NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
522059 | 2l4v | 17258 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 12.598 0.914 17.182 2 H2 MET 1 HT2 MET 1 12.458 2.619 17.037 3 H3 MET 1 HT3 MET 1 14.001 1.872 16.951 4 HA MET 1 HA MET 1 13.399 0.770 14.947 5 HB2 MET 1 HB2 MET 1 10.853 1.079 15.839 6 HB3 MET 1 HB1 MET 1 10.928 2.368 14.645 7 HG2 MET 1 HG2 MET 1 10.126 0.574 13.435 8 HG3 MET 1 HG1 MET 1 11.849 0.565 13.064 9 HE1 MET 1 HE1 MET 1 10.542 -1.265 16.697 10 HE2 MET 1 HE2 MET 1 9.412 -2.165 15.686 11 HE3 MET 1 HE3 MET 1 9.405 -0.401 15.662 12 H ALA 2 HN ALA 2 13.309 1.903 12.796 13 HA ALA 2 HA ALA 2 15.002 4.129 12.792 14 HB1 ALA 2 HB1 ALA 2 13.393 2.715 10.728 15 HB2 ALA 2 HB2 ALA 2 15.136 2.969 10.826 16 HB3 ALA 2 HB3 ALA 2 14.078 4.290 10.328 17 H ASP 3 HN ASP 3 11.493 3.888 12.508 18 HA ASP 3 HA ASP 3 9.834 5.437 12.647 19 HB2 ASP 3 HB2 ASP 3 12.052 6.706 14.198 20 HB3 ASP 3 HB1 ASP 3 10.620 7.665 13.833 21 H GLU 4 HN GLU 4 9.895 5.570 10.314 22 HA GLU 4 HA GLU 4 11.362 7.706 9.062 23 HB2 GLU 4 HB2 GLU 4 10.417 5.362 8.131 24 HB3 GLU 4 HB1 GLU 4 9.112 6.425 7.623 25 HG2 GLU 4 HG2 GLU 4 10.449 6.527 5.787 26 HG3 GLU 4 HG1 GLU 4 11.092 7.885 6.708 27 H GLN 5 HN GLN 5 7.872 7.004 9.075 28 HA GLN 5 HA GLN 5 7.343 9.833 9.619 29 HB2 GLN 5 HB2 GLN 5 5.992 8.301 7.390 30 HB3 GLN 5 HB1 GLN 5 5.703 9.978 7.833 31 HG2 GLN 5 HG2 GLN 5 8.397 9.008 6.945 32 HG3 GLN 5 HG1 GLN 5 7.161 9.534 5.803 33 HE21 GLN 5 HE21 GLN 5 7.049 11.620 5.336 34 HE22 GLN 5 HE22 GLN 5 7.828 12.891 6.208 35 HA PRO 6 HA PRO 6 4.591 6.686 11.844 36 HB2 PRO 6 HB2 PRO 6 5.456 7.166 14.368 37 HB3 PRO 6 HB1 PRO 6 6.201 5.956 13.316 38 HG2 PRO 6 HG2 PRO 6 7.094 8.750 13.919 39 HG3 PRO 6 HG1 PRO 6 8.058 7.265 13.812 40 HD2 PRO 6 HD2 PRO 6 7.926 9.070 11.795 41 HD3 PRO 6 HD1 PRO 6 8.134 7.330 11.510 42 H LYS 7 HN LYS 7 5.569 9.998 12.474 43 HA LYS 7 HA LYS 7 2.783 10.654 13.096 44 HB2 LYS 7 HB2 LYS 7 4.475 10.433 15.144 45 HB3 LYS 7 HB1 LYS 7 4.888 12.070 14.654 46 HG2 LYS 7 HG2 LYS 7 2.892 12.922 15.311 47 HG3 LYS 7 HG1 LYS 7 2.012 11.435 14.951 48 HD2 LYS 7 HD2 LYS 7 2.842 10.391 16.947 49 HD3 LYS 7 HD1 LYS 7 3.918 11.753 17.266 50 HE2 LYS 7 HE2 LYS 7 2.253 13.048 18.090 51 HE3 LYS 7 HE1 LYS 7 1.050 12.393 16.981 52 HZ1 LYS 7 HZ1 LYS 7 1.148 10.315 18.372 53 HZ2 LYS 7 HZ2 LYS 7 0.446 11.662 19.116 54 HZ3 LYS 7 HZ3 LYS 7 2.026 11.206 19.512 55 H LYS 8 HN LYS 8 2.307 11.850 11.351 56 HA LYS 8 HA LYS 8 3.344 14.454 11.072 57 HB2 LYS 8 HB2 LYS 8 4.599 12.329 9.444 58 HB3 LYS 8 HB1 LYS 8 4.127 13.778 8.567 59 HG2 LYS 8 HG2 LYS 8 5.372 14.904 10.660 60 HG3 LYS 8 HG1 LYS 8 6.252 13.377 10.568 61 HD2 LYS 8 HD2 LYS 8 6.722 13.806 8.196 62 HD3 LYS 8 HD1 LYS 8 5.862 15.342 8.310 63 HE2 LYS 8 HE2 LYS 8 7.551 15.750 10.290 64 HE3 LYS 8 HE1 LYS 8 8.511 14.553 9.421 65 HZ1 LYS 8 HZ1 LYS 8 9.231 16.387 8.354 66 HZ2 LYS 8 HZ2 LYS 8 7.835 17.284 8.680 67 HZ3 LYS 8 HZ3 LYS 8 7.838 16.154 7.422 68 HA PRO 9 HA PRO 9 -0.375 15.012 8.784 69 HB2 PRO 9 HB2 PRO 9 0.298 16.811 6.858 70 HB3 PRO 9 HB1 PRO 9 0.120 17.243 8.563 71 HG2 PRO 9 HG2 PRO 9 2.611 16.672 7.004 72 HG3 PRO 9 HG1 PRO 9 2.302 17.954 8.190 73 HD2 PRO 9 HD2 PRO 9 3.664 15.705 8.814 74 HD3 PRO 9 HD1 PRO 9 2.628 16.542 9.987 75 H VAL 10 HN VAL 10 -1.248 15.148 6.413 76 HA VAL 10 HA VAL 10 0.227 13.300 4.673 77 HB VAL 10 HB VAL 10 -1.661 11.929 4.247 78 HG11 VAL 10 HG11 VAL 10 -0.400 11.825 6.558 79 HG12 VAL 10 HG12 VAL 10 -1.773 10.774 6.214 80 HG13 VAL 10 HG13 VAL 10 -1.998 12.229 7.185 81 HG21 VAL 10 HG21 VAL 10 -3.833 12.402 5.560 82 HG22 VAL 10 HG22 VAL 10 -3.497 13.346 4.108 83 HG23 VAL 10 HG23 VAL 10 -3.205 14.045 5.701 84 HA PRO 11 HA PRO 11 -0.960 16.056 1.441 85 HB2 PRO 11 HB2 PRO 11 -0.995 14.426 -0.706 86 HB3 PRO 11 HB1 PRO 11 0.506 14.855 0.125 87 HG2 PRO 11 HG2 PRO 11 -1.141 12.366 0.351 88 HG3 PRO 11 HG1 PRO 11 0.621 12.536 0.252 89 HD2 PRO 11 HD2 PRO 11 -0.718 12.135 2.595 90 HD3 PRO 11 HD1 PRO 11 0.824 13.005 2.491 91 H ALA 12 HN ALA 12 -2.454 15.783 -0.758 92 HA ALA 12 HA ALA 12 -5.126 15.123 0.292 93 HB1 ALA 12 HB1 ALA 12 -6.003 16.778 -1.282 94 HB2 ALA 12 HB2 ALA 12 -4.366 17.107 -1.850 95 HB3 ALA 12 HB3 ALA 12 -4.817 17.493 -0.190 96 H ALA 13 HN ALA 13 -6.170 13.479 -0.607 97 HA ALA 13 HA ALA 13 -5.073 12.081 -2.854 98 HB1 ALA 13 HB1 ALA 13 -6.552 11.305 -0.730 99 HB2 ALA 13 HB2 ALA 13 -6.375 10.360 -2.209 100 HB3 ALA 13 HB3 ALA 13 -7.795 11.382 -1.979 101 H GLU 14 HN GLU 14 -6.920 11.244 -4.478 102 HA GLU 14 HA GLU 14 -8.628 13.425 -5.361 103 HB2 GLU 14 HB2 GLU 14 -6.130 13.363 -6.400 104 HB3 GLU 14 HB1 GLU 14 -6.958 12.299 -7.528 105 HG2 GLU 14 HG2 GLU 14 -8.707 14.356 -7.399 106 HG3 GLU 14 HG1 GLU 14 -7.179 15.199 -7.151 107 H GLU 15 HN GLU 15 -7.285 10.464 -6.830 108 HA GLU 15 HA GLU 15 -9.561 8.872 -6.460 109 HB2 GLU 15 HB2 GLU 15 -9.616 10.674 -8.791 110 HB3 GLU 15 HB1 GLU 15 -9.974 8.991 -9.153 111 HG2 GLU 15 HG2 GLU 15 -11.524 9.380 -6.972 112 HG3 GLU 15 HG1 GLU 15 -11.548 10.988 -7.693 113 H ALA 16 HN ALA 16 -9.574 7.150 -8.485 114 HA ALA 16 HA ALA 16 -6.778 6.242 -8.630 115 HB1 ALA 16 HB1 ALA 16 -7.747 4.478 -7.603 116 HB2 ALA 16 HB2 ALA 16 -8.166 4.029 -9.256 117 HB3 ALA 16 HB3 ALA 16 -9.350 4.849 -8.239 118 HA PRO 17 HA PRO 17 -6.773 6.409 -13.034 119 HB2 PRO 17 HB2 PRO 17 -5.445 4.170 -13.760 120 HB3 PRO 17 HB1 PRO 17 -4.647 5.527 -12.956 121 HG2 PRO 17 HG2 PRO 17 -5.624 2.946 -11.796 122 HG3 PRO 17 HG1 PRO 17 -4.107 3.809 -11.485 123 HD2 PRO 17 HD2 PRO 17 -6.250 3.927 -9.814 124 HD3 PRO 17 HD1 PRO 17 -5.094 5.260 -9.998 125 H ALA 18 HN ALA 18 -7.123 4.909 -15.066 126 HA ALA 18 HA ALA 18 -8.954 2.745 -14.803 127 HB1 ALA 18 HB1 ALA 18 -10.983 3.699 -15.414 128 HB2 ALA 18 HB2 ALA 18 -10.223 5.179 -16.000 129 HB3 ALA 18 HB3 ALA 18 -10.322 4.865 -14.268 130 H ALA 19 HN ALA 19 -7.803 5.368 -16.888 131 HA ALA 19 HA ALA 19 -8.063 3.696 -19.254 132 HB1 ALA 19 HB1 ALA 19 -6.869 5.902 -20.193 133 HB2 ALA 19 HB2 ALA 19 -7.591 6.566 -18.728 134 HB3 ALA 19 HB3 ALA 19 -8.610 5.784 -19.937 135 H GLU 20 HN GLU 20 -6.011 4.194 -20.823 136 HA GLU 20 HA GLU 20 -3.879 3.584 -21.326 137 HB2 GLU 20 HB2 GLU 20 -3.556 5.511 -19.583 138 HB3 GLU 20 HB1 GLU 20 -3.016 4.213 -18.527 139 HG2 GLU 20 HG2 GLU 20 -1.504 3.620 -20.601 140 HG3 GLU 20 HG1 GLU 20 -1.753 5.326 -20.971 141 H ALA 21 HN ALA 21 -4.207 1.394 -21.584 142 HA ALA 21 HA ALA 21 -4.279 -0.427 -19.381 143 HB1 ALA 21 HB1 ALA 21 -3.925 -0.915 -22.335 144 HB2 ALA 21 HB2 ALA 21 -5.435 -0.977 -21.426 145 HB3 ALA 21 HB3 ALA 21 -4.175 -2.174 -21.126 146 H GLU 22 HN GLU 22 -2.727 -2.211 -19.109 147 HA GLU 22 HA GLU 22 0.020 -1.218 -19.400 148 HB2 GLU 22 HB2 GLU 22 -1.364 -2.952 -17.411 149 HB3 GLU 22 HB1 GLU 22 0.345 -3.240 -17.703 150 HG2 GLU 22 HG2 GLU 22 0.659 -0.744 -17.286 151 HG3 GLU 22 HG1 GLU 22 -0.978 -0.774 -16.634 152 H ALA 23 HN ALA 23 1.580 -3.325 -19.273 153 HA ALA 23 HA ALA 23 0.951 -4.791 -21.725 154 HB1 ALA 23 HB1 ALA 23 3.454 -5.504 -21.340 155 HB2 ALA 23 HB2 ALA 23 3.467 -4.077 -20.303 156 HB3 ALA 23 HB3 ALA 23 3.051 -3.923 -22.010 157 H GLU 24 HN GLU 24 2.861 -5.741 -18.882 158 HA GLU 24 HA GLU 24 1.465 -8.329 -18.919 159 HB2 GLU 24 HB2 GLU 24 4.192 -7.535 -17.899 160 HB3 GLU 24 HB1 GLU 24 3.462 -9.100 -17.563 161 HG2 GLU 24 HG2 GLU 24 3.722 -8.151 -20.380 162 HG3 GLU 24 HG1 GLU 24 5.115 -8.833 -19.542 163 H GLU 25 HN GLU 25 1.763 -9.369 -16.544 164 HA GLU 25 HA GLU 25 1.350 -7.560 -14.370 165 HB2 GLU 25 HB2 GLU 25 -0.858 -7.547 -15.656 166 HB3 GLU 25 HB1 GLU 25 -1.051 -9.214 -15.134 167 HG2 GLU 25 HG2 GLU 25 -1.305 -8.627 -12.911 168 HG3 GLU 25 HG1 GLU 25 -0.527 -7.060 -13.133 169 H GLU 26 HN GLU 26 1.397 -8.586 -12.367 170 HA GLU 26 HA GLU 26 2.759 -11.032 -12.239 171 HB2 GLU 26 HB2 GLU 26 2.424 -10.907 -9.829 172 HB3 GLU 26 HB1 GLU 26 2.858 -9.327 -10.468 173 HG2 GLU 26 HG2 GLU 26 0.909 -8.406 -9.866 174 HG3 GLU 26 HG1 GLU 26 -0.023 -9.831 -10.323 175 H GLU 27 HN GLU 27 1.854 -12.820 -10.657 176 HA GLU 27 HA GLU 27 -0.899 -13.486 -11.445 177 HB2 GLU 27 HB2 GLU 27 1.577 -15.154 -11.749 178 HB3 GLU 27 HB1 GLU 27 0.010 -15.922 -11.536 179 HG2 GLU 27 HG2 GLU 27 0.188 -13.829 -13.611 180 HG3 GLU 27 HG1 GLU 27 1.046 -15.338 -13.923 181 H GLY 28 HN GLY 28 -1.912 -13.298 -9.527 182 HA2 GLY 28 HA2 GLY 28 -1.015 -15.084 -7.378 183 HA3 GLY 28 HA1 GLY 28 -1.267 -13.386 -7.000 184 H LEU 29 HN LEU 29 -3.469 -12.521 -7.586 185 HA LEU 29 HA LEU 29 -5.570 -14.553 -7.455 186 HB2 LEU 29 HB2 LEU 29 -5.015 -12.437 -5.418 187 HB3 LEU 29 HB1 LEU 29 -6.673 -12.915 -5.725 188 HG LEU 29 HG LEU 29 -4.638 -15.020 -5.122 189 HD11 LEU 29 HD11 LEU 29 -4.579 -14.642 -2.883 190 HD12 LEU 29 HD12 LEU 29 -6.150 -13.842 -2.862 191 HD13 LEU 29 HD13 LEU 29 -4.726 -12.973 -3.433 192 HD21 LEU 29 HD21 LEU 29 -6.674 -15.962 -5.702 193 HD22 LEU 29 HD22 LEU 29 -7.604 -14.691 -4.908 194 HD23 LEU 29 HD23 LEU 29 -6.764 -15.904 -3.941 195 H HIS 30 HN HIS 30 -7.720 -13.682 -7.924 196 HA HIS 30 HA HIS 30 -7.533 -11.470 -9.840 197 HB2 HIS 30 HB2 HIS 30 -9.345 -13.834 -9.557 198 HB3 HIS 30 HB1 HIS 30 -9.931 -12.406 -10.404 199 HD1 HIS 30 HD1 HIS 30 -7.680 -15.319 -10.763 200 HD2 HIS 30 HD2 HIS 30 -8.546 -11.818 -12.826 201 HE1 HIS 30 HE1 HIS 30 -6.665 -15.615 -13.045 202 HE2 HIS 30 HE2 HIS 30 -7.277 -13.519 -14.303 203 H LEU 31 HN LEU 31 -8.658 -9.614 -9.612 204 HA LEU 31 HA LEU 31 -9.880 -9.096 -7.047 205 HB2 LEU 31 HB2 LEU 31 -9.078 -7.460 -9.405 206 HB3 LEU 31 HB1 LEU 31 -10.278 -6.801 -8.309 207 HG LEU 31 HG LEU 31 -7.964 -6.054 -7.816 208 HD11 LEU 31 HD11 LEU 31 -8.137 -6.267 -5.462 209 HD12 LEU 31 HD12 LEU 31 -9.065 -7.760 -5.597 210 HD13 LEU 31 HD13 LEU 31 -9.784 -6.227 -6.092 211 HD21 LEU 31 HD21 LEU 31 -7.556 -8.987 -7.272 212 HD22 LEU 31 HD22 LEU 31 -6.478 -7.723 -6.679 213 HD23 LEU 31 HD23 LEU 31 -6.680 -7.967 -8.414 214 H GLU 32 HN GLU 32 -11.906 -7.471 -7.330 215 HA GLU 32 HA GLU 32 -13.839 -8.766 -9.127 216 HB2 GLU 32 HB2 GLU 32 -13.938 -9.530 -6.665 217 HB3 GLU 32 HB1 GLU 32 -14.583 -7.928 -6.335 218 HG2 GLU 32 HG2 GLU 32 -16.326 -9.644 -6.604 219 HG3 GLU 32 HG1 GLU 32 -16.464 -8.327 -7.768 220 H ASP 33 HN ASP 33 -14.981 -7.374 -10.305 221 HA ASP 33 HA ASP 33 -15.843 -5.434 -11.121 222 HB2 ASP 33 HB2 ASP 33 -16.117 -5.133 -8.174 223 HB3 ASP 33 HB1 ASP 33 -16.338 -3.686 -9.153 224 H ASP 34 HN ASP 34 -12.963 -5.745 -10.880 225 HA ASP 34 HA ASP 34 -11.060 -4.550 -11.227 226 HB2 ASP 34 HB2 ASP 34 -12.973 -3.269 -12.658 227 HB3 ASP 34 HB1 ASP 34 -12.450 -1.965 -11.597 228 H GLN 35 HN GLN 35 -10.198 -2.060 -10.626 229 HA GLN 35 HA GLN 35 -9.396 -0.780 -8.926 230 HB2 GLN 35 HB2 GLN 35 -12.206 -1.314 -8.033 231 HB3 GLN 35 HB1 GLN 35 -11.097 -0.474 -6.959 232 HG2 GLN 35 HG2 GLN 35 -11.867 0.390 -9.737 233 HG3 GLN 35 HG1 GLN 35 -12.450 1.090 -8.227 234 HE21 GLN 35 HE21 GLN 35 -10.098 1.213 -10.625 235 HE22 GLN 35 HE22 GLN 35 -9.015 2.322 -9.863 236 H GLU 36 HN GLU 36 -9.109 -0.816 -6.379 237 HA GLU 36 HA GLU 36 -8.756 -3.578 -5.461 238 HB2 GLU 36 HB2 GLU 36 -6.586 -1.502 -5.175 239 HB3 GLU 36 HB1 GLU 36 -6.489 -3.216 -4.796 240 HG2 GLU 36 HG2 GLU 36 -7.026 -2.273 -7.585 241 HG3 GLU 36 HG1 GLU 36 -5.386 -2.372 -6.946 242 HA PRO 37 HA PRO 37 -10.965 -1.111 -2.240 243 HB2 PRO 37 HB2 PRO 37 -11.297 -3.928 -1.318 244 HB3 PRO 37 HB1 PRO 37 -12.487 -2.623 -1.401 245 HG2 PRO 37 HG2 PRO 37 -12.499 -4.582 -3.202 246 HG3 PRO 37 HG1 PRO 37 -12.835 -2.907 -3.678 247 HD2 PRO 37 HD2 PRO 37 -10.368 -4.536 -4.082 248 HD3 PRO 37 HD1 PRO 37 -11.096 -3.306 -5.135 249 H ARG 38 HN ARG 38 -10.714 -1.161 0.155 250 HA ARG 38 HA ARG 38 -7.954 -1.890 0.857 251 HB2 ARG 38 HB2 ARG 38 -8.087 -0.169 2.581 252 HB3 ARG 38 HB1 ARG 38 -8.479 0.504 1.005 253 HG2 ARG 38 HG2 ARG 38 -10.193 1.426 2.121 254 HG3 ARG 38 HG1 ARG 38 -10.945 -0.149 1.863 255 HD2 ARG 38 HD2 ARG 38 -10.243 -0.888 4.050 256 HD3 ARG 38 HD1 ARG 38 -9.344 0.607 4.304 257 HE ARG 38 HE ARG 38 -11.301 1.643 4.879 258 HH11 ARG 38 HH11 ARG 38 -12.051 -1.359 3.265 259 HH12 ARG 38 HH12 ARG 38 -13.746 -1.264 3.607 260 HH21 ARG 38 HH21 ARG 38 -13.530 1.770 5.330 261 HH22 ARG 38 HH22 ARG 38 -14.586 0.512 4.779 262 H GLU 39 HN GLU 39 -7.932 -1.933 3.510 263 HA GLU 39 HA GLU 39 -9.997 -3.867 4.319 264 HB2 GLU 39 HB2 GLU 39 -7.578 -4.742 3.707 265 HB3 GLU 39 HB1 GLU 39 -7.202 -4.174 5.327 266 HG2 GLU 39 HG2 GLU 39 -9.625 -5.748 5.288 267 HG3 GLU 39 HG1 GLU 39 -8.255 -6.637 4.624 268 H HIS 40 HN HIS 40 -9.749 -4.267 6.813 269 HA HIS 40 HA HIS 40 -9.657 -1.606 8.059 270 HB2 HIS 40 HB2 HIS 40 -11.075 -2.659 9.841 271 HB3 HIS 40 HB1 HIS 40 -11.830 -2.611 8.252 272 HD1 HIS 40 HD1 HIS 40 -11.984 -4.908 6.959 273 HD2 HIS 40 HD2 HIS 40 -10.721 -5.176 10.909 274 HE1 HIS 40 HE1 HIS 40 -12.209 -7.336 7.574 275 HE2 HIS 40 HE2 HIS 40 -11.521 -7.459 9.994 276 HA PRO 41 HA PRO 41 -5.941 -3.655 9.837 277 HB2 PRO 41 HB2 PRO 41 -4.556 -1.348 10.199 278 HB3 PRO 41 HB1 PRO 41 -4.583 -2.221 8.662 279 HG2 PRO 41 HG2 PRO 41 -6.166 0.176 9.508 280 HG3 PRO 41 HG1 PRO 41 -5.354 -0.141 7.964 281 HD2 PRO 41 HD2 PRO 41 -8.018 -0.474 8.299 282 HD3 PRO 41 HD1 PRO 41 -7.063 -1.485 7.196 283 H ILE 42 HN ILE 42 -4.909 -3.373 11.949 284 HA ILE 42 HA ILE 42 -6.721 -2.086 13.884 285 HB ILE 42 HB ILE 42 -6.688 -4.542 14.061 286 HG12 ILE 42 HG12 ILE 42 -5.289 -3.256 16.413 287 HG13 ILE 42 HG11 ILE 42 -7.002 -3.055 16.060 288 HG21 ILE 42 HG21 ILE 42 -4.057 -4.383 13.437 289 HG22 ILE 42 HG22 ILE 42 -4.829 -5.799 14.149 290 HG23 ILE 42 HG23 ILE 42 -3.976 -4.649 15.178 291 HD11 ILE 42 HD11 ILE 42 -5.798 -5.052 17.588 292 HD12 ILE 42 HD12 ILE 42 -6.318 -5.840 16.098 293 HD13 ILE 42 HD13 ILE 42 -7.484 -4.955 17.081 294 H MET 43 HN MET 43 -5.730 -1.264 15.852 295 HA MET 43 HA MET 43 -3.577 0.445 15.364 296 HB2 MET 43 HB2 MET 43 -3.551 0.768 17.846 297 HB3 MET 43 HB1 MET 43 -5.134 0.967 17.108 298 HG2 MET 43 HG2 MET 43 -5.217 -1.652 17.746 299 HG3 MET 43 HG1 MET 43 -4.176 -1.037 19.029 300 HE1 MET 43 HE1 MET 43 -7.795 -1.873 20.059 301 HE2 MET 43 HE2 MET 43 -6.948 -2.402 18.605 302 HE3 MET 43 HE3 MET 43 -8.337 -1.323 18.473 303 H GLY 44 HN GLY 44 -1.503 0.497 16.596 304 HA2 GLY 44 HA2 GLY 44 -0.173 -1.382 17.934 305 HA3 GLY 44 HA1 GLY 44 -0.195 -2.091 16.327 306 H GLY 45 HN GLY 45 1.986 -0.974 18.111 307 HA2 GLY 45 HA2 GLY 45 2.996 1.397 16.976 308 HA3 GLY 45 HA1 GLY 45 3.940 0.203 17.854 309 H ILE 46 HN ILE 46 5.565 0.944 16.222 310 HA ILE 46 HA ILE 46 5.222 0.108 13.498 311 HB ILE 46 HB ILE 46 7.809 0.832 14.871 312 HG12 ILE 46 HG12 ILE 46 6.105 2.600 15.183 313 HG13 ILE 46 HG11 ILE 46 7.423 3.124 14.140 314 HG21 ILE 46 HG21 ILE 46 8.305 1.621 12.478 315 HG22 ILE 46 HG22 ILE 46 6.932 0.616 12.013 316 HG23 ILE 46 HG23 ILE 46 8.329 -0.112 12.804 317 HD11 ILE 46 HD11 ILE 46 6.064 3.448 12.405 318 HD12 ILE 46 HD12 ILE 46 4.769 3.405 13.601 319 HD13 ILE 46 HD13 ILE 46 5.180 1.950 12.693 320 H TYR 47 HN TYR 47 4.584 -2.127 14.486 321 HA TYR 47 HA TYR 47 6.516 -3.991 13.684 322 HB2 TYR 47 HB2 TYR 47 7.337 -3.126 16.037 323 HB3 TYR 47 HB1 TYR 47 6.115 -4.241 16.637 324 HD1 TYR 47 HD1 TYR 47 9.296 -3.962 14.817 325 HD2 TYR 47 HD2 TYR 47 6.418 -6.625 16.470 326 HE1 TYR 47 HE1 TYR 47 10.885 -5.823 14.574 327 HE2 TYR 47 HE2 TYR 47 8.000 -8.492 16.232 328 HH TYR 47 HH TYR 47 10.074 -8.955 14.632 329 H ASP 48 HN ASP 48 3.899 -3.615 16.071 330 HA ASP 48 HA ASP 48 2.822 -6.189 15.777 331 HB2 ASP 48 HB2 ASP 48 1.257 -3.704 16.483 332 HB3 ASP 48 HB1 ASP 48 0.898 -5.365 16.946 333 H ALA 49 HN ALA 49 2.112 -7.041 13.938 334 HA ALA 49 HA ALA 49 -0.100 -6.017 12.541 335 HB1 ALA 49 HB1 ALA 49 0.877 -5.343 10.444 336 HB2 ALA 49 HB2 ALA 49 2.497 -5.707 11.040 337 HB3 ALA 49 HB3 ALA 49 1.577 -4.378 11.744 338 HA PRO 50 HA PRO 50 1.089 -10.522 12.002 339 HB2 PRO 50 HB2 PRO 50 -1.362 -11.470 12.761 340 HB3 PRO 50 HB1 PRO 50 -0.024 -11.204 13.884 341 HG2 PRO 50 HG2 PRO 50 -2.383 -9.458 13.300 342 HG3 PRO 50 HG1 PRO 50 -1.640 -9.850 14.862 343 HD2 PRO 50 HD2 PRO 50 -1.174 -7.513 13.608 344 HD3 PRO 50 HD1 PRO 50 0.077 -8.329 14.568 345 H LEU 51 HN LEU 51 -1.595 -8.513 11.017 346 HA LEU 51 HA LEU 51 -2.853 -8.429 9.127 347 HB2 LEU 51 HB2 LEU 51 -0.312 -8.819 8.300 348 HB3 LEU 51 HB1 LEU 51 -1.074 -10.238 7.609 349 HG LEU 51 HG LEU 51 -2.803 -8.220 6.881 350 HD11 LEU 51 HD11 LEU 51 -0.128 -7.096 7.314 351 HD12 LEU 51 HD12 LEU 51 -1.694 -6.295 7.190 352 HD13 LEU 51 HD13 LEU 51 -0.826 -6.765 5.729 353 HD21 LEU 51 HD21 LEU 51 -0.460 -9.322 5.334 354 HD22 LEU 51 HD22 LEU 51 -1.878 -8.534 4.643 355 HD23 LEU 51 HD23 LEU 51 -2.048 -10.074 5.485 356 H ASN 52 HN ASN 52 -4.466 -9.709 10.220 357 HA ASN 52 HA ASN 52 -4.617 -12.500 10.132 358 HB2 ASN 52 HB2 ASN 52 -6.086 -10.648 11.355 359 HB3 ASN 52 HB1 ASN 52 -7.135 -10.913 9.965 360 HD21 ASN 52 HD21 ASN 52 -7.338 -11.559 12.892 361 HD22 ASN 52 HD22 ASN 52 -7.754 -13.235 12.934 362 H ASN 53 HN ASN 53 -5.616 -10.055 7.810 363 HA ASN 53 HA ASN 53 -6.747 -12.071 6.044 364 HB2 ASN 53 HB2 ASN 53 -6.663 -9.075 6.010 365 HB3 ASN 53 HB1 ASN 53 -7.121 -9.977 4.572 366 HD21 ASN 53 HD21 ASN 53 -8.638 -11.963 5.436 367 HD22 ASN 53 HD22 ASN 53 -10.034 -11.382 6.272 368 H GLU 54 HN GLU 54 -4.173 -12.669 6.344 369 HA GLU 54 HA GLU 54 -2.653 -11.447 4.173 370 HB2 GLU 54 HB2 GLU 54 -0.753 -12.696 5.038 371 HB3 GLU 54 HB1 GLU 54 -1.539 -11.809 6.337 372 HG2 GLU 54 HG2 GLU 54 -2.142 -13.676 7.429 373 HG3 GLU 54 HG1 GLU 54 -2.481 -14.565 5.944 374 H ASN 55 HN ASN 55 -5.010 -13.430 3.942 375 HA ASN 55 HA ASN 55 -4.095 -15.875 2.958 376 HB2 ASN 55 HB2 ASN 55 -6.524 -14.401 1.932 377 HB3 ASN 55 HB1 ASN 55 -6.262 -16.142 1.975 378 HD21 ASN 55 HD21 ASN 55 -7.309 -13.380 3.692 379 HD22 ASN 55 HD22 ASN 55 -7.756 -14.179 5.157 380 H GLY 56 HN GLY 56 -4.250 -12.723 1.456 381 HA2 GLY 56 HA2 GLY 56 -2.433 -12.614 -0.340 382 HA3 GLY 56 HA1 GLY 56 -3.352 -13.909 -1.090 383 H PHE 57 HN PHE 57 -5.948 -12.978 -0.608 384 HA PHE 57 HA PHE 57 -6.293 -11.218 -2.776 385 HB2 PHE 57 HB2 PHE 57 -8.007 -12.835 -2.008 386 HB3 PHE 57 HB1 PHE 57 -8.257 -11.857 -0.565 387 HD1 PHE 57 HD1 PHE 57 -8.383 -11.675 -4.277 388 HD2 PHE 57 HD2 PHE 57 -9.839 -10.168 -0.573 389 HE1 PHE 57 HE1 PHE 57 -10.054 -10.332 -5.484 390 HE2 PHE 57 HE2 PHE 57 -11.513 -8.823 -1.773 391 HZ PHE 57 HZ PHE 57 -11.622 -8.904 -4.232 392 H ASP 58 HN ASP 58 -6.780 -10.658 0.713 393 HA ASP 58 HA ASP 58 -7.359 -7.930 0.531 394 HB2 ASP 58 HB2 ASP 58 -6.470 -9.767 2.690 395 HB3 ASP 58 HB1 ASP 58 -6.269 -8.041 2.978 396 H LYS 59 HN LYS 59 -4.253 -9.508 1.298 397 HA LYS 59 HA LYS 59 -2.710 -7.204 1.507 398 HB2 LYS 59 HB2 LYS 59 -0.800 -8.602 1.301 399 HB3 LYS 59 HB1 LYS 59 -2.032 -9.564 2.104 400 HG2 LYS 59 HG2 LYS 59 -2.520 -10.726 0.044 401 HG3 LYS 59 HG1 LYS 59 -1.375 -9.708 -0.831 402 HD2 LYS 59 HD2 LYS 59 0.120 -10.710 1.266 403 HD3 LYS 59 HD1 LYS 59 -0.903 -12.070 0.803 404 HE2 LYS 59 HE2 LYS 59 -0.118 -11.182 -1.627 405 HE3 LYS 59 HE1 LYS 59 1.293 -10.764 -0.658 406 HZ1 LYS 59 HZ1 LYS 59 1.598 -12.996 -0.038 407 HZ2 LYS 59 HZ2 LYS 59 1.293 -13.038 -1.701 408 HZ3 LYS 59 HZ3 LYS 59 0.074 -13.462 -0.607 409 H GLU 60 HN GLU 60 -3.557 -9.109 -1.344 410 HA GLU 60 HA GLU 60 -1.898 -7.745 -3.172 411 HB2 GLU 60 HB2 GLU 60 -4.259 -9.548 -3.376 412 HB3 GLU 60 HB1 GLU 60 -3.827 -8.605 -4.796 413 HG2 GLU 60 HG2 GLU 60 -1.413 -9.623 -4.043 414 HG3 GLU 60 HG1 GLU 60 -2.517 -10.927 -3.607 415 H ASP 61 HN ASP 61 -5.294 -7.285 -2.253 416 HA ASP 61 HA ASP 61 -5.901 -5.233 -4.054 417 HB2 ASP 61 HB2 ASP 61 -7.007 -5.799 -1.297 418 HB3 ASP 61 HB1 ASP 61 -7.703 -4.633 -2.417 419 H LEU 62 HN LEU 62 -4.668 -5.074 -0.728 420 HA LEU 62 HA LEU 62 -4.596 -2.259 -0.561 421 HB2 LEU 62 HB2 LEU 62 -4.525 -3.601 1.433 422 HB3 LEU 62 HB1 LEU 62 -3.048 -4.386 0.909 423 HG LEU 62 HG LEU 62 -1.739 -2.475 1.343 424 HD11 LEU 62 HD11 LEU 62 -3.275 -0.844 0.297 425 HD12 LEU 62 HD12 LEU 62 -2.610 -0.285 1.831 426 HD13 LEU 62 HD13 LEU 62 -4.266 -0.886 1.755 427 HD21 LEU 62 HD21 LEU 62 -2.176 -1.989 3.672 428 HD22 LEU 62 HD22 LEU 62 -2.479 -3.695 3.346 429 HD23 LEU 62 HD23 LEU 62 -3.831 -2.575 3.509 430 H ALA 63 HN ALA 63 -1.997 -4.610 -1.208 431 HA ALA 63 HA ALA 63 0.092 -2.842 -1.606 432 HB1 ALA 63 HB1 ALA 63 0.322 -5.297 -1.486 433 HB2 ALA 63 HB2 ALA 63 1.184 -4.597 -2.857 434 HB3 ALA 63 HB3 ALA 63 -0.356 -5.418 -3.109 435 H ARG 64 HN ARG 64 -2.055 -4.205 -4.110 436 HA ARG 64 HA ARG 64 -1.009 -2.687 -6.236 437 HB2 ARG 64 HB2 ARG 64 -2.653 -4.765 -6.166 438 HB3 ARG 64 HB1 ARG 64 -3.880 -3.508 -6.242 439 HG2 ARG 64 HG2 ARG 64 -1.643 -3.879 -8.224 440 HG3 ARG 64 HG1 ARG 64 -3.316 -4.393 -8.453 441 HD2 ARG 64 HD2 ARG 64 -3.670 -1.792 -7.794 442 HD3 ARG 64 HD1 ARG 64 -2.113 -1.711 -8.618 443 HE ARG 64 HE ARG 64 -4.657 -2.111 -9.819 444 HH11 ARG 64 HH11 ARG 64 -1.292 -2.995 -10.097 445 HH12 ARG 64 HH12 ARG 64 -1.379 -3.279 -11.803 446 HH21 ARG 64 HH21 ARG 64 -4.773 -2.485 -12.063 447 HH22 ARG 64 HH22 ARG 64 -3.354 -2.989 -12.919 448 H PHE 65 HN PHE 65 -3.589 -2.071 -3.928 449 HA PHE 65 HA PHE 65 -4.721 0.186 -5.137 450 HB2 PHE 65 HB2 PHE 65 -5.805 -0.971 -3.284 451 HB3 PHE 65 HB1 PHE 65 -4.494 -0.515 -2.201 452 HD1 PHE 65 HD2 PHE 65 -7.022 1.038 -4.460 453 HD2 PHE 65 HD1 PHE 65 -4.757 1.337 -0.869 454 HE1 PHE 65 HE2 PHE 65 -8.230 3.100 -3.875 455 HE2 PHE 65 HE1 PHE 65 -5.961 3.400 -0.277 456 HZ PHE 65 HZ PHE 65 -7.700 4.284 -1.782 457 H ALA 66 HN ALA 66 -2.266 0.020 -2.552 458 HA ALA 66 HA ALA 66 -1.759 2.770 -2.411 459 HB1 ALA 66 HB1 ALA 66 -0.981 1.466 -0.622 460 HB2 ALA 66 HB2 ALA 66 0.480 2.012 -1.447 461 HB3 ALA 66 HB3 ALA 66 -0.108 0.367 -1.690 462 H VAL 67 HN VAL 67 0.064 0.233 -4.128 463 HA VAL 67 HA VAL 67 1.983 1.819 -5.327 464 HB VAL 67 HB VAL 67 0.664 -0.584 -6.597 465 HG11 VAL 67 HG11 VAL 67 2.028 0.518 -8.198 466 HG12 VAL 67 HG12 VAL 67 2.952 -0.864 -7.607 467 HG13 VAL 67 HG13 VAL 67 3.324 0.760 -7.027 468 HG21 VAL 67 HG21 VAL 67 3.200 -1.008 -5.223 469 HG22 VAL 67 HG22 VAL 67 1.705 -1.942 -5.159 470 HG23 VAL 67 HG23 VAL 67 1.898 -0.517 -4.139 471 H ARG 68 HN ARG 68 -1.127 0.802 -6.743 472 HA ARG 68 HA ARG 68 -0.893 2.371 -9.071 473 HB2 ARG 68 HB2 ARG 68 -2.423 0.504 -8.994 474 HB3 ARG 68 HB1 ARG 68 -3.325 1.241 -7.677 475 HG2 ARG 68 HG2 ARG 68 -4.173 2.944 -9.103 476 HG3 ARG 68 HG1 ARG 68 -3.083 2.474 -10.410 477 HD2 ARG 68 HD2 ARG 68 -4.863 0.357 -9.387 478 HD3 ARG 68 HD1 ARG 68 -5.655 1.684 -10.238 479 HE ARG 68 HE ARG 68 -3.388 0.603 -11.636 480 HH11 ARG 68 HH11 ARG 68 -6.816 0.282 -11.065 481 HH12 ARG 68 HH12 ARG 68 -7.115 -0.539 -12.559 482 HH21 ARG 68 HH21 ARG 68 -3.779 -0.478 -13.602 483 HH22 ARG 68 HH22 ARG 68 -5.391 -0.972 -14.000 484 H GLU 69 HN GLU 69 -2.016 3.082 -5.848 485 HA GLU 69 HA GLU 69 -3.466 5.433 -6.410 486 HB2 GLU 69 HB2 GLU 69 -3.645 4.256 -4.270 487 HB3 GLU 69 HB1 GLU 69 -1.972 4.651 -3.900 488 HG2 GLU 69 HG2 GLU 69 -3.504 6.104 -2.707 489 HG3 GLU 69 HG1 GLU 69 -2.525 7.019 -3.853 490 H TYR 70 HN TYR 70 -0.061 4.882 -5.601 491 HA TYR 70 HA TYR 70 0.521 7.718 -5.872 492 HB2 TYR 70 HB2 TYR 70 2.487 7.306 -4.775 493 HB3 TYR 70 HB1 TYR 70 1.563 5.921 -4.206 494 HD1 TYR 70 HD2 TYR 70 4.193 7.010 -6.552 495 HD2 TYR 70 HD1 TYR 70 2.180 3.695 -4.806 496 HE1 TYR 70 HE2 TYR 70 5.922 5.503 -7.438 497 HE2 TYR 70 HE1 TYR 70 3.903 2.177 -5.689 498 HH TYR 70 HH TYR 70 6.179 2.225 -6.461 499 H ASN 71 HN ASN 71 0.541 4.898 -7.807 500 HA ASN 71 HA ASN 71 2.525 5.865 -9.674 501 HB2 ASN 71 HB2 ASN 71 0.819 3.414 -9.467 502 HB3 ASN 71 HB1 ASN 71 1.565 3.819 -11.010 503 HD21 ASN 71 HD21 ASN 71 3.942 4.306 -10.876 504 HD22 ASN 71 HD22 ASN 71 4.890 3.288 -9.851 505 H ASN 72 HN ASN 72 -0.927 5.987 -9.314 506 HA ASN 72 HA ASN 72 -1.401 6.669 -12.080 507 HB2 ASN 72 HB2 ASN 72 -3.674 6.606 -11.584 508 HB3 ASN 72 HB1 ASN 72 -3.009 5.444 -10.443 509 HD21 ASN 72 HD21 ASN 72 -2.944 5.953 -8.258 510 HD22 ASN 72 HD22 ASN 72 -3.858 7.258 -7.590 511 H LYS 73 HN LYS 73 -1.092 8.353 -9.014 512 HA LYS 73 HA LYS 73 -2.100 10.836 -9.640 513 HB2 LYS 73 HB2 LYS 73 -0.222 11.692 -8.069 514 HB3 LYS 73 HB1 LYS 73 -1.453 10.614 -7.427 515 HG2 LYS 73 HG2 LYS 73 0.026 8.760 -7.478 516 HG3 LYS 73 HG1 LYS 73 1.228 9.664 -8.400 517 HD2 LYS 73 HD2 LYS 73 0.946 11.269 -6.242 518 HD3 LYS 73 HD1 LYS 73 0.633 9.692 -5.514 519 HE2 LYS 73 HE2 LYS 73 2.756 8.941 -5.896 520 HE3 LYS 73 HE1 LYS 73 2.968 9.942 -7.332 521 HZ1 LYS 73 HZ1 LYS 73 4.299 11.050 -5.886 522 HZ2 LYS 73 HZ2 LYS 73 3.406 10.608 -4.520 523 HZ3 LYS 73 HZ3 LYS 73 2.846 11.841 -5.533 524 H ASN 74 HN ASN 74 1.132 9.569 -10.371 525 HA ASN 74 HA ASN 74 1.408 11.076 -12.718 526 HB2 ASN 74 HB2 ASN 74 2.912 12.815 -12.133 527 HB3 ASN 74 HB1 ASN 74 1.596 12.915 -10.970 528 HD21 ASN 74 HD21 ASN 74 2.059 11.364 -9.004 529 HD22 ASN 74 HD22 ASN 74 3.618 11.579 -8.292 530 H ASN 75 HN ASN 75 3.057 9.506 -10.032 531 HA ASN 75 HA ASN 75 5.526 8.967 -11.061 532 HB2 ASN 75 HB2 ASN 75 4.075 8.083 -8.889 533 HB3 ASN 75 HB1 ASN 75 4.357 6.601 -9.796 534 HD21 ASN 75 HD21 ASN 75 6.398 5.778 -9.946 535 HD22 ASN 75 HD22 ASN 75 7.740 6.399 -9.053 536 H ALA 76 HN ALA 76 6.343 6.770 -11.828 537 HA ALA 76 HA ALA 76 5.402 6.270 -14.403 538 HB1 ALA 76 HB1 ALA 76 6.733 3.989 -13.881 539 HB2 ALA 76 HB2 ALA 76 7.348 5.011 -12.582 540 HB3 ALA 76 HB3 ALA 76 7.524 5.519 -14.262 541 H LEU 77 HN LEU 77 5.066 3.701 -14.933 542 HA LEU 77 HA LEU 77 2.716 2.886 -13.353 543 HB2 LEU 77 HB2 LEU 77 2.832 3.606 -16.065 544 HB3 LEU 77 HB1 LEU 77 2.677 1.859 -16.051 545 HG LEU 77 HG LEU 77 0.484 2.818 -16.197 546 HD11 LEU 77 HD11 LEU 77 1.202 1.597 -13.560 547 HD12 LEU 77 HD12 LEU 77 0.375 0.870 -14.937 548 HD13 LEU 77 HD13 LEU 77 -0.461 2.051 -13.929 549 HD21 LEU 77 HD21 LEU 77 1.493 4.575 -14.024 550 HD22 LEU 77 HD22 LEU 77 -0.223 4.168 -14.038 551 HD23 LEU 77 HD23 LEU 77 0.506 4.967 -15.432 552 H LEU 78 HN LEU 78 3.894 1.460 -12.065 553 HA LEU 78 HA LEU 78 5.150 -0.808 -13.454 554 HB2 LEU 78 HB2 LEU 78 5.976 -1.238 -10.994 555 HB3 LEU 78 HB1 LEU 78 6.792 -0.091 -12.038 556 HG LEU 78 HG LEU 78 5.520 1.748 -10.958 557 HD11 LEU 78 HD11 LEU 78 4.304 -0.555 -9.543 558 HD12 LEU 78 HD12 LEU 78 3.588 0.976 -10.047 559 HD13 LEU 78 HD13 LEU 78 4.607 0.910 -8.610 560 HD21 LEU 78 HD21 LEU 78 7.537 1.741 -9.960 561 HD22 LEU 78 HD22 LEU 78 7.481 0.012 -9.617 562 HD23 LEU 78 HD23 LEU 78 6.629 1.147 -8.570 563 H GLU 79 HN GLU 79 5.057 -2.822 -11.759 564 HA GLU 79 HA GLU 79 2.282 -3.114 -10.853 565 HB2 GLU 79 HB2 GLU 79 2.347 -5.467 -11.845 566 HB3 GLU 79 HB1 GLU 79 2.141 -4.131 -12.969 567 HG2 GLU 79 HG2 GLU 79 4.927 -4.887 -12.506 568 HG3 GLU 79 HG1 GLU 79 3.941 -6.151 -13.237 569 H PHE 80 HN PHE 80 2.073 -4.149 -8.961 570 HA PHE 80 HA PHE 80 4.472 -4.983 -7.585 571 HB2 PHE 80 HB2 PHE 80 3.311 -4.645 -5.663 572 HB3 PHE 80 HB1 PHE 80 2.237 -3.739 -6.719 573 HD1 PHE 80 HD1 PHE 80 0.171 -4.870 -7.602 574 HD2 PHE 80 HD2 PHE 80 2.574 -6.547 -4.517 575 HE1 PHE 80 HE1 PHE 80 -1.696 -6.336 -6.951 576 HE2 PHE 80 HE2 PHE 80 0.714 -8.017 -3.860 577 HZ PHE 80 HZ PHE 80 -1.425 -7.912 -5.078 578 H VAL 81 HN VAL 81 4.840 -7.048 -6.690 579 HA VAL 81 HA VAL 81 3.492 -9.202 -8.162 580 HB VAL 81 HB VAL 81 5.463 -10.592 -7.410 581 HG11 VAL 81 HG11 VAL 81 6.119 -8.188 -9.109 582 HG12 VAL 81 HG12 VAL 81 5.250 -9.617 -9.668 583 HG13 VAL 81 HG13 VAL 81 6.927 -9.755 -9.140 584 HG21 VAL 81 HG21 VAL 81 7.425 -9.525 -6.578 585 HG22 VAL 81 HG22 VAL 81 6.085 -9.030 -5.545 586 HG23 VAL 81 HG23 VAL 81 6.709 -7.925 -6.769 587 H ARG 82 HN ARG 82 4.414 -8.134 -4.936 588 HA ARG 82 HA ARG 82 2.263 -9.256 -3.616 589 HB2 ARG 82 HB2 ARG 82 3.357 -11.172 -2.439 590 HB3 ARG 82 HB1 ARG 82 3.048 -11.448 -4.148 591 HG2 ARG 82 HG2 ARG 82 5.480 -10.567 -4.425 592 HG3 ARG 82 HG1 ARG 82 5.625 -11.035 -2.731 593 HD2 ARG 82 HD2 ARG 82 5.205 -13.287 -3.196 594 HD3 ARG 82 HD1 ARG 82 4.507 -12.924 -4.774 595 HE ARG 82 HE ARG 82 7.246 -12.160 -4.634 596 HH11 ARG 82 HH11 ARG 82 5.138 -14.912 -5.042 597 HH12 ARG 82 HH12 ARG 82 6.304 -15.831 -5.932 598 HH21 ARG 82 HH21 ARG 82 8.781 -13.368 -5.805 599 HH22 ARG 82 HH22 ARG 82 8.373 -14.955 -6.365 600 H VAL 83 HN VAL 83 2.569 -9.320 -1.207 601 HA VAL 83 HA VAL 83 4.267 -7.097 -0.440 602 HB VAL 83 HB VAL 83 3.060 -7.026 1.614 603 HG11 VAL 83 HG11 VAL 83 0.604 -7.503 0.412 604 HG12 VAL 83 HG12 VAL 83 1.683 -7.111 -0.926 605 HG13 VAL 83 HG13 VAL 83 1.501 -5.986 0.419 606 HG21 VAL 83 HG21 VAL 83 2.862 -9.187 2.405 607 HG22 VAL 83 HG22 VAL 83 2.217 -9.798 0.882 608 HG23 VAL 83 HG23 VAL 83 1.201 -8.819 1.940 609 H VAL 84 HN VAL 84 5.888 -7.167 1.091 610 HA VAL 84 HA VAL 84 6.790 -9.859 1.880 611 HB VAL 84 HB VAL 84 8.276 -8.892 0.195 612 HG11 VAL 84 HG11 VAL 84 7.759 -6.487 1.448 613 HG12 VAL 84 HG12 VAL 84 8.950 -6.769 0.179 614 HG13 VAL 84 HG13 VAL 84 9.438 -6.824 1.872 615 HG21 VAL 84 HG21 VAL 84 10.361 -9.208 1.360 616 HG22 VAL 84 HG22 VAL 84 9.171 -10.344 1.995 617 HG23 VAL 84 HG23 VAL 84 9.585 -8.896 2.913 618 H LYS 85 HN LYS 85 5.816 -6.788 2.975 619 HA LYS 85 HA LYS 85 6.510 -7.531 5.703 620 HB2 LYS 85 HB2 LYS 85 7.143 -4.737 4.800 621 HB3 LYS 85 HB1 LYS 85 7.675 -5.570 6.253 622 HG2 LYS 85 HG2 LYS 85 8.949 -7.126 4.673 623 HG3 LYS 85 HG1 LYS 85 8.654 -5.896 3.442 624 HD2 LYS 85 HD2 LYS 85 9.777 -4.229 4.811 625 HD3 LYS 85 HD1 LYS 85 10.019 -5.419 6.091 626 HE2 LYS 85 HE2 LYS 85 11.124 -6.714 3.992 627 HE3 LYS 85 HE1 LYS 85 11.462 -5.040 3.551 628 HZ1 LYS 85 HZ1 LYS 85 12.370 -6.545 5.919 629 HZ2 LYS 85 HZ2 LYS 85 12.311 -4.855 5.950 630 HZ3 LYS 85 HZ3 LYS 85 13.284 -5.646 4.815 631 H ALA 86 HN ALA 86 5.248 -6.499 7.297 632 HA ALA 86 HA ALA 86 3.127 -4.704 6.415 633 HB1 ALA 86 HB1 ALA 86 1.627 -6.377 7.918 634 HB2 ALA 86 HB2 ALA 86 2.722 -7.524 7.148 635 HB3 ALA 86 HB3 ALA 86 1.731 -6.451 6.159 636 H LYS 87 HN LYS 87 2.729 -3.183 7.893 637 HA LYS 87 HA LYS 87 3.269 -3.728 10.717 638 HB2 LYS 87 HB2 LYS 87 4.567 -1.606 9.041 639 HB3 LYS 87 HB1 LYS 87 4.305 -1.337 10.759 640 HG2 LYS 87 HG2 LYS 87 6.326 -2.265 10.983 641 HG3 LYS 87 HG1 LYS 87 5.458 -3.790 10.790 642 HD2 LYS 87 HD2 LYS 87 5.863 -3.082 8.199 643 HD3 LYS 87 HD1 LYS 87 7.309 -2.419 8.963 644 HE2 LYS 87 HE2 LYS 87 6.415 -5.224 9.525 645 HE3 LYS 87 HE1 LYS 87 7.362 -4.848 8.086 646 HZ1 LYS 87 HZ1 LYS 87 8.950 -3.724 9.721 647 HZ2 LYS 87 HZ2 LYS 87 8.941 -5.414 9.667 648 HZ3 LYS 87 HZ3 LYS 87 8.145 -4.605 10.921 649 H GLU 88 HN GLU 88 2.170 -2.336 12.174 650 HA GLU 88 HA GLU 88 -0.094 -0.914 10.937 651 HB2 GLU 88 HB2 GLU 88 0.053 -2.145 13.694 652 HB3 GLU 88 HB1 GLU 88 -1.357 -1.386 12.968 653 HG2 GLU 88 HG2 GLU 88 -0.211 -3.560 11.382 654 HG3 GLU 88 HG1 GLU 88 -0.829 -4.050 12.958 655 H GLN 89 HN GLN 89 -0.802 1.050 11.865 656 HA GLN 89 HA GLN 89 0.812 2.301 13.922 657 HB2 GLN 89 HB2 GLN 89 2.093 2.774 11.884 658 HB3 GLN 89 HB1 GLN 89 0.658 3.459 11.132 659 HG2 GLN 89 HG2 GLN 89 1.062 5.437 12.030 660 HG3 GLN 89 HG1 GLN 89 1.139 4.741 13.647 661 HE21 GLN 89 HE21 GLN 89 3.233 4.072 10.894 662 HE22 GLN 89 HE22 GLN 89 4.684 4.664 11.621 663 H VAL 90 HN VAL 90 -0.211 4.027 14.930 664 HA VAL 90 HA VAL 90 -3.004 4.470 14.096 665 HB VAL 90 HB VAL 90 -1.903 4.790 16.888 666 HG11 VAL 90 HG11 VAL 90 -4.415 4.549 17.384 667 HG12 VAL 90 HG12 VAL 90 -4.641 4.922 15.675 668 HG13 VAL 90 HG13 VAL 90 -3.837 6.082 16.731 669 HG21 VAL 90 HG21 VAL 90 -3.314 2.447 15.622 670 HG22 VAL 90 HG22 VAL 90 -3.129 2.662 17.363 671 HG23 VAL 90 HG23 VAL 90 -1.704 2.472 16.342 672 H VAL 91 HN VAL 91 -3.447 6.429 13.361 673 HA VAL 91 HA VAL 91 -2.447 8.798 14.639 674 HB VAL 91 HB VAL 91 -1.548 9.720 12.417 675 HG11 VAL 91 HG11 VAL 91 0.580 9.333 13.135 676 HG12 VAL 91 HG12 VAL 91 0.292 7.617 13.420 677 HG13 VAL 91 HG13 VAL 91 -0.301 8.815 14.571 678 HG21 VAL 91 HG21 VAL 91 -1.365 6.762 11.857 679 HG22 VAL 91 HG22 VAL 91 -0.530 8.017 10.940 680 HG23 VAL 91 HG23 VAL 91 -2.293 7.955 10.948 681 H SER 92 HN SER 92 -4.488 9.566 14.878 682 HA SER 92 HA SER 92 -6.484 10.523 14.354 683 HB2 SER 92 HB2 SER 92 -4.995 10.970 11.765 684 HB3 SER 92 HB1 SER 92 -6.618 11.599 12.049 685 HG SER 92 HG SER 92 -5.690 13.181 13.050 686 H GLY 93 HN GLY 93 -6.052 7.641 13.904 687 HA2 GLY 93 HA2 GLY 93 -8.408 6.658 13.216 688 HA3 GLY 93 HA1 GLY 93 -7.776 7.048 11.623 689 H MET 94 HN MET 94 -6.663 5.512 10.609 690 HA MET 94 HA MET 94 -5.104 3.588 12.139 691 HB2 MET 94 HB2 MET 94 -7.405 2.821 10.344 692 HB3 MET 94 HB1 MET 94 -6.140 1.693 10.810 693 HG2 MET 94 HG2 MET 94 -7.774 3.184 12.834 694 HG3 MET 94 HG1 MET 94 -8.296 1.649 12.145 695 HE1 MET 94 HE1 MET 94 -7.480 3.000 14.975 696 HE2 MET 94 HE2 MET 94 -5.727 3.190 14.964 697 HE3 MET 94 HE3 MET 94 -6.468 1.901 15.913 698 H MET 95 HN MET 95 -3.170 3.647 11.223 699 HA MET 95 HA MET 95 -3.000 3.940 8.296 700 HB2 MET 95 HB2 MET 95 -1.917 5.611 10.121 701 HB3 MET 95 HB1 MET 95 -0.596 4.463 9.945 702 HG2 MET 95 HG2 MET 95 -0.475 4.880 7.585 703 HG3 MET 95 HG1 MET 95 -1.907 5.904 7.653 704 HE1 MET 95 HE1 MET 95 -1.465 8.476 7.358 705 HE2 MET 95 HE2 MET 95 -0.750 9.254 8.770 706 HE3 MET 95 HE3 MET 95 -2.058 8.089 8.973 707 H HIS 96 HN HIS 96 -2.062 2.359 7.148 708 HA HIS 96 HA HIS 96 -0.702 0.215 8.644 709 HB2 HIS 96 HB2 HIS 96 -2.933 -0.324 7.538 710 HB3 HIS 96 HB1 HIS 96 -2.105 -0.130 5.997 711 HD1 HIS 96 HD1 HIS 96 -2.031 -2.298 9.094 712 HD2 HIS 96 HD2 HIS 96 -0.678 -2.317 5.165 713 HE1 HIS 96 HE1 HIS 96 -1.111 -4.607 8.711 714 HE2 HIS 96 HE2 HIS 96 -0.378 -4.622 6.301 715 H TYR 97 HN TYR 97 1.393 0.077 8.276 716 HA TYR 97 HA TYR 97 2.484 1.136 5.761 717 HB2 TYR 97 HB2 TYR 97 3.758 0.610 8.451 718 HB3 TYR 97 HB1 TYR 97 4.684 1.032 7.015 719 HD1 TYR 97 HD2 TYR 97 1.577 2.321 8.668 720 HD2 TYR 97 HD1 TYR 97 5.388 3.217 7.001 721 HE1 TYR 97 HE2 TYR 97 1.219 4.705 9.146 722 HE2 TYR 97 HE1 TYR 97 5.040 5.604 7.478 723 HH TYR 97 HH TYR 97 3.112 7.152 7.825 724 H LEU 98 HN LEU 98 2.432 -0.510 4.305 725 HA LEU 98 HA LEU 98 3.743 -3.025 5.113 726 HB2 LEU 98 HB2 LEU 98 2.233 -4.301 3.896 727 HB3 LEU 98 HB1 LEU 98 1.221 -3.086 4.652 728 HG LEU 98 HG LEU 98 2.189 -2.968 1.794 729 HD11 LEU 98 HD11 LEU 98 -0.043 -3.599 1.153 730 HD12 LEU 98 HD12 LEU 98 -0.546 -3.673 2.842 731 HD13 LEU 98 HD13 LEU 98 0.626 -4.834 2.220 732 HD21 LEU 98 HD21 LEU 98 0.156 -1.307 1.804 733 HD22 LEU 98 HD22 LEU 98 1.761 -0.776 2.304 734 HD23 LEU 98 HD23 LEU 98 0.548 -1.179 3.519 735 H THR 99 HN THR 99 5.227 -3.922 3.746 736 HA THR 99 HA THR 99 6.026 -2.253 1.460 737 HB THR 99 HB THR 99 7.822 -4.349 2.591 738 HG1 THR 99 HG1 THR 99 8.531 -2.817 4.156 739 HG21 THR 99 HG21 THR 99 8.770 -1.617 2.061 740 HG22 THR 99 HG22 THR 99 8.219 -2.533 0.658 741 HG23 THR 99 HG23 THR 99 9.504 -3.175 1.681 742 H VAL 100 HN VAL 100 6.241 -3.134 -0.560 743 HA VAL 100 HA VAL 100 5.837 -6.018 -0.850 744 HB VAL 100 HB VAL 100 4.091 -5.841 -2.420 745 HG11 VAL 100 HG11 VAL 100 2.329 -5.055 -1.137 746 HG12 VAL 100 HG12 VAL 100 3.263 -3.703 -0.499 747 HG13 VAL 100 HG13 VAL 100 3.587 -5.341 0.066 748 HG21 VAL 100 HG21 VAL 100 3.339 -3.201 -2.709 749 HG22 VAL 100 HG22 VAL 100 4.199 -4.175 -3.902 750 HG23 VAL 100 HG23 VAL 100 5.100 -3.140 -2.794 751 H GLU 101 HN GLU 101 6.349 -6.817 -3.021 752 HA GLU 101 HA GLU 101 8.667 -5.416 -4.084 753 HB2 GLU 101 HB2 GLU 101 7.616 -8.190 -4.191 754 HB3 GLU 101 HB1 GLU 101 8.546 -7.646 -5.580 755 HG2 GLU 101 HG2 GLU 101 10.399 -7.049 -4.072 756 HG3 GLU 101 HG1 GLU 101 9.468 -7.683 -2.716 757 H VAL 102 HN VAL 102 8.745 -4.410 -6.016 758 HA VAL 102 HA VAL 102 6.376 -4.626 -7.756 759 HB VAL 102 HB VAL 102 8.014 -2.123 -7.379 760 HG11 VAL 102 HG11 VAL 102 5.798 -1.188 -8.374 761 HG12 VAL 102 HG12 VAL 102 5.579 -2.840 -8.951 762 HG13 VAL 102 HG13 VAL 102 7.000 -1.917 -9.439 763 HG21 VAL 102 HG21 VAL 102 5.719 -1.424 -6.271 764 HG22 VAL 102 HG22 VAL 102 7.002 -2.188 -5.331 765 HG23 VAL 102 HG23 VAL 102 5.641 -3.149 -5.910 766 H ASN 103 HN ASN 103 6.698 -4.474 -9.982 767 HA ASN 103 HA ASN 103 9.494 -4.647 -10.885 768 HB2 ASN 103 HB2 ASN 103 8.385 -6.882 -10.853 769 HB3 ASN 103 HB1 ASN 103 7.185 -6.265 -11.984 770 HD21 ASN 103 HD21 ASN 103 10.031 -7.911 -11.706 771 HD22 ASN 103 HD22 ASN 103 10.615 -7.739 -13.323 772 H ASP 104 HN ASP 104 9.952 -3.781 -12.925 773 HA ASP 104 HA ASP 104 7.822 -2.527 -14.445 774 HB2 ASP 104 HB2 ASP 104 8.784 -0.963 -12.537 775 HB3 ASP 104 HB1 ASP 104 10.082 -0.721 -13.703 776 H ALA 105 HN ALA 105 8.254 -3.348 -16.389 777 HA ALA 105 HA ALA 105 9.351 -3.949 -18.291 778 HB1 ALA 105 HB1 ALA 105 9.793 -1.386 -18.031 779 HB2 ALA 105 HB2 ALA 105 10.648 -2.317 -19.261 780 HB3 ALA 105 HB3 ALA 105 11.455 -1.905 -17.747 781 H GLY 106 HN GLY 106 10.134 -5.243 -15.770 782 HA2 GLY 106 HA2 GLY 106 11.596 -7.160 -15.752 783 HA3 GLY 106 HA1 GLY 106 12.768 -6.218 -16.661 784 H LYS 107 HN LYS 107 12.298 -3.854 -14.904 785 HA LYS 107 HA LYS 107 14.340 -4.412 -13.007 786 HB2 LYS 107 HB2 LYS 107 12.631 -2.061 -13.675 787 HB3 LYS 107 HB1 LYS 107 13.458 -2.069 -12.124 788 HG2 LYS 107 HG2 LYS 107 15.098 -2.743 -14.481 789 HG3 LYS 107 HG1 LYS 107 14.529 -1.077 -14.364 790 HD2 LYS 107 HD2 LYS 107 15.757 -2.376 -11.973 791 HD3 LYS 107 HD1 LYS 107 16.801 -1.788 -13.268 792 HE2 LYS 107 HE2 LYS 107 14.692 -0.088 -11.957 793 HE3 LYS 107 HE1 LYS 107 16.355 -0.171 -11.378 794 HZ1 LYS 107 HZ1 LYS 107 15.854 1.708 -12.922 795 HZ2 LYS 107 HZ2 LYS 107 15.641 0.573 -14.158 796 HZ3 LYS 107 HZ3 LYS 107 17.147 0.727 -13.403 797 H LYS 108 HN LYS 108 13.994 -5.667 -11.295 798 HA LYS 108 HA LYS 108 11.419 -5.486 -9.893 799 HB2 LYS 108 HB2 LYS 108 12.055 -7.726 -10.653 800 HB3 LYS 108 HB1 LYS 108 13.566 -7.612 -9.762 801 HG2 LYS 108 HG2 LYS 108 12.429 -8.738 -8.193 802 HG3 LYS 108 HG1 LYS 108 11.799 -7.142 -7.779 803 HD2 LYS 108 HD2 LYS 108 9.940 -7.621 -9.454 804 HD3 LYS 108 HD1 LYS 108 10.499 -9.295 -9.428 805 HE2 LYS 108 HE2 LYS 108 10.082 -8.057 -6.790 806 HE3 LYS 108 HE1 LYS 108 8.625 -8.285 -7.757 807 HZ1 LYS 108 HZ1 LYS 108 10.538 -10.500 -7.435 808 HZ2 LYS 108 HZ2 LYS 108 8.880 -10.561 -7.760 809 HZ3 LYS 108 HZ3 LYS 108 9.423 -10.166 -6.208 810 H LYS 109 HN LYS 109 11.283 -4.842 -7.807 811 HA LYS 109 HA LYS 109 13.581 -4.718 -6.089 812 HB2 LYS 109 HB2 LYS 109 12.579 -2.294 -7.481 813 HB3 LYS 109 HB1 LYS 109 12.980 -2.124 -5.777 814 HG2 LYS 109 HG2 LYS 109 15.039 -1.696 -6.529 815 HG3 LYS 109 HG1 LYS 109 15.162 -3.448 -6.702 816 HD2 LYS 109 HD2 LYS 109 15.766 -2.858 -8.813 817 HD3 LYS 109 HD1 LYS 109 14.017 -2.890 -9.044 818 HE2 LYS 109 HE2 LYS 109 14.684 -0.861 -9.994 819 HE3 LYS 109 HE1 LYS 109 14.074 -0.414 -8.402 820 HZ1 LYS 109 HZ1 LYS 109 16.023 0.705 -8.362 821 HZ2 LYS 109 HZ2 LYS 109 16.800 -0.348 -9.433 822 HZ3 LYS 109 HZ3 LYS 109 16.614 -0.782 -7.809 823 H LEU 110 HN LEU 110 12.931 -3.423 -4.010 824 HA LEU 110 HA LEU 110 10.161 -4.182 -3.347 825 HB2 LEU 110 HB2 LEU 110 11.606 -5.584 -2.108 826 HB3 LEU 110 HB1 LEU 110 12.689 -4.262 -1.720 827 HG LEU 110 HG LEU 110 11.133 -3.343 -0.145 828 HD11 LEU 110 HD11 LEU 110 8.987 -4.742 0.274 829 HD12 LEU 110 HD12 LEU 110 9.227 -5.278 -1.389 830 HD13 LEU 110 HD13 LEU 110 9.016 -3.562 -1.037 831 HD21 LEU 110 HD21 LEU 110 11.305 -4.933 1.514 832 HD22 LEU 110 HD22 LEU 110 12.516 -5.494 0.361 833 HD23 LEU 110 HD23 LEU 110 10.932 -6.267 0.423 834 H TYR 111 HN TYR 111 8.846 -2.543 -2.923 835 HA TYR 111 HA TYR 111 10.011 -0.040 -1.891 836 HB2 TYR 111 HB2 TYR 111 7.549 -0.197 -3.628 837 HB3 TYR 111 HB1 TYR 111 8.468 1.236 -3.185 838 HD1 TYR 111 HD1 TYR 111 11.242 0.036 -3.696 839 HD2 TYR 111 HD2 TYR 111 7.655 0.039 -5.986 840 HE1 TYR 111 HE1 TYR 111 12.564 -0.174 -5.758 841 HE2 TYR 111 HE2 TYR 111 8.969 -0.173 -8.054 842 HH TYR 111 HH TYR 111 11.262 -1.050 -8.697 843 H GLU 112 HN GLU 112 8.974 0.990 -0.236 844 HA GLU 112 HA GLU 112 6.955 -0.578 1.169 845 HB2 GLU 112 HB2 GLU 112 9.160 0.618 2.117 846 HB3 GLU 112 HB1 GLU 112 8.018 1.938 2.333 847 HG2 GLU 112 HG2 GLU 112 6.621 -0.149 3.363 848 HG3 GLU 112 HG1 GLU 112 8.276 -0.592 3.780 849 H ALA 113 HN ALA 113 4.957 0.220 1.791 850 HA ALA 113 HA ALA 113 4.156 2.832 0.712 851 HB1 ALA 113 HB1 ALA 113 2.451 2.033 -0.558 852 HB2 ALA 113 HB2 ALA 113 2.186 0.632 0.480 853 HB3 ALA 113 HB3 ALA 113 3.527 0.640 -0.666 854 H LYS 114 HN LYS 114 2.969 4.017 2.089 855 HA LYS 114 HA LYS 114 1.851 2.638 4.441 856 HB2 LYS 114 HB2 LYS 114 2.179 4.743 5.689 857 HB3 LYS 114 HB1 LYS 114 3.690 4.060 5.105 858 HG2 LYS 114 HG2 LYS 114 3.217 5.671 3.076 859 HG3 LYS 114 HG1 LYS 114 2.285 6.540 4.294 860 HD2 LYS 114 HD2 LYS 114 4.434 7.486 4.393 861 HD3 LYS 114 HD1 LYS 114 4.366 6.375 5.760 862 HE2 LYS 114 HE2 LYS 114 5.752 4.821 4.729 863 HE3 LYS 114 HE1 LYS 114 5.440 5.468 3.119 864 HZ1 LYS 114 HZ1 LYS 114 7.659 5.965 4.465 865 HZ2 LYS 114 HZ2 LYS 114 6.726 7.264 5.015 866 HZ3 LYS 114 HZ3 LYS 114 7.000 7.062 3.359 867 H VAL 115 HN VAL 115 -0.279 2.549 4.408 868 HA VAL 115 HA VAL 115 -1.772 4.671 3.022 869 HB VAL 115 HB VAL 115 -2.792 1.942 3.813 870 HG11 VAL 115 HG11 VAL 115 -4.573 2.438 2.198 871 HG12 VAL 115 HG12 VAL 115 -3.878 4.036 1.933 872 HG13 VAL 115 HG13 VAL 115 -4.533 3.611 3.514 873 HG21 VAL 115 HG21 VAL 115 -2.620 1.737 1.172 874 HG22 VAL 115 HG22 VAL 115 -1.285 1.290 2.234 875 HG23 VAL 115 HG23 VAL 115 -1.283 2.859 1.428 876 H TRP 116 HN TRP 116 -3.620 5.581 3.982 877 HA TRP 116 HA TRP 116 -3.849 5.172 6.889 878 HB2 TRP 116 HB2 TRP 116 -2.678 7.276 6.423 879 HB3 TRP 116 HB1 TRP 116 -4.008 7.801 5.400 880 HD1 TRP 116 HD1 TRP 116 -3.901 6.454 9.052 881 HE1 TRP 116 HE1 TRP 116 -5.279 8.061 10.517 882 HE3 TRP 116 HE3 TRP 116 -5.266 9.846 5.478 883 HZ2 TRP 116 HZ2 TRP 116 -6.749 10.450 10.199 884 HZ3 TRP 116 HZ3 TRP 116 -6.660 11.761 6.140 885 HH2 TRP 116 HH2 TRP 116 -7.388 12.055 8.453 886 H GLU 117 HN GLU 117 -5.879 5.162 7.755 887 HA GLU 117 HA GLU 117 -8.177 5.866 6.130 888 HB2 GLU 117 HB2 GLU 117 -7.791 3.562 5.450 889 HB3 GLU 117 HB1 GLU 117 -7.724 3.049 7.130 890 HG2 GLU 117 HG2 GLU 117 -10.188 4.445 6.409 891 HG3 GLU 117 HG1 GLU 117 -9.924 2.938 5.533 892 H GLN 118 HN GLN 118 -9.647 6.826 7.380 893 HA GLN 118 HA GLN 118 -9.413 6.529 10.282 894 HB2 GLN 118 HB2 GLN 118 -11.170 8.564 8.969 895 HB3 GLN 118 HB1 GLN 118 -10.318 8.651 10.501 896 HG2 GLN 118 HG2 GLN 118 -9.049 10.077 9.277 897 HG3 GLN 118 HG1 GLN 118 -8.198 8.568 8.947 898 HE21 GLN 118 HE21 GLN 118 -7.776 8.171 6.903 899 HE22 GLN 118 HE22 GLN 118 -8.623 8.813 5.541 900 H VAL 119 HN VAL 119 -11.627 6.888 11.427 901 HA VAL 119 HA VAL 119 -13.588 5.078 10.173 902 HB VAL 119 HB VAL 119 -12.523 4.079 12.148 903 HG11 VAL 119 HG11 VAL 119 -12.014 6.195 13.317 904 HG12 VAL 119 HG12 VAL 119 -12.808 5.012 14.356 905 HG13 VAL 119 HG13 VAL 119 -13.726 6.368 13.700 906 HG21 VAL 119 HG21 VAL 119 -15.403 4.844 12.627 907 HG22 VAL 119 HG22 VAL 119 -14.558 3.476 13.351 908 HG23 VAL 119 HG23 VAL 119 -14.843 3.515 11.611 909 H TRP 120 HN TRP 120 -13.130 7.953 12.160 910 HA TRP 120 HA TRP 120 -15.955 8.552 12.236 911 HB2 TRP 120 HB2 TRP 120 -15.211 10.640 13.377 912 HB3 TRP 120 HB1 TRP 120 -14.620 9.173 14.151 913 HD1 TRP 120 HD1 TRP 120 -13.395 12.142 12.048 914 HE1 TRP 120 HE1 TRP 120 -10.842 12.330 12.315 915 HE3 TRP 120 HE3 TRP 120 -12.539 7.862 14.709 916 HZ2 TRP 120 HZ2 TRP 120 -8.743 10.858 13.497 917 HZ3 TRP 120 HZ3 TRP 120 -10.230 7.324 15.368 918 HH2 TRP 120 HH2 TRP 120 -8.372 8.792 14.772 919 H MET 121 HN MET 121 -13.290 9.223 10.168 920 HA MET 121 HA MET 121 -14.669 11.477 8.909 921 HB2 MET 121 HB2 MET 121 -12.281 11.757 9.388 922 HB3 MET 121 HB1 MET 121 -11.911 10.335 8.424 923 HG2 MET 121 HG2 MET 121 -11.981 11.471 6.511 924 HG3 MET 121 HG1 MET 121 -13.450 12.330 6.968 925 HE1 MET 121 HE1 MET 121 -9.577 12.997 6.278 926 HE2 MET 121 HE2 MET 121 -10.207 14.596 5.880 927 HE3 MET 121 HE3 MET 121 -11.023 13.152 5.280 928 H ASN 122 HN ASN 122 -13.921 8.131 8.456 929 HA ASN 122 HA ASN 122 -14.511 6.616 6.876 930 HB2 ASN 122 HB2 ASN 122 -16.512 8.792 6.475 931 HB3 ASN 122 HB1 ASN 122 -16.405 7.533 5.249 932 HD21 ASN 122 HD21 ASN 122 -16.198 7.588 8.793 933 HD22 ASN 122 HD22 ASN 122 -17.390 6.364 9.049 934 H PHE 123 HN PHE 123 -12.200 7.772 6.310 935 HA PHE 123 HA PHE 123 -12.267 7.995 3.392 936 HB2 PHE 123 HB2 PHE 123 -11.939 10.234 4.950 937 HB3 PHE 123 HB1 PHE 123 -10.274 9.754 4.642 938 HD1 PHE 123 HD2 PHE 123 -9.707 9.219 2.147 939 HD2 PHE 123 HD1 PHE 123 -13.031 11.553 3.415 940 HE1 PHE 123 HE2 PHE 123 -9.818 10.263 -0.078 941 HE2 PHE 123 HE1 PHE 123 -13.149 12.601 1.192 942 HZ PHE 123 HZ PHE 123 -11.540 11.957 -0.558 943 H ARG 124 HN ARG 124 -10.351 7.341 2.347 944 HA ARG 124 HA ARG 124 -8.133 6.366 3.919 945 HB2 ARG 124 HB2 ARG 124 -8.422 4.092 2.567 946 HB3 ARG 124 HB1 ARG 124 -9.140 4.335 4.152 947 HG2 ARG 124 HG2 ARG 124 -10.705 3.300 2.595 948 HG3 ARG 124 HG1 ARG 124 -11.272 4.885 3.127 949 HD2 ARG 124 HD2 ARG 124 -10.674 5.890 1.071 950 HD3 ARG 124 HD1 ARG 124 -9.746 4.479 0.569 951 HE ARG 124 HE ARG 124 -12.300 3.556 0.897 952 HH11 ARG 124 HH11 ARG 124 -10.803 6.069 -1.006 953 HH12 ARG 124 HH12 ARG 124 -11.962 5.962 -2.288 954 HH21 ARG 124 HH21 ARG 124 -13.826 3.413 -0.788 955 HH22 ARG 124 HH22 ARG 124 -13.678 4.454 -2.165 956 H GLN 125 HN GLN 125 -6.266 6.517 2.823 957 HA GLN 125 HA GLN 125 -6.124 6.236 -0.026 958 HB2 GLN 125 HB2 GLN 125 -5.181 8.595 -0.325 959 HB3 GLN 125 HB1 GLN 125 -6.925 8.439 -0.171 960 HG2 GLN 125 HG2 GLN 125 -6.981 9.658 1.689 961 HG3 GLN 125 HG1 GLN 125 -5.595 8.821 2.385 962 HE21 GLN 125 HE21 GLN 125 -5.404 11.201 3.080 963 HE22 GLN 125 HE22 GLN 125 -4.396 12.188 2.083 964 H LEU 126 HN LEU 126 -3.837 7.004 -0.787 965 HA LEU 126 HA LEU 126 -1.941 5.749 1.022 966 HB2 LEU 126 HB2 LEU 126 -1.859 5.022 -1.257 967 HB3 LEU 126 HB1 LEU 126 -1.754 6.671 -1.841 968 HG LEU 126 HG LEU 126 0.434 5.893 -0.038 969 HD11 LEU 126 HD11 LEU 126 1.424 4.256 -1.247 970 HD12 LEU 126 HD12 LEU 126 0.729 4.805 -2.772 971 HD13 LEU 126 HD13 LEU 126 -0.251 3.873 -1.640 972 HD21 LEU 126 HD21 LEU 126 0.519 7.030 -2.822 973 HD22 LEU 126 HD22 LEU 126 1.743 7.147 -1.558 974 HD23 LEU 126 HD23 LEU 126 0.216 8.013 -1.389 975 H GLN 127 HN GLN 127 -0.329 6.761 2.088 976 HA GLN 127 HA GLN 127 -0.333 9.677 2.032 977 HB2 GLN 127 HB2 GLN 127 0.668 7.614 3.960 978 HB3 GLN 127 HB1 GLN 127 1.290 9.257 4.036 979 HG2 GLN 127 HG2 GLN 127 -0.645 8.702 5.559 980 HG3 GLN 127 HG1 GLN 127 -0.813 10.147 4.563 981 HE21 GLN 127 HE21 GLN 127 -2.667 10.368 3.552 982 HE22 GLN 127 HE22 GLN 127 -3.764 9.099 3.139 983 H GLU 128 HN GLU 128 2.138 7.095 2.099 984 HA GLU 128 HA GLU 128 3.700 8.617 0.165 985 HB2 GLU 128 HB2 GLU 128 5.135 7.589 2.583 986 HB3 GLU 128 HB1 GLU 128 5.633 8.826 1.440 987 HG2 GLU 128 HG2 GLU 128 3.325 9.203 3.321 988 HG3 GLU 128 HG1 GLU 128 4.986 9.604 3.754 989 H PHE 129 HN PHE 129 5.411 7.429 -0.816 990 HA PHE 129 HA PHE 129 5.346 4.521 -0.457 991 HB2 PHE 129 HB2 PHE 129 3.852 5.443 -2.402 992 HB3 PHE 129 HB1 PHE 129 5.388 5.676 -3.228 993 HD1 PHE 129 HD2 PHE 129 6.762 3.758 -3.861 994 HD2 PHE 129 HD1 PHE 129 2.956 3.256 -2.025 995 HE1 PHE 129 HE2 PHE 129 6.733 1.404 -4.572 996 HE2 PHE 129 HE1 PHE 129 2.922 0.899 -2.731 997 HZ PHE 129 HZ PHE 129 4.813 -0.029 -4.007 998 H THR 130 HN THR 130 7.388 4.090 0.126 999 HA THR 130 HA THR 130 9.574 5.605 -1.102 1000 HB THR 130 HB THR 130 10.943 4.896 0.709 1001 HG1 THR 130 HG1 THR 130 10.542 2.812 1.055 1002 HG21 THR 130 HG21 THR 130 9.957 5.872 2.520 1003 HG22 THR 130 HG22 THR 130 8.385 5.139 2.201 1004 HG23 THR 130 HG23 THR 130 8.940 6.496 1.220 1005 H TYR 131 HN TYR 131 11.396 4.564 -2.005 1006 HA TYR 131 HA TYR 131 10.822 1.849 -2.991 1007 HB2 TYR 131 HB2 TYR 131 12.264 2.408 -4.914 1008 HB3 TYR 131 HB1 TYR 131 10.896 3.508 -4.777 1009 HD1 TYR 131 HD1 TYR 131 11.268 5.810 -3.850 1010 HD2 TYR 131 HD2 TYR 131 14.490 3.207 -4.821 1011 HE1 TYR 131 HE1 TYR 131 12.804 7.730 -3.872 1012 HE2 TYR 131 HE2 TYR 131 16.036 5.120 -4.845 1013 HH TYR 131 HH TYR 131 15.151 8.196 -5.102 1014 H LEU 132 HN LEU 132 11.929 0.386 -1.870 1015 HA LEU 132 HA LEU 132 14.499 1.045 -0.698 1016 HB2 LEU 132 HB2 LEU 132 13.268 -1.682 -0.612 1017 HB3 LEU 132 HB1 LEU 132 14.295 -0.896 0.572 1018 HG LEU 132 HG LEU 132 11.386 -0.306 0.031 1019 HD11 LEU 132 HD11 LEU 132 12.414 -1.046 2.701 1020 HD12 LEU 132 HD12 LEU 132 12.362 -2.322 1.485 1021 HD13 LEU 132 HD13 LEU 132 10.889 -1.454 1.916 1022 HD21 LEU 132 HD21 LEU 132 13.427 1.126 1.701 1023 HD22 LEU 132 HD22 LEU 132 11.706 1.192 2.082 1024 HD23 LEU 132 HD23 LEU 132 12.288 1.792 0.529 1025 H GLY 133 HN GLY 133 15.884 -1.292 -0.777 1026 HA2 GLY 133 HA2 GLY 133 17.005 -1.212 -3.408 1027 HA3 GLY 133 HA1 GLY 133 17.516 -2.256 -2.090 1028 H ASP 134 HN ASP 134 16.220 -4.196 -1.681 1029 HA ASP 134 HA ASP 134 14.319 -5.102 -3.597 1030 HB2 ASP 134 HB2 ASP 134 15.660 -6.905 -4.593 1031 HB3 ASP 134 HB1 ASP 134 16.327 -5.323 -4.985 1032 H ALA 135 HN ALA 135 13.373 -7.087 -3.024 1033 HA ALA 135 HA ALA 135 13.851 -7.839 -0.249 1034 HB1 ALA 135 HB1 ALA 135 11.663 -8.848 -2.052 1035 HB2 ALA 135 HB2 ALA 135 11.551 -7.338 -1.149 1036 HB3 ALA 135 HB3 ALA 135 11.716 -8.869 -0.290 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 10.855 3.043 19.004 2 H2 MET 1 HT2 MET 1 11.754 1.732 19.650 3 H3 MET 1 HT3 MET 1 10.106 1.940 20.081 4 HA MET 1 HA MET 1 10.597 0.177 18.432 5 HB2 MET 1 HB2 MET 1 8.542 2.150 18.630 6 HB3 MET 1 HB1 MET 1 8.764 1.764 16.929 7 HG2 MET 1 HG2 MET 1 7.085 0.327 17.790 8 HG3 MET 1 HG1 MET 1 8.530 -0.642 17.514 9 HE1 MET 1 HE1 MET 1 6.438 1.076 20.754 10 HE2 MET 1 HE2 MET 1 5.996 -0.610 21.025 11 HE3 MET 1 HE3 MET 1 5.763 0.118 19.436 12 H ALA 2 HN ALA 2 9.933 0.524 15.790 13 HA ALA 2 HA ALA 2 12.413 0.960 14.575 14 HB1 ALA 2 HB1 ALA 2 9.653 0.487 13.639 15 HB2 ALA 2 HB2 ALA 2 11.153 -0.340 13.220 16 HB3 ALA 2 HB3 ALA 2 10.763 1.211 12.476 17 H ASP 3 HN ASP 3 9.717 3.121 15.152 18 HA ASP 3 HA ASP 3 9.467 5.368 14.908 19 HB2 ASP 3 HB2 ASP 3 12.473 5.155 14.934 20 HB3 ASP 3 HB1 ASP 3 11.652 6.707 14.800 21 H GLU 4 HN GLU 4 9.133 3.840 12.606 22 HA GLU 4 HA GLU 4 10.550 4.712 10.357 23 HB2 GLU 4 HB2 GLU 4 7.821 3.543 10.767 24 HB3 GLU 4 HB1 GLU 4 8.299 4.112 9.173 25 HG2 GLU 4 HG2 GLU 4 9.787 2.056 10.791 26 HG3 GLU 4 HG1 GLU 4 8.657 1.700 9.486 27 H GLN 5 HN GLN 5 7.159 5.600 10.915 28 HA GLN 5 HA GLN 5 7.724 8.418 10.706 29 HB2 GLN 5 HB2 GLN 5 6.363 6.930 8.464 30 HB3 GLN 5 HB1 GLN 5 6.164 8.660 8.706 31 HG2 GLN 5 HG2 GLN 5 8.718 7.192 8.104 32 HG3 GLN 5 HG1 GLN 5 7.841 8.293 7.043 33 HE21 GLN 5 HE21 GLN 5 10.605 8.322 8.164 34 HE22 GLN 5 HE22 GLN 5 10.767 9.874 8.904 35 HA PRO 6 HA PRO 6 3.742 7.023 12.841 36 HB2 PRO 6 HB2 PRO 6 4.476 7.423 15.406 37 HB3 PRO 6 HB1 PRO 6 4.782 5.899 14.565 38 HG2 PRO 6 HG2 PRO 6 6.647 8.183 15.085 39 HG3 PRO 6 HG1 PRO 6 6.945 6.440 15.229 40 HD2 PRO 6 HD2 PRO 6 7.736 7.911 13.080 41 HD3 PRO 6 HD1 PRO 6 7.312 6.190 12.974 42 H LYS 7 HN LYS 7 2.191 8.507 13.186 43 HA LYS 7 HA LYS 7 1.155 10.514 13.451 44 HB2 LYS 7 HB2 LYS 7 2.155 10.323 15.718 45 HB3 LYS 7 HB1 LYS 7 3.565 11.202 15.142 46 HG2 LYS 7 HG2 LYS 7 0.951 12.504 14.721 47 HG3 LYS 7 HG1 LYS 7 1.506 12.366 16.390 48 HD2 LYS 7 HD2 LYS 7 3.770 13.224 15.199 49 HD3 LYS 7 HD1 LYS 7 2.562 13.990 14.166 50 HE2 LYS 7 HE2 LYS 7 2.645 15.612 15.730 51 HE3 LYS 7 HE1 LYS 7 1.532 14.549 16.589 52 HZ1 LYS 7 HZ1 LYS 7 4.406 14.985 17.054 53 HZ2 LYS 7 HZ2 LYS 7 3.690 13.529 17.529 54 HZ3 LYS 7 HZ3 LYS 7 3.131 14.992 18.166 55 H LYS 8 HN LYS 8 1.053 11.619 11.602 56 HA LYS 8 HA LYS 8 2.716 13.818 11.090 57 HB2 LYS 8 HB2 LYS 8 3.707 12.945 8.910 58 HB3 LYS 8 HB1 LYS 8 4.451 12.377 10.399 59 HG2 LYS 8 HG2 LYS 8 4.304 10.419 9.242 60 HG3 LYS 8 HG1 LYS 8 2.764 10.385 10.103 61 HD2 LYS 8 HD2 LYS 8 1.877 10.033 8.070 62 HD3 LYS 8 HD1 LYS 8 2.103 11.769 7.850 63 HE2 LYS 8 HE2 LYS 8 3.782 11.492 6.378 64 HE3 LYS 8 HE1 LYS 8 4.467 10.130 7.262 65 HZ1 LYS 8 HZ1 LYS 8 2.571 10.148 5.073 66 HZ2 LYS 8 HZ2 LYS 8 2.214 9.055 6.314 67 HZ3 LYS 8 HZ3 LYS 8 3.703 8.972 5.517 68 HA PRO 9 HA PRO 9 -0.745 14.836 8.560 69 HB2 PRO 9 HB2 PRO 9 0.347 16.585 6.794 70 HB3 PRO 9 HB1 PRO 9 0.059 16.988 8.491 71 HG2 PRO 9 HG2 PRO 9 2.596 16.133 7.151 72 HG3 PRO 9 HG1 PRO 9 2.342 17.413 8.351 73 HD2 PRO 9 HD2 PRO 9 3.328 14.979 9.007 74 HD3 PRO 9 HD1 PRO 9 2.316 15.928 10.115 75 H VAL 10 HN VAL 10 -1.544 14.863 6.293 76 HA VAL 10 HA VAL 10 -0.003 13.106 4.510 77 HB VAL 10 HB VAL 10 -1.874 11.737 4.001 78 HG11 VAL 10 HG11 VAL 10 -1.962 12.104 6.988 79 HG12 VAL 10 HG12 VAL 10 -0.661 11.274 6.135 80 HG13 VAL 10 HG13 VAL 10 -2.304 10.636 6.073 81 HG21 VAL 10 HG21 VAL 10 -3.709 13.171 3.882 82 HG22 VAL 10 HG22 VAL 10 -3.463 13.777 5.520 83 HG23 VAL 10 HG23 VAL 10 -4.075 12.142 5.267 84 HA PRO 11 HA PRO 11 -1.142 15.957 1.344 85 HB2 PRO 11 HB2 PRO 11 -1.161 14.391 -0.853 86 HB3 PRO 11 HB1 PRO 11 0.332 14.797 0.002 87 HG2 PRO 11 HG2 PRO 11 -1.312 12.300 0.142 88 HG3 PRO 11 HG1 PRO 11 0.451 12.477 0.064 89 HD2 PRO 11 HD2 PRO 11 -0.905 12.003 2.381 90 HD3 PRO 11 HD1 PRO 11 0.632 12.886 2.317 91 H ALA 12 HN ALA 12 -2.612 15.764 -0.877 92 HA ALA 12 HA ALA 12 -5.298 15.655 0.135 93 HB1 ALA 12 HB1 ALA 12 -4.641 16.021 -2.760 94 HB2 ALA 12 HB2 ALA 12 -4.278 17.296 -1.596 95 HB3 ALA 12 HB3 ALA 12 -5.938 16.741 -1.806 96 H ALA 13 HN ALA 13 -6.824 14.770 -1.930 97 HA ALA 13 HA ALA 13 -6.555 11.911 -1.663 98 HB1 ALA 13 HB1 ALA 13 -8.614 13.283 -3.357 99 HB2 ALA 13 HB2 ALA 13 -8.729 13.279 -1.597 100 HB3 ALA 13 HB3 ALA 13 -8.732 11.755 -2.484 101 H GLU 14 HN GLU 14 -7.404 10.787 -3.912 102 HA GLU 14 HA GLU 14 -6.090 11.781 -6.257 103 HB2 GLU 14 HB2 GLU 14 -4.806 9.680 -4.573 104 HB3 GLU 14 HB1 GLU 14 -4.708 9.517 -6.321 105 HG2 GLU 14 HG2 GLU 14 -2.883 10.778 -6.152 106 HG3 GLU 14 HG1 GLU 14 -4.003 12.126 -5.957 107 H GLU 15 HN GLU 15 -5.941 9.726 -7.881 108 HA GLU 15 HA GLU 15 -8.299 8.036 -7.559 109 HB2 GLU 15 HB2 GLU 15 -7.986 10.203 -9.574 110 HB3 GLU 15 HB1 GLU 15 -8.717 8.697 -10.113 111 HG2 GLU 15 HG2 GLU 15 -10.092 9.148 -7.824 112 HG3 GLU 15 HG1 GLU 15 -9.779 10.796 -8.365 113 H ALA 16 HN ALA 16 -8.459 6.735 -9.839 114 HA ALA 16 HA ALA 16 -5.898 5.360 -10.008 115 HB1 ALA 16 HB1 ALA 16 -7.379 3.809 -11.510 116 HB2 ALA 16 HB2 ALA 16 -8.706 4.678 -10.740 117 HB3 ALA 16 HB3 ALA 16 -7.549 3.783 -9.755 118 HA PRO 17 HA PRO 17 -4.732 6.889 -13.972 119 HB2 PRO 17 HB2 PRO 17 -3.680 4.704 -15.183 120 HB3 PRO 17 HB1 PRO 17 -2.875 5.538 -13.849 121 HG2 PRO 17 HG2 PRO 17 -4.535 3.047 -13.799 122 HG3 PRO 17 HG1 PRO 17 -3.007 3.390 -12.967 123 HD2 PRO 17 HD2 PRO 17 -5.412 3.529 -11.725 124 HD3 PRO 17 HD1 PRO 17 -4.045 4.571 -11.282 125 H ALA 18 HN ALA 18 -6.703 7.431 -14.927 126 HA ALA 18 HA ALA 18 -8.123 5.356 -16.421 127 HB1 ALA 18 HB1 ALA 18 -9.728 7.341 -16.838 128 HB2 ALA 18 HB2 ALA 18 -8.823 8.131 -15.547 129 HB3 ALA 18 HB3 ALA 18 -9.666 6.614 -15.233 130 H ALA 19 HN ALA 19 -6.258 8.291 -16.887 131 HA ALA 19 HA ALA 19 -6.802 8.747 -19.594 132 HB1 ALA 19 HB1 ALA 19 -5.233 10.366 -19.464 133 HB2 ALA 19 HB2 ALA 19 -4.057 9.315 -18.674 134 HB3 ALA 19 HB3 ALA 19 -5.359 10.045 -17.734 135 H GLU 20 HN GLU 20 -3.776 7.349 -18.323 136 HA GLU 20 HA GLU 20 -3.836 5.332 -20.433 137 HB2 GLU 20 HB2 GLU 20 -1.814 7.516 -20.172 138 HB3 GLU 20 HB1 GLU 20 -1.283 5.934 -20.725 139 HG2 GLU 20 HG2 GLU 20 -1.796 6.698 -22.754 140 HG3 GLU 20 HG1 GLU 20 -3.461 6.347 -22.294 141 H ALA 21 HN ALA 21 -2.611 3.486 -19.993 142 HA ALA 21 HA ALA 21 -0.797 3.237 -17.851 143 HB1 ALA 21 HB1 ALA 21 -2.007 2.403 -16.100 144 HB2 ALA 21 HB2 ALA 21 -3.311 1.818 -17.134 145 HB3 ALA 21 HB3 ALA 21 -3.181 3.538 -16.766 146 H GLU 22 HN GLU 22 0.113 1.166 -17.716 147 HA GLU 22 HA GLU 22 -0.359 -0.476 -20.059 148 HB2 GLU 22 HB2 GLU 22 1.760 -0.360 -17.944 149 HB3 GLU 22 HB1 GLU 22 1.607 -1.798 -18.943 150 HG2 GLU 22 HG2 GLU 22 2.471 -0.793 -20.748 151 HG3 GLU 22 HG1 GLU 22 1.635 0.726 -20.430 152 H ALA 23 HN ALA 23 -0.530 -0.787 -16.538 153 HA ALA 23 HA ALA 23 -1.583 -2.282 -15.184 154 HB1 ALA 23 HB1 ALA 23 -3.677 -1.935 -15.978 155 HB2 ALA 23 HB2 ALA 23 -3.489 -3.605 -16.511 156 HB3 ALA 23 HB3 ALA 23 -3.222 -2.282 -17.646 157 H GLU 24 HN GLU 24 -0.348 -3.914 -14.526 158 HA GLU 24 HA GLU 24 -0.259 -6.347 -16.119 159 HB2 GLU 24 HB2 GLU 24 1.823 -4.673 -16.423 160 HB3 GLU 24 HB1 GLU 24 2.361 -5.536 -14.988 161 HG2 GLU 24 HG2 GLU 24 3.244 -6.938 -16.498 162 HG3 GLU 24 HG1 GLU 24 1.615 -7.612 -16.515 163 H GLU 25 HN GLU 25 0.267 -8.221 -14.909 164 HA GLU 25 HA GLU 25 0.397 -7.851 -11.996 165 HB2 GLU 25 HB2 GLU 25 -1.933 -8.496 -13.108 166 HB3 GLU 25 HB1 GLU 25 -1.228 -10.106 -13.070 167 HG2 GLU 25 HG2 GLU 25 -1.011 -10.048 -10.708 168 HG3 GLU 25 HG1 GLU 25 -1.411 -8.332 -10.652 169 H GLU 26 HN GLU 26 1.468 -9.471 -10.847 170 HA GLU 26 HA GLU 26 3.138 -11.221 -12.517 171 HB2 GLU 26 HB2 GLU 26 3.973 -9.408 -10.715 172 HB3 GLU 26 HB1 GLU 26 3.801 -10.801 -9.655 173 HG2 GLU 26 HG2 GLU 26 5.890 -11.269 -10.274 174 HG3 GLU 26 HG1 GLU 26 5.146 -11.886 -11.749 175 H GLU 27 HN GLU 27 1.475 -11.195 -9.364 176 HA GLU 27 HA GLU 27 1.699 -13.965 -8.904 177 HB2 GLU 27 HB2 GLU 27 0.983 -11.943 -7.343 178 HB3 GLU 27 HB1 GLU 27 -0.632 -12.448 -7.823 179 HG2 GLU 27 HG2 GLU 27 -0.566 -14.302 -6.569 180 HG3 GLU 27 HG1 GLU 27 1.125 -14.625 -6.951 181 H GLY 28 HN GLY 28 -0.420 -15.303 -8.558 182 HA2 GLY 28 HA2 GLY 28 -1.847 -15.227 -11.133 183 HA3 GLY 28 HA1 GLY 28 -1.619 -16.661 -10.143 184 H LEU 29 HN LEU 29 -3.039 -13.404 -9.819 185 HA LEU 29 HA LEU 29 -5.238 -14.615 -8.288 186 HB2 LEU 29 HB2 LEU 29 -3.954 -11.926 -8.280 187 HB3 LEU 29 HB1 LEU 29 -5.652 -12.033 -7.857 188 HG LEU 29 HG LEU 29 -4.335 -12.061 -5.843 189 HD11 LEU 29 HD11 LEU 29 -5.510 -13.690 -4.819 190 HD12 LEU 29 HD12 LEU 29 -5.005 -14.928 -5.969 191 HD13 LEU 29 HD13 LEU 29 -6.301 -13.809 -6.391 192 HD21 LEU 29 HD21 LEU 29 -2.443 -13.248 -5.512 193 HD22 LEU 29 HD22 LEU 29 -2.387 -13.234 -7.275 194 HD23 LEU 29 HD23 LEU 29 -3.027 -14.640 -6.424 195 H HIS 30 HN HIS 30 -7.314 -13.115 -8.535 196 HA HIS 30 HA HIS 30 -7.865 -11.920 -11.013 197 HB2 HIS 30 HB2 HIS 30 -7.579 -14.504 -11.510 198 HB3 HIS 30 HB1 HIS 30 -9.233 -14.574 -10.911 199 HD1 HIS 30 HD1 HIS 30 -8.075 -14.961 -13.944 200 HD2 HIS 30 HD2 HIS 30 -10.263 -11.777 -12.412 201 HE1 HIS 30 HE1 HIS 30 -9.170 -13.878 -15.932 202 HE2 HIS 30 HE2 HIS 30 -10.418 -11.903 -14.990 203 H LEU 31 HN LEU 31 -9.113 -10.436 -10.029 204 HA LEU 31 HA LEU 31 -11.331 -11.377 -8.344 205 HB2 LEU 31 HB2 LEU 31 -11.391 -9.178 -7.371 206 HB3 LEU 31 HB1 LEU 31 -9.749 -9.790 -7.306 207 HG LEU 31 HG LEU 31 -9.501 -8.424 -9.556 208 HD11 LEU 31 HD11 LEU 31 -11.928 -7.283 -8.235 209 HD12 LEU 31 HD12 LEU 31 -11.625 -7.596 -9.944 210 HD13 LEU 31 HD13 LEU 31 -10.831 -6.241 -9.141 211 HD21 LEU 31 HD21 LEU 31 -9.584 -6.921 -6.956 212 HD22 LEU 31 HD22 LEU 31 -8.492 -6.696 -8.322 213 HD23 LEU 31 HD23 LEU 31 -8.351 -8.132 -7.308 214 H GLU 32 HN GLU 32 -13.199 -9.600 -8.425 215 HA GLU 32 HA GLU 32 -13.771 -8.988 -11.243 216 HB2 GLU 32 HB2 GLU 32 -16.155 -9.662 -10.794 217 HB3 GLU 32 HB1 GLU 32 -15.000 -10.988 -10.830 218 HG2 GLU 32 HG2 GLU 32 -15.856 -9.688 -8.267 219 HG3 GLU 32 HG1 GLU 32 -16.755 -11.016 -8.998 220 H ASP 33 HN ASP 33 -14.355 -6.945 -11.546 221 HA ASP 33 HA ASP 33 -15.022 -4.805 -11.159 222 HB2 ASP 33 HB2 ASP 33 -16.789 -6.378 -9.328 223 HB3 ASP 33 HB1 ASP 33 -16.796 -4.620 -9.218 224 H ASP 34 HN ASP 34 -15.305 -3.130 -9.236 225 HA ASP 34 HA ASP 34 -14.261 -1.940 -7.604 226 HB2 ASP 34 HB2 ASP 34 -14.070 -4.747 -6.620 227 HB3 ASP 34 HB1 ASP 34 -13.105 -3.523 -5.802 228 H GLN 35 HN GLN 35 -12.555 -0.803 -8.235 229 HA GLN 35 HA GLN 35 -10.278 -1.926 -9.491 230 HB2 GLN 35 HB2 GLN 35 -11.116 0.775 -8.590 231 HB3 GLN 35 HB1 GLN 35 -9.391 0.516 -8.809 232 HG2 GLN 35 HG2 GLN 35 -11.548 0.149 -10.873 233 HG3 GLN 35 HG1 GLN 35 -10.333 1.425 -10.820 234 HE21 GLN 35 HE21 GLN 35 -11.007 -0.780 -12.770 235 HE22 GLN 35 HE22 GLN 35 -9.493 -1.551 -13.078 236 H GLU 36 HN GLU 36 -9.814 -3.552 -7.803 237 HA GLU 36 HA GLU 36 -8.521 -4.378 -6.124 238 HB2 GLU 36 HB2 GLU 36 -7.107 -1.751 -6.585 239 HB3 GLU 36 HB1 GLU 36 -6.503 -2.994 -5.497 240 HG2 GLU 36 HG2 GLU 36 -6.887 -3.206 -8.472 241 HG3 GLU 36 HG1 GLU 36 -5.364 -3.182 -7.585 242 HA PRO 37 HA PRO 37 -10.925 -2.014 -2.951 243 HB2 PRO 37 HB2 PRO 37 -11.961 -4.217 -1.747 244 HB3 PRO 37 HB1 PRO 37 -12.705 -3.453 -3.156 245 HG2 PRO 37 HG2 PRO 37 -10.936 -5.865 -3.023 246 HG3 PRO 37 HG1 PRO 37 -12.414 -5.612 -3.970 247 HD2 PRO 37 HD2 PRO 37 -9.943 -5.395 -5.050 248 HD3 PRO 37 HD1 PRO 37 -11.313 -4.411 -5.602 249 H ARG 38 HN ARG 38 -10.335 -1.625 -0.855 250 HA ARG 38 HA ARG 38 -8.058 -3.185 0.159 251 HB2 ARG 38 HB2 ARG 38 -8.197 -0.507 -0.262 252 HB3 ARG 38 HB1 ARG 38 -8.694 -0.592 1.422 253 HG2 ARG 38 HG2 ARG 38 -6.155 -1.767 0.308 254 HG3 ARG 38 HG1 ARG 38 -6.281 -0.224 1.156 255 HD2 ARG 38 HD2 ARG 38 -7.508 -1.902 2.908 256 HD3 ARG 38 HD1 ARG 38 -6.293 -2.968 2.203 257 HE ARG 38 HE ARG 38 -4.737 -1.865 3.437 258 HH11 ARG 38 HH11 ARG 38 -7.436 0.291 2.938 259 HH12 ARG 38 HH12 ARG 38 -6.760 1.561 3.901 260 HH21 ARG 38 HH21 ARG 38 -3.847 -0.195 4.705 261 HH22 ARG 38 HH22 ARG 38 -4.723 1.286 4.904 262 H GLU 39 HN GLU 39 -8.033 -3.951 2.255 263 HA GLU 39 HA GLU 39 -10.651 -4.284 3.473 264 HB2 GLU 39 HB2 GLU 39 -8.588 -6.007 3.153 265 HB3 GLU 39 HB1 GLU 39 -8.268 -5.442 4.787 266 HG2 GLU 39 HG2 GLU 39 -10.019 -6.539 5.649 267 HG3 GLU 39 HG1 GLU 39 -11.057 -6.179 4.270 268 H HIS 40 HN HIS 40 -10.086 -4.570 6.123 269 HA HIS 40 HA HIS 40 -8.882 -2.042 6.988 270 HB2 HIS 40 HB2 HIS 40 -10.807 -1.639 8.510 271 HB3 HIS 40 HB1 HIS 40 -11.245 -1.546 6.808 272 HD1 HIS 40 HD1 HIS 40 -12.473 -3.754 5.841 273 HD2 HIS 40 HD2 HIS 40 -12.304 -3.379 9.976 274 HE1 HIS 40 HE1 HIS 40 -14.209 -5.340 6.731 275 HE2 HIS 40 HE2 HIS 40 -14.149 -5.033 9.231 276 HA PRO 41 HA PRO 41 -7.433 -5.507 9.644 277 HB2 PRO 41 HB2 PRO 41 -4.957 -4.478 10.050 278 HB3 PRO 41 HB1 PRO 41 -5.376 -5.429 8.621 279 HG2 PRO 41 HG2 PRO 41 -5.193 -2.457 8.931 280 HG3 PRO 41 HG1 PRO 41 -4.612 -3.481 7.605 281 HD2 PRO 41 HD2 PRO 41 -6.923 -2.077 7.457 282 HD3 PRO 41 HD1 PRO 41 -6.701 -3.639 6.643 283 H ILE 42 HN ILE 42 -6.577 -5.466 11.876 284 HA ILE 42 HA ILE 42 -7.947 -3.502 13.439 285 HB ILE 42 HB ILE 42 -7.762 -5.840 14.177 286 HG12 ILE 42 HG12 ILE 42 -6.322 -4.032 16.121 287 HG13 ILE 42 HG11 ILE 42 -8.046 -3.901 15.784 288 HG21 ILE 42 HG21 ILE 42 -5.277 -5.882 13.332 289 HG22 ILE 42 HG22 ILE 42 -5.801 -6.916 14.662 290 HG23 ILE 42 HG23 ILE 42 -4.934 -5.418 14.999 291 HD11 ILE 42 HD11 ILE 42 -7.626 -6.589 16.367 292 HD12 ILE 42 HD12 ILE 42 -8.378 -5.373 17.400 293 HD13 ILE 42 HD13 ILE 42 -6.650 -5.700 17.536 294 H MET 43 HN MET 43 -6.947 -2.195 15.119 295 HA MET 43 HA MET 43 -4.923 -0.531 14.157 296 HB2 MET 43 HB2 MET 43 -4.835 0.352 16.499 297 HB3 MET 43 HB1 MET 43 -6.450 0.294 15.807 298 HG2 MET 43 HG2 MET 43 -6.349 -2.112 17.024 299 HG3 MET 43 HG1 MET 43 -5.313 -1.162 18.088 300 HE1 MET 43 HE1 MET 43 -9.597 -1.641 18.081 301 HE2 MET 43 HE2 MET 43 -8.553 -2.157 19.406 302 HE3 MET 43 HE3 MET 43 -8.197 -2.662 17.754 303 H GLY 44 HN GLY 44 -2.961 -0.041 15.782 304 HA2 GLY 44 HA2 GLY 44 -1.605 -1.962 17.175 305 HA3 GLY 44 HA1 GLY 44 -1.222 -2.309 15.496 306 H GLY 45 HN GLY 45 0.792 -1.679 17.225 307 HA2 GLY 45 HA2 GLY 45 1.406 1.153 16.734 308 HA3 GLY 45 HA1 GLY 45 2.220 0.116 17.895 309 H ILE 46 HN ILE 46 4.145 1.090 16.850 310 HA ILE 46 HA ILE 46 4.776 0.240 14.166 311 HB ILE 46 HB ILE 46 6.704 1.419 16.160 312 HG12 ILE 46 HG12 ILE 46 4.664 2.826 16.004 313 HG13 ILE 46 HG11 ILE 46 6.090 3.627 15.353 314 HG21 ILE 46 HG21 ILE 46 7.801 2.271 14.121 315 HG22 ILE 46 HG22 ILE 46 6.608 1.411 13.147 316 HG23 ILE 46 HG23 ILE 46 7.726 0.510 14.170 317 HD11 ILE 46 HD11 ILE 46 4.044 3.951 14.003 318 HD12 ILE 46 HD12 ILE 46 4.027 2.217 13.682 319 HD13 ILE 46 HD13 ILE 46 5.370 3.206 13.110 320 H TYR 47 HN TYR 47 4.269 -2.065 15.149 321 HA TYR 47 HA TYR 47 6.719 -3.489 15.105 322 HB2 TYR 47 HB2 TYR 47 6.464 -2.555 17.539 323 HB3 TYR 47 HB1 TYR 47 5.290 -3.855 17.715 324 HD1 TYR 47 HD2 TYR 47 6.254 -6.189 16.665 325 HD2 TYR 47 HD1 TYR 47 8.575 -3.027 18.313 326 HE1 TYR 47 HE2 TYR 47 8.076 -7.775 17.128 327 HE2 TYR 47 HE1 TYR 47 10.403 -4.604 18.779 328 HH TYR 47 HH TYR 47 10.200 -7.622 19.070 329 H ASP 48 HN ASP 48 3.312 -3.560 16.061 330 HA ASP 48 HA ASP 48 2.865 -6.302 15.769 331 HB2 ASP 48 HB2 ASP 48 0.851 -4.138 15.148 332 HB3 ASP 48 HB1 ASP 48 0.527 -5.779 15.700 333 H ALA 49 HN ALA 49 2.591 -7.614 14.067 334 HA ALA 49 HA ALA 49 2.108 -6.452 11.423 335 HB1 ALA 49 HB1 ALA 49 3.866 -7.938 10.455 336 HB2 ALA 49 HB2 ALA 49 4.396 -8.292 12.099 337 HB3 ALA 49 HB3 ALA 49 4.491 -6.644 11.477 338 HA PRO 50 HA PRO 50 -0.240 -10.441 12.615 339 HB2 PRO 50 HB2 PRO 50 -2.721 -9.300 12.186 340 HB3 PRO 50 HB1 PRO 50 -1.954 -9.485 13.765 341 HG2 PRO 50 HG2 PRO 50 -2.082 -7.090 11.987 342 HG3 PRO 50 HG1 PRO 50 -2.198 -7.186 13.753 343 HD2 PRO 50 HD2 PRO 50 0.051 -6.379 12.521 344 HD3 PRO 50 HD1 PRO 50 0.096 -7.329 14.021 345 H LEU 51 HN LEU 51 -1.959 -8.251 10.436 346 HA LEU 51 HA LEU 51 -2.607 -8.447 8.265 347 HB2 LEU 51 HB2 LEU 51 -0.108 -8.342 8.001 348 HB3 LEU 51 HB1 LEU 51 -0.104 -10.094 7.922 349 HG LEU 51 HG LEU 51 -1.981 -8.964 6.021 350 HD11 LEU 51 HD11 LEU 51 -0.564 -7.761 4.609 351 HD12 LEU 51 HD12 LEU 51 0.887 -8.289 5.463 352 HD13 LEU 51 HD13 LEU 51 -0.209 -7.131 6.218 353 HD21 LEU 51 HD21 LEU 51 -0.426 -11.223 6.298 354 HD22 LEU 51 HD22 LEU 51 0.358 -10.347 4.984 355 HD23 LEU 51 HD23 LEU 51 -1.351 -10.767 4.868 356 H ASN 52 HN ASN 52 -4.077 -10.041 9.695 357 HA ASN 52 HA ASN 52 -3.933 -12.802 9.278 358 HB2 ASN 52 HB2 ASN 52 -5.491 -11.334 10.818 359 HB3 ASN 52 HB1 ASN 52 -6.593 -11.444 9.449 360 HD21 ASN 52 HD21 ASN 52 -7.961 -12.566 10.983 361 HD22 ASN 52 HD22 ASN 52 -7.729 -14.258 11.240 362 H ASN 53 HN ASN 53 -5.095 -10.230 7.234 363 HA ASN 53 HA ASN 53 -6.403 -12.030 5.384 364 HB2 ASN 53 HB2 ASN 53 -6.857 -10.007 4.070 365 HB3 ASN 53 HB1 ASN 53 -7.320 -9.784 5.755 366 HD21 ASN 53 HD21 ASN 53 -6.086 -8.428 7.070 367 HD22 ASN 53 HD22 ASN 53 -5.003 -7.257 6.407 368 H GLU 54 HN GLU 54 -4.049 -13.083 5.463 369 HA GLU 54 HA GLU 54 -2.387 -11.919 3.347 370 HB2 GLU 54 HB2 GLU 54 -1.526 -12.767 5.673 371 HB3 GLU 54 HB1 GLU 54 -1.611 -14.350 4.913 372 HG2 GLU 54 HG2 GLU 54 -0.242 -12.270 3.351 373 HG3 GLU 54 HG1 GLU 54 0.552 -12.747 4.851 374 H ASN 55 HN ASN 55 -4.993 -13.561 3.118 375 HA ASN 55 HA ASN 55 -4.441 -16.056 1.998 376 HB2 ASN 55 HB2 ASN 55 -6.683 -14.218 1.147 377 HB3 ASN 55 HB1 ASN 55 -6.653 -15.977 1.064 378 HD21 ASN 55 HD21 ASN 55 -7.197 -13.219 3.034 379 HD22 ASN 55 HD22 ASN 55 -7.728 -14.059 4.447 380 H GLY 56 HN GLY 56 -4.187 -12.846 0.659 381 HA2 GLY 56 HA2 GLY 56 -2.448 -12.849 -1.190 382 HA3 GLY 56 HA1 GLY 56 -3.508 -14.017 -1.964 383 H PHE 57 HN PHE 57 -5.971 -13.022 -1.712 384 HA PHE 57 HA PHE 57 -6.090 -11.014 -3.660 385 HB2 PHE 57 HB2 PHE 57 -8.213 -11.843 -1.669 386 HB3 PHE 57 HB1 PHE 57 -8.495 -10.896 -3.126 387 HD1 PHE 57 HD1 PHE 57 -7.575 -14.211 -1.832 388 HD2 PHE 57 HD2 PHE 57 -8.611 -11.926 -5.269 389 HE1 PHE 57 HE1 PHE 57 -7.890 -16.288 -3.113 390 HE2 PHE 57 HE2 PHE 57 -8.929 -13.998 -6.556 391 HZ PHE 57 HZ PHE 57 -8.569 -16.183 -5.478 392 H ASP 58 HN ASP 58 -6.411 -10.842 -0.137 393 HA ASP 58 HA ASP 58 -6.994 -8.063 -0.058 394 HB2 ASP 58 HB2 ASP 58 -5.998 -9.995 2.036 395 HB3 ASP 58 HB1 ASP 58 -6.345 -8.304 2.385 396 H LYS 59 HN LYS 59 -4.017 -9.880 0.687 397 HA LYS 59 HA LYS 59 -2.380 -7.674 1.171 398 HB2 LYS 59 HB2 LYS 59 -0.549 -9.154 1.045 399 HB3 LYS 59 HB1 LYS 59 -1.891 -10.138 1.611 400 HG2 LYS 59 HG2 LYS 59 -2.211 -10.999 -0.656 401 HG3 LYS 59 HG1 LYS 59 -0.848 -10.027 -1.211 402 HD2 LYS 59 HD2 LYS 59 -0.317 -11.767 1.109 403 HD3 LYS 59 HD1 LYS 59 -0.641 -12.600 -0.413 404 HE2 LYS 59 HE2 LYS 59 1.216 -11.711 -1.450 405 HE3 LYS 59 HE1 LYS 59 1.279 -10.316 -0.374 406 HZ1 LYS 59 HZ1 LYS 59 1.967 -13.106 0.381 407 HZ2 LYS 59 HZ2 LYS 59 2.045 -11.759 1.401 408 HZ3 LYS 59 HZ3 LYS 59 3.078 -11.869 0.067 409 H GLU 60 HN GLU 60 -2.992 -9.432 -1.846 410 HA GLU 60 HA GLU 60 -1.213 -7.952 -3.450 411 HB2 GLU 60 HB2 GLU 60 -3.699 -9.514 -4.156 412 HB3 GLU 60 HB1 GLU 60 -2.614 -8.820 -5.353 413 HG2 GLU 60 HG2 GLU 60 -1.174 -10.402 -3.413 414 HG3 GLU 60 HG1 GLU 60 -2.447 -11.335 -4.199 415 H ASP 61 HN ASP 61 -4.696 -7.595 -2.857 416 HA ASP 61 HA ASP 61 -5.179 -5.468 -4.593 417 HB2 ASP 61 HB2 ASP 61 -6.490 -6.353 -2.034 418 HB3 ASP 61 HB1 ASP 61 -7.048 -4.919 -2.890 419 H LEU 62 HN LEU 62 -4.090 -5.461 -1.226 420 HA LEU 62 HA LEU 62 -4.144 -2.660 -0.872 421 HB2 LEU 62 HB2 LEU 62 -4.074 -4.132 1.030 422 HB3 LEU 62 HB1 LEU 62 -2.549 -4.816 0.504 423 HG LEU 62 HG LEU 62 -1.338 -2.892 1.112 424 HD11 LEU 62 HD11 LEU 62 -3.941 -1.428 1.519 425 HD12 LEU 62 HD12 LEU 62 -2.896 -1.256 0.109 426 HD13 LEU 62 HD13 LEU 62 -2.315 -0.770 1.702 427 HD21 LEU 62 HD21 LEU 62 -3.338 -3.883 3.025 428 HD22 LEU 62 HD22 LEU 62 -2.561 -2.361 3.459 429 HD23 LEU 62 HD23 LEU 62 -1.582 -3.796 3.157 430 H ALA 63 HN ALA 63 -1.421 -4.857 -1.568 431 HA ALA 63 HA ALA 63 0.570 -2.934 -1.816 432 HB1 ALA 63 HB1 ALA 63 0.407 -5.475 -3.426 433 HB2 ALA 63 HB2 ALA 63 0.903 -5.408 -1.735 434 HB3 ALA 63 HB3 ALA 63 1.859 -4.585 -2.967 435 H ARG 64 HN ARG 64 -1.367 -4.405 -4.425 436 HA ARG 64 HA ARG 64 -0.347 -2.843 -6.511 437 HB2 ARG 64 HB2 ARG 64 -1.905 -4.955 -6.519 438 HB3 ARG 64 HB1 ARG 64 -3.197 -3.762 -6.526 439 HG2 ARG 64 HG2 ARG 64 -1.012 -4.061 -8.575 440 HG3 ARG 64 HG1 ARG 64 -2.720 -4.457 -8.777 441 HD2 ARG 64 HD2 ARG 64 -3.062 -1.947 -8.111 442 HD3 ARG 64 HD1 ARG 64 -1.388 -1.790 -8.640 443 HE ARG 64 HE ARG 64 -3.682 -2.096 -10.297 444 HH11 ARG 64 HH11 ARG 64 -0.289 -2.878 -10.066 445 HH12 ARG 64 HH12 ARG 64 -0.069 -2.985 -11.780 446 HH21 ARG 64 HH21 ARG 64 -3.394 -2.236 -12.552 447 HH22 ARG 64 HH22 ARG 64 -1.831 -2.620 -13.192 448 H PHE 65 HN PHE 65 -3.005 -2.280 -4.273 449 HA PHE 65 HA PHE 65 -4.157 -0.056 -5.507 450 HB2 PHE 65 HB2 PHE 65 -5.240 -1.219 -3.658 451 HB3 PHE 65 HB1 PHE 65 -3.957 -0.719 -2.562 452 HD1 PHE 65 HD2 PHE 65 -6.190 0.971 -5.036 453 HD2 PHE 65 HD1 PHE 65 -4.580 0.918 -1.097 454 HE1 PHE 65 HE2 PHE 65 -7.454 3.012 -4.496 455 HE2 PHE 65 HE1 PHE 65 -5.841 2.959 -0.550 456 HZ PHE 65 HZ PHE 65 -7.280 4.009 -2.251 457 H ALA 66 HN ALA 66 -1.899 -0.025 -2.738 458 HA ALA 66 HA ALA 66 -1.425 2.713 -2.714 459 HB1 ALA 66 HB1 ALA 66 0.910 1.827 -1.759 460 HB2 ALA 66 HB2 ALA 66 -0.022 0.332 -1.658 461 HB3 ALA 66 HB3 ALA 66 -0.586 1.781 -0.826 462 H VAL 67 HN VAL 67 0.574 0.173 -4.226 463 HA VAL 67 HA VAL 67 2.519 1.764 -5.359 464 HB VAL 67 HB VAL 67 1.309 -0.693 -6.638 465 HG11 VAL 67 HG11 VAL 67 3.952 0.702 -6.998 466 HG12 VAL 67 HG12 VAL 67 2.709 0.400 -8.212 467 HG13 VAL 67 HG13 VAL 67 3.640 -0.944 -7.551 468 HG21 VAL 67 HG21 VAL 67 3.799 -0.993 -5.136 469 HG22 VAL 67 HG22 VAL 67 2.351 -2.000 -5.146 470 HG23 VAL 67 HG23 VAL 67 2.414 -0.555 -4.137 471 H ARG 68 HN ARG 68 -0.540 0.733 -6.863 472 HA ARG 68 HA ARG 68 -0.185 2.233 -9.233 473 HB2 ARG 68 HB2 ARG 68 -1.709 0.361 -9.186 474 HB3 ARG 68 HB1 ARG 68 -2.676 1.124 -7.931 475 HG2 ARG 68 HG2 ARG 68 -3.507 2.751 -9.422 476 HG3 ARG 68 HG1 ARG 68 -2.305 2.347 -10.649 477 HD2 ARG 68 HD2 ARG 68 -3.765 0.942 -11.555 478 HD3 ARG 68 HD1 ARG 68 -3.687 -0.035 -10.090 479 HE ARG 68 HE ARG 68 -5.802 1.762 -10.878 480 HH11 ARG 68 HH11 ARG 68 -4.309 0.044 -8.230 481 HH12 ARG 68 HH12 ARG 68 -5.734 0.071 -7.247 482 HH21 ARG 68 HH21 ARG 68 -7.675 1.797 -9.584 483 HH22 ARG 68 HH22 ARG 68 -7.644 1.066 -8.015 484 H GLU 69 HN GLU 69 -1.428 3.020 -6.078 485 HA GLU 69 HA GLU 69 -2.869 5.350 -6.761 486 HB2 GLU 69 HB2 GLU 69 -2.792 3.988 -4.533 487 HB3 GLU 69 HB1 GLU 69 -1.454 5.055 -4.133 488 HG2 GLU 69 HG2 GLU 69 -4.277 5.871 -4.778 489 HG3 GLU 69 HG1 GLU 69 -3.496 5.913 -3.198 490 H TYR 70 HN TYR 70 0.496 4.822 -5.793 491 HA TYR 70 HA TYR 70 1.091 7.652 -6.095 492 HB2 TYR 70 HB2 TYR 70 3.014 7.259 -4.917 493 HB3 TYR 70 HB1 TYR 70 2.065 5.888 -4.356 494 HD1 TYR 70 HD2 TYR 70 4.783 6.923 -6.625 495 HD2 TYR 70 HD1 TYR 70 2.701 3.650 -4.881 496 HE1 TYR 70 HE2 TYR 70 6.540 5.393 -7.414 497 HE2 TYR 70 HE1 TYR 70 4.452 2.110 -5.665 498 HH TYR 70 HH TYR 70 7.432 3.073 -6.669 499 H ASN 71 HN ASN 71 1.188 4.797 -7.977 500 HA ASN 71 HA ASN 71 3.244 5.733 -9.781 501 HB2 ASN 71 HB2 ASN 71 1.540 3.282 -9.584 502 HB3 ASN 71 HB1 ASN 71 2.322 3.661 -11.116 503 HD21 ASN 71 HD21 ASN 71 4.701 4.229 -10.880 504 HD22 ASN 71 HD22 ASN 71 5.626 3.211 -9.834 505 H ASN 72 HN ASN 72 -0.222 5.849 -9.566 506 HA ASN 72 HA ASN 72 -0.581 6.486 -12.359 507 HB2 ASN 72 HB2 ASN 72 -2.872 6.425 -11.957 508 HB3 ASN 72 HB1 ASN 72 -2.252 5.285 -10.769 509 HD21 ASN 72 HD21 ASN 72 -2.270 5.838 -8.592 510 HD22 ASN 72 HD22 ASN 72 -3.218 7.148 -7.985 511 H LYS 73 HN LYS 73 -0.390 8.221 -9.315 512 HA LYS 73 HA LYS 73 -1.379 10.691 -10.025 513 HB2 LYS 73 HB2 LYS 73 0.421 11.579 -8.385 514 HB3 LYS 73 HB1 LYS 73 -0.831 10.504 -7.781 515 HG2 LYS 73 HG2 LYS 73 0.659 8.657 -7.739 516 HG3 LYS 73 HG1 LYS 73 1.896 9.557 -8.618 517 HD2 LYS 73 HD2 LYS 73 1.503 11.190 -6.498 518 HD3 LYS 73 HD1 LYS 73 1.171 9.620 -5.763 519 HE2 LYS 73 HE2 LYS 73 3.314 8.880 -6.046 520 HE3 LYS 73 HE1 LYS 73 3.584 9.875 -7.476 521 HZ1 LYS 73 HZ1 LYS 73 4.886 10.696 -5.648 522 HZ2 LYS 73 HZ2 LYS 73 3.517 10.822 -4.663 523 HZ3 LYS 73 HZ3 LYS 73 3.680 11.826 -6.014 524 H ASN 74 HN ASN 74 1.890 9.425 -10.583 525 HA ASN 74 HA ASN 74 2.267 10.887 -12.944 526 HB2 ASN 74 HB2 ASN 74 3.731 12.649 -12.325 527 HB3 ASN 74 HB1 ASN 74 2.359 12.762 -11.229 528 HD21 ASN 74 HD21 ASN 74 2.736 11.258 -9.209 529 HD22 ASN 74 HD22 ASN 74 4.258 11.499 -8.428 530 H ASN 75 HN ASN 75 3.790 9.371 -10.156 531 HA ASN 75 HA ASN 75 6.313 8.840 -11.042 532 HB2 ASN 75 HB2 ASN 75 4.770 7.976 -8.938 533 HB3 ASN 75 HB1 ASN 75 5.071 6.481 -9.820 534 HD21 ASN 75 HD21 ASN 75 7.154 5.692 -9.979 535 HD22 ASN 75 HD22 ASN 75 8.446 6.280 -8.995 536 H ALA 76 HN ALA 76 7.195 6.652 -11.750 537 HA ALA 76 HA ALA 76 6.404 6.122 -14.367 538 HB1 ALA 76 HB1 ALA 76 7.988 4.363 -14.368 539 HB2 ALA 76 HB2 ALA 76 7.877 4.167 -12.619 540 HB3 ALA 76 HB3 ALA 76 8.630 5.609 -13.298 541 H LEU 77 HN LEU 77 6.126 3.543 -14.893 542 HA LEU 77 HA LEU 77 3.688 2.724 -13.453 543 HB2 LEU 77 HB2 LEU 77 3.772 3.530 -16.041 544 HB3 LEU 77 HB1 LEU 77 4.034 1.808 -16.236 545 HG LEU 77 HG LEU 77 1.693 2.234 -16.467 546 HD11 LEU 77 HD11 LEU 77 0.805 1.000 -14.412 547 HD12 LEU 77 HD12 LEU 77 2.485 0.945 -13.878 548 HD13 LEU 77 HD13 LEU 77 2.018 0.183 -15.398 549 HD21 LEU 77 HD21 LEU 77 1.331 3.262 -13.721 550 HD22 LEU 77 HD22 LEU 77 0.458 3.647 -15.204 551 HD23 LEU 77 HD23 LEU 77 2.034 4.375 -14.894 552 H LEU 78 HN LEU 78 4.888 1.373 -12.066 553 HA LEU 78 HA LEU 78 6.201 -0.927 -13.341 554 HB2 LEU 78 HB2 LEU 78 6.954 -1.302 -10.869 555 HB3 LEU 78 HB1 LEU 78 7.760 -0.107 -11.867 556 HG LEU 78 HG LEU 78 6.411 1.670 -10.821 557 HD11 LEU 78 HD11 LEU 78 4.428 0.884 -10.061 558 HD12 LEU 78 HD12 LEU 78 5.341 0.755 -8.557 559 HD13 LEU 78 HD13 LEU 78 5.103 -0.669 -9.570 560 HD21 LEU 78 HD21 LEU 78 8.590 0.387 -9.791 561 HD22 LEU 78 HD22 LEU 78 7.469 0.359 -8.429 562 HD23 LEU 78 HD23 LEU 78 7.912 1.894 -9.175 563 H GLU 79 HN GLU 79 6.047 -2.900 -11.602 564 HA GLU 79 HA GLU 79 3.239 -3.191 -10.806 565 HB2 GLU 79 HB2 GLU 79 3.238 -5.499 -11.778 566 HB3 GLU 79 HB1 GLU 79 3.294 -4.209 -12.972 567 HG2 GLU 79 HG2 GLU 79 5.939 -4.701 -12.584 568 HG3 GLU 79 HG1 GLU 79 5.241 -6.306 -12.367 569 H PHE 80 HN PHE 80 2.954 -4.204 -8.914 570 HA PHE 80 HA PHE 80 5.279 -4.962 -7.392 571 HB2 PHE 80 HB2 PHE 80 3.974 -4.681 -5.553 572 HB3 PHE 80 HB1 PHE 80 2.936 -3.821 -6.683 573 HD1 PHE 80 HD1 PHE 80 0.996 -5.052 -7.716 574 HD2 PHE 80 HD2 PHE 80 3.241 -6.607 -4.454 575 HE1 PHE 80 HE1 PHE 80 -0.841 -6.605 -7.199 576 HE2 PHE 80 HE2 PHE 80 1.410 -8.165 -3.930 577 HZ PHE 80 HZ PHE 80 -0.635 -8.165 -5.305 578 H VAL 81 HN VAL 81 5.676 -7.012 -6.469 579 HA VAL 81 HA VAL 81 4.529 -9.220 -8.029 580 HB VAL 81 HB VAL 81 6.501 -10.524 -7.135 581 HG11 VAL 81 HG11 VAL 81 8.035 -9.644 -8.769 582 HG12 VAL 81 HG12 VAL 81 7.192 -8.095 -8.782 583 HG13 VAL 81 HG13 VAL 81 6.394 -9.539 -9.406 584 HG21 VAL 81 HG21 VAL 81 8.356 -9.363 -6.181 585 HG22 VAL 81 HG22 VAL 81 6.927 -8.951 -5.234 586 HG23 VAL 81 HG23 VAL 81 7.568 -7.802 -6.408 587 H ARG 82 HN ARG 82 5.180 -8.124 -4.748 588 HA ARG 82 HA ARG 82 2.993 -9.330 -3.575 589 HB2 ARG 82 HB2 ARG 82 4.079 -11.209 -2.330 590 HB3 ARG 82 HB1 ARG 82 3.888 -11.490 -4.056 591 HG2 ARG 82 HG2 ARG 82 6.297 -10.530 -4.187 592 HG3 ARG 82 HG1 ARG 82 6.356 -10.976 -2.482 593 HD2 ARG 82 HD2 ARG 82 6.282 -13.210 -2.921 594 HD3 ARG 82 HD1 ARG 82 5.312 -13.000 -4.377 595 HE ARG 82 HE ARG 82 7.242 -12.991 -5.584 596 HH11 ARG 82 HH11 ARG 82 8.017 -12.150 -2.286 597 HH12 ARG 82 HH12 ARG 82 9.726 -12.121 -2.564 598 HH21 ARG 82 HH21 ARG 82 9.489 -12.954 -5.950 599 HH22 ARG 82 HH22 ARG 82 10.562 -12.577 -4.643 600 H VAL 83 HN VAL 83 3.145 -9.392 -1.150 601 HA VAL 83 HA VAL 83 4.730 -7.122 -0.274 602 HB VAL 83 HB VAL 83 3.364 -7.051 1.671 603 HG11 VAL 83 HG11 VAL 83 1.025 -7.654 0.268 604 HG12 VAL 83 HG12 VAL 83 2.200 -7.178 -0.958 605 HG13 VAL 83 HG13 VAL 83 1.833 -6.091 0.381 606 HG21 VAL 83 HG21 VAL 83 3.137 -9.174 2.516 607 HG22 VAL 83 HG22 VAL 83 2.701 -9.868 0.954 608 HG23 VAL 83 HG23 VAL 83 1.524 -8.911 1.853 609 H VAL 84 HN VAL 84 6.280 -7.166 1.309 610 HA VAL 84 HA VAL 84 7.158 -9.840 2.184 611 HB VAL 84 HB VAL 84 8.754 -8.826 0.639 612 HG11 VAL 84 HG11 VAL 84 8.066 -6.441 1.870 613 HG12 VAL 84 HG12 VAL 84 9.332 -6.679 0.666 614 HG13 VAL 84 HG13 VAL 84 9.729 -6.729 2.383 615 HG21 VAL 84 HG21 VAL 84 10.748 -9.056 1.989 616 HG22 VAL 84 HG22 VAL 84 9.555 -10.256 2.486 617 HG23 VAL 84 HG23 VAL 84 9.813 -8.812 3.464 618 H LYS 85 HN LYS 85 6.054 -6.780 3.206 619 HA LYS 85 HA LYS 85 6.484 -7.543 5.981 620 HB2 LYS 85 HB2 LYS 85 7.199 -4.740 5.180 621 HB3 LYS 85 HB1 LYS 85 7.606 -5.602 6.656 622 HG2 LYS 85 HG2 LYS 85 9.023 -7.121 5.177 623 HG3 LYS 85 HG1 LYS 85 8.817 -5.888 3.931 624 HD2 LYS 85 HD2 LYS 85 9.672 -4.223 5.650 625 HD3 LYS 85 HD1 LYS 85 10.147 -5.620 6.617 626 HE2 LYS 85 HE2 LYS 85 11.011 -5.776 3.831 627 HE3 LYS 85 HE1 LYS 85 11.685 -4.398 4.700 628 HZ1 LYS 85 HZ1 LYS 85 13.202 -6.028 5.169 629 HZ2 LYS 85 HZ2 LYS 85 12.053 -7.268 5.201 630 HZ3 LYS 85 HZ3 LYS 85 12.169 -6.191 6.499 631 H ALA 86 HN ALA 86 5.078 -6.501 7.454 632 HA ALA 86 HA ALA 86 3.102 -4.639 6.440 633 HB1 ALA 86 HB1 ALA 86 1.343 -6.351 7.525 634 HB2 ALA 86 HB2 ALA 86 2.522 -7.498 6.889 635 HB3 ALA 86 HB3 ALA 86 1.751 -6.338 5.809 636 H LYS 87 HN LYS 87 2.285 -3.351 8.012 637 HA LYS 87 HA LYS 87 2.440 -4.138 10.801 638 HB2 LYS 87 HB2 LYS 87 4.034 -1.848 9.655 639 HB3 LYS 87 HB1 LYS 87 3.632 -1.962 11.363 640 HG2 LYS 87 HG2 LYS 87 5.634 -2.980 11.472 641 HG3 LYS 87 HG1 LYS 87 4.697 -4.395 10.990 642 HD2 LYS 87 HD2 LYS 87 5.215 -3.528 8.570 643 HD3 LYS 87 HD1 LYS 87 6.549 -2.700 9.377 644 HE2 LYS 87 HE2 LYS 87 5.990 -5.662 9.502 645 HE3 LYS 87 HE1 LYS 87 7.213 -4.895 8.489 646 HZ1 LYS 87 HZ1 LYS 87 8.072 -3.951 10.699 647 HZ2 LYS 87 HZ2 LYS 87 8.393 -5.573 10.341 648 HZ3 LYS 87 HZ3 LYS 87 7.156 -5.176 11.424 649 H GLU 88 HN GLU 88 1.218 -2.772 12.203 650 HA GLU 88 HA GLU 88 -0.776 -1.160 10.758 651 HB2 GLU 88 HB2 GLU 88 -1.089 -2.375 13.502 652 HB3 GLU 88 HB1 GLU 88 -2.346 -1.686 12.484 653 HG2 GLU 88 HG2 GLU 88 -2.450 -3.525 11.125 654 HG3 GLU 88 HG1 GLU 88 -0.789 -4.007 11.467 655 H GLN 89 HN GLN 89 -1.518 0.797 11.681 656 HA GLN 89 HA GLN 89 -0.047 1.905 13.932 657 HB2 GLN 89 HB2 GLN 89 0.364 2.709 11.121 658 HB3 GLN 89 HB1 GLN 89 0.127 4.034 12.252 659 HG2 GLN 89 HG2 GLN 89 2.044 3.533 13.445 660 HG3 GLN 89 HG1 GLN 89 2.097 1.872 12.856 661 HE21 GLN 89 HE21 GLN 89 3.435 1.432 11.250 662 HE22 GLN 89 HE22 GLN 89 4.196 2.592 10.221 663 H VAL 90 HN VAL 90 -1.018 3.817 14.807 664 HA VAL 90 HA VAL 90 -3.773 4.284 13.865 665 HB VAL 90 HB VAL 90 -2.902 4.377 16.753 666 HG11 VAL 90 HG11 VAL 90 -4.786 5.734 16.519 667 HG12 VAL 90 HG12 VAL 90 -5.446 4.181 17.029 668 HG13 VAL 90 HG13 VAL 90 -5.529 4.660 15.334 669 HG21 VAL 90 HG21 VAL 90 -4.294 2.260 16.922 670 HG22 VAL 90 HG22 VAL 90 -2.712 2.103 16.159 671 HG23 VAL 90 HG23 VAL 90 -4.168 2.159 15.166 672 H VAL 91 HN VAL 91 -4.007 6.283 13.145 673 HA VAL 91 HA VAL 91 -3.137 8.543 14.696 674 HB VAL 91 HB VAL 91 -1.920 9.577 12.713 675 HG11 VAL 91 HG11 VAL 91 -0.885 8.664 14.837 676 HG12 VAL 91 HG12 VAL 91 0.178 8.771 13.434 677 HG13 VAL 91 HG13 VAL 91 -0.498 7.214 13.911 678 HG21 VAL 91 HG21 VAL 91 -2.414 8.182 10.908 679 HG22 VAL 91 HG22 VAL 91 -2.065 6.716 11.824 680 HG23 VAL 91 HG23 VAL 91 -0.748 7.771 11.312 681 H SER 92 HN SER 92 -5.141 9.411 14.723 682 HA SER 92 HA SER 92 -7.012 10.492 14.013 683 HB2 SER 92 HB2 SER 92 -5.432 10.843 11.452 684 HB3 SER 92 HB1 SER 92 -6.882 11.742 11.898 685 HG SER 92 HG SER 92 -5.074 12.955 12.432 686 H GLY 93 HN GLY 93 -6.619 7.580 13.515 687 HA2 GLY 93 HA2 GLY 93 -8.946 6.701 12.624 688 HA3 GLY 93 HA1 GLY 93 -8.188 7.124 11.096 689 H MET 94 HN MET 94 -7.079 5.578 10.107 690 HA MET 94 HA MET 94 -5.711 3.537 11.680 691 HB2 MET 94 HB2 MET 94 -7.809 2.933 9.592 692 HB3 MET 94 HB1 MET 94 -6.668 1.742 10.200 693 HG2 MET 94 HG2 MET 94 -8.472 3.265 12.042 694 HG3 MET 94 HG1 MET 94 -9.007 1.802 11.217 695 HE1 MET 94 HE1 MET 94 -7.644 1.795 15.195 696 HE2 MET 94 HE2 MET 94 -8.429 3.010 14.187 697 HE3 MET 94 HE3 MET 94 -6.677 3.032 14.391 698 H MET 95 HN MET 95 -3.694 3.571 10.965 699 HA MET 95 HA MET 95 -3.222 4.003 8.088 700 HB2 MET 95 HB2 MET 95 -2.275 5.523 10.144 701 HB3 MET 95 HB1 MET 95 -0.954 4.381 9.931 702 HG2 MET 95 HG2 MET 95 -0.696 5.014 7.636 703 HG3 MET 95 HG1 MET 95 -2.137 6.027 7.709 704 HE1 MET 95 HE1 MET 95 -0.718 9.027 7.512 705 HE2 MET 95 HE2 MET 95 -1.573 9.036 9.055 706 HE3 MET 95 HE3 MET 95 -2.168 8.047 7.723 707 H HIS 96 HN HIS 96 -2.293 2.406 6.971 708 HA HIS 96 HA HIS 96 -1.085 0.189 8.490 709 HB2 HIS 96 HB2 HIS 96 -3.262 -0.047 6.962 710 HB3 HIS 96 HB1 HIS 96 -2.045 -0.238 5.704 711 HD1 HIS 96 HD1 HIS 96 -1.996 -1.617 9.244 712 HD2 HIS 96 HD2 HIS 96 -2.036 -2.923 5.300 713 HE1 HIS 96 HE1 HIS 96 -1.733 -4.115 9.361 714 HE2 HIS 96 HE2 HIS 96 -1.673 -4.873 6.959 715 H TYR 97 HN TYR 97 1.012 -0.120 8.223 716 HA TYR 97 HA TYR 97 2.317 1.025 5.844 717 HB2 TYR 97 HB2 TYR 97 3.357 0.505 8.631 718 HB3 TYR 97 HB1 TYR 97 4.412 0.892 7.276 719 HD1 TYR 97 HD2 TYR 97 1.205 2.246 8.660 720 HD2 TYR 97 HD1 TYR 97 5.139 3.070 7.265 721 HE1 TYR 97 HE2 TYR 97 0.844 4.643 9.072 722 HE2 TYR 97 HE1 TYR 97 4.789 5.469 7.675 723 HH TYR 97 HH TYR 97 3.250 6.861 9.256 724 H LEU 98 HN LEU 98 2.624 -0.518 4.354 725 HA LEU 98 HA LEU 98 3.824 -3.045 5.251 726 HB2 LEU 98 HB2 LEU 98 2.510 -4.082 3.268 727 HB3 LEU 98 HB1 LEU 98 1.716 -3.842 4.810 728 HG LEU 98 HG LEU 98 0.314 -3.253 2.848 729 HD11 LEU 98 HD11 LEU 98 0.480 -0.628 4.025 730 HD12 LEU 98 HD12 LEU 98 0.617 -1.886 5.253 731 HD13 LEU 98 HD13 LEU 98 -0.778 -1.855 4.175 732 HD21 LEU 98 HD21 LEU 98 2.372 -2.279 1.619 733 HD22 LEU 98 HD22 LEU 98 1.981 -0.798 2.493 734 HD23 LEU 98 HD23 LEU 98 0.797 -1.516 1.402 735 H THR 99 HN THR 99 5.389 -3.911 3.969 736 HA THR 99 HA THR 99 6.288 -2.216 1.739 737 HB THR 99 HB THR 99 7.999 -4.258 3.132 738 HG1 THR 99 HG1 THR 99 7.133 -2.833 4.720 739 HG21 THR 99 HG21 THR 99 8.556 -2.725 0.991 740 HG22 THR 99 HG22 THR 99 9.762 -3.287 2.150 741 HG23 THR 99 HG23 THR 99 9.087 -1.664 2.296 742 H VAL 100 HN VAL 100 6.525 -3.054 -0.272 743 HA VAL 100 HA VAL 100 6.295 -5.960 -0.597 744 HB VAL 100 HB VAL 100 4.621 -5.848 -2.247 745 HG11 VAL 100 HG11 VAL 100 2.760 -5.089 -1.068 746 HG12 VAL 100 HG12 VAL 100 3.646 -3.747 -0.346 747 HG13 VAL 100 HG13 VAL 100 3.953 -5.397 0.193 748 HG21 VAL 100 HG21 VAL 100 3.783 -3.240 -2.582 749 HG22 VAL 100 HG22 VAL 100 4.739 -4.181 -3.726 750 HG23 VAL 100 HG23 VAL 100 5.542 -3.109 -2.578 751 H GLU 101 HN GLU 101 6.975 -6.730 -2.725 752 HA GLU 101 HA GLU 101 9.269 -5.210 -3.668 753 HB2 GLU 101 HB2 GLU 101 8.367 -8.036 -3.836 754 HB3 GLU 101 HB1 GLU 101 9.362 -7.439 -5.156 755 HG2 GLU 101 HG2 GLU 101 11.018 -6.684 -3.421 756 HG3 GLU 101 HG1 GLU 101 10.062 -7.578 -2.239 757 H VAL 102 HN VAL 102 9.444 -4.270 -5.636 758 HA VAL 102 HA VAL 102 7.185 -4.593 -7.498 759 HB VAL 102 HB VAL 102 8.652 -1.997 -7.059 760 HG11 VAL 102 HG11 VAL 102 6.524 -2.935 -8.859 761 HG12 VAL 102 HG12 VAL 102 7.695 -1.633 -9.063 762 HG13 VAL 102 HG13 VAL 102 6.241 -1.368 -8.101 763 HG21 VAL 102 HG21 VAL 102 6.171 -3.071 -5.766 764 HG22 VAL 102 HG22 VAL 102 6.408 -1.336 -5.981 765 HG23 VAL 102 HG23 VAL 102 7.556 -2.271 -5.023 766 H ASN 103 HN ASN 103 7.641 -4.376 -9.710 767 HA ASN 103 HA ASN 103 10.497 -4.436 -10.419 768 HB2 ASN 103 HB2 ASN 103 9.437 -6.709 -10.481 769 HB3 ASN 103 HB1 ASN 103 8.344 -6.111 -11.725 770 HD21 ASN 103 HD21 ASN 103 11.198 -7.678 -11.160 771 HD22 ASN 103 HD22 ASN 103 11.935 -7.484 -12.710 772 H ASP 104 HN ASP 104 11.065 -3.524 -12.408 773 HA ASP 104 HA ASP 104 8.972 -2.268 -14.002 774 HB2 ASP 104 HB2 ASP 104 9.952 -0.728 -12.089 775 HB3 ASP 104 HB1 ASP 104 11.280 -0.533 -13.230 776 H ALA 105 HN ALA 105 9.409 -3.157 -15.921 777 HA ALA 105 HA ALA 105 10.508 -3.787 -17.812 778 HB1 ALA 105 HB1 ALA 105 12.703 -1.849 -17.341 779 HB2 ALA 105 HB2 ALA 105 11.064 -1.211 -17.479 780 HB3 ALA 105 HB3 ALA 105 11.756 -2.159 -18.796 781 H GLY 106 HN GLY 106 11.227 -5.081 -15.277 782 HA2 GLY 106 HA2 GLY 106 12.644 -7.035 -15.235 783 HA3 GLY 106 HA1 GLY 106 13.853 -6.119 -16.121 784 H LYS 107 HN LYS 107 13.409 -3.744 -14.379 785 HA LYS 107 HA LYS 107 15.393 -4.356 -12.434 786 HB2 LYS 107 HB2 LYS 107 13.786 -1.955 -13.167 787 HB3 LYS 107 HB1 LYS 107 14.557 -1.977 -11.587 788 HG2 LYS 107 HG2 LYS 107 16.715 -2.150 -12.538 789 HG3 LYS 107 HG1 LYS 107 16.057 -2.497 -14.138 790 HD2 LYS 107 HD2 LYS 107 16.814 -0.210 -14.076 791 HD3 LYS 107 HD1 LYS 107 15.051 -0.231 -14.165 792 HE2 LYS 107 HE2 LYS 107 15.712 1.423 -12.560 793 HE3 LYS 107 HE1 LYS 107 14.981 0.069 -11.700 794 HZ1 LYS 107 HZ1 LYS 107 17.880 0.031 -12.056 795 HZ2 LYS 107 HZ2 LYS 107 16.944 -0.514 -10.757 796 HZ3 LYS 107 HZ3 LYS 107 17.251 1.139 -10.943 797 H LYS 108 HN LYS 108 14.967 -5.586 -10.722 798 HA LYS 108 HA LYS 108 12.348 -5.389 -9.423 799 HB2 LYS 108 HB2 LYS 108 13.112 -7.635 -10.038 800 HB3 LYS 108 HB1 LYS 108 14.567 -7.415 -9.076 801 HG2 LYS 108 HG2 LYS 108 13.387 -8.516 -7.519 802 HG3 LYS 108 HG1 LYS 108 12.686 -6.927 -7.211 803 HD2 LYS 108 HD2 LYS 108 10.924 -7.536 -8.937 804 HD3 LYS 108 HD1 LYS 108 11.543 -9.186 -8.836 805 HE2 LYS 108 HE2 LYS 108 10.965 -7.896 -6.256 806 HE3 LYS 108 HE1 LYS 108 9.560 -8.196 -7.278 807 HZ1 LYS 108 HZ1 LYS 108 11.559 -10.292 -6.656 808 HZ2 LYS 108 HZ2 LYS 108 10.016 -10.492 -7.319 809 HZ3 LYS 108 HZ3 LYS 108 10.187 -10.028 -5.702 810 H LYS 109 HN LYS 109 12.086 -4.758 -7.326 811 HA LYS 109 HA LYS 109 14.305 -4.399 -5.545 812 HB2 LYS 109 HB2 LYS 109 13.153 -2.087 -7.024 813 HB3 LYS 109 HB1 LYS 109 13.541 -1.854 -5.325 814 HG2 LYS 109 HG2 LYS 109 15.842 -2.844 -5.955 815 HG3 LYS 109 HG1 LYS 109 15.368 -2.462 -7.611 816 HD2 LYS 109 HD2 LYS 109 15.098 -0.137 -7.053 817 HD3 LYS 109 HD1 LYS 109 15.376 -0.474 -5.343 818 HE2 LYS 109 HE2 LYS 109 17.496 -1.364 -7.186 819 HE3 LYS 109 HE1 LYS 109 17.288 0.381 -7.050 820 HZ1 LYS 109 HZ1 LYS 109 17.345 -1.127 -4.558 821 HZ2 LYS 109 HZ2 LYS 109 17.996 0.391 -4.920 822 HZ3 LYS 109 HZ3 LYS 109 18.807 -1.013 -5.402 823 H LEU 110 HN LEU 110 13.519 -3.173 -3.508 824 HA LEU 110 HA LEU 110 10.766 -4.053 -2.932 825 HB2 LEU 110 HB2 LEU 110 12.278 -5.376 -1.658 826 HB3 LEU 110 HB1 LEU 110 13.227 -3.976 -1.198 827 HG LEU 110 HG LEU 110 11.517 -3.207 0.295 828 HD11 LEU 110 HD11 LEU 110 9.494 -3.614 -0.779 829 HD12 LEU 110 HD12 LEU 110 9.462 -4.719 0.595 830 HD13 LEU 110 HD13 LEU 110 9.850 -5.324 -1.015 831 HD21 LEU 110 HD21 LEU 110 11.881 -4.720 1.941 832 HD22 LEU 110 HD22 LEU 110 13.014 -5.371 0.757 833 HD23 LEU 110 HD23 LEU 110 11.415 -6.093 0.937 834 H TYR 111 HN TYR 111 9.364 -2.464 -2.574 835 HA TYR 111 HA TYR 111 10.386 0.090 -1.516 836 HB2 TYR 111 HB2 TYR 111 7.993 -0.199 -3.332 837 HB3 TYR 111 HB1 TYR 111 8.804 1.286 -2.850 838 HD1 TYR 111 HD1 TYR 111 11.666 0.206 -3.260 839 HD2 TYR 111 HD2 TYR 111 8.171 0.115 -5.687 840 HE1 TYR 111 HE1 TYR 111 13.072 0.089 -5.272 841 HE2 TYR 111 HE2 TYR 111 9.570 -0.004 -7.705 842 HH TYR 111 HH TYR 111 11.990 -0.835 -8.222 843 H GLU 112 HN GLU 112 9.140 1.187 -0.005 844 HA GLU 112 HA GLU 112 7.166 -0.487 1.372 845 HB2 GLU 112 HB2 GLU 112 9.324 0.815 2.376 846 HB3 GLU 112 HB1 GLU 112 8.073 2.022 2.639 847 HG2 GLU 112 HG2 GLU 112 6.959 -0.389 3.492 848 HG3 GLU 112 HG1 GLU 112 8.619 -0.402 4.085 849 H ALA 113 HN ALA 113 5.119 0.234 1.867 850 HA ALA 113 HA ALA 113 4.313 2.853 0.800 851 HB1 ALA 113 HB1 ALA 113 2.376 0.645 0.480 852 HB2 ALA 113 HB2 ALA 113 3.775 0.633 -0.594 853 HB3 ALA 113 HB3 ALA 113 2.701 2.032 -0.559 854 H LYS 114 HN LYS 114 2.882 3.967 2.033 855 HA LYS 114 HA LYS 114 1.734 2.566 4.357 856 HB2 LYS 114 HB2 LYS 114 1.981 4.696 5.626 857 HB3 LYS 114 HB1 LYS 114 3.511 3.953 5.180 858 HG2 LYS 114 HG2 LYS 114 3.268 5.553 3.100 859 HG3 LYS 114 HG1 LYS 114 2.273 6.472 4.230 860 HD2 LYS 114 HD2 LYS 114 4.398 7.360 4.558 861 HD3 LYS 114 HD1 LYS 114 4.256 6.176 5.858 862 HE2 LYS 114 HE2 LYS 114 5.570 4.587 4.643 863 HE3 LYS 114 HE1 LYS 114 5.559 5.603 3.203 864 HZ1 LYS 114 HZ1 LYS 114 7.096 7.020 4.077 865 HZ2 LYS 114 HZ2 LYS 114 7.591 5.587 4.825 866 HZ3 LYS 114 HZ3 LYS 114 6.662 6.710 5.682 867 H VAL 115 HN VAL 115 -0.401 2.515 4.258 868 HA VAL 115 HA VAL 115 -1.805 4.647 2.796 869 HB VAL 115 HB VAL 115 -2.903 1.941 3.560 870 HG11 VAL 115 HG11 VAL 115 -4.588 2.451 1.843 871 HG12 VAL 115 HG12 VAL 115 -3.857 4.040 1.615 872 HG13 VAL 115 HG13 VAL 115 -4.602 3.626 3.158 873 HG21 VAL 115 HG21 VAL 115 -1.158 1.416 2.090 874 HG22 VAL 115 HG22 VAL 115 -1.449 2.842 1.094 875 HG23 VAL 115 HG23 VAL 115 -2.587 1.496 1.059 876 H TRP 116 HN TRP 116 -3.684 5.589 3.669 877 HA TRP 116 HA TRP 116 -4.070 5.177 6.559 878 HB2 TRP 116 HB2 TRP 116 -2.805 7.257 6.132 879 HB3 TRP 116 HB1 TRP 116 -4.116 7.833 5.113 880 HD1 TRP 116 HD1 TRP 116 -4.164 6.345 8.707 881 HE1 TRP 116 HE1 TRP 116 -5.487 7.967 10.206 882 HE3 TRP 116 HE3 TRP 116 -5.199 9.976 5.260 883 HZ2 TRP 116 HZ2 TRP 116 -6.794 10.457 9.958 884 HZ3 TRP 116 HZ3 TRP 116 -6.492 11.944 5.971 885 HH2 TRP 116 HH2 TRP 116 -7.274 12.178 8.273 886 H GLU 117 HN GLU 117 -6.155 5.321 7.332 887 HA GLU 117 HA GLU 117 -8.329 6.087 5.587 888 HB2 GLU 117 HB2 GLU 117 -8.000 3.792 4.874 889 HB3 GLU 117 HB1 GLU 117 -8.013 3.236 6.542 890 HG2 GLU 117 HG2 GLU 117 -10.290 3.487 6.752 891 HG3 GLU 117 HG1 GLU 117 -10.385 4.680 5.458 892 H GLN 118 HN GLN 118 -9.792 7.117 6.784 893 HA GLN 118 HA GLN 118 -9.764 6.716 9.684 894 HB2 GLN 118 HB2 GLN 118 -11.259 8.900 8.264 895 HB3 GLN 118 HB1 GLN 118 -10.635 8.876 9.905 896 HG2 GLN 118 HG2 GLN 118 -9.105 10.246 8.957 897 HG3 GLN 118 HG1 GLN 118 -8.323 8.696 8.649 898 HE21 GLN 118 HE21 GLN 118 -7.702 8.320 6.647 899 HE22 GLN 118 HE22 GLN 118 -8.292 9.116 5.232 900 H VAL 119 HN VAL 119 -12.039 7.202 10.683 901 HA VAL 119 HA VAL 119 -13.996 5.515 9.263 902 HB VAL 119 HB VAL 119 -13.148 4.458 11.311 903 HG11 VAL 119 HG11 VAL 119 -13.480 5.394 13.482 904 HG12 VAL 119 HG12 VAL 119 -14.383 6.756 12.818 905 HG13 VAL 119 HG13 VAL 119 -12.655 6.603 12.497 906 HG21 VAL 119 HG21 VAL 119 -15.192 3.688 12.040 907 HG22 VAL 119 HG22 VAL 119 -15.625 4.396 10.484 908 HG23 VAL 119 HG23 VAL 119 -15.938 5.284 11.975 909 H TRP 120 HN TRP 120 -13.525 8.379 11.256 910 HA TRP 120 HA TRP 120 -16.316 9.124 11.131 911 HB2 TRP 120 HB2 TRP 120 -15.548 11.174 12.325 912 HB3 TRP 120 HB1 TRP 120 -15.098 9.680 13.141 913 HD1 TRP 120 HD1 TRP 120 -13.551 12.548 11.102 914 HE1 TRP 120 HE1 TRP 120 -11.022 12.606 11.574 915 HE3 TRP 120 HE3 TRP 120 -13.149 8.289 13.902 916 HZ2 TRP 120 HZ2 TRP 120 -9.110 11.052 12.950 917 HZ3 TRP 120 HZ3 TRP 120 -10.934 7.644 14.756 918 HH2 TRP 120 HH2 TRP 120 -8.957 8.998 14.288 919 H MET 121 HN MET 121 -13.474 9.640 9.267 920 HA MET 121 HA MET 121 -14.625 11.964 7.912 921 HB2 MET 121 HB2 MET 121 -12.252 12.067 8.580 922 HB3 MET 121 HB1 MET 121 -11.916 10.660 7.582 923 HG2 MET 121 HG2 MET 121 -11.372 12.132 6.007 924 HG3 MET 121 HG1 MET 121 -13.110 12.341 5.799 925 HE1 MET 121 HE1 MET 121 -9.847 14.201 7.619 926 HE2 MET 121 HE2 MET 121 -10.200 15.472 6.449 927 HE3 MET 121 HE3 MET 121 -10.027 13.802 5.911 928 H ASN 122 HN ASN 122 -14.059 8.578 7.517 929 HA ASN 122 HA ASN 122 -14.632 7.095 5.903 930 HB2 ASN 122 HB2 ASN 122 -16.442 9.397 5.339 931 HB3 ASN 122 HB1 ASN 122 -16.328 8.120 4.131 932 HD21 ASN 122 HD21 ASN 122 -16.363 8.169 7.680 933 HD22 ASN 122 HD22 ASN 122 -17.663 7.044 7.851 934 H PHE 123 HN PHE 123 -12.229 8.429 5.561 935 HA PHE 123 HA PHE 123 -12.049 8.518 2.627 936 HB2 PHE 123 HB2 PHE 123 -11.221 10.549 4.590 937 HB3 PHE 123 HB1 PHE 123 -9.992 10.147 3.395 938 HD1 PHE 123 HD2 PHE 123 -11.544 9.656 0.992 939 HD2 PHE 123 HD1 PHE 123 -12.062 12.614 4.007 940 HE1 PHE 123 HE2 PHE 123 -12.654 11.123 -0.643 941 HE2 PHE 123 HE1 PHE 123 -13.173 14.086 2.378 942 HZ PHE 123 HZ PHE 123 -13.469 13.341 0.049 943 H ARG 124 HN ARG 124 -10.344 7.460 1.725 944 HA ARG 124 HA ARG 124 -8.186 6.485 3.416 945 HB2 ARG 124 HB2 ARG 124 -8.491 4.177 2.886 946 HB3 ARG 124 HB1 ARG 124 -10.022 4.778 3.504 947 HG2 ARG 124 HG2 ARG 124 -10.738 3.562 1.710 948 HG3 ARG 124 HG1 ARG 124 -10.547 5.150 0.964 949 HD2 ARG 124 HD2 ARG 124 -8.040 4.032 0.729 950 HD3 ARG 124 HD1 ARG 124 -9.118 2.662 0.464 951 HE ARG 124 HE ARG 124 -8.733 4.933 -1.264 952 HH11 ARG 124 HH11 ARG 124 -10.886 2.335 -0.373 953 HH12 ARG 124 HH12 ARG 124 -11.702 2.321 -1.899 954 HH21 ARG 124 HH21 ARG 124 -9.806 4.915 -3.272 955 HH22 ARG 124 HH22 ARG 124 -11.089 3.785 -3.546 956 H GLN 125 HN GLN 125 -6.301 6.593 2.379 957 HA GLN 125 HA GLN 125 -6.046 6.035 -0.420 958 HB2 GLN 125 HB2 GLN 125 -5.240 8.249 -1.100 959 HB3 GLN 125 HB1 GLN 125 -6.915 8.311 -0.569 960 HG2 GLN 125 HG2 GLN 125 -4.856 8.865 1.473 961 HG3 GLN 125 HG1 GLN 125 -5.065 10.070 0.203 962 HE21 GLN 125 HE21 GLN 125 -5.593 10.631 2.850 963 HE22 GLN 125 HE22 GLN 125 -7.291 10.876 3.054 964 H LEU 126 HN LEU 126 -3.715 6.703 -1.152 965 HA LEU 126 HA LEU 126 -1.919 5.497 0.744 966 HB2 LEU 126 HB2 LEU 126 -1.691 4.915 -1.577 967 HB3 LEU 126 HB1 LEU 126 -1.512 6.598 -2.034 968 HG LEU 126 HG LEU 126 0.507 5.668 -0.116 969 HD11 LEU 126 HD11 LEU 126 0.926 3.715 -1.121 970 HD12 LEU 126 HD12 LEU 126 1.617 4.694 -2.415 971 HD13 LEU 126 HD13 LEU 126 -0.048 4.125 -2.532 972 HD21 LEU 126 HD21 LEU 126 1.019 6.851 -2.810 973 HD22 LEU 126 HD22 LEU 126 1.893 7.083 -1.296 974 HD23 LEU 126 HD23 LEU 126 0.320 7.845 -1.532 975 H GLN 127 HN GLN 127 -0.332 6.451 1.917 976 HA GLN 127 HA GLN 127 -0.413 9.360 2.088 977 HB2 GLN 127 HB2 GLN 127 0.263 7.157 3.910 978 HB3 GLN 127 HB1 GLN 127 1.335 8.544 4.036 979 HG2 GLN 127 HG2 GLN 127 -0.645 8.526 5.584 980 HG3 GLN 127 HG1 GLN 127 -0.427 9.986 4.622 981 HE21 GLN 127 HE21 GLN 127 -1.736 6.905 3.537 982 HE22 GLN 127 HE22 GLN 127 -3.323 7.492 3.189 983 H GLU 128 HN GLU 128 2.161 6.878 2.111 984 HA GLU 128 HA GLU 128 3.717 8.530 0.281 985 HB2 GLU 128 HB2 GLU 128 5.104 7.495 2.727 986 HB3 GLU 128 HB1 GLU 128 5.595 8.781 1.635 987 HG2 GLU 128 HG2 GLU 128 3.204 9.013 3.436 988 HG3 GLU 128 HG1 GLU 128 4.830 9.474 3.938 989 H PHE 129 HN PHE 129 5.525 7.429 -0.661 990 HA PHE 129 HA PHE 129 5.557 4.516 -0.355 991 HB2 PHE 129 HB2 PHE 129 4.098 5.445 -2.345 992 HB3 PHE 129 HB1 PHE 129 5.664 5.666 -3.118 993 HD1 PHE 129 HD2 PHE 129 7.087 3.722 -3.610 994 HD2 PHE 129 HD1 PHE 129 3.156 3.282 -2.040 995 HE1 PHE 129 HE2 PHE 129 7.085 1.358 -4.288 996 HE2 PHE 129 HE1 PHE 129 3.148 0.915 -2.715 997 HZ PHE 129 HZ PHE 129 5.115 -0.049 -3.841 998 H THR 130 HN THR 130 7.589 4.209 0.336 999 HA THR 130 HA THR 130 9.755 5.778 -0.858 1000 HB THR 130 HB THR 130 11.079 5.203 1.020 1001 HG1 THR 130 HG1 THR 130 9.166 3.173 1.444 1002 HG21 THR 130 HG21 THR 130 9.959 6.109 2.800 1003 HG22 THR 130 HG22 THR 130 8.442 5.305 2.396 1004 HG23 THR 130 HG23 THR 130 8.988 6.688 1.446 1005 H TYR 131 HN TYR 131 11.646 4.791 -1.667 1006 HA TYR 131 HA TYR 131 11.204 2.050 -2.638 1007 HB2 TYR 131 HB2 TYR 131 12.840 2.648 -4.428 1008 HB3 TYR 131 HB1 TYR 131 11.374 3.622 -4.456 1009 HD1 TYR 131 HD2 TYR 131 11.443 5.975 -3.661 1010 HD2 TYR 131 HD1 TYR 131 14.976 3.636 -4.045 1011 HE1 TYR 131 HE2 TYR 131 12.800 8.024 -3.589 1012 HE2 TYR 131 HE1 TYR 131 16.343 5.678 -3.973 1013 HH TYR 131 HH TYR 131 16.120 8.059 -4.387 1014 H LEU 132 HN LEU 132 12.248 0.616 -1.424 1015 HA LEU 132 HA LEU 132 14.720 1.321 -0.083 1016 HB2 LEU 132 HB2 LEU 132 13.586 -1.438 -0.032 1017 HB3 LEU 132 HB1 LEU 132 14.420 -0.554 1.232 1018 HG LEU 132 HG LEU 132 11.566 -0.154 0.338 1019 HD11 LEU 132 HD11 LEU 132 11.299 -1.870 1.761 1020 HD12 LEU 132 HD12 LEU 132 11.510 -0.632 2.999 1021 HD13 LEU 132 HD13 LEU 132 12.878 -1.632 2.511 1022 HD21 LEU 132 HD21 LEU 132 11.747 1.328 2.549 1023 HD22 LEU 132 HD22 LEU 132 12.022 1.986 0.936 1024 HD23 LEU 132 HD23 LEU 132 13.392 1.530 1.947 1025 H GLY 133 HN GLY 133 16.319 -0.732 -0.043 1026 HA2 GLY 133 HA2 GLY 133 17.558 -0.750 -2.577 1027 HA3 GLY 133 HA1 GLY 133 17.985 -1.783 -1.221 1028 H ASP 134 HN ASP 134 16.480 -3.669 -0.857 1029 HA ASP 134 HA ASP 134 14.799 -4.638 -2.885 1030 HB2 ASP 134 HB2 ASP 134 16.963 -4.741 -4.134 1031 HB3 ASP 134 HB1 ASP 134 17.557 -5.878 -2.927 1032 H ALA 135 HN ALA 135 14.143 -6.886 -2.523 1033 HA ALA 135 HA ALA 135 14.518 -7.632 0.297 1034 HB1 ALA 135 HB1 ALA 135 12.313 -8.627 -1.482 1035 HB2 ALA 135 HB2 ALA 135 12.204 -7.088 -0.628 1036 HB3 ALA 135 HB3 ALA 135 12.377 -8.590 0.280 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 12.176 -0.084 16.123 2 H2 MET 1 HT2 MET 1 10.935 -1.250 15.907 3 H3 MET 1 HT3 MET 1 10.535 0.410 16.077 4 HA MET 1 HA MET 1 11.878 -0.933 13.838 5 HB2 MET 1 HB2 MET 1 9.250 -0.590 14.363 6 HB3 MET 1 HB1 MET 1 9.590 0.928 13.543 7 HG2 MET 1 HG2 MET 1 8.782 -0.732 11.981 8 HG3 MET 1 HG1 MET 1 10.452 -0.298 11.619 9 HE1 MET 1 HE1 MET 1 9.140 -4.086 13.816 10 HE2 MET 1 HE2 MET 1 8.529 -2.445 14.026 11 HE3 MET 1 HE3 MET 1 10.067 -2.911 14.750 12 H ALA 2 HN ALA 2 12.189 0.624 11.978 13 HA ALA 2 HA ALA 2 14.021 2.616 12.691 14 HB1 ALA 2 HB1 ALA 2 13.514 3.376 10.223 15 HB2 ALA 2 HB2 ALA 2 12.645 1.843 10.167 16 HB3 ALA 2 HB3 ALA 2 14.365 1.867 10.555 17 H ASP 3 HN ASP 3 10.570 2.741 12.141 18 HA ASP 3 HA ASP 3 9.021 4.379 12.441 19 HB2 ASP 3 HB2 ASP 3 11.261 5.307 14.204 20 HB3 ASP 3 HB1 ASP 3 9.853 6.338 13.967 21 H GLU 4 HN GLU 4 9.193 4.825 10.153 22 HA GLU 4 HA GLU 4 10.877 6.957 9.231 23 HB2 GLU 4 HB2 GLU 4 8.720 5.275 8.007 24 HB3 GLU 4 HB1 GLU 4 9.273 6.723 7.176 25 HG2 GLU 4 HG2 GLU 4 10.434 4.775 6.348 26 HG3 GLU 4 HG1 GLU 4 11.556 5.853 7.177 27 H GLN 5 HN GLN 5 7.350 6.726 8.887 28 HA GLN 5 HA GLN 5 7.126 9.473 9.911 29 HB2 GLN 5 HB2 GLN 5 5.535 8.488 7.549 30 HB3 GLN 5 HB1 GLN 5 5.697 10.137 8.135 31 HG2 GLN 5 HG2 GLN 5 8.293 9.394 7.575 32 HG3 GLN 5 HG1 GLN 5 7.354 8.645 6.283 33 HE21 GLN 5 HE21 GLN 5 7.714 11.719 8.008 34 HE22 GLN 5 HE22 GLN 5 7.450 12.724 6.628 35 HA PRO 6 HA PRO 6 3.972 6.404 11.660 36 HB2 PRO 6 HB2 PRO 6 4.818 6.441 14.235 37 HB3 PRO 6 HB1 PRO 6 5.448 5.303 13.038 38 HG2 PRO 6 HG2 PRO 6 6.637 7.869 14.022 39 HG3 PRO 6 HG1 PRO 6 7.429 6.309 13.728 40 HD2 PRO 6 HD2 PRO 6 7.558 8.367 11.970 41 HD3 PRO 6 HD1 PRO 6 7.574 6.668 11.457 42 H LYS 7 HN LYS 7 5.300 9.472 12.727 43 HA LYS 7 HA LYS 7 2.600 10.278 13.577 44 HB2 LYS 7 HB2 LYS 7 5.189 10.530 15.023 45 HB3 LYS 7 HB1 LYS 7 4.055 11.868 15.150 46 HG2 LYS 7 HG2 LYS 7 2.371 9.892 15.692 47 HG3 LYS 7 HG1 LYS 7 3.866 9.108 16.208 48 HD2 LYS 7 HD2 LYS 7 3.008 10.185 18.126 49 HD3 LYS 7 HD1 LYS 7 4.334 11.202 17.558 50 HE2 LYS 7 HE2 LYS 7 2.549 12.662 18.101 51 HE3 LYS 7 HE1 LYS 7 2.610 12.575 16.341 52 HZ1 LYS 7 HZ1 LYS 7 0.894 10.620 16.856 53 HZ2 LYS 7 HZ2 LYS 7 0.415 12.222 16.599 54 HZ3 LYS 7 HZ3 LYS 7 0.565 11.628 18.175 55 H LYS 8 HN LYS 8 2.031 11.487 11.846 56 HA LYS 8 HA LYS 8 3.045 14.090 11.568 57 HB2 LYS 8 HB2 LYS 8 4.273 12.020 9.863 58 HB3 LYS 8 HB1 LYS 8 3.720 13.453 9.008 59 HG2 LYS 8 HG2 LYS 8 5.025 14.599 11.069 60 HG3 LYS 8 HG1 LYS 8 5.956 13.111 10.885 61 HD2 LYS 8 HD2 LYS 8 6.405 13.607 8.581 62 HD3 LYS 8 HD1 LYS 8 5.311 14.991 8.618 63 HE2 LYS 8 HE2 LYS 8 7.468 15.017 10.623 64 HE3 LYS 8 HE1 LYS 8 7.990 15.160 8.944 65 HZ1 LYS 8 HZ1 LYS 8 6.362 16.995 10.548 66 HZ2 LYS 8 HZ2 LYS 8 6.080 16.924 8.882 67 HZ3 LYS 8 HZ3 LYS 8 7.614 17.334 9.462 68 HA PRO 9 HA PRO 9 -0.762 14.681 9.440 69 HB2 PRO 9 HB2 PRO 9 -0.167 16.490 7.495 70 HB3 PRO 9 HB1 PRO 9 -0.278 16.912 9.207 71 HG2 PRO 9 HG2 PRO 9 2.150 16.351 7.548 72 HG3 PRO 9 HG1 PRO 9 1.888 17.625 8.754 73 HD2 PRO 9 HD2 PRO 9 3.275 15.375 9.311 74 HD3 PRO 9 HD1 PRO 9 2.280 16.201 10.529 75 H VAL 10 HN VAL 10 -1.740 14.833 7.111 76 HA VAL 10 HA VAL 10 -0.354 12.962 5.317 77 HB VAL 10 HB VAL 10 -2.294 11.652 4.939 78 HG11 VAL 10 HG11 VAL 10 -2.631 10.606 7.034 79 HG12 VAL 10 HG12 VAL 10 -2.291 12.097 7.912 80 HG13 VAL 10 HG13 VAL 10 -0.993 11.260 7.061 81 HG21 VAL 10 HG21 VAL 10 -4.401 12.219 6.365 82 HG22 VAL 10 HG22 VAL 10 -4.112 13.065 4.844 83 HG23 VAL 10 HG23 VAL 10 -3.721 13.847 6.376 84 HA PRO 11 HA PRO 11 -1.544 15.762 2.123 85 HB2 PRO 11 HB2 PRO 11 -1.623 14.147 -0.030 86 HB3 PRO 11 HB1 PRO 11 -0.108 14.534 0.794 87 HG2 PRO 11 HG2 PRO 11 -1.811 12.082 1.016 88 HG3 PRO 11 HG1 PRO 11 -0.046 12.212 0.903 89 HD2 PRO 11 HD2 PRO 11 -1.382 11.831 3.256 90 HD3 PRO 11 HD1 PRO 11 0.186 12.653 3.144 91 H ALA 12 HN ALA 12 -3.068 15.516 -0.060 92 HA ALA 12 HA ALA 12 -5.649 14.382 0.703 93 HB1 ALA 12 HB1 ALA 12 -5.720 16.642 1.598 94 HB2 ALA 12 HB2 ALA 12 -6.830 16.480 0.237 95 HB3 ALA 12 HB3 ALA 12 -5.283 17.297 0.020 96 H ALA 13 HN ALA 13 -6.365 13.260 -0.973 97 HA ALA 13 HA ALA 13 -6.681 14.297 -3.564 98 HB1 ALA 13 HB1 ALA 13 -4.125 13.891 -3.371 99 HB2 ALA 13 HB2 ALA 13 -4.977 13.373 -4.825 100 HB3 ALA 13 HB3 ALA 13 -4.556 12.194 -3.583 101 H GLU 14 HN GLU 14 -7.206 12.468 -5.173 102 HA GLU 14 HA GLU 14 -7.851 9.887 -4.294 103 HB2 GLU 14 HB2 GLU 14 -9.516 11.496 -3.023 104 HB3 GLU 14 HB1 GLU 14 -10.377 11.461 -4.556 105 HG2 GLU 14 HG2 GLU 14 -10.220 8.909 -4.354 106 HG3 GLU 14 HG1 GLU 14 -9.815 9.211 -2.665 107 H GLU 15 HN GLU 15 -7.188 9.194 -6.273 108 HA GLU 15 HA GLU 15 -9.030 9.136 -8.390 109 HB2 GLU 15 HB2 GLU 15 -7.805 10.473 -10.067 110 HB3 GLU 15 HB1 GLU 15 -8.426 11.458 -8.750 111 HG2 GLU 15 HG2 GLU 15 -6.361 11.975 -7.973 112 HG3 GLU 15 HG1 GLU 15 -5.659 10.443 -8.492 113 H ALA 16 HN ALA 16 -7.763 8.446 -10.531 114 HA ALA 16 HA ALA 16 -5.514 6.709 -9.796 115 HB1 ALA 16 HB1 ALA 16 -8.182 5.861 -10.588 116 HB2 ALA 16 HB2 ALA 16 -6.870 4.937 -9.857 117 HB3 ALA 16 HB3 ALA 16 -6.915 5.173 -11.604 118 HA PRO 17 HA PRO 17 -3.740 7.856 -13.663 119 HB2 PRO 17 HB2 PRO 17 -2.684 5.568 -14.643 120 HB3 PRO 17 HB1 PRO 17 -2.025 6.384 -13.220 121 HG2 PRO 17 HG2 PRO 17 -3.852 4.017 -13.370 122 HG3 PRO 17 HG1 PRO 17 -2.444 4.279 -12.325 123 HD2 PRO 17 HD2 PRO 17 -5.001 4.628 -11.474 124 HD3 PRO 17 HD1 PRO 17 -3.634 5.560 -10.830 125 H ALA 18 HN ALA 18 -3.538 7.075 -16.082 126 HA ALA 18 HA ALA 18 -6.260 6.379 -16.961 127 HB1 ALA 18 HB1 ALA 18 -5.552 7.514 -19.112 128 HB2 ALA 18 HB2 ALA 18 -4.132 8.081 -18.232 129 HB3 ALA 18 HB3 ALA 18 -5.745 8.559 -17.704 130 H ALA 19 HN ALA 19 -6.010 4.141 -16.987 131 HA ALA 19 HA ALA 19 -5.010 3.024 -19.369 132 HB1 ALA 19 HB1 ALA 19 -3.255 1.547 -18.211 133 HB2 ALA 19 HB2 ALA 19 -3.253 2.782 -16.952 134 HB3 ALA 19 HB3 ALA 19 -2.815 3.208 -18.607 135 H GLU 20 HN GLU 20 -5.789 2.434 -15.972 136 HA GLU 20 HA GLU 20 -7.099 0.880 -14.950 137 HB2 GLU 20 HB2 GLU 20 -8.244 1.049 -17.691 138 HB3 GLU 20 HB1 GLU 20 -8.755 -0.297 -16.682 139 HG2 GLU 20 HG2 GLU 20 -10.334 1.154 -16.026 140 HG3 GLU 20 HG1 GLU 20 -9.065 1.717 -14.939 141 H ALA 21 HN ALA 21 -7.943 -1.573 -15.377 142 HA ALA 21 HA ALA 21 -7.314 -3.758 -15.481 143 HB1 ALA 21 HB1 ALA 21 -7.186 -3.154 -17.921 144 HB2 ALA 21 HB2 ALA 21 -6.189 -4.522 -17.426 145 HB3 ALA 21 HB3 ALA 21 -5.448 -2.945 -17.699 146 H GLU 22 HN GLU 22 -4.978 -5.073 -15.901 147 HA GLU 22 HA GLU 22 -3.073 -3.821 -14.037 148 HB2 GLU 22 HB2 GLU 22 -4.346 -6.513 -13.940 149 HB3 GLU 22 HB1 GLU 22 -2.669 -6.381 -13.430 150 HG2 GLU 22 HG2 GLU 22 -3.379 -4.571 -11.858 151 HG3 GLU 22 HG1 GLU 22 -5.049 -4.954 -12.277 152 H ALA 23 HN ALA 23 -3.532 -6.301 -16.533 153 HA ALA 23 HA ALA 23 -2.159 -7.101 -18.161 154 HB1 ALA 23 HB1 ALA 23 -1.935 -4.482 -18.377 155 HB2 ALA 23 HB2 ALA 23 -0.922 -5.572 -19.326 156 HB3 ALA 23 HB3 ALA 23 -0.279 -4.815 -17.868 157 H GLU 24 HN GLU 24 0.523 -7.131 -18.577 158 HA GLU 24 HA GLU 24 2.439 -8.186 -17.954 159 HB2 GLU 24 HB2 GLU 24 1.641 -6.703 -15.499 160 HB3 GLU 24 HB1 GLU 24 2.898 -7.922 -15.338 161 HG2 GLU 24 HG2 GLU 24 3.065 -5.821 -17.459 162 HG3 GLU 24 HG1 GLU 24 3.571 -5.485 -15.804 163 H GLU 25 HN GLU 25 3.285 -9.760 -16.026 164 HA GLU 25 HA GLU 25 1.152 -11.577 -15.218 165 HB2 GLU 25 HB2 GLU 25 1.842 -12.367 -17.442 166 HB3 GLU 25 HB1 GLU 25 3.509 -12.466 -16.891 167 HG2 GLU 25 HG2 GLU 25 2.541 -14.057 -15.083 168 HG3 GLU 25 HG1 GLU 25 1.181 -14.196 -16.196 169 H GLU 26 HN GLU 26 1.683 -10.945 -13.099 170 HA GLU 26 HA GLU 26 4.331 -11.804 -12.147 171 HB2 GLU 26 HB2 GLU 26 3.985 -10.334 -10.237 172 HB3 GLU 26 HB1 GLU 26 3.792 -9.438 -11.738 173 HG2 GLU 26 HG2 GLU 26 1.281 -9.899 -11.444 174 HG3 GLU 26 HG1 GLU 26 1.702 -10.296 -9.779 175 H GLU 27 HN GLU 27 0.868 -11.932 -11.419 176 HA GLU 27 HA GLU 27 1.246 -14.524 -10.162 177 HB2 GLU 27 HB2 GLU 27 0.455 -12.060 -8.695 178 HB3 GLU 27 HB1 GLU 27 -0.386 -13.550 -8.288 179 HG2 GLU 27 HG2 GLU 27 2.521 -13.819 -8.431 180 HG3 GLU 27 HG1 GLU 27 1.953 -12.709 -7.185 181 H GLY 28 HN GLY 28 -0.835 -15.610 -9.715 182 HA2 GLY 28 HA2 GLY 28 -2.687 -15.072 -11.883 183 HA3 GLY 28 HA1 GLY 28 -2.708 -16.465 -10.812 184 H LEU 29 HN LEU 29 -2.988 -12.933 -10.386 185 HA LEU 29 HA LEU 29 -5.317 -13.431 -8.659 186 HB2 LEU 29 HB2 LEU 29 -3.136 -12.136 -7.929 187 HB3 LEU 29 HB1 LEU 29 -3.918 -10.797 -8.747 188 HG LEU 29 HG LEU 29 -4.321 -10.833 -6.301 189 HD11 LEU 29 HD11 LEU 29 -5.918 -9.868 -8.022 190 HD12 LEU 29 HD12 LEU 29 -6.588 -10.228 -6.430 191 HD13 LEU 29 HD13 LEU 29 -6.888 -11.322 -7.781 192 HD21 LEU 29 HD21 LEU 29 -4.439 -13.421 -6.327 193 HD22 LEU 29 HD22 LEU 29 -6.139 -13.171 -6.723 194 HD23 LEU 29 HD23 LEU 29 -5.478 -12.523 -5.221 195 H HIS 30 HN HIS 30 -7.269 -12.740 -9.264 196 HA HIS 30 HA HIS 30 -7.509 -10.587 -11.221 197 HB2 HIS 30 HB2 HIS 30 -7.501 -12.953 -12.311 198 HB3 HIS 30 HB1 HIS 30 -9.122 -13.086 -11.637 199 HD1 HIS 30 HD1 HIS 30 -7.299 -11.797 -14.507 200 HD2 HIS 30 HD2 HIS 30 -10.921 -10.996 -12.634 201 HE1 HIS 30 HE1 HIS 30 -8.649 -10.496 -16.183 202 HE2 HIS 30 HE2 HIS 30 -10.868 -10.098 -15.059 203 H LEU 31 HN LEU 31 -8.651 -9.171 -10.053 204 HA LEU 31 HA LEU 31 -11.166 -10.111 -8.848 205 HB2 LEU 31 HB2 LEU 31 -9.085 -9.365 -7.335 206 HB3 LEU 31 HB1 LEU 31 -9.790 -7.786 -7.623 207 HG LEU 31 HG LEU 31 -10.543 -8.830 -5.505 208 HD11 LEU 31 HD11 LEU 31 -12.573 -7.864 -5.659 209 HD12 LEU 31 HD12 LEU 31 -13.011 -8.760 -7.114 210 HD13 LEU 31 HD13 LEU 31 -11.968 -7.343 -7.232 211 HD21 LEU 31 HD21 LEU 31 -10.635 -11.152 -6.856 212 HD22 LEU 31 HD22 LEU 31 -12.334 -10.687 -6.935 213 HD23 LEU 31 HD23 LEU 31 -11.538 -10.853 -5.370 214 H GLU 32 HN GLU 32 -12.941 -8.813 -9.111 215 HA GLU 32 HA GLU 32 -12.562 -6.290 -10.573 216 HB2 GLU 32 HB2 GLU 32 -13.421 -8.495 -11.850 217 HB3 GLU 32 HB1 GLU 32 -14.959 -7.905 -11.236 218 HG2 GLU 32 HG2 GLU 32 -15.016 -6.185 -12.665 219 HG3 GLU 32 HG1 GLU 32 -13.292 -5.858 -12.501 220 H ASP 33 HN ASP 33 -13.042 -4.949 -8.894 221 HA ASP 33 HA ASP 33 -15.731 -5.228 -7.719 222 HB2 ASP 33 HB2 ASP 33 -13.105 -4.622 -6.464 223 HB3 ASP 33 HB1 ASP 33 -14.505 -3.747 -5.851 224 H ASP 34 HN ASP 34 -13.287 -2.645 -7.686 225 HA ASP 34 HA ASP 34 -14.953 -0.946 -9.341 226 HB2 ASP 34 HB2 ASP 34 -14.885 0.891 -7.580 227 HB3 ASP 34 HB1 ASP 34 -15.996 -0.440 -7.271 228 H GLN 35 HN GLN 35 -12.149 -0.997 -7.148 229 HA GLN 35 HA GLN 35 -10.281 -0.372 -9.144 230 HB2 GLN 35 HB2 GLN 35 -11.699 1.845 -8.690 231 HB3 GLN 35 HB1 GLN 35 -10.542 2.007 -7.376 232 HG2 GLN 35 HG2 GLN 35 -9.257 3.026 -8.879 233 HG3 GLN 35 HG1 GLN 35 -8.918 1.404 -9.480 234 HE21 GLN 35 HE21 GLN 35 -9.246 1.087 -11.556 235 HE22 GLN 35 HE22 GLN 35 -10.281 2.017 -12.580 236 H GLU 36 HN GLU 36 -9.552 -2.204 -7.811 237 HA GLU 36 HA GLU 36 -8.141 -3.135 -6.290 238 HB2 GLU 36 HB2 GLU 36 -7.221 -0.277 -6.297 239 HB3 GLU 36 HB1 GLU 36 -6.492 -1.446 -5.205 240 HG2 GLU 36 HG2 GLU 36 -5.186 -1.193 -7.238 241 HG3 GLU 36 HG1 GLU 36 -5.832 -2.827 -7.090 242 HA PRO 37 HA PRO 37 -11.191 -2.161 -2.919 243 HB2 PRO 37 HB2 PRO 37 -10.445 -5.001 -2.402 244 HB3 PRO 37 HB1 PRO 37 -12.036 -4.232 -2.374 245 HG2 PRO 37 HG2 PRO 37 -11.317 -5.779 -4.416 246 HG3 PRO 37 HG1 PRO 37 -12.256 -4.298 -4.682 247 HD2 PRO 37 HD2 PRO 37 -9.358 -4.820 -5.167 248 HD3 PRO 37 HD1 PRO 37 -10.495 -3.815 -6.088 249 H ARG 38 HN ARG 38 -10.924 -2.738 -0.506 250 HA ARG 38 HA ARG 38 -8.084 -2.700 0.256 251 HB2 ARG 38 HB2 ARG 38 -8.526 -0.973 1.915 252 HB3 ARG 38 HB1 ARG 38 -8.956 -0.399 0.310 253 HG2 ARG 38 HG2 ARG 38 -10.782 0.316 1.441 254 HG3 ARG 38 HG1 ARG 38 -11.339 -1.309 1.034 255 HD2 ARG 38 HD2 ARG 38 -11.127 -2.068 3.176 256 HD3 ARG 38 HD1 ARG 38 -9.806 -0.962 3.552 257 HE ARG 38 HE ARG 38 -11.349 0.512 4.349 258 HH11 ARG 38 HH11 ARG 38 -12.972 -1.713 2.206 259 HH12 ARG 38 HH12 ARG 38 -14.549 -1.081 2.541 260 HH21 ARG 38 HH21 ARG 38 -13.422 1.345 4.791 261 HH22 ARG 38 HH22 ARG 38 -14.805 0.656 4.008 262 H GLU 39 HN GLU 39 -8.192 -2.673 2.913 263 HA GLU 39 HA GLU 39 -10.022 -4.836 3.698 264 HB2 GLU 39 HB2 GLU 39 -7.434 -5.355 3.183 265 HB3 GLU 39 HB1 GLU 39 -7.295 -4.864 4.865 266 HG2 GLU 39 HG2 GLU 39 -9.457 -6.764 4.332 267 HG3 GLU 39 HG1 GLU 39 -7.838 -7.382 4.011 268 H HIS 40 HN HIS 40 -9.992 -5.133 6.148 269 HA HIS 40 HA HIS 40 -10.063 -2.466 7.381 270 HB2 HIS 40 HB2 HIS 40 -11.548 -3.630 9.088 271 HB3 HIS 40 HB1 HIS 40 -12.218 -3.451 7.470 272 HD1 HIS 40 HD1 HIS 40 -11.123 -5.997 9.941 273 HD2 HIS 40 HD2 HIS 40 -12.472 -5.866 6.013 274 HE1 HIS 40 HE1 HIS 40 -11.701 -8.371 9.350 275 HE2 HIS 40 HE2 HIS 40 -12.433 -8.280 6.941 276 HA PRO 41 HA PRO 41 -6.439 -4.397 9.453 277 HB2 PRO 41 HB2 PRO 41 -5.166 -2.045 9.927 278 HB3 PRO 41 HB1 PRO 41 -5.040 -2.915 8.393 279 HG2 PRO 41 HG2 PRO 41 -6.765 -0.575 9.108 280 HG3 PRO 41 HG1 PRO 41 -5.821 -0.860 7.634 281 HD2 PRO 41 HD2 PRO 41 -8.491 -1.282 7.752 282 HD3 PRO 41 HD1 PRO 41 -7.417 -2.260 6.732 283 H ILE 42 HN ILE 42 -5.568 -4.056 11.639 284 HA ILE 42 HA ILE 42 -7.585 -2.865 13.427 285 HB ILE 42 HB ILE 42 -7.444 -5.315 13.615 286 HG12 ILE 42 HG12 ILE 42 -6.283 -3.965 16.060 287 HG13 ILE 42 HG11 ILE 42 -7.974 -3.846 15.583 288 HG21 ILE 42 HG21 ILE 42 -5.018 -5.423 12.981 289 HG22 ILE 42 HG22 ILE 42 -5.485 -6.443 14.341 290 HG23 ILE 42 HG23 ILE 42 -4.639 -4.922 14.629 291 HD11 ILE 42 HD11 ILE 42 -7.154 -6.594 15.679 292 HD12 ILE 42 HD12 ILE 42 -8.439 -5.771 16.563 293 HD13 ILE 42 HD13 ILE 42 -6.796 -5.781 17.202 294 H MET 43 HN MET 43 -6.788 -1.995 15.463 295 HA MET 43 HA MET 43 -4.699 -0.175 15.136 296 HB2 MET 43 HB2 MET 43 -4.868 0.133 17.616 297 HB3 MET 43 HB1 MET 43 -6.402 0.256 16.764 298 HG2 MET 43 HG2 MET 43 -6.393 -2.370 17.387 299 HG3 MET 43 HG1 MET 43 -5.487 -1.707 18.746 300 HE1 MET 43 HE1 MET 43 -9.801 -2.129 18.501 301 HE2 MET 43 HE2 MET 43 -8.475 -2.963 17.692 302 HE3 MET 43 HE3 MET 43 -9.204 -1.538 16.951 303 H GLY 44 HN GLY 44 -2.840 -0.053 16.835 304 HA2 GLY 44 HA2 GLY 44 -1.430 -1.725 18.170 305 HA3 GLY 44 HA1 GLY 44 -1.395 -2.615 16.655 306 H GLY 45 HN GLY 45 0.750 -1.325 18.310 307 HA2 GLY 45 HA2 GLY 45 1.741 0.956 16.987 308 HA3 GLY 45 HA1 GLY 45 2.693 -0.153 17.964 309 H ILE 46 HN ILE 46 4.351 0.390 16.331 310 HA ILE 46 HA ILE 46 4.025 -0.612 13.659 311 HB ILE 46 HB ILE 46 6.609 0.146 15.019 312 HG12 ILE 46 HG12 ILE 46 4.940 1.967 15.190 313 HG13 ILE 46 HG11 ILE 46 6.285 2.393 14.136 314 HG21 ILE 46 HG21 ILE 46 5.810 0.065 12.113 315 HG22 ILE 46 HG22 ILE 46 6.870 -1.081 12.933 316 HG23 ILE 46 HG23 ILE 46 7.371 0.599 12.737 317 HD11 ILE 46 HD11 ILE 46 3.515 2.425 13.572 318 HD12 ILE 46 HD12 ILE 46 4.269 1.210 12.539 319 HD13 ILE 46 HD13 ILE 46 4.860 2.871 12.522 320 H TYR 47 HN TYR 47 3.337 -2.787 14.548 321 HA TYR 47 HA TYR 47 5.331 -4.689 14.045 322 HB2 TYR 47 HB2 TYR 47 6.185 -4.027 16.254 323 HB3 TYR 47 HB1 TYR 47 4.621 -4.400 16.971 324 HD1 TYR 47 HD1 TYR 47 7.498 -5.922 15.185 325 HD2 TYR 47 HD2 TYR 47 4.118 -6.582 17.682 326 HE1 TYR 47 HE1 TYR 47 8.225 -8.243 15.546 327 HE2 TYR 47 HE2 TYR 47 4.836 -8.905 18.051 328 HH TYR 47 HH TYR 47 7.918 -10.030 17.224 329 H ASP 48 HN ASP 48 2.315 -4.014 15.752 330 HA ASP 48 HA ASP 48 1.283 -6.666 15.457 331 HB2 ASP 48 HB2 ASP 48 -0.302 -4.150 15.989 332 HB3 ASP 48 HB1 ASP 48 -0.749 -5.805 16.391 333 H ALA 49 HN ALA 49 0.848 -7.470 13.510 334 HA ALA 49 HA ALA 49 -1.179 -6.412 11.871 335 HB1 ALA 49 HB1 ALA 49 1.550 -6.138 10.631 336 HB2 ALA 49 HB2 ALA 49 0.681 -4.793 11.369 337 HB3 ALA 49 HB3 ALA 49 -0.001 -5.621 9.969 338 HA PRO 50 HA PRO 50 0.134 -10.972 11.605 339 HB2 PRO 50 HB2 PRO 50 -2.838 -11.103 11.795 340 HB3 PRO 50 HB1 PRO 50 -1.616 -12.138 12.543 341 HG2 PRO 50 HG2 PRO 50 -2.907 -10.309 13.982 342 HG3 PRO 50 HG1 PRO 50 -1.180 -10.620 14.242 343 HD2 PRO 50 HD2 PRO 50 -2.509 -8.339 12.852 344 HD3 PRO 50 HD1 PRO 50 -1.038 -8.354 13.845 345 H LEU 51 HN LEU 51 -2.183 -8.883 10.025 346 HA LEU 51 HA LEU 51 -2.942 -8.751 7.887 347 HB2 LEU 51 HB2 LEU 51 -0.288 -9.190 7.690 348 HB3 LEU 51 HB1 LEU 51 -0.884 -10.596 6.828 349 HG LEU 51 HG LEU 51 -1.763 -7.802 6.133 350 HD11 LEU 51 HD11 LEU 51 0.070 -7.405 4.907 351 HD12 LEU 51 HD12 LEU 51 0.209 -9.085 4.388 352 HD13 LEU 51 HD13 LEU 51 0.834 -8.593 5.962 353 HD21 LEU 51 HD21 LEU 51 -3.217 -9.086 4.983 354 HD22 LEU 51 HD22 LEU 51 -2.186 -10.514 5.064 355 HD23 LEU 51 HD23 LEU 51 -1.861 -9.259 3.868 356 H ASN 52 HN ASN 52 -4.595 -10.256 9.027 357 HA ASN 52 HA ASN 52 -4.718 -12.989 8.469 358 HB2 ASN 52 HB2 ASN 52 -6.924 -10.974 8.916 359 HB3 ASN 52 HB1 ASN 52 -7.198 -12.710 8.816 360 HD21 ASN 52 HD21 ASN 52 -6.165 -10.104 10.764 361 HD22 ASN 52 HD22 ASN 52 -5.826 -11.009 12.195 362 H ASN 53 HN ASN 53 -5.471 -10.220 6.494 363 HA ASN 53 HA ASN 53 -6.849 -11.779 4.486 364 HB2 ASN 53 HB2 ASN 53 -6.991 -9.667 3.248 365 HB3 ASN 53 HB1 ASN 53 -7.523 -9.456 4.914 366 HD21 ASN 53 HD21 ASN 53 -6.174 -8.352 6.372 367 HD22 ASN 53 HD22 ASN 53 -4.945 -7.274 5.814 368 H GLU 54 HN GLU 54 -4.648 -13.107 4.642 369 HA GLU 54 HA GLU 54 -2.719 -12.054 2.704 370 HB2 GLU 54 HB2 GLU 54 -2.606 -14.009 4.917 371 HB3 GLU 54 HB1 GLU 54 -1.644 -14.410 3.501 372 HG2 GLU 54 HG2 GLU 54 -1.077 -11.745 3.944 373 HG3 GLU 54 HG1 GLU 54 -1.184 -12.431 5.564 374 H ASN 55 HN ASN 55 -5.487 -13.332 2.211 375 HA ASN 55 HA ASN 55 -5.175 -15.810 0.967 376 HB2 ASN 55 HB2 ASN 55 -7.363 -14.795 1.507 377 HB3 ASN 55 HB1 ASN 55 -7.114 -13.607 0.232 378 HD21 ASN 55 HD21 ASN 55 -8.389 -14.062 -1.402 379 HD22 ASN 55 HD22 ASN 55 -8.669 -15.630 -2.072 380 H GLY 56 HN GLY 56 -4.473 -12.579 -0.161 381 HA2 GLY 56 HA2 GLY 56 -2.639 -12.599 -1.878 382 HA3 GLY 56 HA1 GLY 56 -3.665 -13.714 -2.767 383 H PHE 57 HN PHE 57 -6.134 -12.557 -2.543 384 HA PHE 57 HA PHE 57 -6.005 -10.528 -4.506 385 HB2 PHE 57 HB2 PHE 57 -8.282 -11.455 -2.748 386 HB3 PHE 57 HB1 PHE 57 -8.468 -10.301 -4.064 387 HD1 PHE 57 HD2 PHE 57 -7.540 -13.784 -3.259 388 HD2 PHE 57 HD1 PHE 57 -8.644 -11.017 -6.298 389 HE1 PHE 57 HE2 PHE 57 -7.833 -15.645 -4.842 390 HE2 PHE 57 HE1 PHE 57 -8.941 -12.873 -7.886 391 HZ PHE 57 HZ PHE 57 -8.535 -15.191 -7.159 392 H ASP 58 HN ASP 58 -6.532 -10.457 -1.014 393 HA ASP 58 HA ASP 58 -7.089 -7.673 -0.870 394 HB2 ASP 58 HB2 ASP 58 -6.236 -9.701 1.196 395 HB3 ASP 58 HB1 ASP 58 -6.543 -8.014 1.595 396 H LYS 59 HN LYS 59 -4.167 -9.577 -0.141 397 HA LYS 59 HA LYS 59 -2.518 -7.425 0.543 398 HB2 LYS 59 HB2 LYS 59 -0.688 -8.925 0.343 399 HB3 LYS 59 HB1 LYS 59 -2.052 -9.884 0.898 400 HG2 LYS 59 HG2 LYS 59 -2.406 -10.720 -1.357 401 HG3 LYS 59 HG1 LYS 59 -1.068 -9.729 -1.943 402 HD2 LYS 59 HD2 LYS 59 -0.500 -11.553 0.321 403 HD3 LYS 59 HD1 LYS 59 -0.778 -12.297 -1.255 404 HE2 LYS 59 HE2 LYS 59 1.057 -11.250 -2.216 405 HE3 LYS 59 HE1 LYS 59 1.103 -9.986 -0.987 406 HZ1 LYS 59 HZ1 LYS 59 2.901 -11.413 -0.543 407 HZ2 LYS 59 HZ2 LYS 59 1.961 -12.808 -0.722 408 HZ3 LYS 59 HZ3 LYS 59 1.730 -11.799 0.616 409 H GLU 60 HN GLU 60 -3.149 -8.944 -2.588 410 HA GLU 60 HA GLU 60 -1.259 -7.431 -4.051 411 HB2 GLU 60 HB2 GLU 60 -3.674 -9.049 -4.794 412 HB3 GLU 60 HB1 GLU 60 -2.843 -8.089 -6.011 413 HG2 GLU 60 HG2 GLU 60 -0.776 -9.422 -4.828 414 HG3 GLU 60 HG1 GLU 60 -2.077 -10.610 -4.756 415 H ASP 61 HN ASP 61 -4.751 -7.029 -3.533 416 HA ASP 61 HA ASP 61 -5.135 -4.783 -5.138 417 HB2 ASP 61 HB2 ASP 61 -6.536 -5.712 -2.633 418 HB3 ASP 61 HB1 ASP 61 -7.068 -4.302 -3.545 419 H LEU 62 HN LEU 62 -4.226 -5.001 -1.718 420 HA LEU 62 HA LEU 62 -4.181 -2.228 -1.213 421 HB2 LEU 62 HB2 LEU 62 -4.261 -3.774 0.613 422 HB3 LEU 62 HB1 LEU 62 -2.767 -4.537 0.107 423 HG LEU 62 HG LEU 62 -1.454 -2.729 0.856 424 HD11 LEU 62 HD11 LEU 62 -2.286 -0.583 1.512 425 HD12 LEU 62 HD12 LEU 62 -3.956 -1.117 1.324 426 HD13 LEU 62 HD13 LEU 62 -2.919 -0.951 -0.092 427 HD21 LEU 62 HD21 LEU 62 -1.924 -3.876 2.777 428 HD22 LEU 62 HD22 LEU 62 -3.653 -3.543 2.684 429 HD23 LEU 62 HD23 LEU 62 -2.539 -2.280 3.208 430 H ALA 63 HN ALA 63 -1.521 -4.492 -1.932 431 HA ALA 63 HA ALA 63 0.561 -2.653 -1.966 432 HB1 ALA 63 HB1 ALA 63 0.885 -5.082 -2.015 433 HB2 ALA 63 HB2 ALA 63 1.787 -4.278 -3.299 434 HB3 ALA 63 HB3 ALA 63 0.286 -5.125 -3.673 435 H ARG 64 HN ARG 64 -1.329 -3.846 -4.747 436 HA ARG 64 HA ARG 64 -0.149 -2.164 -6.659 437 HB2 ARG 64 HB2 ARG 64 -1.700 -4.235 -6.950 438 HB3 ARG 64 HB1 ARG 64 -3.006 -3.062 -6.862 439 HG2 ARG 64 HG2 ARG 64 -0.744 -2.993 -8.848 440 HG3 ARG 64 HG1 ARG 64 -2.371 -3.597 -9.169 441 HD2 ARG 64 HD2 ARG 64 -2.997 -1.183 -8.212 442 HD3 ARG 64 HD1 ARG 64 -1.396 -0.817 -8.853 443 HE ARG 64 HE ARG 64 -3.780 -1.351 -10.354 444 HH11 ARG 64 HH11 ARG 64 -0.294 -1.478 -10.418 445 HH12 ARG 64 HH12 ARG 64 -0.198 -1.392 -12.145 446 HH21 ARG 64 HH21 ARG 64 -3.656 -1.238 -12.625 447 HH22 ARG 64 HH22 ARG 64 -2.107 -1.256 -13.398 448 H PHE 65 HN PHE 65 -2.852 -1.693 -4.469 449 HA PHE 65 HA PHE 65 -3.936 0.627 -5.602 450 HB2 PHE 65 HB2 PHE 65 -5.111 -0.625 -3.876 451 HB3 PHE 65 HB1 PHE 65 -3.849 -0.250 -2.707 452 HD1 PHE 65 HD2 PHE 65 -6.084 1.599 -5.061 453 HD2 PHE 65 HD1 PHE 65 -4.342 1.381 -1.185 454 HE1 PHE 65 HE2 PHE 65 -7.308 3.630 -4.401 455 HE2 PHE 65 HE1 PHE 65 -5.563 3.410 -0.517 456 HZ PHE 65 HZ PHE 65 -7.047 4.538 -2.127 457 H ALA 66 HN ALA 66 -1.690 0.371 -2.836 458 HA ALA 66 HA ALA 66 -1.179 3.109 -2.591 459 HB1 ALA 66 HB1 ALA 66 1.096 2.111 -1.625 460 HB2 ALA 66 HB2 ALA 66 0.145 0.626 -1.665 461 HB3 ALA 66 HB3 ALA 66 -0.430 2.018 -0.746 462 H VAL 67 HN VAL 67 0.777 0.607 -4.213 463 HA VAL 67 HA VAL 67 2.801 2.196 -5.202 464 HB VAL 67 HB VAL 67 1.541 -0.133 -6.657 465 HG11 VAL 67 HG11 VAL 67 4.208 1.232 -6.883 466 HG12 VAL 67 HG12 VAL 67 3.011 0.945 -8.146 467 HG13 VAL 67 HG13 VAL 67 3.930 -0.405 -7.478 468 HG21 VAL 67 HG21 VAL 67 2.597 -0.178 -4.123 469 HG22 VAL 67 HG22 VAL 67 3.974 -0.634 -5.126 470 HG23 VAL 67 HG23 VAL 67 2.475 -1.561 -5.211 471 H ARG 68 HN ARG 68 -0.261 1.369 -6.820 472 HA ARG 68 HA ARG 68 0.195 3.006 -9.085 473 HB2 ARG 68 HB2 ARG 68 -1.379 1.173 -9.191 474 HB3 ARG 68 HB1 ARG 68 -2.357 1.886 -7.917 475 HG2 ARG 68 HG2 ARG 68 -3.088 3.636 -9.326 476 HG3 ARG 68 HG1 ARG 68 -1.881 3.246 -10.553 477 HD2 ARG 68 HD2 ARG 68 -3.407 1.979 -11.555 478 HD3 ARG 68 HD1 ARG 68 -3.345 0.893 -10.168 479 HE ARG 68 HE ARG 68 -5.413 2.807 -10.796 480 HH11 ARG 68 HH11 ARG 68 -3.969 0.814 -8.319 481 HH12 ARG 68 HH12 ARG 68 -5.392 0.794 -7.334 482 HH21 ARG 68 HH21 ARG 68 -7.283 2.779 -9.499 483 HH22 ARG 68 HH22 ARG 68 -7.272 1.908 -8.003 484 H GLU 69 HN GLU 69 -1.081 3.609 -5.909 485 HA GLU 69 HA GLU 69 -2.457 6.015 -6.453 486 HB2 GLU 69 HB2 GLU 69 -2.690 4.641 -4.372 487 HB3 GLU 69 HB1 GLU 69 -1.109 5.223 -3.867 488 HG2 GLU 69 HG2 GLU 69 -2.974 6.435 -2.816 489 HG3 GLU 69 HG1 GLU 69 -1.911 7.480 -3.757 490 H TYR 70 HN TYR 70 0.878 5.326 -5.501 491 HA TYR 70 HA TYR 70 1.551 8.156 -5.576 492 HB2 TYR 70 HB2 TYR 70 3.448 7.624 -4.405 493 HB3 TYR 70 HB1 TYR 70 2.443 6.255 -3.948 494 HD1 TYR 70 HD2 TYR 70 5.190 7.328 -6.181 495 HD2 TYR 70 HD1 TYR 70 3.055 4.040 -4.531 496 HE1 TYR 70 HE2 TYR 70 6.907 5.791 -7.039 497 HE2 TYR 70 HE1 TYR 70 4.766 2.493 -5.384 498 HH TYR 70 HH TYR 70 7.424 2.852 -6.010 499 H ASN 71 HN ASN 71 1.604 5.439 -7.652 500 HA ASN 71 HA ASN 71 3.715 6.441 -9.356 501 HB2 ASN 71 HB2 ASN 71 1.934 4.035 -9.371 502 HB3 ASN 71 HB1 ASN 71 2.777 4.495 -10.848 503 HD21 ASN 71 HD21 ASN 71 5.176 5.100 -10.352 504 HD22 ASN 71 HD22 ASN 71 6.029 3.930 -9.411 505 H ASN 72 HN ASN 72 0.242 6.602 -9.199 506 HA ASN 72 HA ASN 72 -0.063 7.445 -11.938 507 HB2 ASN 72 HB2 ASN 72 -2.360 7.441 -11.557 508 HB3 ASN 72 HB1 ASN 72 -1.791 6.205 -10.441 509 HD21 ASN 72 HD21 ASN 72 -1.809 6.618 -8.233 510 HD22 ASN 72 HD22 ASN 72 -2.714 7.920 -7.549 511 H LYS 73 HN LYS 73 0.130 8.986 -8.785 512 HA LYS 73 HA LYS 73 -0.758 11.527 -9.364 513 HB2 LYS 73 HB2 LYS 73 1.047 12.249 -7.644 514 HB3 LYS 73 HB1 LYS 73 -0.261 11.195 -7.126 515 HG2 LYS 73 HG2 LYS 73 1.148 9.290 -7.153 516 HG3 LYS 73 HG1 LYS 73 2.436 10.174 -7.974 517 HD2 LYS 73 HD2 LYS 73 2.086 11.716 -5.776 518 HD3 LYS 73 HD1 LYS 73 1.683 10.125 -5.127 519 HE2 LYS 73 HE2 LYS 73 3.798 9.326 -5.398 520 HE3 LYS 73 HE1 LYS 73 4.116 10.335 -6.808 521 HZ1 LYS 73 HZ1 LYS 73 5.406 10.961 -4.809 522 HZ2 LYS 73 HZ2 LYS 73 3.961 11.369 -4.031 523 HZ3 LYS 73 HZ3 LYS 73 4.448 12.221 -5.408 524 H ASN 74 HN ASN 74 2.464 10.168 -9.951 525 HA ASN 74 HA ASN 74 2.942 11.759 -12.208 526 HB2 ASN 74 HB2 ASN 74 4.467 13.413 -11.460 527 HB3 ASN 74 HB1 ASN 74 3.090 13.512 -10.368 528 HD21 ASN 74 HD21 ASN 74 3.387 11.853 -8.455 529 HD22 ASN 74 HD22 ASN 74 4.908 11.981 -7.647 530 H ASN 75 HN ASN 75 4.373 10.033 -9.493 531 HA ASN 75 HA ASN 75 6.871 9.428 -10.435 532 HB2 ASN 75 HB2 ASN 75 5.296 8.565 -8.333 533 HB3 ASN 75 HB1 ASN 75 5.586 7.088 -9.247 534 HD21 ASN 75 HD21 ASN 75 7.637 6.251 -9.366 535 HD22 ASN 75 HD22 ASN 75 8.942 6.818 -8.385 536 H ALA 76 HN ALA 76 7.592 7.147 -11.151 537 HA ALA 76 HA ALA 76 6.795 6.735 -13.785 538 HB1 ALA 76 HB1 ALA 76 8.296 4.970 -13.844 539 HB2 ALA 76 HB2 ALA 76 7.987 4.518 -12.167 540 HB3 ALA 76 HB3 ALA 76 8.925 5.967 -12.532 541 H LEU 77 HN LEU 77 6.368 4.096 -14.245 542 HA LEU 77 HA LEU 77 3.810 3.531 -12.898 543 HB2 LEU 77 HB2 LEU 77 3.983 4.352 -15.462 544 HB3 LEU 77 HB1 LEU 77 4.148 2.622 -15.692 545 HG LEU 77 HG LEU 77 1.840 3.186 -15.953 546 HD11 LEU 77 HD11 LEU 77 0.840 1.961 -13.953 547 HD12 LEU 77 HD12 LEU 77 2.496 1.818 -13.363 548 HD13 LEU 77 HD13 LEU 77 2.046 1.098 -14.909 549 HD21 LEU 77 HD21 LEU 77 1.317 5.155 -14.969 550 HD22 LEU 77 HD22 LEU 77 2.352 4.858 -13.572 551 HD23 LEU 77 HD23 LEU 77 0.765 4.094 -13.672 552 H LEU 78 HN LEU 78 6.158 2.444 -11.975 553 HA LEU 78 HA LEU 78 6.919 -0.009 -13.077 554 HB2 LEU 78 HB2 LEU 78 7.572 -0.548 -10.646 555 HB3 LEU 78 HB1 LEU 78 8.364 0.793 -11.450 556 HG LEU 78 HG LEU 78 6.944 2.383 -10.268 557 HD11 LEU 78 HD11 LEU 78 5.557 -0.101 -9.402 558 HD12 LEU 78 HD12 LEU 78 4.890 1.458 -9.889 559 HD13 LEU 78 HD13 LEU 78 5.615 1.269 -8.293 560 HD21 LEU 78 HD21 LEU 78 7.662 1.000 -7.883 561 HD22 LEU 78 HD22 LEU 78 8.467 2.362 -8.659 562 HD23 LEU 78 HD23 LEU 78 8.904 0.713 -9.102 563 H GLU 79 HN GLU 79 6.625 -2.083 -11.494 564 HA GLU 79 HA GLU 79 3.770 -2.370 -10.883 565 HB2 GLU 79 HB2 GLU 79 3.901 -4.675 -11.980 566 HB3 GLU 79 HB1 GLU 79 3.818 -3.281 -13.049 567 HG2 GLU 79 HG2 GLU 79 6.538 -4.103 -12.365 568 HG3 GLU 79 HG1 GLU 79 5.612 -5.314 -13.250 569 H PHE 80 HN PHE 80 3.347 -3.521 -9.094 570 HA PHE 80 HA PHE 80 5.573 -4.436 -7.502 571 HB2 PHE 80 HB2 PHE 80 4.189 -4.211 -5.717 572 HB3 PHE 80 HB1 PHE 80 3.222 -3.267 -6.843 573 HD1 PHE 80 HD1 PHE 80 1.300 -4.387 -8.019 574 HD2 PHE 80 HD2 PHE 80 3.370 -6.184 -4.765 575 HE1 PHE 80 HE1 PHE 80 -0.592 -5.920 -7.668 576 HE2 PHE 80 HE2 PHE 80 1.483 -7.722 -4.407 577 HZ PHE 80 HZ PHE 80 -0.502 -7.591 -5.861 578 H VAL 81 HN VAL 81 5.862 -6.547 -6.697 579 HA VAL 81 HA VAL 81 4.713 -8.618 -8.438 580 HB VAL 81 HB VAL 81 6.613 -10.037 -7.586 581 HG11 VAL 81 HG11 VAL 81 8.252 -9.055 -9.070 582 HG12 VAL 81 HG12 VAL 81 7.411 -7.505 -9.017 583 HG13 VAL 81 HG13 VAL 81 6.642 -8.901 -9.774 584 HG21 VAL 81 HG21 VAL 81 8.461 -9.023 -6.470 585 HG22 VAL 81 HG22 VAL 81 7.009 -8.631 -5.550 586 HG23 VAL 81 HG23 VAL 81 7.738 -7.421 -6.605 587 H ARG 82 HN ARG 82 5.280 -7.754 -5.072 588 HA ARG 82 HA ARG 82 3.017 -8.993 -4.068 589 HB2 ARG 82 HB2 ARG 82 3.980 -10.954 -2.901 590 HB3 ARG 82 HB1 ARG 82 3.982 -11.125 -4.651 591 HG2 ARG 82 HG2 ARG 82 6.372 -10.237 -4.538 592 HG3 ARG 82 HG1 ARG 82 6.278 -10.601 -2.816 593 HD2 ARG 82 HD2 ARG 82 5.860 -12.916 -3.260 594 HD3 ARG 82 HD1 ARG 82 5.692 -12.607 -4.987 595 HE ARG 82 HE ARG 82 8.141 -12.901 -3.501 596 HH11 ARG 82 HH11 ARG 82 6.672 -11.631 -6.401 597 HH12 ARG 82 HH12 ARG 82 8.153 -11.628 -7.299 598 HH21 ARG 82 HH21 ARG 82 10.089 -12.898 -4.681 599 HH22 ARG 82 HH22 ARG 82 10.092 -12.348 -6.323 600 H VAL 83 HN VAL 83 3.023 -9.136 -1.657 601 HA VAL 83 HA VAL 83 4.609 -6.947 -0.598 602 HB VAL 83 HB VAL 83 3.129 -6.890 1.247 603 HG11 VAL 83 HG11 VAL 83 2.191 -6.761 -1.390 604 HG12 VAL 83 HG12 VAL 83 1.495 -5.999 0.039 605 HG13 VAL 83 HG13 VAL 83 0.938 -7.593 -0.469 606 HG21 VAL 83 HG21 VAL 83 2.872 -9.041 2.038 607 HG22 VAL 83 HG22 VAL 83 2.457 -9.689 0.451 608 HG23 VAL 83 HG23 VAL 83 1.280 -8.729 1.346 609 H VAL 84 HN VAL 84 6.057 -7.091 1.076 610 HA VAL 84 HA VAL 84 6.822 -9.817 1.892 611 HB VAL 84 HB VAL 84 8.512 -8.803 0.444 612 HG11 VAL 84 HG11 VAL 84 8.946 -6.631 0.531 613 HG12 VAL 84 HG12 VAL 84 9.637 -6.836 2.140 614 HG13 VAL 84 HG13 VAL 84 7.923 -6.464 1.957 615 HG21 VAL 84 HG21 VAL 84 9.175 -10.330 2.275 616 HG22 VAL 84 HG22 VAL 84 9.460 -8.927 3.305 617 HG23 VAL 84 HG23 VAL 84 10.436 -9.169 1.856 618 H LYS 85 HN LYS 85 5.780 -6.746 2.966 619 HA LYS 85 HA LYS 85 6.079 -7.611 5.729 620 HB2 LYS 85 HB2 LYS 85 6.913 -4.810 5.050 621 HB3 LYS 85 HB1 LYS 85 7.242 -5.737 6.506 622 HG2 LYS 85 HG2 LYS 85 8.667 -7.245 5.045 623 HG3 LYS 85 HG1 LYS 85 8.519 -5.998 3.806 624 HD2 LYS 85 HD2 LYS 85 9.262 -4.460 5.860 625 HD3 LYS 85 HD1 LYS 85 10.015 -5.974 6.364 626 HE2 LYS 85 HE2 LYS 85 10.857 -6.010 3.877 627 HE3 LYS 85 HE1 LYS 85 10.569 -4.274 3.978 628 HZ1 LYS 85 HZ1 LYS 85 12.247 -5.785 5.903 629 HZ2 LYS 85 HZ2 LYS 85 12.084 -4.105 5.791 630 HZ3 LYS 85 HZ3 LYS 85 12.863 -4.962 4.559 631 H ALA 86 HN ALA 86 4.740 -6.441 7.218 632 HA ALA 86 HA ALA 86 2.831 -4.530 6.197 633 HB1 ALA 86 HB1 ALA 86 1.532 -6.909 7.400 634 HB2 ALA 86 HB2 ALA 86 2.088 -7.038 5.732 635 HB3 ALA 86 HB3 ALA 86 0.933 -5.784 6.182 636 H LYS 87 HN LYS 87 2.266 -3.153 7.767 637 HA LYS 87 HA LYS 87 2.354 -4.036 10.558 638 HB2 LYS 87 HB2 LYS 87 3.904 -1.742 9.376 639 HB3 LYS 87 HB1 LYS 87 3.485 -1.789 11.083 640 HG2 LYS 87 HG2 LYS 87 5.487 -2.790 11.264 641 HG3 LYS 87 HG1 LYS 87 4.574 -4.230 10.809 642 HD2 LYS 87 HD2 LYS 87 5.128 -3.423 8.372 643 HD3 LYS 87 HD1 LYS 87 6.442 -2.567 9.183 644 HE2 LYS 87 HE2 LYS 87 5.909 -5.516 9.494 645 HE3 LYS 87 HE1 LYS 87 7.039 -4.842 8.322 646 HZ1 LYS 87 HZ1 LYS 87 7.203 -4.703 11.278 647 HZ2 LYS 87 HZ2 LYS 87 8.173 -3.764 10.259 648 HZ3 LYS 87 HZ3 LYS 87 8.286 -5.451 10.214 649 H GLU 88 HN GLU 88 1.175 -2.666 12.018 650 HA GLU 88 HA GLU 88 -0.841 -1.008 10.648 651 HB2 GLU 88 HB2 GLU 88 -1.237 -2.502 13.240 652 HB3 GLU 88 HB1 GLU 88 -2.464 -1.693 12.275 653 HG2 GLU 88 HG2 GLU 88 -0.970 -3.784 10.865 654 HG3 GLU 88 HG1 GLU 88 -1.951 -4.349 12.216 655 H GLN 89 HN GLN 89 -1.722 0.778 11.869 656 HA GLN 89 HA GLN 89 -0.386 1.665 14.256 657 HB2 GLN 89 HB2 GLN 89 1.263 2.322 12.572 658 HB3 GLN 89 HB1 GLN 89 0.021 3.183 11.673 659 HG2 GLN 89 HG2 GLN 89 0.098 4.970 13.023 660 HG3 GLN 89 HG1 GLN 89 0.299 3.994 14.477 661 HE21 GLN 89 HE21 GLN 89 2.302 3.952 11.585 662 HE22 GLN 89 HE22 GLN 89 3.743 4.518 12.351 663 H VAL 90 HN VAL 90 -1.443 3.417 15.260 664 HA VAL 90 HA VAL 90 -4.079 4.032 14.097 665 HB VAL 90 HB VAL 90 -3.331 4.179 17.016 666 HG11 VAL 90 HG11 VAL 90 -5.191 5.547 16.675 667 HG12 VAL 90 HG12 VAL 90 -5.887 4.009 17.187 668 HG13 VAL 90 HG13 VAL 90 -5.892 4.454 15.480 669 HG21 VAL 90 HG21 VAL 90 -3.137 1.891 16.476 670 HG22 VAL 90 HG22 VAL 90 -4.551 1.939 15.424 671 HG23 VAL 90 HG23 VAL 90 -4.747 2.078 17.171 672 H VAL 91 HN VAL 91 -4.317 6.025 13.371 673 HA VAL 91 HA VAL 91 -3.451 8.303 14.894 674 HB VAL 91 HB VAL 91 -2.202 9.296 12.904 675 HG11 VAL 91 HG11 VAL 91 -0.753 6.968 14.117 676 HG12 VAL 91 HG12 VAL 91 -1.235 8.360 15.087 677 HG13 VAL 91 HG13 VAL 91 -0.138 8.573 13.722 678 HG21 VAL 91 HG21 VAL 91 -2.681 7.850 11.130 679 HG22 VAL 91 HG22 VAL 91 -2.323 6.412 12.086 680 HG23 VAL 91 HG23 VAL 91 -1.013 7.468 11.557 681 H SER 92 HN SER 92 -5.475 9.143 14.880 682 HA SER 92 HA SER 92 -7.333 10.214 14.125 683 HB2 SER 92 HB2 SER 92 -5.629 10.586 11.650 684 HB3 SER 92 HB1 SER 92 -7.158 11.413 11.950 685 HG SER 92 HG SER 92 -4.806 11.588 13.531 686 H GLY 93 HN GLY 93 -6.891 7.301 13.622 687 HA2 GLY 93 HA2 GLY 93 -9.200 6.412 12.675 688 HA3 GLY 93 HA1 GLY 93 -8.397 6.831 11.169 689 H MET 94 HN MET 94 -7.249 5.285 10.220 690 HA MET 94 HA MET 94 -5.922 3.256 11.842 691 HB2 MET 94 HB2 MET 94 -7.992 2.647 9.731 692 HB3 MET 94 HB1 MET 94 -6.836 1.458 10.314 693 HG2 MET 94 HG2 MET 94 -8.661 2.929 12.180 694 HG3 MET 94 HG1 MET 94 -9.166 1.463 11.342 695 HE1 MET 94 HE1 MET 94 -8.555 2.683 14.332 696 HE2 MET 94 HE2 MET 94 -6.797 2.740 14.464 697 HE3 MET 94 HE3 MET 94 -7.706 1.494 15.319 698 H MET 95 HN MET 95 -3.888 3.291 11.176 699 HA MET 95 HA MET 95 -3.341 3.751 8.319 700 HB2 MET 95 HB2 MET 95 -2.440 5.281 10.304 701 HB3 MET 95 HB1 MET 95 -1.196 4.041 10.366 702 HG2 MET 95 HG2 MET 95 -0.479 4.499 8.178 703 HG3 MET 95 HG1 MET 95 -1.923 5.444 7.818 704 HE1 MET 95 HE1 MET 95 -0.972 8.918 8.518 705 HE2 MET 95 HE2 MET 95 -2.335 7.804 8.402 706 HE3 MET 95 HE3 MET 95 -1.106 7.828 7.139 707 H HIS 96 HN HIS 96 -1.886 2.428 7.236 708 HA HIS 96 HA HIS 96 -0.834 0.114 8.693 709 HB2 HIS 96 HB2 HIS 96 -1.527 -1.149 6.439 710 HB3 HIS 96 HB1 HIS 96 -2.594 -1.054 7.835 711 HD1 HIS 96 HD1 HIS 96 -4.116 1.385 7.637 712 HD2 HIS 96 HD2 HIS 96 -2.906 -0.604 4.196 713 HE1 HIS 96 HE1 HIS 96 -5.667 2.176 5.823 714 HE2 HIS 96 HE2 HIS 96 -4.860 1.024 3.732 715 H TYR 97 HN TYR 97 1.263 -0.011 8.346 716 HA TYR 97 HA TYR 97 2.381 1.116 5.877 717 HB2 TYR 97 HB2 TYR 97 3.645 0.453 8.543 718 HB3 TYR 97 HB1 TYR 97 4.565 0.969 7.133 719 HD1 TYR 97 HD2 TYR 97 1.469 2.119 8.905 720 HD2 TYR 97 HD1 TYR 97 5.224 3.168 7.201 721 HE1 TYR 97 HE2 TYR 97 1.084 4.468 9.519 722 HE2 TYR 97 HE1 TYR 97 4.850 5.520 7.812 723 HH TYR 97 HH TYR 97 2.454 6.503 9.963 724 H LEU 98 HN LEU 98 2.406 -0.423 4.336 725 HA LEU 98 HA LEU 98 3.525 -3.054 5.057 726 HB2 LEU 98 HB2 LEU 98 2.211 -4.043 3.312 727 HB3 LEU 98 HB1 LEU 98 1.157 -3.111 4.359 728 HG LEU 98 HG LEU 98 2.124 -1.566 2.079 729 HD11 LEU 98 HD11 LEU 98 0.706 -2.712 0.422 730 HD12 LEU 98 HD12 LEU 98 0.467 -4.030 1.569 731 HD13 LEU 98 HD13 LEU 98 2.079 -3.691 0.939 732 HD21 LEU 98 HD21 LEU 98 -0.507 -2.180 3.380 733 HD22 LEU 98 HD22 LEU 98 -0.413 -1.280 1.866 734 HD23 LEU 98 HD23 LEU 98 0.368 -0.651 3.316 735 H THR 99 HN THR 99 5.125 -3.933 3.812 736 HA THR 99 HA THR 99 6.264 -2.167 1.750 737 HB THR 99 HB THR 99 7.842 -4.322 3.103 738 HG1 THR 99 HG1 THR 99 8.076 -3.193 4.880 739 HG21 THR 99 HG21 THR 99 8.537 -2.553 1.184 740 HG22 THR 99 HG22 THR 99 9.662 -3.277 2.333 741 HG23 THR 99 HG23 THR 99 9.000 -1.672 2.640 742 H VAL 100 HN VAL 100 6.520 -2.930 -0.276 743 HA VAL 100 HA VAL 100 6.243 -5.819 -0.716 744 HB VAL 100 HB VAL 100 4.671 -5.590 -2.458 745 HG11 VAL 100 HG11 VAL 100 3.632 -3.550 -0.526 746 HG12 VAL 100 HG12 VAL 100 3.891 -5.222 -0.029 747 HG13 VAL 100 HG13 VAL 100 2.770 -4.856 -1.340 748 HG21 VAL 100 HG21 VAL 100 3.919 -2.944 -2.709 749 HG22 VAL 100 HG22 VAL 100 4.912 -3.857 -3.845 750 HG23 VAL 100 HG23 VAL 100 5.679 -2.865 -2.604 751 H GLU 101 HN GLU 101 6.974 -6.513 -2.871 752 HA GLU 101 HA GLU 101 9.383 -5.062 -3.615 753 HB2 GLU 101 HB2 GLU 101 8.352 -7.825 -4.005 754 HB3 GLU 101 HB1 GLU 101 9.460 -7.201 -5.219 755 HG2 GLU 101 HG2 GLU 101 11.191 -6.933 -3.654 756 HG3 GLU 101 HG1 GLU 101 10.092 -7.122 -2.288 757 H VAL 102 HN VAL 102 9.660 -3.964 -5.477 758 HA VAL 102 HA VAL 102 7.485 -4.085 -7.462 759 HB VAL 102 HB VAL 102 9.075 -1.603 -6.841 760 HG11 VAL 102 HG11 VAL 102 8.190 -1.128 -8.864 761 HG12 VAL 102 HG12 VAL 102 6.757 -0.762 -7.904 762 HG13 VAL 102 HG13 VAL 102 6.906 -2.326 -8.705 763 HG21 VAL 102 HG21 VAL 102 6.393 -2.460 -5.764 764 HG22 VAL 102 HG22 VAL 102 7.017 -0.813 -5.673 765 HG23 VAL 102 HG23 VAL 102 7.858 -2.121 -4.842 766 H ASN 103 HN ASN 103 8.043 -3.750 -9.639 767 HA ASN 103 HA ASN 103 10.917 -3.957 -10.241 768 HB2 ASN 103 HB2 ASN 103 9.791 -6.151 -10.505 769 HB3 ASN 103 HB1 ASN 103 8.687 -5.424 -11.669 770 HD21 ASN 103 HD21 ASN 103 11.260 -7.333 -11.464 771 HD22 ASN 103 HD22 ASN 103 12.052 -6.972 -12.956 772 H ASP 104 HN ASP 104 11.649 -2.874 -12.049 773 HA ASP 104 HA ASP 104 9.714 -1.423 -13.687 774 HB2 ASP 104 HB2 ASP 104 10.642 -0.071 -11.619 775 HB3 ASP 104 HB1 ASP 104 12.055 0.122 -12.652 776 H ALA 105 HN ALA 105 10.230 -2.292 -15.607 777 HA ALA 105 HA ALA 105 11.408 -2.831 -17.478 778 HB1 ALA 105 HB1 ALA 105 13.468 -0.848 -16.541 779 HB2 ALA 105 HB2 ALA 105 11.933 -0.374 -17.270 780 HB3 ALA 105 HB3 ALA 105 13.092 -1.328 -18.196 781 H GLY 106 HN GLY 106 11.916 -4.302 -14.986 782 HA2 GLY 106 HA2 GLY 106 13.237 -6.320 -14.976 783 HA3 GLY 106 HA1 GLY 106 14.535 -5.419 -15.745 784 H LYS 107 HN LYS 107 14.082 -3.124 -13.883 785 HA LYS 107 HA LYS 107 15.951 -3.910 -11.895 786 HB2 LYS 107 HB2 LYS 107 14.427 -1.434 -12.538 787 HB3 LYS 107 HB1 LYS 107 15.105 -1.577 -10.922 788 HG2 LYS 107 HG2 LYS 107 17.326 -1.948 -11.908 789 HG3 LYS 107 HG1 LYS 107 16.628 -1.736 -13.515 790 HD2 LYS 107 HD2 LYS 107 17.680 0.325 -12.764 791 HD3 LYS 107 HD1 LYS 107 15.933 0.538 -12.899 792 HE2 LYS 107 HE2 LYS 107 15.632 0.567 -10.596 793 HE3 LYS 107 HE1 LYS 107 17.168 -0.241 -10.287 794 HZ1 LYS 107 HZ1 LYS 107 18.354 1.719 -10.770 795 HZ2 LYS 107 HZ2 LYS 107 17.084 2.197 -9.760 796 HZ3 LYS 107 HZ3 LYS 107 16.997 2.490 -11.424 797 H LYS 108 HN LYS 108 15.430 -5.246 -10.293 798 HA LYS 108 HA LYS 108 12.758 -5.105 -9.104 799 HB2 LYS 108 HB2 LYS 108 13.553 -7.313 -9.815 800 HB3 LYS 108 HB1 LYS 108 14.954 -7.157 -8.765 801 HG2 LYS 108 HG2 LYS 108 13.698 -8.335 -7.333 802 HG3 LYS 108 HG1 LYS 108 12.965 -6.769 -6.984 803 HD2 LYS 108 HD2 LYS 108 11.365 -7.350 -8.932 804 HD3 LYS 108 HD1 LYS 108 11.928 -9.005 -8.688 805 HE2 LYS 108 HE2 LYS 108 11.135 -7.573 -6.244 806 HE3 LYS 108 HE1 LYS 108 9.828 -7.888 -7.386 807 HZ1 LYS 108 HZ1 LYS 108 10.206 -10.191 -7.267 808 HZ2 LYS 108 HZ2 LYS 108 10.254 -9.653 -5.664 809 HZ3 LYS 108 HZ3 LYS 108 11.693 -10.003 -6.480 810 H LYS 109 HN LYS 109 12.392 -4.390 -7.084 811 HA LYS 109 HA LYS 109 14.510 -4.226 -5.130 812 HB2 LYS 109 HB2 LYS 109 13.427 -1.802 -6.511 813 HB3 LYS 109 HB1 LYS 109 13.879 -1.694 -4.815 814 HG2 LYS 109 HG2 LYS 109 16.139 -2.515 -5.415 815 HG3 LYS 109 HG1 LYS 109 15.663 -2.467 -7.114 816 HD2 LYS 109 HD2 LYS 109 16.702 -0.424 -6.873 817 HD3 LYS 109 HD1 LYS 109 15.018 0.004 -6.563 818 HE2 LYS 109 HE2 LYS 109 15.386 0.417 -4.366 819 HE3 LYS 109 HE1 LYS 109 16.612 -0.842 -4.224 820 HZ1 LYS 109 HZ1 LYS 109 17.732 1.190 -3.976 821 HZ2 LYS 109 HZ2 LYS 109 16.936 1.902 -5.287 822 HZ3 LYS 109 HZ3 LYS 109 18.085 0.689 -5.553 823 H LEU 110 HN LEU 110 13.654 -3.132 -3.077 824 HA LEU 110 HA LEU 110 10.842 -3.928 -2.706 825 HB2 LEU 110 HB2 LEU 110 12.203 -5.368 -1.409 826 HB3 LEU 110 HB1 LEU 110 13.212 -4.046 -0.857 827 HG LEU 110 HG LEU 110 11.474 -3.227 0.590 828 HD11 LEU 110 HD11 LEU 110 9.775 -5.211 -0.869 829 HD12 LEU 110 HD12 LEU 110 9.468 -3.507 -0.535 830 HD13 LEU 110 HD13 LEU 110 9.355 -4.694 0.764 831 HD21 LEU 110 HD21 LEU 110 11.221 -6.117 1.152 832 HD22 LEU 110 HD22 LEU 110 11.726 -4.794 2.203 833 HD23 LEU 110 HD23 LEU 110 12.859 -5.475 1.035 834 H TYR 111 HN TYR 111 9.479 -2.304 -2.371 835 HA TYR 111 HA TYR 111 10.515 0.157 -1.124 836 HB2 TYR 111 HB2 TYR 111 8.229 0.031 -3.090 837 HB3 TYR 111 HB1 TYR 111 9.048 1.466 -2.488 838 HD1 TYR 111 HD1 TYR 111 11.899 0.295 -2.775 839 HD2 TYR 111 HD2 TYR 111 8.562 0.475 -5.412 840 HE1 TYR 111 HE1 TYR 111 13.424 0.233 -4.702 841 HE2 TYR 111 HE2 TYR 111 10.080 0.411 -7.344 842 HH TYR 111 HH TYR 111 12.974 1.175 -7.438 843 H GLU 112 HN GLU 112 9.250 1.194 0.395 844 HA GLU 112 HA GLU 112 7.137 -0.460 1.565 845 HB2 GLU 112 HB2 GLU 112 9.257 0.623 2.783 846 HB3 GLU 112 HB1 GLU 112 8.138 1.968 2.954 847 HG2 GLU 112 HG2 GLU 112 6.954 -0.592 3.665 848 HG3 GLU 112 HG1 GLU 112 8.360 -0.179 4.645 849 H ALA 113 HN ALA 113 5.105 0.347 2.064 850 HA ALA 113 HA ALA 113 4.437 3.017 1.034 851 HB1 ALA 113 HB1 ALA 113 3.856 0.849 -0.433 852 HB2 ALA 113 HB2 ALA 113 2.847 2.295 -0.405 853 HB3 ALA 113 HB3 ALA 113 2.421 0.903 0.591 854 H LYS 114 HN LYS 114 3.199 4.183 2.382 855 HA LYS 114 HA LYS 114 1.915 2.751 4.613 856 HB2 LYS 114 HB2 LYS 114 2.140 4.834 5.915 857 HB3 LYS 114 HB1 LYS 114 3.693 4.180 5.414 858 HG2 LYS 114 HG2 LYS 114 3.370 5.814 3.398 859 HG3 LYS 114 HG1 LYS 114 2.295 6.644 4.523 860 HD2 LYS 114 HD2 LYS 114 4.399 7.649 4.836 861 HD3 LYS 114 HD1 LYS 114 4.219 6.533 6.190 862 HE2 LYS 114 HE2 LYS 114 5.811 5.093 5.395 863 HE3 LYS 114 HE1 LYS 114 5.534 5.543 3.713 864 HZ1 LYS 114 HZ1 LYS 114 6.481 7.828 4.683 865 HZ2 LYS 114 HZ2 LYS 114 7.466 6.631 4.007 866 HZ3 LYS 114 HZ3 LYS 114 7.298 6.738 5.687 867 H VAL 115 HN VAL 115 -0.202 2.621 4.405 868 HA VAL 115 HA VAL 115 -1.628 4.768 2.987 869 HB VAL 115 HB VAL 115 -2.712 2.028 3.624 870 HG11 VAL 115 HG11 VAL 115 -4.405 3.675 3.133 871 HG12 VAL 115 HG12 VAL 115 -4.263 2.559 1.775 872 HG13 VAL 115 HG13 VAL 115 -3.548 4.168 1.672 873 HG21 VAL 115 HG21 VAL 115 -0.858 2.893 1.502 874 HG22 VAL 115 HG22 VAL 115 -2.226 1.912 0.978 875 HG23 VAL 115 HG23 VAL 115 -1.118 1.296 2.204 876 H TRP 116 HN TRP 116 -3.555 5.617 3.834 877 HA TRP 116 HA TRP 116 -4.004 5.102 6.700 878 HB2 TRP 116 HB2 TRP 116 -2.835 7.245 6.384 879 HB3 TRP 116 HB1 TRP 116 -4.108 7.781 5.295 880 HD1 TRP 116 HD1 TRP 116 -4.266 6.263 8.877 881 HE1 TRP 116 HE1 TRP 116 -5.750 7.802 10.312 882 HE3 TRP 116 HE3 TRP 116 -5.330 9.848 5.391 883 HZ2 TRP 116 HZ2 TRP 116 -7.179 10.217 10.005 884 HZ3 TRP 116 HZ3 TRP 116 -6.764 11.738 6.042 885 HH2 TRP 116 HH2 TRP 116 -7.671 11.917 8.302 886 H GLU 117 HN GLU 117 -6.108 5.048 7.398 887 HA GLU 117 HA GLU 117 -8.265 5.756 5.588 888 HB2 GLU 117 HB2 GLU 117 -7.797 3.479 4.895 889 HB3 GLU 117 HB1 GLU 117 -7.840 2.926 6.563 890 HG2 GLU 117 HG2 GLU 117 -10.272 4.286 5.638 891 HG3 GLU 117 HG1 GLU 117 -9.909 2.758 4.837 892 H GLN 118 HN GLN 118 -9.807 6.725 6.731 893 HA GLN 118 HA GLN 118 -9.867 6.328 9.630 894 HB2 GLN 118 HB2 GLN 118 -11.472 8.421 8.216 895 HB3 GLN 118 HB1 GLN 118 -10.781 8.449 9.829 896 HG2 GLN 118 HG2 GLN 118 -9.382 9.901 8.795 897 HG3 GLN 118 HG1 GLN 118 -8.514 8.396 8.494 898 HE21 GLN 118 HE21 GLN 118 -7.915 8.037 6.485 899 HE22 GLN 118 HE22 GLN 118 -8.607 8.750 5.072 900 H VAL 119 HN VAL 119 -12.186 6.667 10.561 901 HA VAL 119 HA VAL 119 -14.011 4.902 9.061 902 HB VAL 119 HB VAL 119 -13.156 3.850 11.109 903 HG11 VAL 119 HG11 VAL 119 -13.621 4.720 13.292 904 HG12 VAL 119 HG12 VAL 119 -14.542 6.063 12.613 905 HG13 VAL 119 HG13 VAL 119 -12.799 5.971 12.360 906 HG21 VAL 119 HG21 VAL 119 -15.690 3.829 10.226 907 HG22 VAL 119 HG22 VAL 119 -15.954 4.421 11.866 908 HG23 VAL 119 HG23 VAL 119 -15.139 2.879 11.606 909 H TRP 120 HN TRP 120 -13.758 7.735 11.141 910 HA TRP 120 HA TRP 120 -16.580 8.328 10.943 911 HB2 TRP 120 HB2 TRP 120 -15.971 10.382 12.215 912 HB3 TRP 120 HB1 TRP 120 -15.455 8.895 13.005 913 HD1 TRP 120 HD1 TRP 120 -14.032 11.918 11.111 914 HE1 TRP 120 HE1 TRP 120 -11.524 12.110 11.655 915 HE3 TRP 120 HE3 TRP 120 -13.442 7.587 13.761 916 HZ2 TRP 120 HZ2 TRP 120 -9.556 10.622 13.025 917 HZ3 TRP 120 HZ3 TRP 120 -11.214 7.044 14.653 918 HH2 TRP 120 HH2 TRP 120 -9.312 8.531 14.291 919 H MET 121 HN MET 121 -13.725 9.040 9.172 920 HA MET 121 HA MET 121 -14.964 11.337 7.847 921 HB2 MET 121 HB2 MET 121 -12.640 11.599 8.569 922 HB3 MET 121 HB1 MET 121 -12.173 10.196 7.619 923 HG2 MET 121 HG2 MET 121 -11.975 11.400 5.768 924 HG3 MET 121 HG1 MET 121 -13.546 12.163 6.007 925 HE1 MET 121 HE1 MET 121 -10.196 14.577 5.518 926 HE2 MET 121 HE2 MET 121 -10.880 13.153 4.733 927 HE3 MET 121 HE3 MET 121 -9.649 12.965 5.982 928 H ASN 122 HN ASN 122 -14.211 7.999 7.384 929 HA ASN 122 HA ASN 122 -14.649 6.533 5.711 930 HB2 ASN 122 HB2 ASN 122 -16.559 8.755 5.144 931 HB3 ASN 122 HB1 ASN 122 -16.344 7.510 3.917 932 HD21 ASN 122 HD21 ASN 122 -16.454 7.451 7.462 933 HD22 ASN 122 HD22 ASN 122 -17.712 6.271 7.573 934 H PHE 123 HN PHE 123 -12.280 7.771 5.447 935 HA PHE 123 HA PHE 123 -12.034 8.045 2.536 936 HB2 PHE 123 HB2 PHE 123 -11.842 10.225 4.162 937 HB3 PHE 123 HB1 PHE 123 -10.162 9.701 4.100 938 HD1 PHE 123 HD2 PHE 123 -9.277 9.151 1.679 939 HD2 PHE 123 HD1 PHE 123 -12.605 11.658 2.542 940 HE1 PHE 123 HE2 PHE 123 -9.016 10.243 -0.510 941 HE2 PHE 123 HE1 PHE 123 -12.352 12.755 0.354 942 HZ PHE 123 HZ PHE 123 -10.555 12.048 -1.175 943 H ARG 124 HN ARG 124 -10.077 7.321 1.659 944 HA ARG 124 HA ARG 124 -8.028 6.265 3.398 945 HB2 ARG 124 HB2 ARG 124 -8.277 4.017 1.980 946 HB3 ARG 124 HB1 ARG 124 -9.087 4.256 3.520 947 HG2 ARG 124 HG2 ARG 124 -10.585 3.294 1.861 948 HG3 ARG 124 HG1 ARG 124 -11.132 4.894 2.366 949 HD2 ARG 124 HD2 ARG 124 -10.331 5.889 0.361 950 HD3 ARG 124 HD1 ARG 124 -9.474 4.419 -0.099 951 HE ARG 124 HE ARG 124 -12.223 5.017 -0.565 952 HH11 ARG 124 HH11 ARG 124 -9.995 2.403 0.051 953 HH12 ARG 124 HH12 ARG 124 -10.979 1.213 -0.732 954 HH21 ARG 124 HH21 ARG 124 -13.519 3.453 -1.595 955 HH22 ARG 124 HH22 ARG 124 -12.980 1.809 -1.667 956 H GLN 125 HN GLN 125 -6.092 6.508 2.483 957 HA GLN 125 HA GLN 125 -5.660 6.153 -0.328 958 HB2 GLN 125 HB2 GLN 125 -4.752 8.532 -0.600 959 HB3 GLN 125 HB1 GLN 125 -6.498 8.326 -0.624 960 HG2 GLN 125 HG2 GLN 125 -6.792 9.542 1.228 961 HG3 GLN 125 HG1 GLN 125 -5.388 8.841 2.032 962 HE21 GLN 125 HE21 GLN 125 -4.772 10.875 2.803 963 HE22 GLN 125 HE22 GLN 125 -4.041 12.053 1.773 964 H LEU 126 HN LEU 126 -3.334 6.894 -0.896 965 HA LEU 126 HA LEU 126 -1.599 5.786 1.150 966 HB2 LEU 126 HB2 LEU 126 -1.280 4.946 -1.067 967 HB3 LEU 126 HB1 LEU 126 -1.155 6.565 -1.727 968 HG LEU 126 HG LEU 126 0.861 5.782 0.308 969 HD11 LEU 126 HD11 LEU 126 2.073 4.969 -1.993 970 HD12 LEU 126 HD12 LEU 126 0.440 4.339 -2.201 971 HD13 LEU 126 HD13 LEU 126 1.381 3.895 -0.778 972 HD21 LEU 126 HD21 LEU 126 2.115 7.403 -0.665 973 HD22 LEU 126 HD22 LEU 126 0.524 7.985 -1.156 974 HD23 LEU 126 HD23 LEU 126 1.510 7.055 -2.285 975 H GLN 127 HN GLN 127 -0.074 6.879 2.281 976 HA GLN 127 HA GLN 127 -0.155 9.790 2.101 977 HB2 GLN 127 HB2 GLN 127 0.750 7.839 4.187 978 HB3 GLN 127 HB1 GLN 127 1.322 9.501 4.237 979 HG2 GLN 127 HG2 GLN 127 -0.679 9.027 5.647 980 HG3 GLN 127 HG1 GLN 127 -0.876 10.344 4.492 981 HE21 GLN 127 HE21 GLN 127 -2.699 10.337 3.408 982 HE22 GLN 127 HE22 GLN 127 -3.677 8.957 3.060 983 H GLU 128 HN GLU 128 2.345 7.251 2.376 984 HA GLU 128 HA GLU 128 4.030 8.809 0.576 985 HB2 GLU 128 HB2 GLU 128 5.277 7.758 3.089 986 HB3 GLU 128 HB1 GLU 128 5.868 8.998 1.994 987 HG2 GLU 128 HG2 GLU 128 3.422 9.369 3.694 988 HG3 GLU 128 HG1 GLU 128 5.045 9.777 4.247 989 H PHE 129 HN PHE 129 5.824 7.648 -0.286 990 HA PHE 129 HA PHE 129 5.730 4.731 0.008 991 HB2 PHE 129 HB2 PHE 129 4.450 5.737 -2.060 992 HB3 PHE 129 HB1 PHE 129 6.070 5.928 -2.720 993 HD1 PHE 129 HD2 PHE 129 7.431 3.984 -3.258 994 HD2 PHE 129 HD1 PHE 129 3.463 3.568 -1.780 995 HE1 PHE 129 HE2 PHE 129 7.405 1.638 -3.998 996 HE2 PHE 129 HE1 PHE 129 3.431 1.220 -2.515 997 HZ PHE 129 HZ PHE 129 5.404 0.252 -3.626 998 H THR 130 HN THR 130 7.702 4.267 0.772 999 HA THR 130 HA THR 130 10.004 5.805 -0.186 1000 HB THR 130 HB THR 130 11.185 5.028 1.730 1001 HG1 THR 130 HG1 THR 130 10.597 3.310 2.894 1002 HG21 THR 130 HG21 THR 130 9.749 5.579 3.628 1003 HG22 THR 130 HG22 THR 130 8.340 5.526 2.569 1004 HG23 THR 130 HG23 THR 130 9.588 6.746 2.316 1005 H TYR 131 HN TYR 131 11.904 4.782 -0.933 1006 HA TYR 131 HA TYR 131 11.423 2.104 -2.058 1007 HB2 TYR 131 HB2 TYR 131 13.189 2.764 -3.739 1008 HB3 TYR 131 HB1 TYR 131 11.686 3.676 -3.834 1009 HD1 TYR 131 HD1 TYR 131 11.607 6.009 -2.961 1010 HD2 TYR 131 HD2 TYR 131 15.254 3.836 -3.241 1011 HE1 TYR 131 HE1 TYR 131 12.867 8.111 -2.769 1012 HE2 TYR 131 HE2 TYR 131 16.524 5.933 -3.049 1013 HH TYR 131 HH TYR 131 16.020 8.301 -1.996 1014 H LEU 132 HN LEU 132 12.407 0.593 -0.889 1015 HA LEU 132 HA LEU 132 14.844 1.195 0.566 1016 HB2 LEU 132 HB2 LEU 132 13.625 -1.532 0.448 1017 HB3 LEU 132 HB1 LEU 132 14.488 -0.760 1.764 1018 HG LEU 132 HG LEU 132 11.658 -0.194 0.884 1019 HD11 LEU 132 HD11 LEU 132 12.231 -2.266 2.270 1020 HD12 LEU 132 HD12 LEU 132 10.973 -1.191 2.881 1021 HD13 LEU 132 HD13 LEU 132 12.594 -1.134 3.573 1022 HD21 LEU 132 HD21 LEU 132 12.225 1.897 1.578 1023 HD22 LEU 132 HD22 LEU 132 13.535 1.322 2.609 1024 HD23 LEU 132 HD23 LEU 132 11.862 1.179 3.147 1025 H GLY 133 HN GLY 133 16.214 -1.154 0.557 1026 HA2 GLY 133 HA2 GLY 133 17.586 -1.008 -1.955 1027 HA3 GLY 133 HA1 GLY 133 17.979 -2.073 -0.614 1028 H ASP 134 HN ASP 134 16.328 -3.897 -0.293 1029 HA ASP 134 HA ASP 134 14.739 -4.806 -2.419 1030 HB2 ASP 134 HB2 ASP 134 16.959 -5.010 -3.540 1031 HB3 ASP 134 HB1 ASP 134 17.447 -6.149 -2.289 1032 H ALA 135 HN ALA 135 13.972 -7.026 -2.095 1033 HA ALA 135 HA ALA 135 14.187 -7.801 0.737 1034 HB1 ALA 135 HB1 ALA 135 11.941 -7.091 -0.439 1035 HB2 ALA 135 HB2 ALA 135 11.977 -8.396 0.746 1036 HB3 ALA 135 HB3 ALA 135 11.956 -8.770 -0.978 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 8.459 4.397 18.310 2 H2 MET 1 HT2 MET 1 8.213 4.385 16.612 3 H3 MET 1 HT3 MET 1 9.321 5.493 17.312 4 HA MET 1 HA MET 1 10.557 3.518 18.145 5 HB2 MET 1 HB2 MET 1 8.723 1.926 17.808 6 HB3 MET 1 HB1 MET 1 8.767 2.224 16.076 7 HG2 MET 1 HG2 MET 1 9.928 0.251 16.264 8 HG3 MET 1 HG1 MET 1 11.225 1.444 16.248 9 HE1 MET 1 HE1 MET 1 9.321 -0.295 19.928 10 HE2 MET 1 HE2 MET 1 9.841 -1.602 18.864 11 HE3 MET 1 HE3 MET 1 8.743 -0.360 18.263 12 H ALA 2 HN ALA 2 9.481 3.533 14.746 13 HA ALA 2 HA ALA 2 12.172 3.712 13.787 14 HB1 ALA 2 HB1 ALA 2 9.701 4.169 12.140 15 HB2 ALA 2 HB2 ALA 2 10.217 2.558 12.640 16 HB3 ALA 2 HB3 ALA 2 11.267 3.545 11.623 17 H ASP 3 HN ASP 3 9.430 5.946 13.990 18 HA ASP 3 HA ASP 3 9.291 8.212 13.852 19 HB2 ASP 3 HB2 ASP 3 12.061 7.739 14.822 20 HB3 ASP 3 HB1 ASP 3 11.686 9.355 14.230 21 H GLU 4 HN GLU 4 10.625 10.205 12.764 22 HA GLU 4 HA GLU 4 11.173 11.209 10.799 23 HB2 GLU 4 HB2 GLU 4 12.633 8.607 10.626 24 HB3 GLU 4 HB1 GLU 4 12.572 9.638 9.204 25 HG2 GLU 4 HG2 GLU 4 13.299 11.430 11.093 26 HG3 GLU 4 HG1 GLU 4 14.052 9.963 11.716 27 H GLN 5 HN GLN 5 8.638 9.878 11.026 28 HA GLN 5 HA GLN 5 7.688 10.112 8.424 29 HB2 GLN 5 HB2 GLN 5 8.788 7.482 9.052 30 HB3 GLN 5 HB1 GLN 5 7.109 7.404 8.536 31 HG2 GLN 5 HG2 GLN 5 7.584 8.027 6.421 32 HG3 GLN 5 HG1 GLN 5 8.898 9.094 6.912 33 HE21 GLN 5 HE21 GLN 5 9.756 7.960 4.912 34 HE22 GLN 5 HE22 GLN 5 10.675 6.522 5.182 35 HA PRO 6 HA PRO 6 4.334 7.847 11.271 36 HB2 PRO 6 HB2 PRO 6 5.807 8.237 13.833 37 HB3 PRO 6 HB1 PRO 6 4.742 6.917 13.337 38 HG2 PRO 6 HG2 PRO 6 7.380 6.580 13.384 39 HG3 PRO 6 HG1 PRO 6 6.396 5.874 12.088 40 HD2 PRO 6 HD2 PRO 6 8.171 8.272 12.031 41 HD3 PRO 6 HD1 PRO 6 7.860 7.065 10.768 42 H LYS 7 HN LYS 7 2.683 9.124 11.928 43 HA LYS 7 HA LYS 7 1.525 10.998 12.494 44 HB2 LYS 7 HB2 LYS 7 2.836 10.526 14.651 45 HB3 LYS 7 HB1 LYS 7 3.896 11.837 14.150 46 HG2 LYS 7 HG2 LYS 7 1.006 12.427 14.149 47 HG3 LYS 7 HG1 LYS 7 1.759 12.178 15.725 48 HD2 LYS 7 HD2 LYS 7 3.583 13.800 14.620 49 HD3 LYS 7 HD1 LYS 7 2.148 14.347 13.751 50 HE2 LYS 7 HE2 LYS 7 2.437 14.175 16.749 51 HE3 LYS 7 HE1 LYS 7 2.532 15.652 15.790 52 HZ1 LYS 7 HZ1 LYS 7 0.346 15.356 16.793 53 HZ2 LYS 7 HZ2 LYS 7 0.153 13.884 15.983 54 HZ3 LYS 7 HZ3 LYS 7 0.249 15.325 15.103 55 H LYS 8 HN LYS 8 1.378 12.146 10.637 56 HA LYS 8 HA LYS 8 2.811 14.581 10.421 57 HB2 LYS 8 HB2 LYS 8 3.733 12.263 8.811 58 HB3 LYS 8 HB1 LYS 8 3.615 13.808 7.981 59 HG2 LYS 8 HG2 LYS 8 4.939 14.614 10.147 60 HG3 LYS 8 HG1 LYS 8 5.469 12.931 10.109 61 HD2 LYS 8 HD2 LYS 8 5.549 14.586 7.619 62 HD3 LYS 8 HD1 LYS 8 6.828 14.742 8.825 63 HE2 LYS 8 HE2 LYS 8 7.030 12.205 8.696 64 HE3 LYS 8 HE1 LYS 8 6.033 12.311 7.245 65 HZ1 LYS 8 HZ1 LYS 8 8.802 13.095 7.656 66 HZ2 LYS 8 HZ2 LYS 8 7.879 14.133 6.691 67 HZ3 LYS 8 HZ3 LYS 8 8.037 12.503 6.267 68 HA PRO 9 HA PRO 9 -0.716 15.652 8.013 69 HB2 PRO 9 HB2 PRO 9 0.263 17.483 6.263 70 HB3 PRO 9 HB1 PRO 9 0.046 17.821 7.984 71 HG2 PRO 9 HG2 PRO 9 2.534 17.062 6.503 72 HG3 PRO 9 HG1 PRO 9 2.312 18.294 7.759 73 HD2 PRO 9 HD2 PRO 9 3.369 15.858 8.282 74 HD3 PRO 9 HD1 PRO 9 2.390 16.747 9.467 75 H VAL 10 HN VAL 10 -1.803 14.771 6.357 76 HA VAL 10 HA VAL 10 -0.239 13.549 4.184 77 HB VAL 10 HB VAL 10 -1.941 11.917 3.911 78 HG11 VAL 10 HG11 VAL 10 -1.517 12.382 6.859 79 HG12 VAL 10 HG12 VAL 10 -0.450 11.488 5.775 80 HG13 VAL 10 HG13 VAL 10 -2.065 10.873 6.129 81 HG21 VAL 10 HG21 VAL 10 -3.990 12.017 5.473 82 HG22 VAL 10 HG22 VAL 10 -3.968 13.048 4.042 83 HG23 VAL 10 HG23 VAL 10 -3.599 13.731 5.626 84 HA PRO 11 HA PRO 11 -2.186 16.173 1.221 85 HB2 PRO 11 HB2 PRO 11 -2.250 14.604 -0.972 86 HB3 PRO 11 HB1 PRO 11 -0.737 15.233 -0.307 87 HG2 PRO 11 HG2 PRO 11 -1.964 12.521 0.012 88 HG3 PRO 11 HG1 PRO 11 -0.271 12.955 -0.287 89 HD2 PRO 11 HD2 PRO 11 -1.239 12.306 2.179 90 HD3 PRO 11 HD1 PRO 11 0.133 13.402 1.930 91 H ALA 12 HN ALA 12 -3.882 15.742 -0.796 92 HA ALA 12 HA ALA 12 -6.185 14.280 0.285 93 HB1 ALA 12 HB1 ALA 12 -6.273 17.134 -0.689 94 HB2 ALA 12 HB2 ALA 12 -6.471 16.593 0.978 95 HB3 ALA 12 HB3 ALA 12 -7.672 16.159 -0.239 96 H ALA 13 HN ALA 13 -6.907 12.917 -1.199 97 HA ALA 13 HA ALA 13 -7.578 13.647 -3.832 98 HB1 ALA 13 HB1 ALA 13 -5.197 11.823 -3.808 99 HB2 ALA 13 HB2 ALA 13 -5.015 13.574 -3.912 100 HB3 ALA 13 HB3 ALA 13 -5.906 12.704 -5.161 101 H GLU 14 HN GLU 14 -8.096 11.654 -5.191 102 HA GLU 14 HA GLU 14 -8.336 9.107 -4.042 103 HB2 GLU 14 HB2 GLU 14 -9.924 10.243 -2.534 104 HB3 GLU 14 HB1 GLU 14 -10.869 10.755 -3.925 105 HG2 GLU 14 HG2 GLU 14 -12.070 8.925 -3.449 106 HG3 GLU 14 HG1 GLU 14 -10.803 8.104 -4.359 107 H GLU 15 HN GLU 15 -7.724 8.448 -6.082 108 HA GLU 15 HA GLU 15 -9.816 7.999 -7.950 109 HB2 GLU 15 HB2 GLU 15 -7.936 10.255 -8.429 110 HB3 GLU 15 HB1 GLU 15 -8.338 9.234 -9.803 111 HG2 GLU 15 HG2 GLU 15 -10.798 9.657 -8.925 112 HG3 GLU 15 HG1 GLU 15 -10.041 11.103 -8.259 113 H ALA 16 HN ALA 16 -9.122 6.703 -9.780 114 HA ALA 16 HA ALA 16 -6.452 5.513 -9.445 115 HB1 ALA 16 HB1 ALA 16 -9.087 4.088 -9.663 116 HB2 ALA 16 HB2 ALA 16 -7.844 3.920 -8.424 117 HB3 ALA 16 HB3 ALA 16 -7.558 3.300 -10.050 118 HA PRO 17 HA PRO 17 -6.028 5.923 -13.812 119 HB2 PRO 17 HB2 PRO 17 -4.552 3.740 -14.460 120 HB3 PRO 17 HB1 PRO 17 -3.884 5.125 -13.588 121 HG2 PRO 17 HG2 PRO 17 -4.837 2.495 -12.520 122 HG3 PRO 17 HG1 PRO 17 -3.387 3.420 -12.087 123 HD2 PRO 17 HD2 PRO 17 -5.633 3.439 -10.574 124 HD3 PRO 17 HD1 PRO 17 -4.556 4.844 -10.701 125 H ALA 18 HN ALA 18 -6.127 4.475 -15.908 126 HA ALA 18 HA ALA 18 -7.833 2.214 -15.908 127 HB1 ALA 18 HB1 ALA 18 -9.089 4.890 -16.413 128 HB2 ALA 18 HB2 ALA 18 -9.653 3.575 -15.382 129 HB3 ALA 18 HB3 ALA 18 -9.738 3.418 -17.136 130 H ALA 19 HN ALA 19 -6.729 5.042 -17.729 131 HA ALA 19 HA ALA 19 -6.884 3.718 -20.268 132 HB1 ALA 19 HB1 ALA 19 -6.967 6.266 -19.708 133 HB2 ALA 19 HB2 ALA 19 -6.215 5.714 -21.205 134 HB3 ALA 19 HB3 ALA 19 -5.211 6.150 -19.822 135 H GLU 20 HN GLU 20 -5.648 1.798 -19.670 136 HA GLU 20 HA GLU 20 -2.853 2.129 -20.359 137 HB2 GLU 20 HB2 GLU 20 -2.954 2.328 -17.864 138 HB3 GLU 20 HB1 GLU 20 -3.608 0.697 -17.808 139 HG2 GLU 20 HG2 GLU 20 -1.194 0.797 -17.337 140 HG3 GLU 20 HG1 GLU 20 -1.588 -0.206 -18.733 141 H ALA 21 HN ALA 21 -1.779 0.007 -20.713 142 HA ALA 21 HA ALA 21 -3.315 -1.635 -22.379 143 HB1 ALA 21 HB1 ALA 21 -1.236 -3.241 -21.857 144 HB2 ALA 21 HB2 ALA 21 -0.578 -1.714 -21.269 145 HB3 ALA 21 HB3 ALA 21 -1.133 -1.851 -22.938 146 H GLU 22 HN GLU 22 -2.984 -4.210 -21.918 147 HA GLU 22 HA GLU 22 -4.074 -4.753 -19.241 148 HB2 GLU 22 HB2 GLU 22 -5.222 -5.480 -21.908 149 HB3 GLU 22 HB1 GLU 22 -5.476 -6.553 -20.539 150 HG2 GLU 22 HG2 GLU 22 -6.878 -5.120 -19.493 151 HG3 GLU 22 HG1 GLU 22 -6.057 -3.688 -20.113 152 H ALA 23 HN ALA 23 -1.979 -5.505 -18.676 153 HA ALA 23 HA ALA 23 -1.571 -8.286 -19.333 154 HB1 ALA 23 HB1 ALA 23 0.366 -6.169 -20.209 155 HB2 ALA 23 HB2 ALA 23 -0.312 -7.506 -21.139 156 HB3 ALA 23 HB3 ALA 23 0.889 -7.823 -19.887 157 H GLU 24 HN GLU 24 -0.422 -9.387 -17.774 158 HA GLU 24 HA GLU 24 0.988 -7.933 -15.700 159 HB2 GLU 24 HB2 GLU 24 -1.634 -8.222 -15.242 160 HB3 GLU 24 HB1 GLU 24 -1.088 -9.789 -14.662 161 HG2 GLU 24 HG2 GLU 24 -0.092 -8.922 -12.845 162 HG3 GLU 24 HG1 GLU 24 0.449 -7.476 -13.697 163 H GLU 25 HN GLU 25 2.597 -9.116 -14.823 164 HA GLU 25 HA GLU 25 2.588 -12.021 -15.272 165 HB2 GLU 25 HB2 GLU 25 4.080 -10.450 -16.831 166 HB3 GLU 25 HB1 GLU 25 5.181 -10.575 -15.467 167 HG2 GLU 25 HG2 GLU 25 5.703 -12.703 -15.917 168 HG3 GLU 25 HG1 GLU 25 4.046 -13.126 -16.348 169 H GLU 26 HN GLU 26 1.922 -12.083 -13.030 170 HA GLU 26 HA GLU 26 4.232 -12.035 -11.245 171 HB2 GLU 26 HB2 GLU 26 1.599 -10.705 -10.579 172 HB3 GLU 26 HB1 GLU 26 2.936 -10.931 -9.460 173 HG2 GLU 26 HG2 GLU 26 3.511 -8.864 -10.070 174 HG3 GLU 26 HG1 GLU 26 4.177 -9.650 -11.501 175 H GLU 27 HN GLU 27 0.715 -12.476 -10.861 176 HA GLU 27 HA GLU 27 0.995 -15.319 -10.511 177 HB2 GLU 27 HB2 GLU 27 0.192 -15.405 -8.214 178 HB3 GLU 27 HB1 GLU 27 1.697 -14.501 -8.300 179 HG2 GLU 27 HG2 GLU 27 0.585 -12.437 -8.022 180 HG3 GLU 27 HG1 GLU 27 -0.995 -13.174 -8.285 181 H GLY 28 HN GLY 28 -1.270 -16.126 -9.508 182 HA2 GLY 28 HA2 GLY 28 -3.302 -14.826 -11.198 183 HA3 GLY 28 HA1 GLY 28 -3.324 -16.512 -10.704 184 H LEU 29 HN LEU 29 -4.360 -13.350 -9.994 185 HA LEU 29 HA LEU 29 -5.771 -14.352 -7.630 186 HB2 LEU 29 HB2 LEU 29 -3.592 -12.826 -7.277 187 HB3 LEU 29 HB1 LEU 29 -4.784 -11.559 -7.499 188 HG LEU 29 HG LEU 29 -4.539 -11.955 -5.152 189 HD11 LEU 29 HD11 LEU 29 -7.076 -13.402 -5.788 190 HD12 LEU 29 HD12 LEU 29 -6.870 -11.714 -6.257 191 HD13 LEU 29 HD13 LEU 29 -6.762 -12.177 -4.558 192 HD21 LEU 29 HD21 LEU 29 -4.467 -13.994 -4.120 193 HD22 LEU 29 HD22 LEU 29 -3.766 -14.419 -5.682 194 HD23 LEU 29 HD23 LEU 29 -5.460 -14.776 -5.349 195 H HIS 30 HN HIS 30 -5.427 -11.254 -9.367 196 HA HIS 30 HA HIS 30 -6.958 -9.857 -10.303 197 HB2 HIS 30 HB2 HIS 30 -8.128 -12.560 -10.792 198 HB3 HIS 30 HB1 HIS 30 -9.124 -11.147 -11.124 199 HD1 HIS 30 HD1 HIS 30 -6.736 -13.309 -12.687 200 HD2 HIS 30 HD2 HIS 30 -7.675 -9.270 -12.961 201 HE1 HIS 30 HE1 HIS 30 -5.767 -12.540 -14.877 202 HE2 HIS 30 HE2 HIS 30 -6.273 -10.074 -14.980 203 H LEU 31 HN LEU 31 -9.542 -9.415 -10.216 204 HA LEU 31 HA LEU 31 -10.749 -10.010 -7.686 205 HB2 LEU 31 HB2 LEU 31 -9.001 -8.186 -7.243 206 HB3 LEU 31 HB1 LEU 31 -10.059 -7.120 -8.148 207 HG LEU 31 HG LEU 31 -10.337 -6.943 -5.689 208 HD11 LEU 31 HD11 LEU 31 -12.920 -8.052 -6.574 209 HD12 LEU 31 HD12 LEU 31 -12.219 -6.802 -7.601 210 HD13 LEU 31 HD13 LEU 31 -12.531 -6.471 -5.897 211 HD21 LEU 31 HD21 LEU 31 -10.079 -9.616 -5.617 212 HD22 LEU 31 HD22 LEU 31 -11.837 -9.481 -5.578 213 HD23 LEU 31 HD23 LEU 31 -10.864 -8.679 -4.345 214 H GLU 32 HN GLU 32 -10.829 -7.281 -9.985 215 HA GLU 32 HA GLU 32 -12.501 -6.416 -11.261 216 HB2 GLU 32 HB2 GLU 32 -13.076 -9.337 -11.252 217 HB3 GLU 32 HB1 GLU 32 -14.328 -8.264 -11.862 218 HG2 GLU 32 HG2 GLU 32 -12.591 -7.284 -13.392 219 HG3 GLU 32 HG1 GLU 32 -11.529 -8.601 -12.895 220 H ASP 33 HN ASP 33 -13.705 -4.959 -10.234 221 HA ASP 33 HA ASP 33 -16.236 -5.621 -9.159 222 HB2 ASP 33 HB2 ASP 33 -14.423 -6.214 -7.318 223 HB3 ASP 33 HB1 ASP 33 -14.494 -4.480 -7.018 224 H ASP 34 HN ASP 34 -13.718 -3.180 -8.486 225 HA ASP 34 HA ASP 34 -14.860 -1.165 -10.070 226 HB2 ASP 34 HB2 ASP 34 -15.809 0.299 -8.332 227 HB3 ASP 34 HB1 ASP 34 -16.689 -1.222 -8.446 228 H GLN 35 HN GLN 35 -13.062 -1.884 -7.116 229 HA GLN 35 HA GLN 35 -10.734 -0.564 -8.049 230 HB2 GLN 35 HB2 GLN 35 -12.556 1.192 -6.979 231 HB3 GLN 35 HB1 GLN 35 -11.537 0.828 -5.594 232 HG2 GLN 35 HG2 GLN 35 -10.325 1.590 -8.218 233 HG3 GLN 35 HG1 GLN 35 -10.938 2.819 -7.113 234 HE21 GLN 35 HE21 GLN 35 -8.244 1.242 -8.037 235 HE22 GLN 35 HE22 GLN 35 -7.303 1.374 -6.594 236 H GLU 36 HN GLU 36 -8.946 -0.721 -6.541 237 HA GLU 36 HA GLU 36 -8.843 -3.162 -5.198 238 HB2 GLU 36 HB2 GLU 36 -7.098 -0.711 -4.959 239 HB3 GLU 36 HB1 GLU 36 -6.724 -2.244 -4.183 240 HG2 GLU 36 HG2 GLU 36 -5.485 -2.402 -6.096 241 HG3 GLU 36 HG1 GLU 36 -6.976 -3.202 -6.593 242 HA PRO 37 HA PRO 37 -11.126 -1.800 -1.536 243 HB2 PRO 37 HB2 PRO 37 -11.315 -4.262 -0.406 244 HB3 PRO 37 HB1 PRO 37 -12.378 -3.719 -1.709 245 HG2 PRO 37 HG2 PRO 37 -9.938 -5.448 -1.851 246 HG3 PRO 37 HG1 PRO 37 -11.497 -5.643 -2.674 247 HD2 PRO 37 HD2 PRO 37 -9.325 -4.613 -3.911 248 HD3 PRO 37 HD1 PRO 37 -10.976 -4.090 -4.298 249 H ARG 38 HN ARG 38 -10.790 -2.858 0.903 250 HA ARG 38 HA ARG 38 -8.058 -3.323 1.592 251 HB2 ARG 38 HB2 ARG 38 -7.535 -1.298 2.713 252 HB3 ARG 38 HB1 ARG 38 -8.123 -0.839 1.123 253 HG2 ARG 38 HG2 ARG 38 -9.741 -0.778 3.663 254 HG3 ARG 38 HG1 ARG 38 -8.984 0.617 2.893 255 HD2 ARG 38 HD2 ARG 38 -11.171 -1.121 1.762 256 HD3 ARG 38 HD1 ARG 38 -11.317 0.551 2.300 257 HE ARG 38 HE ARG 38 -9.367 0.481 0.318 258 HH11 ARG 38 HH11 ARG 38 -12.793 -0.111 0.621 259 HH12 ARG 38 HH12 ARG 38 -13.142 0.341 -1.013 260 HH21 ARG 38 HH21 ARG 38 -9.825 1.076 -1.832 261 HH22 ARG 38 HH22 ARG 38 -11.458 1.014 -2.407 262 H GLU 39 HN GLU 39 -8.048 -2.531 4.226 263 HA GLU 39 HA GLU 39 -10.489 -3.516 5.464 264 HB2 GLU 39 HB2 GLU 39 -9.133 -5.150 6.850 265 HB3 GLU 39 HB1 GLU 39 -9.399 -5.598 5.171 266 HG2 GLU 39 HG2 GLU 39 -7.210 -5.981 5.108 267 HG3 GLU 39 HG1 GLU 39 -7.040 -4.228 5.034 268 H HIS 40 HN HIS 40 -9.917 -3.717 8.002 269 HA HIS 40 HA HIS 40 -8.334 -1.356 8.753 270 HB2 HIS 40 HB2 HIS 40 -11.000 -2.018 10.005 271 HB3 HIS 40 HB1 HIS 40 -10.035 -0.563 10.230 272 HD1 HIS 40 HD1 HIS 40 -12.769 -1.911 8.261 273 HD2 HIS 40 HD2 HIS 40 -9.921 1.079 7.792 274 HE1 HIS 40 HE1 HIS 40 -13.630 -0.447 6.407 275 HE2 HIS 40 HE2 HIS 40 -11.934 1.404 6.201 276 HA PRO 41 HA PRO 41 -6.964 -4.905 11.323 277 HB2 PRO 41 HB2 PRO 41 -4.442 -3.957 11.688 278 HB3 PRO 41 HB1 PRO 41 -4.928 -4.882 10.262 279 HG2 PRO 41 HG2 PRO 41 -4.641 -1.920 10.591 280 HG3 PRO 41 HG1 PRO 41 -4.132 -2.951 9.241 281 HD2 PRO 41 HD2 PRO 41 -6.392 -1.471 9.160 282 HD3 PRO 41 HD1 PRO 41 -6.256 -3.043 8.345 283 H ILE 42 HN ILE 42 -6.063 -4.958 13.532 284 HA ILE 42 HA ILE 42 -7.369 -3.101 15.219 285 HB ILE 42 HB ILE 42 -6.939 -5.431 15.884 286 HG12 ILE 42 HG12 ILE 42 -5.479 -3.655 17.825 287 HG13 ILE 42 HG11 ILE 42 -7.201 -3.445 17.522 288 HG21 ILE 42 HG21 ILE 42 -4.362 -5.427 16.887 289 HG22 ILE 42 HG22 ILE 42 -4.203 -4.673 15.301 290 HG23 ILE 42 HG23 ILE 42 -4.926 -6.274 15.447 291 HD11 ILE 42 HD11 ILE 42 -7.762 -5.341 18.618 292 HD12 ILE 42 HD12 ILE 42 -6.260 -4.980 19.469 293 HD13 ILE 42 HD13 ILE 42 -6.274 -6.175 18.171 294 H MET 43 HN MET 43 -6.356 -1.755 16.865 295 HA MET 43 HA MET 43 -4.588 0.120 15.825 296 HB2 MET 43 HB2 MET 43 -4.373 0.947 18.146 297 HB3 MET 43 HB1 MET 43 -6.044 0.642 17.690 298 HG2 MET 43 HG2 MET 43 -5.378 -1.738 18.785 299 HG3 MET 43 HG1 MET 43 -4.373 -0.642 19.731 300 HE1 MET 43 HE1 MET 43 -8.217 -1.891 20.966 301 HE2 MET 43 HE2 MET 43 -6.958 -2.633 19.980 302 HE3 MET 43 HE3 MET 43 -8.293 -1.778 19.208 303 H GLY 44 HN GLY 44 -2.545 0.699 17.392 304 HA2 GLY 44 HA2 GLY 44 -0.775 -0.752 18.584 305 HA3 GLY 44 HA1 GLY 44 -0.765 -1.621 17.057 306 H GLY 45 HN GLY 45 0.811 0.671 18.800 307 HA2 GLY 45 HA2 GLY 45 1.415 2.685 16.942 308 HA3 GLY 45 HA1 GLY 45 2.432 2.215 18.296 309 H ILE 46 HN ILE 46 4.271 2.624 16.960 310 HA ILE 46 HA ILE 46 4.690 1.111 14.559 311 HB ILE 46 HB ILE 46 6.795 2.541 16.178 312 HG12 ILE 46 HG12 ILE 46 4.885 4.043 15.701 313 HG13 ILE 46 HG11 ILE 46 6.342 4.523 14.837 314 HG21 ILE 46 HG21 ILE 46 6.602 1.683 13.300 315 HG22 ILE 46 HG22 ILE 46 7.768 1.156 14.513 316 HG23 ILE 46 HG23 ILE 46 7.821 2.808 13.899 317 HD11 ILE 46 HD11 ILE 46 5.435 3.339 12.833 318 HD12 ILE 46 HD12 ILE 46 4.510 4.748 13.352 319 HD13 ILE 46 HD13 ILE 46 3.928 3.125 13.724 320 H TYR 47 HN TYR 47 4.239 -1.010 15.521 321 HA TYR 47 HA TYR 47 6.628 -2.431 16.053 322 HB2 TYR 47 HB2 TYR 47 5.971 -1.272 18.306 323 HB3 TYR 47 HB1 TYR 47 4.757 -2.544 18.393 324 HD1 TYR 47 HD1 TYR 47 8.323 -2.546 17.270 325 HD2 TYR 47 HD2 TYR 47 5.420 -4.107 19.960 326 HE1 TYR 47 HE1 TYR 47 10.009 -4.082 18.189 327 HE2 TYR 47 HE2 TYR 47 7.097 -5.647 20.886 328 HH TYR 47 HH TYR 47 9.512 -5.850 21.065 329 H ASP 48 HN ASP 48 3.124 -2.530 16.679 330 HA ASP 48 HA ASP 48 2.803 -5.292 16.346 331 HB2 ASP 48 HB2 ASP 48 1.022 -2.926 16.364 332 HB3 ASP 48 HB1 ASP 48 0.387 -4.361 15.564 333 H ALA 49 HN ALA 49 3.382 -6.402 14.597 334 HA ALA 49 HA ALA 49 2.466 -5.441 11.979 335 HB1 ALA 49 HB1 ALA 49 4.713 -4.800 11.886 336 HB2 ALA 49 HB2 ALA 49 4.669 -6.351 11.048 337 HB3 ALA 49 HB3 ALA 49 5.259 -6.262 12.707 338 HA PRO 50 HA PRO 50 1.799 -10.051 12.792 339 HB2 PRO 50 HB2 PRO 50 -0.822 -10.093 13.368 340 HB3 PRO 50 HB1 PRO 50 0.395 -9.782 14.612 341 HG2 PRO 50 HG2 PRO 50 -1.332 -7.840 13.126 342 HG3 PRO 50 HG1 PRO 50 -0.927 -7.882 14.851 343 HD2 PRO 50 HD2 PRO 50 0.312 -6.246 13.040 344 HD3 PRO 50 HD1 PRO 50 1.083 -6.831 14.527 345 H LEU 51 HN LEU 51 -0.131 -7.615 11.158 346 HA LEU 51 HA LEU 51 -1.201 -7.567 9.153 347 HB2 LEU 51 HB2 LEU 51 0.983 -7.985 8.245 348 HB3 LEU 51 HB1 LEU 51 0.851 -9.701 8.581 349 HG LEU 51 HG LEU 51 -0.953 -9.878 6.905 350 HD11 LEU 51 HD11 LEU 51 -1.279 -7.212 7.215 351 HD12 LEU 51 HD12 LEU 51 -1.876 -8.134 5.836 352 HD13 LEU 51 HD13 LEU 51 -0.348 -7.261 5.718 353 HD21 LEU 51 HD21 LEU 51 1.368 -8.533 5.579 354 HD22 LEU 51 HD22 LEU 51 0.461 -9.958 5.070 355 HD23 LEU 51 HD23 LEU 51 1.582 -10.065 6.428 356 H ASN 52 HN ASN 52 -3.246 -8.212 9.675 357 HA ASN 52 HA ASN 52 -3.894 -11.025 9.909 358 HB2 ASN 52 HB2 ASN 52 -4.940 -8.870 11.119 359 HB3 ASN 52 HB1 ASN 52 -6.048 -8.985 9.755 360 HD21 ASN 52 HD21 ASN 52 -7.840 -9.932 10.383 361 HD22 ASN 52 HD22 ASN 52 -7.956 -11.331 11.389 362 H ASN 53 HN ASN 53 -3.880 -8.606 7.462 363 HA ASN 53 HA ASN 53 -5.720 -10.105 5.763 364 HB2 ASN 53 HB2 ASN 53 -5.315 -8.170 4.168 365 HB3 ASN 53 HB1 ASN 53 -6.109 -7.762 5.686 366 HD21 ASN 53 HD21 ASN 53 -3.507 -7.140 3.630 367 HD22 ASN 53 HD22 ASN 53 -2.634 -6.060 4.657 368 H GLU 54 HN GLU 54 -3.408 -11.503 6.347 369 HA GLU 54 HA GLU 54 -1.642 -11.209 4.042 370 HB2 GLU 54 HB2 GLU 54 -0.385 -13.104 5.195 371 HB3 GLU 54 HB1 GLU 54 -0.425 -11.557 6.029 372 HG2 GLU 54 HG2 GLU 54 -2.059 -12.334 7.566 373 HG3 GLU 54 HG1 GLU 54 -2.325 -13.806 6.633 374 H ASN 55 HN ASN 55 -4.518 -12.343 4.090 375 HA ASN 55 HA ASN 55 -4.360 -15.090 3.466 376 HB2 ASN 55 HB2 ASN 55 -6.435 -13.088 2.550 377 HB3 ASN 55 HB1 ASN 55 -6.620 -14.839 2.589 378 HD21 ASN 55 HD21 ASN 55 -7.014 -11.961 4.277 379 HD22 ASN 55 HD22 ASN 55 -7.402 -12.625 5.824 380 H GLY 56 HN GLY 56 -4.582 -12.224 1.362 381 HA2 GLY 56 HA2 GLY 56 -2.784 -12.685 -0.528 382 HA3 GLY 56 HA1 GLY 56 -3.996 -13.877 -0.970 383 H PHE 57 HN PHE 57 -6.346 -12.680 -0.711 384 HA PHE 57 HA PHE 57 -6.441 -10.916 -2.926 385 HB2 PHE 57 HB2 PHE 57 -8.498 -11.766 -0.891 386 HB3 PHE 57 HB1 PHE 57 -8.874 -10.637 -2.189 387 HD1 PHE 57 HD1 PHE 57 -7.527 -14.046 -1.571 388 HD2 PHE 57 HD2 PHE 57 -9.533 -11.430 -4.263 389 HE1 PHE 57 HE1 PHE 57 -7.959 -15.939 -3.083 390 HE2 PHE 57 HE2 PHE 57 -9.969 -13.318 -5.779 391 HZ PHE 57 HZ PHE 57 -9.182 -15.576 -5.190 392 H ASP 58 HN ASP 58 -6.747 -10.434 0.567 393 HA ASP 58 HA ASP 58 -7.300 -7.651 0.409 394 HB2 ASP 58 HB2 ASP 58 -6.247 -9.343 2.684 395 HB3 ASP 58 HB1 ASP 58 -6.738 -7.659 2.845 396 H LYS 59 HN LYS 59 -4.340 -9.496 1.106 397 HA LYS 59 HA LYS 59 -2.642 -7.303 1.492 398 HB2 LYS 59 HB2 LYS 59 -0.834 -8.825 1.290 399 HB3 LYS 59 HB1 LYS 59 -2.155 -9.733 2.011 400 HG2 LYS 59 HG2 LYS 59 -2.651 -10.765 -0.119 401 HG3 LYS 59 HG1 LYS 59 -1.398 -9.802 -0.903 402 HD2 LYS 59 HD2 LYS 59 -0.116 -11.033 1.244 403 HD3 LYS 59 HD1 LYS 59 -1.171 -12.279 0.576 404 HE2 LYS 59 HE2 LYS 59 -0.130 -11.239 -1.691 405 HE3 LYS 59 HE1 LYS 59 1.213 -10.990 -0.577 406 HZ1 LYS 59 HZ1 LYS 59 0.857 -13.239 -1.908 407 HZ2 LYS 59 HZ2 LYS 59 -0.057 -13.612 -0.535 408 HZ3 LYS 59 HZ3 LYS 59 1.575 -13.197 -0.376 409 H GLU 60 HN GLU 60 -3.519 -9.071 -1.440 410 HA GLU 60 HA GLU 60 -1.750 -7.689 -3.168 411 HB2 GLU 60 HB2 GLU 60 -4.176 -9.402 -3.567 412 HB3 GLU 60 HB1 GLU 60 -3.497 -8.521 -4.929 413 HG2 GLU 60 HG2 GLU 60 -1.281 -9.696 -3.871 414 HG3 GLU 60 HG1 GLU 60 -2.522 -10.907 -3.553 415 H ASP 61 HN ASP 61 -5.168 -7.235 -2.345 416 HA ASP 61 HA ASP 61 -5.738 -5.162 -4.127 417 HB2 ASP 61 HB2 ASP 61 -6.875 -5.828 -1.411 418 HB3 ASP 61 HB1 ASP 61 -7.516 -4.535 -2.419 419 H LEU 62 HN LEU 62 -4.495 -5.043 -0.807 420 HA LEU 62 HA LEU 62 -4.420 -2.224 -0.614 421 HB2 LEU 62 HB2 LEU 62 -4.366 -3.575 1.372 422 HB3 LEU 62 HB1 LEU 62 -2.895 -4.373 0.850 423 HG LEU 62 HG LEU 62 -1.570 -2.473 1.292 424 HD11 LEU 62 HD11 LEU 62 -4.084 -0.869 1.724 425 HD12 LEU 62 HD12 LEU 62 -3.098 -0.824 0.262 426 HD13 LEU 62 HD13 LEU 62 -2.423 -0.281 1.798 427 HD21 LEU 62 HD21 LEU 62 -3.670 -2.662 3.444 428 HD22 LEU 62 HD22 LEU 62 -2.068 -1.951 3.634 429 HD23 LEU 62 HD23 LEU 62 -2.234 -3.674 3.295 430 H ALA 63 HN ALA 63 -1.832 -4.588 -1.265 431 HA ALA 63 HA ALA 63 0.268 -2.829 -1.642 432 HB1 ALA 63 HB1 ALA 63 -0.193 -5.399 -3.152 433 HB2 ALA 63 HB2 ALA 63 0.497 -5.279 -1.533 434 HB3 ALA 63 HB3 ALA 63 1.352 -4.584 -2.910 435 H ARG 64 HN ARG 64 -1.874 -4.165 -4.164 436 HA ARG 64 HA ARG 64 -0.811 -2.649 -6.280 437 HB2 ARG 64 HB2 ARG 64 -2.488 -4.705 -6.212 438 HB3 ARG 64 HB1 ARG 64 -3.691 -3.426 -6.302 439 HG2 ARG 64 HG2 ARG 64 -1.477 -3.952 -8.273 440 HG3 ARG 64 HG1 ARG 64 -3.201 -4.246 -8.511 441 HD2 ARG 64 HD2 ARG 64 -3.512 -1.752 -8.073 442 HD3 ARG 64 HD1 ARG 64 -1.766 -1.616 -8.276 443 HE ARG 64 HE ARG 64 -3.707 -1.928 -10.335 444 HH11 ARG 64 HH11 ARG 64 -0.426 -2.727 -9.454 445 HH12 ARG 64 HH12 ARG 64 0.115 -2.858 -11.094 446 HH21 ARG 64 HH21 ARG 64 -2.998 -2.100 -12.493 447 HH22 ARG 64 HH22 ARG 64 -1.345 -2.502 -12.819 448 H PHE 65 HN PHE 65 -3.380 -2.005 -3.968 449 HA PHE 65 HA PHE 65 -4.496 0.261 -5.167 450 HB2 PHE 65 HB2 PHE 65 -5.570 -0.875 -3.295 451 HB3 PHE 65 HB1 PHE 65 -4.240 -0.430 -2.232 452 HD1 PHE 65 HD2 PHE 65 -6.707 1.197 -4.512 453 HD2 PHE 65 HD1 PHE 65 -4.536 1.378 -0.857 454 HE1 PHE 65 HE2 PHE 65 -7.884 3.275 -3.920 455 HE2 PHE 65 HE1 PHE 65 -5.709 3.456 -0.258 456 HZ PHE 65 HZ PHE 65 -7.385 4.408 -1.791 457 H ALA 66 HN ALA 66 -2.045 0.107 -2.576 458 HA ALA 66 HA ALA 66 -1.503 2.852 -2.491 459 HB1 ALA 66 HB1 ALA 66 -0.638 1.816 -0.658 460 HB2 ALA 66 HB2 ALA 66 0.824 1.893 -1.642 461 HB3 ALA 66 HB3 ALA 66 -0.111 0.400 -1.568 462 H VAL 67 HN VAL 67 0.325 0.259 -4.124 463 HA VAL 67 HA VAL 67 2.265 1.795 -5.342 464 HB VAL 67 HB VAL 67 0.925 -0.610 -6.585 465 HG11 VAL 67 HG11 VAL 67 3.225 -0.936 -7.563 466 HG12 VAL 67 HG12 VAL 67 3.601 0.698 -7.016 467 HG13 VAL 67 HG13 VAL 67 2.315 0.436 -8.195 468 HG21 VAL 67 HG21 VAL 67 2.150 -0.512 -4.118 469 HG22 VAL 67 HG22 VAL 67 3.440 -1.058 -5.189 470 HG23 VAL 67 HG23 VAL 67 1.923 -1.955 -5.107 471 H ARG 68 HN ARG 68 -0.846 0.800 -6.771 472 HA ARG 68 HA ARG 68 -0.564 2.332 -9.121 473 HB2 ARG 68 HB2 ARG 68 -2.113 0.474 -9.019 474 HB3 ARG 68 HB1 ARG 68 -3.036 1.264 -7.748 475 HG2 ARG 68 HG2 ARG 68 -3.966 2.806 -9.205 476 HG3 ARG 68 HG1 ARG 68 -2.697 2.581 -10.411 477 HD2 ARG 68 HD2 ARG 68 -4.287 0.185 -9.776 478 HD3 ARG 68 HD1 ARG 68 -5.167 1.488 -10.574 479 HE ARG 68 HE ARG 68 -2.668 0.851 -11.837 480 HH11 ARG 68 HH11 ARG 68 -6.052 0.026 -11.629 481 HH12 ARG 68 HH12 ARG 68 -6.108 -0.672 -13.213 482 HH21 ARG 68 HH21 ARG 68 -2.739 -0.068 -13.920 483 HH22 ARG 68 HH22 ARG 68 -4.227 -0.727 -14.513 484 H GLU 69 HN GLU 69 -1.711 3.103 -5.922 485 HA GLU 69 HA GLU 69 -3.132 5.460 -6.538 486 HB2 GLU 69 HB2 GLU 69 -3.351 4.318 -4.383 487 HB3 GLU 69 HB1 GLU 69 -1.679 4.700 -3.998 488 HG2 GLU 69 HG2 GLU 69 -3.291 6.171 -2.868 489 HG3 GLU 69 HG1 GLU 69 -2.177 7.047 -3.916 490 H TYR 70 HN TYR 70 0.257 4.876 -5.702 491 HA TYR 70 HA TYR 70 0.879 7.702 -5.993 492 HB2 TYR 70 HB2 TYR 70 2.833 7.275 -4.879 493 HB3 TYR 70 HB1 TYR 70 1.882 5.915 -4.296 494 HD1 TYR 70 HD2 TYR 70 4.508 6.913 -6.699 495 HD2 TYR 70 HD1 TYR 70 2.504 3.679 -4.796 496 HE1 TYR 70 HE2 TYR 70 6.217 5.363 -7.548 497 HE2 TYR 70 HE1 TYR 70 4.208 2.119 -5.640 498 HH TYR 70 HH TYR 70 6.649 2.285 -6.386 499 H ASN 71 HN ASN 71 0.884 4.856 -7.893 500 HA ASN 71 HA ASN 71 2.894 5.775 -9.755 501 HB2 ASN 71 HB2 ASN 71 1.150 3.351 -9.537 502 HB3 ASN 71 HB1 ASN 71 1.923 3.726 -11.075 503 HD21 ASN 71 HD21 ASN 71 4.309 4.209 -10.891 504 HD22 ASN 71 HD22 ASN 71 5.226 3.180 -9.849 505 H ASN 72 HN ASN 72 -0.559 5.947 -9.426 506 HA ASN 72 HA ASN 72 -1.001 6.603 -12.204 507 HB2 ASN 72 HB2 ASN 72 -3.278 6.577 -11.726 508 HB3 ASN 72 HB1 ASN 72 -2.638 5.419 -10.566 509 HD21 ASN 72 HD21 ASN 72 -2.585 5.952 -8.387 510 HD22 ASN 72 HD22 ASN 72 -3.485 7.277 -7.741 511 H LYS 73 HN LYS 73 -0.692 8.318 -9.156 512 HA LYS 73 HA LYS 73 -1.662 10.807 -9.825 513 HB2 LYS 73 HB2 LYS 73 0.199 11.657 -8.234 514 HB3 LYS 73 HB1 LYS 73 -1.052 10.600 -7.599 515 HG2 LYS 73 HG2 LYS 73 0.408 8.729 -7.610 516 HG3 LYS 73 HG1 LYS 73 1.634 9.614 -8.519 517 HD2 LYS 73 HD2 LYS 73 1.322 11.239 -6.376 518 HD3 LYS 73 HD1 LYS 73 0.997 9.666 -5.645 519 HE2 LYS 73 HE2 LYS 73 3.124 8.914 -5.985 520 HE3 LYS 73 HE1 LYS 73 3.356 9.896 -7.431 521 HZ1 LYS 73 HZ1 LYS 73 3.085 11.284 -4.871 522 HZ2 LYS 73 HZ2 LYS 73 4.019 11.684 -6.223 523 HZ3 LYS 73 HZ3 LYS 73 4.538 10.468 -5.168 524 H ASN 74 HN ASN 74 1.568 9.492 -10.484 525 HA ASN 74 HA ASN 74 1.901 10.961 -12.847 526 HB2 ASN 74 HB2 ASN 74 3.410 12.696 -12.263 527 HB3 ASN 74 HB1 ASN 74 2.074 12.824 -11.124 528 HD21 ASN 74 HD21 ASN 74 2.489 11.300 -9.127 529 HD22 ASN 74 HD22 ASN 74 4.037 11.513 -8.391 530 H ASN 75 HN ASN 75 3.480 9.406 -10.113 531 HA ASN 75 HA ASN 75 5.965 8.836 -11.085 532 HB2 ASN 75 HB2 ASN 75 4.480 7.999 -8.927 533 HB3 ASN 75 HB1 ASN 75 4.730 6.500 -9.815 534 HD21 ASN 75 HD21 ASN 75 6.790 5.674 -10.031 535 HD22 ASN 75 HD22 ASN 75 8.124 6.247 -9.096 536 H ALA 76 HN ALA 76 6.771 6.608 -11.799 537 HA ALA 76 HA ALA 76 5.901 6.097 -14.393 538 HB1 ALA 76 HB1 ALA 76 7.590 4.581 -14.508 539 HB2 ALA 76 HB2 ALA 76 7.233 3.894 -12.923 540 HB3 ALA 76 HB3 ALA 76 8.092 5.430 -13.046 541 H LEU 77 HN LEU 77 5.524 3.533 -14.911 542 HA LEU 77 HA LEU 77 3.106 2.784 -13.401 543 HB2 LEU 77 HB2 LEU 77 3.125 3.611 -15.981 544 HB3 LEU 77 HB1 LEU 77 3.331 1.884 -16.203 545 HG LEU 77 HG LEU 77 0.996 2.380 -16.349 546 HD11 LEU 77 HD11 LEU 77 0.145 1.148 -14.277 547 HD12 LEU 77 HD12 LEU 77 1.840 1.038 -13.804 548 HD13 LEU 77 HD13 LEU 77 1.297 0.308 -15.314 549 HD21 LEU 77 HD21 LEU 77 0.737 3.377 -13.585 550 HD22 LEU 77 HD22 LEU 77 -0.145 3.826 -15.045 551 HD23 LEU 77 HD23 LEU 77 1.463 4.487 -14.748 552 H LEU 78 HN LEU 78 4.284 1.372 -12.065 553 HA LEU 78 HA LEU 78 5.482 -0.955 -13.405 554 HB2 LEU 78 HB2 LEU 78 6.302 -1.370 -10.953 555 HB3 LEU 78 HB1 LEU 78 7.127 -0.221 -11.989 556 HG LEU 78 HG LEU 78 5.874 1.620 -10.907 557 HD11 LEU 78 HD11 LEU 78 4.599 -0.672 -9.527 558 HD12 LEU 78 HD12 LEU 78 3.914 0.871 -10.037 559 HD13 LEU 78 HD13 LEU 78 4.906 0.785 -8.581 560 HD21 LEU 78 HD21 LEU 78 7.874 1.575 -9.874 561 HD22 LEU 78 HD22 LEU 78 7.784 -0.155 -9.543 562 HD23 LEU 78 HD23 LEU 78 6.932 0.987 -8.504 563 H GLU 79 HN GLU 79 5.327 -2.935 -11.672 564 HA GLU 79 HA GLU 79 2.548 -3.136 -10.761 565 HB2 GLU 79 HB2 GLU 79 3.912 -4.891 -12.773 566 HB3 GLU 79 HB1 GLU 79 2.660 -5.557 -11.732 567 HG2 GLU 79 HG2 GLU 79 0.996 -4.368 -12.730 568 HG3 GLU 79 HG1 GLU 79 2.065 -3.043 -13.188 569 H PHE 80 HN PHE 80 2.296 -4.211 -8.888 570 HA PHE 80 HA PHE 80 4.676 -5.076 -7.498 571 HB2 PHE 80 HB2 PHE 80 3.501 -4.746 -5.581 572 HB3 PHE 80 HB1 PHE 80 2.453 -3.811 -6.639 573 HD1 PHE 80 HD1 PHE 80 0.380 -4.905 -7.560 574 HD2 PHE 80 HD2 PHE 80 2.720 -6.641 -4.458 575 HE1 PHE 80 HE1 PHE 80 -1.516 -6.346 -6.942 576 HE2 PHE 80 HE2 PHE 80 0.829 -8.087 -3.834 577 HZ PHE 80 HZ PHE 80 -1.293 -7.940 -5.078 578 H VAL 81 HN VAL 81 5.015 -7.151 -6.614 579 HA VAL 81 HA VAL 81 3.663 -9.279 -8.120 580 HB VAL 81 HB VAL 81 5.606 -10.697 -7.348 581 HG11 VAL 81 HG11 VAL 81 7.113 -9.855 -9.042 582 HG12 VAL 81 HG12 VAL 81 6.310 -8.285 -9.015 583 HG13 VAL 81 HG13 VAL 81 5.446 -9.707 -9.601 584 HG21 VAL 81 HG21 VAL 81 6.211 -9.157 -5.459 585 HG22 VAL 81 HG22 VAL 81 6.872 -8.051 -6.663 586 HG23 VAL 81 HG23 VAL 81 7.563 -9.662 -6.472 587 H ARG 82 HN ARG 82 4.538 -8.244 -4.873 588 HA ARG 82 HA ARG 82 2.356 -9.368 -3.602 589 HB2 ARG 82 HB2 ARG 82 3.414 -11.286 -2.411 590 HB3 ARG 82 HB1 ARG 82 3.175 -11.555 -4.132 591 HG2 ARG 82 HG2 ARG 82 5.597 -10.701 -4.350 592 HG3 ARG 82 HG1 ARG 82 5.701 -11.073 -2.630 593 HD2 ARG 82 HD2 ARG 82 5.641 -13.307 -2.974 594 HD3 ARG 82 HD1 ARG 82 4.514 -13.172 -4.323 595 HE ARG 82 HE ARG 82 6.296 -13.218 -5.744 596 HH11 ARG 82 HH11 ARG 82 7.444 -12.314 -2.575 597 HH12 ARG 82 HH12 ARG 82 9.113 -12.342 -3.034 598 HH21 ARG 82 HH21 ARG 82 8.491 -13.257 -6.350 599 HH22 ARG 82 HH22 ARG 82 9.708 -12.877 -5.177 600 H VAL 83 HN VAL 83 2.591 -9.397 -1.195 601 HA VAL 83 HA VAL 83 4.330 -7.206 -0.406 602 HB VAL 83 HB VAL 83 3.013 -6.973 1.536 603 HG11 VAL 83 HG11 VAL 83 1.845 -6.991 -1.002 604 HG12 VAL 83 HG12 VAL 83 1.280 -6.135 0.432 605 HG13 VAL 83 HG13 VAL 83 0.664 -7.746 0.068 606 HG21 VAL 83 HG21 VAL 83 1.166 -8.718 1.999 607 HG22 VAL 83 HG22 VAL 83 2.823 -9.090 2.473 608 HG23 VAL 83 HG23 VAL 83 2.149 -9.790 1.001 609 H VAL 84 HN VAL 84 5.930 -7.324 1.113 610 HA VAL 84 HA VAL 84 6.688 -10.033 1.987 611 HB VAL 84 HB VAL 84 8.301 -9.076 0.422 612 HG11 VAL 84 HG11 VAL 84 9.632 -7.085 1.761 613 HG12 VAL 84 HG12 VAL 84 7.940 -6.718 2.098 614 HG13 VAL 84 HG13 VAL 84 8.498 -6.852 0.431 615 HG21 VAL 84 HG21 VAL 84 9.470 -9.061 3.200 616 HG22 VAL 84 HG22 VAL 84 10.285 -9.469 1.690 617 HG23 VAL 84 HG23 VAL 84 9.028 -10.529 2.329 618 H LYS 85 HN LYS 85 5.863 -6.856 3.015 619 HA LYS 85 HA LYS 85 6.228 -7.675 5.791 620 HB2 LYS 85 HB2 LYS 85 7.138 -4.931 4.977 621 HB3 LYS 85 HB1 LYS 85 7.483 -5.810 6.459 622 HG2 LYS 85 HG2 LYS 85 8.698 -7.460 4.816 623 HG3 LYS 85 HG1 LYS 85 8.748 -6.033 3.779 624 HD2 LYS 85 HD2 LYS 85 9.620 -4.876 5.977 625 HD3 LYS 85 HD1 LYS 85 10.073 -6.528 6.403 626 HE2 LYS 85 HE2 LYS 85 11.111 -6.555 4.009 627 HE3 LYS 85 HE1 LYS 85 11.062 -4.800 4.174 628 HZ1 LYS 85 HZ1 LYS 85 13.090 -5.193 5.066 629 HZ2 LYS 85 HZ2 LYS 85 12.703 -6.755 5.588 630 HZ3 LYS 85 HZ3 LYS 85 12.178 -5.414 6.475 631 H ALA 86 HN ALA 86 4.957 -6.482 7.293 632 HA ALA 86 HA ALA 86 3.085 -4.511 6.294 633 HB1 ALA 86 HB1 ALA 86 1.228 -6.052 7.438 634 HB2 ALA 86 HB2 ALA 86 2.312 -7.313 6.850 635 HB3 ALA 86 HB3 ALA 86 1.622 -6.147 5.721 636 H LYS 87 HN LYS 87 2.916 -3.000 7.807 637 HA LYS 87 HA LYS 87 3.092 -3.803 10.635 638 HB2 LYS 87 HB2 LYS 87 4.339 -1.367 9.350 639 HB3 LYS 87 HB1 LYS 87 4.292 -1.676 11.080 640 HG2 LYS 87 HG2 LYS 87 6.331 -2.536 10.716 641 HG3 LYS 87 HG1 LYS 87 5.421 -3.965 10.221 642 HD2 LYS 87 HD2 LYS 87 5.469 -3.075 7.880 643 HD3 LYS 87 HD1 LYS 87 6.565 -1.813 8.446 644 HE2 LYS 87 HE2 LYS 87 7.108 -4.756 8.780 645 HE3 LYS 87 HE1 LYS 87 7.664 -3.821 7.393 646 HZ1 LYS 87 HZ1 LYS 87 8.290 -2.773 10.044 647 HZ2 LYS 87 HZ2 LYS 87 9.207 -2.738 8.623 648 HZ3 LYS 87 HZ3 LYS 87 9.133 -4.154 9.546 649 H GLU 88 HN GLU 88 1.929 -2.518 12.124 650 HA GLU 88 HA GLU 88 -0.254 -0.979 10.884 651 HB2 GLU 88 HB2 GLU 88 -0.144 -2.646 13.390 652 HB3 GLU 88 HB1 GLU 88 -1.430 -1.482 13.106 653 HG2 GLU 88 HG2 GLU 88 -2.037 -3.791 12.494 654 HG3 GLU 88 HG1 GLU 88 -2.148 -2.657 11.148 655 H GLN 89 HN GLN 89 -0.966 0.945 11.880 656 HA GLN 89 HA GLN 89 0.508 2.038 14.111 657 HB2 GLN 89 HB2 GLN 89 1.955 2.516 12.135 658 HB3 GLN 89 HB1 GLN 89 0.630 3.433 11.432 659 HG2 GLN 89 HG2 GLN 89 0.687 4.889 13.474 660 HG3 GLN 89 HG1 GLN 89 2.172 4.058 13.933 661 HE21 GLN 89 HE21 GLN 89 3.295 3.767 11.388 662 HE22 GLN 89 HE22 GLN 89 3.748 5.331 10.808 663 H VAL 90 HN VAL 90 -0.439 3.967 14.959 664 HA VAL 90 HA VAL 90 -3.172 4.458 13.966 665 HB VAL 90 HB VAL 90 -2.263 4.737 16.830 666 HG11 VAL 90 HG11 VAL 90 -4.923 4.928 15.448 667 HG12 VAL 90 HG12 VAL 90 -4.131 6.116 16.483 668 HG13 VAL 90 HG13 VAL 90 -4.784 4.635 17.182 669 HG21 VAL 90 HG21 VAL 90 -3.642 2.447 15.444 670 HG22 VAL 90 HG22 VAL 90 -3.632 2.660 17.194 671 HG23 VAL 90 HG23 VAL 90 -2.116 2.417 16.326 672 H VAL 91 HN VAL 91 -3.507 6.435 13.222 673 HA VAL 91 HA VAL 91 -2.464 8.759 14.563 674 HB VAL 91 HB VAL 91 -1.427 9.677 12.441 675 HG11 VAL 91 HG11 VAL 91 -0.187 8.797 14.458 676 HG12 VAL 91 HG12 VAL 91 0.715 8.807 12.942 677 HG13 VAL 91 HG13 VAL 91 0.038 7.298 13.556 678 HG21 VAL 91 HG21 VAL 91 -2.449 7.427 11.279 679 HG22 VAL 91 HG22 VAL 91 -0.754 6.990 11.495 680 HG23 VAL 91 HG23 VAL 91 -1.182 8.441 10.588 681 H SER 92 HN SER 92 -4.505 9.562 14.762 682 HA SER 92 HA SER 92 -6.441 10.610 14.191 683 HB2 SER 92 HB2 SER 92 -4.891 12.049 12.890 684 HB3 SER 92 HB1 SER 92 -5.102 10.983 11.501 685 HG SER 92 HG SER 92 -7.398 11.483 11.692 686 H GLY 93 HN GLY 93 -6.088 7.715 13.701 687 HA2 GLY 93 HA2 GLY 93 -8.468 6.841 12.929 688 HA3 GLY 93 HA1 GLY 93 -7.758 7.211 11.365 689 H MET 94 HN MET 94 -6.716 5.615 10.382 690 HA MET 94 HA MET 94 -5.323 3.599 11.969 691 HB2 MET 94 HB2 MET 94 -7.501 2.987 9.970 692 HB3 MET 94 HB1 MET 94 -6.346 1.789 10.538 693 HG2 MET 94 HG2 MET 94 -8.036 3.347 12.455 694 HG3 MET 94 HG1 MET 94 -8.646 1.900 11.655 695 HE1 MET 94 HE1 MET 94 -7.900 3.070 14.613 696 HE2 MET 94 HE2 MET 94 -6.138 3.094 14.681 697 HE3 MET 94 HE3 MET 94 -7.038 1.860 15.564 698 H MET 95 HN MET 95 -3.326 3.585 11.199 699 HA MET 95 HA MET 95 -2.924 3.959 8.305 700 HB2 MET 95 HB2 MET 95 -1.923 5.563 10.176 701 HB3 MET 95 HB1 MET 95 -0.681 4.321 10.234 702 HG2 MET 95 HG2 MET 95 -0.056 4.685 8.004 703 HG3 MET 95 HG1 MET 95 -1.519 5.607 7.660 704 HE1 MET 95 HE1 MET 95 -0.514 9.109 8.096 705 HE2 MET 95 HE2 MET 95 -1.902 8.021 8.145 706 HE3 MET 95 HE3 MET 95 -0.748 7.919 6.815 707 H HIS 96 HN HIS 96 -1.495 2.605 7.207 708 HA HIS 96 HA HIS 96 -0.408 0.326 8.695 709 HB2 HIS 96 HB2 HIS 96 -2.597 -0.354 7.763 710 HB3 HIS 96 HB1 HIS 96 -2.024 0.063 6.152 711 HD1 HIS 96 HD1 HIS 96 -2.706 -2.821 7.845 712 HD2 HIS 96 HD2 HIS 96 0.759 -1.485 5.980 713 HE1 HIS 96 HE1 HIS 96 -1.367 -4.892 7.351 714 HE2 HIS 96 HE2 HIS 96 0.764 -4.051 6.301 715 H TYR 97 HN TYR 97 1.668 0.106 8.255 716 HA TYR 97 HA TYR 97 2.704 1.150 5.707 717 HB2 TYR 97 HB2 TYR 97 4.062 0.636 8.360 718 HB3 TYR 97 HB1 TYR 97 4.932 1.070 6.892 719 HD1 TYR 97 HD2 TYR 97 1.902 2.323 8.706 720 HD2 TYR 97 HD1 TYR 97 5.593 3.268 6.812 721 HE1 TYR 97 HE2 TYR 97 1.541 4.703 9.203 722 HE2 TYR 97 HE1 TYR 97 5.243 5.651 7.306 723 HH TYR 97 HH TYR 97 3.922 6.995 9.055 724 H LEU 98 HN LEU 98 2.612 -0.504 4.271 725 HA LEU 98 HA LEU 98 3.850 -3.050 5.095 726 HB2 LEU 98 HB2 LEU 98 2.343 -4.264 3.818 727 HB3 LEU 98 HB1 LEU 98 1.346 -3.011 4.531 728 HG LEU 98 HG LEU 98 2.445 -2.917 1.720 729 HD11 LEU 98 HD11 LEU 98 -0.351 -3.566 2.635 730 HD12 LEU 98 HD12 LEU 98 0.822 -4.749 2.058 731 HD13 LEU 98 HD13 LEU 98 0.231 -3.491 0.972 732 HD21 LEU 98 HD21 LEU 98 0.396 -1.227 1.698 733 HD22 LEU 98 HD22 LEU 98 2.026 -0.724 2.144 734 HD23 LEU 98 HD23 LEU 98 0.838 -1.076 3.399 735 H THR 99 HN THR 99 5.350 -3.994 3.785 736 HA THR 99 HA THR 99 6.287 -2.356 1.527 737 HB THR 99 HB THR 99 7.950 -4.452 2.892 738 HG1 THR 99 HG1 THR 99 7.177 -3.020 4.511 739 HG21 THR 99 HG21 THR 99 8.512 -2.922 0.748 740 HG22 THR 99 HG22 THR 99 9.722 -3.537 1.874 741 HG23 THR 99 HG23 THR 99 9.109 -1.893 2.048 742 H VAL 100 HN VAL 100 6.241 -3.191 -0.472 743 HA VAL 100 HA VAL 100 5.951 -6.104 -0.753 744 HB VAL 100 HB VAL 100 4.225 -5.935 -2.347 745 HG11 VAL 100 HG11 VAL 100 2.440 -5.091 -1.106 746 HG12 VAL 100 HG12 VAL 100 3.410 -3.787 -0.421 747 HG13 VAL 100 HG13 VAL 100 3.664 -5.448 0.112 748 HG21 VAL 100 HG21 VAL 100 5.242 -3.235 -2.724 749 HG22 VAL 100 HG22 VAL 100 3.481 -3.298 -2.669 750 HG23 VAL 100 HG23 VAL 100 4.362 -4.280 -3.839 751 H GLU 101 HN GLU 101 6.501 -6.919 -2.906 752 HA GLU 101 HA GLU 101 8.828 -5.518 -3.949 753 HB2 GLU 101 HB2 GLU 101 7.781 -8.298 -4.068 754 HB3 GLU 101 HB1 GLU 101 8.760 -7.754 -5.423 755 HG2 GLU 101 HG2 GLU 101 10.648 -7.459 -4.104 756 HG3 GLU 101 HG1 GLU 101 9.714 -7.411 -2.609 757 H VAL 102 HN VAL 102 8.942 -4.550 -5.900 758 HA VAL 102 HA VAL 102 6.587 -4.764 -7.659 759 HB VAL 102 HB VAL 102 8.267 -2.284 -7.314 760 HG11 VAL 102 HG11 VAL 102 6.062 -1.335 -8.340 761 HG12 VAL 102 HG12 VAL 102 5.844 -2.992 -8.904 762 HG13 VAL 102 HG13 VAL 102 7.276 -2.080 -9.381 763 HG21 VAL 102 HG21 VAL 102 7.219 -2.430 -5.248 764 HG22 VAL 102 HG22 VAL 102 5.768 -3.171 -5.924 765 HG23 VAL 102 HG23 VAL 102 6.088 -1.457 -6.188 766 H ASN 103 HN ASN 103 6.934 -4.579 -9.896 767 HA ASN 103 HA ASN 103 9.728 -4.824 -10.777 768 HB2 ASN 103 HB2 ASN 103 8.646 -7.059 -10.703 769 HB3 ASN 103 HB1 ASN 103 7.416 -6.475 -11.820 770 HD21 ASN 103 HD21 ASN 103 10.302 -8.070 -11.562 771 HD22 ASN 103 HD22 ASN 103 10.842 -7.933 -13.198 772 H ASP 104 HN ASP 104 10.173 -4.062 -12.882 773 HA ASP 104 HA ASP 104 8.058 -2.842 -14.433 774 HB2 ASP 104 HB2 ASP 104 8.977 -1.219 -12.549 775 HB3 ASP 104 HB1 ASP 104 10.279 -0.981 -13.711 776 H ALA 105 HN ALA 105 8.519 -3.648 -16.371 777 HA ALA 105 HA ALA 105 9.652 -4.288 -18.241 778 HB1 ALA 105 HB1 ALA 105 10.935 -2.655 -19.223 779 HB2 ALA 105 HB2 ALA 105 11.731 -2.216 -17.711 780 HB3 ALA 105 HB3 ALA 105 10.067 -1.713 -18.011 781 H GLY 106 HN GLY 106 10.415 -5.530 -15.689 782 HA2 GLY 106 HA2 GLY 106 11.898 -7.430 -15.617 783 HA3 GLY 106 HA1 GLY 106 13.071 -6.491 -16.528 784 H LYS 107 HN LYS 107 12.559 -4.100 -14.824 785 HA LYS 107 HA LYS 107 14.574 -4.612 -12.882 786 HB2 LYS 107 HB2 LYS 107 12.881 -2.279 -13.643 787 HB3 LYS 107 HB1 LYS 107 13.667 -2.248 -12.070 788 HG2 LYS 107 HG2 LYS 107 15.790 -2.889 -13.475 789 HG3 LYS 107 HG1 LYS 107 14.861 -2.170 -14.792 790 HD2 LYS 107 HD2 LYS 107 15.120 -0.704 -12.203 791 HD3 LYS 107 HD1 LYS 107 16.467 -0.695 -13.342 792 HE2 LYS 107 HE2 LYS 107 15.165 0.331 -15.024 793 HE3 LYS 107 HE1 LYS 107 13.663 0.023 -14.153 794 HZ1 LYS 107 HZ1 LYS 107 13.948 2.162 -13.555 795 HZ2 LYS 107 HZ2 LYS 107 15.625 2.137 -13.779 796 HZ3 LYS 107 HZ3 LYS 107 14.951 1.495 -12.367 797 H LYS 108 HN LYS 108 14.198 -5.827 -11.148 798 HA LYS 108 HA LYS 108 11.606 -5.586 -9.780 799 HB2 LYS 108 HB2 LYS 108 12.174 -7.847 -10.516 800 HB3 LYS 108 HB1 LYS 108 13.693 -7.769 -9.635 801 HG2 LYS 108 HG2 LYS 108 12.547 -8.842 -8.041 802 HG3 LYS 108 HG1 LYS 108 11.937 -7.233 -7.650 803 HD2 LYS 108 HD2 LYS 108 10.050 -7.683 -9.260 804 HD3 LYS 108 HD1 LYS 108 10.611 -9.356 -9.325 805 HE2 LYS 108 HE2 LYS 108 10.269 -8.276 -6.618 806 HE3 LYS 108 HE1 LYS 108 8.781 -8.396 -7.555 807 HZ1 LYS 108 HZ1 LYS 108 8.992 -10.680 -7.750 808 HZ2 LYS 108 HZ2 LYS 108 9.519 -10.400 -6.167 809 HZ3 LYS 108 HZ3 LYS 108 10.647 -10.675 -7.396 810 H LYS 109 HN LYS 109 11.482 -5.070 -7.629 811 HA LYS 109 HA LYS 109 13.788 -4.940 -5.942 812 HB2 LYS 109 HB2 LYS 109 12.786 -2.485 -7.290 813 HB3 LYS 109 HB1 LYS 109 13.241 -2.349 -5.597 814 HG2 LYS 109 HG2 LYS 109 15.424 -3.539 -6.380 815 HG3 LYS 109 HG1 LYS 109 14.936 -2.954 -7.972 816 HD2 LYS 109 HD2 LYS 109 14.654 -0.673 -6.782 817 HD3 LYS 109 HD1 LYS 109 15.661 -1.389 -5.522 818 HE2 LYS 109 HE2 LYS 109 17.374 -1.891 -7.235 819 HE3 LYS 109 HE1 LYS 109 16.378 -1.067 -8.434 820 HZ1 LYS 109 HZ1 LYS 109 18.278 0.192 -7.209 821 HZ2 LYS 109 HZ2 LYS 109 17.129 0.361 -5.981 822 HZ3 LYS 109 HZ3 LYS 109 16.811 0.973 -7.525 823 H LEU 110 HN LEU 110 13.166 -3.646 -3.853 824 HA LEU 110 HA LEU 110 10.403 -4.400 -3.162 825 HB2 LEU 110 HB2 LEU 110 11.911 -5.785 -1.951 826 HB3 LEU 110 HB1 LEU 110 12.935 -4.426 -1.534 827 HG LEU 110 HG LEU 110 11.277 -3.571 0.000 828 HD11 LEU 110 HD11 LEU 110 9.232 -5.018 0.440 829 HD12 LEU 110 HD12 LEU 110 9.565 -5.768 -1.121 830 HD13 LEU 110 HD13 LEU 110 9.221 -4.041 -1.028 831 HD21 LEU 110 HD21 LEU 110 11.218 -6.438 0.726 832 HD22 LEU 110 HD22 LEU 110 11.723 -5.036 1.670 833 HD23 LEU 110 HD23 LEU 110 12.804 -5.716 0.453 834 H TYR 111 HN TYR 111 9.089 -2.744 -2.769 835 HA TYR 111 HA TYR 111 10.260 -0.246 -1.734 836 HB2 TYR 111 HB2 TYR 111 7.812 -0.392 -3.490 837 HB3 TYR 111 HB1 TYR 111 8.734 1.037 -3.041 838 HD1 TYR 111 HD1 TYR 111 11.507 -0.174 -3.528 839 HD2 TYR 111 HD2 TYR 111 7.939 -0.161 -5.847 840 HE1 TYR 111 HE1 TYR 111 12.845 -0.391 -5.578 841 HE2 TYR 111 HE2 TYR 111 9.269 -0.381 -7.903 842 HH TYR 111 HH TYR 111 12.558 0.162 -8.033 843 H GLU 112 HN GLU 112 9.106 0.906 -0.196 844 HA GLU 112 HA GLU 112 7.081 -0.662 1.225 845 HB2 GLU 112 HB2 GLU 112 9.318 0.532 2.182 846 HB3 GLU 112 HB1 GLU 112 8.138 1.806 2.456 847 HG2 GLU 112 HG2 GLU 112 6.954 -0.588 3.335 848 HG3 GLU 112 HG1 GLU 112 8.605 -0.579 3.953 849 H ALA 113 HN ALA 113 5.088 0.170 1.783 850 HA ALA 113 HA ALA 113 4.384 2.813 0.705 851 HB1 ALA 113 HB1 ALA 113 3.709 0.635 -0.673 852 HB2 ALA 113 HB2 ALA 113 2.675 2.060 -0.586 853 HB3 ALA 113 HB3 ALA 113 2.353 0.672 0.453 854 H LYS 114 HN LYS 114 3.169 4.031 2.035 855 HA LYS 114 HA LYS 114 2.025 2.702 4.404 856 HB2 LYS 114 HB2 LYS 114 2.337 4.836 5.606 857 HB3 LYS 114 HB1 LYS 114 3.855 4.142 5.052 858 HG2 LYS 114 HG2 LYS 114 3.394 5.706 2.981 859 HG3 LYS 114 HG1 LYS 114 2.457 6.603 4.175 860 HD2 LYS 114 HD2 LYS 114 4.615 7.543 4.250 861 HD3 LYS 114 HD1 LYS 114 4.521 6.483 5.657 862 HE2 LYS 114 HE2 LYS 114 5.966 4.938 4.763 863 HE3 LYS 114 HE1 LYS 114 5.582 5.383 3.101 864 HZ1 LYS 114 HZ1 LYS 114 7.162 6.949 3.073 865 HZ2 LYS 114 HZ2 LYS 114 7.816 6.113 4.389 866 HZ3 LYS 114 HZ3 LYS 114 6.844 7.472 4.650 867 H VAL 115 HN VAL 115 -0.105 2.601 4.341 868 HA VAL 115 HA VAL 115 -1.586 4.696 2.903 869 HB VAL 115 HB VAL 115 -2.614 1.980 3.727 870 HG11 VAL 115 HG11 VAL 115 -4.354 2.452 2.042 871 HG12 VAL 115 HG12 VAL 115 -3.668 4.061 1.815 872 HG13 VAL 115 HG13 VAL 115 -4.364 3.610 3.372 873 HG21 VAL 115 HG21 VAL 115 -2.397 1.707 1.103 874 HG22 VAL 115 HG22 VAL 115 -1.066 1.311 2.190 875 HG23 VAL 115 HG23 VAL 115 -1.080 2.856 1.338 876 H TRP 116 HN TRP 116 -3.448 5.616 3.821 877 HA TRP 116 HA TRP 116 -3.726 5.254 6.731 878 HB2 TRP 116 HB2 TRP 116 -2.545 7.361 6.206 879 HB3 TRP 116 HB1 TRP 116 -3.906 7.865 5.213 880 HD1 TRP 116 HD1 TRP 116 -3.820 6.464 8.841 881 HE1 TRP 116 HE1 TRP 116 -5.132 8.094 10.341 882 HE3 TRP 116 HE3 TRP 116 -5.007 10.004 5.349 883 HZ2 TRP 116 HZ2 TRP 116 -6.489 10.555 10.077 884 HZ3 TRP 116 HZ3 TRP 116 -6.316 11.965 6.054 885 HH2 TRP 116 HH2 TRP 116 -7.042 12.233 8.370 886 H GLU 117 HN GLU 117 -5.787 5.296 7.563 887 HA GLU 117 HA GLU 117 -8.037 5.954 5.858 888 HB2 GLU 117 HB2 GLU 117 -7.619 3.631 5.246 889 HB3 GLU 117 HB1 GLU 117 -7.636 3.160 6.940 890 HG2 GLU 117 HG2 GLU 117 -9.917 3.363 7.118 891 HG3 GLU 117 HG1 GLU 117 -10.027 4.502 5.777 892 H GLN 118 HN GLN 118 -9.438 7.046 7.064 893 HA GLN 118 HA GLN 118 -9.353 6.727 9.971 894 HB2 GLN 118 HB2 GLN 118 -10.948 8.839 8.566 895 HB3 GLN 118 HB1 GLN 118 -10.199 8.884 10.154 896 HG2 GLN 118 HG2 GLN 118 -8.787 10.254 9.027 897 HG3 GLN 118 HG1 GLN 118 -7.984 8.710 8.746 898 HE21 GLN 118 HE21 GLN 118 -7.327 8.460 6.747 899 HE22 GLN 118 HE22 GLN 118 -8.094 9.081 5.329 900 H VAL 119 HN VAL 119 -11.597 7.175 11.025 901 HA VAL 119 HA VAL 119 -13.566 5.434 9.689 902 HB VAL 119 HB VAL 119 -12.634 4.422 11.723 903 HG11 VAL 119 HG11 VAL 119 -13.819 6.782 13.179 904 HG12 VAL 119 HG12 VAL 119 -12.098 6.512 12.906 905 HG13 VAL 119 HG13 VAL 119 -13.018 5.392 13.910 906 HG21 VAL 119 HG21 VAL 119 -15.501 5.289 12.085 907 HG22 VAL 119 HG22 VAL 119 -14.735 3.877 12.812 908 HG23 VAL 119 HG23 VAL 119 -14.958 3.958 11.064 909 H TRP 120 HN TRP 120 -13.098 8.326 11.648 910 HA TRP 120 HA TRP 120 -15.906 9.013 11.585 911 HB2 TRP 120 HB2 TRP 120 -15.160 11.084 12.748 912 HB3 TRP 120 HB1 TRP 120 -14.642 9.609 13.559 913 HD1 TRP 120 HD1 TRP 120 -13.245 12.518 11.474 914 HE1 TRP 120 HE1 TRP 120 -10.704 12.651 11.866 915 HE3 TRP 120 HE3 TRP 120 -12.627 8.269 14.250 916 HZ2 TRP 120 HZ2 TRP 120 -8.704 11.153 13.178 917 HZ3 TRP 120 HZ3 TRP 120 -10.368 7.691 15.034 918 HH2 TRP 120 HH2 TRP 120 -8.448 9.103 14.507 919 H MET 121 HN MET 121 -13.129 9.567 9.639 920 HA MET 121 HA MET 121 -14.369 11.852 8.295 921 HB2 MET 121 HB2 MET 121 -11.999 12.059 8.890 922 HB3 MET 121 HB1 MET 121 -11.630 10.619 7.954 923 HG2 MET 121 HG2 MET 121 -11.259 11.915 6.206 924 HG3 MET 121 HG1 MET 121 -12.974 12.322 6.196 925 HE1 MET 121 HE1 MET 121 -9.872 15.309 6.247 926 HE2 MET 121 HE2 MET 121 -10.326 13.954 5.213 927 HE3 MET 121 HE3 MET 121 -9.369 13.671 6.667 928 H ASN 122 HN ASN 122 -13.721 8.478 7.913 929 HA ASN 122 HA ASN 122 -14.286 6.968 6.321 930 HB2 ASN 122 HB2 ASN 122 -16.174 9.215 5.782 931 HB3 ASN 122 HB1 ASN 122 -16.052 7.930 4.584 932 HD21 ASN 122 HD21 ASN 122 -16.000 8.007 8.132 933 HD22 ASN 122 HD22 ASN 122 -17.266 6.850 8.344 934 H PHE 123 HN PHE 123 -11.915 8.236 5.903 935 HA PHE 123 HA PHE 123 -11.819 8.391 2.969 936 HB2 PHE 123 HB2 PHE 123 -11.438 10.582 4.581 937 HB3 PHE 123 HB1 PHE 123 -9.791 10.010 4.343 938 HD1 PHE 123 HD2 PHE 123 -9.470 9.199 1.723 939 HD2 PHE 123 HD1 PHE 123 -12.043 12.267 3.166 940 HE1 PHE 123 HE2 PHE 123 -9.414 10.280 -0.486 941 HE2 PHE 123 HE1 PHE 123 -11.992 13.353 0.959 942 HZ PHE 123 HZ PHE 123 -10.676 12.360 -0.870 943 H ARG 124 HN ARG 124 -10.143 7.339 2.008 944 HA ARG 124 HA ARG 124 -7.960 6.318 3.651 945 HB2 ARG 124 HB2 ARG 124 -8.272 4.026 2.670 946 HB3 ARG 124 HB1 ARG 124 -9.513 4.510 3.818 947 HG2 ARG 124 HG2 ARG 124 -9.880 4.835 0.859 948 HG3 ARG 124 HG1 ARG 124 -10.267 3.330 1.695 949 HD2 ARG 124 HD2 ARG 124 -11.537 5.082 3.289 950 HD3 ARG 124 HD1 ARG 124 -11.636 5.947 1.755 951 HE ARG 124 HE ARG 124 -13.120 3.647 2.508 952 HH11 ARG 124 HH11 ARG 124 -11.594 5.176 -0.233 953 HH12 ARG 124 HH12 ARG 124 -12.652 4.442 -1.390 954 HH21 ARG 124 HH21 ARG 124 -14.512 2.680 0.987 955 HH22 ARG 124 HH22 ARG 124 -14.309 3.025 -0.698 956 H GLN 125 HN GLN 125 -6.086 6.543 2.615 957 HA GLN 125 HA GLN 125 -5.814 6.050 -0.195 958 HB2 GLN 125 HB2 GLN 125 -5.117 8.283 -0.861 959 HB3 GLN 125 HB1 GLN 125 -6.762 8.323 -0.243 960 HG2 GLN 125 HG2 GLN 125 -5.310 8.844 2.003 961 HG3 GLN 125 HG1 GLN 125 -4.344 9.624 0.751 962 HE21 GLN 125 HE21 GLN 125 -5.299 11.293 2.496 963 HE22 GLN 125 HE22 GLN 125 -6.670 12.166 1.908 964 H LEU 126 HN LEU 126 -3.514 6.736 -0.923 965 HA LEU 126 HA LEU 126 -1.681 5.695 1.074 966 HB2 LEU 126 HB2 LEU 126 -1.478 4.743 -1.102 967 HB3 LEU 126 HB1 LEU 126 -1.410 6.322 -1.860 968 HG LEU 126 HG LEU 126 0.743 5.720 0.080 969 HD11 LEU 126 HD11 LEU 126 1.125 3.696 -0.830 970 HD12 LEU 126 HD12 LEU 126 1.849 4.645 -2.128 971 HD13 LEU 126 HD13 LEU 126 0.195 4.056 -2.284 972 HD21 LEU 126 HD21 LEU 126 2.078 6.850 -1.672 973 HD22 LEU 126 HD22 LEU 126 0.725 7.823 -1.094 974 HD23 LEU 126 HD23 LEU 126 0.616 6.996 -2.648 975 H GLN 127 HN GLN 127 0.002 6.794 1.991 976 HA GLN 127 HA GLN 127 -0.078 9.704 1.704 977 HB2 GLN 127 HB2 GLN 127 0.940 7.849 3.830 978 HB3 GLN 127 HB1 GLN 127 1.496 9.516 3.767 979 HG2 GLN 127 HG2 GLN 127 -0.400 9.138 5.313 980 HG3 GLN 127 HG1 GLN 127 -0.722 10.341 4.065 981 HE21 GLN 127 HE21 GLN 127 -2.642 10.195 3.182 982 HE22 GLN 127 HE22 GLN 127 -3.579 8.756 2.998 983 H GLU 128 HN GLU 128 2.381 7.121 1.945 984 HA GLU 128 HA GLU 128 3.990 8.565 -0.012 985 HB2 GLU 128 HB2 GLU 128 5.373 7.588 2.458 986 HB3 GLU 128 HB1 GLU 128 5.908 8.781 1.285 987 HG2 GLU 128 HG2 GLU 128 3.577 9.250 3.118 988 HG3 GLU 128 HG1 GLU 128 5.238 9.642 3.562 989 H PHE 129 HN PHE 129 5.678 7.333 -0.951 990 HA PHE 129 HA PHE 129 5.588 4.435 -0.512 991 HB2 PHE 129 HB2 PHE 129 4.122 5.319 -2.495 992 HB3 PHE 129 HB1 PHE 129 5.668 5.523 -3.310 993 HD1 PHE 129 HD2 PHE 129 7.066 3.565 -3.821 994 HD2 PHE 129 HD1 PHE 129 3.177 3.165 -2.142 995 HE1 PHE 129 HE2 PHE 129 7.029 1.196 -4.481 996 HE2 PHE 129 HE1 PHE 129 3.134 0.794 -2.797 997 HZ PHE 129 HZ PHE 129 5.062 -0.193 -3.969 998 H THR 130 HN THR 130 7.623 4.042 0.136 999 HA THR 130 HA THR 130 9.831 5.486 -1.137 1000 HB THR 130 HB THR 130 11.168 4.892 0.727 1001 HG1 THR 130 HG1 THR 130 9.179 2.955 1.224 1002 HG21 THR 130 HG21 THR 130 8.555 5.149 2.135 1003 HG22 THR 130 HG22 THR 130 9.174 6.487 1.166 1004 HG23 THR 130 HG23 THR 130 10.119 5.868 2.520 1005 H TYR 131 HN TYR 131 11.661 4.399 -1.962 1006 HA TYR 131 HA TYR 131 11.081 1.653 -2.849 1007 HB2 TYR 131 HB2 TYR 131 12.672 2.139 -4.711 1008 HB3 TYR 131 HB1 TYR 131 11.245 3.169 -4.716 1009 HD1 TYR 131 HD2 TYR 131 11.433 5.537 -3.980 1010 HD2 TYR 131 HD1 TYR 131 14.856 3.053 -4.440 1011 HE1 TYR 131 HE2 TYR 131 12.869 7.533 -4.014 1012 HE2 TYR 131 HE1 TYR 131 16.302 5.041 -4.474 1013 HH TYR 131 HH TYR 131 15.912 7.620 -3.413 1014 H LEU 132 HN LEU 132 12.141 0.184 -1.701 1015 HA LEU 132 HA LEU 132 14.661 0.837 -0.419 1016 HB2 LEU 132 HB2 LEU 132 13.416 -1.882 -0.343 1017 HB3 LEU 132 HB1 LEU 132 14.372 -1.067 0.880 1018 HG LEU 132 HG LEU 132 11.491 -0.528 0.170 1019 HD11 LEU 132 HD11 LEU 132 11.009 -1.290 2.380 1020 HD12 LEU 132 HD12 LEU 132 12.724 -1.405 2.773 1021 HD13 LEU 132 HD13 LEU 132 12.014 -2.508 1.595 1022 HD21 LEU 132 HD21 LEU 132 11.900 0.969 2.353 1023 HD22 LEU 132 HD22 LEU 132 12.046 1.599 0.712 1024 HD23 LEU 132 HD23 LEU 132 13.489 1.113 1.602 1025 H GLY 133 HN GLY 133 16.011 -1.529 -0.405 1026 HA2 GLY 133 HA2 GLY 133 17.263 -1.492 -2.975 1027 HA3 GLY 133 HA1 GLY 133 17.680 -2.544 -1.630 1028 H ASP 134 HN ASP 134 16.095 -4.358 -1.225 1029 HA ASP 134 HA ASP 134 14.325 -5.254 -3.207 1030 HB2 ASP 134 HB2 ASP 134 16.417 -5.457 -4.536 1031 HB3 ASP 134 HB1 ASP 134 17.042 -6.580 -3.332 1032 H ALA 135 HN ALA 135 13.595 -7.482 -2.833 1033 HA ALA 135 HA ALA 135 14.118 -8.314 -0.055 1034 HB1 ALA 135 HB1 ALA 135 11.627 -9.135 -1.457 1035 HB2 ALA 135 HB2 ALA 135 11.766 -7.470 -0.896 1036 HB3 ALA 135 HB3 ALA 135 11.906 -8.802 0.252 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 8.983 4.272 19.377 2 H2 MET 1 HT2 MET 1 10.421 4.435 20.299 3 H3 MET 1 HT3 MET 1 9.880 2.880 19.817 4 HA MET 1 HA MET 1 11.638 3.442 18.431 5 HB2 MET 1 HB2 MET 1 9.180 2.713 17.577 6 HB3 MET 1 HB1 MET 1 9.392 4.190 16.646 7 HG2 MET 1 HG2 MET 1 11.757 3.036 16.173 8 HG3 MET 1 HG1 MET 1 10.777 1.594 16.436 9 HE1 MET 1 HE1 MET 1 10.106 1.039 12.838 10 HE2 MET 1 HE2 MET 1 9.745 0.416 14.447 11 HE3 MET 1 HE3 MET 1 11.404 0.823 14.011 12 H ALA 2 HN ALA 2 12.387 4.885 16.620 13 HA ALA 2 HA ALA 2 12.820 7.482 17.545 14 HB1 ALA 2 HB1 ALA 2 14.437 6.837 16.065 15 HB2 ALA 2 HB2 ALA 2 13.439 7.833 15.005 16 HB3 ALA 2 HB3 ALA 2 13.286 6.076 14.966 17 H ASP 3 HN ASP 3 10.280 6.168 15.556 18 HA ASP 3 HA ASP 3 8.349 7.050 14.744 19 HB2 ASP 3 HB2 ASP 3 8.897 9.442 16.506 20 HB3 ASP 3 HB1 ASP 3 7.337 8.883 15.909 21 H GLU 4 HN GLU 4 10.896 7.605 13.436 22 HA GLU 4 HA GLU 4 10.923 10.278 12.473 23 HB2 GLU 4 HB2 GLU 4 12.263 7.724 11.687 24 HB3 GLU 4 HB1 GLU 4 12.312 9.086 10.576 25 HG2 GLU 4 HG2 GLU 4 13.076 10.345 12.793 26 HG3 GLU 4 HG1 GLU 4 13.630 8.720 13.197 27 H GLN 5 HN GLN 5 9.819 7.221 11.036 28 HA GLN 5 HA GLN 5 8.747 8.482 8.708 29 HB2 GLN 5 HB2 GLN 5 8.830 5.736 9.821 30 HB3 GLN 5 HB1 GLN 5 7.512 6.089 8.713 31 HG2 GLN 5 HG2 GLN 5 9.386 5.133 7.527 32 HG3 GLN 5 HG1 GLN 5 9.126 6.802 7.023 33 HE21 GLN 5 HE21 GLN 5 10.854 8.038 6.922 34 HE22 GLN 5 HE22 GLN 5 12.347 7.772 7.749 35 HA PRO 6 HA PRO 6 4.468 7.728 10.769 36 HB2 PRO 6 HB2 PRO 6 4.382 6.856 13.330 37 HB3 PRO 6 HB1 PRO 6 4.467 5.754 11.952 38 HG2 PRO 6 HG2 PRO 6 6.655 6.690 13.765 39 HG3 PRO 6 HG1 PRO 6 6.340 5.061 13.140 40 HD2 PRO 6 HD2 PRO 6 8.216 6.709 12.077 41 HD3 PRO 6 HD1 PRO 6 7.331 5.511 11.112 42 H LYS 7 HN LYS 7 3.254 8.636 12.875 43 HA LYS 7 HA LYS 7 2.776 10.479 14.118 44 HB2 LYS 7 HB2 LYS 7 5.706 10.127 14.556 45 HB3 LYS 7 HB1 LYS 7 4.954 11.614 15.117 46 HG2 LYS 7 HG2 LYS 7 4.921 10.173 16.959 47 HG3 LYS 7 HG1 LYS 7 3.277 10.135 16.319 48 HD2 LYS 7 HD2 LYS 7 5.099 8.122 15.192 49 HD3 LYS 7 HD1 LYS 7 4.748 7.932 16.911 50 HE2 LYS 7 HE2 LYS 7 2.271 8.423 15.945 51 HE3 LYS 7 HE1 LYS 7 2.997 7.600 14.565 52 HZ1 LYS 7 HZ1 LYS 7 3.760 5.961 16.461 53 HZ2 LYS 7 HZ2 LYS 7 2.245 5.818 15.723 54 HZ3 LYS 7 HZ3 LYS 7 2.382 6.572 17.231 55 H LYS 8 HN LYS 8 2.955 10.819 11.340 56 HA LYS 8 HA LYS 8 3.616 13.669 11.233 57 HB2 LYS 8 HB2 LYS 8 4.790 11.512 9.554 58 HB3 LYS 8 HB1 LYS 8 4.379 13.024 8.755 59 HG2 LYS 8 HG2 LYS 8 5.843 14.259 10.169 60 HG3 LYS 8 HG1 LYS 8 6.110 12.858 11.209 61 HD2 LYS 8 HD2 LYS 8 8.006 12.776 9.926 62 HD3 LYS 8 HD1 LYS 8 6.932 11.765 8.957 63 HE2 LYS 8 HE2 LYS 8 6.920 14.681 8.419 64 HE3 LYS 8 HE1 LYS 8 8.344 13.771 7.916 65 HZ1 LYS 8 HZ1 LYS 8 6.637 12.195 6.859 66 HZ2 LYS 8 HZ2 LYS 8 6.961 13.662 6.084 67 HZ3 LYS 8 HZ3 LYS 8 5.554 13.487 7.006 68 HA PRO 9 HA PRO 9 -0.182 14.095 9.047 69 HB2 PRO 9 HB2 PRO 9 0.370 15.979 7.174 70 HB3 PRO 9 HB1 PRO 9 0.230 16.351 8.896 71 HG2 PRO 9 HG2 PRO 9 2.691 15.920 7.246 72 HG3 PRO 9 HG1 PRO 9 2.372 17.155 8.478 73 HD2 PRO 9 HD2 PRO 9 3.830 14.932 8.988 74 HD3 PRO 9 HD1 PRO 9 2.817 15.712 10.220 75 H VAL 10 HN VAL 10 -1.096 14.270 6.694 76 HA VAL 10 HA VAL 10 0.385 12.417 4.948 77 HB VAL 10 HB VAL 10 -1.583 11.211 4.394 78 HG11 VAL 10 HG11 VAL 10 -0.475 10.702 6.587 79 HG12 VAL 10 HG12 VAL 10 -2.150 10.167 6.450 80 HG13 VAL 10 HG13 VAL 10 -1.761 11.621 7.369 81 HG21 VAL 10 HG21 VAL 10 -3.778 11.827 5.584 82 HG22 VAL 10 HG22 VAL 10 -3.280 12.796 4.197 83 HG23 VAL 10 HG23 VAL 10 -3.032 13.406 5.833 84 HA PRO 11 HA PRO 11 -0.396 15.303 1.704 85 HB2 PRO 11 HB2 PRO 11 -0.483 13.707 -0.469 86 HB3 PRO 11 HB1 PRO 11 1.011 13.995 0.429 87 HG2 PRO 11 HG2 PRO 11 -0.851 11.655 0.550 88 HG3 PRO 11 HG1 PRO 11 0.922 11.674 0.528 89 HD2 PRO 11 HD2 PRO 11 -0.543 11.361 2.806 90 HD3 PRO 11 HD1 PRO 11 1.067 12.104 2.780 91 H ALA 12 HN ALA 12 -1.806 15.202 -0.561 92 HA ALA 12 HA ALA 12 -4.512 15.397 0.348 93 HB1 ALA 12 HB1 ALA 12 -4.971 16.443 -1.653 94 HB2 ALA 12 HB2 ALA 12 -3.783 15.493 -2.545 95 HB3 ALA 12 HB3 ALA 12 -3.251 16.784 -1.468 96 H ALA 13 HN ALA 13 -6.066 14.540 -1.708 97 HA ALA 13 HA ALA 13 -5.960 11.651 -1.347 98 HB1 ALA 13 HB1 ALA 13 -8.120 12.216 -0.965 99 HB2 ALA 13 HB2 ALA 13 -8.232 12.003 -2.713 100 HB3 ALA 13 HB3 ALA 13 -8.057 13.620 -2.030 101 H GLU 14 HN GLU 14 -6.748 10.341 -3.314 102 HA GLU 14 HA GLU 14 -5.813 11.364 -5.867 103 HB2 GLU 14 HB2 GLU 14 -4.383 9.296 -4.278 104 HB3 GLU 14 HB1 GLU 14 -4.514 9.033 -6.011 105 HG2 GLU 14 HG2 GLU 14 -3.038 10.643 -6.496 106 HG3 GLU 14 HG1 GLU 14 -3.660 11.729 -5.254 107 H GLU 15 HN GLU 15 -5.875 9.270 -7.457 108 HA GLU 15 HA GLU 15 -8.102 7.524 -6.870 109 HB2 GLU 15 HB2 GLU 15 -9.475 8.238 -8.751 110 HB3 GLU 15 HB1 GLU 15 -9.233 9.572 -7.631 111 HG2 GLU 15 HG2 GLU 15 -8.093 10.799 -9.127 112 HG3 GLU 15 HG1 GLU 15 -7.283 9.396 -9.822 113 H ALA 16 HN ALA 16 -8.689 6.467 -9.239 114 HA ALA 16 HA ALA 16 -6.227 5.137 -9.968 115 HB1 ALA 16 HB1 ALA 16 -7.548 3.507 -10.981 116 HB2 ALA 16 HB2 ALA 16 -8.888 4.622 -11.246 117 HB3 ALA 16 HB3 ALA 16 -8.530 4.045 -9.618 118 HA PRO 17 HA PRO 17 -5.373 7.349 -13.685 119 HB2 PRO 17 HB2 PRO 17 -4.362 5.400 -15.279 120 HB3 PRO 17 HB1 PRO 17 -3.480 6.063 -13.899 121 HG2 PRO 17 HG2 PRO 17 -5.066 3.531 -14.094 122 HG3 PRO 17 HG1 PRO 17 -3.489 3.807 -13.331 123 HD2 PRO 17 HD2 PRO 17 -5.792 3.676 -11.913 124 HD3 PRO 17 HD1 PRO 17 -4.427 4.700 -11.425 125 H ALA 18 HN ALA 18 -5.727 7.258 -16.122 126 HA ALA 18 HA ALA 18 -8.433 6.222 -16.631 127 HB1 ALA 18 HB1 ALA 18 -8.851 8.031 -18.007 128 HB2 ALA 18 HB2 ALA 18 -7.140 8.318 -18.324 129 HB3 ALA 18 HB3 ALA 18 -7.830 8.747 -16.759 130 H ALA 19 HN ALA 19 -7.622 4.122 -17.184 131 HA ALA 19 HA ALA 19 -6.776 3.984 -19.974 132 HB1 ALA 19 HB1 ALA 19 -4.842 2.827 -19.660 133 HB2 ALA 19 HB2 ALA 19 -5.383 2.114 -18.140 134 HB3 ALA 19 HB3 ALA 19 -4.826 3.787 -18.181 135 H GLU 20 HN GLU 20 -7.278 1.807 -17.187 136 HA GLU 20 HA GLU 20 -8.578 -0.038 -16.913 137 HB2 GLU 20 HB2 GLU 20 -10.176 1.586 -18.854 138 HB3 GLU 20 HB1 GLU 20 -10.694 -0.050 -18.471 139 HG2 GLU 20 HG2 GLU 20 -10.670 0.592 -16.059 140 HG3 GLU 20 HG1 GLU 20 -10.364 2.253 -16.567 141 H ALA 21 HN ALA 21 -9.607 -1.948 -18.187 142 HA ALA 21 HA ALA 21 -9.269 -3.732 -19.558 143 HB1 ALA 21 HB1 ALA 21 -8.764 -3.285 -21.908 144 HB2 ALA 21 HB2 ALA 21 -8.334 -1.624 -21.502 145 HB3 ALA 21 HB3 ALA 21 -9.995 -2.180 -21.295 146 H GLU 22 HN GLU 22 -7.728 -5.073 -18.883 147 HA GLU 22 HA GLU 22 -5.698 -6.048 -18.562 148 HB2 GLU 22 HB2 GLU 22 -5.699 -5.424 -21.128 149 HB3 GLU 22 HB1 GLU 22 -4.447 -4.293 -20.632 150 HG2 GLU 22 HG2 GLU 22 -2.927 -5.909 -20.333 151 HG3 GLU 22 HG1 GLU 22 -4.097 -7.019 -19.620 152 H ALA 23 HN ALA 23 -4.980 -5.460 -16.599 153 HA ALA 23 HA ALA 23 -3.033 -3.308 -16.460 154 HB1 ALA 23 HB1 ALA 23 -4.122 -1.909 -15.064 155 HB2 ALA 23 HB2 ALA 23 -4.974 -3.218 -14.243 156 HB3 ALA 23 HB3 ALA 23 -5.553 -2.630 -15.802 157 H GLU 24 HN GLU 24 -2.808 -6.142 -16.316 158 HA GLU 24 HA GLU 24 -1.785 -6.404 -13.572 159 HB2 GLU 24 HB2 GLU 24 -3.601 -8.228 -15.066 160 HB3 GLU 24 HB1 GLU 24 -2.362 -8.963 -14.058 161 HG2 GLU 24 HG2 GLU 24 -4.274 -6.886 -13.036 162 HG3 GLU 24 HG1 GLU 24 -4.616 -8.615 -12.991 163 H GLU 25 HN GLU 25 0.062 -7.732 -13.331 164 HA GLU 25 HA GLU 25 1.410 -8.489 -15.832 165 HB2 GLU 25 HB2 GLU 25 2.184 -6.263 -14.744 166 HB3 GLU 25 HB1 GLU 25 2.938 -7.296 -13.537 167 HG2 GLU 25 HG2 GLU 25 3.925 -8.480 -15.677 168 HG3 GLU 25 HG1 GLU 25 3.623 -6.899 -16.396 169 H GLU 26 HN GLU 26 1.808 -8.670 -12.289 170 HA GLU 26 HA GLU 26 3.151 -11.194 -12.434 171 HB2 GLU 26 HB2 GLU 26 3.612 -9.589 -10.634 172 HB3 GLU 26 HB1 GLU 26 1.958 -9.750 -10.059 173 HG2 GLU 26 HG2 GLU 26 3.077 -11.137 -8.624 174 HG3 GLU 26 HG1 GLU 26 2.558 -12.273 -9.868 175 H GLU 27 HN GLU 27 -0.141 -10.136 -11.932 176 HA GLU 27 HA GLU 27 -2.115 -11.258 -11.807 177 HB2 GLU 27 HB2 GLU 27 -0.766 -12.489 -13.770 178 HB3 GLU 27 HB1 GLU 27 -0.913 -13.838 -12.652 179 HG2 GLU 27 HG2 GLU 27 -3.328 -12.234 -13.338 180 HG3 GLU 27 HG1 GLU 27 -2.719 -13.429 -14.482 181 H GLY 28 HN GLY 28 -2.873 -11.622 -9.831 182 HA2 GLY 28 HA2 GLY 28 -1.739 -13.885 -8.311 183 HA3 GLY 28 HA1 GLY 28 -2.063 -12.342 -7.534 184 H LEU 29 HN LEU 29 -4.402 -11.557 -7.880 185 HA LEU 29 HA LEU 29 -6.266 -13.827 -7.788 186 HB2 LEU 29 HB2 LEU 29 -5.895 -11.652 -5.760 187 HB3 LEU 29 HB1 LEU 29 -7.461 -12.413 -5.962 188 HG LEU 29 HG LEU 29 -6.341 -13.488 -4.144 189 HD11 LEU 29 HD11 LEU 29 -5.854 -15.516 -6.245 190 HD12 LEU 29 HD12 LEU 29 -7.475 -14.829 -6.142 191 HD13 LEU 29 HD13 LEU 29 -6.768 -15.634 -4.741 192 HD21 LEU 29 HD21 LEU 29 -4.103 -14.538 -5.748 193 HD22 LEU 29 HD22 LEU 29 -4.153 -14.029 -4.060 194 HD23 LEU 29 HD23 LEU 29 -4.024 -12.824 -5.341 195 H HIS 30 HN HIS 30 -8.626 -12.743 -7.553 196 HA HIS 30 HA HIS 30 -9.070 -11.436 -10.027 197 HB2 HIS 30 HB2 HIS 30 -10.631 -12.917 -8.408 198 HB3 HIS 30 HB1 HIS 30 -11.186 -11.310 -7.952 199 HD1 HIS 30 HD1 HIS 30 -10.988 -13.613 -10.927 200 HD2 HIS 30 HD2 HIS 30 -12.815 -10.058 -9.793 201 HE1 HIS 30 HE1 HIS 30 -12.650 -13.102 -12.744 202 HE2 HIS 30 HE2 HIS 30 -13.804 -10.992 -11.993 203 H LEU 31 HN LEU 31 -8.640 -9.381 -10.446 204 HA LEU 31 HA LEU 31 -9.327 -7.358 -8.432 205 HB2 LEU 31 HB2 LEU 31 -6.701 -7.864 -9.695 206 HB3 LEU 31 HB1 LEU 31 -7.194 -6.185 -9.595 207 HG LEU 31 HG LEU 31 -5.843 -6.690 -7.684 208 HD11 LEU 31 HD11 LEU 31 -8.473 -6.805 -6.359 209 HD12 LEU 31 HD12 LEU 31 -8.250 -5.507 -7.531 210 HD13 LEU 31 HD13 LEU 31 -7.148 -5.658 -6.163 211 HD21 LEU 31 HD21 LEU 31 -5.926 -8.581 -6.458 212 HD22 LEU 31 HD22 LEU 31 -6.703 -9.231 -7.901 213 HD23 LEU 31 HD23 LEU 31 -7.685 -8.686 -6.541 214 H GLU 32 HN GLU 32 -8.845 -5.074 -9.680 215 HA GLU 32 HA GLU 32 -9.642 -3.608 -11.224 216 HB2 GLU 32 HB2 GLU 32 -8.967 -6.005 -12.853 217 HB3 GLU 32 HB1 GLU 32 -9.946 -4.759 -13.615 218 HG2 GLU 32 HG2 GLU 32 -7.822 -4.113 -14.192 219 HG3 GLU 32 HG1 GLU 32 -8.110 -3.147 -12.745 220 H ASP 33 HN ASP 33 -11.629 -3.611 -9.978 221 HA ASP 33 HA ASP 33 -13.914 -3.947 -11.600 222 HB2 ASP 33 HB2 ASP 33 -13.518 -6.336 -10.998 223 HB3 ASP 33 HB1 ASP 33 -13.716 -5.905 -9.302 224 H ASP 34 HN ASP 34 -12.687 -3.757 -8.288 225 HA ASP 34 HA ASP 34 -14.775 -1.755 -7.718 226 HB2 ASP 34 HB2 ASP 34 -14.771 -4.078 -6.473 227 HB3 ASP 34 HB1 ASP 34 -13.496 -3.328 -5.516 228 H GLN 35 HN GLN 35 -12.117 -1.332 -8.829 229 HA GLN 35 HA GLN 35 -10.356 0.088 -8.605 230 HB2 GLN 35 HB2 GLN 35 -12.472 1.394 -7.532 231 HB3 GLN 35 HB1 GLN 35 -11.390 1.365 -6.146 232 HG2 GLN 35 HG2 GLN 35 -11.073 3.405 -7.364 233 HG3 GLN 35 HG1 GLN 35 -9.635 2.399 -7.528 234 HE21 GLN 35 HE21 GLN 35 -12.651 3.263 -9.152 235 HE22 GLN 35 HE22 GLN 35 -12.041 3.096 -10.760 236 H GLU 36 HN GLU 36 -10.130 -2.440 -7.384 237 HA GLU 36 HA GLU 36 -8.772 -3.611 -5.986 238 HB2 GLU 36 HB2 GLU 36 -7.455 -0.913 -5.980 239 HB3 GLU 36 HB1 GLU 36 -6.840 -2.207 -4.960 240 HG2 GLU 36 HG2 GLU 36 -5.624 -2.085 -7.055 241 HG3 GLU 36 HG1 GLU 36 -6.501 -3.609 -6.919 242 HA PRO 37 HA PRO 37 -11.176 -2.310 -2.287 243 HB2 PRO 37 HB2 PRO 37 -11.879 -4.828 -1.562 244 HB3 PRO 37 HB1 PRO 37 -12.771 -3.894 -2.768 245 HG2 PRO 37 HG2 PRO 37 -10.712 -6.029 -3.170 246 HG3 PRO 37 HG1 PRO 37 -12.249 -5.784 -4.019 247 HD2 PRO 37 HD2 PRO 37 -9.869 -5.026 -5.065 248 HD3 PRO 37 HD1 PRO 37 -11.377 -4.146 -5.387 249 H ARG 38 HN ARG 38 -10.975 -3.099 0.015 250 HA ARG 38 HA ARG 38 -8.854 -4.725 0.868 251 HB2 ARG 38 HB2 ARG 38 -7.377 -2.879 1.781 252 HB3 ARG 38 HB1 ARG 38 -7.312 -3.126 0.042 253 HG2 ARG 38 HG2 ARG 38 -7.456 -0.862 0.095 254 HG3 ARG 38 HG1 ARG 38 -9.176 -1.256 0.063 255 HD2 ARG 38 HD2 ARG 38 -7.944 -1.140 2.735 256 HD3 ARG 38 HD1 ARG 38 -8.029 0.394 1.871 257 HE ARG 38 HE ARG 38 -10.173 -0.943 3.119 258 HH11 ARG 38 HH11 ARG 38 -9.422 0.850 0.221 259 HH12 ARG 38 HH12 ARG 38 -11.042 1.422 0.005 260 HH21 ARG 38 HH21 ARG 38 -12.305 -0.192 2.836 261 HH22 ARG 38 HH22 ARG 38 -12.679 0.830 1.490 262 H GLU 39 HN GLU 39 -8.460 -4.541 3.221 263 HA GLU 39 HA GLU 39 -10.866 -3.518 4.569 264 HB2 GLU 39 HB2 GLU 39 -9.930 -6.052 4.582 265 HB3 GLU 39 HB1 GLU 39 -9.088 -5.413 5.987 266 HG2 GLU 39 HG2 GLU 39 -10.926 -5.965 7.111 267 HG3 GLU 39 HG1 GLU 39 -11.629 -4.514 6.398 268 H HIS 40 HN HIS 40 -10.112 -3.452 7.153 269 HA HIS 40 HA HIS 40 -8.062 -1.345 7.166 270 HB2 HIS 40 HB2 HIS 40 -10.117 -1.866 9.314 271 HB3 HIS 40 HB1 HIS 40 -9.132 -0.424 9.091 272 HD1 HIS 40 HD1 HIS 40 -10.620 1.414 8.390 273 HD2 HIS 40 HD2 HIS 40 -11.660 -2.180 6.583 274 HE1 HIS 40 HE1 HIS 40 -12.528 1.965 6.847 275 HE2 HIS 40 HE2 HIS 40 -13.082 -0.209 5.700 276 HA PRO 41 HA PRO 41 -5.432 -3.952 9.587 277 HB2 PRO 41 HB2 PRO 41 -3.818 -2.104 10.704 278 HB3 PRO 41 HB1 PRO 41 -3.755 -2.489 8.980 279 HG2 PRO 41 HG2 PRO 41 -5.095 -0.196 10.362 280 HG3 PRO 41 HG1 PRO 41 -4.130 -0.196 8.874 281 HD2 PRO 41 HD2 PRO 41 -6.855 -0.174 8.885 282 HD3 PRO 41 HD1 PRO 41 -5.894 -0.902 7.582 283 H ILE 42 HN ILE 42 -4.307 -3.649 11.959 284 HA ILE 42 HA ILE 42 -6.553 -3.189 13.811 285 HB ILE 42 HB ILE 42 -5.914 -5.560 13.639 286 HG12 ILE 42 HG12 ILE 42 -5.091 -4.398 16.306 287 HG13 ILE 42 HG11 ILE 42 -6.763 -4.554 15.776 288 HG21 ILE 42 HG21 ILE 42 -3.812 -6.339 13.777 289 HG22 ILE 42 HG22 ILE 42 -3.367 -5.209 15.055 290 HG23 ILE 42 HG23 ILE 42 -3.367 -4.681 13.373 291 HD11 ILE 42 HD11 ILE 42 -5.387 -7.058 15.501 292 HD12 ILE 42 HD12 ILE 42 -6.829 -6.662 16.436 293 HD13 ILE 42 HD13 ILE 42 -5.229 -6.434 17.143 294 H MET 43 HN MET 43 -5.976 -2.503 15.988 295 HA MET 43 HA MET 43 -4.297 -0.273 16.024 296 HB2 MET 43 HB2 MET 43 -4.587 -0.336 18.488 297 HB3 MET 43 HB1 MET 43 -6.103 -0.495 17.612 298 HG2 MET 43 HG2 MET 43 -5.448 -3.090 17.916 299 HG3 MET 43 HG1 MET 43 -4.717 -2.403 19.365 300 HE1 MET 43 HE1 MET 43 -8.944 -3.080 18.181 301 HE2 MET 43 HE2 MET 43 -8.078 -4.358 19.034 302 HE3 MET 43 HE3 MET 43 -7.411 -3.680 17.549 303 H GLY 44 HN GLY 44 -2.284 0.119 17.005 304 HA2 GLY 44 HA2 GLY 44 -0.646 -1.553 18.399 305 HA3 GLY 44 HA1 GLY 44 -0.418 -2.055 16.731 306 H GLY 45 HN GLY 45 1.715 -1.117 18.153 307 HA2 GLY 45 HA2 GLY 45 2.063 1.701 17.475 308 HA3 GLY 45 HA1 GLY 45 3.173 0.713 18.412 309 H ILE 46 HN ILE 46 4.906 1.538 17.142 310 HA ILE 46 HA ILE 46 4.952 0.770 14.323 311 HB ILE 46 HB ILE 46 7.142 2.216 15.801 312 HG12 ILE 46 HG12 ILE 46 5.061 3.466 16.136 313 HG13 ILE 46 HG11 ILE 46 6.130 4.324 15.031 314 HG21 ILE 46 HG21 ILE 46 7.480 3.151 13.459 315 HG22 ILE 46 HG22 ILE 46 6.385 1.880 12.914 316 HG23 ILE 46 HG23 ILE 46 7.900 1.457 13.712 317 HD11 ILE 46 HD11 ILE 46 4.644 2.877 13.294 318 HD12 ILE 46 HD12 ILE 46 4.282 4.529 13.792 319 HD13 ILE 46 HD13 ILE 46 3.477 3.174 14.582 320 H TYR 47 HN TYR 47 4.999 -1.536 14.924 321 HA TYR 47 HA TYR 47 7.569 -2.624 14.666 322 HB2 TYR 47 HB2 TYR 47 7.450 -1.837 17.163 323 HB3 TYR 47 HB1 TYR 47 6.478 -3.289 17.378 324 HD1 TYR 47 HD2 TYR 47 7.519 -5.514 16.576 325 HD2 TYR 47 HD1 TYR 47 9.775 -1.967 17.232 326 HE1 TYR 47 HE2 TYR 47 9.568 -6.860 16.769 327 HE2 TYR 47 HE1 TYR 47 11.830 -3.303 17.425 328 HH TYR 47 HH TYR 47 12.684 -5.479 16.741 329 H ASP 48 HN ASP 48 4.292 -3.148 15.873 330 HA ASP 48 HA ASP 48 4.158 -5.919 15.531 331 HB2 ASP 48 HB2 ASP 48 2.146 -3.715 15.650 332 HB3 ASP 48 HB1 ASP 48 1.613 -5.305 15.112 333 H ALA 49 HN ALA 49 4.075 -7.188 13.795 334 HA ALA 49 HA ALA 49 3.112 -6.111 11.253 335 HB1 ALA 49 HB1 ALA 49 5.820 -7.378 11.633 336 HB2 ALA 49 HB2 ALA 49 5.474 -5.732 11.104 337 HB3 ALA 49 HB3 ALA 49 5.066 -7.096 10.064 338 HA PRO 50 HA PRO 50 1.997 -10.602 12.188 339 HB2 PRO 50 HB2 PRO 50 -0.573 -10.327 12.913 340 HB3 PRO 50 HB1 PRO 50 0.745 -10.141 14.076 341 HG2 PRO 50 HG2 PRO 50 -0.834 -8.036 12.651 342 HG3 PRO 50 HG1 PRO 50 -0.326 -8.095 14.348 343 HD2 PRO 50 HD2 PRO 50 0.974 -6.647 12.423 344 HD3 PRO 50 HD1 PRO 50 1.767 -7.289 13.875 345 H LEU 51 HN LEU 51 0.183 -8.013 10.637 346 HA LEU 51 HA LEU 51 -1.009 -7.898 8.702 347 HB2 LEU 51 HB2 LEU 51 1.322 -8.931 8.017 348 HB3 LEU 51 HB1 LEU 51 0.349 -10.349 7.675 349 HG LEU 51 HG LEU 51 -0.107 -7.623 6.460 350 HD11 LEU 51 HD11 LEU 51 0.752 -9.865 4.769 351 HD12 LEU 51 HD12 LEU 51 1.976 -9.253 5.883 352 HD13 LEU 51 HD13 LEU 51 1.212 -8.163 4.725 353 HD21 LEU 51 HD21 LEU 51 -1.615 -8.815 4.952 354 HD22 LEU 51 HD22 LEU 51 -2.137 -8.963 6.631 355 HD23 LEU 51 HD23 LEU 51 -1.323 -10.312 5.838 356 H ASN 52 HN ASN 52 -2.883 -8.563 9.986 357 HA ASN 52 HA ASN 52 -3.783 -11.196 10.219 358 HB2 ASN 52 HB2 ASN 52 -4.715 -9.204 11.425 359 HB3 ASN 52 HB1 ASN 52 -5.524 -8.741 9.931 360 HD21 ASN 52 HD21 ASN 52 -5.349 -11.131 12.472 361 HD22 ASN 52 HD22 ASN 52 -6.914 -11.812 12.205 362 H ASN 53 HN ASN 53 -4.763 -8.740 7.824 363 HA ASN 53 HA ASN 53 -6.247 -10.581 6.251 364 HB2 ASN 53 HB2 ASN 53 -5.372 -7.753 5.975 365 HB3 ASN 53 HB1 ASN 53 -5.855 -8.600 4.510 366 HD21 ASN 53 HD21 ASN 53 -7.899 -10.132 5.251 367 HD22 ASN 53 HD22 ASN 53 -9.206 -9.182 5.863 368 H GLU 54 HN GLU 54 -4.362 -12.174 6.310 369 HA GLU 54 HA GLU 54 -2.470 -11.651 4.123 370 HB2 GLU 54 HB2 GLU 54 -1.112 -13.444 5.050 371 HB3 GLU 54 HB1 GLU 54 -1.473 -12.252 6.291 372 HG2 GLU 54 HG2 GLU 54 -2.963 -13.664 7.388 373 HG3 GLU 54 HG1 GLU 54 -3.142 -14.716 5.986 374 H ASN 55 HN ASN 55 -5.391 -12.658 4.085 375 HA ASN 55 HA ASN 55 -5.452 -15.326 3.262 376 HB2 ASN 55 HB2 ASN 55 -7.577 -14.690 2.098 377 HB3 ASN 55 HB1 ASN 55 -7.503 -14.179 3.782 378 HD21 ASN 55 HD21 ASN 55 -8.635 -13.229 0.981 379 HD22 ASN 55 HD22 ASN 55 -8.427 -11.517 1.086 380 H GLY 56 HN GLY 56 -4.564 -12.416 1.546 381 HA2 GLY 56 HA2 GLY 56 -2.935 -12.870 -0.294 382 HA3 GLY 56 HA1 GLY 56 -4.102 -14.048 -0.875 383 H PHE 57 HN PHE 57 -6.467 -12.746 -0.734 384 HA PHE 57 HA PHE 57 -6.394 -11.081 -3.010 385 HB2 PHE 57 HB2 PHE 57 -8.580 -11.533 -0.969 386 HB3 PHE 57 HB1 PHE 57 -8.801 -10.651 -2.476 387 HD1 PHE 57 HD1 PHE 57 -8.031 -13.955 -1.030 388 HD2 PHE 57 HD2 PHE 57 -9.122 -11.783 -4.522 389 HE1 PHE 57 HE1 PHE 57 -8.522 -16.070 -2.187 390 HE2 PHE 57 HE2 PHE 57 -9.617 -13.894 -5.686 391 HZ PHE 57 HZ PHE 57 -9.317 -16.041 -4.518 392 H ASP 58 HN ASP 58 -6.547 -10.404 0.441 393 HA ASP 58 HA ASP 58 -7.026 -7.614 0.180 394 HB2 ASP 58 HB2 ASP 58 -7.361 -9.144 2.243 395 HB3 ASP 58 HB1 ASP 58 -5.649 -8.863 2.544 396 H LYS 59 HN LYS 59 -4.082 -9.496 0.872 397 HA LYS 59 HA LYS 59 -2.319 -7.324 0.992 398 HB2 LYS 59 HB2 LYS 59 -0.551 -8.916 0.822 399 HB3 LYS 59 HB1 LYS 59 -1.845 -9.684 1.730 400 HG2 LYS 59 HG2 LYS 59 -2.499 -10.980 -0.168 401 HG3 LYS 59 HG1 LYS 59 -1.382 -10.103 -1.213 402 HD2 LYS 59 HD2 LYS 59 -0.197 -11.382 1.169 403 HD3 LYS 59 HD1 LYS 59 -0.810 -12.475 -0.074 404 HE2 LYS 59 HE2 LYS 59 0.589 -11.477 -1.737 405 HE3 LYS 59 HE1 LYS 59 1.067 -10.186 -0.636 406 HZ1 LYS 59 HZ1 LYS 59 2.099 -11.917 0.779 407 HZ2 LYS 59 HZ2 LYS 59 2.817 -11.782 -0.747 408 HZ3 LYS 59 HZ3 LYS 59 1.763 -13.063 -0.419 409 H GLU 60 HN GLU 60 -3.450 -9.253 -1.731 410 HA GLU 60 HA GLU 60 -1.677 -8.164 -3.653 411 HB2 GLU 60 HB2 GLU 60 -4.299 -9.626 -3.844 412 HB3 GLU 60 HB1 GLU 60 -3.490 -9.009 -5.278 413 HG2 GLU 60 HG2 GLU 60 -1.755 -10.565 -3.518 414 HG3 GLU 60 HG1 GLU 60 -3.111 -11.474 -4.183 415 H ASP 61 HN ASP 61 -5.134 -7.522 -3.050 416 HA ASP 61 HA ASP 61 -5.399 -5.410 -4.857 417 HB2 ASP 61 HB2 ASP 61 -6.897 -5.822 -2.260 418 HB3 ASP 61 HB1 ASP 61 -7.416 -4.805 -3.601 419 H LEU 62 HN LEU 62 -4.482 -5.409 -1.441 420 HA LEU 62 HA LEU 62 -4.416 -2.627 -1.071 421 HB2 LEU 62 HB2 LEU 62 -4.391 -4.109 0.816 422 HB3 LEU 62 HB1 LEU 62 -2.897 -4.851 0.280 423 HG LEU 62 HG LEU 62 -1.605 -2.987 0.906 424 HD11 LEU 62 HD11 LEU 62 -2.471 -0.832 1.507 425 HD12 LEU 62 HD12 LEU 62 -4.132 -1.413 1.374 426 HD13 LEU 62 HD13 LEU 62 -3.125 -1.280 -0.068 427 HD21 LEU 62 HD21 LEU 62 -2.644 -2.448 3.273 428 HD22 LEU 62 HD22 LEU 62 -1.963 -4.032 2.901 429 HD23 LEU 62 HD23 LEU 62 -3.709 -3.787 2.842 430 H ALA 63 HN ALA 63 -1.749 -4.882 -1.798 431 HA ALA 63 HA ALA 63 0.290 -3.005 -2.016 432 HB1 ALA 63 HB1 ALA 63 1.518 -4.672 -3.255 433 HB2 ALA 63 HB2 ALA 63 0.031 -5.549 -3.615 434 HB3 ALA 63 HB3 ALA 63 0.619 -5.454 -1.955 435 H ARG 64 HN ARG 64 -1.683 -4.389 -4.647 436 HA ARG 64 HA ARG 64 -0.620 -2.792 -6.696 437 HB2 ARG 64 HB2 ARG 64 -2.184 -4.907 -6.756 438 HB3 ARG 64 HB1 ARG 64 -3.467 -3.705 -6.783 439 HG2 ARG 64 HG2 ARG 64 -1.226 -3.974 -8.775 440 HG3 ARG 64 HG1 ARG 64 -2.921 -4.394 -9.029 441 HD2 ARG 64 HD2 ARG 64 -3.364 -1.918 -8.394 442 HD3 ARG 64 HD1 ARG 64 -1.656 -1.694 -8.766 443 HE ARG 64 HE ARG 64 -3.795 -2.143 -10.632 444 HH11 ARG 64 HH11 ARG 64 -0.356 -2.418 -10.103 445 HH12 ARG 64 HH12 ARG 64 0.033 -2.385 -11.790 446 HH21 ARG 64 HH21 ARG 64 -3.285 -2.099 -12.852 447 HH22 ARG 64 HH22 ARG 64 -1.630 -2.203 -13.351 448 H PHE 65 HN PHE 65 -3.287 -2.274 -4.462 449 HA PHE 65 HA PHE 65 -4.451 -0.037 -5.661 450 HB2 PHE 65 HB2 PHE 65 -5.521 -1.227 -3.821 451 HB3 PHE 65 HB1 PHE 65 -4.234 -0.738 -2.725 452 HD1 PHE 65 HD2 PHE 65 -6.601 0.892 -5.113 453 HD2 PHE 65 HD1 PHE 65 -4.739 0.964 -1.287 454 HE1 PHE 65 HE2 PHE 65 -7.870 2.920 -4.538 455 HE2 PHE 65 HE1 PHE 65 -6.005 2.992 -0.704 456 HZ PHE 65 HZ PHE 65 -7.573 3.973 -2.331 457 H ALA 66 HN ALA 66 -2.116 -0.080 -2.959 458 HA ALA 66 HA ALA 66 -1.660 2.674 -2.883 459 HB1 ALA 66 HB1 ALA 66 -0.308 0.275 -1.836 460 HB2 ALA 66 HB2 ALA 66 -0.777 1.765 -1.017 461 HB3 ALA 66 HB3 ALA 66 0.696 1.718 -1.986 462 H VAL 67 HN VAL 67 0.298 0.137 -4.452 463 HA VAL 67 HA VAL 67 2.248 1.722 -5.587 464 HB VAL 67 HB VAL 67 0.988 -0.705 -6.876 465 HG11 VAL 67 HG11 VAL 67 3.692 0.579 -7.242 466 HG12 VAL 67 HG12 VAL 67 2.390 0.496 -8.429 467 HG13 VAL 67 HG13 VAL 67 3.215 -0.978 -7.919 468 HG21 VAL 67 HG21 VAL 67 2.065 -2.043 -5.435 469 HG22 VAL 67 HG22 VAL 67 2.133 -0.617 -4.399 470 HG23 VAL 67 HG23 VAL 67 3.508 -1.030 -5.422 471 H ARG 68 HN ARG 68 -0.861 0.770 -7.036 472 HA ARG 68 HA ARG 68 -0.522 2.304 -9.393 473 HB2 ARG 68 HB2 ARG 68 -2.063 0.446 -9.365 474 HB3 ARG 68 HB1 ARG 68 -3.000 1.184 -8.074 475 HG2 ARG 68 HG2 ARG 68 -3.866 2.836 -9.502 476 HG3 ARG 68 HG1 ARG 68 -2.667 2.498 -10.752 477 HD2 ARG 68 HD2 ARG 68 -4.082 1.077 -11.702 478 HD3 ARG 68 HD1 ARG 68 -4.052 0.086 -10.245 479 HE ARG 68 HE ARG 68 -6.134 1.892 -11.080 480 HH11 ARG 68 HH11 ARG 68 -4.704 0.203 -8.381 481 HH12 ARG 68 HH12 ARG 68 -6.148 0.246 -7.428 482 HH21 ARG 68 HH21 ARG 68 -8.034 1.950 -9.826 483 HH22 ARG 68 HH22 ARG 68 -8.039 1.237 -8.248 484 H GLU 69 HN GLU 69 -1.712 3.026 -6.202 485 HA GLU 69 HA GLU 69 -3.144 5.380 -6.797 486 HB2 GLU 69 HB2 GLU 69 -2.410 3.915 -4.474 487 HB3 GLU 69 HB1 GLU 69 -1.928 5.585 -4.216 488 HG2 GLU 69 HG2 GLU 69 -4.652 5.031 -5.270 489 HG3 GLU 69 HG1 GLU 69 -4.320 4.738 -3.564 490 H TYR 70 HN TYR 70 0.244 4.795 -5.973 491 HA TYR 70 HA TYR 70 0.853 7.632 -6.215 492 HB2 TYR 70 HB2 TYR 70 2.806 7.199 -5.098 493 HB3 TYR 70 HB1 TYR 70 1.852 5.835 -4.530 494 HD1 TYR 70 HD2 TYR 70 4.488 6.850 -6.916 495 HD2 TYR 70 HD1 TYR 70 2.481 3.604 -5.037 496 HE1 TYR 70 HE2 TYR 70 6.203 5.306 -7.766 497 HE2 TYR 70 HE1 TYR 70 4.191 2.051 -5.882 498 HH TYR 70 HH TYR 70 6.461 2.932 -8.262 499 H ASN 71 HN ASN 71 0.906 4.799 -8.145 500 HA ASN 71 HA ASN 71 2.910 5.776 -9.985 501 HB2 ASN 71 HB2 ASN 71 1.233 3.308 -9.782 502 HB3 ASN 71 HB1 ASN 71 1.977 3.714 -11.326 503 HD21 ASN 71 HD21 ASN 71 4.344 4.228 -11.197 504 HD22 ASN 71 HD22 ASN 71 5.305 3.233 -10.163 505 H ASN 72 HN ASN 72 -0.535 5.928 -9.660 506 HA ASN 72 HA ASN 72 -0.984 6.551 -12.445 507 HB2 ASN 72 HB2 ASN 72 -3.261 6.521 -11.966 508 HB3 ASN 72 HB1 ASN 72 -2.616 5.375 -10.799 509 HD21 ASN 72 HD21 ASN 72 -2.574 5.916 -8.625 510 HD22 ASN 72 HD22 ASN 72 -3.473 7.246 -7.988 511 H LYS 73 HN LYS 73 -0.689 8.303 -9.412 512 HA LYS 73 HA LYS 73 -1.678 10.773 -10.103 513 HB2 LYS 73 HB2 LYS 73 0.222 11.657 -8.561 514 HB3 LYS 73 HB1 LYS 73 -1.045 10.642 -7.889 515 HG2 LYS 73 HG2 LYS 73 0.357 8.792 -7.731 516 HG3 LYS 73 HG1 LYS 73 1.542 9.476 -8.842 517 HD2 LYS 73 HD2 LYS 73 1.702 11.354 -7.013 518 HD3 LYS 73 HD1 LYS 73 1.061 10.089 -5.963 519 HE2 LYS 73 HE2 LYS 73 2.910 8.662 -6.423 520 HE3 LYS 73 HE1 LYS 73 3.475 9.712 -7.721 521 HZ1 LYS 73 HZ1 LYS 73 4.237 11.287 -6.226 522 HZ2 LYS 73 HZ2 LYS 73 4.633 9.835 -5.455 523 HZ3 LYS 73 HZ3 LYS 73 3.278 10.715 -4.954 524 H ASN 74 HN ASN 74 1.589 9.534 -10.731 525 HA ASN 74 HA ASN 74 1.881 10.942 -13.131 526 HB2 ASN 74 HB2 ASN 74 3.748 12.490 -12.226 527 HB3 ASN 74 HB1 ASN 74 2.068 12.967 -12.016 528 HD21 ASN 74 HD21 ASN 74 4.670 11.233 -10.355 529 HD22 ASN 74 HD22 ASN 74 4.250 11.773 -8.771 530 H ASN 75 HN ASN 75 3.404 9.375 -10.383 531 HA ASN 75 HA ASN 75 5.952 8.917 -11.288 532 HB2 ASN 75 HB2 ASN 75 4.441 8.015 -9.178 533 HB3 ASN 75 HB1 ASN 75 4.744 6.533 -10.078 534 HD21 ASN 75 HD21 ASN 75 6.787 5.703 -10.171 535 HD22 ASN 75 HD22 ASN 75 8.102 6.314 -9.232 536 H ALA 76 HN ALA 76 6.790 6.638 -11.938 537 HA ALA 76 HA ALA 76 6.050 6.163 -14.587 538 HB1 ALA 76 HB1 ALA 76 7.607 4.408 -14.586 539 HB2 ALA 76 HB2 ALA 76 7.395 4.106 -12.862 540 HB3 ALA 76 HB3 ALA 76 8.227 5.563 -13.406 541 H LEU 77 HN LEU 77 5.708 3.589 -15.125 542 HA LEU 77 HA LEU 77 3.221 2.834 -13.734 543 HB2 LEU 77 HB2 LEU 77 3.746 3.319 -16.552 544 HB3 LEU 77 HB1 LEU 77 3.078 1.721 -16.280 545 HG LEU 77 HG LEU 77 1.366 3.445 -16.784 546 HD11 LEU 77 HD11 LEU 77 0.866 1.397 -15.473 547 HD12 LEU 77 HD12 LEU 77 -0.187 2.759 -15.090 548 HD13 LEU 77 HD13 LEU 77 1.127 2.326 -13.997 549 HD21 LEU 77 HD21 LEU 77 0.795 5.051 -14.983 550 HD22 LEU 77 HD22 LEU 77 2.357 5.369 -15.737 551 HD23 LEU 77 HD23 LEU 77 2.283 4.596 -14.154 552 H LEU 78 HN LEU 78 4.544 1.490 -12.370 553 HA LEU 78 HA LEU 78 5.686 -0.870 -13.693 554 HB2 LEU 78 HB2 LEU 78 6.551 -1.275 -11.275 555 HB3 LEU 78 HB1 LEU 78 7.330 -0.076 -12.289 556 HG LEU 78 HG LEU 78 6.124 1.712 -11.147 557 HD11 LEU 78 HD11 LEU 78 4.729 -0.587 -9.875 558 HD12 LEU 78 HD12 LEU 78 4.084 0.949 -10.453 559 HD13 LEU 78 HD13 LEU 78 4.975 0.883 -8.932 560 HD21 LEU 78 HD21 LEU 78 7.888 -0.180 -9.739 561 HD22 LEU 78 HD22 LEU 78 7.021 0.965 -8.715 562 HD23 LEU 78 HD23 LEU 78 8.063 1.554 -10.010 563 H GLU 79 HN GLU 79 5.540 -2.830 -11.930 564 HA GLU 79 HA GLU 79 2.766 -3.021 -11.005 565 HB2 GLU 79 HB2 GLU 79 4.126 -5.045 -12.791 566 HB3 GLU 79 HB1 GLU 79 2.576 -5.289 -11.997 567 HG2 GLU 79 HG2 GLU 79 1.697 -4.521 -13.891 568 HG3 GLU 79 HG1 GLU 79 2.173 -2.929 -13.300 569 H PHE 80 HN PHE 80 2.464 -4.253 -9.202 570 HA PHE 80 HA PHE 80 4.856 -5.014 -7.756 571 HB2 PHE 80 HB2 PHE 80 3.626 -4.747 -5.866 572 HB3 PHE 80 HB1 PHE 80 2.547 -3.864 -6.938 573 HD1 PHE 80 HD1 PHE 80 0.545 -5.043 -7.886 574 HD2 PHE 80 HD2 PHE 80 2.943 -6.716 -4.794 575 HE1 PHE 80 HE1 PHE 80 -1.277 -6.596 -7.319 576 HE2 PHE 80 HE2 PHE 80 1.126 -8.273 -4.222 577 HZ PHE 80 HZ PHE 80 -0.987 -8.215 -5.486 578 H VAL 81 HN VAL 81 5.259 -7.085 -6.901 579 HA VAL 81 HA VAL 81 4.010 -9.244 -8.454 580 HB VAL 81 HB VAL 81 5.980 -10.601 -7.828 581 HG11 VAL 81 HG11 VAL 81 7.607 -9.409 -9.244 582 HG12 VAL 81 HG12 VAL 81 6.600 -7.964 -9.153 583 HG13 VAL 81 HG13 VAL 81 5.986 -9.419 -9.939 584 HG21 VAL 81 HG21 VAL 81 7.014 -8.037 -6.619 585 HG22 VAL 81 HG22 VAL 81 7.918 -9.541 -6.796 586 HG23 VAL 81 HG23 VAL 81 6.521 -9.472 -5.721 587 H ARG 82 HN ARG 82 4.860 -8.243 -5.186 588 HA ARG 82 HA ARG 82 2.703 -9.480 -3.948 589 HB2 ARG 82 HB2 ARG 82 3.605 -11.426 -2.904 590 HB3 ARG 82 HB1 ARG 82 3.909 -11.570 -4.630 591 HG2 ARG 82 HG2 ARG 82 6.196 -10.907 -4.329 592 HG3 ARG 82 HG1 ARG 82 5.913 -10.605 -2.616 593 HD2 ARG 82 HD2 ARG 82 5.509 -13.294 -3.905 594 HD3 ARG 82 HD1 ARG 82 7.035 -12.796 -3.174 595 HE ARG 82 HE ARG 82 4.660 -13.631 -1.811 596 HH11 ARG 82 HH11 ARG 82 7.528 -11.660 -1.549 597 HH12 ARG 82 HH12 ARG 82 7.561 -11.718 0.182 598 HH21 ARG 82 HH21 ARG 82 4.701 -13.707 0.465 599 HH22 ARG 82 HH22 ARG 82 5.956 -12.880 1.325 600 H VAL 83 HN VAL 83 2.924 -9.523 -1.534 601 HA VAL 83 HA VAL 83 4.506 -7.227 -0.717 602 HB VAL 83 HB VAL 83 3.171 -7.115 1.232 603 HG11 VAL 83 HG11 VAL 83 0.879 -7.966 -0.273 604 HG12 VAL 83 HG12 VAL 83 2.031 -7.145 -1.325 605 HG13 VAL 83 HG13 VAL 83 1.420 -6.334 0.117 606 HG21 VAL 83 HG21 VAL 83 2.577 -9.975 0.651 607 HG22 VAL 83 HG22 VAL 83 1.380 -9.018 1.524 608 HG23 VAL 83 HG23 VAL 83 3.009 -9.198 2.175 609 H VAL 84 HN VAL 84 6.053 -7.242 0.885 610 HA VAL 84 HA VAL 84 6.993 -9.903 1.730 611 HB VAL 84 HB VAL 84 8.550 -8.868 0.166 612 HG11 VAL 84 HG11 VAL 84 9.736 -6.778 1.522 613 HG12 VAL 84 HG12 VAL 84 8.011 -6.513 1.777 614 HG13 VAL 84 HG13 VAL 84 8.651 -6.643 0.139 615 HG21 VAL 84 HG21 VAL 84 10.558 -9.094 1.456 616 HG22 VAL 84 HG22 VAL 84 9.378 -10.256 2.064 617 HG23 VAL 84 HG23 VAL 84 9.690 -8.766 2.955 618 H LYS 85 HN LYS 85 5.929 -6.810 2.766 619 HA LYS 85 HA LYS 85 6.386 -7.591 5.536 620 HB2 LYS 85 HB2 LYS 85 7.087 -4.789 4.711 621 HB3 LYS 85 HB1 LYS 85 7.500 -5.634 6.196 622 HG2 LYS 85 HG2 LYS 85 8.858 -7.193 4.625 623 HG3 LYS 85 HG1 LYS 85 8.741 -5.845 3.492 624 HD2 LYS 85 HD2 LYS 85 9.624 -4.381 5.369 625 HD3 LYS 85 HD1 LYS 85 10.003 -5.878 6.223 626 HE2 LYS 85 HE2 LYS 85 11.202 -6.507 3.991 627 HE3 LYS 85 HE1 LYS 85 11.192 -4.765 3.719 628 HZ1 LYS 85 HZ1 LYS 85 12.485 -4.403 5.627 629 HZ2 LYS 85 HZ2 LYS 85 13.216 -5.716 4.851 630 HZ3 LYS 85 HZ3 LYS 85 12.243 -5.973 6.210 631 H ALA 86 HN ALA 86 5.084 -6.419 7.060 632 HA ALA 86 HA ALA 86 3.056 -4.611 6.085 633 HB1 ALA 86 HB1 ALA 86 2.456 -7.458 6.706 634 HB2 ALA 86 HB2 ALA 86 1.773 -6.403 5.469 635 HB3 ALA 86 HB3 ALA 86 1.274 -6.227 7.152 636 H LYS 87 HN LYS 87 2.674 -3.163 7.627 637 HA LYS 87 HA LYS 87 2.970 -3.979 10.439 638 HB2 LYS 87 HB2 LYS 87 4.086 -1.522 9.094 639 HB3 LYS 87 HB1 LYS 87 3.897 -1.642 10.837 640 HG2 LYS 87 HG2 LYS 87 6.096 -2.252 10.534 641 HG3 LYS 87 HG1 LYS 87 5.281 -3.816 10.592 642 HD2 LYS 87 HD2 LYS 87 5.603 -4.220 8.364 643 HD3 LYS 87 HD1 LYS 87 5.601 -2.506 7.943 644 HE2 LYS 87 HE2 LYS 87 7.822 -3.924 9.410 645 HE3 LYS 87 HE1 LYS 87 7.819 -3.576 7.682 646 HZ1 LYS 87 HZ1 LYS 87 7.342 -1.157 8.651 647 HZ2 LYS 87 HZ2 LYS 87 8.904 -1.744 8.376 648 HZ3 LYS 87 HZ3 LYS 87 8.248 -1.787 9.934 649 H GLU 88 HN GLU 88 1.649 -2.909 11.934 650 HA GLU 88 HA GLU 88 -0.563 -1.373 10.735 651 HB2 GLU 88 HB2 GLU 88 -2.027 -2.299 12.445 652 HB3 GLU 88 HB1 GLU 88 -1.258 -3.594 11.538 653 HG2 GLU 88 HG2 GLU 88 0.483 -3.271 13.600 654 HG3 GLU 88 HG1 GLU 88 -1.057 -2.897 14.371 655 H GLN 89 HN GLN 89 -0.869 0.629 11.464 656 HA GLN 89 HA GLN 89 0.125 1.347 14.128 657 HB2 GLN 89 HB2 GLN 89 0.599 3.009 11.648 658 HB3 GLN 89 HB1 GLN 89 1.108 3.407 13.283 659 HG2 GLN 89 HG2 GLN 89 2.782 1.817 13.292 660 HG3 GLN 89 HG1 GLN 89 2.032 0.872 12.008 661 HE21 GLN 89 HE21 GLN 89 2.618 4.344 12.066 662 HE22 GLN 89 HE22 GLN 89 3.716 4.365 10.732 663 H VAL 90 HN VAL 90 -0.888 3.192 15.068 664 HA VAL 90 HA VAL 90 -3.514 3.793 13.872 665 HB VAL 90 HB VAL 90 -2.797 3.973 16.798 666 HG11 VAL 90 HG11 VAL 90 -5.334 4.269 15.230 667 HG12 VAL 90 HG12 VAL 90 -4.636 5.357 16.430 668 HG13 VAL 90 HG13 VAL 90 -5.360 3.831 16.938 669 HG21 VAL 90 HG21 VAL 90 -2.696 1.641 15.776 670 HG22 VAL 90 HG22 VAL 90 -4.437 1.794 15.537 671 HG23 VAL 90 HG23 VAL 90 -3.761 1.861 17.165 672 H VAL 91 HN VAL 91 -3.829 5.802 13.209 673 HA VAL 91 HA VAL 91 -2.866 8.072 14.682 674 HB VAL 91 HB VAL 91 -1.717 9.045 12.607 675 HG11 VAL 91 HG11 VAL 91 0.379 8.370 13.373 676 HG12 VAL 91 HG12 VAL 91 -0.197 6.765 13.822 677 HG13 VAL 91 HG13 VAL 91 -0.665 8.170 14.780 678 HG21 VAL 91 HG21 VAL 91 -1.019 7.695 10.890 679 HG22 VAL 91 HG22 VAL 91 -2.567 6.942 11.275 680 HG23 VAL 91 HG23 VAL 91 -1.068 6.232 11.874 681 H SER 92 HN SER 92 -4.891 8.912 14.762 682 HA SER 92 HA SER 92 -6.778 9.993 14.092 683 HB2 SER 92 HB2 SER 92 -5.299 10.365 11.476 684 HB3 SER 92 HB1 SER 92 -6.684 11.300 12.038 685 HG SER 92 HG SER 92 -5.441 12.264 13.544 686 H GLY 93 HN GLY 93 -6.371 7.087 13.559 687 HA2 GLY 93 HA2 GLY 93 -8.705 6.191 12.707 688 HA3 GLY 93 HA1 GLY 93 -7.985 6.640 11.168 689 H MET 94 HN MET 94 -6.872 5.120 10.139 690 HA MET 94 HA MET 94 -5.447 3.081 11.660 691 HB2 MET 94 HB2 MET 94 -7.593 2.474 9.624 692 HB3 MET 94 HB1 MET 94 -6.415 1.290 10.173 693 HG2 MET 94 HG2 MET 94 -8.191 2.754 12.092 694 HG3 MET 94 HG1 MET 94 -8.715 1.286 11.269 695 HE1 MET 94 HE1 MET 94 -8.087 2.474 14.232 696 HE2 MET 94 HE2 MET 94 -6.332 2.541 14.391 697 HE3 MET 94 HE3 MET 94 -7.242 1.269 15.205 698 H MET 95 HN MET 95 -3.446 3.148 10.898 699 HA MET 95 HA MET 95 -3.056 3.538 8.002 700 HB2 MET 95 HB2 MET 95 -2.169 5.215 9.950 701 HB3 MET 95 HB1 MET 95 -0.788 4.139 9.792 702 HG2 MET 95 HG2 MET 95 -0.569 4.654 7.468 703 HG3 MET 95 HG1 MET 95 -2.072 5.575 7.483 704 HE1 MET 95 HE1 MET 95 -1.178 8.984 8.681 705 HE2 MET 95 HE2 MET 95 -2.314 7.760 9.246 706 HE3 MET 95 HE3 MET 95 -2.081 8.015 7.517 707 H HIS 96 HN HIS 96 -2.008 1.981 6.928 708 HA HIS 96 HA HIS 96 -0.617 -0.078 8.513 709 HB2 HIS 96 HB2 HIS 96 -2.838 -0.619 7.222 710 HB3 HIS 96 HB1 HIS 96 -1.778 -0.671 5.817 711 HD1 HIS 96 HD1 HIS 96 -1.718 -2.180 9.321 712 HD2 HIS 96 HD2 HIS 96 -0.903 -3.179 5.371 713 HE1 HIS 96 HE1 HIS 96 -0.999 -4.589 9.372 714 HE2 HIS 96 HE2 HIS 96 -0.596 -5.196 6.960 715 H TYR 97 HN TYR 97 1.488 -0.166 8.183 716 HA TYR 97 HA TYR 97 2.610 0.983 5.731 717 HB2 TYR 97 HB2 TYR 97 3.800 0.338 8.428 718 HB3 TYR 97 HB1 TYR 97 4.798 0.747 7.037 719 HD1 TYR 97 HD2 TYR 97 1.628 2.141 8.465 720 HD2 TYR 97 HD1 TYR 97 5.621 2.889 7.203 721 HE1 TYR 97 HE2 TYR 97 1.331 4.530 8.964 722 HE2 TYR 97 HE1 TYR 97 5.336 5.280 7.700 723 HH TYR 97 HH TYR 97 2.831 6.841 7.859 724 H LEU 98 HN LEU 98 2.367 -0.656 4.243 725 HA LEU 98 HA LEU 98 3.696 -3.209 4.879 726 HB2 LEU 98 HB2 LEU 98 2.272 -4.279 3.277 727 HB3 LEU 98 HB1 LEU 98 1.276 -3.365 4.394 728 HG LEU 98 HG LEU 98 1.987 -1.842 2.004 729 HD11 LEU 98 HD11 LEU 98 0.505 -3.060 0.489 730 HD12 LEU 98 HD12 LEU 98 0.323 -4.336 1.693 731 HD13 LEU 98 HD13 LEU 98 1.898 -4.035 0.958 732 HD21 LEU 98 HD21 LEU 98 0.326 -0.957 3.398 733 HD22 LEU 98 HD22 LEU 98 -0.507 -2.505 3.536 734 HD23 LEU 98 HD23 LEU 98 -0.554 -1.610 2.017 735 H THR 99 HN THR 99 5.210 -4.043 3.509 736 HA THR 99 HA THR 99 6.073 -2.285 1.309 737 HB THR 99 HB THR 99 7.855 -4.279 2.684 738 HG1 THR 99 HG1 THR 99 7.018 -2.855 4.274 739 HG21 THR 99 HG21 THR 99 9.600 -3.250 1.696 740 HG22 THR 99 HG22 THR 99 8.827 -1.665 1.724 741 HG23 THR 99 HG23 THR 99 8.369 -2.849 0.500 742 H VAL 100 HN VAL 100 6.276 -3.132 -0.705 743 HA VAL 100 HA VAL 100 6.077 -6.047 -0.996 744 HB VAL 100 HB VAL 100 4.377 -5.962 -2.624 745 HG11 VAL 100 HG11 VAL 100 3.747 -5.505 -0.175 746 HG12 VAL 100 HG12 VAL 100 2.529 -5.217 -1.417 747 HG13 VAL 100 HG13 VAL 100 3.412 -3.861 -0.717 748 HG21 VAL 100 HG21 VAL 100 5.260 -3.209 -2.972 749 HG22 VAL 100 HG22 VAL 100 3.504 -3.372 -2.966 750 HG23 VAL 100 HG23 VAL 100 4.472 -4.300 -4.112 751 H GLU 101 HN GLU 101 6.682 -6.819 -3.159 752 HA GLU 101 HA GLU 101 8.973 -5.322 -4.145 753 HB2 GLU 101 HB2 GLU 101 8.034 -8.136 -4.304 754 HB3 GLU 101 HB1 GLU 101 8.999 -7.544 -5.650 755 HG2 GLU 101 HG2 GLU 101 10.825 -7.026 -4.200 756 HG3 GLU 101 HG1 GLU 101 9.853 -7.375 -2.772 757 H VAL 102 HN VAL 102 9.081 -4.323 -6.080 758 HA VAL 102 HA VAL 102 6.766 -4.606 -7.883 759 HB VAL 102 HB VAL 102 8.334 -2.059 -7.514 760 HG11 VAL 102 HG11 VAL 102 7.258 -2.070 -9.610 761 HG12 VAL 102 HG12 VAL 102 6.224 -1.112 -8.549 762 HG13 VAL 102 HG13 VAL 102 5.787 -2.775 -8.939 763 HG21 VAL 102 HG21 VAL 102 6.078 -3.164 -5.955 764 HG22 VAL 102 HG22 VAL 102 5.967 -1.464 -6.411 765 HG23 VAL 102 HG23 VAL 102 7.347 -2.038 -5.474 766 H ASN 103 HN ASN 103 7.163 -4.258 -10.127 767 HA ASN 103 HA ASN 103 9.984 -4.456 -10.931 768 HB2 ASN 103 HB2 ASN 103 8.798 -6.693 -10.954 769 HB3 ASN 103 HB1 ASN 103 7.762 -6.045 -12.222 770 HD21 ASN 103 HD21 ASN 103 10.573 -7.694 -11.564 771 HD22 ASN 103 HD22 ASN 103 11.331 -7.563 -13.111 772 H ASP 104 HN ASP 104 10.516 -3.517 -12.907 773 HA ASP 104 HA ASP 104 8.404 -2.214 -14.439 774 HB2 ASP 104 HB2 ASP 104 9.461 -0.709 -12.539 775 HB3 ASP 104 HB1 ASP 104 10.762 -0.527 -13.712 776 H ALA 105 HN ALA 105 8.774 -3.091 -16.377 777 HA ALA 105 HA ALA 105 9.813 -3.724 -18.301 778 HB1 ALA 105 HB1 ALA 105 11.894 -1.652 -17.652 779 HB2 ALA 105 HB2 ALA 105 10.283 -1.240 -18.241 780 HB3 ALA 105 HB3 ALA 105 11.365 -2.211 -19.239 781 H GLY 106 HN GLY 106 10.574 -5.054 -15.796 782 HA2 GLY 106 HA2 GLY 106 11.955 -7.033 -15.806 783 HA3 GLY 106 HA1 GLY 106 13.156 -6.133 -16.719 784 H LYS 107 HN LYS 107 12.802 -3.764 -14.946 785 HA LYS 107 HA LYS 107 14.832 -4.419 -13.068 786 HB2 LYS 107 HB2 LYS 107 13.222 -1.993 -13.713 787 HB3 LYS 107 HB1 LYS 107 14.057 -2.044 -12.167 788 HG2 LYS 107 HG2 LYS 107 16.178 -2.372 -13.288 789 HG3 LYS 107 HG1 LYS 107 15.365 -2.415 -14.854 790 HD2 LYS 107 HD2 LYS 107 16.107 -0.228 -14.761 791 HD3 LYS 107 HD1 LYS 107 14.460 -0.079 -14.144 792 HE2 LYS 107 HE2 LYS 107 15.180 0.162 -11.939 793 HE3 LYS 107 HE1 LYS 107 16.769 -0.517 -12.286 794 HZ1 LYS 107 HZ1 LYS 107 17.342 1.648 -12.256 795 HZ2 LYS 107 HZ2 LYS 107 15.792 2.197 -12.652 796 HZ3 LYS 107 HZ3 LYS 107 16.814 1.609 -13.864 797 H LYS 108 HN LYS 108 14.447 -5.666 -11.359 798 HA LYS 108 HA LYS 108 11.872 -5.459 -9.975 799 HB2 LYS 108 HB2 LYS 108 12.590 -7.704 -10.643 800 HB3 LYS 108 HB1 LYS 108 14.078 -7.513 -9.727 801 HG2 LYS 108 HG2 LYS 108 12.939 -8.622 -8.146 802 HG3 LYS 108 HG1 LYS 108 12.264 -7.029 -7.794 803 HD2 LYS 108 HD2 LYS 108 10.436 -7.593 -9.459 804 HD3 LYS 108 HD1 LYS 108 11.045 -9.249 -9.421 805 HE2 LYS 108 HE2 LYS 108 10.569 -8.011 -6.793 806 HE3 LYS 108 HE1 LYS 108 9.128 -8.290 -7.769 807 HZ1 LYS 108 HZ1 LYS 108 9.427 -10.549 -7.730 808 HZ2 LYS 108 HZ2 LYS 108 10.011 -10.136 -6.197 809 HZ3 LYS 108 HZ3 LYS 108 11.095 -10.452 -7.457 810 H LYS 109 HN LYS 109 11.686 -4.869 -7.854 811 HA LYS 109 HA LYS 109 13.963 -4.555 -6.143 812 HB2 LYS 109 HB2 LYS 109 12.799 -2.209 -7.557 813 HB3 LYS 109 HB1 LYS 109 13.243 -2.003 -5.868 814 HG2 LYS 109 HG2 LYS 109 15.493 -3.112 -6.688 815 HG3 LYS 109 HG1 LYS 109 14.961 -2.466 -8.242 816 HD2 LYS 109 HD2 LYS 109 14.655 -0.247 -7.081 817 HD3 LYS 109 HD1 LYS 109 15.479 -0.953 -5.689 818 HE2 LYS 109 HE2 LYS 109 17.502 -0.906 -6.694 819 HE3 LYS 109 HE1 LYS 109 16.837 -1.275 -8.285 820 HZ1 LYS 109 HZ1 LYS 109 17.516 0.883 -8.550 821 HZ2 LYS 109 HZ2 LYS 109 17.145 1.330 -6.962 822 HZ3 LYS 109 HZ3 LYS 109 15.905 1.126 -8.094 823 H LEU 110 HN LEU 110 13.256 -3.333 -4.071 824 HA LEU 110 HA LEU 110 10.518 -4.199 -3.412 825 HB2 LEU 110 HB2 LEU 110 12.056 -5.531 -2.186 826 HB3 LEU 110 HB1 LEU 110 13.035 -4.141 -1.762 827 HG LEU 110 HG LEU 110 11.379 -3.352 -0.213 828 HD11 LEU 110 HD11 LEU 110 9.319 -4.776 0.180 829 HD12 LEU 110 HD12 LEU 110 9.662 -5.523 -1.380 830 HD13 LEU 110 HD13 LEU 110 9.333 -3.793 -1.284 831 HD21 LEU 110 HD21 LEU 110 11.770 -4.871 1.431 832 HD22 LEU 110 HD22 LEU 110 12.900 -5.488 0.225 833 HD23 LEU 110 HD23 LEU 110 11.320 -6.247 0.423 834 H TYR 111 HN TYR 111 9.137 -2.597 -3.038 835 HA TYR 111 HA TYR 111 10.198 -0.055 -1.989 836 HB2 TYR 111 HB2 TYR 111 7.766 -0.331 -3.758 837 HB3 TYR 111 HB1 TYR 111 8.580 1.153 -3.279 838 HD1 TYR 111 HD1 TYR 111 11.438 0.059 -3.744 839 HD2 TYR 111 HD2 TYR 111 7.903 0.029 -6.114 840 HE1 TYR 111 HE1 TYR 111 12.810 -0.037 -5.781 841 HE2 TYR 111 HE2 TYR 111 9.268 -0.069 -8.157 842 HH TYR 111 HH TYR 111 11.890 0.748 -8.660 843 H GLU 112 HN GLU 112 9.077 0.976 -0.376 844 HA GLU 112 HA GLU 112 7.141 -0.677 1.051 845 HB2 GLU 112 HB2 GLU 112 9.267 0.607 2.010 846 HB3 GLU 112 HB1 GLU 112 8.105 1.919 2.146 847 HG2 GLU 112 HG2 GLU 112 6.803 -0.305 3.197 848 HG3 GLU 112 HG1 GLU 112 8.455 -0.410 3.801 849 H ALA 113 HN ALA 113 5.093 0.013 1.626 850 HA ALA 113 HA ALA 113 4.169 2.576 0.535 851 HB1 ALA 113 HB1 ALA 113 3.686 0.314 -0.837 852 HB2 ALA 113 HB2 ALA 113 2.593 1.698 -0.823 853 HB3 ALA 113 HB3 ALA 113 2.288 0.323 0.239 854 H LYS 114 HN LYS 114 2.913 3.683 1.906 855 HA LYS 114 HA LYS 114 1.748 2.221 4.184 856 HB2 LYS 114 HB2 LYS 114 2.022 4.312 5.502 857 HB3 LYS 114 HB1 LYS 114 3.545 3.591 5.000 858 HG2 LYS 114 HG2 LYS 114 3.247 5.248 2.973 859 HG3 LYS 114 HG1 LYS 114 2.271 6.128 4.148 860 HD2 LYS 114 HD2 LYS 114 4.402 7.018 4.450 861 HD3 LYS 114 HD1 LYS 114 4.285 5.808 5.726 862 HE2 LYS 114 HE2 LYS 114 5.677 4.310 4.597 863 HE3 LYS 114 HE1 LYS 114 5.460 5.133 3.053 864 HZ1 LYS 114 HZ1 LYS 114 6.821 6.913 3.762 865 HZ2 LYS 114 HZ2 LYS 114 7.653 5.497 4.166 866 HZ3 LYS 114 HZ3 LYS 114 6.842 6.371 5.365 867 H VAL 115 HN VAL 115 -0.387 2.179 4.132 868 HA VAL 115 HA VAL 115 -1.814 4.334 2.728 869 HB VAL 115 HB VAL 115 -2.904 1.620 3.474 870 HG11 VAL 115 HG11 VAL 115 -4.641 2.145 1.846 871 HG12 VAL 115 HG12 VAL 115 -3.890 3.710 1.535 872 HG13 VAL 115 HG13 VAL 115 -4.582 3.364 3.119 873 HG21 VAL 115 HG21 VAL 115 -2.653 1.400 0.849 874 HG22 VAL 115 HG22 VAL 115 -1.344 0.957 1.945 875 HG23 VAL 115 HG23 VAL 115 -1.319 2.520 1.126 876 H TRP 116 HN TRP 116 -3.673 5.267 3.647 877 HA TRP 116 HA TRP 116 -3.987 4.837 6.545 878 HB2 TRP 116 HB2 TRP 116 -2.776 6.944 6.067 879 HB3 TRP 116 HB1 TRP 116 -4.139 7.489 5.097 880 HD1 TRP 116 HD1 TRP 116 -4.048 5.982 8.682 881 HE1 TRP 116 HE1 TRP 116 -5.336 7.581 10.235 882 HE3 TRP 116 HE3 TRP 116 -5.217 9.632 5.299 883 HZ2 TRP 116 HZ2 TRP 116 -6.671 10.062 10.048 884 HZ3 TRP 116 HZ3 TRP 116 -6.504 11.584 6.067 885 HH2 TRP 116 HH2 TRP 116 -7.217 11.792 8.393 886 H GLU 117 HN GLU 117 -6.049 4.903 7.368 887 HA GLU 117 HA GLU 117 -8.287 5.629 5.680 888 HB2 GLU 117 HB2 GLU 117 -7.928 3.338 4.970 889 HB3 GLU 117 HB1 GLU 117 -7.881 2.791 6.640 890 HG2 GLU 117 HG2 GLU 117 -10.156 2.990 6.914 891 HG3 GLU 117 HG1 GLU 117 -10.315 4.175 5.619 892 H GLN 118 HN GLN 118 -9.716 6.657 6.917 893 HA GLN 118 HA GLN 118 -9.621 6.242 9.814 894 HB2 GLN 118 HB2 GLN 118 -11.153 8.432 8.447 895 HB3 GLN 118 HB1 GLN 118 -10.483 8.399 10.070 896 HG2 GLN 118 HG2 GLN 118 -8.962 9.760 9.114 897 HG3 GLN 118 HG1 GLN 118 -8.211 8.216 8.713 898 HE21 GLN 118 HE21 GLN 118 -7.716 7.877 6.667 899 HE22 GLN 118 HE22 GLN 118 -8.350 8.742 5.313 900 H VAL 119 HN VAL 119 -11.862 6.692 10.878 901 HA VAL 119 HA VAL 119 -13.854 5.027 9.481 902 HB VAL 119 HB VAL 119 -12.948 3.936 11.486 903 HG11 VAL 119 HG11 VAL 119 -13.306 4.842 13.698 904 HG12 VAL 119 HG12 VAL 119 -14.107 6.260 13.020 905 HG13 VAL 119 HG13 VAL 119 -12.388 5.994 12.728 906 HG21 VAL 119 HG21 VAL 119 -15.490 3.974 10.730 907 HG22 VAL 119 HG22 VAL 119 -15.693 4.695 12.326 908 HG23 VAL 119 HG23 VAL 119 -14.956 3.100 12.166 909 H TRP 120 HN TRP 120 -13.345 7.847 11.530 910 HA TRP 120 HA TRP 120 -16.137 8.587 11.494 911 HB2 TRP 120 HB2 TRP 120 -15.340 10.624 12.691 912 HB3 TRP 120 HB1 TRP 120 -14.859 9.121 13.472 913 HD1 TRP 120 HD1 TRP 120 -13.389 12.028 11.434 914 HE1 TRP 120 HE1 TRP 120 -10.846 12.089 11.825 915 HE3 TRP 120 HE3 TRP 120 -12.881 7.722 14.142 916 HZ2 TRP 120 HZ2 TRP 120 -8.884 10.519 13.111 917 HZ3 TRP 120 HZ3 TRP 120 -10.637 7.072 14.914 918 HH2 TRP 120 HH2 TRP 120 -8.681 8.442 14.407 919 H MET 121 HN MET 121 -13.355 9.149 9.551 920 HA MET 121 HA MET 121 -14.569 11.479 8.262 921 HB2 MET 121 HB2 MET 121 -12.177 11.597 8.867 922 HB3 MET 121 HB1 MET 121 -11.855 10.213 7.833 923 HG2 MET 121 HG2 MET 121 -11.386 11.710 6.261 924 HG3 MET 121 HG1 MET 121 -13.130 11.924 6.126 925 HE1 MET 121 HE1 MET 121 -9.788 13.853 7.808 926 HE2 MET 121 HE2 MET 121 -10.239 15.036 6.580 927 HE3 MET 121 HE3 MET 121 -10.054 13.338 6.142 928 H ASN 122 HN ASN 122 -13.974 8.105 7.804 929 HA ASN 122 HA ASN 122 -14.571 6.638 6.184 930 HB2 ASN 122 HB2 ASN 122 -16.429 8.923 5.709 931 HB3 ASN 122 HB1 ASN 122 -16.332 7.667 4.478 932 HD21 ASN 122 HD21 ASN 122 -16.275 7.670 8.028 933 HD22 ASN 122 HD22 ASN 122 -17.549 6.519 8.218 934 H PHE 123 HN PHE 123 -12.186 7.909 5.781 935 HA PHE 123 HA PHE 123 -12.102 8.091 2.849 936 HB2 PHE 123 HB2 PHE 123 -11.221 10.085 4.825 937 HB3 PHE 123 HB1 PHE 123 -10.022 9.708 3.592 938 HD1 PHE 123 HD2 PHE 123 -11.637 9.257 1.221 939 HD2 PHE 123 HD1 PHE 123 -12.077 12.161 4.300 940 HE1 PHE 123 HE2 PHE 123 -12.789 10.751 -0.358 941 HE2 PHE 123 HE1 PHE 123 -13.230 13.660 2.727 942 HZ PHE 123 HZ PHE 123 -13.587 12.956 0.394 943 H ARG 124 HN ARG 124 -10.401 7.086 1.869 944 HA ARG 124 HA ARG 124 -8.215 6.046 3.490 945 HB2 ARG 124 HB2 ARG 124 -8.521 3.758 2.527 946 HB3 ARG 124 HB1 ARG 124 -9.785 4.240 3.650 947 HG2 ARG 124 HG2 ARG 124 -10.096 4.540 0.682 948 HG3 ARG 124 HG1 ARG 124 -10.506 3.048 1.530 949 HD2 ARG 124 HD2 ARG 124 -11.785 4.863 3.070 950 HD3 ARG 124 HD1 ARG 124 -11.879 5.654 1.497 951 HE ARG 124 HE ARG 124 -12.636 2.960 1.229 952 HH11 ARG 124 HH11 ARG 124 -13.790 5.952 2.605 953 HH12 ARG 124 HH12 ARG 124 -15.461 5.527 2.445 954 HH21 ARG 124 HH21 ARG 124 -14.833 2.398 1.019 955 HH22 ARG 124 HH22 ARG 124 -16.053 3.509 1.546 956 H GLN 125 HN GLN 125 -6.345 6.238 2.437 957 HA GLN 125 HA GLN 125 -6.115 5.796 -0.385 958 HB2 GLN 125 HB2 GLN 125 -5.375 8.035 -1.007 959 HB3 GLN 125 HB1 GLN 125 -7.024 8.077 -0.396 960 HG2 GLN 125 HG2 GLN 125 -4.812 8.581 1.517 961 HG3 GLN 125 HG1 GLN 125 -5.212 9.840 0.348 962 HE21 GLN 125 HE21 GLN 125 -5.486 10.009 3.175 963 HE22 GLN 125 HE22 GLN 125 -7.164 10.233 3.521 964 H LEU 126 HN LEU 126 -3.810 6.474 -1.125 965 HA LEU 126 HA LEU 126 -1.976 5.238 0.710 966 HB2 LEU 126 HB2 LEU 126 -1.766 4.726 -1.625 967 HB3 LEU 126 HB1 LEU 126 -1.628 6.423 -2.041 968 HG LEU 126 HG LEU 126 0.443 5.505 -0.181 969 HD11 LEU 126 HD11 LEU 126 -0.111 3.993 -2.630 970 HD12 LEU 126 HD12 LEU 126 0.838 3.553 -1.210 971 HD13 LEU 126 HD13 LEU 126 1.552 4.558 -2.472 972 HD21 LEU 126 HD21 LEU 126 1.800 6.925 -1.417 973 HD22 LEU 126 HD22 LEU 126 0.217 7.694 -1.534 974 HD23 LEU 126 HD23 LEU 126 0.835 6.737 -2.881 975 H GLN 127 HN GLN 127 -0.322 6.162 1.836 976 HA GLN 127 HA GLN 127 -0.438 9.068 2.116 977 HB2 GLN 127 HB2 GLN 127 0.274 6.816 3.864 978 HB3 GLN 127 HB1 GLN 127 1.339 8.206 4.016 979 HG2 GLN 127 HG2 GLN 127 -0.630 8.119 5.586 980 HG3 GLN 127 HG1 GLN 127 -0.417 9.615 4.680 981 HE21 GLN 127 HE21 GLN 127 -1.741 6.575 3.498 982 HE22 GLN 127 HE22 GLN 127 -3.328 7.179 3.178 983 H GLU 128 HN GLU 128 2.140 6.592 2.029 984 HA GLU 128 HA GLU 128 3.664 8.294 0.220 985 HB2 GLU 128 HB2 GLU 128 5.091 7.202 2.618 986 HB3 GLU 128 HB1 GLU 128 5.564 8.513 1.549 987 HG2 GLU 128 HG2 GLU 128 3.203 8.703 3.392 988 HG3 GLU 128 HG1 GLU 128 4.836 9.151 3.879 989 H PHE 129 HN PHE 129 5.457 7.220 -0.780 990 HA PHE 129 HA PHE 129 5.484 4.298 -0.554 991 HB2 PHE 129 HB2 PHE 129 4.029 5.312 -2.515 992 HB3 PHE 129 HB1 PHE 129 5.599 5.522 -3.283 993 HD1 PHE 129 HD2 PHE 129 6.916 3.609 -3.967 994 HD2 PHE 129 HD1 PHE 129 3.112 3.114 -2.124 995 HE1 PHE 129 HE2 PHE 129 6.867 1.264 -4.707 996 HE2 PHE 129 HE1 PHE 129 3.057 0.766 -2.860 997 HZ PHE 129 HZ PHE 129 4.937 -0.161 -4.155 998 H THR 130 HN THR 130 7.515 3.882 0.045 999 HA THR 130 HA THR 130 9.690 5.523 -1.032 1000 HB THR 130 HB THR 130 11.026 4.759 0.775 1001 HG1 THR 130 HG1 THR 130 10.655 2.956 1.863 1002 HG21 THR 130 HG21 THR 130 9.929 5.516 2.651 1003 HG22 THR 130 HG22 THR 130 8.381 4.837 2.150 1004 HG23 THR 130 HG23 THR 130 9.014 6.275 1.349 1005 H TYR 131 HN TYR 131 11.555 4.589 -1.954 1006 HA TYR 131 HA TYR 131 11.076 1.932 -3.125 1007 HB2 TYR 131 HB2 TYR 131 12.778 2.720 -4.855 1008 HB3 TYR 131 HB1 TYR 131 11.204 3.508 -4.884 1009 HD1 TYR 131 HD2 TYR 131 10.961 5.824 -4.093 1010 HD2 TYR 131 HD1 TYR 131 14.768 3.935 -4.274 1011 HE1 TYR 131 HE2 TYR 131 12.053 8.020 -3.902 1012 HE2 TYR 131 HE1 TYR 131 15.871 6.125 -4.083 1013 HH TYR 131 HH TYR 131 15.258 8.546 -4.602 1014 H LEU 132 HN LEU 132 12.110 0.456 -1.930 1015 HA LEU 132 HA LEU 132 14.681 1.067 -0.725 1016 HB2 LEU 132 HB2 LEU 132 13.460 -1.651 -0.611 1017 HB3 LEU 132 HB1 LEU 132 14.389 -0.796 0.604 1018 HG LEU 132 HG LEU 132 11.504 -0.303 -0.130 1019 HD11 LEU 132 HD11 LEU 132 11.286 -2.038 1.289 1020 HD12 LEU 132 HD12 LEU 132 11.549 -0.798 2.516 1021 HD13 LEU 132 HD13 LEU 132 12.891 -1.811 1.985 1022 HD21 LEU 132 HD21 LEU 132 11.798 1.181 2.034 1023 HD22 LEU 132 HD22 LEU 132 12.128 1.823 0.425 1024 HD23 LEU 132 HD23 LEU 132 13.459 1.285 1.450 1025 H GLY 133 HN GLY 133 16.301 -0.883 -0.818 1026 HA2 GLY 133 HA2 GLY 133 17.328 -0.989 -3.421 1027 HA3 GLY 133 HA1 GLY 133 17.829 -2.025 -2.093 1028 H ASP 134 HN ASP 134 16.402 -3.914 -1.639 1029 HA ASP 134 HA ASP 134 14.540 -4.851 -3.537 1030 HB2 ASP 134 HB2 ASP 134 16.684 -4.981 -4.877 1031 HB3 ASP 134 HB1 ASP 134 17.230 -6.210 -3.740 1032 H ALA 135 HN ALA 135 13.837 -7.056 -3.100 1033 HA ALA 135 HA ALA 135 14.376 -7.792 -0.308 1034 HB1 ALA 135 HB1 ALA 135 12.083 -8.829 -1.940 1035 HB2 ALA 135 HB2 ALA 135 12.018 -7.248 -1.161 1036 HB3 ALA 135 HB3 ALA 135 12.230 -8.702 -0.187 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 8.779 8.727 16.202 2 H2 MET 1 HT2 MET 1 7.801 7.345 15.915 3 H3 MET 1 HT3 MET 1 8.782 7.981 14.658 4 HA MET 1 HA MET 1 9.884 6.984 17.186 5 HB2 MET 1 HB2 MET 1 8.430 5.422 15.529 6 HB3 MET 1 HB1 MET 1 9.996 5.320 14.736 7 HG2 MET 1 HG2 MET 1 10.286 3.596 16.139 8 HG3 MET 1 HG1 MET 1 10.744 4.867 17.270 9 HE1 MET 1 HE1 MET 1 9.164 1.654 17.989 10 HE2 MET 1 HE2 MET 1 8.710 2.071 16.337 11 HE3 MET 1 HE3 MET 1 7.465 1.880 17.571 12 H ALA 2 HN ALA 2 12.146 6.185 16.723 13 HA ALA 2 HA ALA 2 13.703 8.256 15.670 14 HB1 ALA 2 HB1 ALA 2 14.880 7.020 17.188 15 HB2 ALA 2 HB2 ALA 2 15.506 6.328 15.691 16 HB3 ALA 2 HB3 ALA 2 14.248 5.484 16.595 17 H ASP 3 HN ASP 3 12.411 5.366 14.194 18 HA ASP 3 HA ASP 3 14.033 5.218 11.924 19 HB2 ASP 3 HB2 ASP 3 11.154 4.430 12.372 20 HB3 ASP 3 HB1 ASP 3 12.017 4.086 10.876 21 H GLU 4 HN GLU 4 11.561 7.464 12.770 22 HA GLU 4 HA GLU 4 10.740 9.317 11.740 23 HB2 GLU 4 HB2 GLU 4 13.334 9.370 11.144 24 HB3 GLU 4 HB1 GLU 4 12.715 9.130 9.516 25 HG2 GLU 4 HG2 GLU 4 11.474 11.263 11.155 26 HG3 GLU 4 HG1 GLU 4 13.108 11.535 10.550 27 H GLN 5 HN GLN 5 8.778 8.556 11.067 28 HA GLN 5 HA GLN 5 8.224 8.494 8.329 29 HB2 GLN 5 HB2 GLN 5 9.100 5.968 9.410 30 HB3 GLN 5 HB1 GLN 5 7.434 5.843 8.861 31 HG2 GLN 5 HG2 GLN 5 9.819 6.707 7.246 32 HG3 GLN 5 HG1 GLN 5 8.895 5.215 7.076 33 HE21 GLN 5 HE21 GLN 5 9.459 7.347 5.141 34 HE22 GLN 5 HE22 GLN 5 7.918 7.896 4.584 35 HA PRO 6 HA PRO 6 4.238 7.164 10.680 36 HB2 PRO 6 HB2 PRO 6 4.448 6.478 13.298 37 HB3 PRO 6 HB1 PRO 6 4.613 5.308 11.984 38 HG2 PRO 6 HG2 PRO 6 6.744 6.692 13.566 39 HG3 PRO 6 HG1 PRO 6 6.646 4.993 13.068 40 HD2 PRO 6 HD2 PRO 6 8.175 6.807 11.765 41 HD3 PRO 6 HD1 PRO 6 7.397 5.444 10.936 42 H LYS 7 HN LYS 7 2.784 8.348 12.068 43 HA LYS 7 HA LYS 7 2.027 10.234 13.087 44 HB2 LYS 7 HB2 LYS 7 3.907 9.280 14.748 45 HB3 LYS 7 HB1 LYS 7 4.644 10.827 14.355 46 HG2 LYS 7 HG2 LYS 7 2.233 11.730 14.925 47 HG3 LYS 7 HG1 LYS 7 2.157 10.236 15.862 48 HD2 LYS 7 HD2 LYS 7 3.999 10.857 17.195 49 HD3 LYS 7 HD1 LYS 7 4.464 12.150 16.087 50 HE2 LYS 7 HE2 LYS 7 3.453 13.219 17.930 51 HE3 LYS 7 HE1 LYS 7 2.247 13.238 16.644 52 HZ1 LYS 7 HZ1 LYS 7 2.338 11.315 18.906 53 HZ2 LYS 7 HZ2 LYS 7 1.184 11.320 17.669 54 HZ3 LYS 7 HZ3 LYS 7 1.265 12.615 18.754 55 H LYS 8 HN LYS 8 1.867 11.357 11.107 56 HA LYS 8 HA LYS 8 3.177 13.835 11.025 57 HB2 LYS 8 HB2 LYS 8 4.507 11.657 9.603 58 HB3 LYS 8 HB1 LYS 8 4.138 13.024 8.561 59 HG2 LYS 8 HG2 LYS 8 5.649 14.363 9.554 60 HG3 LYS 8 HG1 LYS 8 5.347 13.694 11.159 61 HD2 LYS 8 HD2 LYS 8 6.664 11.730 10.621 62 HD3 LYS 8 HD1 LYS 8 6.902 12.314 8.972 63 HE2 LYS 8 HE2 LYS 8 8.823 12.687 10.570 64 HE3 LYS 8 HE1 LYS 8 8.252 14.110 9.700 65 HZ1 LYS 8 HZ1 LYS 8 8.646 14.559 12.054 66 HZ2 LYS 8 HZ2 LYS 8 7.496 13.396 12.482 67 HZ3 LYS 8 HZ3 LYS 8 7.020 14.787 11.646 68 HA PRO 9 HA PRO 9 -0.230 15.016 8.513 69 HB2 PRO 9 HB2 PRO 9 1.717 16.218 6.602 70 HB3 PRO 9 HB1 PRO 9 0.312 16.949 7.385 71 HG2 PRO 9 HG2 PRO 9 2.774 17.513 8.223 72 HG3 PRO 9 HG1 PRO 9 1.443 17.309 9.379 73 HD2 PRO 9 HD2 PRO 9 3.676 15.446 8.707 74 HD3 PRO 9 HD1 PRO 9 2.879 15.740 10.266 75 H VAL 10 HN VAL 10 -0.918 15.080 6.079 76 HA VAL 10 HA VAL 10 0.301 12.896 4.562 77 HB VAL 10 HB VAL 10 -1.723 11.707 4.217 78 HG11 VAL 10 HG11 VAL 10 -0.545 11.335 6.382 79 HG12 VAL 10 HG12 VAL 10 -2.258 10.914 6.408 80 HG13 VAL 10 HG13 VAL 10 -1.709 12.420 7.143 81 HG21 VAL 10 HG21 VAL 10 -3.389 13.305 3.938 82 HG22 VAL 10 HG22 VAL 10 -3.037 14.085 5.480 83 HG23 VAL 10 HG23 VAL 10 -3.839 12.515 5.449 84 HA PRO 11 HA PRO 11 -0.557 15.498 1.105 85 HB2 PRO 11 HB2 PRO 11 -0.761 13.716 -0.907 86 HB3 PRO 11 HB1 PRO 11 0.773 14.043 -0.093 87 HG2 PRO 11 HG2 PRO 11 -1.138 11.774 0.307 88 HG3 PRO 11 HG1 PRO 11 0.633 11.743 0.218 89 HD2 PRO 11 HD2 PRO 11 -0.752 11.679 2.568 90 HD3 PRO 11 HD1 PRO 11 0.876 12.366 2.415 91 H ALA 12 HN ALA 12 -2.061 15.218 -1.086 92 HA ALA 12 HA ALA 12 -4.782 14.602 -0.148 93 HB1 ALA 12 HB1 ALA 12 -5.612 16.613 -1.280 94 HB2 ALA 12 HB2 ALA 12 -3.955 17.063 -1.684 95 HB3 ALA 12 HB3 ALA 12 -4.468 17.008 0.003 96 H ALA 13 HN ALA 13 -5.705 13.149 -1.420 97 HA ALA 13 HA ALA 13 -5.875 13.369 -4.218 98 HB1 ALA 13 HB1 ALA 13 -4.176 11.015 -3.523 99 HB2 ALA 13 HB2 ALA 13 -3.424 12.592 -3.764 100 HB3 ALA 13 HB3 ALA 13 -4.361 11.854 -5.063 101 H GLU 14 HN GLU 14 -7.091 11.629 -5.191 102 HA GLU 14 HA GLU 14 -7.993 9.364 -3.805 103 HB2 GLU 14 HB2 GLU 14 -9.101 11.023 -2.358 104 HB3 GLU 14 HB1 GLU 14 -9.928 11.688 -3.761 105 HG2 GLU 14 HG2 GLU 14 -10.281 8.801 -3.328 106 HG3 GLU 14 HG1 GLU 14 -10.990 9.855 -2.105 107 H GLU 15 HN GLU 15 -7.499 8.619 -5.931 108 HA GLU 15 HA GLU 15 -9.739 8.281 -7.585 109 HB2 GLU 15 HB2 GLU 15 -8.884 9.506 -9.607 110 HB3 GLU 15 HB1 GLU 15 -9.472 10.538 -8.311 111 HG2 GLU 15 HG2 GLU 15 -7.566 11.652 -8.665 112 HG3 GLU 15 HG1 GLU 15 -6.860 10.385 -7.663 113 H ALA 16 HN ALA 16 -9.383 6.769 -9.228 114 HA ALA 16 HA ALA 16 -6.724 5.506 -9.149 115 HB1 ALA 16 HB1 ALA 16 -8.068 3.482 -10.026 116 HB2 ALA 16 HB2 ALA 16 -9.478 4.373 -9.454 117 HB3 ALA 16 HB3 ALA 16 -8.204 3.919 -8.323 118 HA PRO 17 HA PRO 17 -6.169 6.211 -13.464 119 HB2 PRO 17 HB2 PRO 17 -4.856 3.984 -14.265 120 HB3 PRO 17 HB1 PRO 17 -4.105 5.215 -13.243 121 HG2 PRO 17 HG2 PRO 17 -5.316 2.589 -12.467 122 HG3 PRO 17 HG1 PRO 17 -3.811 3.338 -11.901 123 HD2 PRO 17 HD2 PRO 17 -6.120 3.408 -10.473 124 HD3 PRO 17 HD1 PRO 17 -4.906 4.701 -10.404 125 H ALA 18 HN ALA 18 -7.270 5.964 -15.335 126 HA ALA 18 HA ALA 18 -9.359 3.937 -15.411 127 HB1 ALA 18 HB1 ALA 18 -10.371 5.856 -16.058 128 HB2 ALA 18 HB2 ALA 18 -9.798 5.343 -17.645 129 HB3 ALA 18 HB3 ALA 18 -8.890 6.543 -16.725 130 H ALA 19 HN ALA 19 -9.815 3.361 -17.940 131 HA ALA 19 HA ALA 19 -9.212 2.004 -19.664 132 HB1 ALA 19 HB1 ALA 19 -6.677 2.370 -20.365 133 HB2 ALA 19 HB2 ALA 19 -6.869 3.795 -19.343 134 HB3 ALA 19 HB3 ALA 19 -7.932 3.554 -20.730 135 H GLU 20 HN GLU 20 -7.303 0.391 -20.343 136 HA GLU 20 HA GLU 20 -6.354 -0.985 -17.926 137 HB2 GLU 20 HB2 GLU 20 -7.749 -2.273 -20.279 138 HB3 GLU 20 HB1 GLU 20 -6.954 -3.155 -18.982 139 HG2 GLU 20 HG2 GLU 20 -8.924 -1.199 -18.066 140 HG3 GLU 20 HG1 GLU 20 -9.592 -2.497 -19.054 141 H ALA 21 HN ALA 21 -4.855 -2.899 -18.684 142 HA ALA 21 HA ALA 21 -3.350 -2.389 -21.084 143 HB1 ALA 21 HB1 ALA 21 -2.074 -0.811 -20.083 144 HB2 ALA 21 HB2 ALA 21 -1.216 -2.226 -19.474 145 HB3 ALA 21 HB3 ALA 21 -2.407 -1.413 -18.459 146 H GLU 22 HN GLU 22 -3.212 -4.421 -21.786 147 HA GLU 22 HA GLU 22 -3.241 -6.716 -20.175 148 HB2 GLU 22 HB2 GLU 22 -2.651 -6.142 -23.035 149 HB3 GLU 22 HB1 GLU 22 -2.144 -7.700 -22.397 150 HG2 GLU 22 HG2 GLU 22 -4.417 -8.202 -21.735 151 HG3 GLU 22 HG1 GLU 22 -4.948 -6.612 -22.279 152 H ALA 23 HN ALA 23 -1.732 -7.180 -18.712 153 HA ALA 23 HA ALA 23 1.065 -7.254 -19.580 154 HB1 ALA 23 HB1 ALA 23 -0.014 -5.743 -17.232 155 HB2 ALA 23 HB2 ALA 23 1.144 -5.226 -18.457 156 HB3 ALA 23 HB3 ALA 23 1.631 -6.378 -17.214 157 H GLU 24 HN GLU 24 2.435 -8.560 -18.135 158 HA GLU 24 HA GLU 24 0.934 -10.513 -16.538 159 HB2 GLU 24 HB2 GLU 24 3.087 -11.253 -18.527 160 HB3 GLU 24 HB1 GLU 24 2.167 -12.360 -17.517 161 HG2 GLU 24 HG2 GLU 24 0.266 -12.160 -18.786 162 HG3 GLU 24 HG1 GLU 24 0.716 -10.571 -19.403 163 H GLU 25 HN GLU 25 1.747 -9.432 -14.693 164 HA GLU 25 HA GLU 25 4.650 -9.633 -14.282 165 HB2 GLU 25 HB2 GLU 25 3.150 -7.460 -13.922 166 HB3 GLU 25 HB1 GLU 25 2.901 -8.198 -12.346 167 HG2 GLU 25 HG2 GLU 25 4.708 -6.782 -12.022 168 HG3 GLU 25 HG1 GLU 25 5.450 -8.368 -12.230 169 H GLU 26 HN GLU 26 1.546 -10.285 -12.683 170 HA GLU 26 HA GLU 26 2.590 -12.689 -11.507 171 HB2 GLU 26 HB2 GLU 26 3.247 -10.640 -10.009 172 HB3 GLU 26 HB1 GLU 26 1.561 -10.704 -9.513 173 HG2 GLU 26 HG2 GLU 26 3.139 -13.217 -9.440 174 HG3 GLU 26 HG1 GLU 26 3.449 -11.995 -8.208 175 H GLU 27 HN GLU 27 0.880 -13.631 -12.653 176 HA GLU 27 HA GLU 27 -1.842 -12.827 -12.019 177 HB2 GLU 27 HB2 GLU 27 -0.603 -14.722 -13.983 178 HB3 GLU 27 HB1 GLU 27 -2.314 -14.853 -13.599 179 HG2 GLU 27 HG2 GLU 27 -2.850 -12.953 -14.692 180 HG3 GLU 27 HG1 GLU 27 -1.327 -12.160 -14.289 181 H GLY 28 HN GLY 28 -3.445 -14.461 -11.373 182 HA2 GLY 28 HA2 GLY 28 -3.483 -16.883 -10.507 183 HA3 GLY 28 HA1 GLY 28 -2.267 -16.289 -9.386 184 H LEU 29 HN LEU 29 -3.460 -13.705 -8.986 185 HA LEU 29 HA LEU 29 -5.589 -14.517 -7.159 186 HB2 LEU 29 HB2 LEU 29 -3.466 -12.916 -6.751 187 HB3 LEU 29 HB1 LEU 29 -4.645 -11.710 -7.231 188 HG LEU 29 HG LEU 29 -4.492 -12.002 -4.780 189 HD11 LEU 29 HD11 LEU 29 -6.792 -11.868 -4.383 190 HD12 LEU 29 HD12 LEU 29 -7.177 -12.955 -5.717 191 HD13 LEU 29 HD13 LEU 29 -6.600 -11.321 -6.049 192 HD21 LEU 29 HD21 LEU 29 -4.235 -14.635 -5.255 193 HD22 LEU 29 HD22 LEU 29 -5.956 -14.561 -4.876 194 HD23 LEU 29 HD23 LEU 29 -4.771 -13.971 -3.711 195 H HIS 30 HN HIS 30 -7.671 -13.945 -7.382 196 HA HIS 30 HA HIS 30 -8.512 -12.757 -9.862 197 HB2 HIS 30 HB2 HIS 30 -9.836 -14.094 -7.562 198 HB3 HIS 30 HB1 HIS 30 -10.816 -12.976 -8.504 199 HD1 HIS 30 HD1 HIS 30 -8.460 -15.874 -9.277 200 HD2 HIS 30 HD2 HIS 30 -12.065 -14.234 -10.534 201 HE1 HIS 30 HE1 HIS 30 -9.294 -17.397 -11.096 202 HE2 HIS 30 HE2 HIS 30 -11.433 -16.337 -11.900 203 H LEU 31 HN LEU 31 -10.613 -11.222 -9.437 204 HA LEU 31 HA LEU 31 -11.291 -9.103 -8.968 205 HB2 LEU 31 HB2 LEU 31 -10.780 -10.245 -6.561 206 HB3 LEU 31 HB1 LEU 31 -9.697 -8.868 -6.497 207 HG LEU 31 HG LEU 31 -11.908 -7.589 -7.280 208 HD11 LEU 31 HD11 LEU 31 -12.990 -10.016 -7.081 209 HD12 LEU 31 HD12 LEU 31 -13.886 -8.541 -6.720 210 HD13 LEU 31 HD13 LEU 31 -13.187 -9.491 -5.409 211 HD21 LEU 31 HD21 LEU 31 -10.388 -7.581 -5.085 212 HD22 LEU 31 HD22 LEU 31 -11.868 -8.248 -4.395 213 HD23 LEU 31 HD23 LEU 31 -11.900 -6.680 -5.203 214 H GLU 32 HN GLU 32 -10.103 -6.925 -7.811 215 HA GLU 32 HA GLU 32 -8.650 -5.227 -8.230 216 HB2 GLU 32 HB2 GLU 32 -6.727 -7.491 -8.799 217 HB3 GLU 32 HB1 GLU 32 -6.272 -5.806 -8.584 218 HG2 GLU 32 HG2 GLU 32 -7.220 -5.904 -6.291 219 HG3 GLU 32 HG1 GLU 32 -7.491 -7.630 -6.526 220 H ASP 33 HN ASP 33 -9.996 -4.697 -10.068 221 HA ASP 33 HA ASP 33 -8.499 -4.913 -12.578 222 HB2 ASP 33 HB2 ASP 33 -10.657 -6.487 -12.215 223 HB3 ASP 33 HB1 ASP 33 -11.452 -5.036 -12.819 224 H ASP 34 HN ASP 34 -11.610 -3.536 -11.506 225 HA ASP 34 HA ASP 34 -11.030 -1.071 -12.904 226 HB2 ASP 34 HB2 ASP 34 -13.290 -0.394 -12.154 227 HB3 ASP 34 HB1 ASP 34 -13.299 -1.949 -12.980 228 H GLN 35 HN GLN 35 -11.040 -2.266 -9.626 229 HA GLN 35 HA GLN 35 -9.482 -0.088 -8.692 230 HB2 GLN 35 HB2 GLN 35 -11.651 1.059 -8.743 231 HB3 GLN 35 HB1 GLN 35 -12.348 -0.202 -7.735 232 HG2 GLN 35 HG2 GLN 35 -11.918 1.543 -6.262 233 HG3 GLN 35 HG1 GLN 35 -10.574 0.429 -6.017 234 HE21 GLN 35 HE21 GLN 35 -8.664 1.345 -5.905 235 HE22 GLN 35 HE22 GLN 35 -8.197 2.835 -6.643 236 H GLU 36 HN GLU 36 -8.567 -0.494 -6.686 237 HA GLU 36 HA GLU 36 -9.115 -3.175 -5.614 238 HB2 GLU 36 HB2 GLU 36 -6.653 -1.483 -5.170 239 HB3 GLU 36 HB1 GLU 36 -6.862 -3.181 -4.765 240 HG2 GLU 36 HG2 GLU 36 -5.574 -3.194 -6.702 241 HG3 GLU 36 HG1 GLU 36 -7.206 -3.561 -7.259 242 HA PRO 37 HA PRO 37 -10.794 -0.443 -2.316 243 HB2 PRO 37 HB2 PRO 37 -12.653 -2.226 -1.459 244 HB3 PRO 37 HB1 PRO 37 -12.925 -1.137 -2.825 245 HG2 PRO 37 HG2 PRO 37 -12.121 -4.021 -2.833 246 HG3 PRO 37 HG1 PRO 37 -13.306 -3.188 -3.855 247 HD2 PRO 37 HD2 PRO 37 -10.805 -3.772 -4.709 248 HD3 PRO 37 HD1 PRO 37 -11.685 -2.329 -5.252 249 H ARG 38 HN ARG 38 -11.064 -0.890 0.047 250 HA ARG 38 HA ARG 38 -10.072 -3.209 1.277 251 HB2 ARG 38 HB2 ARG 38 -7.997 -1.973 0.126 252 HB3 ARG 38 HB1 ARG 38 -8.042 -1.065 1.630 253 HG2 ARG 38 HG2 ARG 38 -8.187 -3.997 1.890 254 HG3 ARG 38 HG1 ARG 38 -6.659 -3.339 1.300 255 HD2 ARG 38 HD2 ARG 38 -6.749 -1.743 3.266 256 HD3 ARG 38 HD1 ARG 38 -8.069 -2.732 3.888 257 HE ARG 38 HE ARG 38 -5.881 -4.388 3.286 258 HH11 ARG 38 HH11 ARG 38 -6.835 -1.932 5.574 259 HH12 ARG 38 HH12 ARG 38 -5.824 -2.543 6.841 260 HH21 ARG 38 HH21 ARG 38 -4.550 -5.192 4.950 261 HH22 ARG 38 HH22 ARG 38 -4.526 -4.393 6.486 262 H GLU 39 HN GLU 39 -10.018 -3.050 3.572 263 HA GLU 39 HA GLU 39 -11.521 -0.739 4.568 264 HB2 GLU 39 HB2 GLU 39 -12.029 -3.372 4.892 265 HB3 GLU 39 HB1 GLU 39 -11.059 -3.074 6.328 266 HG2 GLU 39 HG2 GLU 39 -12.978 -2.468 7.276 267 HG3 GLU 39 HG1 GLU 39 -12.792 -0.968 6.369 268 H HIS 40 HN HIS 40 -10.992 -0.728 7.204 269 HA HIS 40 HA HIS 40 -8.284 0.322 7.270 270 HB2 HIS 40 HB2 HIS 40 -8.921 1.216 9.475 271 HB3 HIS 40 HB1 HIS 40 -10.081 1.671 8.231 272 HD1 HIS 40 HD1 HIS 40 -12.400 0.387 8.278 273 HD2 HIS 40 HD2 HIS 40 -9.951 -0.227 11.578 274 HE1 HIS 40 HE1 HIS 40 -13.888 -0.610 10.043 275 HE2 HIS 40 HE2 HIS 40 -12.365 -1.054 12.000 276 HA PRO 41 HA PRO 41 -6.483 -3.149 9.316 277 HB2 PRO 41 HB2 PRO 41 -4.504 -1.943 10.724 278 HB3 PRO 41 HB1 PRO 41 -4.446 -2.139 8.968 279 HG2 PRO 41 HG2 PRO 41 -5.220 0.262 10.581 280 HG3 PRO 41 HG1 PRO 41 -4.205 0.169 9.130 281 HD2 PRO 41 HD2 PRO 41 -6.804 0.929 9.049 282 HD3 PRO 41 HD1 PRO 41 -6.021 0.058 7.715 283 H ILE 42 HN ILE 42 -5.373 -3.433 11.731 284 HA ILE 42 HA ILE 42 -7.490 -2.659 13.631 285 HB ILE 42 HB ILE 42 -7.608 -5.052 13.087 286 HG12 ILE 42 HG12 ILE 42 -7.569 -5.904 15.384 287 HG13 ILE 42 HG11 ILE 42 -6.575 -4.540 15.886 288 HG21 ILE 42 HG21 ILE 42 -4.911 -4.979 12.902 289 HG22 ILE 42 HG22 ILE 42 -5.856 -6.459 13.065 290 HG23 ILE 42 HG23 ILE 42 -5.114 -5.726 14.487 291 HD11 ILE 42 HD11 ILE 42 -8.962 -3.610 14.595 292 HD12 ILE 42 HD12 ILE 42 -8.367 -3.293 16.224 293 HD13 ILE 42 HD13 ILE 42 -9.355 -4.719 15.908 294 H MET 43 HN MET 43 -6.876 -1.767 15.513 295 HA MET 43 HA MET 43 -5.520 -0.606 16.938 296 HB2 MET 43 HB2 MET 43 -3.998 -1.980 18.193 297 HB3 MET 43 HB1 MET 43 -5.414 -2.940 17.792 298 HG2 MET 43 HG2 MET 43 -4.234 -4.120 16.100 299 HG3 MET 43 HG1 MET 43 -2.855 -3.029 16.219 300 HE1 MET 43 HE1 MET 43 -4.357 -6.318 18.768 301 HE2 MET 43 HE2 MET 43 -5.243 -4.858 18.327 302 HE3 MET 43 HE3 MET 43 -4.365 -4.929 19.855 303 H GLY 44 HN GLY 44 -2.837 -0.566 17.473 304 HA2 GLY 44 HA2 GLY 44 -1.478 -0.072 14.925 305 HA3 GLY 44 HA1 GLY 44 -1.662 1.280 16.032 306 H GLY 45 HN GLY 45 0.839 0.545 15.255 307 HA2 GLY 45 HA2 GLY 45 2.425 0.515 17.372 308 HA3 GLY 45 HA1 GLY 45 1.951 -1.177 17.335 309 H ILE 46 HN ILE 46 4.465 0.609 16.694 310 HA ILE 46 HA ILE 46 5.085 -0.466 14.046 311 HB ILE 46 HB ILE 46 6.804 1.353 15.730 312 HG12 ILE 46 HG12 ILE 46 4.623 2.410 15.321 313 HG13 ILE 46 HG11 ILE 46 5.898 3.212 14.408 314 HG21 ILE 46 HG21 ILE 46 6.974 0.207 13.021 315 HG22 ILE 46 HG22 ILE 46 8.253 0.709 14.127 316 HG23 ILE 46 HG23 ILE 46 7.397 1.913 13.164 317 HD11 ILE 46 HD11 ILE 46 5.025 1.387 12.604 318 HD12 ILE 46 HD12 ILE 46 4.457 3.053 12.710 319 HD13 ILE 46 HD13 ILE 46 3.539 1.757 13.477 320 H TYR 47 HN TYR 47 4.868 -2.380 16.070 321 HA TYR 47 HA TYR 47 7.440 -3.629 15.865 322 HB2 TYR 47 HB2 TYR 47 7.249 -2.002 18.020 323 HB3 TYR 47 HB1 TYR 47 6.600 -3.491 18.699 324 HD1 TYR 47 HD2 TYR 47 8.240 -5.512 17.281 325 HD2 TYR 47 HD1 TYR 47 9.346 -1.792 19.025 326 HE1 TYR 47 HE2 TYR 47 10.524 -6.356 17.617 327 HE2 TYR 47 HE1 TYR 47 11.634 -2.626 19.366 328 HH TYR 47 HH TYR 47 13.124 -4.408 18.295 329 H ASP 48 HN ASP 48 4.673 -4.141 15.114 330 HA ASP 48 HA ASP 48 4.273 -6.676 16.556 331 HB2 ASP 48 HB2 ASP 48 2.514 -4.860 16.946 332 HB3 ASP 48 HB1 ASP 48 2.043 -5.113 15.268 333 H ALA 49 HN ALA 49 3.063 -5.153 13.586 334 HA ALA 49 HA ALA 49 2.860 -5.916 11.451 335 HB1 ALA 49 HB1 ALA 49 4.760 -7.083 10.511 336 HB2 ALA 49 HB2 ALA 49 5.339 -7.496 12.125 337 HB3 ALA 49 HB3 ALA 49 5.317 -5.813 11.600 338 HA PRO 50 HA PRO 50 1.223 -10.064 12.994 339 HB2 PRO 50 HB2 PRO 50 -1.356 -9.431 13.415 340 HB3 PRO 50 HB1 PRO 50 -0.120 -9.194 14.656 341 HG2 PRO 50 HG2 PRO 50 -1.347 -7.196 12.798 342 HG3 PRO 50 HG1 PRO 50 -0.960 -7.033 14.520 343 HD2 PRO 50 HD2 PRO 50 0.615 -6.051 12.505 344 HD3 PRO 50 HD1 PRO 50 1.232 -6.517 14.102 345 H LEU 51 HN LEU 51 -0.535 -7.671 11.058 346 HA LEU 51 HA LEU 51 -1.695 -7.824 9.102 347 HB2 LEU 51 HB2 LEU 51 0.680 -8.290 8.397 348 HB3 LEU 51 HB1 LEU 51 0.285 -9.998 8.435 349 HG LEU 51 HG LEU 51 -1.518 -8.325 6.804 350 HD11 LEU 51 HD11 LEU 51 0.214 -7.207 5.874 351 HD12 LEU 51 HD12 LEU 51 0.367 -8.700 4.948 352 HD13 LEU 51 HD13 LEU 51 1.400 -8.422 6.350 353 HD21 LEU 51 HD21 LEU 51 -2.021 -10.508 6.477 354 HD22 LEU 51 HD22 LEU 51 -0.382 -11.054 6.832 355 HD23 LEU 51 HD23 LEU 51 -0.759 -10.366 5.253 356 H ASN 52 HN ASN 52 -3.460 -8.763 10.441 357 HA ASN 52 HA ASN 52 -3.954 -11.510 10.629 358 HB2 ASN 52 HB2 ASN 52 -5.622 -9.047 10.812 359 HB3 ASN 52 HB1 ASN 52 -6.454 -10.589 10.635 360 HD21 ASN 52 HD21 ASN 52 -6.160 -8.606 12.878 361 HD22 ASN 52 HD22 ASN 52 -5.671 -9.562 14.232 362 H ASN 53 HN ASN 53 -5.252 -9.167 8.274 363 HA ASN 53 HA ASN 53 -6.527 -11.135 6.681 364 HB2 ASN 53 HB2 ASN 53 -5.996 -8.235 6.498 365 HB3 ASN 53 HB1 ASN 53 -6.201 -9.062 4.958 366 HD21 ASN 53 HD21 ASN 53 -7.860 -7.130 6.600 367 HD22 ASN 53 HD22 ASN 53 -9.427 -7.856 6.638 368 H GLU 54 HN GLU 54 -4.653 -12.633 6.615 369 HA GLU 54 HA GLU 54 -2.682 -11.893 4.565 370 HB2 GLU 54 HB2 GLU 54 -1.313 -13.713 5.410 371 HB3 GLU 54 HB1 GLU 54 -1.769 -12.641 6.727 372 HG2 GLU 54 HG2 GLU 54 -3.685 -14.305 7.136 373 HG3 GLU 54 HG1 GLU 54 -2.746 -15.404 6.127 374 H ASN 55 HN ASN 55 -5.569 -12.963 4.315 375 HA ASN 55 HA ASN 55 -5.519 -15.558 3.282 376 HB2 ASN 55 HB2 ASN 55 -7.330 -13.328 2.344 377 HB3 ASN 55 HB1 ASN 55 -7.654 -15.058 2.293 378 HD21 ASN 55 HD21 ASN 55 -8.031 -12.222 4.033 379 HD22 ASN 55 HD22 ASN 55 -8.601 -12.902 5.515 380 H GLY 56 HN GLY 56 -4.641 -12.498 1.846 381 HA2 GLY 56 HA2 GLY 56 -2.936 -12.724 0.048 382 HA3 GLY 56 HA1 GLY 56 -4.001 -13.927 -0.663 383 H PHE 57 HN PHE 57 -6.455 -12.716 -0.460 384 HA PHE 57 HA PHE 57 -6.400 -10.937 -2.658 385 HB2 PHE 57 HB2 PHE 57 -8.558 -11.782 -0.736 386 HB3 PHE 57 HB1 PHE 57 -8.862 -10.585 -1.991 387 HD1 PHE 57 HD2 PHE 57 -7.496 -14.024 -1.558 388 HD2 PHE 57 HD1 PHE 57 -9.591 -11.290 -4.057 389 HE1 PHE 57 HE2 PHE 57 -7.921 -15.831 -3.172 390 HE2 PHE 57 HE1 PHE 57 -10.021 -13.093 -5.676 391 HZ PHE 57 HZ PHE 57 -9.184 -15.367 -5.234 392 H ASP 58 HN ASP 58 -6.590 -10.468 0.815 393 HA ASP 58 HA ASP 58 -7.213 -7.686 0.693 394 HB2 ASP 58 HB2 ASP 58 -6.200 -9.492 2.883 395 HB3 ASP 58 HB1 ASP 58 -6.414 -7.761 3.131 396 H LYS 59 HN LYS 59 -4.217 -9.490 1.363 397 HA LYS 59 HA LYS 59 -2.544 -7.264 1.656 398 HB2 LYS 59 HB2 LYS 59 -0.711 -8.777 1.443 399 HB3 LYS 59 HB1 LYS 59 -1.996 -9.637 2.280 400 HG2 LYS 59 HG2 LYS 59 -2.586 -10.803 0.245 401 HG3 LYS 59 HG1 LYS 59 -1.375 -9.889 -0.655 402 HD2 LYS 59 HD2 LYS 59 -0.388 -11.301 1.736 403 HD3 LYS 59 HD1 LYS 59 -0.942 -12.333 0.416 404 HE2 LYS 59 HE2 LYS 59 0.617 -11.422 -1.092 405 HE3 LYS 59 HE1 LYS 59 0.952 -10.047 -0.040 406 HZ1 LYS 59 HZ1 LYS 59 2.772 -11.451 0.224 407 HZ2 LYS 59 HZ2 LYS 59 1.827 -12.852 0.271 408 HZ3 LYS 59 HZ3 LYS 59 1.820 -11.785 1.583 409 H GLU 60 HN GLU 60 -3.445 -9.134 -1.204 410 HA GLU 60 HA GLU 60 -1.702 -7.765 -2.985 411 HB2 GLU 60 HB2 GLU 60 -4.117 -9.518 -3.385 412 HB3 GLU 60 HB1 GLU 60 -3.295 -8.758 -4.741 413 HG2 GLU 60 HG2 GLU 60 -1.216 -9.906 -3.417 414 HG3 GLU 60 HG1 GLU 60 -2.516 -11.056 -3.110 415 H ASP 61 HN ASP 61 -5.141 -7.425 -2.188 416 HA ASP 61 HA ASP 61 -5.788 -5.447 -4.049 417 HB2 ASP 61 HB2 ASP 61 -6.915 -6.256 -1.394 418 HB3 ASP 61 HB1 ASP 61 -7.515 -4.799 -2.180 419 H LEU 62 HN LEU 62 -4.582 -5.148 -0.726 420 HA LEU 62 HA LEU 62 -4.609 -2.316 -0.672 421 HB2 LEU 62 HB2 LEU 62 -4.584 -3.564 1.384 422 HB3 LEU 62 HB1 LEU 62 -3.073 -4.339 0.951 423 HG LEU 62 HG LEU 62 -1.819 -2.389 1.350 424 HD11 LEU 62 HD11 LEU 62 -4.384 -0.824 1.581 425 HD12 LEU 62 HD12 LEU 62 -3.340 -0.840 0.161 426 HD13 LEU 62 HD13 LEU 62 -2.741 -0.192 1.688 427 HD21 LEU 62 HD21 LEU 62 -3.991 -2.771 3.382 428 HD22 LEU 62 HD22 LEU 62 -2.674 -1.624 3.633 429 HD23 LEU 62 HD23 LEU 62 -2.323 -3.340 3.426 430 H ALA 63 HN ALA 63 -1.935 -4.634 -1.115 431 HA ALA 63 HA ALA 63 0.140 -2.865 -1.505 432 HB1 ALA 63 HB1 ALA 63 0.431 -5.291 -1.338 433 HB2 ALA 63 HB2 ALA 63 1.260 -4.635 -2.750 434 HB3 ALA 63 HB3 ALA 63 -0.273 -5.485 -2.943 435 H ARG 64 HN ARG 64 -1.927 -4.276 -4.048 436 HA ARG 64 HA ARG 64 -0.833 -2.767 -6.162 437 HB2 ARG 64 HB2 ARG 64 -2.428 -4.877 -6.129 438 HB3 ARG 64 HB1 ARG 64 -3.684 -3.652 -6.244 439 HG2 ARG 64 HG2 ARG 64 -1.410 -4.066 -8.172 440 HG3 ARG 64 HG1 ARG 64 -3.107 -4.469 -8.440 441 HD2 ARG 64 HD2 ARG 64 -3.558 -1.982 -7.989 442 HD3 ARG 64 HD1 ARG 64 -1.825 -1.764 -8.230 443 HE ARG 64 HE ARG 64 -3.790 -2.192 -10.245 444 HH11 ARG 64 HH11 ARG 64 -0.457 -2.820 -9.424 445 HH12 ARG 64 HH12 ARG 64 0.057 -2.942 -11.073 446 HH21 ARG 64 HH21 ARG 64 -3.116 -2.353 -12.415 447 HH22 ARG 64 HH22 ARG 64 -1.452 -2.676 -12.771 448 H PHE 65 HN PHE 65 -3.539 -2.196 -3.978 449 HA PHE 65 HA PHE 65 -4.664 0.027 -5.239 450 HB2 PHE 65 HB2 PHE 65 -5.782 -1.129 -3.406 451 HB3 PHE 65 HB1 PHE 65 -4.517 -0.631 -2.288 452 HD1 PHE 65 HD2 PHE 65 -7.054 0.797 -4.611 453 HD2 PHE 65 HD1 PHE 65 -4.811 1.273 -1.026 454 HE1 PHE 65 HE2 PHE 65 -8.323 2.840 -4.093 455 HE2 PHE 65 HE1 PHE 65 -6.077 3.317 -0.501 456 HZ PHE 65 HZ PHE 65 -7.836 4.103 -2.036 457 H ALA 66 HN ALA 66 -2.263 -0.064 -2.604 458 HA ALA 66 HA ALA 66 -1.830 2.705 -2.475 459 HB1 ALA 66 HB1 ALA 66 -0.161 0.344 -1.664 460 HB2 ALA 66 HB2 ALA 66 -1.080 1.450 -0.643 461 HB3 ALA 66 HB3 ALA 66 0.396 2.002 -1.435 462 H VAL 67 HN VAL 67 0.109 0.183 -4.087 463 HA VAL 67 HA VAL 67 2.026 1.794 -5.252 464 HB VAL 67 HB VAL 67 0.804 -0.664 -6.515 465 HG11 VAL 67 HG11 VAL 67 3.015 -0.916 -7.565 466 HG12 VAL 67 HG12 VAL 67 3.510 0.623 -6.860 467 HG13 VAL 67 HG13 VAL 67 2.211 0.577 -8.052 468 HG21 VAL 67 HG21 VAL 67 1.863 -1.972 -5.039 469 HG22 VAL 67 HG22 VAL 67 1.958 -0.529 -4.030 470 HG23 VAL 67 HG23 VAL 67 3.317 -0.975 -5.061 471 H ARG 68 HN ARG 68 -1.052 0.727 -6.695 472 HA ARG 68 HA ARG 68 -0.769 2.254 -9.058 473 HB2 ARG 68 HB2 ARG 68 -2.255 0.339 -8.977 474 HB3 ARG 68 HB1 ARG 68 -3.230 1.105 -7.731 475 HG2 ARG 68 HG2 ARG 68 -4.177 2.610 -9.216 476 HG3 ARG 68 HG1 ARG 68 -2.876 2.420 -10.393 477 HD2 ARG 68 HD2 ARG 68 -4.408 -0.019 -9.776 478 HD3 ARG 68 HD1 ARG 68 -5.303 1.250 -10.610 479 HE ARG 68 HE ARG 68 -2.751 0.667 -11.797 480 HH11 ARG 68 HH11 ARG 68 -6.123 -0.227 -11.683 481 HH12 ARG 68 HH12 ARG 68 -6.117 -0.935 -13.263 482 HH21 ARG 68 HH21 ARG 68 -2.742 -0.264 -13.875 483 HH22 ARG 68 HH22 ARG 68 -4.198 -0.957 -14.507 484 H GLU 69 HN GLU 69 -1.972 2.985 -5.874 485 HA GLU 69 HA GLU 69 -3.475 5.288 -6.505 486 HB2 GLU 69 HB2 GLU 69 -3.679 4.145 -4.352 487 HB3 GLU 69 HB1 GLU 69 -2.021 4.570 -3.953 488 HG2 GLU 69 HG2 GLU 69 -3.666 5.998 -2.829 489 HG3 GLU 69 HG1 GLU 69 -2.588 6.909 -3.886 490 H TYR 70 HN TYR 70 -0.077 4.820 -5.635 491 HA TYR 70 HA TYR 70 0.453 7.666 -5.922 492 HB2 TYR 70 HB2 TYR 70 2.409 7.302 -4.791 493 HB3 TYR 70 HB1 TYR 70 1.503 5.906 -4.222 494 HD1 TYR 70 HD2 TYR 70 4.156 7.023 -6.525 495 HD2 TYR 70 HD1 TYR 70 2.162 3.684 -4.803 496 HE1 TYR 70 HE2 TYR 70 5.926 5.539 -7.370 497 HE2 TYR 70 HE1 TYR 70 3.926 2.189 -5.644 498 HH TYR 70 HH TYR 70 6.628 2.728 -6.317 499 H ASN 71 HN ASN 71 0.552 4.833 -7.832 500 HA ASN 71 HA ASN 71 2.547 5.825 -9.676 501 HB2 ASN 71 HB2 ASN 71 0.922 3.329 -9.438 502 HB3 ASN 71 HB1 ASN 71 1.625 3.737 -11.001 503 HD21 ASN 71 HD21 ASN 71 3.970 4.218 -10.987 504 HD22 ASN 71 HD22 ASN 71 4.978 3.283 -9.942 505 H ASN 72 HN ASN 72 -0.918 5.832 -9.384 506 HA ASN 72 HA ASN 72 -1.370 6.473 -12.158 507 HB2 ASN 72 HB2 ASN 72 -3.648 6.380 -11.684 508 HB3 ASN 72 HB1 ASN 72 -2.973 5.248 -10.518 509 HD21 ASN 72 HD21 ASN 72 -2.931 5.797 -8.342 510 HD22 ASN 72 HD22 ASN 72 -3.877 7.093 -7.702 511 H LYS 73 HN LYS 73 -1.128 8.221 -9.122 512 HA LYS 73 HA LYS 73 -2.177 10.671 -9.804 513 HB2 LYS 73 HB2 LYS 73 -0.321 11.590 -8.236 514 HB3 LYS 73 HB1 LYS 73 -1.546 10.513 -7.583 515 HG2 LYS 73 HG2 LYS 73 -0.052 8.682 -7.553 516 HG3 LYS 73 HG1 LYS 73 1.140 9.551 -8.521 517 HD2 LYS 73 HD2 LYS 73 0.876 11.243 -6.432 518 HD3 LYS 73 HD1 LYS 73 0.563 9.700 -5.634 519 HE2 LYS 73 HE2 LYS 73 2.686 8.955 -5.941 520 HE3 LYS 73 HE1 LYS 73 2.877 9.804 -7.474 521 HZ1 LYS 73 HZ1 LYS 73 2.878 11.138 -4.822 522 HZ2 LYS 73 HZ2 LYS 73 3.234 11.847 -6.315 523 HZ3 LYS 73 HZ3 LYS 73 4.278 10.689 -5.660 524 H ASN 74 HN ASN 74 1.072 9.437 -10.507 525 HA ASN 74 HA ASN 74 1.334 10.936 -12.864 526 HB2 ASN 74 HB2 ASN 74 2.831 12.683 -12.288 527 HB3 ASN 74 HB1 ASN 74 1.519 12.777 -11.118 528 HD21 ASN 74 HD21 ASN 74 2.001 11.226 -9.154 529 HD22 ASN 74 HD22 ASN 74 3.562 11.451 -8.449 530 H ASN 75 HN ASN 75 3.004 9.384 -10.179 531 HA ASN 75 HA ASN 75 5.467 8.850 -11.230 532 HB2 ASN 75 HB2 ASN 75 3.990 7.937 -9.053 533 HB3 ASN 75 HB1 ASN 75 4.395 6.472 -9.943 534 HD21 ASN 75 HD21 ASN 75 6.514 5.825 -10.095 535 HD22 ASN 75 HD22 ASN 75 7.778 6.526 -9.149 536 H ALA 76 HN ALA 76 6.279 6.636 -11.975 537 HA ALA 76 HA ALA 76 5.303 6.111 -14.536 538 HB1 ALA 76 HB1 ALA 76 7.041 4.666 -14.740 539 HB2 ALA 76 HB2 ALA 76 6.775 3.945 -13.152 540 HB3 ALA 76 HB3 ALA 76 7.578 5.510 -13.288 541 H LEU 77 HN LEU 77 5.035 3.487 -14.983 542 HA LEU 77 HA LEU 77 2.691 2.692 -13.384 543 HB2 LEU 77 HB2 LEU 77 2.623 3.449 -16.001 544 HB3 LEU 77 HB1 LEU 77 2.827 1.715 -16.157 545 HG LEU 77 HG LEU 77 0.486 2.199 -16.240 546 HD11 LEU 77 HD11 LEU 77 -0.287 1.055 -14.088 547 HD12 LEU 77 HD12 LEU 77 1.424 0.970 -13.670 548 HD13 LEU 77 HD13 LEU 77 0.832 0.174 -15.128 549 HD21 LEU 77 HD21 LEU 77 -0.005 4.203 -15.308 550 HD22 LEU 77 HD22 LEU 77 1.142 3.995 -13.985 551 HD23 LEU 77 HD23 LEU 77 -0.425 3.188 -13.929 552 H LEU 78 HN LEU 78 3.912 1.328 -12.061 553 HA LEU 78 HA LEU 78 5.192 -0.963 -13.389 554 HB2 LEU 78 HB2 LEU 78 6.027 -1.313 -10.921 555 HB3 LEU 78 HB1 LEU 78 6.822 -0.178 -11.994 556 HG LEU 78 HG LEU 78 5.552 1.669 -10.959 557 HD11 LEU 78 HD11 LEU 78 3.598 0.941 -10.070 558 HD12 LEU 78 HD12 LEU 78 4.586 0.870 -8.611 559 HD13 LEU 78 HD13 LEU 78 4.280 -0.597 -9.542 560 HD21 LEU 78 HD21 LEU 78 6.601 1.121 -8.535 561 HD22 LEU 78 HD22 LEU 78 7.549 1.669 -9.918 562 HD23 LEU 78 HD23 LEU 78 7.468 -0.050 -9.530 563 H GLU 79 HN GLU 79 5.134 -2.922 -11.611 564 HA GLU 79 HA GLU 79 2.367 -3.231 -10.695 565 HB2 GLU 79 HB2 GLU 79 3.817 -5.017 -12.631 566 HB3 GLU 79 HB1 GLU 79 2.507 -5.630 -11.632 567 HG2 GLU 79 HG2 GLU 79 0.918 -4.550 -12.808 568 HG3 GLU 79 HG1 GLU 79 1.945 -3.152 -13.122 569 H PHE 80 HN PHE 80 2.182 -4.235 -8.783 570 HA PHE 80 HA PHE 80 4.595 -4.992 -7.397 571 HB2 PHE 80 HB2 PHE 80 3.417 -4.665 -5.482 572 HB3 PHE 80 HB1 PHE 80 2.316 -3.809 -6.555 573 HD1 PHE 80 HD1 PHE 80 0.298 -5.034 -7.438 574 HD2 PHE 80 HD2 PHE 80 2.734 -6.563 -4.302 575 HE1 PHE 80 HE1 PHE 80 -1.520 -6.553 -6.773 576 HE2 PHE 80 HE2 PHE 80 0.922 -8.086 -3.631 577 HZ PHE 80 HZ PHE 80 -1.209 -8.083 -4.868 578 H VAL 81 HN VAL 81 5.023 -7.035 -6.473 579 HA VAL 81 HA VAL 81 3.737 -9.245 -7.919 580 HB VAL 81 HB VAL 81 5.746 -10.572 -7.170 581 HG11 VAL 81 HG11 VAL 81 7.197 -9.686 -8.893 582 HG12 VAL 81 HG12 VAL 81 6.330 -8.151 -8.870 583 HG13 VAL 81 HG13 VAL 81 5.519 -9.614 -9.428 584 HG21 VAL 81 HG21 VAL 81 6.954 -7.887 -6.550 585 HG22 VAL 81 HG22 VAL 81 7.663 -9.483 -6.307 586 HG23 VAL 81 HG23 VAL 81 6.308 -8.959 -5.308 587 H ARG 82 HN ARG 82 4.618 -8.105 -4.710 588 HA ARG 82 HA ARG 82 2.506 -9.293 -3.382 589 HB2 ARG 82 HB2 ARG 82 3.663 -11.137 -2.164 590 HB3 ARG 82 HB1 ARG 82 3.406 -11.456 -3.875 591 HG2 ARG 82 HG2 ARG 82 5.790 -10.495 -4.144 592 HG3 ARG 82 HG1 ARG 82 5.933 -10.851 -2.424 593 HD2 ARG 82 HD2 ARG 82 5.951 -13.089 -2.752 594 HD3 ARG 82 HD1 ARG 82 4.809 -13.005 -4.092 595 HE ARG 82 HE ARG 82 7.310 -11.916 -4.848 596 HH11 ARG 82 HH11 ARG 82 5.722 -14.962 -4.228 597 HH12 ARG 82 HH12 ARG 82 6.756 -15.859 -5.289 598 HH21 ARG 82 HH21 ARG 82 8.670 -13.095 -6.245 599 HH22 ARG 82 HH22 ARG 82 8.429 -14.799 -6.434 600 H VAL 83 HN VAL 83 2.777 -9.266 -0.979 601 HA VAL 83 HA VAL 83 4.416 -6.979 -0.255 602 HB VAL 83 HB VAL 83 3.143 -6.837 1.752 603 HG11 VAL 83 HG11 VAL 83 1.449 -5.953 0.629 604 HG12 VAL 83 HG12 VAL 83 0.778 -7.556 0.327 605 HG13 VAL 83 HG13 VAL 83 1.940 -6.858 -0.801 606 HG21 VAL 83 HG21 VAL 83 2.877 -8.889 2.705 607 HG22 VAL 83 HG22 VAL 83 2.491 -9.675 1.173 608 HG23 VAL 83 HG23 VAL 83 1.271 -8.703 1.997 609 H VAL 84 HN VAL 84 6.046 -6.985 1.239 610 HA VAL 84 HA VAL 84 6.946 -9.633 2.168 611 HB VAL 84 HB VAL 84 8.470 -8.671 0.515 612 HG11 VAL 84 HG11 VAL 84 7.864 -6.250 1.727 613 HG12 VAL 84 HG12 VAL 84 9.058 -6.526 0.459 614 HG13 VAL 84 HG13 VAL 84 9.551 -6.542 2.152 615 HG21 VAL 84 HG21 VAL 84 10.523 -8.893 1.769 616 HG22 VAL 84 HG22 VAL 84 9.343 -10.061 2.363 617 HG23 VAL 84 HG23 VAL 84 9.668 -8.592 3.282 618 H LYS 85 HN LYS 85 5.888 -6.547 3.143 619 HA LYS 85 HA LYS 85 6.472 -7.211 5.916 620 HB2 LYS 85 HB2 LYS 85 7.104 -4.429 4.980 621 HB3 LYS 85 HB1 LYS 85 7.597 -5.232 6.464 622 HG2 LYS 85 HG2 LYS 85 8.987 -6.769 5.022 623 HG3 LYS 85 HG1 LYS 85 8.652 -5.664 3.688 624 HD2 LYS 85 HD2 LYS 85 9.488 -3.856 5.403 625 HD3 LYS 85 HD1 LYS 85 10.291 -5.243 6.142 626 HE2 LYS 85 HE2 LYS 85 11.050 -5.701 3.665 627 HE3 LYS 85 HE1 LYS 85 10.742 -3.974 3.484 628 HZ1 LYS 85 HZ1 LYS 85 12.357 -3.454 5.073 629 HZ2 LYS 85 HZ2 LYS 85 13.073 -4.662 4.132 630 HZ3 LYS 85 HZ3 LYS 85 12.445 -5.040 5.656 631 H ALA 86 HN ALA 86 5.203 -6.007 7.442 632 HA ALA 86 HA ALA 86 3.121 -4.259 6.469 633 HB1 ALA 86 HB1 ALA 86 1.866 -6.110 5.952 634 HB2 ALA 86 HB2 ALA 86 1.385 -5.841 7.628 635 HB3 ALA 86 HB3 ALA 86 2.574 -7.085 7.240 636 H LYS 87 HN LYS 87 2.711 -2.775 7.974 637 HA LYS 87 HA LYS 87 3.061 -3.478 10.803 638 HB2 LYS 87 HB2 LYS 87 4.243 -1.087 9.389 639 HB3 LYS 87 HB1 LYS 87 4.107 -1.203 11.138 640 HG2 LYS 87 HG2 LYS 87 6.225 -1.963 10.899 641 HG3 LYS 87 HG1 LYS 87 5.371 -3.494 10.704 642 HD2 LYS 87 HD2 LYS 87 5.433 -3.182 8.256 643 HD3 LYS 87 HD1 LYS 87 6.355 -1.696 8.489 644 HE2 LYS 87 HE2 LYS 87 7.927 -3.395 7.983 645 HE3 LYS 87 HE1 LYS 87 8.065 -3.079 9.712 646 HZ1 LYS 87 HZ1 LYS 87 6.415 -5.018 9.925 647 HZ2 LYS 87 HZ2 LYS 87 8.034 -5.372 9.589 648 HZ3 LYS 87 HZ3 LYS 87 6.886 -5.411 8.348 649 H GLU 88 HN GLU 88 1.979 -2.002 12.284 650 HA GLU 88 HA GLU 88 -0.274 -0.584 11.020 651 HB2 GLU 88 HB2 GLU 88 -1.660 -1.252 12.949 652 HB3 GLU 88 HB1 GLU 88 -1.079 -2.638 12.036 653 HG2 GLU 88 HG2 GLU 88 0.872 -2.397 13.895 654 HG3 GLU 88 HG1 GLU 88 -0.531 -1.827 14.799 655 H GLN 89 HN GLN 89 -1.045 1.283 12.075 656 HA GLN 89 HA GLN 89 0.305 2.281 14.422 657 HB2 GLN 89 HB2 GLN 89 1.846 2.824 12.508 658 HB3 GLN 89 HB1 GLN 89 0.569 3.834 11.844 659 HG2 GLN 89 HG2 GLN 89 1.787 5.400 12.957 660 HG3 GLN 89 HG1 GLN 89 0.646 4.941 14.220 661 HE21 GLN 89 HE21 GLN 89 1.381 3.301 15.761 662 HE22 GLN 89 HE22 GLN 89 3.049 3.272 16.207 663 H VAL 90 HN VAL 90 -0.741 4.070 15.362 664 HA VAL 90 HA VAL 90 -3.416 4.599 14.246 665 HB VAL 90 HB VAL 90 -2.576 4.937 17.125 666 HG11 VAL 90 HG11 VAL 90 -4.466 6.254 16.766 667 HG12 VAL 90 HG12 VAL 90 -5.127 4.740 17.383 668 HG13 VAL 90 HG13 VAL 90 -5.185 5.087 15.655 669 HG21 VAL 90 HG21 VAL 90 -3.362 2.538 15.627 670 HG22 VAL 90 HG22 VAL 90 -4.263 2.805 17.120 671 HG23 VAL 90 HG23 VAL 90 -2.503 2.691 17.161 672 H VAL 91 HN VAL 91 -3.790 6.567 13.500 673 HA VAL 91 HA VAL 91 -2.795 8.918 14.822 674 HB VAL 91 HB VAL 91 -1.764 9.815 12.663 675 HG11 VAL 91 HG11 VAL 91 -0.210 7.566 13.912 676 HG12 VAL 91 HG12 VAL 91 -0.555 9.069 14.767 677 HG13 VAL 91 HG13 VAL 91 0.393 9.098 13.281 678 HG21 VAL 91 HG21 VAL 91 -0.720 7.999 11.254 679 HG22 VAL 91 HG22 VAL 91 -2.461 8.206 11.070 680 HG23 VAL 91 HG23 VAL 91 -1.829 6.872 12.035 681 H SER 92 HN SER 92 -4.861 9.673 14.981 682 HA SER 92 HA SER 92 -6.806 10.681 14.367 683 HB2 SER 92 HB2 SER 92 -5.303 11.080 11.769 684 HB3 SER 92 HB1 SER 92 -6.833 11.860 12.170 685 HG SER 92 HG SER 92 -4.792 13.048 12.616 686 H GLY 93 HN GLY 93 -6.370 7.790 13.905 687 HA2 GLY 93 HA2 GLY 93 -8.708 6.835 13.119 688 HA3 GLY 93 HA1 GLY 93 -8.010 7.234 11.556 689 H MET 94 HN MET 94 -6.880 5.692 10.571 690 HA MET 94 HA MET 94 -5.391 3.745 12.141 691 HB2 MET 94 HB2 MET 94 -7.637 3.008 10.265 692 HB3 MET 94 HB1 MET 94 -6.398 1.867 10.768 693 HG2 MET 94 HG2 MET 94 -8.087 3.362 12.743 694 HG3 MET 94 HG1 MET 94 -8.599 1.834 12.028 695 HE1 MET 94 HE1 MET 94 -7.880 3.149 14.902 696 HE2 MET 94 HE2 MET 94 -6.128 3.349 14.936 697 HE3 MET 94 HE3 MET 94 -6.885 2.051 15.859 698 H MET 95 HN MET 95 -3.427 3.790 11.290 699 HA MET 95 HA MET 95 -3.160 4.066 8.368 700 HB2 MET 95 HB2 MET 95 -2.172 5.795 10.177 701 HB3 MET 95 HB1 MET 95 -0.833 4.658 10.109 702 HG2 MET 95 HG2 MET 95 -0.598 4.995 7.743 703 HG3 MET 95 HG1 MET 95 -2.037 6.012 7.708 704 HE1 MET 95 HE1 MET 95 -2.235 8.241 9.090 705 HE2 MET 95 HE2 MET 95 -1.691 8.552 7.442 706 HE3 MET 95 HE3 MET 95 -0.943 9.404 8.793 707 H HIS 96 HN HIS 96 -1.835 2.664 7.266 708 HA HIS 96 HA HIS 96 -0.569 0.525 8.843 709 HB2 HIS 96 HB2 HIS 96 -2.708 -0.241 7.827 710 HB3 HIS 96 HB1 HIS 96 -2.054 0.139 6.237 711 HD1 HIS 96 HD1 HIS 96 -2.665 -2.681 8.155 712 HD2 HIS 96 HD2 HIS 96 0.701 -1.347 6.116 713 HE1 HIS 96 HE1 HIS 96 -1.255 -4.728 7.774 714 HE2 HIS 96 HE2 HIS 96 0.734 -3.910 6.462 715 H TYR 97 HN TYR 97 1.496 0.179 8.384 716 HA TYR 97 HA TYR 97 2.596 1.361 5.923 717 HB2 TYR 97 HB2 TYR 97 3.867 0.787 8.603 718 HB3 TYR 97 HB1 TYR 97 4.797 1.231 7.176 719 HD1 TYR 97 HD2 TYR 97 1.676 2.497 8.819 720 HD2 TYR 97 HD1 TYR 97 5.507 3.416 7.214 721 HE1 TYR 97 HE2 TYR 97 1.310 4.874 9.326 722 HE2 TYR 97 HE1 TYR 97 5.153 5.797 7.719 723 HH TYR 97 HH TYR 97 2.743 7.272 8.038 724 H LEU 98 HN LEU 98 2.371 -0.314 4.488 725 HA LEU 98 HA LEU 98 3.691 -2.850 5.205 726 HB2 LEU 98 HB2 LEU 98 2.252 -3.971 3.648 727 HB3 LEU 98 HB1 LEU 98 1.269 -3.022 4.747 728 HG LEU 98 HG LEU 98 1.958 -1.575 2.303 729 HD11 LEU 98 HD11 LEU 98 1.851 -3.642 1.176 730 HD12 LEU 98 HD12 LEU 98 0.274 -2.885 0.950 731 HD13 LEU 98 HD13 LEU 98 0.469 -4.179 2.132 732 HD21 LEU 98 HD21 LEU 98 -0.578 -2.224 3.788 733 HD22 LEU 98 HD22 LEU 98 -0.525 -1.234 2.329 734 HD23 LEU 98 HD23 LEU 98 0.315 -0.703 3.786 735 H THR 99 HN THR 99 5.192 -3.736 3.850 736 HA THR 99 HA THR 99 6.058 -2.043 1.602 737 HB THR 99 HB THR 99 7.860 -4.069 2.859 738 HG1 THR 99 HG1 THR 99 8.499 -2.460 4.369 739 HG21 THR 99 HG21 THR 99 8.816 -1.368 2.244 740 HG22 THR 99 HG22 THR 99 8.274 -2.312 0.856 741 HG23 THR 99 HG23 THR 99 9.541 -2.941 1.909 742 H VAL 100 HN VAL 100 6.224 -2.919 -0.401 743 HA VAL 100 HA VAL 100 5.985 -5.830 -0.662 744 HB VAL 100 HB VAL 100 4.234 -5.759 -2.226 745 HG11 VAL 100 HG11 VAL 100 3.366 -3.600 -0.333 746 HG12 VAL 100 HG12 VAL 100 3.660 -5.250 0.215 747 HG13 VAL 100 HG13 VAL 100 2.423 -4.931 -1.000 748 HG21 VAL 100 HG21 VAL 100 3.370 -3.180 -2.625 749 HG22 VAL 100 HG22 VAL 100 4.321 -4.136 -3.762 750 HG23 VAL 100 HG23 VAL 100 5.126 -3.017 -2.662 751 H GLU 101 HN GLU 101 6.613 -6.649 -2.776 752 HA GLU 101 HA GLU 101 8.825 -5.104 -3.864 753 HB2 GLU 101 HB2 GLU 101 7.933 -7.963 -4.159 754 HB3 GLU 101 HB1 GLU 101 9.162 -7.275 -5.211 755 HG2 GLU 101 HG2 GLU 101 10.676 -6.995 -3.470 756 HG3 GLU 101 HG1 GLU 101 9.423 -7.121 -2.235 757 H VAL 102 HN VAL 102 8.840 -4.146 -5.813 758 HA VAL 102 HA VAL 102 6.487 -4.556 -7.542 759 HB VAL 102 HB VAL 102 8.088 -2.009 -7.312 760 HG11 VAL 102 HG11 VAL 102 5.923 -1.125 -8.385 761 HG12 VAL 102 HG12 VAL 102 5.616 -2.811 -8.803 762 HG13 VAL 102 HG13 VAL 102 7.065 -2.004 -9.402 763 HG21 VAL 102 HG21 VAL 102 7.071 -1.983 -5.265 764 HG22 VAL 102 HG22 VAL 102 5.726 -2.992 -5.797 765 HG23 VAL 102 HG23 VAL 102 5.781 -1.287 -6.246 766 H ASN 103 HN ASN 103 6.784 -4.430 -9.793 767 HA ASN 103 HA ASN 103 9.570 -4.689 -10.708 768 HB2 ASN 103 HB2 ASN 103 8.352 -6.889 -10.602 769 HB3 ASN 103 HB1 ASN 103 7.234 -6.261 -11.809 770 HD21 ASN 103 HD21 ASN 103 9.816 -8.170 -11.431 771 HD22 ASN 103 HD22 ASN 103 10.549 -8.018 -12.988 772 H ASP 104 HN ASP 104 10.041 -3.857 -12.756 773 HA ASP 104 HA ASP 104 7.886 -2.429 -14.140 774 HB2 ASP 104 HB2 ASP 104 9.359 -0.985 -12.512 775 HB3 ASP 104 HB1 ASP 104 10.536 -1.072 -13.820 776 H ALA 105 HN ALA 105 8.007 -4.047 -15.739 777 HA ALA 105 HA ALA 105 8.750 -5.072 -17.635 778 HB1 ALA 105 HB1 ALA 105 9.347 -3.632 -19.300 779 HB2 ALA 105 HB2 ALA 105 10.485 -2.749 -18.282 780 HB3 ALA 105 HB3 ALA 105 8.752 -2.473 -18.111 781 H GLY 106 HN GLY 106 10.328 -5.512 -15.222 782 HA2 GLY 106 HA2 GLY 106 12.152 -7.226 -15.535 783 HA3 GLY 106 HA1 GLY 106 12.985 -5.965 -16.431 784 H LYS 107 HN LYS 107 12.339 -3.788 -14.732 785 HA LYS 107 HA LYS 107 14.385 -4.093 -12.777 786 HB2 LYS 107 HB2 LYS 107 12.504 -1.924 -13.581 787 HB3 LYS 107 HB1 LYS 107 13.284 -1.799 -12.011 788 HG2 LYS 107 HG2 LYS 107 14.936 -2.349 -14.432 789 HG3 LYS 107 HG1 LYS 107 14.370 -0.710 -14.108 790 HD2 LYS 107 HD2 LYS 107 15.691 -2.267 -11.929 791 HD3 LYS 107 HD1 LYS 107 16.681 -1.518 -13.184 792 HE2 LYS 107 HE2 LYS 107 14.624 -0.032 -11.560 793 HE3 LYS 107 HE1 LYS 107 16.331 -0.123 -11.128 794 HZ1 LYS 107 HZ1 LYS 107 15.309 1.814 -12.619 795 HZ2 LYS 107 HZ2 LYS 107 15.739 0.729 -13.844 796 HZ3 LYS 107 HZ3 LYS 107 16.912 1.292 -12.763 797 H LYS 108 HN LYS 108 14.104 -5.305 -11.023 798 HA LYS 108 HA LYS 108 11.501 -5.232 -9.654 799 HB2 LYS 108 HB2 LYS 108 12.207 -7.458 -10.388 800 HB3 LYS 108 HB1 LYS 108 13.716 -7.285 -9.502 801 HG2 LYS 108 HG2 LYS 108 12.535 -8.519 -8.006 802 HG3 LYS 108 HG1 LYS 108 12.071 -6.902 -7.472 803 HD2 LYS 108 HD2 LYS 108 10.038 -7.062 -8.865 804 HD3 LYS 108 HD1 LYS 108 10.495 -8.709 -9.305 805 HE2 LYS 108 HE2 LYS 108 10.462 -8.185 -6.421 806 HE3 LYS 108 HE1 LYS 108 8.891 -8.033 -7.206 807 HZ1 LYS 108 HZ1 LYS 108 9.628 -10.317 -6.326 808 HZ2 LYS 108 HZ2 LYS 108 10.585 -10.389 -7.718 809 HZ3 LYS 108 HZ3 LYS 108 8.906 -10.235 -7.854 810 H LYS 109 HN LYS 109 11.352 -4.692 -7.517 811 HA LYS 109 HA LYS 109 13.627 -4.452 -5.811 812 HB2 LYS 109 HB2 LYS 109 12.611 -2.058 -7.242 813 HB3 LYS 109 HB1 LYS 109 12.981 -1.861 -5.534 814 HG2 LYS 109 HG2 LYS 109 15.213 -3.107 -6.309 815 HG3 LYS 109 HG1 LYS 109 14.782 -2.320 -7.829 816 HD2 LYS 109 HD2 LYS 109 15.113 -0.223 -6.995 817 HD3 LYS 109 HD1 LYS 109 14.661 -0.687 -5.353 818 HE2 LYS 109 HE2 LYS 109 17.034 -0.152 -5.486 819 HE3 LYS 109 HE1 LYS 109 16.792 -1.853 -5.093 820 HZ1 LYS 109 HZ1 LYS 109 17.085 -2.289 -7.536 821 HZ2 LYS 109 HZ2 LYS 109 18.473 -1.775 -6.717 822 HZ3 LYS 109 HZ3 LYS 109 17.615 -0.689 -7.689 823 H LEU 110 HN LEU 110 12.938 -3.129 -3.757 824 HA LEU 110 HA LEU 110 10.173 -3.912 -3.108 825 HB2 LEU 110 HB2 LEU 110 11.638 -5.298 -1.859 826 HB3 LEU 110 HB1 LEU 110 12.678 -3.951 -1.442 827 HG LEU 110 HG LEU 110 11.069 -3.079 0.102 828 HD11 LEU 110 HD11 LEU 110 9.230 -5.050 -1.190 829 HD12 LEU 110 HD12 LEU 110 8.980 -3.337 -0.852 830 HD13 LEU 110 HD13 LEU 110 8.939 -4.511 0.464 831 HD21 LEU 110 HD21 LEU 110 10.887 -4.922 1.694 832 HD22 LEU 110 HD22 LEU 110 12.474 -4.897 0.924 833 HD23 LEU 110 HD23 LEU 110 11.263 -6.073 0.412 834 H TYR 111 HN TYR 111 8.844 -2.289 -2.685 835 HA TYR 111 HA TYR 111 9.984 0.230 -1.667 836 HB2 TYR 111 HB2 TYR 111 7.524 0.048 -3.402 837 HB3 TYR 111 HB1 TYR 111 8.447 1.485 -2.980 838 HD1 TYR 111 HD1 TYR 111 11.220 0.318 -3.489 839 HD2 TYR 111 HD2 TYR 111 7.621 0.211 -5.760 840 HE1 TYR 111 HE1 TYR 111 12.534 0.079 -5.553 841 HE2 TYR 111 HE2 TYR 111 8.927 -0.030 -7.828 842 HH TYR 111 HH TYR 111 11.285 0.558 -8.596 843 H GLU 112 HN GLU 112 8.902 1.287 -0.048 844 HA GLU 112 HA GLU 112 6.928 -0.309 1.387 845 HB2 GLU 112 HB2 GLU 112 9.092 0.996 2.303 846 HB3 GLU 112 HB1 GLU 112 7.892 2.265 2.502 847 HG2 GLU 112 HG2 GLU 112 6.589 0.143 3.572 848 HG3 GLU 112 HG1 GLU 112 8.262 -0.236 3.981 849 H ALA 113 HN ALA 113 4.878 0.359 1.861 850 HA ALA 113 HA ALA 113 4.000 2.949 0.781 851 HB1 ALA 113 HB1 ALA 113 3.484 0.749 -0.605 852 HB2 ALA 113 HB2 ALA 113 2.321 2.070 -0.484 853 HB3 ALA 113 HB3 ALA 113 2.146 0.644 0.539 854 H LYS 114 HN LYS 114 2.775 4.101 2.150 855 HA LYS 114 HA LYS 114 1.629 2.684 4.465 856 HB2 LYS 114 HB2 LYS 114 1.904 4.831 5.721 857 HB3 LYS 114 HB1 LYS 114 3.413 4.052 5.268 858 HG2 LYS 114 HG2 LYS 114 3.119 5.666 3.165 859 HG3 LYS 114 HG1 LYS 114 2.254 6.613 4.375 860 HD2 LYS 114 HD2 LYS 114 4.551 7.303 4.382 861 HD3 LYS 114 HD1 LYS 114 4.242 6.399 5.863 862 HE2 LYS 114 HE2 LYS 114 6.087 5.253 5.315 863 HE3 LYS 114 HE1 LYS 114 5.039 4.422 4.166 864 HZ1 LYS 114 HZ1 LYS 114 6.584 6.867 3.506 865 HZ2 LYS 114 HZ2 LYS 114 5.749 5.861 2.433 866 HZ3 LYS 114 HZ3 LYS 114 7.142 5.297 3.208 867 H VAL 115 HN VAL 115 -0.495 2.641 4.461 868 HA VAL 115 HA VAL 115 -1.964 4.755 3.039 869 HB VAL 115 HB VAL 115 -2.362 2.481 2.205 870 HG11 VAL 115 HG11 VAL 115 -2.704 1.928 5.058 871 HG12 VAL 115 HG12 VAL 115 -2.239 0.854 3.739 872 HG13 VAL 115 HG13 VAL 115 -3.942 1.208 4.028 873 HG21 VAL 115 HG21 VAL 115 -4.152 4.098 2.009 874 HG22 VAL 115 HG22 VAL 115 -4.723 3.703 3.630 875 HG23 VAL 115 HG23 VAL 115 -4.825 2.502 2.343 876 H TRP 116 HN TRP 116 -3.809 5.699 3.986 877 HA TRP 116 HA TRP 116 -4.059 5.312 6.895 878 HB2 TRP 116 HB2 TRP 116 -2.844 7.398 6.415 879 HB3 TRP 116 HB1 TRP 116 -4.180 7.945 5.411 880 HD1 TRP 116 HD1 TRP 116 -4.083 6.557 9.047 881 HE1 TRP 116 HE1 TRP 116 -5.409 8.183 10.538 882 HE3 TRP 116 HE3 TRP 116 -5.359 10.036 5.523 883 HZ2 TRP 116 HZ2 TRP 116 -6.811 10.618 10.257 884 HZ3 TRP 116 HZ3 TRP 116 -6.695 11.982 6.216 885 HH2 TRP 116 HH2 TRP 116 -7.407 12.265 8.535 886 H GLU 117 HN GLU 117 -6.098 5.354 7.746 887 HA GLU 117 HA GLU 117 -8.366 6.092 6.095 888 HB2 GLU 117 HB2 GLU 117 -8.022 3.781 5.424 889 HB3 GLU 117 HB1 GLU 117 -7.972 3.269 7.105 890 HG2 GLU 117 HG2 GLU 117 -10.241 3.486 7.384 891 HG3 GLU 117 HG1 GLU 117 -10.397 4.663 6.081 892 H GLN 118 HN GLN 118 -9.821 7.094 7.328 893 HA GLN 118 HA GLN 118 -9.633 6.791 10.233 894 HB2 GLN 118 HB2 GLN 118 -11.287 8.872 8.842 895 HB3 GLN 118 HB1 GLN 118 -10.548 8.929 10.434 896 HG2 GLN 118 HG2 GLN 118 -9.154 10.326 9.316 897 HG3 GLN 118 HG1 GLN 118 -8.323 8.796 9.038 898 HE21 GLN 118 HE21 GLN 118 -7.672 8.526 7.040 899 HE22 GLN 118 HE22 GLN 118 -8.434 9.147 5.619 900 H VAL 119 HN VAL 119 -11.866 7.228 11.335 901 HA VAL 119 HA VAL 119 -13.837 5.438 10.069 902 HB VAL 119 HB VAL 119 -12.843 4.464 12.093 903 HG11 VAL 119 HG11 VAL 119 -12.289 6.545 13.253 904 HG12 VAL 119 HG12 VAL 119 -13.226 5.462 14.283 905 HG13 VAL 119 HG13 VAL 119 -14.005 6.851 13.525 906 HG21 VAL 119 HG21 VAL 119 -14.841 3.723 13.062 907 HG22 VAL 119 HG22 VAL 119 -15.296 4.179 11.420 908 HG23 VAL 119 HG23 VAL 119 -15.658 5.258 12.767 909 H TRP 120 HN TRP 120 -13.359 8.363 11.972 910 HA TRP 120 HA TRP 120 -16.178 9.015 11.967 911 HB2 TRP 120 HB2 TRP 120 -15.415 11.116 13.082 912 HB3 TRP 120 HB1 TRP 120 -14.900 9.650 13.911 913 HD1 TRP 120 HD1 TRP 120 -13.508 12.539 11.803 914 HE1 TRP 120 HE1 TRP 120 -10.961 12.651 12.154 915 HE3 TRP 120 HE3 TRP 120 -12.880 8.276 14.553 916 HZ2 TRP 120 HZ2 TRP 120 -8.951 11.132 13.427 917 HZ3 TRP 120 HZ3 TRP 120 -10.612 7.676 15.297 918 HH2 TRP 120 HH2 TRP 120 -8.690 9.075 14.744 919 H MET 121 HN MET 121 -13.437 9.591 9.970 920 HA MET 121 HA MET 121 -14.732 11.844 8.624 921 HB2 MET 121 HB2 MET 121 -12.352 12.084 9.176 922 HB3 MET 121 HB1 MET 121 -11.984 10.642 8.242 923 HG2 MET 121 HG2 MET 121 -11.680 11.917 6.467 924 HG3 MET 121 HG1 MET 121 -13.391 12.335 6.511 925 HE1 MET 121 HE1 MET 121 -9.765 13.671 6.848 926 HE2 MET 121 HE2 MET 121 -10.281 15.306 6.433 927 HE3 MET 121 HE3 MET 121 -10.776 13.943 5.429 928 H ASN 122 HN ASN 122 -14.038 8.476 8.262 929 HA ASN 122 HA ASN 122 -14.608 6.942 6.694 930 HB2 ASN 122 HB2 ASN 122 -16.547 9.150 6.182 931 HB3 ASN 122 HB1 ASN 122 -16.424 7.866 4.983 932 HD21 ASN 122 HD21 ASN 122 -16.344 7.988 8.531 933 HD22 ASN 122 HD22 ASN 122 -17.568 6.793 8.768 934 H PHE 123 HN PHE 123 -12.289 8.388 6.232 935 HA PHE 123 HA PHE 123 -12.248 8.476 3.290 936 HB2 PHE 123 HB2 PHE 123 -11.886 10.681 4.886 937 HB3 PHE 123 HB1 PHE 123 -10.230 10.145 4.621 938 HD1 PHE 123 HD2 PHE 123 -9.878 9.376 2.019 939 HD2 PHE 123 HD1 PHE 123 -12.613 12.302 3.455 940 HE1 PHE 123 HE2 PHE 123 -9.884 10.450 -0.194 941 HE2 PHE 123 HE1 PHE 123 -12.626 13.382 1.244 942 HZ PHE 123 HZ PHE 123 -11.259 12.456 -0.584 943 H ARG 124 HN ARG 124 -10.531 7.508 2.291 944 HA ARG 124 HA ARG 124 -8.303 6.530 3.889 945 HB2 ARG 124 HB2 ARG 124 -8.574 4.226 2.942 946 HB3 ARG 124 HB1 ARG 124 -9.817 4.687 4.096 947 HG2 ARG 124 HG2 ARG 124 -10.295 5.088 1.180 948 HG3 ARG 124 HG1 ARG 124 -10.463 3.480 1.888 949 HD2 ARG 124 HD2 ARG 124 -12.351 4.023 2.989 950 HD3 ARG 124 HD1 ARG 124 -11.775 5.642 3.385 951 HE ARG 124 HE ARG 124 -12.928 6.422 1.584 952 HH11 ARG 124 HH11 ARG 124 -12.369 3.009 1.120 953 HH12 ARG 124 HH12 ARG 124 -13.307 2.925 -0.333 954 HH21 ARG 124 HH21 ARG 124 -14.163 6.314 -0.327 955 HH22 ARG 124 HH22 ARG 124 -14.325 4.802 -1.155 956 H GLN 125 HN GLN 125 -6.438 6.652 2.793 957 HA GLN 125 HA GLN 125 -6.289 6.251 -0.042 958 HB2 GLN 125 HB2 GLN 125 -5.538 8.480 -0.658 959 HB3 GLN 125 HB1 GLN 125 -7.156 8.555 0.026 960 HG2 GLN 125 HG2 GLN 125 -5.591 8.943 2.227 961 HG3 GLN 125 HG1 GLN 125 -4.660 9.743 0.961 962 HE21 GLN 125 HE21 GLN 125 -5.585 11.287 2.916 963 HE22 GLN 125 HE22 GLN 125 -6.915 12.251 2.383 964 H LEU 126 HN LEU 126 -3.996 6.901 -0.835 965 HA LEU 126 HA LEU 126 -2.128 5.633 0.959 966 HB2 LEU 126 HB2 LEU 126 -2.014 5.037 -1.357 967 HB3 LEU 126 HB1 LEU 126 -1.882 6.715 -1.844 968 HG LEU 126 HG LEU 126 0.270 5.860 -0.050 969 HD11 LEU 126 HD11 LEU 126 0.548 4.782 -2.799 970 HD12 LEU 126 HD12 LEU 126 -0.398 3.848 -1.640 971 HD13 LEU 126 HD13 LEU 126 1.283 4.245 -1.288 972 HD21 LEU 126 HD21 LEU 126 1.608 7.128 -1.518 973 HD22 LEU 126 HD22 LEU 126 0.075 7.992 -1.408 974 HD23 LEU 126 HD23 LEU 126 0.431 7.004 -2.825 975 H GLN 127 HN GLN 127 -0.562 6.578 2.138 976 HA GLN 127 HA GLN 127 -0.569 9.478 2.298 977 HB2 GLN 127 HB2 GLN 127 0.225 7.254 4.048 978 HB3 GLN 127 HB1 GLN 127 1.299 8.643 4.120 979 HG2 GLN 127 HG2 GLN 127 -0.578 8.598 5.792 980 HG3 GLN 127 HG1 GLN 127 -0.424 10.072 4.837 981 HE21 GLN 127 HE21 GLN 127 -1.795 7.004 3.791 982 HE22 GLN 127 HE22 GLN 127 -3.401 7.593 3.554 983 H GLU 128 HN GLU 128 2.029 7.023 2.200 984 HA GLU 128 HA GLU 128 3.435 8.636 0.224 985 HB2 GLU 128 HB2 GLU 128 5.041 7.723 2.572 986 HB3 GLU 128 HB1 GLU 128 5.358 9.032 1.444 987 HG2 GLU 128 HG2 GLU 128 3.107 9.143 3.425 988 HG3 GLU 128 HG1 GLU 128 4.743 9.665 3.820 989 H PHE 129 HN PHE 129 5.208 7.541 -0.784 990 HA PHE 129 HA PHE 129 5.281 4.632 -0.404 991 HB2 PHE 129 HB2 PHE 129 3.764 5.476 -2.356 992 HB3 PHE 129 HB1 PHE 129 5.289 5.798 -3.173 993 HD1 PHE 129 HD2 PHE 129 6.742 3.980 -3.858 994 HD2 PHE 129 HD1 PHE 129 3.017 3.225 -1.944 995 HE1 PHE 129 HE2 PHE 129 6.851 1.632 -4.582 996 HE2 PHE 129 HE1 PHE 129 3.120 0.874 -2.662 997 HZ PHE 129 HZ PHE 129 5.039 0.074 -3.983 998 H THR 130 HN THR 130 7.328 4.324 0.237 999 HA THR 130 HA THR 130 9.469 5.885 -1.012 1000 HB THR 130 HB THR 130 10.843 5.278 0.836 1001 HG1 THR 130 HG1 THR 130 10.401 3.636 2.184 1002 HG21 THR 130 HG21 THR 130 9.554 6.949 1.716 1003 HG22 THR 130 HG22 THR 130 9.235 5.641 2.855 1004 HG23 THR 130 HG23 THR 130 8.062 6.016 1.593 1005 H TYR 131 HN TYR 131 11.319 4.898 -1.897 1006 HA TYR 131 HA TYR 131 10.837 2.158 -2.849 1007 HB2 TYR 131 HB2 TYR 131 12.486 2.750 -4.646 1008 HB3 TYR 131 HB1 TYR 131 11.010 3.710 -4.671 1009 HD1 TYR 131 HD2 TYR 131 11.054 6.069 -3.943 1010 HD2 TYR 131 HD1 TYR 131 14.616 3.756 -4.206 1011 HE1 TYR 131 HE2 TYR 131 12.391 8.131 -3.878 1012 HE2 TYR 131 HE1 TYR 131 15.962 5.813 -4.141 1013 HH TYR 131 HH TYR 131 15.752 8.129 -3.374 1014 H LEU 132 HN LEU 132 11.891 0.681 -1.700 1015 HA LEU 132 HA LEU 132 14.409 1.346 -0.407 1016 HB2 LEU 132 HB2 LEU 132 13.179 -1.369 -0.267 1017 HB3 LEU 132 HB1 LEU 132 14.098 -0.502 0.947 1018 HG LEU 132 HG LEU 132 11.222 -0.029 0.169 1019 HD11 LEU 132 HD11 LEU 132 11.723 -1.965 1.646 1020 HD12 LEU 132 HD12 LEU 132 10.716 -0.730 2.402 1021 HD13 LEU 132 HD13 LEU 132 12.429 -0.841 2.807 1022 HD21 LEU 132 HD21 LEU 132 11.749 2.119 0.664 1023 HD22 LEU 132 HD22 LEU 132 13.167 1.670 1.612 1024 HD23 LEU 132 HD23 LEU 132 11.555 1.528 2.315 1025 H GLY 133 HN GLY 133 15.742 -1.025 -0.353 1026 HA2 GLY 133 HA2 GLY 133 16.564 -1.292 -3.167 1027 HA3 GLY 133 HA1 GLY 133 17.584 -1.616 -1.773 1028 H ASP 134 HN ASP 134 14.884 -2.802 -3.684 1029 HA ASP 134 HA ASP 134 13.920 -4.856 -3.896 1030 HB2 ASP 134 HB2 ASP 134 15.452 -6.646 -4.383 1031 HB3 ASP 134 HB1 ASP 134 16.136 -5.149 -5.006 1032 H ALA 135 HN ALA 135 14.159 -7.296 -2.919 1033 HA ALA 135 HA ALA 135 14.140 -7.007 0.013 1034 HB1 ALA 135 HB1 ALA 135 11.865 -7.223 -1.384 1035 HB2 ALA 135 HB2 ALA 135 12.069 -7.894 0.234 1036 HB3 ALA 135 HB3 ALA 135 12.243 -8.934 -1.180 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 10.177 4.050 20.003 2 H2 MET 1 HT2 MET 1 9.770 2.514 19.353 3 H3 MET 1 HT3 MET 1 8.747 3.865 19.077 4 HA MET 1 HA MET 1 11.462 3.411 18.045 5 HB2 MET 1 HB2 MET 1 9.092 2.484 17.127 6 HB3 MET 1 HB1 MET 1 9.130 4.053 16.333 7 HG2 MET 1 HG2 MET 1 10.051 2.393 14.870 8 HG3 MET 1 HG1 MET 1 11.330 3.491 15.385 9 HE1 MET 1 HE1 MET 1 10.767 0.334 14.295 10 HE2 MET 1 HE2 MET 1 9.985 -0.326 15.731 11 HE3 MET 1 HE3 MET 1 11.611 -0.851 15.291 12 H ALA 2 HN ALA 2 12.010 5.093 16.370 13 HA ALA 2 HA ALA 2 12.137 7.629 17.538 14 HB1 ALA 2 HB1 ALA 2 12.707 8.278 15.045 15 HB2 ALA 2 HB2 ALA 2 12.769 6.526 14.849 16 HB3 ALA 2 HB3 ALA 2 13.819 7.321 16.022 17 H ASP 3 HN ASP 3 9.787 6.211 15.386 18 HA ASP 3 HA ASP 3 7.770 6.927 14.621 19 HB2 ASP 3 HB2 ASP 3 7.987 9.155 16.649 20 HB3 ASP 3 HB1 ASP 3 6.518 8.476 15.955 21 H GLU 4 HN GLU 4 10.249 7.958 13.460 22 HA GLU 4 HA GLU 4 9.879 10.701 12.777 23 HB2 GLU 4 HB2 GLU 4 11.636 8.503 11.722 24 HB3 GLU 4 HB1 GLU 4 11.572 10.071 10.929 25 HG2 GLU 4 HG2 GLU 4 12.468 11.174 12.792 26 HG3 GLU 4 HG1 GLU 4 12.169 9.798 13.854 27 H GLN 5 HN GLN 5 9.333 7.652 11.043 28 HA GLN 5 HA GLN 5 8.215 8.922 8.744 29 HB2 GLN 5 HB2 GLN 5 8.631 6.141 9.677 30 HB3 GLN 5 HB1 GLN 5 7.326 6.386 8.524 31 HG2 GLN 5 HG2 GLN 5 8.903 6.147 6.973 32 HG3 GLN 5 HG1 GLN 5 9.355 7.802 7.382 33 HE21 GLN 5 HE21 GLN 5 11.464 7.163 6.598 34 HE22 GLN 5 HE22 GLN 5 12.550 6.339 7.659 35 HA PRO 6 HA PRO 6 3.982 7.449 10.483 36 HB2 PRO 6 HB2 PRO 6 3.884 6.378 12.967 37 HB3 PRO 6 HB1 PRO 6 4.196 5.406 11.524 38 HG2 PRO 6 HG2 PRO 6 6.132 6.491 13.532 39 HG3 PRO 6 HG1 PRO 6 6.083 4.886 12.779 40 HD2 PRO 6 HD2 PRO 6 7.762 6.853 11.952 41 HD3 PRO 6 HD1 PRO 6 7.108 5.621 10.855 42 H LYS 7 HN LYS 7 2.424 8.292 12.139 43 HA LYS 7 HA LYS 7 1.607 10.006 13.390 44 HB2 LYS 7 HB2 LYS 7 4.291 9.511 14.578 45 HB3 LYS 7 HB1 LYS 7 3.457 10.988 15.041 46 HG2 LYS 7 HG2 LYS 7 2.672 9.617 16.662 47 HG3 LYS 7 HG1 LYS 7 1.456 9.291 15.425 48 HD2 LYS 7 HD2 LYS 7 1.995 7.139 15.828 49 HD3 LYS 7 HD1 LYS 7 3.348 7.483 14.748 50 HE2 LYS 7 HE2 LYS 7 4.865 7.438 16.421 51 HE3 LYS 7 HE1 LYS 7 3.763 8.178 17.581 52 HZ1 LYS 7 HZ1 LYS 7 4.199 5.365 16.967 53 HZ2 LYS 7 HZ2 LYS 7 2.604 5.822 17.296 54 HZ3 LYS 7 HZ3 LYS 7 3.818 6.106 18.440 55 H LYS 8 HN LYS 8 1.459 11.228 11.397 56 HA LYS 8 HA LYS 8 2.492 13.825 11.625 57 HB2 LYS 8 HB2 LYS 8 4.427 12.192 10.639 58 HB3 LYS 8 HB1 LYS 8 3.654 12.713 9.149 59 HG2 LYS 8 HG2 LYS 8 4.380 14.843 9.353 60 HG3 LYS 8 HG1 LYS 8 4.286 14.824 11.115 61 HD2 LYS 8 HD2 LYS 8 6.409 14.091 11.348 62 HD3 LYS 8 HD1 LYS 8 6.309 13.038 9.935 63 HE2 LYS 8 HE2 LYS 8 6.291 15.962 9.453 64 HE3 LYS 8 HE1 LYS 8 7.809 15.247 9.994 65 HZ1 LYS 8 HZ1 LYS 8 6.239 14.376 7.628 66 HZ2 LYS 8 HZ2 LYS 8 7.700 13.699 8.144 67 HZ3 LYS 8 HZ3 LYS 8 7.660 15.294 7.585 68 HA PRO 9 HA PRO 9 -0.976 14.745 9.076 69 HB2 PRO 9 HB2 PRO 9 0.823 16.666 7.673 70 HB3 PRO 9 HB1 PRO 9 -0.764 16.937 8.401 71 HG2 PRO 9 HG2 PRO 9 1.445 17.773 9.625 72 HG3 PRO 9 HG1 PRO 9 0.099 17.083 10.550 73 HD2 PRO 9 HD2 PRO 9 2.722 15.863 9.820 74 HD3 PRO 9 HD1 PRO 9 1.756 15.666 11.296 75 H VAL 10 HN VAL 10 -1.467 15.179 6.632 76 HA VAL 10 HA VAL 10 0.320 13.749 4.838 77 HB VAL 10 HB VAL 10 -1.236 12.104 4.127 78 HG11 VAL 10 HG11 VAL 10 -1.639 10.806 6.168 79 HG12 VAL 10 HG12 VAL 10 -1.297 12.239 7.138 80 HG13 VAL 10 HG13 VAL 10 -0.027 11.519 6.149 81 HG21 VAL 10 HG21 VAL 10 -3.233 13.606 5.795 82 HG22 VAL 10 HG22 VAL 10 -3.505 11.940 5.283 83 HG23 VAL 10 HG23 VAL 10 -3.303 13.211 4.077 84 HA PRO 11 HA PRO 11 -1.283 16.632 1.909 85 HB2 PRO 11 HB2 PRO 11 -0.945 15.320 -0.424 86 HB3 PRO 11 HB1 PRO 11 0.420 15.916 0.528 87 HG2 PRO 11 HG2 PRO 11 -0.709 13.149 0.363 88 HG3 PRO 11 HG1 PRO 11 0.987 13.667 0.375 89 HD2 PRO 11 HD2 PRO 11 -0.301 12.713 2.580 90 HD3 PRO 11 HD1 PRO 11 1.035 13.876 2.662 91 H ALA 12 HN ALA 12 -2.636 16.380 -0.381 92 HA ALA 12 HA ALA 12 -5.085 14.898 0.324 93 HB1 ALA 12 HB1 ALA 12 -5.425 17.276 0.699 94 HB2 ALA 12 HB2 ALA 12 -6.394 16.722 -0.667 95 HB3 ALA 12 HB3 ALA 12 -4.907 17.627 -0.950 96 H ALA 13 HN ALA 13 -5.566 13.387 -1.115 97 HA ALA 13 HA ALA 13 -5.626 13.863 -3.911 98 HB1 ALA 13 HB1 ALA 13 -3.802 12.712 -4.721 99 HB2 ALA 13 HB2 ALA 13 -3.590 11.788 -3.234 100 HB3 ALA 13 HB3 ALA 13 -3.118 13.486 -3.291 101 H GLU 14 HN GLU 14 -6.600 12.162 -5.075 102 HA GLU 14 HA GLU 14 -7.102 9.594 -4.066 103 HB2 GLU 14 HB2 GLU 14 -8.463 10.794 -2.406 104 HB3 GLU 14 HB1 GLU 14 -9.389 11.539 -3.701 105 HG2 GLU 14 HG2 GLU 14 -10.049 9.225 -4.418 106 HG3 GLU 14 HG1 GLU 14 -9.314 8.638 -2.927 107 H GLU 15 HN GLU 15 -6.892 8.761 -6.064 108 HA GLU 15 HA GLU 15 -9.044 8.807 -7.864 109 HB2 GLU 15 HB2 GLU 15 -7.885 11.129 -8.179 110 HB3 GLU 15 HB1 GLU 15 -6.681 10.205 -9.067 111 HG2 GLU 15 HG2 GLU 15 -8.043 9.856 -10.822 112 HG3 GLU 15 HG1 GLU 15 -9.479 9.692 -9.813 113 H ALA 16 HN ALA 16 -8.457 7.713 -9.978 114 HA ALA 16 HA ALA 16 -6.115 5.962 -9.668 115 HB1 ALA 16 HB1 ALA 16 -8.206 4.819 -8.912 116 HB2 ALA 16 HB2 ALA 16 -7.375 4.016 -10.245 117 HB3 ALA 16 HB3 ALA 16 -8.820 4.977 -10.558 118 HA PRO 17 HA PRO 17 -5.346 6.846 -13.920 119 HB2 PRO 17 HB2 PRO 17 -4.102 4.584 -14.739 120 HB3 PRO 17 HB1 PRO 17 -3.339 5.752 -13.654 121 HG2 PRO 17 HG2 PRO 17 -4.692 3.163 -12.999 122 HG3 PRO 17 HG1 PRO 17 -3.178 3.828 -12.358 123 HD2 PRO 17 HD2 PRO 17 -5.530 3.964 -11.011 124 HD3 PRO 17 HD1 PRO 17 -4.268 5.204 -10.867 125 H ALA 18 HN ALA 18 -7.031 6.983 -15.275 126 HA ALA 18 HA ALA 18 -8.675 6.412 -16.740 127 HB1 ALA 18 HB1 ALA 18 -7.412 3.681 -16.827 128 HB2 ALA 18 HB2 ALA 18 -6.765 5.079 -17.687 129 HB3 ALA 18 HB3 ALA 18 -8.375 4.472 -18.075 130 H ALA 19 HN ALA 19 -10.208 4.249 -17.195 131 HA ALA 19 HA ALA 19 -11.662 4.002 -14.693 132 HB1 ALA 19 HB1 ALA 19 -13.034 4.553 -16.527 133 HB2 ALA 19 HB2 ALA 19 -13.363 2.855 -16.186 134 HB3 ALA 19 HB3 ALA 19 -12.323 3.297 -17.539 135 H GLU 20 HN GLU 20 -11.169 1.585 -17.252 136 HA GLU 20 HA GLU 20 -10.671 -0.410 -15.150 137 HB2 GLU 20 HB2 GLU 20 -11.981 -0.511 -17.820 138 HB3 GLU 20 HB1 GLU 20 -11.121 -1.948 -17.283 139 HG2 GLU 20 HG2 GLU 20 -12.644 -2.438 -15.702 140 HG3 GLU 20 HG1 GLU 20 -12.951 -0.744 -15.318 141 H ALA 21 HN ALA 21 -8.829 -1.588 -15.114 142 HA ALA 21 HA ALA 21 -7.107 -2.000 -17.303 143 HB1 ALA 21 HB1 ALA 21 -6.474 0.333 -15.535 144 HB2 ALA 21 HB2 ALA 21 -6.431 0.224 -17.295 145 HB3 ALA 21 HB3 ALA 21 -5.189 -0.575 -16.331 146 H GLU 22 HN GLU 22 -6.335 -3.932 -16.793 147 HA GLU 22 HA GLU 22 -5.700 -4.514 -13.982 148 HB2 GLU 22 HB2 GLU 22 -7.341 -5.916 -15.536 149 HB3 GLU 22 HB1 GLU 22 -5.833 -6.670 -16.036 150 HG2 GLU 22 HG2 GLU 22 -5.349 -7.258 -13.722 151 HG3 GLU 22 HG1 GLU 22 -6.848 -6.485 -13.208 152 H ALA 23 HN ALA 23 -4.435 -4.656 -17.266 153 HA ALA 23 HA ALA 23 -2.324 -4.858 -18.089 154 HB1 ALA 23 HB1 ALA 23 -0.493 -4.281 -16.254 155 HB2 ALA 23 HB2 ALA 23 -1.909 -3.655 -15.410 156 HB3 ALA 23 HB3 ALA 23 -1.491 -3.037 -17.008 157 H GLU 24 HN GLU 24 -2.125 -6.994 -18.550 158 HA GLU 24 HA GLU 24 -1.653 -8.959 -16.503 159 HB2 GLU 24 HB2 GLU 24 -1.484 -10.545 -18.378 160 HB3 GLU 24 HB1 GLU 24 -2.938 -9.561 -18.480 161 HG2 GLU 24 HG2 GLU 24 -1.203 -8.086 -19.953 162 HG3 GLU 24 HG1 GLU 24 -0.634 -9.722 -20.281 163 H GLU 25 HN GLU 25 0.253 -9.313 -15.596 164 HA GLU 25 HA GLU 25 2.648 -9.476 -17.195 165 HB2 GLU 25 HB2 GLU 25 2.146 -7.000 -16.276 166 HB3 GLU 25 HB1 GLU 25 2.968 -7.662 -14.870 167 HG2 GLU 25 HG2 GLU 25 4.865 -8.288 -16.326 168 HG3 GLU 25 HG1 GLU 25 4.046 -7.501 -17.675 169 H GLU 26 HN GLU 26 1.905 -8.937 -13.748 170 HA GLU 26 HA GLU 26 3.728 -10.958 -12.900 171 HB2 GLU 26 HB2 GLU 26 2.628 -10.576 -10.650 172 HB3 GLU 26 HB1 GLU 26 3.361 -9.163 -11.396 173 HG2 GLU 26 HG2 GLU 26 1.407 -8.090 -11.586 174 HG3 GLU 26 HG1 GLU 26 0.532 -9.551 -12.044 175 H GLU 27 HN GLU 27 2.697 -12.529 -11.090 176 HA GLU 27 HA GLU 27 0.281 -13.800 -12.123 177 HB2 GLU 27 HB2 GLU 27 1.478 -16.048 -11.970 178 HB3 GLU 27 HB1 GLU 27 1.873 -15.032 -13.349 179 HG2 GLU 27 HG2 GLU 27 4.000 -14.699 -12.674 180 HG3 GLU 27 HG1 GLU 27 3.577 -14.719 -10.962 181 H GLY 28 HN GLY 28 -1.006 -13.947 -10.412 182 HA2 GLY 28 HA2 GLY 28 -0.136 -15.334 -8.044 183 HA3 GLY 28 HA1 GLY 28 -0.413 -13.620 -7.774 184 H LEU 29 HN LEU 29 -2.474 -12.851 -7.621 185 HA LEU 29 HA LEU 29 -4.590 -14.890 -7.619 186 HB2 LEU 29 HB2 LEU 29 -4.088 -12.424 -6.037 187 HB3 LEU 29 HB1 LEU 29 -5.758 -12.856 -6.351 188 HG LEU 29 HG LEU 29 -4.937 -13.687 -4.174 189 HD11 LEU 29 HD11 LEU 29 -6.688 -14.998 -4.742 190 HD12 LEU 29 HD12 LEU 29 -5.430 -16.229 -4.851 191 HD13 LEU 29 HD13 LEU 29 -6.005 -15.424 -6.311 192 HD21 LEU 29 HD21 LEU 29 -2.614 -14.082 -4.769 193 HD22 LEU 29 HD22 LEU 29 -3.098 -15.371 -5.872 194 HD23 LEU 29 HD23 LEU 29 -3.348 -15.556 -4.136 195 H HIS 30 HN HIS 30 -6.838 -13.901 -8.067 196 HA HIS 30 HA HIS 30 -6.750 -11.876 -10.175 197 HB2 HIS 30 HB2 HIS 30 -7.585 -14.726 -10.506 198 HB3 HIS 30 HB1 HIS 30 -8.455 -13.484 -11.400 199 HD1 HIS 30 HD1 HIS 30 -5.345 -15.436 -11.397 200 HD2 HIS 30 HD2 HIS 30 -6.801 -12.016 -13.254 201 HE1 HIS 30 HE1 HIS 30 -3.788 -15.003 -13.323 202 HE2 HIS 30 HE2 HIS 30 -4.639 -12.880 -14.380 203 H LEU 31 HN LEU 31 -8.865 -10.996 -10.700 204 HA LEU 31 HA LEU 31 -11.217 -11.649 -9.316 205 HB2 LEU 31 HB2 LEU 31 -9.553 -10.622 -7.528 206 HB3 LEU 31 HB1 LEU 31 -10.127 -9.109 -8.203 207 HG LEU 31 HG LEU 31 -12.497 -10.224 -7.761 208 HD11 LEU 31 HD11 LEU 31 -12.512 -11.549 -5.741 209 HD12 LEU 31 HD12 LEU 31 -10.753 -11.468 -5.640 210 HD13 LEU 31 HD13 LEU 31 -11.521 -12.341 -6.966 211 HD21 LEU 31 HD21 LEU 31 -11.141 -8.170 -6.708 212 HD22 LEU 31 HD22 LEU 31 -11.228 -9.215 -5.290 213 HD23 LEU 31 HD23 LEU 31 -12.709 -8.702 -6.099 214 H GLU 32 HN GLU 32 -12.951 -10.121 -9.706 215 HA GLU 32 HA GLU 32 -12.891 -9.026 -12.283 216 HB2 GLU 32 HB2 GLU 32 -14.886 -9.713 -10.696 217 HB3 GLU 32 HB1 GLU 32 -14.842 -8.010 -10.260 218 HG2 GLU 32 HG2 GLU 32 -15.353 -7.327 -12.448 219 HG3 GLU 32 HG1 GLU 32 -15.007 -8.923 -13.112 220 H ASP 33 HN ASP 33 -12.233 -7.620 -9.149 221 HA ASP 33 HA ASP 33 -11.395 -5.604 -8.512 222 HB2 ASP 33 HB2 ASP 33 -10.432 -5.888 -11.318 223 HB3 ASP 33 HB1 ASP 33 -10.270 -4.310 -10.553 224 H ASP 34 HN ASP 34 -11.389 -3.126 -9.290 225 HA ASP 34 HA ASP 34 -13.507 -2.220 -10.904 226 HB2 ASP 34 HB2 ASP 34 -14.723 -3.300 -8.894 227 HB3 ASP 34 HB1 ASP 34 -14.159 -1.902 -7.983 228 H GLN 35 HN GLN 35 -11.560 -1.589 -8.023 229 HA GLN 35 HA GLN 35 -10.384 0.730 -9.142 230 HB2 GLN 35 HB2 GLN 35 -12.848 1.330 -8.252 231 HB3 GLN 35 HB1 GLN 35 -11.952 1.524 -6.752 232 HG2 GLN 35 HG2 GLN 35 -11.968 3.649 -7.690 233 HG3 GLN 35 HG1 GLN 35 -10.374 3.014 -8.092 234 HE21 GLN 35 HE21 GLN 35 -9.775 2.934 -10.162 235 HE22 GLN 35 HE22 GLN 35 -10.799 3.287 -11.508 236 H GLU 36 HN GLU 36 -9.570 -1.695 -7.860 237 HA GLU 36 HA GLU 36 -8.034 -2.451 -6.363 238 HB2 GLU 36 HB2 GLU 36 -7.461 0.497 -6.372 239 HB3 GLU 36 HB1 GLU 36 -6.585 -0.580 -5.293 240 HG2 GLU 36 HG2 GLU 36 -5.162 -0.612 -7.048 241 HG3 GLU 36 HG1 GLU 36 -6.224 -1.930 -7.542 242 HA PRO 37 HA PRO 37 -11.129 -1.881 -2.950 243 HB2 PRO 37 HB2 PRO 37 -9.983 -4.583 -2.425 244 HB3 PRO 37 HB1 PRO 37 -11.666 -4.046 -2.378 245 HG2 PRO 37 HG2 PRO 37 -10.763 -5.492 -4.421 246 HG3 PRO 37 HG1 PRO 37 -11.905 -4.161 -4.683 247 HD2 PRO 37 HD2 PRO 37 -8.970 -4.273 -5.207 248 HD3 PRO 37 HD1 PRO 37 -10.250 -3.444 -6.117 249 H ARG 38 HN ARG 38 -10.700 -2.602 -0.523 250 HA ARG 38 HA ARG 38 -7.904 -2.103 0.197 251 HB2 ARG 38 HB2 ARG 38 -8.540 -0.433 1.851 252 HB3 ARG 38 HB1 ARG 38 -9.059 0.070 0.248 253 HG2 ARG 38 HG2 ARG 38 -10.913 0.576 1.483 254 HG3 ARG 38 HG1 ARG 38 -11.311 -1.059 0.950 255 HD2 ARG 38 HD2 ARG 38 -10.904 -1.978 3.033 256 HD3 ARG 38 HD1 ARG 38 -9.857 -0.648 3.527 257 HE ARG 38 HE ARG 38 -11.696 0.417 4.348 258 HH11 ARG 38 HH11 ARG 38 -12.757 -1.963 2.027 259 HH12 ARG 38 HH12 ARG 38 -14.440 -1.703 2.342 260 HH21 ARG 38 HH21 ARG 38 -13.909 0.761 4.763 261 HH22 ARG 38 HH22 ARG 38 -15.094 -0.156 3.895 262 H GLU 39 HN GLU 39 -7.985 -2.069 2.855 263 HA GLU 39 HA GLU 39 -9.582 -4.368 3.725 264 HB2 GLU 39 HB2 GLU 39 -7.515 -5.223 4.926 265 HB3 GLU 39 HB1 GLU 39 -7.534 -5.421 3.179 266 HG2 GLU 39 HG2 GLU 39 -5.513 -4.507 3.198 267 HG3 GLU 39 HG1 GLU 39 -6.329 -2.975 3.508 268 H HIS 40 HN HIS 40 -8.980 -4.709 6.226 269 HA HIS 40 HA HIS 40 -8.978 -2.056 7.502 270 HB2 HIS 40 HB2 HIS 40 -10.723 -4.373 8.352 271 HB3 HIS 40 HB1 HIS 40 -10.728 -2.743 9.016 272 HD1 HIS 40 HD1 HIS 40 -12.501 -1.279 8.116 273 HD2 HIS 40 HD2 HIS 40 -11.509 -4.313 5.457 274 HE1 HIS 40 HE1 HIS 40 -14.085 -1.020 6.180 275 HE2 HIS 40 HE2 HIS 40 -13.409 -2.813 4.545 276 HA PRO 41 HA PRO 41 -5.704 -4.600 9.488 277 HB2 PRO 41 HB2 PRO 41 -4.085 -2.498 10.057 278 HB3 PRO 41 HB1 PRO 41 -4.093 -3.305 8.485 279 HG2 PRO 41 HG2 PRO 41 -5.438 -0.762 9.315 280 HG3 PRO 41 HG1 PRO 41 -4.546 -1.121 7.825 281 HD2 PRO 41 HD2 PRO 41 -7.251 -1.133 7.941 282 HD3 PRO 41 HD1 PRO 41 -6.337 -2.211 6.866 283 H ILE 42 HN ILE 42 -4.928 -4.627 11.681 284 HA ILE 42 HA ILE 42 -6.843 -3.436 13.530 285 HB ILE 42 HB ILE 42 -6.357 -5.853 13.696 286 HG12 ILE 42 HG12 ILE 42 -6.014 -5.911 16.135 287 HG13 ILE 42 HG11 ILE 42 -5.458 -4.241 16.096 288 HG21 ILE 42 HG21 ILE 42 -3.737 -5.411 14.964 289 HG22 ILE 42 HG22 ILE 42 -3.787 -5.220 13.212 290 HG23 ILE 42 HG23 ILE 42 -4.301 -6.738 13.949 291 HD11 ILE 42 HD11 ILE 42 -8.006 -4.386 14.837 292 HD12 ILE 42 HD12 ILE 42 -7.537 -3.531 16.307 293 HD13 ILE 42 HD13 ILE 42 -8.085 -5.205 16.397 294 H MET 43 HN MET 43 -6.165 -2.361 15.465 295 HA MET 43 HA MET 43 -4.313 -0.326 15.090 296 HB2 MET 43 HB2 MET 43 -4.504 0.059 17.530 297 HB3 MET 43 HB1 MET 43 -6.065 -0.146 16.747 298 HG2 MET 43 HG2 MET 43 -5.527 -2.692 17.487 299 HG3 MET 43 HG1 MET 43 -4.737 -1.790 18.779 300 HE1 MET 43 HE1 MET 43 -7.083 -3.808 18.258 301 HE2 MET 43 HE2 MET 43 -8.724 -3.164 18.327 302 HE3 MET 43 HE3 MET 43 -7.850 -3.515 19.819 303 H GLY 44 HN GLY 44 -2.568 -0.023 17.037 304 HA2 GLY 44 HA2 GLY 44 -0.981 -1.706 18.225 305 HA3 GLY 44 HA1 GLY 44 -0.659 -2.206 16.571 306 H GLY 45 HN GLY 45 1.541 -1.542 17.647 307 HA2 GLY 45 HA2 GLY 45 1.994 1.333 17.163 308 HA3 GLY 45 HA1 GLY 45 2.995 0.319 18.192 309 H ILE 46 HN ILE 46 4.614 1.494 16.741 310 HA ILE 46 HA ILE 46 4.881 0.460 14.060 311 HB ILE 46 HB ILE 46 6.918 2.048 15.619 312 HG12 ILE 46 HG12 ILE 46 4.762 3.231 15.593 313 HG13 ILE 46 HG11 ILE 46 5.952 4.050 14.586 314 HG21 ILE 46 HG21 ILE 46 7.191 2.787 13.044 315 HG22 ILE 46 HG22 ILE 46 6.658 1.119 12.836 316 HG23 ILE 46 HG23 ILE 46 8.100 1.471 13.788 317 HD11 ILE 46 HD11 ILE 46 3.648 3.901 13.629 318 HD12 ILE 46 HD12 ILE 46 3.889 2.159 13.495 319 HD13 ILE 46 HD13 ILE 46 4.929 3.265 12.598 320 H TYR 47 HN TYR 47 4.957 -1.814 14.686 321 HA TYR 47 HA TYR 47 7.558 -2.854 14.638 322 HB2 TYR 47 HB2 TYR 47 7.228 -2.025 17.108 323 HB3 TYR 47 HB1 TYR 47 6.290 -3.505 17.274 324 HD1 TYR 47 HD2 TYR 47 7.384 -5.701 17.016 325 HD2 TYR 47 HD1 TYR 47 9.618 -2.081 16.919 326 HE1 TYR 47 HE2 TYR 47 9.454 -6.976 17.381 327 HE2 TYR 47 HE1 TYR 47 11.695 -3.347 17.283 328 HH TYR 47 HH TYR 47 11.892 -6.692 16.951 329 H ASP 48 HN ASP 48 4.213 -3.420 15.617 330 HA ASP 48 HA ASP 48 4.177 -6.206 15.279 331 HB2 ASP 48 HB2 ASP 48 1.844 -4.347 14.798 332 HB3 ASP 48 HB1 ASP 48 1.785 -6.035 15.298 333 H ALA 49 HN ALA 49 3.546 -7.516 13.565 334 HA ALA 49 HA ALA 49 2.834 -6.437 11.010 335 HB1 ALA 49 HB1 ALA 49 5.347 -6.075 11.200 336 HB2 ALA 49 HB2 ALA 49 4.768 -6.925 9.767 337 HB3 ALA 49 HB3 ALA 49 5.495 -7.829 11.094 338 HA PRO 50 HA PRO 50 1.942 -10.986 11.909 339 HB2 PRO 50 HB2 PRO 50 -0.639 -10.844 12.637 340 HB3 PRO 50 HB1 PRO 50 0.670 -10.606 13.802 341 HG2 PRO 50 HG2 PRO 50 -1.010 -8.565 12.397 342 HG3 PRO 50 HG1 PRO 50 -0.499 -8.617 14.094 343 HD2 PRO 50 HD2 PRO 50 0.730 -7.088 12.186 344 HD3 PRO 50 HD1 PRO 50 1.554 -7.708 13.630 345 H LEU 51 HN LEU 51 0.039 -8.465 10.362 346 HA LEU 51 HA LEU 51 -1.143 -8.386 8.420 347 HB2 LEU 51 HB2 LEU 51 1.237 -9.518 7.818 348 HB3 LEU 51 HB1 LEU 51 0.151 -10.792 7.295 349 HG LEU 51 HG LEU 51 -0.157 -7.943 6.371 350 HD11 LEU 51 HD11 LEU 51 1.052 -8.536 4.361 351 HD12 LEU 51 HD12 LEU 51 1.355 -10.155 4.992 352 HD13 LEU 51 HD13 LEU 51 2.086 -8.753 5.774 353 HD21 LEU 51 HD21 LEU 51 -0.974 -10.332 4.810 354 HD22 LEU 51 HD22 LEU 51 -1.708 -8.731 4.899 355 HD23 LEU 51 HD23 LEU 51 -1.947 -9.885 6.211 356 H ASN 52 HN ASN 52 -3.137 -8.958 9.309 357 HA ASN 52 HA ASN 52 -3.916 -11.719 9.541 358 HB2 ASN 52 HB2 ASN 52 -5.185 -9.079 10.078 359 HB3 ASN 52 HB1 ASN 52 -6.252 -10.454 9.805 360 HD21 ASN 52 HD21 ASN 52 -6.307 -12.120 11.285 361 HD22 ASN 52 HD22 ASN 52 -5.602 -11.992 12.857 362 H ASN 53 HN ASN 53 -4.262 -9.155 7.196 363 HA ASN 53 HA ASN 53 -6.195 -10.637 5.623 364 HB2 ASN 53 HB2 ASN 53 -5.051 -7.911 5.589 365 HB3 ASN 53 HB1 ASN 53 -5.468 -8.580 4.014 366 HD21 ASN 53 HD21 ASN 53 -6.595 -6.766 6.472 367 HD22 ASN 53 HD22 ASN 53 -8.293 -7.010 6.274 368 H GLU 54 HN GLU 54 -4.491 -12.439 5.585 369 HA GLU 54 HA GLU 54 -2.576 -12.023 3.396 370 HB2 GLU 54 HB2 GLU 54 -2.721 -14.161 5.524 371 HB3 GLU 54 HB1 GLU 54 -1.563 -14.169 4.201 372 HG2 GLU 54 HG2 GLU 54 -0.467 -12.255 5.009 373 HG3 GLU 54 HG1 GLU 54 -1.782 -11.875 6.120 374 H ASN 55 HN ASN 55 -5.596 -12.672 3.346 375 HA ASN 55 HA ASN 55 -5.930 -15.272 2.336 376 HB2 ASN 55 HB2 ASN 55 -8.029 -14.292 1.287 377 HB3 ASN 55 HB1 ASN 55 -7.879 -14.108 3.032 378 HD21 ASN 55 HD21 ASN 55 -7.911 -12.125 3.892 379 HD22 ASN 55 HD22 ASN 55 -7.970 -10.657 2.984 380 H GLY 56 HN GLY 56 -4.894 -12.289 0.840 381 HA2 GLY 56 HA2 GLY 56 -3.399 -12.654 -1.116 382 HA3 GLY 56 HA1 GLY 56 -4.642 -13.734 -1.727 383 H PHE 57 HN PHE 57 -6.938 -12.346 -1.364 384 HA PHE 57 HA PHE 57 -6.852 -10.474 -3.493 385 HB2 PHE 57 HB2 PHE 57 -9.080 -10.914 -1.495 386 HB3 PHE 57 HB1 PHE 57 -9.224 -10.164 -3.082 387 HD1 PHE 57 HD1 PHE 57 -8.061 -11.802 -4.978 388 HD2 PHE 57 HD2 PHE 57 -9.991 -13.003 -1.380 389 HE1 PHE 57 HE1 PHE 57 -8.543 -13.999 -5.974 390 HE2 PHE 57 HE2 PHE 57 -10.476 -15.203 -2.370 391 HZ PHE 57 HZ PHE 57 -9.751 -15.704 -4.670 392 H ASP 58 HN ASP 58 -6.968 -10.173 0.011 393 HA ASP 58 HA ASP 58 -7.382 -7.350 0.029 394 HB2 ASP 58 HB2 ASP 58 -6.692 -9.422 2.065 395 HB3 ASP 58 HB1 ASP 58 -6.403 -7.731 2.464 396 H LYS 59 HN LYS 59 -4.532 -9.427 0.452 397 HA LYS 59 HA LYS 59 -2.686 -7.349 0.896 398 HB2 LYS 59 HB2 LYS 59 -0.980 -8.981 0.571 399 HB3 LYS 59 HB1 LYS 59 -2.322 -9.796 1.360 400 HG2 LYS 59 HG2 LYS 59 -3.007 -10.775 -0.742 401 HG3 LYS 59 HG1 LYS 59 -1.733 -9.898 -1.590 402 HD2 LYS 59 HD2 LYS 59 -0.906 -11.584 0.700 403 HD3 LYS 59 HD1 LYS 59 -1.450 -12.423 -0.754 404 HE2 LYS 59 HE2 LYS 59 0.263 -11.554 -2.052 405 HE3 LYS 59 HE1 LYS 59 0.538 -10.198 -0.958 406 HZ1 LYS 59 HZ1 LYS 59 1.274 -11.984 0.689 407 HZ2 LYS 59 HZ2 LYS 59 2.326 -11.608 -0.581 408 HZ3 LYS 59 HZ3 LYS 59 1.383 -13.011 -0.652 409 H GLU 60 HN GLU 60 -3.751 -8.974 -2.058 410 HA GLU 60 HA GLU 60 -1.933 -7.647 -3.785 411 HB2 GLU 60 HB2 GLU 60 -4.566 -9.020 -4.344 412 HB3 GLU 60 HB1 GLU 60 -3.476 -8.435 -5.593 413 HG2 GLU 60 HG2 GLU 60 -2.213 -10.180 -3.614 414 HG3 GLU 60 HG1 GLU 60 -3.481 -10.950 -4.567 415 H ASP 61 HN ASP 61 -5.370 -7.101 -3.044 416 HA ASP 61 HA ASP 61 -5.783 -4.915 -4.721 417 HB2 ASP 61 HB2 ASP 61 -7.056 -5.689 -2.097 418 HB3 ASP 61 HB1 ASP 61 -7.600 -4.303 -3.038 419 H LEU 62 HN LEU 62 -4.622 -5.030 -1.378 420 HA LEU 62 HA LEU 62 -4.482 -2.235 -0.994 421 HB2 LEU 62 HB2 LEU 62 -4.491 -3.700 0.901 422 HB3 LEU 62 HB1 LEU 62 -3.051 -4.526 0.340 423 HG LEU 62 HG LEU 62 -1.649 -2.723 0.922 424 HD11 LEU 62 HD11 LEU 62 -3.120 -0.947 -0.012 425 HD12 LEU 62 HD12 LEU 62 -2.389 -0.530 1.538 426 HD13 LEU 62 HD13 LEU 62 -4.079 -1.028 1.466 427 HD21 LEU 62 HD21 LEU 62 -2.098 -3.846 2.895 428 HD22 LEU 62 HD22 LEU 62 -3.773 -3.296 2.945 429 HD23 LEU 62 HD23 LEU 62 -2.465 -2.172 3.314 430 H ALA 63 HN ALA 63 -1.942 -4.612 -1.778 431 HA ALA 63 HA ALA 63 0.200 -2.870 -2.008 432 HB1 ALA 63 HB1 ALA 63 -0.304 -5.357 -3.640 433 HB2 ALA 63 HB2 ALA 63 0.424 -5.307 -2.034 434 HB3 ALA 63 HB3 ALA 63 1.255 -4.568 -3.403 435 H ARG 64 HN ARG 64 -1.925 -4.017 -4.636 436 HA ARG 64 HA ARG 64 -0.802 -2.403 -6.644 437 HB2 ARG 64 HB2 ARG 64 -2.519 -4.425 -6.718 438 HB3 ARG 64 HB1 ARG 64 -3.695 -3.119 -6.755 439 HG2 ARG 64 HG2 ARG 64 -1.420 -3.454 -8.699 440 HG3 ARG 64 HG1 ARG 64 -3.096 -3.921 -8.996 441 HD2 ARG 64 HD2 ARG 64 -3.425 -1.354 -8.219 442 HD3 ARG 64 HD1 ARG 64 -1.840 -1.256 -8.984 443 HE ARG 64 HE ARG 64 -4.328 -1.492 -10.298 444 HH11 ARG 64 HH11 ARG 64 -1.035 -2.630 -10.480 445 HH12 ARG 64 HH12 ARG 64 -1.081 -2.872 -12.194 446 HH21 ARG 64 HH21 ARG 64 -4.391 -1.809 -12.553 447 HH22 ARG 64 HH22 ARG 64 -2.986 -2.405 -13.371 448 H PHE 65 HN PHE 65 -3.378 -1.831 -4.325 449 HA PHE 65 HA PHE 65 -4.457 0.506 -5.409 450 HB2 PHE 65 HB2 PHE 65 -5.545 -0.689 -3.588 451 HB3 PHE 65 HB1 PHE 65 -4.200 -0.327 -2.512 452 HD1 PHE 65 HD2 PHE 65 -6.591 1.502 -4.721 453 HD2 PHE 65 HD1 PHE 65 -4.500 1.378 -1.017 454 HE1 PHE 65 HE2 PHE 65 -7.719 3.574 -4.019 455 HE2 PHE 65 HE1 PHE 65 -5.624 3.449 -0.308 456 HZ PHE 65 HZ PHE 65 -7.235 4.550 -1.811 457 H ALA 66 HN ALA 66 -2.015 0.215 -2.820 458 HA ALA 66 HA ALA 66 -1.427 2.952 -2.658 459 HB1 ALA 66 HB1 ALA 66 -0.627 1.854 -0.830 460 HB2 ALA 66 HB2 ALA 66 0.858 1.935 -1.777 461 HB3 ALA 66 HB3 ALA 66 -0.099 0.454 -1.762 462 H VAL 67 HN VAL 67 0.367 0.352 -4.317 463 HA VAL 67 HA VAL 67 2.375 1.860 -5.456 464 HB VAL 67 HB VAL 67 0.978 -0.472 -6.779 465 HG11 VAL 67 HG11 VAL 67 2.437 0.702 -8.309 466 HG12 VAL 67 HG12 VAL 67 3.168 -0.838 -7.855 467 HG13 VAL 67 HG13 VAL 67 3.751 0.661 -7.133 468 HG21 VAL 67 HG21 VAL 67 2.154 -0.495 -4.309 469 HG22 VAL 67 HG22 VAL 67 3.486 -0.973 -5.361 470 HG23 VAL 67 HG23 VAL 67 1.982 -1.894 -5.368 471 H ARG 68 HN ARG 68 -0.766 1.045 -6.929 472 HA ARG 68 HA ARG 68 -0.378 2.638 -9.235 473 HB2 ARG 68 HB2 ARG 68 -1.974 0.814 -9.237 474 HB3 ARG 68 HB1 ARG 68 -2.908 1.582 -7.960 475 HG2 ARG 68 HG2 ARG 68 -3.780 3.182 -9.379 476 HG3 ARG 68 HG1 ARG 68 -2.472 3.005 -10.549 477 HD2 ARG 68 HD2 ARG 68 -4.099 0.595 -10.094 478 HD3 ARG 68 HD1 ARG 68 -4.944 1.945 -10.850 479 HE ARG 68 HE ARG 68 -2.406 1.346 -12.060 480 HH11 ARG 68 HH11 ARG 68 -5.809 0.571 -12.018 481 HH12 ARG 68 HH12 ARG 68 -5.819 -0.035 -13.640 482 HH21 ARG 68 HH21 ARG 68 -2.417 0.548 -14.193 483 HH22 ARG 68 HH22 ARG 68 -3.893 -0.049 -14.875 484 H GLU 69 HN GLU 69 -1.574 3.310 -6.032 485 HA GLU 69 HA GLU 69 -2.932 5.718 -6.575 486 HB2 GLU 69 HB2 GLU 69 -3.204 4.507 -4.467 487 HB3 GLU 69 HB1 GLU 69 -1.526 4.825 -4.050 488 HG2 GLU 69 HG2 GLU 69 -3.067 6.302 -2.866 489 HG3 GLU 69 HG1 GLU 69 -1.974 7.197 -3.920 490 H TYR 70 HN TYR 70 0.439 5.017 -5.779 491 HA TYR 70 HA TYR 70 1.120 7.845 -5.945 492 HB2 TYR 70 HB2 TYR 70 3.047 7.342 -4.817 493 HB3 TYR 70 HB1 TYR 70 2.065 5.980 -4.295 494 HD1 TYR 70 HD2 TYR 70 4.806 7.029 -6.520 495 HD2 TYR 70 HD1 TYR 70 2.593 3.742 -4.974 496 HE1 TYR 70 HE2 TYR 70 6.501 5.481 -7.401 497 HE2 TYR 70 HE1 TYR 70 4.283 2.184 -5.851 498 HH TYR 70 HH TYR 70 6.623 2.191 -6.518 499 H ASN 71 HN ASN 71 1.110 5.051 -7.930 500 HA ASN 71 HA ASN 71 3.149 6.011 -9.742 501 HB2 ASN 71 HB2 ASN 71 1.399 3.587 -9.602 502 HB3 ASN 71 HB1 ASN 71 2.174 4.002 -11.128 503 HD21 ASN 71 HD21 ASN 71 4.561 4.477 -10.928 504 HD22 ASN 71 HD22 ASN 71 5.476 3.418 -9.916 505 H ASN 72 HN ASN 72 -0.286 6.268 -9.416 506 HA ASN 72 HA ASN 72 -0.714 6.950 -12.192 507 HB2 ASN 72 HB2 ASN 72 -2.993 6.976 -11.716 508 HB3 ASN 72 HB1 ASN 72 -2.381 5.787 -10.574 509 HD21 ASN 72 HD21 ASN 72 -2.323 6.283 -8.388 510 HD22 ASN 72 HD22 ASN 72 -3.187 7.622 -7.723 511 H LYS 73 HN LYS 73 -0.385 8.634 -9.123 512 HA LYS 73 HA LYS 73 -1.301 11.143 -9.767 513 HB2 LYS 73 HB2 LYS 73 0.619 11.942 -8.202 514 HB3 LYS 73 HB1 LYS 73 -0.680 10.951 -7.555 515 HG2 LYS 73 HG2 LYS 73 0.668 9.057 -7.432 516 HG3 LYS 73 HG1 LYS 73 1.878 9.731 -8.522 517 HD2 LYS 73 HD2 LYS 73 2.086 11.563 -6.655 518 HD3 LYS 73 HD1 LYS 73 1.399 10.298 -5.633 519 HE2 LYS 73 HE2 LYS 73 3.204 8.821 -6.119 520 HE3 LYS 73 HE1 LYS 73 3.814 9.887 -7.383 521 HZ1 LYS 73 HZ1 LYS 73 4.903 9.887 -5.045 522 HZ2 LYS 73 HZ2 LYS 73 3.608 10.892 -4.629 523 HZ3 LYS 73 HZ3 LYS 73 4.672 11.351 -5.862 524 H ASN 74 HN ASN 74 1.938 9.833 -10.402 525 HA ASN 74 HA ASN 74 2.278 11.269 -12.778 526 HB2 ASN 74 HB2 ASN 74 4.176 12.759 -11.841 527 HB3 ASN 74 HB1 ASN 74 2.506 13.272 -11.628 528 HD21 ASN 74 HD21 ASN 74 5.061 11.450 -9.990 529 HD22 ASN 74 HD22 ASN 74 4.650 11.974 -8.397 530 H ASN 75 HN ASN 75 3.743 9.628 -10.043 531 HA ASN 75 HA ASN 75 6.286 9.119 -10.932 532 HB2 ASN 75 HB2 ASN 75 4.742 8.229 -8.847 533 HB3 ASN 75 HB1 ASN 75 4.995 6.751 -9.770 534 HD21 ASN 75 HD21 ASN 75 7.011 5.854 -9.878 535 HD22 ASN 75 HD22 ASN 75 8.343 6.400 -8.923 536 H ALA 76 HN ALA 76 7.078 6.839 -11.616 537 HA ALA 76 HA ALA 76 6.355 6.420 -14.277 538 HB1 ALA 76 HB1 ALA 76 7.523 4.078 -13.699 539 HB2 ALA 76 HB2 ALA 76 8.046 5.019 -12.302 540 HB3 ALA 76 HB3 ALA 76 8.424 5.575 -13.932 541 H LEU 77 HN LEU 77 5.932 3.888 -14.885 542 HA LEU 77 HA LEU 77 3.430 3.153 -13.512 543 HB2 LEU 77 HB2 LEU 77 3.584 4.084 -16.061 544 HB3 LEU 77 HB1 LEU 77 3.724 2.358 -16.336 545 HG LEU 77 HG LEU 77 1.420 2.960 -16.547 546 HD11 LEU 77 HD11 LEU 77 1.593 0.845 -15.572 547 HD12 LEU 77 HD12 LEU 77 0.439 1.701 -14.550 548 HD13 LEU 77 HD13 LEU 77 2.109 1.502 -14.019 549 HD21 LEU 77 HD21 LEU 77 0.285 4.401 -15.224 550 HD22 LEU 77 HD22 LEU 77 1.908 4.998 -14.876 551 HD23 LEU 77 HD23 LEU 77 1.119 3.885 -13.758 552 H LEU 78 HN LEU 78 4.540 1.661 -12.198 553 HA LEU 78 HA LEU 78 5.709 -0.646 -13.598 554 HB2 LEU 78 HB2 LEU 78 6.465 -1.177 -11.152 555 HB3 LEU 78 HB1 LEU 78 7.337 -0.002 -12.116 556 HG LEU 78 HG LEU 78 6.103 1.818 -10.982 557 HD11 LEU 78 HD11 LEU 78 5.060 0.874 -8.716 558 HD12 LEU 78 HD12 LEU 78 4.713 -0.495 -9.772 559 HD13 LEU 78 HD13 LEU 78 4.108 1.110 -10.182 560 HD21 LEU 78 HD21 LEU 78 8.245 0.394 -10.072 561 HD22 LEU 78 HD22 LEU 78 7.167 0.364 -8.676 562 HD23 LEU 78 HD23 LEU 78 7.661 1.905 -9.375 563 H GLU 79 HN GLU 79 5.462 -2.686 -11.957 564 HA GLU 79 HA GLU 79 2.661 -2.849 -11.106 565 HB2 GLU 79 HB2 GLU 79 4.020 -4.579 -13.148 566 HB3 GLU 79 HB1 GLU 79 2.701 -5.218 -12.177 567 HG2 GLU 79 HG2 GLU 79 1.468 -4.474 -13.904 568 HG3 GLU 79 HG1 GLU 79 1.555 -2.955 -13.013 569 H PHE 80 HN PHE 80 2.369 -3.942 -9.257 570 HA PHE 80 HA PHE 80 4.692 -4.936 -7.871 571 HB2 PHE 80 HB2 PHE 80 3.487 -4.649 -5.967 572 HB3 PHE 80 HB1 PHE 80 2.466 -3.668 -7.010 573 HD1 PHE 80 HD1 PHE 80 0.401 -4.712 -8.005 574 HD2 PHE 80 HD2 PHE 80 2.666 -6.571 -4.919 575 HE1 PHE 80 HE1 PHE 80 -1.520 -6.155 -7.470 576 HE2 PHE 80 HE2 PHE 80 0.751 -8.018 -4.378 577 HZ PHE 80 HZ PHE 80 -1.345 -7.811 -5.656 578 H VAL 81 HN VAL 81 4.973 -7.051 -7.064 579 HA VAL 81 HA VAL 81 3.594 -9.093 -8.665 580 HB VAL 81 HB VAL 81 5.502 -10.581 -7.945 581 HG11 VAL 81 HG11 VAL 81 6.186 -8.111 -9.537 582 HG12 VAL 81 HG12 VAL 81 5.418 -9.572 -10.158 583 HG13 VAL 81 HG13 VAL 81 7.078 -9.632 -9.565 584 HG21 VAL 81 HG21 VAL 81 6.857 -8.008 -7.170 585 HG22 VAL 81 HG22 VAL 81 7.460 -9.656 -6.990 586 HG23 VAL 81 HG23 VAL 81 6.118 -9.095 -5.995 587 H ARG 82 HN ARG 82 4.466 -8.197 -5.377 588 HA ARG 82 HA ARG 82 2.253 -9.344 -4.172 589 HB2 ARG 82 HB2 ARG 82 3.277 -11.302 -3.029 590 HB3 ARG 82 HB1 ARG 82 3.085 -11.516 -4.764 591 HG2 ARG 82 HG2 ARG 82 5.516 -10.648 -4.877 592 HG3 ARG 82 HG1 ARG 82 5.566 -11.101 -3.174 593 HD2 ARG 82 HD2 ARG 82 5.495 -13.319 -3.624 594 HD3 ARG 82 HD1 ARG 82 4.436 -13.109 -5.017 595 HE ARG 82 HE ARG 82 6.288 -13.165 -6.335 596 HH11 ARG 82 HH11 ARG 82 7.270 -12.176 -3.135 597 HH12 ARG 82 HH12 ARG 82 8.956 -12.137 -3.530 598 HH21 ARG 82 HH21 ARG 82 8.504 -13.114 -6.855 599 HH22 ARG 82 HH22 ARG 82 9.657 -12.668 -5.641 600 H VAL 83 HN VAL 83 2.439 -9.426 -1.770 601 HA VAL 83 HA VAL 83 4.195 -7.282 -0.891 602 HB VAL 83 HB VAL 83 2.832 -7.077 1.031 603 HG11 VAL 83 HG11 VAL 83 0.520 -7.713 -0.564 604 HG12 VAL 83 HG12 VAL 83 1.767 -6.941 -1.543 605 HG13 VAL 83 HG13 VAL 83 1.163 -6.139 -0.093 606 HG21 VAL 83 HG21 VAL 83 2.478 -9.166 1.924 607 HG22 VAL 83 HG22 VAL 83 1.972 -9.858 0.382 608 HG23 VAL 83 HG23 VAL 83 0.877 -8.803 1.276 609 H VAL 84 HN VAL 84 5.736 -7.457 0.684 610 HA VAL 84 HA VAL 84 6.404 -10.195 1.545 611 HB VAL 84 HB VAL 84 8.075 -9.264 0.015 612 HG11 VAL 84 HG11 VAL 84 8.597 -7.110 0.063 613 HG12 VAL 84 HG12 VAL 84 9.353 -7.335 1.640 614 HG13 VAL 84 HG13 VAL 84 7.650 -6.891 1.535 615 HG21 VAL 84 HG21 VAL 84 10.046 -9.655 1.390 616 HG22 VAL 84 HG22 VAL 84 8.775 -10.812 1.783 617 HG23 VAL 84 HG23 VAL 84 9.084 -9.444 2.853 618 H LYS 85 HN LYS 85 5.578 -7.038 2.584 619 HA LYS 85 HA LYS 85 5.897 -7.868 5.358 620 HB2 LYS 85 HB2 LYS 85 6.861 -5.129 4.598 621 HB3 LYS 85 HB1 LYS 85 7.184 -6.046 6.062 622 HG2 LYS 85 HG2 LYS 85 8.480 -7.655 4.581 623 HG3 LYS 85 HG1 LYS 85 8.373 -6.410 3.335 624 HD2 LYS 85 HD2 LYS 85 9.419 -4.811 4.926 625 HD3 LYS 85 HD1 LYS 85 9.636 -6.145 6.061 626 HE2 LYS 85 HE2 LYS 85 10.741 -7.208 3.840 627 HE3 LYS 85 HE1 LYS 85 11.097 -5.500 3.583 628 HZ1 LYS 85 HZ1 LYS 85 11.817 -5.747 6.117 629 HZ2 LYS 85 HZ2 LYS 85 12.882 -6.022 4.833 630 HZ3 LYS 85 HZ3 LYS 85 12.127 -7.328 5.598 631 H ALA 86 HN ALA 86 4.678 -6.575 6.858 632 HA ALA 86 HA ALA 86 2.884 -4.553 5.900 633 HB1 ALA 86 HB1 ALA 86 1.861 -6.721 5.113 634 HB2 ALA 86 HB2 ALA 86 0.826 -5.695 6.107 635 HB3 ALA 86 HB3 ALA 86 1.602 -7.113 6.813 636 H LYS 87 HN LYS 87 2.658 -3.173 7.517 637 HA LYS 87 HA LYS 87 2.567 -4.205 10.270 638 HB2 LYS 87 HB2 LYS 87 4.102 -1.785 9.306 639 HB3 LYS 87 HB1 LYS 87 3.882 -2.227 10.994 640 HG2 LYS 87 HG2 LYS 87 5.873 -3.222 10.724 641 HG3 LYS 87 HG1 LYS 87 4.907 -4.524 10.027 642 HD2 LYS 87 HD2 LYS 87 5.251 -3.534 7.789 643 HD3 LYS 87 HD1 LYS 87 6.287 -2.305 8.518 644 HE2 LYS 87 HE2 LYS 87 6.843 -5.225 8.899 645 HE3 LYS 87 HE1 LYS 87 7.388 -4.379 7.452 646 HZ1 LYS 87 HZ1 LYS 87 8.663 -2.884 8.791 647 HZ2 LYS 87 HZ2 LYS 87 9.065 -4.464 9.241 648 HZ3 LYS 87 HZ3 LYS 87 8.044 -3.540 10.223 649 H GLU 88 HN GLU 88 1.430 -2.870 11.782 650 HA GLU 88 HA GLU 88 -0.393 -0.929 10.522 651 HB2 GLU 88 HB2 GLU 88 -2.077 -1.730 12.274 652 HB3 GLU 88 HB1 GLU 88 -1.765 -2.796 10.911 653 HG2 GLU 88 HG2 GLU 88 -0.030 -3.269 13.214 654 HG3 GLU 88 HG1 GLU 88 -1.744 -3.533 13.531 655 H GLN 89 HN GLN 89 -1.091 0.809 11.809 656 HA GLN 89 HA GLN 89 -0.086 1.142 14.488 657 HB2 GLN 89 HB2 GLN 89 1.064 3.338 13.832 658 HB3 GLN 89 HB1 GLN 89 1.917 1.840 13.486 659 HG2 GLN 89 HG2 GLN 89 0.381 2.382 11.211 660 HG3 GLN 89 HG1 GLN 89 1.084 3.922 11.700 661 HE21 GLN 89 HE21 GLN 89 1.886 0.551 11.030 662 HE22 GLN 89 HE22 GLN 89 3.484 0.858 10.450 663 H VAL 90 HN VAL 90 -0.844 3.163 15.475 664 HA VAL 90 HA VAL 90 -3.342 4.060 14.204 665 HB VAL 90 HB VAL 90 -2.641 4.264 17.131 666 HG11 VAL 90 HG11 VAL 90 -5.111 4.759 15.508 667 HG12 VAL 90 HG12 VAL 90 -4.331 5.804 16.695 668 HG13 VAL 90 HG13 VAL 90 -5.214 4.372 17.225 669 HG21 VAL 90 HG21 VAL 90 -2.691 1.943 16.702 670 HG22 VAL 90 HG22 VAL 90 -4.072 2.095 15.617 671 HG23 VAL 90 HG23 VAL 90 -4.282 2.341 17.350 672 H VAL 91 HN VAL 91 -3.450 6.069 13.493 673 HA VAL 91 HA VAL 91 -2.216 8.261 14.893 674 HB VAL 91 HB VAL 91 -0.995 9.077 12.843 675 HG11 VAL 91 HG11 VAL 91 -0.044 7.784 14.909 676 HG12 VAL 91 HG12 VAL 91 0.981 8.110 13.512 677 HG13 VAL 91 HG13 VAL 91 0.257 6.516 13.721 678 HG21 VAL 91 HG21 VAL 91 -2.001 6.523 11.838 679 HG22 VAL 91 HG22 VAL 91 -0.280 6.775 11.547 680 HG23 VAL 91 HG23 VAL 91 -1.456 7.952 10.961 681 H SER 92 HN SER 92 -4.222 9.199 15.031 682 HA SER 92 HA SER 92 -6.024 10.437 14.398 683 HB2 SER 92 HB2 SER 92 -4.611 10.746 11.740 684 HB3 SER 92 HB1 SER 92 -5.839 11.811 12.424 685 HG SER 92 HG SER 92 -3.385 12.252 12.635 686 H GLY 93 HN GLY 93 -5.858 7.530 13.849 687 HA2 GLY 93 HA2 GLY 93 -8.248 6.815 12.991 688 HA3 GLY 93 HA1 GLY 93 -7.498 7.217 11.453 689 H MET 94 HN MET 94 -6.479 5.634 10.415 690 HA MET 94 HA MET 94 -5.205 3.490 11.923 691 HB2 MET 94 HB2 MET 94 -7.418 3.051 9.918 692 HB3 MET 94 HB1 MET 94 -6.306 1.782 10.414 693 HG2 MET 94 HG2 MET 94 -7.931 3.318 12.408 694 HG3 MET 94 HG1 MET 94 -8.576 1.909 11.568 695 HE1 MET 94 HE1 MET 94 -7.778 2.973 14.558 696 HE2 MET 94 HE2 MET 94 -6.015 2.963 14.600 697 HE3 MET 94 HE3 MET 94 -6.925 1.721 15.461 698 H MET 95 HN MET 95 -3.209 3.419 11.146 699 HA MET 95 HA MET 95 -2.794 3.895 8.269 700 HB2 MET 95 HB2 MET 95 -1.690 5.308 10.278 701 HB3 MET 95 HB1 MET 95 -0.488 4.034 10.127 702 HG2 MET 95 HG2 MET 95 0.033 4.626 7.928 703 HG3 MET 95 HG1 MET 95 -1.432 5.589 7.748 704 HE1 MET 95 HE1 MET 95 -1.672 7.997 8.279 705 HE2 MET 95 HE2 MET 95 -0.507 7.873 6.961 706 HE3 MET 95 HE3 MET 95 -0.229 9.011 8.279 707 H HIS 96 HN HIS 96 -1.452 2.519 7.099 708 HA HIS 96 HA HIS 96 -0.465 0.126 8.475 709 HB2 HIS 96 HB2 HIS 96 -2.807 -0.082 7.261 710 HB3 HIS 96 HB1 HIS 96 -1.798 -0.231 5.826 711 HD1 HIS 96 HD1 HIS 96 -2.279 -1.903 9.197 712 HD2 HIS 96 HD2 HIS 96 -0.802 -2.730 5.402 713 HE1 HIS 96 HE1 HIS 96 -1.748 -4.361 9.203 714 HE2 HIS 96 HE2 HIS 96 -0.776 -4.820 6.925 715 H TYR 97 HN TYR 97 1.612 -0.087 8.036 716 HA TYR 97 HA TYR 97 2.663 0.985 5.512 717 HB2 TYR 97 HB2 TYR 97 4.000 0.324 8.139 718 HB3 TYR 97 HB1 TYR 97 4.900 0.730 6.681 719 HD1 TYR 97 HD2 TYR 97 1.928 2.133 8.480 720 HD2 TYR 97 HD1 TYR 97 5.704 2.883 6.669 721 HE1 TYR 97 HE2 TYR 97 1.703 4.522 9.015 722 HE2 TYR 97 HE1 TYR 97 5.490 5.274 7.200 723 HH TYR 97 HH TYR 97 3.783 6.904 7.701 724 H LEU 98 HN LEU 98 2.556 -0.565 3.989 725 HA LEU 98 HA LEU 98 3.595 -3.234 4.689 726 HB2 LEU 98 HB2 LEU 98 2.155 -4.184 3.021 727 HB3 LEU 98 HB1 LEU 98 1.196 -3.201 4.112 728 HG LEU 98 HG LEU 98 2.109 -1.718 1.767 729 HD11 LEU 98 HD11 LEU 98 0.511 -2.819 0.222 730 HD12 LEU 98 HD12 LEU 98 0.347 -4.132 1.389 731 HD13 LEU 98 HD13 LEU 98 1.907 -3.818 0.628 732 HD21 LEU 98 HD21 LEU 98 0.469 -0.706 3.080 733 HD22 LEU 98 HD22 LEU 98 -0.467 -2.193 3.224 734 HD23 LEU 98 HD23 LEU 98 -0.425 -1.323 1.691 735 H THR 99 HN THR 99 5.083 -4.199 3.385 736 HA THR 99 HA THR 99 6.199 -2.523 1.237 737 HB THR 99 HB THR 99 7.766 -4.727 2.507 738 HG1 THR 99 HG1 THR 99 8.440 -3.249 4.120 739 HG21 THR 99 HG21 THR 99 9.612 -3.633 1.794 740 HG22 THR 99 HG22 THR 99 8.875 -2.040 1.968 741 HG23 THR 99 HG23 THR 99 8.470 -3.052 0.582 742 H VAL 100 HN VAL 100 6.211 -3.313 -0.786 743 HA VAL 100 HA VAL 100 5.831 -6.205 -1.147 744 HB VAL 100 HB VAL 100 4.143 -5.955 -2.771 745 HG11 VAL 100 HG11 VAL 100 2.348 -5.037 -1.563 746 HG12 VAL 100 HG12 VAL 100 3.380 -3.848 -0.770 747 HG13 VAL 100 HG13 VAL 100 3.508 -5.553 -0.339 748 HG21 VAL 100 HG21 VAL 100 5.232 -3.269 -3.055 749 HG22 VAL 100 HG22 VAL 100 3.468 -3.297 -3.049 750 HG23 VAL 100 HG23 VAL 100 4.362 -4.268 -4.219 751 H GLU 101 HN GLU 101 6.390 -6.971 -3.324 752 HA GLU 101 HA GLU 101 8.782 -5.614 -4.273 753 HB2 GLU 101 HB2 GLU 101 7.639 -8.351 -4.534 754 HB3 GLU 101 HB1 GLU 101 8.696 -7.787 -5.820 755 HG2 GLU 101 HG2 GLU 101 10.488 -7.427 -4.260 756 HG3 GLU 101 HG1 GLU 101 9.433 -7.821 -2.903 757 H VAL 102 HN VAL 102 8.913 -4.492 -6.122 758 HA VAL 102 HA VAL 102 6.608 -4.610 -7.956 759 HB VAL 102 HB VAL 102 8.333 -2.182 -7.493 760 HG11 VAL 102 HG11 VAL 102 7.357 -1.645 -9.445 761 HG12 VAL 102 HG12 VAL 102 5.949 -1.305 -8.439 762 HG13 VAL 102 HG13 VAL 102 6.090 -2.858 -9.264 763 HG21 VAL 102 HG21 VAL 102 7.303 -2.168 -5.473 764 HG22 VAL 102 HG22 VAL 102 5.970 -3.184 -6.022 765 HG23 VAL 102 HG23 VAL 102 5.990 -1.465 -6.417 766 H ASN 103 HN ASN 103 6.998 -4.392 -10.171 767 HA ASN 103 HA ASN 103 9.808 -4.661 -11.004 768 HB2 ASN 103 HB2 ASN 103 8.682 -6.860 -11.074 769 HB3 ASN 103 HB1 ASN 103 7.454 -6.187 -12.142 770 HD21 ASN 103 HD21 ASN 103 10.084 -8.052 -12.115 771 HD22 ASN 103 HD22 ASN 103 10.693 -7.764 -13.706 772 H ASP 104 HN ASP 104 10.374 -3.693 -12.947 773 HA ASP 104 HA ASP 104 8.322 -2.344 -14.508 774 HB2 ASP 104 HB2 ASP 104 9.301 -0.875 -12.533 775 HB3 ASP 104 HB1 ASP 104 10.631 -0.649 -13.665 776 H ALA 105 HN ALA 105 8.763 -3.084 -16.478 777 HA ALA 105 HA ALA 105 9.882 -3.681 -18.370 778 HB1 ALA 105 HB1 ALA 105 11.989 -2.191 -18.780 779 HB2 ALA 105 HB2 ALA 105 11.386 -1.305 -17.379 780 HB3 ALA 105 HB3 ALA 105 10.375 -1.480 -18.814 781 H GLY 106 HN GLY 106 10.550 -5.089 -15.875 782 HA2 GLY 106 HA2 GLY 106 11.928 -7.069 -15.894 783 HA3 GLY 106 HA1 GLY 106 13.161 -6.146 -16.741 784 H LYS 107 HN LYS 107 12.754 -3.826 -14.917 785 HA LYS 107 HA LYS 107 14.735 -4.509 -13.009 786 HB2 LYS 107 HB2 LYS 107 13.074 -2.106 -13.597 787 HB3 LYS 107 HB1 LYS 107 13.848 -2.200 -12.021 788 HG2 LYS 107 HG2 LYS 107 15.927 -1.924 -12.868 789 HG3 LYS 107 HG1 LYS 107 15.547 -2.770 -14.370 790 HD2 LYS 107 HD2 LYS 107 15.651 -0.673 -15.221 791 HD3 LYS 107 HD1 LYS 107 13.976 -0.618 -14.667 792 HE2 LYS 107 HE2 LYS 107 14.812 1.332 -13.775 793 HE3 LYS 107 HE1 LYS 107 15.041 0.210 -12.434 794 HZ1 LYS 107 HZ1 LYS 107 17.107 1.080 -12.500 795 HZ2 LYS 107 HZ2 LYS 107 17.020 1.498 -14.137 796 HZ3 LYS 107 HZ3 LYS 107 17.347 -0.100 -13.688 797 H LYS 108 HN LYS 108 14.352 -5.844 -11.368 798 HA LYS 108 HA LYS 108 11.752 -5.739 -10.011 799 HB2 LYS 108 HB2 LYS 108 12.463 -7.938 -10.827 800 HB3 LYS 108 HB1 LYS 108 13.943 -7.819 -9.886 801 HG2 LYS 108 HG2 LYS 108 12.811 -8.989 -8.358 802 HG3 LYS 108 HG1 LYS 108 12.064 -7.440 -7.964 803 HD2 LYS 108 HD2 LYS 108 10.531 -8.296 -10.059 804 HD3 LYS 108 HD1 LYS 108 10.920 -9.812 -9.245 805 HE2 LYS 108 HE2 LYS 108 9.181 -9.323 -7.922 806 HE3 LYS 108 HE1 LYS 108 10.287 -8.192 -7.143 807 HZ1 LYS 108 HZ1 LYS 108 8.004 -7.669 -8.832 808 HZ2 LYS 108 HZ2 LYS 108 9.367 -6.741 -9.205 809 HZ3 LYS 108 HZ3 LYS 108 8.718 -6.699 -7.644 810 H LYS 109 HN LYS 109 11.549 -5.024 -7.970 811 HA LYS 109 HA LYS 109 13.781 -4.976 -6.151 812 HB2 LYS 109 HB2 LYS 109 12.831 -2.513 -7.524 813 HB3 LYS 109 HB1 LYS 109 13.223 -2.389 -5.815 814 HG2 LYS 109 HG2 LYS 109 15.285 -1.954 -6.571 815 HG3 LYS 109 HG1 LYS 109 15.397 -3.708 -6.725 816 HD2 LYS 109 HD2 LYS 109 15.963 -3.244 -8.855 817 HD3 LYS 109 HD1 LYS 109 14.222 -3.062 -9.080 818 HE2 LYS 109 HE2 LYS 109 14.514 -0.628 -8.511 819 HE3 LYS 109 HE1 LYS 109 16.255 -0.895 -8.590 820 HZ1 LYS 109 HZ1 LYS 109 15.493 -1.929 -10.916 821 HZ2 LYS 109 HZ2 LYS 109 15.940 -0.309 -10.725 822 HZ3 LYS 109 HZ3 LYS 109 14.304 -0.739 -10.734 823 H LEU 110 HN LEU 110 13.090 -3.767 -4.065 824 HA LEU 110 HA LEU 110 10.276 -4.452 -3.519 825 HB2 LEU 110 HB2 LEU 110 11.628 -5.948 -2.288 826 HB3 LEU 110 HB1 LEU 110 12.747 -4.683 -1.822 827 HG LEU 110 HG LEU 110 11.161 -3.752 -0.272 828 HD11 LEU 110 HD11 LEU 110 9.260 -5.606 -1.631 829 HD12 LEU 110 HD12 LEU 110 9.060 -3.910 -1.191 830 HD13 LEU 110 HD13 LEU 110 8.988 -5.158 0.053 831 HD21 LEU 110 HD21 LEU 110 11.454 -5.309 1.338 832 HD22 LEU 110 HD22 LEU 110 12.439 -6.083 0.097 833 HD23 LEU 110 HD23 LEU 110 10.777 -6.609 0.358 834 H TYR 111 HN TYR 111 9.003 -2.782 -3.071 835 HA TYR 111 HA TYR 111 10.226 -0.356 -1.930 836 HB2 TYR 111 HB2 TYR 111 7.799 -0.388 -3.722 837 HB3 TYR 111 HB1 TYR 111 8.736 1.007 -3.204 838 HD1 TYR 111 HD1 TYR 111 11.494 -0.269 -3.690 839 HD2 TYR 111 HD2 TYR 111 7.973 -0.033 -6.069 840 HE1 TYR 111 HE1 TYR 111 12.864 -0.433 -5.724 841 HE2 TYR 111 HE2 TYR 111 9.335 -0.198 -8.109 842 HH TYR 111 HH TYR 111 11.722 -1.222 -8.653 843 H GLU 112 HN GLU 112 9.066 0.787 -0.379 844 HA GLU 112 HA GLU 112 6.984 -0.783 0.962 845 HB2 GLU 112 HB2 GLU 112 9.221 0.178 2.040 846 HB3 GLU 112 HB1 GLU 112 8.214 1.605 2.246 847 HG2 GLU 112 HG2 GLU 112 6.587 -0.399 3.153 848 HG3 GLU 112 HG1 GLU 112 8.184 -0.936 3.669 849 H ALA 113 HN ALA 113 5.023 0.109 1.565 850 HA ALA 113 HA ALA 113 4.417 2.809 0.570 851 HB1 ALA 113 HB1 ALA 113 3.646 0.669 -0.846 852 HB2 ALA 113 HB2 ALA 113 2.704 2.156 -0.758 853 HB3 ALA 113 HB3 ALA 113 2.285 0.785 0.268 854 H LYS 114 HN LYS 114 3.289 4.034 1.965 855 HA LYS 114 HA LYS 114 2.093 2.674 4.289 856 HB2 LYS 114 HB2 LYS 114 2.499 4.750 5.560 857 HB3 LYS 114 HB1 LYS 114 3.984 4.018 4.969 858 HG2 LYS 114 HG2 LYS 114 3.595 5.662 2.961 859 HG3 LYS 114 HG1 LYS 114 2.666 6.551 4.168 860 HD2 LYS 114 HD2 LYS 114 4.842 7.432 4.308 861 HD3 LYS 114 HD1 LYS 114 4.711 6.321 5.671 862 HE2 LYS 114 HE2 LYS 114 6.039 4.702 4.629 863 HE3 LYS 114 HE1 LYS 114 5.833 5.430 3.037 864 HZ1 LYS 114 HZ1 LYS 114 7.162 6.980 5.146 865 HZ2 LYS 114 HZ2 LYS 114 7.383 7.036 3.470 866 HZ3 LYS 114 HZ3 LYS 114 8.031 5.756 4.365 867 H VAL 115 HN VAL 115 -0.039 2.656 4.227 868 HA VAL 115 HA VAL 115 -1.443 4.859 2.877 869 HB VAL 115 HB VAL 115 -2.575 2.157 3.602 870 HG11 VAL 115 HG11 VAL 115 -4.216 3.956 3.298 871 HG12 VAL 115 HG12 VAL 115 -4.336 2.737 2.029 872 HG13 VAL 115 HG13 VAL 115 -3.552 4.282 1.697 873 HG21 VAL 115 HG21 VAL 115 -0.976 3.045 1.271 874 HG22 VAL 115 HG22 VAL 115 -2.371 2.015 0.948 875 HG23 VAL 115 HG23 VAL 115 -1.093 1.456 2.028 876 H TRP 116 HN TRP 116 -3.264 5.816 3.836 877 HA TRP 116 HA TRP 116 -3.545 5.356 6.733 878 HB2 TRP 116 HB2 TRP 116 -2.298 7.442 6.274 879 HB3 TRP 116 HB1 TRP 116 -3.649 8.025 5.312 880 HD1 TRP 116 HD1 TRP 116 -3.677 6.443 8.861 881 HE1 TRP 116 HE1 TRP 116 -4.888 8.077 10.439 882 HE3 TRP 116 HE3 TRP 116 -4.552 10.256 5.568 883 HZ2 TRP 116 HZ2 TRP 116 -6.059 10.643 10.305 884 HZ3 TRP 116 HZ3 TRP 116 -5.725 12.263 6.373 885 HH2 TRP 116 HH2 TRP 116 -6.464 12.451 8.693 886 H GLU 117 HN GLU 117 -5.597 5.438 7.578 887 HA GLU 117 HA GLU 117 -7.834 6.221 5.906 888 HB2 GLU 117 HB2 GLU 117 -7.417 3.861 5.286 889 HB3 GLU 117 HB1 GLU 117 -7.610 3.401 6.972 890 HG2 GLU 117 HG2 GLU 117 -9.853 4.941 5.926 891 HG3 GLU 117 HG1 GLU 117 -9.583 3.417 5.081 892 H GLN 118 HN GLN 118 -9.166 7.351 7.156 893 HA GLN 118 HA GLN 118 -9.093 6.929 10.050 894 HB2 GLN 118 HB2 GLN 118 -10.565 9.174 8.717 895 HB3 GLN 118 HB1 GLN 118 -9.826 9.121 10.309 896 HG2 GLN 118 HG2 GLN 118 -8.325 10.444 9.247 897 HG3 GLN 118 HG1 GLN 118 -7.616 8.868 8.898 898 HE21 GLN 118 HE21 GLN 118 -6.974 8.662 6.889 899 HE22 GLN 118 HE22 GLN 118 -7.698 9.391 5.500 900 H VAL 119 HN VAL 119 -11.306 7.462 11.125 901 HA VAL 119 HA VAL 119 -13.375 5.890 9.733 902 HB VAL 119 HB VAL 119 -12.500 4.744 11.721 903 HG11 VAL 119 HG11 VAL 119 -11.862 6.799 12.960 904 HG12 VAL 119 HG12 VAL 119 -12.762 5.638 13.935 905 HG13 VAL 119 HG13 VAL 119 -13.569 7.074 13.306 906 HG21 VAL 119 HG21 VAL 119 -14.535 3.981 12.395 907 HG22 VAL 119 HG22 VAL 119 -15.050 4.910 10.988 908 HG23 VAL 119 HG23 VAL 119 -15.198 5.602 12.603 909 H TRP 120 HN TRP 120 -12.736 8.662 11.814 910 HA TRP 120 HA TRP 120 -15.494 9.521 11.794 911 HB2 TRP 120 HB2 TRP 120 -14.596 11.513 13.009 912 HB3 TRP 120 HB1 TRP 120 -14.208 9.978 13.779 913 HD1 TRP 120 HD1 TRP 120 -12.566 12.845 11.830 914 HE1 TRP 120 HE1 TRP 120 -10.024 12.745 12.218 915 HE3 TRP 120 HE3 TRP 120 -12.307 8.420 14.376 916 HZ2 TRP 120 HZ2 TRP 120 -8.156 11.019 13.441 917 HZ3 TRP 120 HZ3 TRP 120 -10.104 7.614 15.119 918 HH2 TRP 120 HH2 TRP 120 -8.073 8.887 14.659 919 H MET 121 HN MET 121 -12.693 9.990 9.854 920 HA MET 121 HA MET 121 -13.809 12.386 8.598 921 HB2 MET 121 HB2 MET 121 -11.427 12.432 9.190 922 HB3 MET 121 HB1 MET 121 -11.145 11.014 8.192 923 HG2 MET 121 HG2 MET 121 -10.688 12.376 6.514 924 HG3 MET 121 HG1 MET 121 -12.389 12.838 6.500 925 HE1 MET 121 HE1 MET 121 -9.184 15.713 6.712 926 HE2 MET 121 HE2 MET 121 -9.670 14.421 5.614 927 HE3 MET 121 HE3 MET 121 -8.749 14.042 7.070 928 H ASN 122 HN ASN 122 -13.346 8.998 8.092 929 HA ASN 122 HA ASN 122 -14.000 7.578 6.450 930 HB2 ASN 122 HB2 ASN 122 -15.766 9.941 6.008 931 HB3 ASN 122 HB1 ASN 122 -15.717 8.701 4.758 932 HD21 ASN 122 HD21 ASN 122 -15.667 8.653 8.308 933 HD22 ASN 122 HD22 ASN 122 -16.985 7.549 8.480 934 H PHE 123 HN PHE 123 -11.565 8.711 6.061 935 HA PHE 123 HA PHE 123 -11.474 8.976 3.135 936 HB2 PHE 123 HB2 PHE 123 -10.960 11.079 4.825 937 HB3 PHE 123 HB1 PHE 123 -9.349 10.421 4.557 938 HD1 PHE 123 HD2 PHE 123 -9.131 9.666 1.891 939 HD2 PHE 123 HD1 PHE 123 -11.422 12.874 3.493 940 HE1 PHE 123 HE2 PHE 123 -9.019 10.824 -0.277 941 HE2 PHE 123 HE1 PHE 123 -11.315 14.038 1.328 942 HZ PHE 123 HZ PHE 123 -10.111 13.013 -0.561 943 H ARG 124 HN ARG 124 -9.896 7.835 2.127 944 HA ARG 124 HA ARG 124 -7.750 6.643 3.705 945 HB2 ARG 124 HB2 ARG 124 -9.605 5.010 3.749 946 HB3 ARG 124 HB1 ARG 124 -9.621 4.999 1.992 947 HG2 ARG 124 HG2 ARG 124 -7.040 4.393 3.293 948 HG3 ARG 124 HG1 ARG 124 -8.319 3.188 3.455 949 HD2 ARG 124 HD2 ARG 124 -7.419 4.365 0.830 950 HD3 ARG 124 HD1 ARG 124 -6.819 2.847 1.491 951 HE ARG 124 HE ARG 124 -8.917 1.867 1.111 952 HH11 ARG 124 HH11 ARG 124 -8.836 5.202 0.060 953 HH12 ARG 124 HH12 ARG 124 -10.253 5.051 -0.922 954 HH21 ARG 124 HH21 ARG 124 -10.777 1.679 -0.179 955 HH22 ARG 124 HH22 ARG 124 -11.354 3.057 -1.057 956 H GLN 125 HN GLN 125 -5.882 6.816 2.648 957 HA GLN 125 HA GLN 125 -5.678 6.378 -0.178 958 HB2 GLN 125 HB2 GLN 125 -4.884 8.591 -0.804 959 HB3 GLN 125 HB1 GLN 125 -6.518 8.691 -0.161 960 HG2 GLN 125 HG2 GLN 125 -5.036 9.099 2.078 961 HG3 GLN 125 HG1 GLN 125 -4.021 9.840 0.842 962 HE21 GLN 125 HE21 GLN 125 -4.885 11.529 2.620 963 HE22 GLN 125 HE22 GLN 125 -6.196 12.495 2.041 964 H LEU 126 HN LEU 126 -3.356 7.026 -0.924 965 HA LEU 126 HA LEU 126 -1.537 5.823 0.993 966 HB2 LEU 126 HB2 LEU 126 -1.433 4.974 -1.244 967 HB3 LEU 126 HB1 LEU 126 -1.259 6.586 -1.910 968 HG LEU 126 HG LEU 126 0.852 5.735 -0.018 969 HD11 LEU 126 HD11 LEU 126 1.165 3.759 -1.026 970 HD12 LEU 126 HD12 LEU 126 1.839 4.719 -2.343 971 HD13 LEU 126 HD13 LEU 126 0.158 4.192 -2.407 972 HD21 LEU 126 HD21 LEU 126 0.693 7.913 -1.341 973 HD22 LEU 126 HD22 LEU 126 1.117 6.945 -2.753 974 HD23 LEU 126 HD23 LEU 126 2.229 7.047 -1.388 975 H GLN 127 HN GLN 127 0.132 6.834 1.996 976 HA GLN 127 HA GLN 127 0.179 9.747 1.821 977 HB2 GLN 127 HB2 GLN 127 1.118 7.745 3.838 978 HB3 GLN 127 HB1 GLN 127 1.809 9.362 3.838 979 HG2 GLN 127 HG2 GLN 127 -0.122 9.000 5.394 980 HG3 GLN 127 HG1 GLN 127 -0.280 10.361 4.284 981 HE21 GLN 127 HE21 GLN 127 -2.149 10.533 3.295 982 HE22 GLN 127 HE22 GLN 127 -3.271 9.254 2.998 983 H GLU 128 HN GLU 128 2.624 7.148 2.041 984 HA GLU 128 HA GLU 128 4.227 8.596 0.069 985 HB2 GLU 128 HB2 GLU 128 5.603 7.511 2.498 986 HB3 GLU 128 HB1 GLU 128 6.157 8.731 1.361 987 HG2 GLU 128 HG2 GLU 128 3.887 9.145 3.289 988 HG3 GLU 128 HG1 GLU 128 5.560 9.595 3.618 989 H PHE 129 HN PHE 129 5.912 7.351 -0.895 990 HA PHE 129 HA PHE 129 5.717 4.444 -0.561 991 HB2 PHE 129 HB2 PHE 129 4.334 5.475 -2.545 992 HB3 PHE 129 HB1 PHE 129 5.908 5.605 -3.320 993 HD1 PHE 129 HD2 PHE 129 7.177 3.597 -3.899 994 HD2 PHE 129 HD1 PHE 129 3.278 3.357 -2.211 995 HE1 PHE 129 HE2 PHE 129 7.016 1.250 -4.614 996 HE2 PHE 129 HE1 PHE 129 3.112 1.007 -2.920 997 HZ PHE 129 HZ PHE 129 4.983 -0.050 -4.124 998 H THR 130 HN THR 130 7.718 3.918 0.081 999 HA THR 130 HA THR 130 10.007 5.341 -1.068 1000 HB THR 130 HB THR 130 11.288 4.552 0.776 1001 HG1 THR 130 HG1 THR 130 10.896 2.633 1.482 1002 HG21 THR 130 HG21 THR 130 9.261 4.820 2.655 1003 HG22 THR 130 HG22 THR 130 8.761 5.821 1.291 1004 HG23 THR 130 HG23 THR 130 10.332 6.083 2.049 1005 H TYR 131 HN TYR 131 11.805 4.226 -1.927 1006 HA TYR 131 HA TYR 131 11.137 1.551 -2.958 1007 HB2 TYR 131 HB2 TYR 131 12.765 2.087 -4.788 1008 HB3 TYR 131 HB1 TYR 131 11.341 3.123 -4.762 1009 HD1 TYR 131 HD2 TYR 131 11.533 5.457 -3.917 1010 HD2 TYR 131 HD1 TYR 131 14.948 2.981 -4.474 1011 HE1 TYR 131 HE2 TYR 131 12.978 7.446 -3.857 1012 HE2 TYR 131 HE1 TYR 131 16.402 4.963 -4.416 1013 HH TYR 131 HH TYR 131 15.213 8.123 -4.655 1014 H LEU 132 HN LEU 132 12.143 0.012 -1.849 1015 HA LEU 132 HA LEU 132 14.686 0.532 -0.556 1016 HB2 LEU 132 HB2 LEU 132 13.365 -2.150 -0.589 1017 HB3 LEU 132 HB1 LEU 132 14.341 -1.411 0.666 1018 HG LEU 132 HG LEU 132 11.486 -0.726 -0.030 1019 HD11 LEU 132 HD11 LEU 132 12.458 -1.659 2.632 1020 HD12 LEU 132 HD12 LEU 132 12.167 -2.832 1.347 1021 HD13 LEU 132 HD13 LEU 132 10.856 -1.793 1.907 1022 HD21 LEU 132 HD21 LEU 132 12.382 1.331 0.586 1023 HD22 LEU 132 HD22 LEU 132 13.479 0.610 1.764 1024 HD23 LEU 132 HD23 LEU 132 11.750 0.691 2.104 1025 H GLY 133 HN GLY 133 15.979 -1.855 -0.640 1026 HA2 GLY 133 HA2 GLY 133 17.188 -1.764 -3.238 1027 HA3 GLY 133 HA1 GLY 133 17.639 -2.829 -1.916 1028 H ASP 134 HN ASP 134 15.951 -4.597 -1.468 1029 HA ASP 134 HA ASP 134 14.214 -5.477 -3.491 1030 HB2 ASP 134 HB2 ASP 134 16.324 -5.789 -4.750 1031 HB3 ASP 134 HB1 ASP 134 16.900 -6.871 -3.486 1032 H ALA 135 HN ALA 135 13.407 -7.681 -3.098 1033 HA ALA 135 HA ALA 135 13.691 -8.383 -0.256 1034 HB1 ALA 135 HB1 ALA 135 11.482 -9.078 -0.228 1035 HB2 ALA 135 HB2 ALA 135 11.432 -9.329 -1.973 1036 HB3 ALA 135 HB3 ALA 135 11.430 -7.692 -1.318 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 11.908 0.610 19.495 2 H2 MET 1 HT2 MET 1 10.400 1.080 20.166 3 H3 MET 1 HT3 MET 1 11.136 2.039 18.949 4 HA MET 1 HA MET 1 10.360 -0.755 18.516 5 HB2 MET 1 HB2 MET 1 8.615 1.293 19.152 6 HB3 MET 1 HB1 MET 1 8.623 1.319 17.394 7 HG2 MET 1 HG2 MET 1 6.839 -0.086 18.259 8 HG3 MET 1 HG1 MET 1 8.008 -1.027 17.334 9 HE1 MET 1 HE1 MET 1 9.657 -3.282 19.178 10 HE2 MET 1 HE2 MET 1 8.682 -2.886 17.763 11 HE3 MET 1 HE3 MET 1 8.001 -3.875 19.054 12 H ALA 2 HN ALA 2 9.328 -0.329 16.007 13 HA ALA 2 HA ALA 2 11.612 -0.265 14.396 14 HB1 ALA 2 HB1 ALA 2 9.151 -1.158 13.992 15 HB2 ALA 2 HB2 ALA 2 10.226 -0.752 12.654 16 HB3 ALA 2 HB3 ALA 2 8.989 0.394 13.171 17 H ASP 3 HN ASP 3 9.131 2.216 14.950 18 HA ASP 3 HA ASP 3 9.116 4.464 14.606 19 HB2 ASP 3 HB2 ASP 3 12.062 3.932 14.888 20 HB3 ASP 3 HB1 ASP 3 11.467 5.553 14.540 21 H GLU 4 HN GLU 4 8.260 4.935 12.679 22 HA GLU 4 HA GLU 4 9.999 5.538 10.476 23 HB2 GLU 4 HB2 GLU 4 9.414 2.989 10.419 24 HB3 GLU 4 HB1 GLU 4 7.854 3.547 9.831 25 HG2 GLU 4 HG2 GLU 4 8.679 4.185 7.826 26 HG3 GLU 4 HG1 GLU 4 10.245 4.646 8.492 27 H GLN 5 HN GLN 5 8.860 7.516 11.368 28 HA GLN 5 HA GLN 5 7.375 9.215 11.087 29 HB2 GLN 5 HB2 GLN 5 6.404 7.764 8.630 30 HB3 GLN 5 HB1 GLN 5 6.388 9.495 8.941 31 HG2 GLN 5 HG2 GLN 5 8.791 7.765 8.419 32 HG3 GLN 5 HG1 GLN 5 8.114 9.004 7.364 33 HE21 GLN 5 HE21 GLN 5 8.356 11.191 7.935 34 HE22 GLN 5 HE22 GLN 5 9.588 11.703 9.031 35 HA PRO 6 HA PRO 6 3.914 6.335 12.553 36 HB2 PRO 6 HB2 PRO 6 4.146 6.786 15.214 37 HB3 PRO 6 HB1 PRO 6 5.041 5.510 14.381 38 HG2 PRO 6 HG2 PRO 6 5.958 8.238 15.205 39 HG3 PRO 6 HG1 PRO 6 6.804 6.686 15.341 40 HD2 PRO 6 HD2 PRO 6 7.319 8.469 13.363 41 HD3 PRO 6 HD1 PRO 6 7.474 6.715 13.138 42 H LYS 7 HN LYS 7 4.924 9.439 13.987 43 HA LYS 7 HA LYS 7 2.122 10.336 13.799 44 HB2 LYS 7 HB2 LYS 7 3.483 10.128 16.097 45 HB3 LYS 7 HB1 LYS 7 4.009 11.736 15.619 46 HG2 LYS 7 HG2 LYS 7 1.114 10.946 15.757 47 HG3 LYS 7 HG1 LYS 7 1.996 11.622 17.128 48 HD2 LYS 7 HD2 LYS 7 2.401 13.660 15.967 49 HD3 LYS 7 HD1 LYS 7 1.826 12.977 14.444 50 HE2 LYS 7 HE2 LYS 7 -0.416 12.922 15.214 51 HE3 LYS 7 HE1 LYS 7 0.075 13.258 16.874 52 HZ1 LYS 7 HZ1 LYS 7 0.458 15.463 16.408 53 HZ2 LYS 7 HZ2 LYS 7 -0.877 15.148 15.418 54 HZ3 LYS 7 HZ3 LYS 7 0.676 15.204 14.750 55 H LYS 8 HN LYS 8 1.966 11.518 11.997 56 HA LYS 8 HA LYS 8 3.221 14.029 11.786 57 HB2 LYS 8 HB2 LYS 8 4.533 11.762 10.417 58 HB3 LYS 8 HB1 LYS 8 4.290 13.201 9.436 59 HG2 LYS 8 HG2 LYS 8 5.312 14.327 11.649 60 HG3 LYS 8 HG1 LYS 8 6.090 12.745 11.722 61 HD2 LYS 8 HD2 LYS 8 7.546 14.162 10.496 62 HD3 LYS 8 HD1 LYS 8 6.771 13.098 9.320 63 HE2 LYS 8 HE2 LYS 8 6.831 15.377 8.487 64 HE3 LYS 8 HE1 LYS 8 5.167 14.876 8.786 65 HZ1 LYS 8 HZ1 LYS 8 5.702 17.147 9.576 66 HZ2 LYS 8 HZ2 LYS 8 6.779 16.477 10.695 67 HZ3 LYS 8 HZ3 LYS 8 5.128 16.127 10.798 68 HA PRO 9 HA PRO 9 -0.275 14.892 9.257 69 HB2 PRO 9 HB2 PRO 9 1.620 16.338 7.464 70 HB3 PRO 9 HB1 PRO 9 0.116 16.902 8.202 71 HG2 PRO 9 HG2 PRO 9 2.472 17.682 9.163 72 HG3 PRO 9 HG1 PRO 9 1.122 17.313 10.252 73 HD2 PRO 9 HD2 PRO 9 3.557 15.703 9.635 74 HD3 PRO 9 HD1 PRO 9 2.667 15.866 11.163 75 H VAL 10 HN VAL 10 -0.872 14.957 6.800 76 HA VAL 10 HA VAL 10 0.618 12.941 5.288 77 HB VAL 10 HB VAL 10 -1.266 11.583 4.819 78 HG11 VAL 10 HG11 VAL 10 -1.795 12.053 7.706 79 HG12 VAL 10 HG12 VAL 10 -0.165 11.592 7.215 80 HG13 VAL 10 HG13 VAL 10 -1.530 10.543 6.834 81 HG21 VAL 10 HG21 VAL 10 -3.506 12.182 5.979 82 HG22 VAL 10 HG22 VAL 10 -3.068 12.996 4.477 83 HG23 VAL 10 HG23 VAL 10 -2.850 13.819 6.021 84 HA PRO 11 HA PRO 11 -0.314 15.556 1.859 85 HB2 PRO 11 HB2 PRO 11 -0.193 13.831 -0.204 86 HB3 PRO 11 HB1 PRO 11 1.242 14.283 0.724 87 HG2 PRO 11 HG2 PRO 11 -0.449 11.821 0.929 88 HG3 PRO 11 HG1 PRO 11 1.318 11.971 0.960 89 HD2 PRO 11 HD2 PRO 11 -0.209 11.692 3.207 90 HD3 PRO 11 HD1 PRO 11 1.353 12.532 3.186 91 H ALA 12 HN ALA 12 -1.640 15.180 -0.429 92 HA ALA 12 HA ALA 12 -4.282 14.089 0.200 93 HB1 ALA 12 HB1 ALA 12 -5.398 16.133 -0.573 94 HB2 ALA 12 HB2 ALA 12 -3.829 16.922 -0.733 95 HB3 ALA 12 HB3 ALA 12 -4.409 16.426 0.858 96 H ALA 13 HN ALA 13 -4.870 12.811 -1.415 97 HA ALA 13 HA ALA 13 -4.664 13.653 -4.156 98 HB1 ALA 13 HB1 ALA 13 -2.381 12.726 -3.597 99 HB2 ALA 13 HB2 ALA 13 -3.198 11.989 -4.975 100 HB3 ALA 13 HB3 ALA 13 -3.160 11.153 -3.423 101 H GLU 14 HN GLU 14 -5.657 12.084 -5.645 102 HA GLU 14 HA GLU 14 -6.979 9.763 -4.803 103 HB2 GLU 14 HB2 GLU 14 -9.346 10.701 -4.901 104 HB3 GLU 14 HB1 GLU 14 -8.424 11.040 -3.443 105 HG2 GLU 14 HG2 GLU 14 -8.275 13.264 -3.882 106 HG3 GLU 14 HG1 GLU 14 -8.313 13.035 -5.630 107 H GLU 15 HN GLU 15 -8.918 9.291 -6.399 108 HA GLU 15 HA GLU 15 -9.671 9.033 -8.535 109 HB2 GLU 15 HB2 GLU 15 -7.952 11.351 -9.399 110 HB3 GLU 15 HB1 GLU 15 -9.431 10.756 -10.141 111 HG2 GLU 15 HG2 GLU 15 -10.624 11.454 -8.032 112 HG3 GLU 15 HG1 GLU 15 -9.135 12.277 -7.569 113 H ALA 16 HN ALA 16 -8.532 7.066 -8.606 114 HA ALA 16 HA ALA 16 -5.846 6.729 -9.231 115 HB1 ALA 16 HB1 ALA 16 -6.328 4.550 -9.128 116 HB2 ALA 16 HB2 ALA 16 -7.561 4.672 -10.383 117 HB3 ALA 16 HB3 ALA 16 -7.963 5.061 -8.710 118 HA PRO 17 HA PRO 17 -5.388 7.495 -13.547 119 HB2 PRO 17 HB2 PRO 17 -3.935 5.404 -14.465 120 HB3 PRO 17 HB1 PRO 17 -3.254 6.643 -13.404 121 HG2 PRO 17 HG2 PRO 17 -4.261 3.908 -12.720 122 HG3 PRO 17 HG1 PRO 17 -2.800 4.737 -12.151 123 HD2 PRO 17 HD2 PRO 17 -5.072 4.587 -10.675 124 HD3 PRO 17 HD1 PRO 17 -3.956 5.964 -10.582 125 H ALA 18 HN ALA 18 -5.741 6.628 -15.782 126 HA ALA 18 HA ALA 18 -8.081 4.845 -15.786 127 HB1 ALA 18 HB1 ALA 18 -8.003 7.339 -16.724 128 HB2 ALA 18 HB2 ALA 18 -9.011 6.084 -17.446 129 HB3 ALA 18 HB3 ALA 18 -7.454 6.489 -18.168 130 H ALA 19 HN ALA 19 -7.257 2.831 -16.060 131 HA ALA 19 HA ALA 19 -5.227 2.367 -18.103 132 HB1 ALA 19 HB1 ALA 19 -4.633 1.125 -16.275 133 HB2 ALA 19 HB2 ALA 19 -5.577 -0.069 -17.166 134 HB3 ALA 19 HB3 ALA 19 -6.304 0.800 -15.815 135 H GLU 20 HN GLU 20 -5.967 2.183 -20.118 136 HA GLU 20 HA GLU 20 -8.606 1.427 -20.796 137 HB2 GLU 20 HB2 GLU 20 -6.660 2.703 -22.126 138 HB3 GLU 20 HB1 GLU 20 -6.444 1.096 -22.806 139 HG2 GLU 20 HG2 GLU 20 -8.375 1.174 -23.963 140 HG3 GLU 20 HG1 GLU 20 -9.212 2.102 -22.720 141 H ALA 21 HN ALA 21 -5.567 -0.343 -20.616 142 HA ALA 21 HA ALA 21 -7.072 -2.846 -20.718 143 HB1 ALA 21 HB1 ALA 21 -5.829 -3.829 -22.423 144 HB2 ALA 21 HB2 ALA 21 -4.556 -2.613 -22.328 145 HB3 ALA 21 HB3 ALA 21 -6.123 -2.196 -23.020 146 H GLU 22 HN GLU 22 -6.310 -4.377 -19.358 147 HA GLU 22 HA GLU 22 -3.625 -4.070 -18.233 148 HB2 GLU 22 HB2 GLU 22 -4.648 -4.603 -15.951 149 HB3 GLU 22 HB1 GLU 22 -4.865 -2.970 -16.566 150 HG2 GLU 22 HG2 GLU 22 -7.110 -3.265 -16.954 151 HG3 GLU 22 HG1 GLU 22 -6.965 -5.017 -17.088 152 H ALA 23 HN ALA 23 -2.784 -5.990 -17.256 153 HA ALA 23 HA ALA 23 -4.289 -8.450 -17.806 154 HB1 ALA 23 HB1 ALA 23 -2.513 -7.746 -19.602 155 HB2 ALA 23 HB2 ALA 23 -2.654 -9.427 -19.087 156 HB3 ALA 23 HB3 ALA 23 -1.374 -8.407 -18.429 157 H GLU 24 HN GLU 24 -2.465 -10.314 -17.057 158 HA GLU 24 HA GLU 24 -1.539 -9.544 -14.384 159 HB2 GLU 24 HB2 GLU 24 -3.216 -11.992 -14.967 160 HB3 GLU 24 HB1 GLU 24 -2.505 -11.580 -13.412 161 HG2 GLU 24 HG2 GLU 24 -4.361 -9.667 -14.753 162 HG3 GLU 24 HG1 GLU 24 -5.001 -11.059 -13.879 163 H GLU 25 HN GLU 25 0.388 -10.385 -13.842 164 HA GLU 25 HA GLU 25 1.372 -12.779 -15.171 165 HB2 GLU 25 HB2 GLU 25 2.002 -10.444 -16.345 166 HB3 GLU 25 HB1 GLU 25 3.293 -10.519 -15.154 167 HG2 GLU 25 HG2 GLU 25 3.543 -12.970 -16.093 168 HG3 GLU 25 HG1 GLU 25 2.774 -12.250 -17.507 169 H GLU 26 HN GLU 26 2.433 -10.088 -13.082 170 HA GLU 26 HA GLU 26 4.281 -11.570 -11.587 171 HB2 GLU 26 HB2 GLU 26 2.708 -9.234 -10.513 172 HB3 GLU 26 HB1 GLU 26 4.336 -9.735 -10.077 173 HG2 GLU 26 HG2 GLU 26 4.976 -8.111 -11.466 174 HG3 GLU 26 HG1 GLU 26 4.621 -9.282 -12.735 175 H GLU 27 HN GLU 27 4.117 -12.888 -9.864 176 HA GLU 27 HA GLU 27 3.200 -14.252 -8.293 177 HB2 GLU 27 HB2 GLU 27 2.561 -11.878 -7.437 178 HB3 GLU 27 HB1 GLU 27 0.937 -12.309 -7.956 179 HG2 GLU 27 HG2 GLU 27 0.736 -13.989 -6.376 180 HG3 GLU 27 HG1 GLU 27 2.480 -14.127 -6.156 181 H GLY 28 HN GLY 28 1.114 -15.453 -7.685 182 HA2 GLY 28 HA2 GLY 28 -0.197 -16.199 -10.202 183 HA3 GLY 28 HA1 GLY 28 -0.116 -17.187 -8.752 184 H LEU 29 HN LEU 29 -0.979 -13.811 -8.619 185 HA LEU 29 HA LEU 29 -3.691 -14.604 -7.811 186 HB2 LEU 29 HB2 LEU 29 -1.787 -12.589 -6.873 187 HB3 LEU 29 HB1 LEU 29 -3.408 -11.959 -7.097 188 HG LEU 29 HG LEU 29 -3.193 -12.646 -4.820 189 HD11 LEU 29 HD11 LEU 29 -4.677 -15.006 -5.752 190 HD12 LEU 29 HD12 LEU 29 -5.201 -13.464 -6.431 191 HD13 LEU 29 HD13 LEU 29 -5.176 -13.695 -4.682 192 HD21 LEU 29 HD21 LEU 29 -1.415 -14.113 -4.694 193 HD22 LEU 29 HD22 LEU 29 -2.015 -15.118 -6.013 194 HD23 LEU 29 HD23 LEU 29 -2.790 -15.185 -4.431 195 H HIS 30 HN HIS 30 -5.105 -12.343 -8.074 196 HA HIS 30 HA HIS 30 -4.738 -10.996 -10.551 197 HB2 HIS 30 HB2 HIS 30 -6.619 -11.953 -11.785 198 HB3 HIS 30 HB1 HIS 30 -5.417 -13.191 -11.435 199 HD1 HIS 30 HD1 HIS 30 -8.046 -14.312 -12.072 200 HD2 HIS 30 HD2 HIS 30 -7.127 -13.046 -8.223 201 HE1 HIS 30 HE1 HIS 30 -9.648 -15.529 -10.564 202 HE2 HIS 30 HE2 HIS 30 -9.130 -14.682 -8.248 203 H LEU 31 HN LEU 31 -7.160 -10.119 -11.199 204 HA LEU 31 HA LEU 31 -8.760 -9.492 -8.890 205 HB2 LEU 31 HB2 LEU 31 -6.687 -7.915 -8.959 206 HB3 LEU 31 HB1 LEU 31 -7.542 -7.130 -10.273 207 HG LEU 31 HG LEU 31 -9.513 -7.118 -8.478 208 HD11 LEU 31 HD11 LEU 31 -7.175 -6.687 -6.671 209 HD12 LEU 31 HD12 LEU 31 -7.839 -8.306 -6.887 210 HD13 LEU 31 HD13 LEU 31 -8.862 -7.009 -6.268 211 HD21 LEU 31 HD21 LEU 31 -8.759 -4.840 -7.845 212 HD22 LEU 31 HD22 LEU 31 -8.691 -5.147 -9.580 213 HD23 LEU 31 HD23 LEU 31 -7.212 -5.176 -8.621 214 H GLU 32 HN GLU 32 -10.767 -8.613 -9.421 215 HA GLU 32 HA GLU 32 -11.702 -9.191 -12.036 216 HB2 GLU 32 HB2 GLU 32 -13.849 -8.344 -11.255 217 HB3 GLU 32 HB1 GLU 32 -13.125 -9.389 -10.040 218 HG2 GLU 32 HG2 GLU 32 -12.489 -7.520 -8.705 219 HG3 GLU 32 HG1 GLU 32 -12.949 -6.389 -9.977 220 H ASP 33 HN ASP 33 -12.752 -7.690 -13.501 221 HA ASP 33 HA ASP 33 -11.117 -5.472 -14.122 222 HB2 ASP 33 HB2 ASP 33 -12.814 -4.985 -15.863 223 HB3 ASP 33 HB1 ASP 33 -12.310 -6.672 -15.866 224 H ASP 34 HN ASP 34 -11.181 -4.317 -12.081 225 HA ASP 34 HA ASP 34 -13.110 -2.194 -12.141 226 HB2 ASP 34 HB2 ASP 34 -13.984 -4.325 -10.734 227 HB3 ASP 34 HB1 ASP 34 -13.073 -3.492 -9.477 228 H GLN 35 HN GLN 35 -12.766 -0.939 -9.836 229 HA GLN 35 HA GLN 35 -10.111 0.033 -9.983 230 HB2 GLN 35 HB2 GLN 35 -12.505 0.589 -8.312 231 HB3 GLN 35 HB1 GLN 35 -10.948 1.100 -7.674 232 HG2 GLN 35 HG2 GLN 35 -12.078 2.881 -8.909 233 HG3 GLN 35 HG1 GLN 35 -10.537 2.437 -9.642 234 HE21 GLN 35 HE21 GLN 35 -10.495 1.639 -11.680 235 HE22 GLN 35 HE22 GLN 35 -11.892 1.480 -12.685 236 H GLU 36 HN GLU 36 -9.072 0.430 -7.595 237 HA GLU 36 HA GLU 36 -8.495 -2.281 -6.630 238 HB2 GLU 36 HB2 GLU 36 -6.921 0.270 -6.688 239 HB3 GLU 36 HB1 GLU 36 -6.501 -0.999 -5.546 240 HG2 GLU 36 HG2 GLU 36 -5.178 -1.073 -7.622 241 HG3 GLU 36 HG1 GLU 36 -6.095 -2.550 -7.326 242 HA PRO 37 HA PRO 37 -10.991 -0.653 -3.141 243 HB2 PRO 37 HB2 PRO 37 -11.686 -3.116 -2.209 244 HB3 PRO 37 HB1 PRO 37 -12.561 -2.286 -3.501 245 HG2 PRO 37 HG2 PRO 37 -10.483 -4.433 -3.694 246 HG3 PRO 37 HG1 PRO 37 -12.002 -4.261 -4.593 247 HD2 PRO 37 HD2 PRO 37 -9.615 -3.582 -5.655 248 HD3 PRO 37 HD1 PRO 37 -11.110 -2.709 -6.051 249 H ARG 38 HN ARG 38 -10.638 -0.695 -0.889 250 HA ARG 38 HA ARG 38 -7.991 -1.717 -0.135 251 HB2 ARG 38 HB2 ARG 38 -8.040 -0.079 1.668 252 HB3 ARG 38 HB1 ARG 38 -8.348 0.704 0.124 253 HG2 ARG 38 HG2 ARG 38 -10.006 1.690 1.277 254 HG3 ARG 38 HG1 ARG 38 -10.871 0.203 0.886 255 HD2 ARG 38 HD2 ARG 38 -10.395 -0.730 3.022 256 HD3 ARG 38 HD1 ARG 38 -9.256 0.561 3.400 257 HE ARG 38 HE ARG 38 -11.012 1.829 4.106 258 HH11 ARG 38 HH11 ARG 38 -12.245 -0.693 2.032 259 HH12 ARG 38 HH12 ARG 38 -13.904 -0.292 2.321 260 HH21 ARG 38 HH21 ARG 38 -13.195 2.358 4.488 261 HH22 ARG 38 HH22 ARG 38 -14.444 1.440 3.715 262 H GLU 39 HN GLU 39 -8.070 -1.883 2.520 263 HA GLU 39 HA GLU 39 -10.270 -3.742 3.134 264 HB2 GLU 39 HB2 GLU 39 -8.537 -4.995 4.527 265 HB3 GLU 39 HB1 GLU 39 -8.428 -5.167 2.780 266 HG2 GLU 39 HG2 GLU 39 -6.449 -4.095 2.657 267 HG3 GLU 39 HG1 GLU 39 -6.839 -2.991 3.975 268 H HIS 40 HN HIS 40 -10.104 -4.261 5.650 269 HA HIS 40 HA HIS 40 -9.974 -1.648 7.005 270 HB2 HIS 40 HB2 HIS 40 -11.666 -2.582 8.576 271 HB3 HIS 40 HB1 HIS 40 -12.246 -2.471 6.917 272 HD1 HIS 40 HD1 HIS 40 -12.328 -4.780 5.572 273 HD2 HIS 40 HD2 HIS 40 -11.760 -5.087 9.677 274 HE1 HIS 40 HE1 HIS 40 -12.847 -7.173 6.146 275 HE2 HIS 40 HE2 HIS 40 -12.580 -7.313 8.647 276 HA PRO 41 HA PRO 41 -6.659 -4.119 9.015 277 HB2 PRO 41 HB2 PRO 41 -5.131 -1.968 9.663 278 HB3 PRO 41 HB1 PRO 41 -5.070 -2.749 8.079 279 HG2 PRO 41 HG2 PRO 41 -6.527 -0.270 8.914 280 HG3 PRO 41 HG1 PRO 41 -5.587 -0.573 7.441 281 HD2 PRO 41 HD2 PRO 41 -8.289 -0.683 7.485 282 HD3 PRO 41 HD1 PRO 41 -7.312 -1.716 6.422 283 H ILE 42 HN ILE 42 -5.713 -3.888 11.238 284 HA ILE 42 HA ILE 42 -7.696 -2.695 13.063 285 HB ILE 42 HB ILE 42 -7.649 -5.156 13.143 286 HG12 ILE 42 HG12 ILE 42 -6.475 -3.952 15.657 287 HG13 ILE 42 HG11 ILE 42 -8.154 -3.753 15.163 288 HG21 ILE 42 HG21 ILE 42 -4.980 -4.954 12.752 289 HG22 ILE 42 HG22 ILE 42 -5.789 -6.400 13.353 290 HG23 ILE 42 HG23 ILE 42 -5.039 -5.275 14.485 291 HD11 ILE 42 HD11 ILE 42 -7.437 -6.531 15.153 292 HD12 ILE 42 HD12 ILE 42 -8.700 -5.698 16.060 293 HD13 ILE 42 HD13 ILE 42 -7.065 -5.797 16.713 294 H MET 43 HN MET 43 -6.885 -1.945 15.138 295 HA MET 43 HA MET 43 -4.714 -0.203 14.902 296 HB2 MET 43 HB2 MET 43 -4.933 0.112 17.338 297 HB3 MET 43 HB1 MET 43 -6.488 0.171 16.518 298 HG2 MET 43 HG2 MET 43 -6.370 -2.447 17.159 299 HG3 MET 43 HG1 MET 43 -5.458 -1.743 18.493 300 HE1 MET 43 HE1 MET 43 -9.704 -2.099 17.662 301 HE2 MET 43 HE2 MET 43 -9.018 -3.025 18.997 302 HE3 MET 43 HE3 MET 43 -8.273 -3.096 17.400 303 H GLY 44 HN GLY 44 -3.025 -0.315 16.929 304 HA2 GLY 44 HA2 GLY 44 -1.769 -2.248 18.077 305 HA3 GLY 44 HA1 GLY 44 -1.537 -2.806 16.427 306 H GLY 45 HN GLY 45 0.271 -1.744 18.673 307 HA2 GLY 45 HA2 GLY 45 1.398 0.698 17.894 308 HA3 GLY 45 HA1 GLY 45 2.232 -0.558 18.797 309 H ILE 46 HN ILE 46 4.101 0.242 17.556 310 HA ILE 46 HA ILE 46 4.158 -0.437 14.732 311 HB ILE 46 HB ILE 46 6.497 0.504 16.380 312 HG12 ILE 46 HG12 ILE 46 4.698 2.098 16.748 313 HG13 ILE 46 HG11 ILE 46 5.895 2.804 15.667 314 HG21 ILE 46 HG21 ILE 46 7.113 -0.314 14.221 315 HG22 ILE 46 HG22 ILE 46 7.199 1.447 14.180 316 HG23 ILE 46 HG23 ILE 46 5.830 0.613 13.445 317 HD11 ILE 46 HD11 ILE 46 3.152 2.640 15.269 318 HD12 ILE 46 HD12 ILE 46 3.846 1.444 14.175 319 HD13 ILE 46 HD13 ILE 46 4.374 3.125 14.094 320 H TYR 47 HN TYR 47 3.657 -2.729 15.942 321 HA TYR 47 HA TYR 47 5.819 -4.389 15.225 322 HB2 TYR 47 HB2 TYR 47 6.550 -3.406 17.497 323 HB3 TYR 47 HB1 TYR 47 5.310 -4.447 18.188 324 HD1 TYR 47 HD2 TYR 47 8.193 -4.665 15.817 325 HD2 TYR 47 HD1 TYR 47 5.950 -6.545 18.904 326 HE1 TYR 47 HE2 TYR 47 9.780 -6.543 15.818 327 HE2 TYR 47 HE1 TYR 47 7.531 -8.428 18.915 328 HH TYR 47 HH TYR 47 9.864 -8.883 16.466 329 H ASP 48 HN ASP 48 2.995 -4.158 14.772 330 HA ASP 48 HA ASP 48 2.255 -6.906 15.313 331 HB2 ASP 48 HB2 ASP 48 0.948 -4.586 16.624 332 HB3 ASP 48 HB1 ASP 48 -0.116 -5.840 15.996 333 H ALA 49 HN ALA 49 1.574 -7.687 13.440 334 HA ALA 49 HA ALA 49 -0.457 -6.406 11.899 335 HB1 ALA 49 HB1 ALA 49 2.376 -6.146 11.061 336 HB2 ALA 49 HB2 ALA 49 1.020 -5.042 10.833 337 HB3 ALA 49 HB3 ALA 49 1.177 -6.470 9.810 338 HA PRO 50 HA PRO 50 0.093 -11.122 11.765 339 HB2 PRO 50 HB2 PRO 50 -2.844 -10.792 12.135 340 HB3 PRO 50 HB1 PRO 50 -1.742 -11.963 12.868 341 HG2 PRO 50 HG2 PRO 50 -2.663 -9.901 14.277 342 HG3 PRO 50 HG1 PRO 50 -0.989 -10.456 14.462 343 HD2 PRO 50 HD2 PRO 50 -2.047 -8.068 13.018 344 HD3 PRO 50 HD1 PRO 50 -0.545 -8.253 13.946 345 H LEU 51 HN LEU 51 -2.018 -8.765 10.266 346 HA LEU 51 HA LEU 51 -2.931 -8.596 8.192 347 HB2 LEU 51 HB2 LEU 51 -0.349 -9.314 7.833 348 HB3 LEU 51 HB1 LEU 51 -1.151 -10.638 7.012 349 HG LEU 51 HG LEU 51 -2.004 -7.867 6.335 350 HD11 LEU 51 HD11 LEU 51 -0.115 -7.216 5.341 351 HD12 LEU 51 HD12 LEU 51 0.199 -8.823 4.685 352 HD13 LEU 51 HD13 LEU 51 0.682 -8.434 6.336 353 HD21 LEU 51 HD21 LEU 51 -3.188 -9.662 5.301 354 HD22 LEU 51 HD22 LEU 51 -1.686 -10.459 4.834 355 HD23 LEU 51 HD23 LEU 51 -2.147 -8.934 4.078 356 H ASN 52 HN ASN 52 -4.725 -9.818 9.318 357 HA ASN 52 HA ASN 52 -5.160 -12.552 8.959 358 HB2 ASN 52 HB2 ASN 52 -7.589 -11.974 9.256 359 HB3 ASN 52 HB1 ASN 52 -6.527 -11.334 10.507 360 HD21 ASN 52 HD21 ASN 52 -6.548 -9.221 10.901 361 HD22 ASN 52 HD22 ASN 52 -7.376 -8.038 9.952 362 H ASN 53 HN ASN 53 -5.659 -9.847 6.802 363 HA ASN 53 HA ASN 53 -7.053 -11.500 4.854 364 HB2 ASN 53 HB2 ASN 53 -7.248 -9.429 3.548 365 HB3 ASN 53 HB1 ASN 53 -7.815 -9.192 5.198 366 HD21 ASN 53 HD21 ASN 53 -6.686 -7.860 6.572 367 HD22 ASN 53 HD22 ASN 53 -5.426 -6.808 6.031 368 H GLU 54 HN GLU 54 -4.697 -12.645 5.197 369 HA GLU 54 HA GLU 54 -2.824 -11.616 3.209 370 HB2 GLU 54 HB2 GLU 54 -1.282 -13.302 4.047 371 HB3 GLU 54 HB1 GLU 54 -1.943 -12.366 5.380 372 HG2 GLU 54 HG2 GLU 54 -2.968 -14.139 6.291 373 HG3 GLU 54 HG1 GLU 54 -3.430 -14.809 4.727 374 H ASN 55 HN ASN 55 -5.525 -13.034 2.711 375 HA ASN 55 HA ASN 55 -5.075 -15.534 1.556 376 HB2 ASN 55 HB2 ASN 55 -7.158 -15.083 0.261 377 HB3 ASN 55 HB1 ASN 55 -7.324 -14.757 1.984 378 HD21 ASN 55 HD21 ASN 55 -8.195 -13.655 -0.905 379 HD22 ASN 55 HD22 ASN 55 -8.320 -11.963 -0.582 380 H GLY 56 HN GLY 56 -4.494 -12.313 0.342 381 HA2 GLY 56 HA2 GLY 56 -2.632 -12.303 -1.346 382 HA3 GLY 56 HA1 GLY 56 -3.595 -13.486 -2.217 383 H PHE 57 HN PHE 57 -6.124 -12.387 -1.983 384 HA PHE 57 HA PHE 57 -6.085 -10.463 -4.050 385 HB2 PHE 57 HB2 PHE 57 -7.960 -12.149 -3.186 386 HB3 PHE 57 HB1 PHE 57 -8.491 -10.717 -2.310 387 HD1 PHE 57 HD1 PHE 57 -7.797 -12.066 -5.678 388 HD2 PHE 57 HD2 PHE 57 -9.631 -8.974 -3.401 389 HE1 PHE 57 HE1 PHE 57 -8.939 -11.257 -7.702 390 HE2 PHE 57 HE2 PHE 57 -10.777 -8.160 -5.420 391 HZ PHE 57 HZ PHE 57 -10.432 -9.303 -7.575 392 H ASP 58 HN ASP 58 -6.630 -10.203 -0.560 393 HA ASP 58 HA ASP 58 -7.206 -7.430 -0.560 394 HB2 ASP 58 HB2 ASP 58 -7.716 -9.121 1.279 395 HB3 ASP 58 HB1 ASP 58 -6.027 -8.967 1.752 396 H LYS 59 HN LYS 59 -4.243 -9.222 0.282 397 HA LYS 59 HA LYS 59 -2.625 -7.016 0.814 398 HB2 LYS 59 HB2 LYS 59 -0.766 -8.490 0.645 399 HB3 LYS 59 HB1 LYS 59 -2.101 -9.438 1.285 400 HG2 LYS 59 HG2 LYS 59 -2.493 -10.405 -0.908 401 HG3 LYS 59 HG1 LYS 59 -1.194 -9.421 -1.586 402 HD2 LYS 59 HD2 LYS 59 -0.051 -10.722 0.603 403 HD3 LYS 59 HD1 LYS 59 -1.055 -11.943 -0.180 404 HE2 LYS 59 HE2 LYS 59 0.134 -10.821 -2.332 405 HE3 LYS 59 HE1 LYS 59 1.398 -10.612 -1.121 406 HZ1 LYS 59 HZ1 LYS 59 0.967 -13.079 -0.628 407 HZ2 LYS 59 HZ2 LYS 59 1.845 -12.681 -2.017 408 HZ3 LYS 59 HZ3 LYS 59 0.215 -13.112 -2.143 409 H GLU 60 HN GLU 60 -3.277 -8.684 -2.234 410 HA GLU 60 HA GLU 60 -1.428 -7.209 -3.789 411 HB2 GLU 60 HB2 GLU 60 -3.798 -8.935 -4.411 412 HB3 GLU 60 HB1 GLU 60 -3.043 -7.995 -5.690 413 HG2 GLU 60 HG2 GLU 60 -0.886 -9.184 -4.530 414 HG3 GLU 60 HG1 GLU 60 -2.129 -10.420 -4.343 415 H ASP 61 HN ASP 61 -4.895 -6.824 -3.162 416 HA ASP 61 HA ASP 61 -5.382 -4.696 -4.904 417 HB2 ASP 61 HB2 ASP 61 -6.697 -5.782 -2.469 418 HB3 ASP 61 HB1 ASP 61 -7.149 -4.153 -2.963 419 H LEU 62 HN LEU 62 -4.370 -4.677 -1.503 420 HA LEU 62 HA LEU 62 -4.347 -1.864 -1.221 421 HB2 LEU 62 HB2 LEU 62 -4.430 -3.280 0.721 422 HB3 LEU 62 HB1 LEU 62 -2.910 -4.039 0.292 423 HG LEU 62 HG LEU 62 -1.653 -2.150 0.912 424 HD11 LEU 62 HD11 LEU 62 -2.561 0.026 1.388 425 HD12 LEU 62 HD12 LEU 62 -4.205 -0.567 1.157 426 HD13 LEU 62 HD13 LEU 62 -3.097 -0.483 -0.213 427 HD21 LEU 62 HD21 LEU 62 -2.599 -1.566 3.209 428 HD22 LEU 62 HD22 LEU 62 -2.270 -3.266 2.874 429 HD23 LEU 62 HD23 LEU 62 -3.924 -2.657 2.804 430 H ALA 63 HN ALA 63 -1.677 -4.176 -1.729 431 HA ALA 63 HA ALA 63 0.420 -2.388 -1.891 432 HB1 ALA 63 HB1 ALA 63 0.708 -4.818 -1.850 433 HB2 ALA 63 HB2 ALA 63 1.603 -4.085 -3.181 434 HB3 ALA 63 HB3 ALA 63 0.082 -4.920 -3.496 435 H ARG 64 HN ARG 64 -1.511 -3.644 -4.616 436 HA ARG 64 HA ARG 64 -0.313 -2.041 -6.589 437 HB2 ARG 64 HB2 ARG 64 -1.967 -4.106 -6.728 438 HB3 ARG 64 HB1 ARG 64 -3.179 -2.837 -6.840 439 HG2 ARG 64 HG2 ARG 64 -0.789 -3.065 -8.656 440 HG3 ARG 64 HG1 ARG 64 -2.398 -3.687 -9.032 441 HD2 ARG 64 HD2 ARG 64 -3.069 -1.189 -8.401 442 HD3 ARG 64 HD1 ARG 64 -1.411 -0.891 -8.920 443 HE ARG 64 HE ARG 64 -3.648 -1.559 -10.580 444 HH11 ARG 64 HH11 ARG 64 -0.174 -1.739 -10.299 445 HH12 ARG 64 HH12 ARG 64 0.084 -1.837 -12.008 446 HH21 ARG 64 HH21 ARG 64 -3.310 -1.689 -12.829 447 HH22 ARG 64 HH22 ARG 64 -1.696 -1.809 -13.445 448 H PHE 65 HN PHE 65 -3.082 -1.514 -4.479 449 HA PHE 65 HA PHE 65 -4.106 0.800 -5.663 450 HB2 PHE 65 HB2 PHE 65 -5.313 -0.434 -3.932 451 HB3 PHE 65 HB1 PHE 65 -4.089 -0.001 -2.744 452 HD1 PHE 65 HD2 PHE 65 -6.367 1.669 -5.184 453 HD2 PHE 65 HD1 PHE 65 -4.556 1.741 -1.335 454 HE1 PHE 65 HE2 PHE 65 -7.632 3.706 -4.632 455 HE2 PHE 65 HE1 PHE 65 -5.818 3.778 -0.774 456 HZ PHE 65 HZ PHE 65 -7.358 4.763 -2.424 457 H ALA 66 HN ALA 66 -1.902 0.558 -2.863 458 HA ALA 66 HA ALA 66 -1.387 3.289 -2.606 459 HB1 ALA 66 HB1 ALA 66 -0.590 2.248 -0.770 460 HB2 ALA 66 HB2 ALA 66 0.915 2.224 -1.689 461 HB3 ALA 66 HB3 ALA 66 -0.125 0.800 -1.661 462 H VAL 67 HN VAL 67 0.579 0.805 -4.249 463 HA VAL 67 HA VAL 67 2.595 2.415 -5.225 464 HB VAL 67 HB VAL 67 1.346 0.088 -6.696 465 HG11 VAL 67 HG11 VAL 67 2.826 1.316 -8.133 466 HG12 VAL 67 HG12 VAL 67 3.633 -0.171 -7.636 467 HG13 VAL 67 HG13 VAL 67 4.071 1.364 -6.885 468 HG21 VAL 67 HG21 VAL 67 2.392 0.014 -4.173 469 HG22 VAL 67 HG22 VAL 67 3.796 -0.377 -5.166 470 HG23 VAL 67 HG23 VAL 67 2.330 -1.351 -5.288 471 H ARG 68 HN ARG 68 -0.469 1.592 -6.839 472 HA ARG 68 HA ARG 68 -0.025 3.241 -9.095 473 HB2 ARG 68 HB2 ARG 68 -1.597 1.422 -9.229 474 HB3 ARG 68 HB1 ARG 68 -2.559 2.090 -7.918 475 HG2 ARG 68 HG2 ARG 68 -3.258 3.928 -9.286 476 HG3 ARG 68 HG1 ARG 68 -2.151 3.448 -10.574 477 HD2 ARG 68 HD2 ARG 68 -3.958 2.419 -11.426 478 HD3 ARG 68 HD1 ARG 68 -3.576 1.168 -10.244 479 HE ARG 68 HE ARG 68 -5.170 2.850 -8.856 480 HH11 ARG 68 HH11 ARG 68 -5.505 1.269 -11.950 481 HH12 ARG 68 HH12 ARG 68 -7.231 1.171 -11.853 482 HH21 ARG 68 HH21 ARG 68 -7.440 2.721 -8.728 483 HH22 ARG 68 HH22 ARG 68 -8.330 1.995 -10.025 484 H GLU 69 HN GLU 69 -1.294 3.835 -5.909 485 HA GLU 69 HA GLU 69 -2.665 6.244 -6.442 486 HB2 GLU 69 HB2 GLU 69 -2.054 4.649 -4.169 487 HB3 GLU 69 HB1 GLU 69 -1.554 6.295 -3.808 488 HG2 GLU 69 HG2 GLU 69 -4.215 5.981 -5.038 489 HG3 GLU 69 HG1 GLU 69 -4.030 5.369 -3.395 490 H TYR 70 HN TYR 70 0.671 5.552 -5.483 491 HA TYR 70 HA TYR 70 1.348 8.379 -5.561 492 HB2 TYR 70 HB2 TYR 70 3.246 7.842 -4.397 493 HB3 TYR 70 HB1 TYR 70 2.245 6.468 -3.945 494 HD1 TYR 70 HD2 TYR 70 5.000 7.563 -6.151 495 HD2 TYR 70 HD1 TYR 70 2.841 4.255 -4.574 496 HE1 TYR 70 HE2 TYR 70 6.716 6.035 -7.025 497 HE2 TYR 70 HE1 TYR 70 4.551 2.717 -5.444 498 HH TYR 70 HH TYR 70 6.985 3.725 -7.640 499 H ASN 71 HN ASN 71 1.394 5.671 -7.650 500 HA ASN 71 HA ASN 71 3.500 6.684 -9.353 501 HB2 ASN 71 HB2 ASN 71 1.741 4.266 -9.354 502 HB3 ASN 71 HB1 ASN 71 2.542 4.739 -10.850 503 HD21 ASN 71 HD21 ASN 71 4.919 5.163 -10.628 504 HD22 ASN 71 HD22 ASN 71 5.818 4.080 -9.627 505 H ASN 72 HN ASN 72 0.033 6.862 -9.177 506 HA ASN 72 HA ASN 72 -0.274 7.711 -11.919 507 HB2 ASN 72 HB2 ASN 72 -2.571 7.688 -11.544 508 HB3 ASN 72 HB1 ASN 72 -1.997 6.450 -10.434 509 HD21 ASN 72 HD21 ASN 72 -2.025 6.848 -8.223 510 HD22 ASN 72 HD22 ASN 72 -2.941 8.139 -7.534 511 H LYS 73 HN LYS 73 -0.072 9.221 -8.758 512 HA LYS 73 HA LYS 73 -0.981 11.763 -9.304 513 HB2 LYS 73 HB2 LYS 73 0.824 12.479 -7.585 514 HB3 LYS 73 HB1 LYS 73 -0.471 11.407 -7.072 515 HG2 LYS 73 HG2 LYS 73 0.958 9.514 -7.136 516 HG3 LYS 73 HG1 LYS 73 2.235 10.427 -7.942 517 HD2 LYS 73 HD2 LYS 73 1.869 11.928 -5.720 518 HD3 LYS 73 HD1 LYS 73 1.482 10.323 -5.096 519 HE2 LYS 73 HE2 LYS 73 3.605 9.545 -5.392 520 HE3 LYS 73 HE1 LYS 73 3.916 10.599 -6.771 521 HZ1 LYS 73 HZ1 LYS 73 4.021 11.267 -3.893 522 HZ2 LYS 73 HZ2 LYS 73 3.898 12.469 -5.076 523 HZ3 LYS 73 HZ3 LYS 73 5.236 11.435 -5.059 524 H ASN 74 HN ASN 74 2.255 10.439 -9.916 525 HA ASN 74 HA ASN 74 2.705 12.059 -12.160 526 HB2 ASN 74 HB2 ASN 74 4.218 13.720 -11.398 527 HB3 ASN 74 HB1 ASN 74 2.839 13.796 -10.307 528 HD21 ASN 74 HD21 ASN 74 3.147 12.131 -8.405 529 HD22 ASN 74 HD22 ASN 74 4.667 12.263 -7.595 530 H ASN 75 HN ASN 75 4.154 10.296 -9.479 531 HA ASN 75 HA ASN 75 6.665 9.746 -10.390 532 HB2 ASN 75 HB2 ASN 75 5.066 8.779 -8.364 533 HB3 ASN 75 HB1 ASN 75 5.360 7.344 -9.342 534 HD21 ASN 75 HD21 ASN 75 7.417 6.513 -9.493 535 HD22 ASN 75 HD22 ASN 75 8.707 7.020 -8.462 536 H ALA 76 HN ALA 76 7.480 7.587 -11.247 537 HA ALA 76 HA ALA 76 6.672 7.264 -13.895 538 HB1 ALA 76 HB1 ALA 76 8.846 6.528 -12.566 539 HB2 ALA 76 HB2 ALA 76 8.373 5.764 -14.083 540 HB3 ALA 76 HB3 ALA 76 8.001 4.980 -12.548 541 H LEU 77 HN LEU 77 6.433 4.625 -14.479 542 HA LEU 77 HA LEU 77 3.948 3.803 -13.128 543 HB2 LEU 77 HB2 LEU 77 4.129 4.711 -15.721 544 HB3 LEU 77 HB1 LEU 77 4.195 2.971 -15.922 545 HG LEU 77 HG LEU 77 1.915 3.657 -16.133 546 HD11 LEU 77 HD11 LEU 77 2.577 2.284 -13.549 547 HD12 LEU 77 HD12 LEU 77 2.016 1.580 -15.066 548 HD13 LEU 77 HD13 LEU 77 0.910 2.527 -14.071 549 HD21 LEU 77 HD21 LEU 77 2.013 5.802 -15.037 550 HD22 LEU 77 HD22 LEU 77 2.296 5.031 -13.476 551 HD23 LEU 77 HD23 LEU 77 0.746 4.826 -14.293 552 H LEU 78 HN LEU 78 4.997 2.299 -11.832 553 HA LEU 78 HA LEU 78 6.345 0.087 -13.227 554 HB2 LEU 78 HB2 LEU 78 6.959 -0.456 -10.715 555 HB3 LEU 78 HB1 LEU 78 7.885 0.692 -11.662 556 HG LEU 78 HG LEU 78 6.572 2.538 -10.634 557 HD11 LEU 78 HD11 LEU 78 5.216 0.230 -9.364 558 HD12 LEU 78 HD12 LEU 78 4.567 1.786 -9.880 559 HD13 LEU 78 HD13 LEU 78 5.482 1.667 -8.377 560 HD21 LEU 78 HD21 LEU 78 8.391 0.724 -9.193 561 HD22 LEU 78 HD22 LEU 78 7.502 1.874 -8.194 562 HD23 LEU 78 HD23 LEU 78 8.524 2.454 -9.510 563 H GLU 79 HN GLU 79 6.111 -1.994 -11.604 564 HA GLU 79 HA GLU 79 3.275 -2.296 -10.927 565 HB2 GLU 79 HB2 GLU 79 3.292 -4.544 -12.057 566 HB3 GLU 79 HB1 GLU 79 3.346 -3.163 -13.144 567 HG2 GLU 79 HG2 GLU 79 5.929 -3.537 -13.008 568 HG3 GLU 79 HG1 GLU 79 5.458 -5.161 -12.508 569 H PHE 80 HN PHE 80 2.924 -3.427 -9.114 570 HA PHE 80 HA PHE 80 5.214 -4.383 -7.633 571 HB2 PHE 80 HB2 PHE 80 3.937 -4.115 -5.773 572 HB3 PHE 80 HB1 PHE 80 2.947 -3.135 -6.847 573 HD1 PHE 80 HD1 PHE 80 0.937 -4.202 -7.938 574 HD2 PHE 80 HD2 PHE 80 3.087 -6.039 -4.758 575 HE1 PHE 80 HE1 PHE 80 -0.988 -5.666 -7.488 576 HE2 PHE 80 HE2 PHE 80 1.165 -7.508 -4.302 577 HZ PHE 80 HZ PHE 80 -0.875 -7.322 -5.670 578 H VAL 81 HN VAL 81 5.479 -6.503 -6.829 579 HA VAL 81 HA VAL 81 4.157 -8.538 -8.484 580 HB VAL 81 HB VAL 81 6.032 -10.026 -7.861 581 HG11 VAL 81 HG11 VAL 81 6.880 -7.403 -9.084 582 HG12 VAL 81 HG12 VAL 81 6.100 -8.737 -9.935 583 HG13 VAL 81 HG13 VAL 81 7.715 -8.946 -9.259 584 HG21 VAL 81 HG21 VAL 81 7.231 -9.524 -6.054 585 HG22 VAL 81 HG22 VAL 81 6.595 -7.881 -6.009 586 HG23 VAL 81 HG23 VAL 81 8.001 -8.253 -7.003 587 H ARG 82 HN ARG 82 4.894 -7.646 -5.165 588 HA ARG 82 HA ARG 82 2.671 -8.821 -4.033 589 HB2 ARG 82 HB2 ARG 82 3.647 -10.803 -2.898 590 HB3 ARG 82 HB1 ARG 82 3.517 -10.988 -4.642 591 HG2 ARG 82 HG2 ARG 82 5.948 -10.149 -4.675 592 HG3 ARG 82 HG1 ARG 82 5.947 -10.578 -2.966 593 HD2 ARG 82 HD2 ARG 82 6.176 -12.741 -3.443 594 HD3 ARG 82 HD1 ARG 82 4.794 -12.697 -4.536 595 HE ARG 82 HE ARG 82 7.580 -12.580 -5.249 596 HH11 ARG 82 HH11 ARG 82 4.323 -11.837 -6.261 597 HH12 ARG 82 HH12 ARG 82 4.714 -11.839 -7.948 598 HH21 ARG 82 HH21 ARG 82 8.095 -12.582 -7.467 599 HH22 ARG 82 HH22 ARG 82 6.854 -12.262 -8.633 600 H VAL 83 HN VAL 83 2.790 -8.936 -1.630 601 HA VAL 83 HA VAL 83 4.497 -6.798 -0.664 602 HB VAL 83 HB VAL 83 3.137 -6.752 1.296 603 HG11 VAL 83 HG11 VAL 83 1.968 -6.688 -1.344 604 HG12 VAL 83 HG12 VAL 83 1.705 -5.615 0.031 605 HG13 VAL 83 HG13 VAL 83 0.769 -7.102 -0.119 606 HG21 VAL 83 HG21 VAL 83 2.246 -9.460 0.395 607 HG22 VAL 83 HG22 VAL 83 1.199 -8.479 1.420 608 HG23 VAL 83 HG23 VAL 83 2.808 -8.936 1.982 609 H VAL 84 HN VAL 84 6.047 -6.981 0.904 610 HA VAL 84 HA VAL 84 6.789 -9.725 1.680 611 HB VAL 84 HB VAL 84 8.431 -8.716 0.172 612 HG11 VAL 84 HG11 VAL 84 9.521 -6.765 2.010 613 HG12 VAL 84 HG12 VAL 84 7.870 -6.365 1.535 614 HG13 VAL 84 HG13 VAL 84 9.110 -6.601 0.303 615 HG21 VAL 84 HG21 VAL 84 10.406 -9.131 1.493 616 HG22 VAL 84 HG22 VAL 84 9.147 -10.275 1.957 617 HG23 VAL 84 HG23 VAL 84 9.500 -8.888 2.987 618 H LYS 85 HN LYS 85 5.801 -6.678 2.831 619 HA LYS 85 HA LYS 85 6.234 -7.561 5.570 620 HB2 LYS 85 HB2 LYS 85 7.020 -4.751 4.866 621 HB3 LYS 85 HB1 LYS 85 7.410 -5.675 6.309 622 HG2 LYS 85 HG2 LYS 85 8.796 -7.172 4.811 623 HG3 LYS 85 HG1 LYS 85 8.581 -5.946 3.560 624 HD2 LYS 85 HD2 LYS 85 9.521 -4.268 5.164 625 HD3 LYS 85 HD1 LYS 85 9.900 -5.607 6.249 626 HE2 LYS 85 HE2 LYS 85 10.830 -5.932 3.478 627 HE3 LYS 85 HE1 LYS 85 11.594 -4.622 4.376 628 HZ1 LYS 85 HZ1 LYS 85 11.673 -7.513 4.881 629 HZ2 LYS 85 HZ2 LYS 85 11.829 -6.453 6.190 630 HZ3 LYS 85 HZ3 LYS 85 12.932 -6.382 4.910 631 H ALA 86 HN ALA 86 4.964 -6.383 7.132 632 HA ALA 86 HA ALA 86 3.002 -4.484 6.207 633 HB1 ALA 86 HB1 ALA 86 2.328 -7.334 6.595 634 HB2 ALA 86 HB2 ALA 86 1.589 -6.123 5.547 635 HB3 ALA 86 HB3 ALA 86 1.201 -6.157 7.268 636 H LYS 87 HN LYS 87 2.485 -3.129 7.810 637 HA LYS 87 HA LYS 87 2.728 -4.041 10.588 638 HB2 LYS 87 HB2 LYS 87 4.081 -1.652 9.352 639 HB3 LYS 87 HB1 LYS 87 3.764 -1.744 11.079 640 HG2 LYS 87 HG2 LYS 87 5.869 -2.582 11.055 641 HG3 LYS 87 HG1 LYS 87 4.976 -4.083 10.798 642 HD2 LYS 87 HD2 LYS 87 5.226 -3.508 8.282 643 HD3 LYS 87 HD1 LYS 87 6.515 -2.434 8.828 644 HE2 LYS 87 HE2 LYS 87 7.278 -4.713 8.139 645 HE3 LYS 87 HE1 LYS 87 7.730 -4.250 9.779 646 HZ1 LYS 87 HZ1 LYS 87 6.172 -5.682 10.696 647 HZ2 LYS 87 HZ2 LYS 87 6.779 -6.576 9.395 648 HZ3 LYS 87 HZ3 LYS 87 5.277 -5.810 9.266 649 H GLU 88 HN GLU 88 1.449 -2.901 12.090 650 HA GLU 88 HA GLU 88 -0.680 -1.284 10.853 651 HB2 GLU 88 HB2 GLU 88 -0.883 -2.844 13.429 652 HB3 GLU 88 HB1 GLU 88 -2.193 -2.099 12.523 653 HG2 GLU 88 HG2 GLU 88 -0.683 -4.019 10.947 654 HG3 GLU 88 HG1 GLU 88 -1.409 -4.728 12.389 655 H GLN 89 HN GLN 89 -1.081 0.715 11.605 656 HA GLN 89 HA GLN 89 0.165 1.548 14.130 657 HB2 GLN 89 HB2 GLN 89 0.141 3.449 11.822 658 HB3 GLN 89 HB1 GLN 89 1.197 3.415 13.227 659 HG2 GLN 89 HG2 GLN 89 1.889 1.093 12.049 660 HG3 GLN 89 HG1 GLN 89 1.442 2.049 10.637 661 HE21 GLN 89 HE21 GLN 89 4.027 1.061 12.032 662 HE22 GLN 89 HE22 GLN 89 5.053 2.451 11.964 663 H VAL 90 HN VAL 90 -0.788 3.480 15.068 664 HA VAL 90 HA VAL 90 -3.548 3.954 14.146 665 HB VAL 90 HB VAL 90 -2.669 3.961 17.033 666 HG11 VAL 90 HG11 VAL 90 -5.209 3.745 17.316 667 HG12 VAL 90 HG12 VAL 90 -5.305 4.270 15.635 668 HG13 VAL 90 HG13 VAL 90 -4.562 5.316 16.845 669 HG21 VAL 90 HG21 VAL 90 -3.908 1.824 17.218 670 HG22 VAL 90 HG22 VAL 90 -2.470 1.705 16.205 671 HG23 VAL 90 HG23 VAL 90 -4.067 1.799 15.462 672 H VAL 91 HN VAL 91 -3.830 5.980 13.519 673 HA VAL 91 HA VAL 91 -2.937 8.188 15.131 674 HB VAL 91 HB VAL 91 -1.778 9.299 13.148 675 HG11 VAL 91 HG11 VAL 91 0.256 8.712 13.994 676 HG12 VAL 91 HG12 VAL 91 -0.129 6.991 14.025 677 HG13 VAL 91 HG13 VAL 91 -0.778 8.062 15.266 678 HG21 VAL 91 HG21 VAL 91 -2.378 7.868 11.356 679 HG22 VAL 91 HG22 VAL 91 -1.793 6.439 12.209 680 HG23 VAL 91 HG23 VAL 91 -0.648 7.643 11.616 681 H SER 92 HN SER 92 -4.936 9.057 15.236 682 HA SER 92 HA SER 92 -6.844 10.126 14.612 683 HB2 SER 92 HB2 SER 92 -5.280 10.650 12.072 684 HB3 SER 92 HB1 SER 92 -6.756 11.487 12.555 685 HG SER 92 HG SER 92 -5.093 12.759 13.224 686 H GLY 93 HN GLY 93 -6.370 7.246 13.885 687 HA2 GLY 93 HA2 GLY 93 -8.737 6.430 12.959 688 HA3 GLY 93 HA1 GLY 93 -7.940 6.900 11.464 689 H MET 94 HN MET 94 -6.900 5.335 10.433 690 HA MET 94 HA MET 94 -5.527 3.261 11.960 691 HB2 MET 94 HB2 MET 94 -7.663 2.708 9.898 692 HB3 MET 94 HB1 MET 94 -6.520 1.497 10.462 693 HG2 MET 94 HG2 MET 94 -8.266 2.999 12.374 694 HG3 MET 94 HG1 MET 94 -8.845 1.567 11.524 695 HE1 MET 94 HE1 MET 94 -6.285 2.531 14.745 696 HE2 MET 94 HE2 MET 94 -7.530 1.494 15.441 697 HE3 MET 94 HE3 MET 94 -7.987 2.857 14.419 698 H MET 95 HN MET 95 -3.518 3.284 11.219 699 HA MET 95 HA MET 95 -3.077 3.774 8.347 700 HB2 MET 95 HB2 MET 95 -2.038 5.170 10.467 701 HB3 MET 95 HB1 MET 95 -0.752 4.019 10.129 702 HG2 MET 95 HG2 MET 95 -0.523 4.799 7.901 703 HG3 MET 95 HG1 MET 95 -1.993 5.763 8.021 704 HE1 MET 95 HE1 MET 95 -2.245 7.927 9.368 705 HE2 MET 95 HE2 MET 95 -1.514 8.259 7.798 706 HE3 MET 95 HE3 MET 95 -0.907 9.068 9.243 707 H HIS 96 HN HIS 96 -1.737 2.412 7.189 708 HA HIS 96 HA HIS 96 -0.709 0.051 8.609 709 HB2 HIS 96 HB2 HIS 96 -2.872 -0.441 7.438 710 HB3 HIS 96 HB1 HIS 96 -2.079 -0.047 5.917 711 HD1 HIS 96 HD1 HIS 96 -3.015 -2.877 7.745 712 HD2 HIS 96 HD2 HIS 96 0.484 -1.781 5.789 713 HE1 HIS 96 HE1 HIS 96 -1.781 -5.027 7.320 714 HE2 HIS 96 HE2 HIS 96 0.291 -4.346 6.058 715 H TYR 97 HN TYR 97 1.406 -0.068 8.349 716 HA TYR 97 HA TYR 97 2.633 1.109 5.960 717 HB2 TYR 97 HB2 TYR 97 3.724 0.363 8.672 718 HB3 TYR 97 HB1 TYR 97 4.777 0.757 7.317 719 HD1 TYR 97 HD2 TYR 97 1.621 2.252 8.668 720 HD2 TYR 97 HD1 TYR 97 5.683 2.860 7.558 721 HE1 TYR 97 HE2 TYR 97 1.402 4.640 9.202 722 HE2 TYR 97 HE1 TYR 97 5.475 5.252 8.089 723 HH TYR 97 HH TYR 97 2.795 6.533 9.783 724 H LEU 98 HN LEU 98 2.462 -0.441 4.399 725 HA LEU 98 HA LEU 98 3.642 -3.073 5.009 726 HB2 LEU 98 HB2 LEU 98 2.249 -4.031 3.305 727 HB3 LEU 98 HB1 LEU 98 1.245 -3.134 4.429 728 HG LEU 98 HG LEU 98 2.084 -1.527 2.139 729 HD11 LEU 98 HD11 LEU 98 1.984 -3.497 0.849 730 HD12 LEU 98 HD12 LEU 98 0.438 -2.683 0.609 731 HD13 LEU 98 HD13 LEU 98 0.545 -4.069 1.693 732 HD21 LEU 98 HD21 LEU 98 -0.530 -2.218 3.461 733 HD22 LEU 98 HD22 LEU 98 -0.396 -1.135 2.075 734 HD23 LEU 98 HD23 LEU 98 0.393 -0.721 3.596 735 H THR 99 HN THR 99 5.181 -3.916 3.670 736 HA THR 99 HA THR 99 6.215 -2.102 1.593 737 HB THR 99 HB THR 99 7.897 -4.287 2.728 738 HG1 THR 99 HG1 THR 99 7.053 -2.000 4.123 739 HG21 THR 99 HG21 THR 99 9.674 -3.029 2.116 740 HG22 THR 99 HG22 THR 99 8.840 -1.503 2.408 741 HG23 THR 99 HG23 THR 99 8.501 -2.428 0.945 742 H VAL 100 HN VAL 100 6.546 -2.865 -0.455 743 HA VAL 100 HA VAL 100 6.158 -5.727 -0.941 744 HB VAL 100 HB VAL 100 4.517 -5.459 -2.595 745 HG11 VAL 100 HG11 VAL 100 2.678 -4.654 -1.421 746 HG12 VAL 100 HG12 VAL 100 3.609 -3.372 -0.649 747 HG13 VAL 100 HG13 VAL 100 3.833 -5.047 -0.148 748 HG21 VAL 100 HG21 VAL 100 3.806 -2.825 -2.882 749 HG22 VAL 100 HG22 VAL 100 4.797 -3.749 -4.010 750 HG23 VAL 100 HG23 VAL 100 5.565 -2.741 -2.783 751 H GLU 101 HN GLU 101 6.924 -6.448 -3.030 752 HA GLU 101 HA GLU 101 9.248 -4.920 -3.884 753 HB2 GLU 101 HB2 GLU 101 8.303 -7.734 -4.334 754 HB3 GLU 101 HB1 GLU 101 9.566 -7.046 -5.344 755 HG2 GLU 101 HG2 GLU 101 11.043 -6.819 -3.545 756 HG3 GLU 101 HG1 GLU 101 9.759 -7.026 -2.355 757 H VAL 102 HN VAL 102 9.271 -3.678 -5.633 758 HA VAL 102 HA VAL 102 7.109 -4.014 -7.606 759 HB VAL 102 HB VAL 102 8.657 -1.483 -7.072 760 HG11 VAL 102 HG11 VAL 102 6.111 -2.017 -8.596 761 HG12 VAL 102 HG12 VAL 102 7.681 -1.613 -9.290 762 HG13 VAL 102 HG13 VAL 102 6.819 -0.427 -8.310 763 HG21 VAL 102 HG21 VAL 102 6.050 -2.452 -5.929 764 HG22 VAL 102 HG22 VAL 102 6.485 -0.744 -5.985 765 HG23 VAL 102 HG23 VAL 102 7.478 -1.877 -5.068 766 H ASN 103 HN ASN 103 7.580 -3.669 -9.815 767 HA ASN 103 HA ASN 103 10.430 -3.893 -10.518 768 HB2 ASN 103 HB2 ASN 103 9.239 -6.066 -10.754 769 HB3 ASN 103 HB1 ASN 103 8.140 -5.306 -11.902 770 HD21 ASN 103 HD21 ASN 103 11.039 -6.945 -11.502 771 HD22 ASN 103 HD22 ASN 103 11.678 -6.728 -13.092 772 H ASP 104 HN ASP 104 11.104 -2.835 -12.381 773 HA ASP 104 HA ASP 104 9.098 -1.165 -13.736 774 HB2 ASP 104 HB2 ASP 104 10.717 -0.056 -11.939 775 HB3 ASP 104 HB1 ASP 104 11.829 -0.050 -13.305 776 H ALA 105 HN ALA 105 9.122 -2.632 -15.478 777 HA ALA 105 HA ALA 105 9.812 -3.507 -17.464 778 HB1 ALA 105 HB1 ALA 105 10.014 -0.993 -17.822 779 HB2 ALA 105 HB2 ALA 105 10.896 -2.037 -18.936 780 HB3 ALA 105 HB3 ALA 105 11.752 -1.221 -17.628 781 H GLY 106 HN GLY 106 11.239 -4.340 -15.031 782 HA2 GLY 106 HA2 GLY 106 12.838 -6.248 -15.447 783 HA3 GLY 106 HA1 GLY 106 13.852 -5.038 -16.218 784 H LYS 107 HN LYS 107 13.399 -2.941 -14.340 785 HA LYS 107 HA LYS 107 15.353 -3.636 -12.395 786 HB2 LYS 107 HB2 LYS 107 13.678 -1.216 -12.944 787 HB3 LYS 107 HB1 LYS 107 14.557 -1.330 -11.425 788 HG2 LYS 107 HG2 LYS 107 16.122 -1.916 -13.848 789 HG3 LYS 107 HG1 LYS 107 15.563 -0.251 -13.673 790 HD2 LYS 107 HD2 LYS 107 16.848 -1.627 -11.354 791 HD3 LYS 107 HD1 LYS 107 17.856 -0.988 -12.654 792 HE2 LYS 107 HE2 LYS 107 17.759 0.783 -11.158 793 HE3 LYS 107 HE1 LYS 107 16.500 1.184 -12.325 794 HZ1 LYS 107 HZ1 LYS 107 15.660 -0.401 -10.040 795 HZ2 LYS 107 HZ2 LYS 107 14.878 0.885 -10.812 796 HZ3 LYS 107 HZ3 LYS 107 16.115 1.193 -9.701 797 H LYS 108 HN LYS 108 14.914 -4.969 -10.765 798 HA LYS 108 HA LYS 108 12.274 -4.870 -9.496 799 HB2 LYS 108 HB2 LYS 108 13.016 -7.071 -10.231 800 HB3 LYS 108 HB1 LYS 108 14.496 -6.910 -9.297 801 HG2 LYS 108 HG2 LYS 108 13.417 -8.028 -7.705 802 HG3 LYS 108 HG1 LYS 108 12.555 -6.519 -7.402 803 HD2 LYS 108 HD2 LYS 108 10.929 -7.319 -9.225 804 HD3 LYS 108 HD1 LYS 108 11.673 -8.903 -8.997 805 HE2 LYS 108 HE2 LYS 108 11.166 -8.118 -6.424 806 HE3 LYS 108 HE1 LYS 108 9.793 -7.442 -7.298 807 HZ1 LYS 108 HZ1 LYS 108 9.332 -9.631 -8.204 808 HZ2 LYS 108 HZ2 LYS 108 9.335 -9.681 -6.513 809 HZ3 LYS 108 HZ3 LYS 108 10.658 -10.283 -7.378 810 H LYS 109 HN LYS 109 11.983 -4.359 -7.371 811 HA LYS 109 HA LYS 109 14.152 -4.156 -5.519 812 HB2 LYS 109 HB2 LYS 109 13.153 -1.724 -6.913 813 HB3 LYS 109 HB1 LYS 109 13.487 -1.593 -5.191 814 HG2 LYS 109 HG2 LYS 109 15.592 -1.179 -5.757 815 HG3 LYS 109 HG1 LYS 109 15.714 -2.886 -6.186 816 HD2 LYS 109 HD2 LYS 109 14.795 -2.178 -8.474 817 HD3 LYS 109 HD1 LYS 109 15.189 -0.532 -7.975 818 HE2 LYS 109 HE2 LYS 109 17.190 -0.986 -8.893 819 HE3 LYS 109 HE1 LYS 109 17.494 -1.812 -7.365 820 HZ1 LYS 109 HZ1 LYS 109 18.068 -3.251 -9.174 821 HZ2 LYS 109 HZ2 LYS 109 16.548 -3.055 -9.890 822 HZ3 LYS 109 HZ3 LYS 109 16.689 -3.873 -8.417 823 H LEU 110 HN LEU 110 13.347 -2.967 -3.456 824 HA LEU 110 HA LEU 110 10.539 -3.738 -3.006 825 HB2 LEU 110 HB2 LEU 110 11.897 -5.237 -1.773 826 HB3 LEU 110 HB1 LEU 110 12.951 -3.950 -1.223 827 HG LEU 110 HG LEU 110 11.262 -3.113 0.274 828 HD11 LEU 110 HD11 LEU 110 9.496 -5.015 -1.201 829 HD12 LEU 110 HD12 LEU 110 9.214 -3.332 -0.757 830 HD13 LEU 110 HD13 LEU 110 9.131 -4.593 0.472 831 HD21 LEU 110 HD21 LEU 110 12.649 -5.305 0.727 832 HD22 LEU 110 HD22 LEU 110 11.048 -6.045 0.731 833 HD23 LEU 110 HD23 LEU 110 11.423 -4.748 1.866 834 H TYR 111 HN TYR 111 9.223 -2.107 -2.555 835 HA TYR 111 HA TYR 111 10.363 0.315 -1.325 836 HB2 TYR 111 HB2 TYR 111 7.977 0.283 -3.171 837 HB3 TYR 111 HB1 TYR 111 8.892 1.679 -2.613 838 HD1 TYR 111 HD1 TYR 111 11.674 0.465 -3.070 839 HD2 TYR 111 HD2 TYR 111 8.188 0.650 -5.507 840 HE1 TYR 111 HE1 TYR 111 13.080 0.347 -5.082 841 HE2 TYR 111 HE2 TYR 111 9.588 0.531 -7.525 842 HH TYR 111 HH TYR 111 12.959 0.951 -7.453 843 H GLU 112 HN GLU 112 9.208 1.324 0.290 844 HA GLU 112 HA GLU 112 7.158 -0.330 1.552 845 HB2 GLU 112 HB2 GLU 112 9.308 0.853 2.639 846 HB3 GLU 112 HB1 GLU 112 8.138 2.147 2.861 847 HG2 GLU 112 HG2 GLU 112 6.763 -0.062 3.724 848 HG3 GLU 112 HG1 GLU 112 8.411 -0.392 4.255 849 H ALA 113 HN ALA 113 5.088 0.291 1.863 850 HA ALA 113 HA ALA 113 4.309 2.984 0.960 851 HB1 ALA 113 HB1 ALA 113 3.803 0.853 -0.554 852 HB2 ALA 113 HB2 ALA 113 2.690 2.216 -0.436 853 HB3 ALA 113 HB3 ALA 113 2.403 0.759 0.515 854 H LYS 114 HN LYS 114 3.144 4.086 2.402 855 HA LYS 114 HA LYS 114 1.853 2.574 4.574 856 HB2 LYS 114 HB2 LYS 114 2.155 4.593 5.978 857 HB3 LYS 114 HB1 LYS 114 3.676 3.888 5.450 858 HG2 LYS 114 HG2 LYS 114 3.415 5.629 3.502 859 HG3 LYS 114 HG1 LYS 114 2.409 6.460 4.687 860 HD2 LYS 114 HD2 LYS 114 4.544 7.341 5.046 861 HD3 LYS 114 HD1 LYS 114 4.377 6.115 6.300 862 HE2 LYS 114 HE2 LYS 114 5.734 4.580 5.108 863 HE3 LYS 114 HE1 LYS 114 5.683 5.567 3.647 864 HZ1 LYS 114 HZ1 LYS 114 7.775 5.662 5.066 865 HZ2 LYS 114 HZ2 LYS 114 6.870 6.589 6.153 866 HZ3 LYS 114 HZ3 LYS 114 7.110 7.138 4.571 867 H VAL 115 HN VAL 115 -0.273 2.554 4.433 868 HA VAL 115 HA VAL 115 -1.634 4.804 3.117 869 HB VAL 115 HB VAL 115 -2.022 2.604 2.092 870 HG11 VAL 115 HG11 VAL 115 -1.788 1.087 3.880 871 HG12 VAL 115 HG12 VAL 115 -3.479 0.987 3.390 872 HG13 VAL 115 HG13 VAL 115 -3.032 1.897 4.833 873 HG21 VAL 115 HG21 VAL 115 -3.762 4.327 1.984 874 HG22 VAL 115 HG22 VAL 115 -4.469 3.701 3.474 875 HG23 VAL 115 HG23 VAL 115 -4.454 2.705 2.019 876 H TRP 116 HN TRP 116 -3.506 5.708 4.042 877 HA TRP 116 HA TRP 116 -3.907 5.107 6.898 878 HB2 TRP 116 HB2 TRP 116 -2.648 7.201 6.646 879 HB3 TRP 116 HB1 TRP 116 -3.911 7.841 5.601 880 HD1 TRP 116 HD1 TRP 116 -4.101 6.184 9.118 881 HE1 TRP 116 HE1 TRP 116 -5.483 7.736 10.638 882 HE3 TRP 116 HE3 TRP 116 -5.013 9.968 5.803 883 HZ2 TRP 116 HZ2 TRP 116 -6.787 10.234 10.454 884 HZ3 TRP 116 HZ3 TRP 116 -6.337 11.901 6.553 885 HH2 TRP 116 HH2 TRP 116 -7.208 12.029 8.832 886 H GLU 117 HN GLU 117 -5.987 5.113 7.649 887 HA GLU 117 HA GLU 117 -8.162 6.042 5.985 888 HB2 GLU 117 HB2 GLU 117 -7.768 3.808 5.069 889 HB3 GLU 117 HB1 GLU 117 -7.888 3.112 6.680 890 HG2 GLU 117 HG2 GLU 117 -10.211 4.705 5.929 891 HG3 GLU 117 HG1 GLU 117 -9.926 3.324 4.870 892 H GLN 118 HN GLN 118 -9.741 6.831 7.232 893 HA GLN 118 HA GLN 118 -9.698 6.163 10.089 894 HB2 GLN 118 HB2 GLN 118 -11.142 8.501 8.873 895 HB3 GLN 118 HB1 GLN 118 -10.588 8.290 10.524 896 HG2 GLN 118 HG2 GLN 118 -8.778 9.447 10.023 897 HG3 GLN 118 HG1 GLN 118 -8.294 8.151 8.930 898 HE21 GLN 118 HE21 GLN 118 -9.621 11.317 9.207 899 HE22 GLN 118 HE22 GLN 118 -9.642 11.692 7.520 900 H VAL 119 HN VAL 119 -11.999 6.589 11.090 901 HA VAL 119 HA VAL 119 -13.946 5.078 9.470 902 HB VAL 119 HB VAL 119 -13.132 3.782 11.391 903 HG11 VAL 119 HG11 VAL 119 -13.592 4.478 13.669 904 HG12 VAL 119 HG12 VAL 119 -14.306 5.982 13.088 905 HG13 VAL 119 HG13 VAL 119 -12.585 5.676 12.858 906 HG21 VAL 119 HG21 VAL 119 -15.351 3.302 12.420 907 HG22 VAL 119 HG22 VAL 119 -15.369 3.338 10.657 908 HG23 VAL 119 HG23 VAL 119 -15.994 4.709 11.574 909 H TRP 120 HN TRP 120 -13.466 7.698 11.769 910 HA TRP 120 HA TRP 120 -16.252 8.478 11.707 911 HB2 TRP 120 HB2 TRP 120 -15.489 10.359 13.145 912 HB3 TRP 120 HB1 TRP 120 -15.038 8.779 13.779 913 HD1 TRP 120 HD1 TRP 120 -13.488 11.863 12.080 914 HE1 TRP 120 HE1 TRP 120 -10.963 11.876 12.574 915 HE3 TRP 120 HE3 TRP 120 -13.093 7.326 14.404 916 HZ2 TRP 120 HZ2 TRP 120 -9.055 10.186 13.787 917 HZ3 TRP 120 HZ3 TRP 120 -10.881 6.598 15.199 918 HH2 TRP 120 HH2 TRP 120 -8.905 7.999 14.895 919 H MET 121 HN MET 121 -13.367 9.198 9.969 920 HA MET 121 HA MET 121 -14.499 11.660 8.865 921 HB2 MET 121 HB2 MET 121 -12.122 11.633 9.613 922 HB3 MET 121 HB1 MET 121 -11.783 10.424 8.383 923 HG2 MET 121 HG2 MET 121 -11.497 11.989 6.852 924 HG3 MET 121 HG1 MET 121 -13.096 12.654 7.176 925 HE1 MET 121 HE1 MET 121 -10.495 13.823 6.148 926 HE2 MET 121 HE2 MET 121 -9.226 13.880 7.371 927 HE3 MET 121 HE3 MET 121 -10.147 15.334 6.988 928 H ASN 122 HN ASN 122 -13.914 8.344 8.097 929 HA ASN 122 HA ASN 122 -14.445 7.055 6.311 930 HB2 ASN 122 HB2 ASN 122 -16.247 9.407 5.977 931 HB3 ASN 122 HB1 ASN 122 -16.096 8.288 4.625 932 HD21 ASN 122 HD21 ASN 122 -16.252 7.933 8.154 933 HD22 ASN 122 HD22 ASN 122 -17.541 6.782 8.151 934 H PHE 123 HN PHE 123 -12.035 8.426 6.182 935 HA PHE 123 HA PHE 123 -11.796 8.873 3.282 936 HB2 PHE 123 HB2 PHE 123 -10.990 10.615 5.504 937 HB3 PHE 123 HB1 PHE 123 -9.712 10.327 4.328 938 HD1 PHE 123 HD2 PHE 123 -10.457 10.588 1.816 939 HD2 PHE 123 HD1 PHE 123 -12.450 12.349 5.138 940 HE1 PHE 123 HE2 PHE 123 -11.446 12.275 0.323 941 HE2 PHE 123 HE1 PHE 123 -13.444 14.039 3.651 942 HZ PHE 123 HZ PHE 123 -12.942 14.004 1.240 943 H ARG 124 HN ARG 124 -10.127 7.869 2.273 944 HA ARG 124 HA ARG 124 -8.004 6.649 3.845 945 HB2 ARG 124 HB2 ARG 124 -8.364 4.428 3.065 946 HB3 ARG 124 HB1 ARG 124 -9.897 4.996 3.709 947 HG2 ARG 124 HG2 ARG 124 -10.596 4.009 1.776 948 HG3 ARG 124 HG1 ARG 124 -10.340 5.661 1.210 949 HD2 ARG 124 HD2 ARG 124 -7.860 4.502 0.917 950 HD3 ARG 124 HD1 ARG 124 -8.964 3.198 0.484 951 HE ARG 124 HE ARG 124 -8.464 5.612 -0.994 952 HH11 ARG 124 HH11 ARG 124 -10.747 3.039 -0.404 953 HH12 ARG 124 HH12 ARG 124 -11.534 3.218 -1.935 954 HH21 ARG 124 HH21 ARG 124 -9.499 5.848 -3.009 955 HH22 ARG 124 HH22 ARG 124 -10.826 4.812 -3.415 956 H GLN 125 HN GLN 125 -6.111 6.854 2.838 957 HA GLN 125 HA GLN 125 -5.841 6.606 -0.003 958 HB2 GLN 125 HB2 GLN 125 -4.811 8.942 -0.217 959 HB3 GLN 125 HB1 GLN 125 -6.565 8.832 -0.165 960 HG2 GLN 125 HG2 GLN 125 -6.666 9.642 2.027 961 HG3 GLN 125 HG1 GLN 125 -4.948 9.356 2.302 962 HE21 GLN 125 HE21 GLN 125 -4.405 11.411 2.861 963 HE22 GLN 125 HE22 GLN 125 -4.474 12.752 1.773 964 H LEU 126 HN LEU 126 -3.513 7.197 -0.669 965 HA LEU 126 HA LEU 126 -1.750 5.828 1.145 966 HB2 LEU 126 HB2 LEU 126 -1.559 5.394 -1.219 967 HB3 LEU 126 HB1 LEU 126 -1.299 7.095 -1.555 968 HG LEU 126 HG LEU 126 0.665 5.936 0.294 969 HD11 LEU 126 HD11 LEU 126 0.960 4.034 -0.853 970 HD12 LEU 126 HD12 LEU 126 1.756 5.066 -2.040 971 HD13 LEU 126 HD13 LEU 126 0.063 4.620 -2.253 972 HD21 LEU 126 HD21 LEU 126 1.253 7.278 -2.308 973 HD22 LEU 126 HD22 LEU 126 2.118 7.370 -0.774 974 HD23 LEU 126 HD23 LEU 126 0.583 8.215 -0.972 975 H GLN 127 HN GLN 127 -0.159 6.662 2.393 976 HA GLN 127 HA GLN 127 -0.150 9.553 2.744 977 HB2 GLN 127 HB2 GLN 127 0.504 7.216 4.403 978 HB3 GLN 127 HB1 GLN 127 1.588 8.583 4.619 979 HG2 GLN 127 HG2 GLN 127 -0.384 8.473 6.174 980 HG3 GLN 127 HG1 GLN 127 -0.161 9.994 5.312 981 HE21 GLN 127 HE21 GLN 127 -1.498 7.002 4.029 982 HE22 GLN 127 HE22 GLN 127 -3.081 7.623 3.729 983 H GLU 128 HN GLU 128 2.375 7.028 2.600 984 HA GLU 128 HA GLU 128 3.953 8.749 0.856 985 HB2 GLU 128 HB2 GLU 128 5.322 7.566 3.246 986 HB3 GLU 128 HB1 GLU 128 5.843 8.889 2.214 987 HG2 GLU 128 HG2 GLU 128 3.458 9.093 4.026 988 HG3 GLU 128 HG1 GLU 128 5.094 9.494 4.546 989 H PHE 129 HN PHE 129 5.743 7.669 -0.150 990 HA PHE 129 HA PHE 129 5.718 4.743 0.001 991 HB2 PHE 129 HB2 PHE 129 4.278 5.761 -1.930 992 HB3 PHE 129 HB1 PHE 129 5.835 6.089 -2.681 993 HD1 PHE 129 HD2 PHE 129 7.285 4.254 -3.385 994 HD2 PHE 129 HD1 PHE 129 3.426 3.532 -1.744 995 HE1 PHE 129 HE2 PHE 129 7.350 1.955 -4.255 996 HE2 PHE 129 HE1 PHE 129 3.485 1.229 -2.609 997 HZ PHE 129 HZ PHE 129 5.449 0.438 -3.867 998 H THR 130 HN THR 130 7.738 4.381 0.713 999 HA THR 130 HA THR 130 9.946 5.949 -0.405 1000 HB THR 130 HB THR 130 11.231 5.317 1.466 1001 HG1 THR 130 HG1 THR 130 9.363 3.225 1.744 1002 HG21 THR 130 HG21 THR 130 9.190 6.780 1.981 1003 HG22 THR 130 HG22 THR 130 10.053 6.035 3.326 1004 HG23 THR 130 HG23 THR 130 8.536 5.338 2.757 1005 H TYR 131 HN TYR 131 11.817 4.956 -1.248 1006 HA TYR 131 HA TYR 131 11.309 2.280 -2.351 1007 HB2 TYR 131 HB2 TYR 131 13.041 2.903 -4.048 1008 HB3 TYR 131 HB1 TYR 131 11.610 3.928 -4.078 1009 HD1 TYR 131 HD1 TYR 131 11.724 6.239 -3.210 1010 HD2 TYR 131 HD2 TYR 131 15.192 3.789 -3.485 1011 HE1 TYR 131 HE1 TYR 131 13.145 8.234 -2.981 1012 HE2 TYR 131 HE2 TYR 131 16.622 5.777 -3.256 1013 HH TYR 131 HH TYR 131 15.938 8.406 -2.047 1014 H LEU 132 HN LEU 132 12.268 0.718 -1.234 1015 HA LEU 132 HA LEU 132 14.732 1.245 0.215 1016 HB2 LEU 132 HB2 LEU 132 13.432 -1.441 0.136 1017 HB3 LEU 132 HB1 LEU 132 14.311 -0.670 1.443 1018 HG LEU 132 HG LEU 132 11.489 -0.080 0.556 1019 HD11 LEU 132 HD11 LEU 132 12.737 -1.464 2.887 1020 HD12 LEU 132 HD12 LEU 132 11.354 -1.942 1.902 1021 HD13 LEU 132 HD13 LEU 132 11.190 -0.640 3.080 1022 HD21 LEU 132 HD21 LEU 132 12.069 2.027 1.180 1023 HD22 LEU 132 HD22 LEU 132 13.394 1.480 2.207 1024 HD23 LEU 132 HD23 LEU 132 11.730 1.363 2.778 1025 H GLY 133 HN GLY 133 16.024 -1.137 0.206 1026 HA2 GLY 133 HA2 GLY 133 16.983 -1.276 -2.572 1027 HA3 GLY 133 HA1 GLY 133 17.918 -1.704 -1.147 1028 H ASP 134 HN ASP 134 15.291 -2.710 -3.254 1029 HA ASP 134 HA ASP 134 14.294 -4.724 -3.631 1030 HB2 ASP 134 HB2 ASP 134 15.807 -6.521 -4.149 1031 HB3 ASP 134 HB1 ASP 134 16.555 -5.009 -4.650 1032 H ALA 135 HN ALA 135 14.430 -7.221 -2.788 1033 HA ALA 135 HA ALA 135 14.302 -7.112 0.152 1034 HB1 ALA 135 HB1 ALA 135 12.280 -8.464 0.121 1035 HB2 ALA 135 HB2 ALA 135 12.295 -8.471 -1.643 1036 HB3 ALA 135 HB3 ALA 135 12.036 -6.961 -0.769 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 11.306 8.106 15.404 2 H2 MET 1 HT2 MET 1 9.886 7.235 15.817 3 H3 MET 1 HT3 MET 1 10.188 7.663 14.182 4 HA MET 1 HA MET 1 11.612 5.718 15.859 5 HB2 MET 1 HB2 MET 1 9.386 5.444 14.344 6 HB3 MET 1 HB1 MET 1 10.620 5.142 13.128 7 HG2 MET 1 HG2 MET 1 10.464 3.030 13.838 8 HG3 MET 1 HG1 MET 1 11.517 3.583 15.139 9 HE1 MET 1 HE1 MET 1 9.045 0.980 16.544 10 HE2 MET 1 HE2 MET 1 10.381 1.766 17.385 11 HE3 MET 1 HE3 MET 1 10.571 1.264 15.705 12 H ALA 2 HN ALA 2 12.800 4.347 13.810 13 HA ALA 2 HA ALA 2 15.174 5.769 13.394 14 HB1 ALA 2 HB1 ALA 2 14.239 3.438 11.734 15 HB2 ALA 2 HB2 ALA 2 14.886 3.273 13.366 16 HB3 ALA 2 HB3 ALA 2 15.898 3.927 12.078 17 H ASP 3 HN ASP 3 12.657 4.901 11.018 18 HA ASP 3 HA ASP 3 13.795 6.514 8.963 19 HB2 ASP 3 HB2 ASP 3 11.587 6.077 7.806 20 HB3 ASP 3 HB1 ASP 3 12.495 4.641 8.272 21 H GLU 4 HN GLU 4 11.573 7.090 11.543 22 HA GLU 4 HA GLU 4 10.480 8.949 12.265 23 HB2 GLU 4 HB2 GLU 4 12.694 10.096 10.613 24 HB3 GLU 4 HB1 GLU 4 11.446 11.167 11.234 25 HG2 GLU 4 HG2 GLU 4 11.971 10.055 13.511 26 HG3 GLU 4 HG1 GLU 4 13.471 9.560 12.727 27 H GLN 5 HN GLN 5 9.502 7.519 9.919 28 HA GLN 5 HA GLN 5 8.382 9.573 8.201 29 HB2 GLN 5 HB2 GLN 5 8.701 6.665 8.104 30 HB3 GLN 5 HB1 GLN 5 7.136 7.210 7.515 31 HG2 GLN 5 HG2 GLN 5 8.016 8.222 5.696 32 HG3 GLN 5 HG1 GLN 5 9.508 8.665 6.525 33 HE21 GLN 5 HE21 GLN 5 10.780 7.940 4.824 34 HE22 GLN 5 HE22 GLN 5 11.012 6.259 4.497 35 HA PRO 6 HA PRO 6 4.351 7.570 10.286 36 HB2 PRO 6 HB2 PRO 6 5.674 6.994 12.896 37 HB3 PRO 6 HB1 PRO 6 4.370 6.125 12.080 38 HG2 PRO 6 HG2 PRO 6 6.846 5.152 12.087 39 HG3 PRO 6 HG1 PRO 6 5.822 5.023 10.645 40 HD2 PRO 6 HD2 PRO 6 8.113 6.854 11.187 41 HD3 PRO 6 HD1 PRO 6 7.609 6.093 9.665 42 H LYS 7 HN LYS 7 2.983 8.628 11.887 43 HA LYS 7 HA LYS 7 2.236 10.463 13.005 44 HB2 LYS 7 HB2 LYS 7 4.281 9.598 14.467 45 HB3 LYS 7 HB1 LYS 7 4.975 11.136 13.971 46 HG2 LYS 7 HG2 LYS 7 3.547 12.349 15.236 47 HG3 LYS 7 HG1 LYS 7 2.216 11.209 15.025 48 HD2 LYS 7 HD2 LYS 7 3.405 9.640 16.553 49 HD3 LYS 7 HD1 LYS 7 4.602 10.904 16.846 50 HE2 LYS 7 HE2 LYS 7 2.920 10.846 18.616 51 HE3 LYS 7 HE1 LYS 7 2.859 12.365 17.724 52 HZ1 LYS 7 HZ1 LYS 7 1.056 10.060 17.223 53 HZ2 LYS 7 HZ2 LYS 7 0.950 11.599 16.529 54 HZ3 LYS 7 HZ3 LYS 7 0.653 11.395 18.182 55 H LYS 8 HN LYS 8 1.822 11.555 11.026 56 HA LYS 8 HA LYS 8 2.936 14.125 10.854 57 HB2 LYS 8 HB2 LYS 8 4.658 12.348 9.740 58 HB3 LYS 8 HB1 LYS 8 3.670 12.752 8.343 59 HG2 LYS 8 HG2 LYS 8 4.457 14.867 8.223 60 HG3 LYS 8 HG1 LYS 8 4.641 15.016 9.972 61 HD2 LYS 8 HD2 LYS 8 6.839 14.857 9.505 62 HD3 LYS 8 HD1 LYS 8 6.501 13.126 9.430 63 HE2 LYS 8 HE2 LYS 8 6.314 14.936 7.033 64 HE3 LYS 8 HE1 LYS 8 7.801 14.104 7.489 65 HZ1 LYS 8 HZ1 LYS 8 6.922 12.582 6.074 66 HZ2 LYS 8 HZ2 LYS 8 5.319 13.012 6.399 67 HZ3 LYS 8 HZ3 LYS 8 6.175 12.052 7.497 68 HA PRO 9 HA PRO 9 -0.871 14.940 8.800 69 HB2 PRO 9 HB2 PRO 9 0.723 16.678 6.976 70 HB3 PRO 9 HB1 PRO 9 -0.725 17.060 7.914 71 HG2 PRO 9 HG2 PRO 9 1.665 17.922 8.703 72 HG3 PRO 9 HG1 PRO 9 0.468 17.356 9.883 73 HD2 PRO 9 HD2 PRO 9 2.919 15.994 8.863 74 HD3 PRO 9 HD1 PRO 9 2.194 15.953 10.483 75 H VAL 10 HN VAL 10 -1.768 15.129 6.470 76 HA VAL 10 HA VAL 10 -0.298 13.552 4.519 77 HB VAL 10 HB VAL 10 -1.928 11.850 4.233 78 HG11 VAL 10 HG11 VAL 10 -0.336 11.586 6.130 79 HG12 VAL 10 HG12 VAL 10 -1.829 10.664 6.308 80 HG13 VAL 10 HG13 VAL 10 -1.605 12.162 7.211 81 HG21 VAL 10 HG21 VAL 10 -3.625 13.526 6.048 82 HG22 VAL 10 HG22 VAL 10 -3.941 11.803 5.840 83 HG23 VAL 10 HG23 VAL 10 -4.001 12.885 4.449 84 HA PRO 11 HA PRO 11 -2.435 16.168 1.683 85 HB2 PRO 11 HB2 PRO 11 -2.485 14.661 -0.553 86 HB3 PRO 11 HB1 PRO 11 -0.986 15.340 0.092 87 HG2 PRO 11 HG2 PRO 11 -2.078 12.567 0.360 88 HG3 PRO 11 HG1 PRO 11 -0.415 13.087 0.033 89 HD2 PRO 11 HD2 PRO 11 -1.287 12.323 2.500 90 HD3 PRO 11 HD1 PRO 11 0.024 13.490 2.251 91 H ALA 12 HN ALA 12 -4.161 15.719 -0.304 92 HA ALA 12 HA ALA 12 -6.368 14.123 0.788 93 HB1 ALA 12 HB1 ALA 12 -7.951 15.947 0.356 94 HB2 ALA 12 HB2 ALA 12 -6.608 16.996 -0.099 95 HB3 ALA 12 HB3 ALA 12 -6.740 16.400 1.555 96 H ALA 13 HN ALA 13 -7.068 12.772 -0.718 97 HA ALA 13 HA ALA 13 -7.830 13.549 -3.314 98 HB1 ALA 13 HB1 ALA 13 -6.154 12.696 -4.704 99 HB2 ALA 13 HB2 ALA 13 -5.376 11.824 -3.384 100 HB3 ALA 13 HB3 ALA 13 -5.274 13.583 -3.459 101 H GLU 14 HN GLU 14 -8.373 11.613 -4.699 102 HA GLU 14 HA GLU 14 -8.457 9.008 -3.662 103 HB2 GLU 14 HB2 GLU 14 -10.087 10.361 -2.133 104 HB3 GLU 14 HB1 GLU 14 -11.179 10.255 -3.507 105 HG2 GLU 14 HG2 GLU 14 -9.946 7.714 -2.727 106 HG3 GLU 14 HG1 GLU 14 -11.006 8.428 -1.513 107 H GLU 15 HN GLU 15 -8.074 8.255 -5.676 108 HA GLU 15 HA GLU 15 -10.207 7.883 -7.461 109 HB2 GLU 15 HB2 GLU 15 -9.331 10.411 -7.740 110 HB3 GLU 15 HB1 GLU 15 -8.217 9.602 -8.834 111 HG2 GLU 15 HG2 GLU 15 -10.208 10.466 -9.974 112 HG3 GLU 15 HG1 GLU 15 -10.048 8.716 -10.120 113 H ALA 16 HN ALA 16 -9.458 6.890 -9.556 114 HA ALA 16 HA ALA 16 -6.792 5.680 -9.321 115 HB1 ALA 16 HB1 ALA 16 -9.405 4.302 -9.309 116 HB2 ALA 16 HB2 ALA 16 -7.870 3.836 -8.577 117 HB3 ALA 16 HB3 ALA 16 -8.138 3.581 -10.302 118 HA PRO 17 HA PRO 17 -6.419 6.425 -13.647 119 HB2 PRO 17 HB2 PRO 17 -5.022 4.272 -14.521 120 HB3 PRO 17 HB1 PRO 17 -4.298 5.543 -13.529 121 HG2 PRO 17 HG2 PRO 17 -5.325 2.853 -12.709 122 HG3 PRO 17 HG1 PRO 17 -3.841 3.684 -12.208 123 HD2 PRO 17 HD2 PRO 17 -6.072 3.627 -10.671 124 HD3 PRO 17 HD1 PRO 17 -4.945 4.998 -10.670 125 H ALA 18 HN ALA 18 -7.987 6.323 -15.115 126 HA ALA 18 HA ALA 18 -9.956 4.337 -15.224 127 HB1 ALA 18 HB1 ALA 18 -10.836 5.476 -17.068 128 HB2 ALA 18 HB2 ALA 18 -9.253 6.073 -17.568 129 HB3 ALA 18 HB3 ALA 18 -10.028 6.730 -16.126 130 H ALA 19 HN ALA 19 -7.024 4.797 -17.152 131 HA ALA 19 HA ALA 19 -6.893 1.993 -17.746 132 HB1 ALA 19 HB1 ALA 19 -7.329 1.965 -20.008 133 HB2 ALA 19 HB2 ALA 19 -7.055 3.698 -20.192 134 HB3 ALA 19 HB3 ALA 19 -8.536 3.114 -19.433 135 H GLU 20 HN GLU 20 -4.814 1.669 -17.308 136 HA GLU 20 HA GLU 20 -2.782 2.943 -18.877 137 HB2 GLU 20 HB2 GLU 20 -3.244 3.753 -16.051 138 HB3 GLU 20 HB1 GLU 20 -1.577 3.551 -16.575 139 HG2 GLU 20 HG2 GLU 20 -1.720 5.673 -17.228 140 HG3 GLU 20 HG1 GLU 20 -2.628 5.042 -18.602 141 H ALA 21 HN ALA 21 -1.421 1.361 -19.352 142 HA ALA 21 HA ALA 21 -0.453 -0.422 -17.276 143 HB1 ALA 21 HB1 ALA 21 -0.927 -2.400 -18.892 144 HB2 ALA 21 HB2 ALA 21 -2.171 -1.334 -19.545 145 HB3 ALA 21 HB3 ALA 21 -2.216 -1.804 -17.846 146 H GLU 22 HN GLU 22 1.381 -1.720 -17.984 147 HA GLU 22 HA GLU 22 2.604 -0.977 -20.518 148 HB2 GLU 22 HB2 GLU 22 3.590 -0.108 -17.847 149 HB3 GLU 22 HB1 GLU 22 4.789 -0.618 -19.027 150 HG2 GLU 22 HG2 GLU 22 4.737 1.496 -19.719 151 HG3 GLU 22 HG1 GLU 22 3.222 1.053 -20.505 152 H ALA 23 HN ALA 23 3.618 -2.475 -17.441 153 HA ALA 23 HA ALA 23 4.543 -4.802 -18.984 154 HB1 ALA 23 HB1 ALA 23 5.369 -3.862 -16.240 155 HB2 ALA 23 HB2 ALA 23 6.299 -3.693 -17.729 156 HB3 ALA 23 HB3 ALA 23 5.989 -5.295 -17.060 157 H GLU 24 HN GLU 24 4.094 -6.909 -18.244 158 HA GLU 24 HA GLU 24 2.045 -7.154 -16.160 159 HB2 GLU 24 HB2 GLU 24 1.223 -7.153 -18.679 160 HB3 GLU 24 HB1 GLU 24 1.764 -8.825 -18.617 161 HG2 GLU 24 HG2 GLU 24 -0.365 -9.158 -17.966 162 HG3 GLU 24 HG1 GLU 24 0.314 -8.782 -16.383 163 H GLU 25 HN GLU 25 2.335 -8.844 -14.827 164 HA GLU 25 HA GLU 25 3.913 -11.135 -15.666 165 HB2 GLU 25 HB2 GLU 25 4.820 -9.126 -13.651 166 HB3 GLU 25 HB1 GLU 25 5.192 -10.821 -13.372 167 HG2 GLU 25 HG2 GLU 25 6.275 -10.907 -15.591 168 HG3 GLU 25 HG1 GLU 25 5.980 -9.177 -15.766 169 H GLU 26 HN GLU 26 2.906 -9.754 -12.537 170 HA GLU 26 HA GLU 26 1.527 -12.283 -11.963 171 HB2 GLU 26 HB2 GLU 26 2.761 -10.171 -10.226 172 HB3 GLU 26 HB1 GLU 26 1.539 -11.252 -9.571 173 HG2 GLU 26 HG2 GLU 26 3.966 -12.305 -10.974 174 HG3 GLU 26 HG1 GLU 26 3.997 -11.876 -9.264 175 H GLU 27 HN GLU 27 -0.620 -12.347 -11.909 176 HA GLU 27 HA GLU 27 -2.087 -9.801 -11.923 177 HB2 GLU 27 HB2 GLU 27 -3.950 -11.115 -12.902 178 HB3 GLU 27 HB1 GLU 27 -2.496 -11.145 -13.889 179 HG2 GLU 27 HG2 GLU 27 -2.731 -13.342 -11.959 180 HG3 GLU 27 HG1 GLU 27 -3.952 -13.322 -13.231 181 H GLY 28 HN GLY 28 -4.501 -10.289 -11.100 182 HA2 GLY 28 HA2 GLY 28 -4.222 -10.728 -8.291 183 HA3 GLY 28 HA1 GLY 28 -5.720 -10.401 -9.147 184 H LEU 29 HN LEU 29 -5.918 -12.119 -7.139 185 HA LEU 29 HA LEU 29 -5.502 -14.840 -8.006 186 HB2 LEU 29 HB2 LEU 29 -6.856 -13.641 -5.595 187 HB3 LEU 29 HB1 LEU 29 -6.771 -15.368 -5.884 188 HG LEU 29 HG LEU 29 -4.233 -13.798 -5.859 189 HD11 LEU 29 HD11 LEU 29 -4.066 -13.711 -3.550 190 HD12 LEU 29 HD12 LEU 29 -5.375 -14.867 -3.310 191 HD13 LEU 29 HD13 LEU 29 -5.737 -13.224 -3.838 192 HD21 LEU 29 HD21 LEU 29 -3.496 -15.966 -4.756 193 HD22 LEU 29 HD22 LEU 29 -3.968 -16.058 -6.452 194 HD23 LEU 29 HD23 LEU 29 -5.080 -16.604 -5.197 195 H HIS 30 HN HIS 30 -8.343 -12.809 -7.300 196 HA HIS 30 HA HIS 30 -9.835 -13.755 -9.488 197 HB2 HIS 30 HB2 HIS 30 -9.797 -15.796 -7.927 198 HB3 HIS 30 HB1 HIS 30 -10.864 -14.863 -6.882 199 HD1 HIS 30 HD1 HIS 30 -10.967 -17.238 -9.550 200 HD2 HIS 30 HD2 HIS 30 -13.290 -13.982 -8.426 201 HE1 HIS 30 HE1 HIS 30 -13.173 -17.552 -10.716 202 HE2 HIS 30 HE2 HIS 30 -14.592 -15.616 -9.951 203 H LEU 31 HN LEU 31 -10.056 -11.458 -9.554 204 HA LEU 31 HA LEU 31 -12.266 -10.508 -7.879 205 HB2 LEU 31 HB2 LEU 31 -9.775 -9.714 -7.299 206 HB3 LEU 31 HB1 LEU 31 -10.146 -8.545 -8.551 207 HG LEU 31 HG LEU 31 -12.133 -8.900 -6.365 208 HD11 LEU 31 HD11 LEU 31 -9.665 -7.218 -6.004 209 HD12 LEU 31 HD12 LEU 31 -9.868 -8.815 -5.285 210 HD13 LEU 31 HD13 LEU 31 -10.962 -7.504 -4.844 211 HD21 LEU 31 HD21 LEU 31 -11.100 -6.394 -7.664 212 HD22 LEU 31 HD22 LEU 31 -12.616 -6.633 -6.795 213 HD23 LEU 31 HD23 LEU 31 -12.379 -7.378 -8.376 214 H GLU 32 HN GLU 32 -13.693 -9.135 -8.886 215 HA GLU 32 HA GLU 32 -13.702 -9.190 -11.747 216 HB2 GLU 32 HB2 GLU 32 -15.524 -7.853 -9.743 217 HB3 GLU 32 HB1 GLU 32 -15.799 -7.825 -11.480 218 HG2 GLU 32 HG2 GLU 32 -15.853 -10.312 -11.445 219 HG3 GLU 32 HG1 GLU 32 -15.761 -10.238 -9.686 220 H ASP 33 HN ASP 33 -14.422 -7.000 -12.847 221 HA ASP 33 HA ASP 33 -12.157 -5.263 -12.649 222 HB2 ASP 33 HB2 ASP 33 -14.686 -4.838 -14.250 223 HB3 ASP 33 HB1 ASP 33 -13.119 -4.081 -14.522 224 H ASP 34 HN ASP 34 -12.387 -4.534 -10.455 225 HA ASP 34 HA ASP 34 -14.108 -2.181 -10.278 226 HB2 ASP 34 HB2 ASP 34 -14.807 -2.788 -7.975 227 HB3 ASP 34 HB1 ASP 34 -15.421 -3.907 -9.188 228 H GLN 35 HN GLN 35 -13.592 -1.202 -7.891 229 HA GLN 35 HA GLN 35 -10.925 -0.294 -8.063 230 HB2 GLN 35 HB2 GLN 35 -13.126 0.013 -6.054 231 HB3 GLN 35 HB1 GLN 35 -11.504 0.564 -5.655 232 HG2 GLN 35 HG2 GLN 35 -13.157 1.474 -8.000 233 HG3 GLN 35 HG1 GLN 35 -12.864 2.379 -6.516 234 HE21 GLN 35 HE21 GLN 35 -10.334 2.332 -6.021 235 HE22 GLN 35 HE22 GLN 35 -9.371 2.900 -7.339 236 H GLU 36 HN GLU 36 -9.682 -0.253 -5.764 237 HA GLU 36 HA GLU 36 -9.214 -3.088 -5.137 238 HB2 GLU 36 HB2 GLU 36 -7.410 -0.677 -5.087 239 HB3 GLU 36 HB1 GLU 36 -6.981 -2.172 -4.266 240 HG2 GLU 36 HG2 GLU 36 -5.970 -1.961 -6.501 241 HG3 GLU 36 HG1 GLU 36 -7.001 -3.382 -6.336 242 HA PRO 37 HA PRO 37 -11.066 -1.348 -1.266 243 HB2 PRO 37 HB2 PRO 37 -12.467 -3.585 -0.635 244 HB3 PRO 37 HB1 PRO 37 -13.086 -2.343 -1.729 245 HG2 PRO 37 HG2 PRO 37 -11.792 -4.963 -2.378 246 HG3 PRO 37 HG1 PRO 37 -13.218 -4.208 -3.112 247 HD2 PRO 37 HD2 PRO 37 -10.770 -4.127 -4.266 248 HD3 PRO 37 HD1 PRO 37 -11.951 -2.813 -4.440 249 H ARG 38 HN ARG 38 -11.019 -2.329 0.973 250 HA ARG 38 HA ARG 38 -9.447 -4.569 1.596 251 HB2 ARG 38 HB2 ARG 38 -7.451 -3.315 2.524 252 HB3 ARG 38 HB1 ARG 38 -7.534 -3.437 0.772 253 HG2 ARG 38 HG2 ARG 38 -7.017 -1.242 0.936 254 HG3 ARG 38 HG1 ARG 38 -8.772 -1.104 1.059 255 HD2 ARG 38 HD2 ARG 38 -7.908 0.223 2.803 256 HD3 ARG 38 HD1 ARG 38 -8.468 -1.262 3.569 257 HE ARG 38 HE ARG 38 -5.821 -1.702 3.024 258 HH11 ARG 38 HH11 ARG 38 -7.621 0.681 4.829 259 HH12 ARG 38 HH12 ARG 38 -6.346 0.966 5.965 260 HH21 ARG 38 HH21 ARG 38 -4.143 -1.329 4.517 261 HH22 ARG 38 HH22 ARG 38 -4.371 -0.175 5.788 262 H GLU 39 HN GLU 39 -8.851 -4.625 3.942 263 HA GLU 39 HA GLU 39 -10.960 -3.313 5.474 264 HB2 GLU 39 HB2 GLU 39 -10.140 -5.876 5.504 265 HB3 GLU 39 HB1 GLU 39 -9.120 -5.233 6.784 266 HG2 GLU 39 HG2 GLU 39 -10.829 -5.008 8.210 267 HG3 GLU 39 HG1 GLU 39 -11.935 -4.444 6.958 268 H HIS 40 HN HIS 40 -10.055 -3.097 7.955 269 HA HIS 40 HA HIS 40 -7.928 -1.089 7.722 270 HB2 HIS 40 HB2 HIS 40 -9.789 -1.491 10.064 271 HB3 HIS 40 HB1 HIS 40 -8.796 -0.083 9.706 272 HD1 HIS 40 HD1 HIS 40 -10.298 1.771 9.084 273 HD2 HIS 40 HD2 HIS 40 -11.582 -1.848 7.496 274 HE1 HIS 40 HE1 HIS 40 -12.326 2.324 7.703 275 HE2 HIS 40 HE2 HIS 40 -13.136 0.107 6.822 276 HA PRO 41 HA PRO 41 -5.088 -3.611 9.972 277 HB2 PRO 41 HB2 PRO 41 -3.533 -1.718 11.129 278 HB3 PRO 41 HB1 PRO 41 -3.476 -2.072 9.399 279 HG2 PRO 41 HG2 PRO 41 -4.899 0.137 10.833 280 HG3 PRO 41 HG1 PRO 41 -3.953 0.204 9.334 281 HD2 PRO 41 HD2 PRO 41 -6.663 0.123 9.354 282 HD3 PRO 41 HD1 PRO 41 -5.693 -0.598 8.054 283 H ILE 42 HN ILE 42 -3.944 -3.503 12.293 284 HA ILE 42 HA ILE 42 -6.111 -3.113 14.251 285 HB ILE 42 HB ILE 42 -5.527 -5.479 13.908 286 HG12 ILE 42 HG12 ILE 42 -4.589 -4.504 16.612 287 HG13 ILE 42 HG11 ILE 42 -6.281 -4.593 16.134 288 HG21 ILE 42 HG21 ILE 42 -3.386 -6.367 14.409 289 HG22 ILE 42 HG22 ILE 42 -2.824 -4.823 15.050 290 HG23 ILE 42 HG23 ILE 42 -3.130 -5.001 13.323 291 HD11 ILE 42 HD11 ILE 42 -6.371 -6.737 16.663 292 HD12 ILE 42 HD12 ILE 42 -4.743 -6.586 17.324 293 HD13 ILE 42 HD13 ILE 42 -4.973 -7.101 15.653 294 H MET 43 HN MET 43 -5.449 -2.575 16.443 295 HA MET 43 HA MET 43 -3.726 -0.383 16.563 296 HB2 MET 43 HB2 MET 43 -3.926 -0.612 19.031 297 HB3 MET 43 HB1 MET 43 -5.474 -0.665 18.199 298 HG2 MET 43 HG2 MET 43 -4.880 -3.294 18.297 299 HG3 MET 43 HG1 MET 43 -4.096 -2.727 19.771 300 HE1 MET 43 HE1 MET 43 -6.946 -4.826 19.861 301 HE2 MET 43 HE2 MET 43 -6.842 -4.164 18.230 302 HE3 MET 43 HE3 MET 43 -8.281 -3.876 19.208 303 H GLY 44 HN GLY 44 -1.591 -0.170 16.797 304 HA2 GLY 44 HA2 GLY 44 0.075 -1.878 18.278 305 HA3 GLY 44 HA1 GLY 44 0.153 -2.364 16.592 306 H GLY 45 HN GLY 45 2.434 -1.786 16.790 307 HA2 GLY 45 HA2 GLY 45 2.802 1.086 16.251 308 HA3 GLY 45 HA1 GLY 45 3.858 0.268 17.393 309 H ILE 46 HN ILE 46 5.329 1.322 15.645 310 HA ILE 46 HA ILE 46 5.578 -0.089 13.165 311 HB ILE 46 HB ILE 46 7.652 1.675 14.465 312 HG12 ILE 46 HG12 ILE 46 5.461 2.822 14.329 313 HG13 ILE 46 HG11 ILE 46 6.661 3.545 13.261 314 HG21 ILE 46 HG21 ILE 46 7.862 2.089 11.812 315 HG22 ILE 46 HG22 ILE 46 7.325 0.409 11.825 316 HG23 ILE 46 HG23 ILE 46 8.790 0.874 12.691 317 HD11 ILE 46 HD11 ILE 46 4.827 3.483 11.900 318 HD12 ILE 46 HD12 ILE 46 4.225 1.977 12.593 319 HD13 ILE 46 HD13 ILE 46 5.597 1.952 11.485 320 H TYR 47 HN TYR 47 5.692 -2.272 14.011 321 HA TYR 47 HA TYR 47 8.302 -3.293 14.067 322 HB2 TYR 47 HB2 TYR 47 7.793 -2.220 16.485 323 HB3 TYR 47 HB1 TYR 47 7.128 -3.831 16.736 324 HD1 TYR 47 HD2 TYR 47 8.818 -5.712 15.604 325 HD2 TYR 47 HD1 TYR 47 9.930 -1.966 17.288 326 HE1 TYR 47 HE2 TYR 47 11.078 -6.581 16.032 327 HE2 TYR 47 HE1 TYR 47 12.193 -2.825 17.719 328 HH TYR 47 HH TYR 47 13.348 -4.917 17.992 329 H ASP 48 HN ASP 48 5.090 -3.935 15.470 330 HA ASP 48 HA ASP 48 5.136 -6.715 15.142 331 HB2 ASP 48 HB2 ASP 48 2.665 -4.981 15.022 332 HB3 ASP 48 HB1 ASP 48 2.771 -6.662 15.535 333 H ALA 49 HN ALA 49 3.143 -7.660 13.717 334 HA ALA 49 HA ALA 49 2.760 -6.558 11.145 335 HB1 ALA 49 HB1 ALA 49 5.000 -8.520 11.461 336 HB2 ALA 49 HB2 ALA 49 4.961 -7.007 10.556 337 HB3 ALA 49 HB3 ALA 49 4.093 -8.419 9.951 338 HA PRO 50 HA PRO 50 0.025 -10.091 12.653 339 HB2 PRO 50 HB2 PRO 50 -2.076 -8.110 12.041 340 HB3 PRO 50 HB1 PRO 50 -1.867 -9.120 13.475 341 HG2 PRO 50 HG2 PRO 50 -1.395 -6.485 13.544 342 HG3 PRO 50 HG1 PRO 50 -0.412 -7.630 14.477 343 HD2 PRO 50 HD2 PRO 50 0.222 -6.246 11.899 344 HD3 PRO 50 HD1 PRO 50 1.274 -6.572 13.292 345 H LEU 51 HN LEU 51 -1.263 -7.778 10.294 346 HA LEU 51 HA LEU 51 -2.104 -8.042 8.196 347 HB2 LEU 51 HB2 LEU 51 0.469 -8.865 8.132 348 HB3 LEU 51 HB1 LEU 51 -0.330 -10.324 7.577 349 HG LEU 51 HG LEU 51 -0.551 -7.593 6.308 350 HD11 LEU 51 HD11 LEU 51 1.535 -9.299 6.114 351 HD12 LEU 51 HD12 LEU 51 1.028 -8.202 4.830 352 HD13 LEU 51 HD13 LEU 51 0.508 -9.887 4.806 353 HD21 LEU 51 HD21 LEU 51 -2.612 -8.581 5.886 354 HD22 LEU 51 HD22 LEU 51 -1.924 -10.201 5.772 355 HD23 LEU 51 HD23 LEU 51 -1.653 -9.034 4.477 356 H ASN 52 HN ASN 52 -3.763 -9.176 9.886 357 HA ASN 52 HA ASN 52 -4.243 -11.919 9.708 358 HB2 ASN 52 HB2 ASN 52 -5.326 -10.325 11.317 359 HB3 ASN 52 HB1 ASN 52 -6.348 -9.767 9.996 360 HD21 ASN 52 HD21 ASN 52 -8.247 -10.698 9.841 361 HD22 ASN 52 HD22 ASN 52 -8.670 -12.262 10.441 362 H ASN 53 HN ASN 53 -5.013 -9.320 7.510 363 HA ASN 53 HA ASN 53 -6.774 -10.952 5.897 364 HB2 ASN 53 HB2 ASN 53 -6.906 -8.985 4.434 365 HB3 ASN 53 HB1 ASN 53 -7.196 -8.543 6.114 366 HD21 ASN 53 HD21 ASN 53 -5.583 -7.420 7.255 367 HD22 ASN 53 HD22 ASN 53 -4.354 -6.531 6.427 368 H GLU 54 HN GLU 54 -4.693 -12.464 5.934 369 HA GLU 54 HA GLU 54 -2.937 -11.817 3.684 370 HB2 GLU 54 HB2 GLU 54 -1.727 -13.917 4.443 371 HB3 GLU 54 HB1 GLU 54 -1.706 -12.560 5.561 372 HG2 GLU 54 HG2 GLU 54 -3.081 -13.598 7.068 373 HG3 GLU 54 HG1 GLU 54 -3.836 -14.617 5.843 374 H ASN 55 HN ASN 55 -5.862 -12.812 3.634 375 HA ASN 55 HA ASN 55 -5.957 -15.405 2.607 376 HB2 ASN 55 HB2 ASN 55 -8.102 -14.676 1.544 377 HB3 ASN 55 HB1 ASN 55 -7.987 -14.284 3.257 378 HD21 ASN 55 HD21 ASN 55 -9.719 -13.059 1.386 379 HD22 ASN 55 HD22 ASN 55 -9.286 -11.389 1.283 380 H GLY 56 HN GLY 56 -5.086 -12.375 1.102 381 HA2 GLY 56 HA2 GLY 56 -3.497 -12.688 -0.799 382 HA3 GLY 56 HA1 GLY 56 -4.676 -13.820 -1.444 383 H PHE 57 HN PHE 57 -7.037 -12.518 -1.139 384 HA PHE 57 HA PHE 57 -6.989 -10.675 -3.286 385 HB2 PHE 57 HB2 PHE 57 -9.235 -11.042 -1.299 386 HB3 PHE 57 HB1 PHE 57 -9.355 -10.467 -2.958 387 HD1 PHE 57 HD2 PHE 57 -8.716 -12.102 -4.818 388 HD2 PHE 57 HD1 PHE 57 -9.500 -13.295 -0.809 389 HE1 PHE 57 HE2 PHE 57 -9.126 -14.403 -5.588 390 HE2 PHE 57 HE1 PHE 57 -9.910 -15.598 -1.571 391 HZ PHE 57 HZ PHE 57 -9.724 -16.154 -3.963 392 H ASP 58 HN ASP 58 -7.246 -10.294 0.216 393 HA ASP 58 HA ASP 58 -7.690 -7.490 0.173 394 HB2 ASP 58 HB2 ASP 58 -6.676 -9.340 2.336 395 HB3 ASP 58 HB1 ASP 58 -6.994 -7.628 2.596 396 H LYS 59 HN LYS 59 -4.777 -9.451 0.758 397 HA LYS 59 HA LYS 59 -3.004 -7.315 1.134 398 HB2 LYS 59 HB2 LYS 59 -1.245 -8.897 0.868 399 HB3 LYS 59 HB1 LYS 59 -2.573 -9.748 1.643 400 HG2 LYS 59 HG2 LYS 59 -3.178 -10.792 -0.444 401 HG3 LYS 59 HG1 LYS 59 -1.944 -9.865 -1.298 402 HD2 LYS 59 HD2 LYS 59 -0.970 -11.405 1.009 403 HD3 LYS 59 HD1 LYS 59 -1.587 -12.376 -0.329 404 HE2 LYS 59 HE2 LYS 59 -0.035 -11.461 -1.845 405 HE3 LYS 59 HE1 LYS 59 0.377 -10.142 -0.750 406 HZ1 LYS 59 HZ1 LYS 59 1.316 -11.844 0.768 407 HZ2 LYS 59 HZ2 LYS 59 2.132 -11.729 -0.709 408 HZ3 LYS 59 HZ3 LYS 59 1.065 -13.011 -0.431 409 H GLU 60 HN GLU 60 -4.010 -9.016 -1.795 410 HA GLU 60 HA GLU 60 -2.209 -7.737 -3.554 411 HB2 GLU 60 HB2 GLU 60 -4.740 -9.290 -3.872 412 HB3 GLU 60 HB1 GLU 60 -4.133 -8.381 -5.249 413 HG2 GLU 60 HG2 GLU 60 -1.900 -9.592 -4.746 414 HG3 GLU 60 HG1 GLU 60 -2.915 -10.712 -3.838 415 H ASP 61 HN ASP 61 -5.629 -7.087 -2.805 416 HA ASP 61 HA ASP 61 -5.954 -4.877 -4.482 417 HB2 ASP 61 HB2 ASP 61 -7.306 -5.682 -1.912 418 HB3 ASP 61 HB1 ASP 61 -7.777 -4.234 -2.796 419 H LEU 62 HN LEU 62 -4.870 -5.062 -1.116 420 HA LEU 62 HA LEU 62 -4.694 -2.302 -0.635 421 HB2 LEU 62 HB2 LEU 62 -4.636 -3.859 1.189 422 HB3 LEU 62 HB1 LEU 62 -3.196 -4.631 0.554 423 HG LEU 62 HG LEU 62 -1.811 -2.835 1.189 424 HD11 LEU 62 HD11 LEU 62 -3.315 -1.040 0.365 425 HD12 LEU 62 HD12 LEU 62 -2.576 -0.684 1.926 426 HD13 LEU 62 HD13 LEU 62 -4.259 -1.206 1.846 427 HD21 LEU 62 HD21 LEU 62 -3.852 -3.630 3.200 428 HD22 LEU 62 HD22 LEU 62 -2.690 -2.374 3.625 429 HD23 LEU 62 HD23 LEU 62 -2.123 -3.974 3.147 430 H ALA 63 HN ALA 63 -2.142 -4.611 -1.574 431 HA ALA 63 HA ALA 63 -0.053 -2.790 -1.811 432 HB1 ALA 63 HB1 ALA 63 -0.451 -5.254 -3.502 433 HB2 ALA 63 HB2 ALA 63 0.180 -5.259 -1.855 434 HB3 ALA 63 HB3 ALA 63 1.075 -4.447 -3.140 435 H ARG 64 HN ARG 64 -2.183 -4.017 -4.397 436 HA ARG 64 HA ARG 64 -1.162 -2.383 -6.437 437 HB2 ARG 64 HB2 ARG 64 -2.910 -4.429 -6.383 438 HB3 ARG 64 HB1 ARG 64 -4.040 -3.091 -6.535 439 HG2 ARG 64 HG2 ARG 64 -1.725 -3.610 -8.389 440 HG3 ARG 64 HG1 ARG 64 -3.402 -4.064 -8.701 441 HD2 ARG 64 HD2 ARG 64 -3.778 -1.484 -8.163 442 HD3 ARG 64 HD1 ARG 64 -2.111 -1.393 -8.731 443 HE ARG 64 HE ARG 64 -4.426 -1.765 -10.324 444 HH11 ARG 64 HH11 ARG 64 -1.082 -2.727 -10.064 445 HH12 ARG 64 HH12 ARG 64 -0.903 -3.018 -11.761 446 HH21 ARG 64 HH21 ARG 64 -4.194 -2.147 -12.557 447 HH22 ARG 64 HH22 ARG 64 -2.670 -2.688 -13.177 448 H PHE 65 HN PHE 65 -3.663 -1.846 -4.032 449 HA PHE 65 HA PHE 65 -4.821 0.466 -5.099 450 HB2 PHE 65 HB2 PHE 65 -5.841 -0.739 -3.247 451 HB3 PHE 65 HB1 PHE 65 -4.471 -0.360 -2.209 452 HD1 PHE 65 HD2 PHE 65 -6.906 1.470 -4.371 453 HD2 PHE 65 HD1 PHE 65 -4.792 1.309 -0.682 454 HE1 PHE 65 HE2 PHE 65 -8.040 3.526 -3.637 455 HE2 PHE 65 HE1 PHE 65 -5.923 3.364 0.061 456 HZ PHE 65 HZ PHE 65 -7.549 4.476 -1.418 457 H ALA 66 HN ALA 66 -2.323 0.234 -2.558 458 HA ALA 66 HA ALA 66 -1.769 2.971 -2.412 459 HB1 ALA 66 HB1 ALA 66 0.574 1.976 -1.635 460 HB2 ALA 66 HB2 ALA 66 -0.377 0.492 -1.572 461 HB3 ALA 66 HB3 ALA 66 -0.868 1.895 -0.623 462 H VAL 67 HN VAL 67 0.029 0.422 -4.146 463 HA VAL 67 HA VAL 67 1.948 1.998 -5.352 464 HB VAL 67 HB VAL 67 0.598 -0.385 -6.629 465 HG11 VAL 67 HG11 VAL 67 3.075 1.157 -7.201 466 HG12 VAL 67 HG12 VAL 67 1.925 0.410 -8.310 467 HG13 VAL 67 HG13 VAL 67 3.099 -0.589 -7.452 468 HG21 VAL 67 HG21 VAL 67 3.139 -0.848 -5.283 469 HG22 VAL 67 HG22 VAL 67 1.631 -1.758 -5.200 470 HG23 VAL 67 HG23 VAL 67 1.861 -0.338 -4.181 471 H ARG 68 HN ARG 68 -1.172 1.010 -6.773 472 HA ARG 68 HA ARG 68 -0.935 2.596 -9.087 473 HB2 ARG 68 HB2 ARG 68 -2.486 0.719 -8.954 474 HB3 ARG 68 HB1 ARG 68 -3.410 1.543 -7.705 475 HG2 ARG 68 HG2 ARG 68 -4.333 3.044 -9.190 476 HG3 ARG 68 HG1 ARG 68 -3.031 2.844 -10.364 477 HD2 ARG 68 HD2 ARG 68 -4.602 0.422 -9.785 478 HD3 ARG 68 HD1 ARG 68 -5.481 1.718 -10.596 479 HE ARG 68 HE ARG 68 -2.940 1.117 -11.797 480 HH11 ARG 68 HH11 ARG 68 -6.325 0.275 -11.693 481 HH12 ARG 68 HH12 ARG 68 -6.333 -0.406 -13.285 482 HH21 ARG 68 HH21 ARG 68 -2.948 0.222 -13.891 483 HH22 ARG 68 HH22 ARG 68 -4.416 -0.436 -14.533 484 H GLU 69 HN GLU 69 -2.026 3.305 -5.856 485 HA GLU 69 HA GLU 69 -3.459 5.673 -6.407 486 HB2 GLU 69 HB2 GLU 69 -3.653 4.487 -4.274 487 HB3 GLU 69 HB1 GLU 69 -1.976 4.861 -3.900 488 HG2 GLU 69 HG2 GLU 69 -3.576 6.309 -2.722 489 HG3 GLU 69 HG1 GLU 69 -2.474 7.206 -3.766 490 H TYR 70 HN TYR 70 -0.064 5.075 -5.603 491 HA TYR 70 HA TYR 70 0.556 7.906 -5.863 492 HB2 TYR 70 HB2 TYR 70 2.475 7.469 -4.715 493 HB3 TYR 70 HB1 TYR 70 1.560 6.055 -4.211 494 HD1 TYR 70 HD2 TYR 70 4.207 7.246 -6.494 495 HD2 TYR 70 HD1 TYR 70 2.241 3.862 -4.829 496 HE1 TYR 70 HE2 TYR 70 5.980 5.789 -7.377 497 HE2 TYR 70 HE1 TYR 70 4.009 2.395 -5.708 498 HH TYR 70 HH TYR 70 6.942 3.467 -6.739 499 H ASN 71 HN ASN 71 0.449 5.150 -7.838 500 HA ASN 71 HA ASN 71 2.495 6.044 -9.683 501 HB2 ASN 71 HB2 ASN 71 0.758 3.645 -9.419 502 HB3 ASN 71 HB1 ASN 71 1.322 4.058 -11.035 503 HD21 ASN 71 HD21 ASN 71 3.798 4.935 -10.711 504 HD22 ASN 71 HD22 ASN 71 4.809 3.731 -9.998 505 H ASN 72 HN ASN 72 -1.006 6.065 -9.435 506 HA ASN 72 HA ASN 72 -1.455 6.870 -12.138 507 HB2 ASN 72 HB2 ASN 72 -3.724 6.923 -11.606 508 HB3 ASN 72 HB1 ASN 72 -3.093 5.722 -10.485 509 HD21 ASN 72 HD21 ASN 72 -2.922 6.236 -8.296 510 HD22 ASN 72 HD22 ASN 72 -3.776 7.568 -7.603 511 H LYS 73 HN LYS 73 -1.047 8.558 -9.084 512 HA LYS 73 HA LYS 73 -1.953 11.076 -9.723 513 HB2 LYS 73 HB2 LYS 73 -0.028 11.863 -8.168 514 HB3 LYS 73 HB1 LYS 73 -1.309 10.854 -7.512 515 HG2 LYS 73 HG2 LYS 73 0.076 8.933 -7.530 516 HG3 LYS 73 HG1 LYS 73 1.313 9.754 -8.483 517 HD2 LYS 73 HD2 LYS 73 1.145 11.416 -6.361 518 HD3 LYS 73 HD1 LYS 73 0.749 9.878 -5.593 519 HE2 LYS 73 HE2 LYS 73 2.825 9.016 -5.934 520 HE3 LYS 73 HE1 LYS 73 3.066 9.907 -7.436 521 HZ1 LYS 73 HZ1 LYS 73 4.532 10.886 -5.944 522 HZ2 LYS 73 HZ2 LYS 73 3.431 10.847 -4.661 523 HZ3 LYS 73 HZ3 LYS 73 3.211 11.944 -5.929 524 H ASN 74 HN ASN 74 1.231 9.680 -10.451 525 HA ASN 74 HA ASN 74 1.553 11.153 -12.814 526 HB2 ASN 74 HB2 ASN 74 3.115 12.848 -12.250 527 HB3 ASN 74 HB1 ASN 74 1.803 13.004 -11.088 528 HD21 ASN 74 HD21 ASN 74 2.222 11.444 -9.109 529 HD22 ASN 74 HD22 ASN 74 3.786 11.624 -8.399 530 H ASN 75 HN ASN 75 3.156 9.555 -10.117 531 HA ASN 75 HA ASN 75 5.605 8.934 -11.153 532 HB2 ASN 75 HB2 ASN 75 4.139 8.123 -8.960 533 HB3 ASN 75 HB1 ASN 75 4.384 6.621 -9.845 534 HD21 ASN 75 HD21 ASN 75 6.426 5.776 -10.038 535 HD22 ASN 75 HD22 ASN 75 7.777 6.369 -9.139 536 H ALA 76 HN ALA 76 6.330 6.658 -11.847 537 HA ALA 76 HA ALA 76 5.433 6.159 -14.430 538 HB1 ALA 76 HB1 ALA 76 7.575 5.377 -13.031 539 HB2 ALA 76 HB2 ALA 76 7.070 4.599 -14.531 540 HB3 ALA 76 HB3 ALA 76 6.638 3.884 -12.978 541 H LEU 77 HN LEU 77 5.037 3.485 -14.782 542 HA LEU 77 HA LEU 77 2.475 3.002 -13.409 543 HB2 LEU 77 HB2 LEU 77 2.703 3.541 -16.028 544 HB3 LEU 77 HB1 LEU 77 2.941 1.804 -16.077 545 HG LEU 77 HG LEU 77 0.627 2.217 -16.462 546 HD11 LEU 77 HD11 LEU 77 -0.409 1.186 -14.395 547 HD12 LEU 77 HD12 LEU 77 1.203 1.239 -13.679 548 HD13 LEU 77 HD13 LEU 77 0.916 0.288 -15.137 549 HD21 LEU 77 HD21 LEU 77 -0.617 3.363 -14.431 550 HD22 LEU 77 HD22 LEU 77 0.075 4.313 -15.746 551 HD23 LEU 77 HD23 LEU 77 0.951 4.144 -14.224 552 H LEU 78 HN LEU 78 4.889 2.063 -12.372 553 HA LEU 78 HA LEU 78 5.681 -0.489 -13.123 554 HB2 LEU 78 HB2 LEU 78 6.175 -0.739 -10.584 555 HB3 LEU 78 HB1 LEU 78 7.062 0.435 -11.534 556 HG LEU 78 HG LEU 78 4.832 1.827 -10.553 557 HD11 LEU 78 HD11 LEU 78 4.603 -0.136 -8.981 558 HD12 LEU 78 HD12 LEU 78 4.753 1.453 -8.232 559 HD13 LEU 78 HD13 LEU 78 6.141 0.368 -8.280 560 HD21 LEU 78 HD21 LEU 78 7.056 2.745 -10.913 561 HD22 LEU 78 HD22 LEU 78 7.687 1.771 -9.585 562 HD23 LEU 78 HD23 LEU 78 6.517 3.050 -9.262 563 H GLU 79 HN GLU 79 5.318 -2.504 -11.681 564 HA GLU 79 HA GLU 79 2.498 -2.718 -10.888 565 HB2 GLU 79 HB2 GLU 79 3.944 -4.564 -12.791 566 HB3 GLU 79 HB1 GLU 79 2.406 -4.952 -12.033 567 HG2 GLU 79 HG2 GLU 79 2.480 -2.367 -13.413 568 HG3 GLU 79 HG1 GLU 79 2.684 -3.776 -14.453 569 H PHE 80 HN PHE 80 2.173 -3.837 -9.063 570 HA PHE 80 HA PHE 80 4.480 -4.895 -7.674 571 HB2 PHE 80 HB2 PHE 80 3.300 -4.563 -5.763 572 HB3 PHE 80 HB1 PHE 80 2.308 -3.542 -6.795 573 HD1 PHE 80 HD1 PHE 80 0.188 -4.484 -7.755 574 HD2 PHE 80 HD2 PHE 80 2.426 -6.480 -4.736 575 HE1 PHE 80 HE1 PHE 80 -1.780 -5.857 -7.208 576 HE2 PHE 80 HE2 PHE 80 0.463 -7.857 -4.184 577 HZ PHE 80 HZ PHE 80 -1.643 -7.546 -5.423 578 H VAL 81 HN VAL 81 4.680 -7.022 -6.881 579 HA VAL 81 HA VAL 81 3.207 -8.999 -8.480 580 HB VAL 81 HB VAL 81 5.065 -10.564 -7.771 581 HG11 VAL 81 HG11 VAL 81 4.869 -8.914 -9.894 582 HG12 VAL 81 HG12 VAL 81 6.174 -10.080 -9.673 583 HG13 VAL 81 HG13 VAL 81 6.415 -8.390 -9.229 584 HG21 VAL 81 HG21 VAL 81 7.091 -9.672 -6.885 585 HG22 VAL 81 HG22 VAL 81 5.778 -9.141 -5.835 586 HG23 VAL 81 HG23 VAL 81 6.483 -8.021 -7.000 587 H ARG 82 HN ARG 82 4.165 -8.168 -5.195 588 HA ARG 82 HA ARG 82 1.915 -9.221 -3.970 589 HB2 ARG 82 HB2 ARG 82 2.873 -11.233 -2.853 590 HB3 ARG 82 HB1 ARG 82 2.630 -11.424 -4.585 591 HG2 ARG 82 HG2 ARG 82 5.097 -10.664 -4.745 592 HG3 ARG 82 HG1 ARG 82 5.163 -11.147 -3.051 593 HD2 ARG 82 HD2 ARG 82 4.967 -13.353 -3.531 594 HD3 ARG 82 HD1 ARG 82 3.900 -13.065 -4.905 595 HE ARG 82 HE ARG 82 5.728 -13.153 -6.259 596 HH11 ARG 82 HH11 ARG 82 6.807 -12.415 -3.024 597 HH12 ARG 82 HH12 ARG 82 8.487 -12.487 -3.433 598 HH21 ARG 82 HH21 ARG 82 7.938 -13.249 -6.800 599 HH22 ARG 82 HH22 ARG 82 9.130 -12.960 -5.577 600 H VAL 83 HN VAL 83 2.141 -9.356 -1.565 601 HA VAL 83 HA VAL 83 3.945 -7.260 -0.687 602 HB VAL 83 HB VAL 83 2.666 -7.127 1.302 603 HG11 VAL 83 HG11 VAL 83 1.467 -6.970 -1.241 604 HG12 VAL 83 HG12 VAL 83 1.004 -6.120 0.234 605 HG13 VAL 83 HG13 VAL 83 0.269 -7.675 -0.155 606 HG21 VAL 83 HG21 VAL 83 2.324 -9.223 2.155 607 HG22 VAL 83 HG22 VAL 83 1.822 -9.894 0.603 608 HG23 VAL 83 HG23 VAL 83 0.711 -8.881 1.526 609 H VAL 84 HN VAL 84 5.544 -7.470 0.834 610 HA VAL 84 HA VAL 84 6.245 -10.227 1.600 611 HB VAL 84 HB VAL 84 7.839 -9.309 -0.011 612 HG11 VAL 84 HG11 VAL 84 9.100 -7.363 1.715 613 HG12 VAL 84 HG12 VAL 84 7.437 -6.913 1.337 614 HG13 VAL 84 HG13 VAL 84 8.587 -7.215 0.035 615 HG21 VAL 84 HG21 VAL 84 9.872 -9.750 1.226 616 HG22 VAL 84 HG22 VAL 84 8.605 -10.860 1.748 617 HG23 VAL 84 HG23 VAL 84 9.035 -9.476 2.754 618 H LYS 85 HN LYS 85 5.458 -7.107 2.737 619 HA LYS 85 HA LYS 85 5.971 -7.969 5.469 620 HB2 LYS 85 HB2 LYS 85 6.859 -5.208 4.704 621 HB3 LYS 85 HB1 LYS 85 7.292 -6.156 6.119 622 HG2 LYS 85 HG2 LYS 85 8.526 -7.703 4.561 623 HG3 LYS 85 HG1 LYS 85 8.266 -6.496 3.300 624 HD2 LYS 85 HD2 LYS 85 9.278 -4.876 5.116 625 HD3 LYS 85 HD1 LYS 85 9.984 -6.371 5.732 626 HE2 LYS 85 HE2 LYS 85 10.528 -6.613 3.096 627 HE3 LYS 85 HE1 LYS 85 10.581 -4.860 3.274 628 HZ1 LYS 85 HZ1 LYS 85 12.018 -6.533 5.212 629 HZ2 LYS 85 HZ2 LYS 85 12.365 -4.965 4.682 630 HZ3 LYS 85 HZ3 LYS 85 12.698 -6.288 3.682 631 H ALA 86 HN ALA 86 4.831 -6.719 7.062 632 HA ALA 86 HA ALA 86 2.909 -4.750 6.175 633 HB1 ALA 86 HB1 ALA 86 1.071 -6.225 7.354 634 HB2 ALA 86 HB2 ALA 86 2.131 -7.541 6.848 635 HB3 ALA 86 HB3 ALA 86 1.460 -6.439 5.647 636 H LYS 87 HN LYS 87 2.568 -3.301 7.744 637 HA LYS 87 HA LYS 87 2.923 -4.106 10.540 638 HB2 LYS 87 HB2 LYS 87 4.286 -1.760 9.210 639 HB3 LYS 87 HB1 LYS 87 4.207 -1.994 10.950 640 HG2 LYS 87 HG2 LYS 87 6.204 -2.970 10.635 641 HG3 LYS 87 HG1 LYS 87 5.220 -4.371 10.208 642 HD2 LYS 87 HD2 LYS 87 5.318 -3.596 7.825 643 HD3 LYS 87 HD1 LYS 87 6.488 -2.378 8.336 644 HE2 LYS 87 HE2 LYS 87 6.875 -5.310 8.873 645 HE3 LYS 87 HE1 LYS 87 7.417 -4.547 7.379 646 HZ1 LYS 87 HZ1 LYS 87 8.676 -2.958 8.829 647 HZ2 LYS 87 HZ2 LYS 87 9.243 -4.551 8.851 648 HZ3 LYS 87 HZ3 LYS 87 8.320 -3.965 10.141 649 H GLU 88 HN GLU 88 1.875 -2.744 12.067 650 HA GLU 88 HA GLU 88 -0.261 -1.104 10.874 651 HB2 GLU 88 HB2 GLU 88 -1.610 -1.634 12.831 652 HB3 GLU 88 HB1 GLU 88 -1.060 -3.111 12.052 653 HG2 GLU 88 HG2 GLU 88 0.608 -2.038 14.247 654 HG3 GLU 88 HG1 GLU 88 -0.951 -2.740 14.678 655 H GLN 89 HN GLN 89 -1.011 0.734 12.154 656 HA GLN 89 HA GLN 89 0.595 1.767 14.278 657 HB2 GLN 89 HB2 GLN 89 2.086 2.241 12.377 658 HB3 GLN 89 HB1 GLN 89 0.790 3.124 11.582 659 HG2 GLN 89 HG2 GLN 89 1.767 4.908 12.511 660 HG3 GLN 89 HG1 GLN 89 0.876 4.413 13.949 661 HE21 GLN 89 HE21 GLN 89 2.101 2.662 15.239 662 HE22 GLN 89 HE22 GLN 89 3.771 2.995 15.529 663 H VAL 90 HN VAL 90 -0.416 3.437 15.353 664 HA VAL 90 HA VAL 90 -3.084 4.143 14.334 665 HB VAL 90 HB VAL 90 -2.116 4.368 17.183 666 HG11 VAL 90 HG11 VAL 90 -4.653 4.289 17.552 667 HG12 VAL 90 HG12 VAL 90 -4.778 4.664 15.834 668 HG13 VAL 90 HG13 VAL 90 -3.957 5.782 16.923 669 HG21 VAL 90 HG21 VAL 90 -3.564 2.318 17.527 670 HG22 VAL 90 HG22 VAL 90 -2.028 2.056 16.701 671 HG23 VAL 90 HG23 VAL 90 -3.528 2.115 15.775 672 H VAL 91 HN VAL 91 -3.361 6.129 13.597 673 HA VAL 91 HA VAL 91 -2.255 8.416 14.951 674 HB VAL 91 HB VAL 91 -1.207 9.323 12.827 675 HG11 VAL 91 HG11 VAL 91 0.221 6.908 13.906 676 HG12 VAL 91 HG12 VAL 91 0.010 8.386 14.844 677 HG13 VAL 91 HG13 VAL 91 0.914 8.424 13.330 678 HG21 VAL 91 HG21 VAL 91 -0.983 8.085 10.969 679 HG22 VAL 91 HG22 VAL 91 -2.286 7.113 11.652 680 HG23 VAL 91 HG23 VAL 91 -0.608 6.618 11.874 681 H SER 92 HN SER 92 -4.283 9.254 15.166 682 HA SER 92 HA SER 92 -6.194 10.355 14.612 683 HB2 SER 92 HB2 SER 92 -4.747 10.731 11.979 684 HB3 SER 92 HB1 SER 92 -6.218 11.582 12.449 685 HG SER 92 HG SER 92 -5.021 12.410 14.252 686 H GLY 93 HN GLY 93 -5.886 7.452 14.080 687 HA2 GLY 93 HA2 GLY 93 -8.290 6.626 13.329 688 HA3 GLY 93 HA1 GLY 93 -7.597 7.009 11.761 689 H MET 94 HN MET 94 -6.592 5.414 10.739 690 HA MET 94 HA MET 94 -5.198 3.359 12.274 691 HB2 MET 94 HB2 MET 94 -7.441 2.807 10.331 692 HB3 MET 94 HB1 MET 94 -6.278 1.584 10.824 693 HG2 MET 94 HG2 MET 94 -7.935 3.110 12.804 694 HG3 MET 94 HG1 MET 94 -8.500 1.627 12.038 695 HE1 MET 94 HE1 MET 94 -7.626 3.003 14.863 696 HE2 MET 94 HE2 MET 94 -5.887 2.828 15.102 697 HE3 MET 94 HE3 MET 94 -7.002 1.712 15.890 698 H MET 95 HN MET 95 -3.219 3.326 11.461 699 HA MET 95 HA MET 95 -2.870 3.730 8.564 700 HB2 MET 95 HB2 MET 95 -1.802 5.290 10.433 701 HB3 MET 95 HB1 MET 95 -0.583 4.024 10.452 702 HG2 MET 95 HG2 MET 95 0.032 4.418 8.236 703 HG3 MET 95 HG1 MET 95 -1.441 5.324 7.896 704 HE1 MET 95 HE1 MET 95 -0.440 8.834 8.283 705 HE2 MET 95 HE2 MET 95 -1.835 7.761 8.389 706 HE3 MET 95 HE3 MET 95 -0.713 7.618 7.036 707 H HIS 96 HN HIS 96 -1.540 2.343 7.407 708 HA HIS 96 HA HIS 96 -0.422 0.045 8.843 709 HB2 HIS 96 HB2 HIS 96 -2.760 -0.402 7.849 710 HB3 HIS 96 HB1 HIS 96 -1.954 -0.352 6.284 711 HD1 HIS 96 HD1 HIS 96 -1.423 -2.174 9.591 712 HD2 HIS 96 HD2 HIS 96 -1.171 -2.806 5.492 713 HE1 HIS 96 HE1 HIS 96 -0.762 -4.586 9.323 714 HE2 HIS 96 HE2 HIS 96 -0.701 -4.968 6.833 715 H TYR 97 HN TYR 97 1.652 -0.073 8.353 716 HA TYR 97 HA TYR 97 2.584 0.935 5.761 717 HB2 TYR 97 HB2 TYR 97 4.050 0.321 8.333 718 HB3 TYR 97 HB1 TYR 97 4.858 0.784 6.839 719 HD1 TYR 97 HD2 TYR 97 1.943 2.030 8.838 720 HD2 TYR 97 HD1 TYR 97 5.547 2.975 6.783 721 HE1 TYR 97 HE2 TYR 97 1.644 4.400 9.417 722 HE2 TYR 97 HE1 TYR 97 5.258 5.349 7.358 723 HH TYR 97 HH TYR 97 3.500 6.890 7.990 724 H LEU 98 HN LEU 98 2.410 -0.662 4.285 725 HA LEU 98 HA LEU 98 3.543 -3.292 4.988 726 HB2 LEU 98 HB2 LEU 98 2.062 -4.298 3.391 727 HB3 LEU 98 HB1 LEU 98 1.124 -3.311 4.497 728 HG LEU 98 HG LEU 98 1.920 -1.845 2.106 729 HD11 LEU 98 HD11 LEU 98 0.352 -3.006 0.599 730 HD12 LEU 98 HD12 LEU 98 0.197 -4.296 1.792 731 HD13 LEU 98 HD13 LEU 98 1.754 -3.991 1.021 732 HD21 LEU 98 HD21 LEU 98 -0.613 -2.392 3.617 733 HD22 LEU 98 HD22 LEU 98 -0.614 -1.511 2.090 734 HD23 LEU 98 HD23 LEU 98 0.284 -0.881 3.470 735 H THR 99 HN THR 99 5.006 -4.252 3.642 736 HA THR 99 HA THR 99 6.026 -2.572 1.451 737 HB THR 99 HB THR 99 7.640 -4.790 2.628 738 HG1 THR 99 HG1 THR 99 8.374 -3.324 4.239 739 HG21 THR 99 HG21 THR 99 8.230 -2.982 0.732 740 HG22 THR 99 HG22 THR 99 9.427 -3.725 1.792 741 HG23 THR 99 HG23 THR 99 8.788 -2.126 2.170 742 H VAL 100 HN VAL 100 6.118 -3.381 -0.580 743 HA VAL 100 HA VAL 100 5.627 -6.251 -0.950 744 HB VAL 100 HB VAL 100 3.942 -5.944 -2.571 745 HG11 VAL 100 HG11 VAL 100 3.161 -3.819 -0.615 746 HG12 VAL 100 HG12 VAL 100 3.392 -5.485 -0.083 747 HG13 VAL 100 HG13 VAL 100 2.184 -5.110 -1.313 748 HG21 VAL 100 HG21 VAL 100 5.096 -3.285 -2.829 749 HG22 VAL 100 HG22 VAL 100 3.332 -3.263 -2.805 750 HG23 VAL 100 HG23 VAL 100 4.186 -4.243 -3.998 751 H GLU 101 HN GLU 101 6.144 -7.015 -3.142 752 HA GLU 101 HA GLU 101 8.569 -5.721 -4.098 753 HB2 GLU 101 HB2 GLU 101 7.402 -8.427 -4.237 754 HB3 GLU 101 HB1 GLU 101 8.264 -7.919 -5.683 755 HG2 GLU 101 HG2 GLU 101 10.273 -7.562 -4.450 756 HG3 GLU 101 HG1 GLU 101 9.436 -7.806 -2.917 757 H VAL 102 HN VAL 102 8.721 -4.597 -5.947 758 HA VAL 102 HA VAL 102 6.415 -4.658 -7.781 759 HB VAL 102 HB VAL 102 8.086 -2.218 -7.205 760 HG11 VAL 102 HG11 VAL 102 7.008 -1.284 -8.902 761 HG12 VAL 102 HG12 VAL 102 5.450 -1.706 -8.191 762 HG13 VAL 102 HG13 VAL 102 6.269 -2.844 -9.260 763 HG21 VAL 102 HG21 VAL 102 5.386 -2.961 -6.085 764 HG22 VAL 102 HG22 VAL 102 6.176 -1.396 -5.896 765 HG23 VAL 102 HG23 VAL 102 6.895 -2.840 -5.181 766 H ASN 103 HN ASN 103 6.809 -4.582 -9.950 767 HA ASN 103 HA ASN 103 9.631 -4.699 -10.782 768 HB2 ASN 103 HB2 ASN 103 8.462 -6.894 -10.928 769 HB3 ASN 103 HB1 ASN 103 7.304 -6.170 -12.039 770 HD21 ASN 103 HD21 ASN 103 10.527 -7.345 -11.621 771 HD22 ASN 103 HD22 ASN 103 10.981 -7.308 -13.288 772 H ASP 104 HN ASP 104 10.173 -3.748 -12.772 773 HA ASP 104 HA ASP 104 8.119 -2.276 -14.214 774 HB2 ASP 104 HB2 ASP 104 9.178 -0.875 -12.269 775 HB3 ASP 104 HB1 ASP 104 10.548 -0.737 -13.368 776 H ALA 105 HN ALA 105 8.460 -3.139 -16.170 777 HA ALA 105 HA ALA 105 9.472 -3.722 -18.124 778 HB1 ALA 105 HB1 ALA 105 10.738 -2.099 -19.076 779 HB2 ALA 105 HB2 ALA 105 11.779 -1.926 -17.663 780 HB3 ALA 105 HB3 ALA 105 10.177 -1.188 -17.674 781 H GLY 106 HN GLY 106 10.192 -5.168 -15.680 782 HA2 GLY 106 HA2 GLY 106 11.517 -7.180 -15.756 783 HA3 GLY 106 HA1 GLY 106 12.743 -6.286 -16.643 784 H LYS 107 HN LYS 107 12.457 -3.968 -14.788 785 HA LYS 107 HA LYS 107 14.483 -4.726 -12.951 786 HB2 LYS 107 HB2 LYS 107 12.903 -2.258 -13.491 787 HB3 LYS 107 HB1 LYS 107 13.731 -2.380 -11.944 788 HG2 LYS 107 HG2 LYS 107 15.806 -2.973 -13.354 789 HG3 LYS 107 HG1 LYS 107 14.890 -2.290 -14.699 790 HD2 LYS 107 HD2 LYS 107 15.230 -0.781 -12.129 791 HD3 LYS 107 HD1 LYS 107 16.475 -0.744 -13.379 792 HE2 LYS 107 HE2 LYS 107 15.004 0.235 -14.949 793 HE3 LYS 107 HE1 LYS 107 13.593 -0.100 -13.945 794 HZ1 LYS 107 HZ1 LYS 107 15.606 2.013 -13.677 795 HZ2 LYS 107 HZ2 LYS 107 14.880 1.419 -12.270 796 HZ3 LYS 107 HZ3 LYS 107 13.926 2.095 -13.492 797 H LYS 108 HN LYS 108 14.099 -6.038 -11.292 798 HA LYS 108 HA LYS 108 11.533 -5.894 -9.891 799 HB2 LYS 108 HB2 LYS 108 12.287 -8.108 -10.612 800 HB3 LYS 108 HB1 LYS 108 13.778 -7.912 -9.701 801 HG2 LYS 108 HG2 LYS 108 12.636 -9.125 -8.183 802 HG3 LYS 108 HG1 LYS 108 12.031 -7.533 -7.720 803 HD2 LYS 108 HD2 LYS 108 10.308 -8.245 -9.722 804 HD3 LYS 108 HD1 LYS 108 10.636 -9.796 -8.948 805 HE2 LYS 108 HE2 LYS 108 8.895 -9.097 -7.653 806 HE3 LYS 108 HE1 LYS 108 10.230 -8.376 -6.754 807 HZ1 LYS 108 HZ1 LYS 108 9.104 -6.756 -8.888 808 HZ2 LYS 108 HZ2 LYS 108 9.624 -6.304 -7.344 809 HZ3 LYS 108 HZ3 LYS 108 8.101 -7.010 -7.549 810 H LYS 109 HN LYS 109 11.319 -5.101 -7.881 811 HA LYS 109 HA LYS 109 13.569 -4.901 -6.087 812 HB2 LYS 109 HB2 LYS 109 12.490 -2.537 -7.536 813 HB3 LYS 109 HB1 LYS 109 12.891 -2.331 -5.836 814 HG2 LYS 109 HG2 LYS 109 15.123 -3.561 -6.693 815 HG3 LYS 109 HG1 LYS 109 14.647 -2.716 -8.167 816 HD2 LYS 109 HD2 LYS 109 14.602 -0.605 -6.985 817 HD3 LYS 109 HD1 LYS 109 14.953 -1.420 -5.459 818 HE2 LYS 109 HE2 LYS 109 16.782 -1.493 -7.851 819 HE3 LYS 109 HE1 LYS 109 16.917 -0.303 -6.557 820 HZ1 LYS 109 HZ1 LYS 109 16.816 -3.088 -5.731 821 HZ2 LYS 109 HZ2 LYS 109 17.757 -1.815 -5.135 822 HZ3 LYS 109 HZ3 LYS 109 18.217 -2.613 -6.553 823 H LEU 110 HN LEU 110 12.860 -3.696 -4.024 824 HA LEU 110 HA LEU 110 10.073 -4.450 -3.430 825 HB2 LEU 110 HB2 LEU 110 11.478 -5.894 -2.197 826 HB3 LEU 110 HB1 LEU 110 12.573 -4.595 -1.766 827 HG LEU 110 HG LEU 110 10.990 -3.681 -0.204 828 HD11 LEU 110 HD11 LEU 110 8.871 -5.246 0.137 829 HD12 LEU 110 HD12 LEU 110 9.112 -5.506 -1.591 830 HD13 LEU 110 HD13 LEU 110 8.862 -3.874 -0.972 831 HD21 LEU 110 HD21 LEU 110 12.355 -5.912 0.224 832 HD22 LEU 110 HD22 LEU 110 10.730 -6.574 0.408 833 HD23 LEU 110 HD23 LEU 110 11.261 -5.240 1.433 834 H TYR 111 HN TYR 111 8.764 -2.802 -3.002 835 HA TYR 111 HA TYR 111 9.940 -0.330 -1.907 836 HB2 TYR 111 HB2 TYR 111 7.494 -0.467 -3.673 837 HB3 TYR 111 HB1 TYR 111 8.369 0.972 -3.165 838 HD1 TYR 111 HD1 TYR 111 11.177 -0.245 -3.663 839 HD2 TYR 111 HD2 TYR 111 7.640 -0.045 -6.021 840 HE1 TYR 111 HE1 TYR 111 12.540 -0.353 -5.706 841 HE2 TYR 111 HE2 TYR 111 8.994 -0.155 -8.070 842 HH TYR 111 HH TYR 111 11.392 -1.120 -8.644 843 H GLU 112 HN GLU 112 8.853 0.734 -0.286 844 HA GLU 112 HA GLU 112 6.806 -0.847 1.082 845 HB2 GLU 112 HB2 GLU 112 9.053 0.250 2.079 846 HB3 GLU 112 HB1 GLU 112 7.934 1.577 2.361 847 HG2 GLU 112 HG2 GLU 112 6.910 -1.036 3.173 848 HG3 GLU 112 HG1 GLU 112 8.354 -0.521 4.043 849 H ALA 113 HN ALA 113 4.858 0.047 1.790 850 HA ALA 113 HA ALA 113 4.159 2.707 0.762 851 HB1 ALA 113 HB1 ALA 113 2.441 2.011 -0.538 852 HB2 ALA 113 HB2 ALA 113 2.072 0.632 0.498 853 HB3 ALA 113 HB3 ALA 113 3.418 0.546 -0.639 854 H LYS 114 HN LYS 114 2.973 3.903 2.148 855 HA LYS 114 HA LYS 114 1.881 2.515 4.506 856 HB2 LYS 114 HB2 LYS 114 2.215 4.621 5.754 857 HB3 LYS 114 HB1 LYS 114 3.720 3.938 5.155 858 HG2 LYS 114 HG2 LYS 114 3.251 5.547 3.135 859 HG3 LYS 114 HG1 LYS 114 2.301 6.412 4.342 860 HD2 LYS 114 HD2 LYS 114 4.450 7.371 4.443 861 HD3 LYS 114 HD1 LYS 114 4.361 6.284 5.829 862 HE2 LYS 114 HE2 LYS 114 5.635 4.611 4.674 863 HE3 LYS 114 HE1 LYS 114 5.587 5.543 3.178 864 HZ1 LYS 114 HZ1 LYS 114 7.008 6.258 5.683 865 HZ2 LYS 114 HZ2 LYS 114 6.844 7.302 4.362 866 HZ3 LYS 114 HZ3 LYS 114 7.702 5.855 4.193 867 H VAL 115 HN VAL 115 -0.242 2.436 4.539 868 HA VAL 115 HA VAL 115 -1.772 4.527 3.150 869 HB VAL 115 HB VAL 115 -2.775 1.817 4.022 870 HG11 VAL 115 HG11 VAL 115 -3.889 3.868 2.110 871 HG12 VAL 115 HG12 VAL 115 -4.520 3.478 3.710 872 HG13 VAL 115 HG13 VAL 115 -4.581 2.276 2.421 873 HG21 VAL 115 HG21 VAL 115 -1.271 2.659 1.616 874 HG22 VAL 115 HG22 VAL 115 -2.646 1.585 1.362 875 HG23 VAL 115 HG23 VAL 115 -1.330 1.095 2.429 876 H TRP 116 HN TRP 116 -3.600 5.452 4.130 877 HA TRP 116 HA TRP 116 -3.790 5.087 7.046 878 HB2 TRP 116 HB2 TRP 116 -2.578 7.171 6.502 879 HB3 TRP 116 HB1 TRP 116 -3.955 7.713 5.552 880 HD1 TRP 116 HD1 TRP 116 -3.752 6.306 9.176 881 HE1 TRP 116 HE1 TRP 116 -4.999 7.945 10.721 882 HE3 TRP 116 HE3 TRP 116 -5.062 9.841 5.722 883 HZ2 TRP 116 HZ2 TRP 116 -6.357 10.411 10.503 884 HZ3 TRP 116 HZ3 TRP 116 -6.335 11.809 6.472 885 HH2 TRP 116 HH2 TRP 116 -6.970 12.086 8.814 886 H GLU 117 HN GLU 117 -5.819 5.132 7.930 887 HA GLU 117 HA GLU 117 -8.107 5.861 6.300 888 HB2 GLU 117 HB2 GLU 117 -7.726 3.518 5.687 889 HB3 GLU 117 HB1 GLU 117 -7.761 3.059 7.384 890 HG2 GLU 117 HG2 GLU 117 -10.044 3.400 7.564 891 HG3 GLU 117 HG1 GLU 117 -10.100 4.444 6.144 892 H GLN 118 HN GLN 118 -9.440 6.983 7.557 893 HA GLN 118 HA GLN 118 -9.270 6.652 10.457 894 HB2 GLN 118 HB2 GLN 118 -10.895 8.788 9.133 895 HB3 GLN 118 HB1 GLN 118 -10.052 8.823 10.673 896 HG2 GLN 118 HG2 GLN 118 -8.679 10.166 9.477 897 HG3 GLN 118 HG1 GLN 118 -7.931 8.610 9.119 898 HE21 GLN 118 HE21 GLN 118 -7.343 8.497 7.085 899 HE22 GLN 118 HE22 GLN 118 -8.221 9.110 5.729 900 H VAL 119 HN VAL 119 -11.463 7.115 11.594 901 HA VAL 119 HA VAL 119 -13.513 5.429 10.309 902 HB VAL 119 HB VAL 119 -12.514 4.354 12.279 903 HG11 VAL 119 HG11 VAL 119 -12.669 5.266 14.472 904 HG12 VAL 119 HG12 VAL 119 -13.650 6.618 13.907 905 HG13 VAL 119 HG13 VAL 119 -11.953 6.504 13.441 906 HG21 VAL 119 HG21 VAL 119 -14.487 3.509 13.024 907 HG22 VAL 119 HG22 VAL 119 -15.103 4.417 11.644 908 HG23 VAL 119 HG23 VAL 119 -15.206 5.101 13.266 909 H TRP 120 HN TRP 120 -12.918 8.258 12.329 910 HA TRP 120 HA TRP 120 -15.710 8.995 12.398 911 HB2 TRP 120 HB2 TRP 120 -14.861 11.042 13.553 912 HB3 TRP 120 HB1 TRP 120 -14.371 9.538 14.327 913 HD1 TRP 120 HD1 TRP 120 -12.944 12.457 12.290 914 HE1 TRP 120 HE1 TRP 120 -10.387 12.481 12.579 915 HE3 TRP 120 HE3 TRP 120 -12.376 8.074 14.859 916 HZ2 TRP 120 HZ2 TRP 120 -8.393 10.856 13.741 917 HZ3 TRP 120 HZ3 TRP 120 -10.110 7.380 15.521 918 HH2 TRP 120 HH2 TRP 120 -8.161 8.743 14.972 919 H MET 121 HN MET 121 -13.008 9.557 10.346 920 HA MET 121 HA MET 121 -14.281 11.879 9.100 921 HB2 MET 121 HB2 MET 121 -11.891 12.063 9.607 922 HB3 MET 121 HB1 MET 121 -11.564 10.637 8.632 923 HG2 MET 121 HG2 MET 121 -11.536 11.806 6.743 924 HG3 MET 121 HG1 MET 121 -13.013 12.672 7.159 925 HE1 MET 121 HE1 MET 121 -10.143 13.863 5.650 926 HE2 MET 121 HE2 MET 121 -9.348 12.686 6.695 927 HE3 MET 121 HE3 MET 121 -8.972 14.401 6.854 928 H ASN 122 HN ASN 122 -13.666 8.510 8.621 929 HA ASN 122 HA ASN 122 -14.301 7.037 7.019 930 HB2 ASN 122 HB2 ASN 122 -16.202 9.300 6.617 931 HB3 ASN 122 HB1 ASN 122 -16.134 8.049 5.380 932 HD21 ASN 122 HD21 ASN 122 -15.961 8.055 8.926 933 HD22 ASN 122 HD22 ASN 122 -17.210 6.883 9.157 934 H PHE 123 HN PHE 123 -11.936 8.066 6.483 935 HA PHE 123 HA PHE 123 -11.966 8.347 3.570 936 HB2 PHE 123 HB2 PHE 123 -11.483 10.519 5.216 937 HB3 PHE 123 HB1 PHE 123 -9.865 9.957 4.810 938 HD1 PHE 123 HD2 PHE 123 -9.799 9.204 2.152 939 HD2 PHE 123 HD1 PHE 123 -12.216 12.236 3.904 940 HE1 PHE 123 HE2 PHE 123 -9.953 10.334 -0.028 941 HE2 PHE 123 HE1 PHE 123 -12.376 13.372 1.727 942 HZ PHE 123 HZ PHE 123 -11.243 12.421 -0.242 943 H ARG 124 HN ARG 124 -10.319 7.314 2.533 944 HA ARG 124 HA ARG 124 -8.086 6.263 4.091 945 HB2 ARG 124 HB2 ARG 124 -9.826 4.519 4.171 946 HB3 ARG 124 HB1 ARG 124 -9.887 4.507 2.415 947 HG2 ARG 124 HG2 ARG 124 -7.244 4.054 3.653 948 HG3 ARG 124 HG1 ARG 124 -8.445 2.775 3.838 949 HD2 ARG 124 HD2 ARG 124 -7.676 4.011 1.199 950 HD3 ARG 124 HD1 ARG 124 -6.971 2.530 1.839 951 HE ARG 124 HE ARG 124 -9.013 1.427 1.501 952 HH11 ARG 124 HH11 ARG 124 -9.159 4.766 0.468 953 HH12 ARG 124 HH12 ARG 124 -10.586 4.533 -0.483 954 HH21 ARG 124 HH21 ARG 124 -10.888 1.133 0.252 955 HH22 ARG 124 HH22 ARG 124 -11.568 2.476 -0.604 956 H GLN 125 HN GLN 125 -6.237 6.503 3.010 957 HA GLN 125 HA GLN 125 -6.051 6.082 0.183 958 HB2 GLN 125 HB2 GLN 125 -5.389 8.318 -0.469 959 HB3 GLN 125 HB1 GLN 125 -6.995 8.366 0.243 960 HG2 GLN 125 HG2 GLN 125 -4.529 8.970 1.837 961 HG3 GLN 125 HG1 GLN 125 -5.367 10.201 0.895 962 HE21 GLN 125 HE21 GLN 125 -5.094 10.522 3.572 963 HE22 GLN 125 HE22 GLN 125 -6.621 10.332 4.357 964 H LEU 126 HN LEU 126 -3.775 6.778 -0.601 965 HA LEU 126 HA LEU 126 -1.882 5.663 1.291 966 HB2 LEU 126 HB2 LEU 126 -1.742 4.804 -0.923 967 HB3 LEU 126 HB1 LEU 126 -1.716 6.411 -1.621 968 HG LEU 126 HG LEU 126 0.518 5.758 0.208 969 HD11 LEU 126 HD11 LEU 126 0.857 3.763 -0.789 970 HD12 LEU 126 HD12 LEU 126 1.554 4.766 -2.062 971 HD13 LEU 126 HD13 LEU 126 -0.104 4.185 -2.206 972 HD21 LEU 126 HD21 LEU 126 1.777 6.989 -1.496 973 HD22 LEU 126 HD22 LEU 126 0.382 7.905 -0.927 974 HD23 LEU 126 HD23 LEU 126 0.324 7.091 -2.490 975 H GLN 127 HN GLN 127 -0.165 6.715 2.202 976 HA GLN 127 HA GLN 127 -0.229 9.637 2.029 977 HB2 GLN 127 HB2 GLN 127 0.835 7.708 4.070 978 HB3 GLN 127 HB1 GLN 127 1.357 9.387 4.060 979 HG2 GLN 127 HG2 GLN 127 -0.472 8.997 5.629 980 HG3 GLN 127 HG1 GLN 127 -0.921 10.132 4.357 981 HE21 GLN 127 HE21 GLN 127 -2.912 9.849 3.693 982 HE22 GLN 127 HE22 GLN 127 -3.739 8.339 3.545 983 H GLU 128 HN GLU 128 2.202 7.022 2.158 984 HA GLU 128 HA GLU 128 3.799 8.498 0.215 985 HB2 GLU 128 HB2 GLU 128 5.202 7.444 2.642 986 HB3 GLU 128 HB1 GLU 128 5.740 8.655 1.489 987 HG2 GLU 128 HG2 GLU 128 3.441 9.116 3.363 988 HG3 GLU 128 HG1 GLU 128 5.112 9.478 3.790 989 H PHE 129 HN PHE 129 5.457 7.274 -0.782 990 HA PHE 129 HA PHE 129 5.324 4.365 -0.425 991 HB2 PHE 129 HB2 PHE 129 3.899 5.380 -2.397 992 HB3 PHE 129 HB1 PHE 129 5.463 5.505 -3.194 993 HD1 PHE 129 HD2 PHE 129 6.728 3.495 -3.769 994 HD2 PHE 129 HD1 PHE 129 2.853 3.262 -2.026 995 HE1 PHE 129 HE2 PHE 129 6.565 1.139 -4.455 996 HE2 PHE 129 HE1 PHE 129 2.684 0.904 -2.708 997 HZ PHE 129 HZ PHE 129 4.542 -0.161 -3.926 998 H THR 130 HN THR 130 7.344 3.857 0.166 999 HA THR 130 HA THR 130 9.589 5.335 -0.997 1000 HB THR 130 HB THR 130 10.910 4.550 0.819 1001 HG1 THR 130 HG1 THR 130 10.474 2.487 1.159 1002 HG21 THR 130 HG21 THR 130 8.967 6.203 1.339 1003 HG22 THR 130 HG22 THR 130 9.914 5.495 2.648 1004 HG23 THR 130 HG23 THR 130 8.323 4.842 2.257 1005 H TYR 131 HN TYR 131 11.399 4.265 -1.890 1006 HA TYR 131 HA TYR 131 10.777 1.583 -2.935 1007 HB2 TYR 131 HB2 TYR 131 12.332 2.176 -4.805 1008 HB3 TYR 131 HB1 TYR 131 10.890 3.182 -4.729 1009 HD1 TYR 131 HD1 TYR 131 11.064 5.509 -3.838 1010 HD2 TYR 131 HD2 TYR 131 14.502 3.115 -4.578 1011 HE1 TYR 131 HE1 TYR 131 12.469 7.526 -3.802 1012 HE2 TYR 131 HE2 TYR 131 15.917 5.125 -4.543 1013 HH TYR 131 HH TYR 131 15.272 7.839 -5.050 1014 H LEU 132 HN LEU 132 11.845 0.083 -1.825 1015 HA LEU 132 HA LEU 132 14.418 0.673 -0.622 1016 HB2 LEU 132 HB2 LEU 132 13.153 -2.036 -0.578 1017 HB3 LEU 132 HB1 LEU 132 14.153 -1.260 0.636 1018 HG LEU 132 HG LEU 132 11.262 -0.649 0.023 1019 HD11 LEU 132 HD11 LEU 132 12.005 -2.718 1.398 1020 HD12 LEU 132 HD12 LEU 132 10.727 -1.675 2.021 1021 HD13 LEU 132 HD13 LEU 132 12.367 -1.535 2.654 1022 HD21 LEU 132 HD21 LEU 132 13.265 0.747 1.768 1023 HD22 LEU 132 HD22 LEU 132 11.534 0.826 2.095 1024 HD23 LEU 132 HD23 LEU 132 12.172 1.436 0.568 1025 H GLY 133 HN GLY 133 15.750 -1.696 -0.720 1026 HA2 GLY 133 HA2 GLY 133 16.905 -1.603 -3.334 1027 HA3 GLY 133 HA1 GLY 133 17.368 -2.687 -2.031 1028 H ASP 134 HN ASP 134 15.766 -4.493 -1.602 1029 HA ASP 134 HA ASP 134 13.937 -5.335 -3.558 1030 HB2 ASP 134 HB2 ASP 134 16.115 -5.527 -4.852 1031 HB3 ASP 134 HB1 ASP 134 16.561 -6.817 -3.740 1032 H ALA 135 HN ALA 135 13.128 -7.508 -3.168 1033 HA ALA 135 HA ALA 135 13.623 -8.338 -0.393 1034 HB1 ALA 135 HB1 ALA 135 11.252 -9.171 -2.031 1035 HB2 ALA 135 HB2 ALA 135 11.300 -7.615 -1.200 1036 HB3 ALA 135 HB3 ALA 135 11.423 -9.112 -0.276 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 8.734 1.977 19.775 2 H2 MET 1 HT2 MET 1 8.201 3.608 19.788 3 H3 MET 1 HT3 MET 1 9.671 3.177 20.562 4 HA MET 1 HA MET 1 10.636 2.590 18.485 5 HB2 MET 1 HB2 MET 1 8.094 2.183 17.673 6 HB3 MET 1 HB1 MET 1 8.372 3.774 16.979 7 HG2 MET 1 HG2 MET 1 8.873 2.036 15.375 8 HG3 MET 1 HG1 MET 1 10.334 2.925 15.805 9 HE1 MET 1 HE1 MET 1 10.187 -1.286 15.296 10 HE2 MET 1 HE2 MET 1 9.218 0.037 14.647 11 HE3 MET 1 HE3 MET 1 8.660 -0.851 16.065 12 H ALA 2 HN ALA 2 11.404 4.245 16.866 13 HA ALA 2 HA ALA 2 12.099 6.621 18.157 14 HB1 ALA 2 HB1 ALA 2 12.617 7.324 15.667 15 HB2 ALA 2 HB2 ALA 2 12.320 5.611 15.369 16 HB3 ALA 2 HB3 ALA 2 13.582 6.104 16.498 17 H ASP 3 HN ASP 3 9.342 5.824 16.195 18 HA ASP 3 HA ASP 3 7.453 6.966 15.654 19 HB2 ASP 3 HB2 ASP 3 8.420 8.835 17.827 20 HB3 ASP 3 HB1 ASP 3 6.824 8.899 17.087 21 H GLU 4 HN GLU 4 9.993 7.523 14.286 22 HA GLU 4 HA GLU 4 9.923 10.336 13.626 23 HB2 GLU 4 HB2 GLU 4 11.610 8.000 12.827 24 HB3 GLU 4 HB1 GLU 4 11.606 9.434 11.809 25 HG2 GLU 4 HG2 GLU 4 12.104 10.707 13.995 26 HG3 GLU 4 HG1 GLU 4 12.554 9.124 14.626 27 H GLN 5 HN GLN 5 9.162 7.271 12.020 28 HA GLN 5 HA GLN 5 8.262 8.517 9.609 29 HB2 GLN 5 HB2 GLN 5 8.382 5.759 10.690 30 HB3 GLN 5 HB1 GLN 5 7.161 6.065 9.463 31 HG2 GLN 5 HG2 GLN 5 9.190 5.228 8.454 32 HG3 GLN 5 HG1 GLN 5 8.892 6.890 7.948 33 HE21 GLN 5 HE21 GLN 5 10.981 4.747 9.640 34 HE22 GLN 5 HE22 GLN 5 12.233 5.887 9.983 35 HA PRO 6 HA PRO 6 3.884 7.593 11.333 36 HB2 PRO 6 HB2 PRO 6 3.591 6.701 13.854 37 HB3 PRO 6 HB1 PRO 6 3.933 5.606 12.510 38 HG2 PRO 6 HG2 PRO 6 5.796 6.718 14.568 39 HG3 PRO 6 HG1 PRO 6 5.705 5.074 13.912 40 HD2 PRO 6 HD2 PRO 6 7.523 6.947 13.088 41 HD3 PRO 6 HD1 PRO 6 6.952 5.612 12.068 42 H LYS 7 HN LYS 7 2.375 8.587 13.040 43 HA LYS 7 HA LYS 7 1.679 10.429 14.178 44 HB2 LYS 7 HB2 LYS 7 3.511 9.454 15.751 45 HB3 LYS 7 HB1 LYS 7 4.465 10.831 15.217 46 HG2 LYS 7 HG2 LYS 7 2.621 12.320 15.976 47 HG3 LYS 7 HG1 LYS 7 1.819 10.899 16.648 48 HD2 LYS 7 HD2 LYS 7 4.273 10.618 17.729 49 HD3 LYS 7 HD1 LYS 7 4.187 12.376 17.606 50 HE2 LYS 7 HE2 LYS 7 1.931 12.212 18.739 51 HE3 LYS 7 HE1 LYS 7 2.320 10.525 19.069 52 HZ1 LYS 7 HZ1 LYS 7 2.865 12.006 20.927 53 HZ2 LYS 7 HZ2 LYS 7 3.958 12.842 19.944 54 HZ3 LYS 7 HZ3 LYS 7 4.236 11.218 20.325 55 H LYS 8 HN LYS 8 1.539 11.387 11.998 56 HA LYS 8 HA LYS 8 2.546 14.002 11.955 57 HB2 LYS 8 HB2 LYS 8 4.245 11.980 10.704 58 HB3 LYS 8 HB1 LYS 8 3.803 13.275 9.600 59 HG2 LYS 8 HG2 LYS 8 5.052 14.804 10.678 60 HG3 LYS 8 HG1 LYS 8 4.698 14.130 12.270 61 HD2 LYS 8 HD2 LYS 8 6.898 13.554 12.120 62 HD3 LYS 8 HD1 LYS 8 6.190 12.141 11.334 63 HE2 LYS 8 HE2 LYS 8 6.728 12.927 9.190 64 HE3 LYS 8 HE1 LYS 8 7.014 14.567 9.770 65 HZ1 LYS 8 HZ1 LYS 8 9.017 13.894 10.806 66 HZ2 LYS 8 HZ2 LYS 8 9.053 13.255 9.240 67 HZ3 LYS 8 HZ3 LYS 8 8.694 12.253 10.554 68 HA PRO 9 HA PRO 9 -0.850 14.632 9.232 69 HB2 PRO 9 HB2 PRO 9 0.991 16.318 7.603 70 HB3 PRO 9 HB1 PRO 9 -0.597 16.709 8.272 71 HG2 PRO 9 HG2 PRO 9 1.617 17.670 9.391 72 HG3 PRO 9 HG1 PRO 9 0.253 17.134 10.389 73 HD2 PRO 9 HD2 PRO 9 2.860 15.783 9.856 74 HD3 PRO 9 HD1 PRO 9 1.881 15.807 11.337 75 H VAL 10 HN VAL 10 -1.308 14.738 6.746 76 HA VAL 10 HA VAL 10 0.414 12.831 5.320 77 HB VAL 10 HB VAL 10 -1.409 11.509 4.572 78 HG11 VAL 10 HG11 VAL 10 -0.729 10.766 6.693 79 HG12 VAL 10 HG12 VAL 10 -2.491 10.808 6.764 80 HG13 VAL 10 HG13 VAL 10 -1.547 12.096 7.513 81 HG21 VAL 10 HG21 VAL 10 -3.123 13.691 5.701 82 HG22 VAL 10 HG22 VAL 10 -3.766 12.067 5.457 83 HG23 VAL 10 HG23 VAL 10 -3.140 12.983 4.086 84 HA PRO 11 HA PRO 11 -0.072 15.562 1.891 85 HB2 PRO 11 HB2 PRO 11 0.216 13.893 -0.208 86 HB3 PRO 11 HB1 PRO 11 1.559 14.290 0.871 87 HG2 PRO 11 HG2 PRO 11 -0.187 11.859 0.834 88 HG3 PRO 11 HG1 PRO 11 1.570 11.972 1.048 89 HD2 PRO 11 HD2 PRO 11 -0.176 11.658 3.120 90 HD3 PRO 11 HD1 PRO 11 1.387 12.479 3.281 91 H ALA 12 HN ALA 12 -1.159 15.302 -0.536 92 HA ALA 12 HA ALA 12 -3.957 14.504 -0.065 93 HB1 ALA 12 HB1 ALA 12 -2.995 16.960 -1.527 94 HB2 ALA 12 HB2 ALA 12 -3.778 16.926 0.052 95 HB3 ALA 12 HB3 ALA 12 -4.674 16.441 -1.387 96 H ALA 13 HN ALA 13 -4.592 12.976 -1.423 97 HA ALA 13 HA ALA 13 -4.290 13.114 -4.217 98 HB1 ALA 13 HB1 ALA 13 -1.931 12.425 -3.278 99 HB2 ALA 13 HB2 ALA 13 -2.580 11.683 -4.740 100 HB3 ALA 13 HB3 ALA 13 -2.676 10.828 -3.200 101 H GLU 14 HN GLU 14 -5.595 11.648 -5.259 102 HA GLU 14 HA GLU 14 -6.473 9.196 -4.220 103 HB2 GLU 14 HB2 GLU 14 -7.609 10.604 -2.553 104 HB3 GLU 14 HB1 GLU 14 -8.431 11.470 -3.844 105 HG2 GLU 14 HG2 GLU 14 -10.074 10.015 -3.319 106 HG3 GLU 14 HG1 GLU 14 -9.202 9.010 -4.475 107 H GLU 15 HN GLU 15 -5.884 8.890 -6.470 108 HA GLU 15 HA GLU 15 -8.159 8.785 -8.162 109 HB2 GLU 15 HB2 GLU 15 -6.231 11.019 -8.516 110 HB3 GLU 15 HB1 GLU 15 -6.795 10.209 -9.971 111 HG2 GLU 15 HG2 GLU 15 -9.146 10.587 -8.776 112 HG3 GLU 15 HG1 GLU 15 -8.255 11.934 -8.067 113 H ALA 16 HN ALA 16 -7.649 7.824 -10.286 114 HA ALA 16 HA ALA 16 -5.228 6.159 -10.103 115 HB1 ALA 16 HB1 ALA 16 -8.002 5.604 -10.931 116 HB2 ALA 16 HB2 ALA 16 -6.811 4.552 -10.165 117 HB3 ALA 16 HB3 ALA 16 -6.741 4.846 -11.903 118 HA PRO 17 HA PRO 17 -3.663 7.746 -13.903 119 HB2 PRO 17 HB2 PRO 17 -2.704 5.556 -15.175 120 HB3 PRO 17 HB1 PRO 17 -1.942 6.228 -13.728 121 HG2 PRO 17 HG2 PRO 17 -3.803 3.897 -13.980 122 HG3 PRO 17 HG1 PRO 17 -2.326 4.050 -13.011 123 HD2 PRO 17 HD2 PRO 17 -4.814 4.326 -11.959 124 HD3 PRO 17 HD1 PRO 17 -3.400 5.194 -11.327 125 H ALA 18 HN ALA 18 -4.671 8.474 -15.660 126 HA ALA 18 HA ALA 18 -6.058 8.629 -17.458 127 HB1 ALA 18 HB1 ALA 18 -6.481 6.218 -18.544 128 HB2 ALA 18 HB2 ALA 18 -5.070 5.846 -17.553 129 HB3 ALA 18 HB3 ALA 18 -4.985 7.125 -18.765 130 H ALA 19 HN ALA 19 -8.130 7.347 -18.464 131 HA ALA 19 HA ALA 19 -10.191 7.731 -16.609 132 HB1 ALA 19 HB1 ALA 19 -11.599 6.513 -18.336 133 HB2 ALA 19 HB2 ALA 19 -10.115 6.343 -19.274 134 HB3 ALA 19 HB3 ALA 19 -10.737 7.948 -18.889 135 H GLU 20 HN GLU 20 -9.143 4.642 -18.064 136 HA GLU 20 HA GLU 20 -9.261 3.267 -15.563 137 HB2 GLU 20 HB2 GLU 20 -11.701 3.523 -16.274 138 HB3 GLU 20 HB1 GLU 20 -11.325 2.415 -17.587 139 HG2 GLU 20 HG2 GLU 20 -11.003 0.626 -16.163 140 HG3 GLU 20 HG1 GLU 20 -10.702 1.660 -14.767 141 H ALA 21 HN ALA 21 -8.805 0.925 -15.821 142 HA ALA 21 HA ALA 21 -8.053 -0.204 -18.288 143 HB1 ALA 21 HB1 ALA 21 -5.815 1.019 -16.685 144 HB2 ALA 21 HB2 ALA 21 -6.261 1.367 -18.355 145 HB3 ALA 21 HB3 ALA 21 -5.573 -0.201 -17.935 146 H GLU 22 HN GLU 22 -6.535 -2.168 -17.894 147 HA GLU 22 HA GLU 22 -6.391 -3.269 -15.282 148 HB2 GLU 22 HB2 GLU 22 -8.018 -5.086 -15.549 149 HB3 GLU 22 HB1 GLU 22 -8.803 -3.512 -15.574 150 HG2 GLU 22 HG2 GLU 22 -8.826 -3.635 -18.057 151 HG3 GLU 22 HG1 GLU 22 -8.205 -5.280 -17.932 152 H ALA 23 HN ALA 23 -4.672 -4.547 -15.329 153 HA ALA 23 HA ALA 23 -4.274 -6.631 -17.179 154 HB1 ALA 23 HB1 ALA 23 -2.421 -5.810 -18.478 155 HB2 ALA 23 HB2 ALA 23 -2.468 -4.261 -17.636 156 HB3 ALA 23 HB3 ALA 23 -3.798 -4.729 -18.694 157 H GLU 24 HN GLU 24 -2.839 -8.066 -16.378 158 HA GLU 24 HA GLU 24 -0.539 -7.445 -14.893 159 HB2 GLU 24 HB2 GLU 24 -2.679 -6.953 -13.341 160 HB3 GLU 24 HB1 GLU 24 -2.482 -8.670 -13.016 161 HG2 GLU 24 HG2 GLU 24 0.003 -8.029 -12.602 162 HG3 GLU 24 HG1 GLU 24 -0.647 -6.403 -12.398 163 H GLU 25 HN GLU 25 0.621 -9.311 -14.223 164 HA GLU 25 HA GLU 25 -0.494 -11.933 -14.523 165 HB2 GLU 25 HB2 GLU 25 1.219 -10.758 -16.683 166 HB3 GLU 25 HB1 GLU 25 1.312 -12.479 -16.336 167 HG2 GLU 25 HG2 GLU 25 -0.347 -12.676 -17.805 168 HG3 GLU 25 HG1 GLU 25 -1.380 -12.086 -16.504 169 H GLU 26 HN GLU 26 0.884 -10.475 -12.488 170 HA GLU 26 HA GLU 26 3.608 -11.332 -12.360 171 HB2 GLU 26 HB2 GLU 26 1.873 -10.436 -10.058 172 HB3 GLU 26 HB1 GLU 26 3.628 -10.396 -10.152 173 HG2 GLU 26 HG2 GLU 26 1.992 -8.853 -12.113 174 HG3 GLU 26 HG1 GLU 26 2.266 -8.221 -10.490 175 H GLU 27 HN GLU 27 0.628 -12.355 -10.705 176 HA GLU 27 HA GLU 27 1.797 -15.020 -10.385 177 HB2 GLU 27 HB2 GLU 27 0.561 -13.394 -8.158 178 HB3 GLU 27 HB1 GLU 27 0.887 -15.119 -8.051 179 HG2 GLU 27 HG2 GLU 27 3.134 -13.351 -8.820 180 HG3 GLU 27 HG1 GLU 27 2.574 -13.284 -7.150 181 H GLY 28 HN GLY 28 -0.029 -16.492 -9.340 182 HA2 GLY 28 HA2 GLY 28 -2.263 -16.297 -11.181 183 HA3 GLY 28 HA1 GLY 28 -1.905 -17.644 -10.110 184 H LEU 29 HN LEU 29 -3.116 -14.311 -10.133 185 HA LEU 29 HA LEU 29 -5.228 -15.036 -8.313 186 HB2 LEU 29 HB2 LEU 29 -2.890 -13.406 -7.446 187 HB3 LEU 29 HB1 LEU 29 -4.478 -12.949 -6.861 188 HG LEU 29 HG LEU 29 -3.116 -15.611 -6.448 189 HD11 LEU 29 HD11 LEU 29 -3.248 -14.932 -4.057 190 HD12 LEU 29 HD12 LEU 29 -3.774 -13.335 -4.589 191 HD13 LEU 29 HD13 LEU 29 -2.174 -13.929 -5.032 192 HD21 LEU 29 HD21 LEU 29 -5.211 -15.709 -4.804 193 HD22 LEU 29 HD22 LEU 29 -5.272 -16.320 -6.458 194 HD23 LEU 29 HD23 LEU 29 -5.917 -14.721 -6.084 195 H HIS 30 HN HIS 30 -6.956 -14.102 -9.163 196 HA HIS 30 HA HIS 30 -6.849 -12.025 -11.066 197 HB2 HIS 30 HB2 HIS 30 -8.720 -13.841 -10.413 198 HB3 HIS 30 HB1 HIS 30 -9.379 -12.443 -9.569 199 HD1 HIS 30 HD1 HIS 30 -9.082 -13.962 -12.891 200 HD2 HIS 30 HD2 HIS 30 -9.989 -10.222 -11.324 201 HE1 HIS 30 HE1 HIS 30 -10.156 -12.688 -14.773 202 HE2 HIS 30 HE2 HIS 30 -10.618 -10.399 -13.827 203 H LEU 31 HN LEU 31 -7.957 -9.917 -10.874 204 HA LEU 31 HA LEU 31 -8.522 -8.697 -8.413 205 HB2 LEU 31 HB2 LEU 31 -5.841 -9.067 -8.633 206 HB3 LEU 31 HB1 LEU 31 -6.009 -7.482 -9.363 207 HG LEU 31 HG LEU 31 -7.427 -7.027 -7.156 208 HD11 LEU 31 HD11 LEU 31 -5.826 -8.223 -5.371 209 HD12 LEU 31 HD12 LEU 31 -5.881 -9.479 -6.607 210 HD13 LEU 31 HD13 LEU 31 -7.377 -8.890 -5.882 211 HD21 LEU 31 HD21 LEU 31 -5.740 -5.543 -7.372 212 HD22 LEU 31 HD22 LEU 31 -4.567 -6.777 -7.833 213 HD23 LEU 31 HD23 LEU 31 -4.986 -6.549 -6.135 214 H GLU 32 HN GLU 32 -7.861 -6.079 -8.855 215 HA GLU 32 HA GLU 32 -8.525 -4.218 -9.980 216 HB2 GLU 32 HB2 GLU 32 -8.287 -5.862 -12.500 217 HB3 GLU 32 HB1 GLU 32 -8.154 -4.116 -12.341 218 HG2 GLU 32 HG2 GLU 32 -6.150 -4.716 -10.771 219 HG3 GLU 32 HG1 GLU 32 -6.185 -6.240 -11.657 220 H ASP 33 HN ASP 33 -10.618 -4.218 -9.135 221 HA ASP 33 HA ASP 33 -12.692 -5.086 -11.036 222 HB2 ASP 33 HB2 ASP 33 -12.346 -6.325 -8.675 223 HB3 ASP 33 HB1 ASP 33 -13.391 -5.008 -8.152 224 H ASP 34 HN ASP 34 -12.014 -2.961 -8.263 225 HA ASP 34 HA ASP 34 -13.440 -0.809 -9.627 226 HB2 ASP 34 HB2 ASP 34 -14.858 -2.177 -7.836 227 HB3 ASP 34 HB1 ASP 34 -14.003 -1.120 -6.716 228 H GLN 35 HN GLN 35 -11.156 -0.197 -9.881 229 HA GLN 35 HA GLN 35 -9.363 1.104 -9.369 230 HB2 GLN 35 HB2 GLN 35 -11.532 2.407 -8.362 231 HB3 GLN 35 HB1 GLN 35 -10.541 2.245 -6.918 232 HG2 GLN 35 HG2 GLN 35 -9.555 4.118 -7.593 233 HG3 GLN 35 HG1 GLN 35 -8.728 3.104 -8.774 234 HE21 GLN 35 HE21 GLN 35 -10.486 2.591 -10.660 235 HE22 GLN 35 HE22 GLN 35 -11.095 4.034 -11.390 236 H GLU 36 HN GLU 36 -9.390 -1.527 -8.338 237 HA GLU 36 HA GLU 36 -8.230 -2.875 -6.921 238 HB2 GLU 36 HB2 GLU 36 -6.783 -0.267 -6.599 239 HB3 GLU 36 HB1 GLU 36 -6.342 -1.650 -5.608 240 HG2 GLU 36 HG2 GLU 36 -4.945 -1.401 -7.621 241 HG3 GLU 36 HG1 GLU 36 -5.796 -2.943 -7.551 242 HA PRO 37 HA PRO 37 -11.157 -1.851 -3.496 243 HB2 PRO 37 HB2 PRO 37 -10.720 -4.784 -3.187 244 HB3 PRO 37 HB1 PRO 37 -12.224 -3.857 -3.126 245 HG2 PRO 37 HG2 PRO 37 -11.617 -5.313 -5.269 246 HG3 PRO 37 HG1 PRO 37 -12.390 -3.726 -5.437 247 HD2 PRO 37 HD2 PRO 37 -9.550 -4.512 -5.907 248 HD3 PRO 37 HD1 PRO 37 -10.553 -3.329 -6.771 249 H ARG 38 HN ARG 38 -11.011 -2.875 -1.136 250 HA ARG 38 HA ARG 38 -8.305 -3.388 -0.262 251 HB2 ARG 38 HB2 ARG 38 -8.274 -1.470 1.318 252 HB3 ARG 38 HB1 ARG 38 -8.221 -0.979 -0.369 253 HG2 ARG 38 HG2 ARG 38 -9.767 0.495 0.383 254 HG3 ARG 38 HG1 ARG 38 -10.844 -0.843 -0.026 255 HD2 ARG 38 HD2 ARG 38 -10.173 -1.499 2.509 256 HD3 ARG 38 HD1 ARG 38 -10.097 0.260 2.601 257 HE ARG 38 HE ARG 38 -12.437 -1.317 2.496 258 HH11 ARG 38 HH11 ARG 38 -11.111 1.673 1.279 259 HH12 ARG 38 HH12 ARG 38 -12.656 2.439 1.121 260 HH21 ARG 38 HH21 ARG 38 -14.470 -0.311 2.289 261 HH22 ARG 38 HH22 ARG 38 -14.563 1.313 1.695 262 H GLU 39 HN GLU 39 -8.363 -3.264 2.324 263 HA GLU 39 HA GLU 39 -10.889 -4.463 3.235 264 HB2 GLU 39 HB2 GLU 39 -8.149 -5.611 3.303 265 HB3 GLU 39 HB1 GLU 39 -9.157 -5.868 4.720 266 HG2 GLU 39 HG2 GLU 39 -9.786 -6.665 1.889 267 HG3 GLU 39 HG1 GLU 39 -9.369 -7.735 3.227 268 H HIS 40 HN HIS 40 -10.501 -4.865 5.808 269 HA HIS 40 HA HIS 40 -9.410 -2.367 6.913 270 HB2 HIS 40 HB2 HIS 40 -12.114 -3.595 7.452 271 HB3 HIS 40 HB1 HIS 40 -11.379 -2.408 8.525 272 HD1 HIS 40 HD1 HIS 40 -11.824 -0.025 7.981 273 HD2 HIS 40 HD2 HIS 40 -12.518 -2.524 4.735 274 HE1 HIS 40 HE1 HIS 40 -12.804 1.449 6.195 275 HE2 HIS 40 HE2 HIS 40 -13.135 -0.068 4.211 276 HA PRO 41 HA PRO 41 -7.638 -5.917 9.241 277 HB2 PRO 41 HB2 PRO 41 -5.280 -4.683 9.781 278 HB3 PRO 41 HB1 PRO 41 -5.592 -5.538 8.266 279 HG2 PRO 41 HG2 PRO 41 -5.716 -2.603 8.845 280 HG3 PRO 41 HG1 PRO 41 -5.027 -3.439 7.440 281 HD2 PRO 41 HD2 PRO 41 -7.465 -2.268 7.381 282 HD3 PRO 41 HD1 PRO 41 -7.086 -3.727 6.443 283 H ILE 42 HN ILE 42 -6.598 -5.904 11.471 284 HA ILE 42 HA ILE 42 -8.228 -4.276 13.207 285 HB ILE 42 HB ILE 42 -7.832 -6.650 13.719 286 HG12 ILE 42 HG12 ILE 42 -6.509 -5.031 15.883 287 HG13 ILE 42 HG11 ILE 42 -8.208 -4.797 15.486 288 HG21 ILE 42 HG21 ILE 42 -5.099 -6.177 14.709 289 HG22 ILE 42 HG22 ILE 42 -5.284 -6.243 12.957 290 HG23 ILE 42 HG23 ILE 42 -5.804 -7.604 13.950 291 HD11 ILE 42 HD11 ILE 42 -8.332 -6.304 17.206 292 HD12 ILE 42 HD12 ILE 42 -6.857 -7.141 16.724 293 HD13 ILE 42 HD13 ILE 42 -8.344 -7.377 15.807 294 H MET 43 HN MET 43 -7.345 -3.052 15.011 295 HA MET 43 HA MET 43 -5.479 -1.131 14.225 296 HB2 MET 43 HB2 MET 43 -5.476 -0.451 16.625 297 HB3 MET 43 HB1 MET 43 -7.086 -0.627 15.940 298 HG2 MET 43 HG2 MET 43 -6.706 -3.102 16.945 299 HG3 MET 43 HG1 MET 43 -5.761 -2.139 18.080 300 HE1 MET 43 HE1 MET 43 -9.420 -3.558 18.629 301 HE2 MET 43 HE2 MET 43 -8.678 -3.611 17.030 302 HE3 MET 43 HE3 MET 43 -10.078 -2.578 17.319 303 H GLY 44 HN GLY 44 -3.592 -0.644 15.984 304 HA2 GLY 44 HA2 GLY 44 -2.045 -2.456 17.220 305 HA3 GLY 44 HA1 GLY 44 -1.695 -2.793 15.531 306 H GLY 45 HN GLY 45 0.242 -1.952 17.385 307 HA2 GLY 45 HA2 GLY 45 0.721 0.864 16.700 308 HA3 GLY 45 HA1 GLY 45 1.544 -0.039 17.962 309 H ILE 46 HN ILE 46 3.430 1.016 16.881 310 HA ILE 46 HA ILE 46 4.223 -0.047 14.315 311 HB ILE 46 HB ILE 46 5.934 1.534 16.229 312 HG12 ILE 46 HG12 ILE 46 3.800 2.712 15.778 313 HG13 ILE 46 HG11 ILE 46 5.188 3.550 15.091 314 HG21 ILE 46 HG21 ILE 46 7.410 0.891 14.636 315 HG22 ILE 46 HG22 ILE 46 6.726 2.278 13.789 316 HG23 ILE 46 HG23 ILE 46 6.159 0.650 13.416 317 HD11 ILE 46 HD11 ILE 46 3.602 1.660 13.414 318 HD12 ILE 46 HD12 ILE 46 4.588 3.038 12.926 319 HD13 ILE 46 HD13 ILE 46 3.027 3.303 13.702 320 H TYR 47 HN TYR 47 4.163 -2.313 14.950 321 HA TYR 47 HA TYR 47 6.714 -3.355 15.477 322 HB2 TYR 47 HB2 TYR 47 4.974 -2.946 17.822 323 HB3 TYR 47 HB1 TYR 47 5.671 -4.557 17.689 324 HD1 TYR 47 HD1 TYR 47 8.316 -4.281 16.793 325 HD2 TYR 47 HD2 TYR 47 6.136 -1.618 19.294 326 HE1 TYR 47 HE1 TYR 47 10.428 -3.448 17.736 327 HE2 TYR 47 HE2 TYR 47 8.243 -0.776 20.243 328 HH TYR 47 HH TYR 47 11.160 -2.329 19.910 329 H ASP 48 HN ASP 48 3.264 -4.073 15.970 330 HA ASP 48 HA ASP 48 3.394 -6.817 15.443 331 HB2 ASP 48 HB2 ASP 48 1.244 -4.759 15.436 332 HB3 ASP 48 HB1 ASP 48 0.901 -6.287 14.629 333 H ALA 49 HN ALA 49 2.821 -8.023 13.574 334 HA ALA 49 HA ALA 49 2.475 -6.786 11.027 335 HB1 ALA 49 HB1 ALA 49 4.589 -7.557 10.014 336 HB2 ALA 49 HB2 ALA 49 5.162 -8.022 11.616 337 HB3 ALA 49 HB3 ALA 49 4.838 -6.327 11.253 338 HA PRO 50 HA PRO 50 1.432 -11.361 11.547 339 HB2 PRO 50 HB2 PRO 50 -1.234 -11.194 11.864 340 HB3 PRO 50 HB1 PRO 50 -0.119 -11.057 13.229 341 HG2 PRO 50 HG2 PRO 50 -1.519 -8.896 11.703 342 HG3 PRO 50 HG1 PRO 50 -1.282 -9.056 13.453 343 HD2 PRO 50 HD2 PRO 50 0.257 -7.454 11.864 344 HD3 PRO 50 HD1 PRO 50 0.842 -8.193 13.367 345 H LEU 51 HN LEU 51 -0.285 -8.768 9.885 346 HA LEU 51 HA LEU 51 -1.189 -8.594 7.803 347 HB2 LEU 51 HB2 LEU 51 1.291 -9.337 7.405 348 HB3 LEU 51 HB1 LEU 51 0.557 -10.839 6.877 349 HG LEU 51 HG LEU 51 -0.108 -8.142 5.700 350 HD11 LEU 51 HD11 LEU 51 1.402 -10.099 4.110 351 HD12 LEU 51 HD12 LEU 51 2.295 -9.346 5.430 352 HD13 LEU 51 HD13 LEU 51 1.544 -8.343 4.189 353 HD21 LEU 51 HD21 LEU 51 -0.743 -10.960 4.837 354 HD22 LEU 51 HD22 LEU 51 -1.073 -9.511 3.888 355 HD23 LEU 51 HD23 LEU 51 -1.885 -9.756 5.435 356 H ASN 52 HN ASN 52 -2.999 -9.749 9.129 357 HA ASN 52 HA ASN 52 -3.640 -12.432 8.660 358 HB2 ASN 52 HB2 ASN 52 -4.702 -10.949 10.377 359 HB3 ASN 52 HB1 ASN 52 -5.601 -10.168 9.079 360 HD21 ASN 52 HD21 ASN 52 -7.598 -10.779 9.791 361 HD22 ASN 52 HD22 ASN 52 -8.152 -12.416 9.773 362 H ASN 53 HN ASN 53 -4.182 -9.554 6.741 363 HA ASN 53 HA ASN 53 -5.921 -10.902 4.872 364 HB2 ASN 53 HB2 ASN 53 -4.788 -8.146 5.106 365 HB3 ASN 53 HB1 ASN 53 -5.469 -8.673 3.571 366 HD21 ASN 53 HD21 ASN 53 -7.608 -10.102 4.214 367 HD22 ASN 53 HD22 ASN 53 -8.753 -9.162 5.102 368 H GLU 54 HN GLU 54 -3.912 -12.517 4.823 369 HA GLU 54 HA GLU 54 -2.130 -11.718 2.627 370 HB2 GLU 54 HB2 GLU 54 -1.461 -12.817 5.011 371 HB3 GLU 54 HB1 GLU 54 -1.635 -14.269 4.034 372 HG2 GLU 54 HG2 GLU 54 0.085 -13.657 2.594 373 HG3 GLU 54 HG1 GLU 54 0.019 -11.965 3.084 374 H ASN 55 HN ASN 55 -5.015 -12.823 2.604 375 HA ASN 55 HA ASN 55 -5.027 -15.400 1.532 376 HB2 ASN 55 HB2 ASN 55 -7.201 -14.646 0.440 377 HB3 ASN 55 HB1 ASN 55 -7.110 -14.480 2.190 378 HD21 ASN 55 HD21 ASN 55 -7.058 -12.456 3.105 379 HD22 ASN 55 HD22 ASN 55 -7.389 -11.015 2.211 380 H GLY 56 HN GLY 56 -4.290 -12.315 0.072 381 HA2 GLY 56 HA2 GLY 56 -2.712 -12.577 -1.862 382 HA3 GLY 56 HA1 GLY 56 -3.909 -13.683 -2.520 383 H PHE 57 HN PHE 57 -6.255 -12.459 -2.248 384 HA PHE 57 HA PHE 57 -6.204 -10.482 -4.267 385 HB2 PHE 57 HB2 PHE 57 -8.112 -12.120 -3.479 386 HB3 PHE 57 HB1 PHE 57 -8.552 -10.772 -2.435 387 HD1 PHE 57 HD2 PHE 57 -8.189 -11.874 -5.924 388 HD2 PHE 57 HD1 PHE 57 -9.562 -8.805 -3.315 389 HE1 PHE 57 HE2 PHE 57 -9.400 -10.831 -7.795 390 HE2 PHE 57 HE1 PHE 57 -10.776 -7.757 -5.180 391 HZ PHE 57 HZ PHE 57 -10.696 -8.769 -7.424 392 H ASP 58 HN ASP 58 -6.553 -10.322 -0.756 393 HA ASP 58 HA ASP 58 -7.038 -7.515 -0.669 394 HB2 ASP 58 HB2 ASP 58 -6.219 -9.532 1.418 395 HB3 ASP 58 HB1 ASP 58 -6.424 -7.824 1.792 396 H LYS 59 HN LYS 59 -4.161 -9.511 -0.026 397 HA LYS 59 HA LYS 59 -2.422 -7.408 0.597 398 HB2 LYS 59 HB2 LYS 59 -0.654 -8.966 0.374 399 HB3 LYS 59 HB1 LYS 59 -2.036 -9.893 0.940 400 HG2 LYS 59 HG2 LYS 59 -2.439 -10.704 -1.317 401 HG3 LYS 59 HG1 LYS 59 -1.080 -9.748 -1.911 402 HD2 LYS 59 HD2 LYS 59 -0.530 -11.590 0.340 403 HD3 LYS 59 HD1 LYS 59 -0.862 -12.329 -1.228 404 HE2 LYS 59 HE2 LYS 59 1.001 -11.394 -2.213 405 HE3 LYS 59 HE1 LYS 59 1.075 -10.066 -1.056 406 HZ1 LYS 59 HZ1 LYS 59 1.798 -11.655 0.636 407 HZ2 LYS 59 HZ2 LYS 59 2.865 -11.619 -0.676 408 HZ3 LYS 59 HZ3 LYS 59 1.774 -12.901 -0.510 409 H GLU 60 HN GLU 60 -3.150 -8.960 -2.504 410 HA GLU 60 HA GLU 60 -1.289 -7.449 -4.018 411 HB2 GLU 60 HB2 GLU 60 -3.677 -9.134 -4.700 412 HB3 GLU 60 HB1 GLU 60 -2.886 -8.177 -5.945 413 HG2 GLU 60 HG2 GLU 60 -0.755 -9.412 -4.838 414 HG3 GLU 60 HG1 GLU 60 -2.006 -10.630 -4.596 415 H ASP 61 HN ASP 61 -4.754 -7.077 -3.371 416 HA ASP 61 HA ASP 61 -5.241 -4.895 -5.045 417 HB2 ASP 61 HB2 ASP 61 -6.553 -6.060 -2.647 418 HB3 ASP 61 HB1 ASP 61 -6.995 -4.409 -3.070 419 H LEU 62 HN LEU 62 -4.207 -4.989 -1.652 420 HA LEU 62 HA LEU 62 -4.175 -2.187 -1.275 421 HB2 LEU 62 HB2 LEU 62 -4.242 -3.683 0.614 422 HB3 LEU 62 HB1 LEU 62 -2.714 -4.406 0.151 423 HG LEU 62 HG LEU 62 -1.481 -2.511 0.818 424 HD11 LEU 62 HD11 LEU 62 -4.070 -1.001 1.144 425 HD12 LEU 62 HD12 LEU 62 -2.963 -0.830 -0.219 426 HD13 LEU 62 HD13 LEU 62 -2.441 -0.378 1.404 427 HD21 LEU 62 HD21 LEU 62 -2.394 -3.906 2.656 428 HD22 LEU 62 HD22 LEU 62 -3.716 -2.751 2.823 429 HD23 LEU 62 HD23 LEU 62 -2.056 -2.242 3.132 430 H ALA 63 HN ALA 63 -1.518 -4.489 -1.875 431 HA ALA 63 HA ALA 63 0.565 -2.661 -2.020 432 HB1 ALA 63 HB1 ALA 63 0.729 -5.176 -1.999 433 HB2 ALA 63 HB2 ALA 63 1.833 -4.348 -3.098 434 HB3 ALA 63 HB3 ALA 63 0.383 -5.132 -3.727 435 H ARG 64 HN ARG 64 -1.360 -3.973 -4.721 436 HA ARG 64 HA ARG 64 -0.176 -2.402 -6.726 437 HB2 ARG 64 HB2 ARG 64 -1.896 -4.460 -6.763 438 HB3 ARG 64 HB1 ARG 64 -3.036 -3.146 -7.016 439 HG2 ARG 64 HG2 ARG 64 -0.582 -3.607 -8.696 440 HG3 ARG 64 HG1 ARG 64 -2.200 -4.178 -9.108 441 HD2 ARG 64 HD2 ARG 64 -2.810 -1.638 -8.707 442 HD3 ARG 64 HD1 ARG 64 -1.103 -1.412 -9.085 443 HE ARG 64 HE ARG 64 -3.199 -2.129 -10.907 444 HH11 ARG 64 HH11 ARG 64 0.232 -2.324 -10.300 445 HH12 ARG 64 HH12 ARG 64 0.644 -2.511 -11.971 446 HH21 ARG 64 HH21 ARG 64 -2.659 -2.375 -13.106 447 HH22 ARG 64 HH22 ARG 64 -0.997 -2.539 -13.565 448 H PHE 65 HN PHE 65 -2.935 -1.830 -4.611 449 HA PHE 65 HA PHE 65 -3.940 0.472 -5.850 450 HB2 PHE 65 HB2 PHE 65 -5.209 -0.711 -4.148 451 HB3 PHE 65 HB1 PHE 65 -3.988 -0.340 -2.936 452 HD1 PHE 65 HD2 PHE 65 -6.207 1.427 -5.361 453 HD2 PHE 65 HD1 PHE 65 -4.387 1.412 -1.515 454 HE1 PHE 65 HE2 PHE 65 -7.412 3.493 -4.787 455 HE2 PHE 65 HE1 PHE 65 -5.590 3.478 -0.933 456 HZ PHE 65 HZ PHE 65 -7.104 4.522 -2.571 457 H ALA 66 HN ALA 66 -1.741 0.221 -3.050 458 HA ALA 66 HA ALA 66 -1.232 2.968 -2.811 459 HB1 ALA 66 HB1 ALA 66 0.242 0.517 -1.919 460 HB2 ALA 66 HB2 ALA 66 -0.644 1.699 -0.954 461 HB3 ALA 66 HB3 ALA 66 0.916 2.126 -1.658 462 H VAL 67 HN VAL 67 0.771 0.434 -4.325 463 HA VAL 67 HA VAL 67 2.820 2.005 -5.288 464 HB VAL 67 HB VAL 67 1.606 -0.375 -6.700 465 HG11 VAL 67 HG11 VAL 67 3.087 0.739 -8.190 466 HG12 VAL 67 HG12 VAL 67 3.954 -0.656 -7.547 467 HG13 VAL 67 HG13 VAL 67 4.296 0.959 -6.925 468 HG21 VAL 67 HG21 VAL 67 4.035 -0.740 -5.098 469 HG22 VAL 67 HG22 VAL 67 2.600 -1.756 -5.234 470 HG23 VAL 67 HG23 VAL 67 2.590 -0.356 -4.163 471 H ARG 68 HN ARG 68 -0.193 1.142 -6.977 472 HA ARG 68 HA ARG 68 0.345 2.730 -9.264 473 HB2 ARG 68 HB2 ARG 68 -1.209 0.881 -9.394 474 HB3 ARG 68 HB1 ARG 68 -2.243 1.611 -8.174 475 HG2 ARG 68 HG2 ARG 68 -2.924 3.331 -9.647 476 HG3 ARG 68 HG1 ARG 68 -1.672 2.917 -10.820 477 HD2 ARG 68 HD2 ARG 68 -3.118 1.580 -11.842 478 HD3 ARG 68 HD1 ARG 68 -3.180 0.577 -10.394 479 HE ARG 68 HE ARG 68 -5.156 2.482 -11.284 480 HH11 ARG 68 HH11 ARG 68 -3.924 0.647 -8.581 481 HH12 ARG 68 HH12 ARG 68 -5.410 0.718 -7.696 482 HH21 ARG 68 HH21 ARG 68 -7.110 2.576 -10.119 483 HH22 ARG 68 HH22 ARG 68 -7.218 1.812 -8.568 484 H GLU 69 HN GLU 69 -1.089 3.376 -6.159 485 HA GLU 69 HA GLU 69 -2.453 5.759 -6.802 486 HB2 GLU 69 HB2 GLU 69 -2.849 4.514 -4.722 487 HB3 GLU 69 HB1 GLU 69 -1.226 4.909 -4.172 488 HG2 GLU 69 HG2 GLU 69 -2.970 6.309 -3.147 489 HG3 GLU 69 HG1 GLU 69 -1.773 7.240 -4.047 490 H TYR 70 HN TYR 70 0.857 5.115 -5.749 491 HA TYR 70 HA TYR 70 1.498 7.955 -5.850 492 HB2 TYR 70 HB2 TYR 70 3.345 7.480 -4.583 493 HB3 TYR 70 HB1 TYR 70 2.348 6.101 -4.140 494 HD1 TYR 70 HD2 TYR 70 5.210 7.194 -6.192 495 HD2 TYR 70 HD1 TYR 70 2.981 3.877 -4.737 496 HE1 TYR 70 HE2 TYR 70 6.992 5.676 -6.944 497 HE2 TYR 70 HE1 TYR 70 4.757 2.348 -5.485 498 HH TYR 70 HH TYR 70 7.256 3.311 -7.565 499 H ASN 71 HN ASN 71 1.686 5.175 -7.844 500 HA ASN 71 HA ASN 71 3.840 6.177 -9.492 501 HB2 ASN 71 HB2 ASN 71 2.114 3.731 -9.507 502 HB3 ASN 71 HB1 ASN 71 3.007 4.168 -10.961 503 HD21 ASN 71 HD21 ASN 71 5.371 4.876 -10.343 504 HD22 ASN 71 HD22 ASN 71 6.208 3.737 -9.351 505 H ASN 72 HN ASN 72 0.380 6.357 -9.433 506 HA ASN 72 HA ASN 72 0.153 7.065 -12.224 507 HB2 ASN 72 HB2 ASN 72 -2.155 7.052 -11.921 508 HB3 ASN 72 HB1 ASN 72 -1.611 5.862 -10.746 509 HD21 ASN 72 HD21 ASN 72 -1.719 6.342 -8.557 510 HD22 ASN 72 HD22 ASN 72 -2.655 7.660 -7.948 511 H LYS 73 HN LYS 73 0.210 8.735 -9.127 512 HA LYS 73 HA LYS 73 -0.693 11.232 -9.826 513 HB2 LYS 73 HB2 LYS 73 1.094 12.054 -8.121 514 HB3 LYS 73 HB1 LYS 73 -0.232 11.037 -7.575 515 HG2 LYS 73 HG2 LYS 73 1.136 9.166 -7.362 516 HG3 LYS 73 HG1 LYS 73 2.410 9.867 -8.359 517 HD2 LYS 73 HD2 LYS 73 2.448 11.692 -6.473 518 HD3 LYS 73 HD1 LYS 73 1.713 10.409 -5.509 519 HE2 LYS 73 HE2 LYS 73 3.576 8.971 -5.861 520 HE3 LYS 73 HE1 LYS 73 4.253 10.045 -7.085 521 HZ1 LYS 73 HZ1 LYS 73 5.494 10.697 -5.332 522 HZ2 LYS 73 HZ2 LYS 73 4.338 10.251 -4.180 523 HZ3 LYS 73 HZ3 LYS 73 4.165 11.702 -5.032 524 H ASN 74 HN ASN 74 2.597 9.971 -10.241 525 HA ASN 74 HA ASN 74 3.083 11.444 -12.569 526 HB2 ASN 74 HB2 ASN 74 4.900 12.934 -11.478 527 HB3 ASN 74 HB1 ASN 74 3.215 13.431 -11.384 528 HD21 ASN 74 HD21 ASN 74 5.661 11.616 -9.581 529 HD22 ASN 74 HD22 ASN 74 5.126 12.114 -8.018 530 H ASN 75 HN ASN 75 4.388 9.791 -9.758 531 HA ASN 75 HA ASN 75 6.983 9.305 -10.561 532 HB2 ASN 75 HB2 ASN 75 5.411 8.493 -8.468 533 HB3 ASN 75 HB1 ASN 75 5.677 6.979 -9.327 534 HD21 ASN 75 HD21 ASN 75 7.639 6.024 -9.251 535 HD22 ASN 75 HD22 ASN 75 8.978 6.631 -8.343 536 H ALA 76 HN ALA 76 7.719 6.893 -11.045 537 HA ALA 76 HA ALA 76 7.144 6.398 -13.731 538 HB1 ALA 76 HB1 ALA 76 9.207 5.672 -12.623 539 HB2 ALA 76 HB2 ALA 76 8.413 4.341 -13.465 540 HB3 ALA 76 HB3 ALA 76 8.290 4.474 -11.711 541 H LEU 77 HN LEU 77 6.617 3.867 -14.259 542 HA LEU 77 HA LEU 77 4.002 3.328 -13.011 543 HB2 LEU 77 HB2 LEU 77 4.303 4.172 -15.553 544 HB3 LEU 77 HB1 LEU 77 4.452 2.442 -15.799 545 HG LEU 77 HG LEU 77 2.168 3.045 -16.159 546 HD11 LEU 77 HD11 LEU 77 2.673 1.639 -13.555 547 HD12 LEU 77 HD12 LEU 77 2.304 0.940 -15.132 548 HD13 LEU 77 HD13 LEU 77 1.055 1.805 -14.236 549 HD21 LEU 77 HD21 LEU 77 2.590 4.676 -13.731 550 HD22 LEU 77 HD22 LEU 77 0.998 3.941 -13.923 551 HD23 LEU 77 HD23 LEU 77 1.632 5.011 -15.174 552 H LEU 78 HN LEU 78 6.269 2.181 -11.983 553 HA LEU 78 HA LEU 78 7.032 -0.279 -13.079 554 HB2 LEU 78 HB2 LEU 78 7.746 -0.855 -10.769 555 HB3 LEU 78 HB1 LEU 78 8.337 0.697 -11.330 556 HG LEU 78 HG LEU 78 6.355 1.717 -10.059 557 HD11 LEU 78 HD11 LEU 78 5.929 0.099 -8.005 558 HD12 LEU 78 HD12 LEU 78 6.199 -1.129 -9.242 559 HD13 LEU 78 HD13 LEU 78 4.917 0.065 -9.450 560 HD21 LEU 78 HD21 LEU 78 8.840 0.538 -8.938 561 HD22 LEU 78 HD22 LEU 78 7.659 1.211 -7.814 562 HD23 LEU 78 HD23 LEU 78 8.350 2.226 -9.079 563 H GLU 79 HN GLU 79 6.628 -2.380 -11.643 564 HA GLU 79 HA GLU 79 3.760 -2.615 -11.068 565 HB2 GLU 79 HB2 GLU 79 3.849 -4.880 -12.237 566 HB3 GLU 79 HB1 GLU 79 3.836 -3.456 -13.267 567 HG2 GLU 79 HG2 GLU 79 6.276 -3.637 -13.511 568 HG3 GLU 79 HG1 GLU 79 6.246 -5.102 -12.531 569 H PHE 80 HN PHE 80 3.505 -3.403 -9.094 570 HA PHE 80 HA PHE 80 5.646 -4.561 -7.628 571 HB2 PHE 80 HB2 PHE 80 4.318 -4.286 -5.805 572 HB3 PHE 80 HB1 PHE 80 3.389 -3.273 -6.902 573 HD1 PHE 80 HD1 PHE 80 1.379 -4.266 -8.053 574 HD2 PHE 80 HD2 PHE 80 3.391 -6.204 -4.843 575 HE1 PHE 80 HE1 PHE 80 -0.600 -5.677 -7.670 576 HE2 PHE 80 HE2 PHE 80 1.416 -7.620 -4.453 577 HZ PHE 80 HZ PHE 80 -0.583 -7.357 -5.869 578 H VAL 81 HN VAL 81 5.852 -6.682 -6.819 579 HA VAL 81 HA VAL 81 4.582 -8.698 -8.535 580 HB VAL 81 HB VAL 81 6.417 -10.206 -7.675 581 HG11 VAL 81 HG11 VAL 81 6.522 -9.196 -9.882 582 HG12 VAL 81 HG12 VAL 81 8.128 -9.250 -9.154 583 HG13 VAL 81 HG13 VAL 81 7.230 -7.733 -9.198 584 HG21 VAL 81 HG21 VAL 81 6.886 -8.740 -5.673 585 HG22 VAL 81 HG22 VAL 81 7.720 -7.647 -6.776 586 HG23 VAL 81 HG23 VAL 81 8.301 -9.299 -6.565 587 H ARG 82 HN ARG 82 5.192 -7.824 -5.183 588 HA ARG 82 HA ARG 82 2.887 -8.945 -4.156 589 HB2 ARG 82 HB2 ARG 82 3.803 -10.946 -2.967 590 HB3 ARG 82 HB1 ARG 82 3.670 -11.132 -4.710 591 HG2 ARG 82 HG2 ARG 82 6.138 -10.310 -4.688 592 HG3 ARG 82 HG1 ARG 82 6.092 -10.860 -3.014 593 HD2 ARG 82 HD2 ARG 82 5.659 -13.076 -3.634 594 HD3 ARG 82 HD1 ARG 82 5.159 -12.616 -5.260 595 HE ARG 82 HE ARG 82 7.350 -12.683 -5.913 596 HH11 ARG 82 HH11 ARG 82 7.219 -12.605 -2.427 597 HH12 ARG 82 HH12 ARG 82 8.917 -12.884 -2.232 598 HH21 ARG 82 HH21 ARG 82 9.583 -13.050 -5.659 599 HH22 ARG 82 HH22 ARG 82 10.259 -13.136 -4.067 600 H VAL 83 HN VAL 83 2.931 -9.133 -1.736 601 HA VAL 83 HA VAL 83 4.591 -7.000 -0.684 602 HB VAL 83 HB VAL 83 3.159 -6.941 1.197 603 HG11 VAL 83 HG11 VAL 83 1.557 -5.977 0.008 604 HG12 VAL 83 HG12 VAL 83 0.891 -7.553 -0.420 605 HG13 VAL 83 HG13 VAL 83 2.136 -6.817 -1.430 606 HG21 VAL 83 HG21 VAL 83 2.886 -9.097 1.966 607 HG22 VAL 83 HG22 VAL 83 2.415 -9.716 0.383 608 HG23 VAL 83 HG23 VAL 83 1.281 -8.746 1.323 609 H VAL 84 HN VAL 84 6.109 -7.195 0.904 610 HA VAL 84 HA VAL 84 6.857 -9.943 1.658 611 HB VAL 84 HB VAL 84 8.539 -8.864 0.245 612 HG11 VAL 84 HG11 VAL 84 9.757 -6.962 1.828 613 HG12 VAL 84 HG12 VAL 84 8.038 -6.625 2.028 614 HG13 VAL 84 HG13 VAL 84 8.749 -6.652 0.415 615 HG21 VAL 84 HG21 VAL 84 10.475 -9.233 1.667 616 HG22 VAL 84 HG22 VAL 84 9.243 -10.457 1.979 617 HG23 VAL 84 HG23 VAL 84 9.462 -9.119 3.107 618 H LYS 85 HN LYS 85 5.873 -6.875 2.821 619 HA LYS 85 HA LYS 85 6.127 -7.832 5.563 620 HB2 LYS 85 HB2 LYS 85 6.994 -5.025 4.916 621 HB3 LYS 85 HB1 LYS 85 7.247 -5.934 6.399 622 HG2 LYS 85 HG2 LYS 85 8.642 -7.507 4.840 623 HG3 LYS 85 HG1 LYS 85 8.716 -6.072 3.815 624 HD2 LYS 85 HD2 LYS 85 9.467 -4.833 5.928 625 HD3 LYS 85 HD1 LYS 85 9.742 -6.436 6.614 626 HE2 LYS 85 HE2 LYS 85 11.012 -6.721 4.265 627 HE3 LYS 85 HE1 LYS 85 11.222 -4.987 4.507 628 HZ1 LYS 85 HZ1 LYS 85 12.468 -5.311 6.393 629 HZ2 LYS 85 HZ2 LYS 85 12.952 -6.637 5.461 630 HZ3 LYS 85 HZ3 LYS 85 11.826 -6.846 6.706 631 H ALA 86 HN ALA 86 4.728 -6.772 7.051 632 HA ALA 86 HA ALA 86 2.844 -4.815 6.059 633 HB1 ALA 86 HB1 ALA 86 1.660 -6.627 5.210 634 HB2 ALA 86 HB2 ALA 86 0.906 -6.351 6.781 635 HB3 ALA 86 HB3 ALA 86 2.071 -7.660 6.578 636 H LYS 87 HN LYS 87 2.178 -3.517 7.659 637 HA LYS 87 HA LYS 87 2.227 -4.491 10.420 638 HB2 LYS 87 HB2 LYS 87 3.596 -1.965 9.475 639 HB3 LYS 87 HB1 LYS 87 3.366 -2.415 11.159 640 HG2 LYS 87 HG2 LYS 87 5.438 -3.248 10.944 641 HG3 LYS 87 HG1 LYS 87 4.593 -4.629 10.241 642 HD2 LYS 87 HD2 LYS 87 4.920 -3.663 8.001 643 HD3 LYS 87 HD1 LYS 87 5.806 -2.318 8.724 644 HE2 LYS 87 HE2 LYS 87 6.700 -5.080 9.355 645 HE3 LYS 87 HE1 LYS 87 7.039 -4.451 7.743 646 HZ1 LYS 87 HZ1 LYS 87 8.521 -2.969 8.535 647 HZ2 LYS 87 HZ2 LYS 87 8.646 -4.072 9.811 648 HZ3 LYS 87 HZ3 LYS 87 7.676 -2.697 9.975 649 H GLU 88 HN GLU 88 0.959 -3.218 11.888 650 HA GLU 88 HA GLU 88 -1.102 -1.626 10.512 651 HB2 GLU 88 HB2 GLU 88 -1.446 -3.035 13.154 652 HB3 GLU 88 HB1 GLU 88 -2.697 -2.375 12.110 653 HG2 GLU 88 HG2 GLU 88 -2.287 -4.087 10.464 654 HG3 GLU 88 HG1 GLU 88 -0.932 -4.708 11.405 655 H GLN 89 HN GLN 89 -1.725 0.333 11.344 656 HA GLN 89 HA GLN 89 -0.461 1.274 13.807 657 HB2 GLN 89 HB2 GLN 89 1.024 1.943 11.950 658 HB3 GLN 89 HB1 GLN 89 -0.322 2.781 11.190 659 HG2 GLN 89 HG2 GLN 89 -0.478 4.235 13.191 660 HG3 GLN 89 HG1 GLN 89 0.970 3.451 13.822 661 HE21 GLN 89 HE21 GLN 89 2.508 3.221 11.586 662 HE22 GLN 89 HE22 GLN 89 2.930 4.789 10.996 663 H VAL 90 HN VAL 90 -1.487 3.134 14.735 664 HA VAL 90 HA VAL 90 -4.193 3.639 13.681 665 HB VAL 90 HB VAL 90 -3.471 3.574 16.610 666 HG11 VAL 90 HG11 VAL 90 -5.350 4.932 16.365 667 HG12 VAL 90 HG12 VAL 90 -6.028 3.348 16.739 668 HG13 VAL 90 HG13 VAL 90 -6.022 3.933 15.076 669 HG21 VAL 90 HG21 VAL 90 -3.233 1.337 15.881 670 HG22 VAL 90 HG22 VAL 90 -4.657 1.445 14.846 671 HG23 VAL 90 HG23 VAL 90 -4.840 1.444 16.600 672 H VAL 91 HN VAL 91 -4.437 5.675 13.087 673 HA VAL 91 HA VAL 91 -3.646 7.849 14.794 674 HB VAL 91 HB VAL 91 -2.371 9.005 12.914 675 HG11 VAL 91 HG11 VAL 91 -1.448 7.878 15.045 676 HG12 VAL 91 HG12 VAL 91 -0.326 8.282 13.746 677 HG13 VAL 91 HG13 VAL 91 -0.882 6.621 13.945 678 HG21 VAL 91 HG21 VAL 91 -2.429 6.190 11.876 679 HG22 VAL 91 HG22 VAL 91 -1.125 7.302 11.458 680 HG23 VAL 91 HG23 VAL 91 -2.789 7.693 11.024 681 H SER 92 HN SER 92 -5.692 8.642 14.793 682 HA SER 92 HA SER 92 -7.557 9.727 14.072 683 HB2 SER 92 HB2 SER 92 -5.776 10.339 11.702 684 HB3 SER 92 HB1 SER 92 -7.348 11.087 11.986 685 HG SER 92 HG SER 92 -5.490 12.297 12.765 686 H GLY 93 HN GLY 93 -7.047 6.880 13.371 687 HA2 GLY 93 HA2 GLY 93 -9.298 6.017 12.277 688 HA3 GLY 93 HA1 GLY 93 -8.450 6.558 10.836 689 H MET 94 HN MET 94 -7.251 5.096 9.821 690 HA MET 94 HA MET 94 -5.912 3.003 11.346 691 HB2 MET 94 HB2 MET 94 -7.916 2.468 9.153 692 HB3 MET 94 HB1 MET 94 -6.748 1.275 9.703 693 HG2 MET 94 HG2 MET 94 -8.650 2.602 11.600 694 HG3 MET 94 HG1 MET 94 -9.109 1.180 10.665 695 HE1 MET 94 HE1 MET 94 -6.816 2.216 13.997 696 HE2 MET 94 HE2 MET 94 -7.891 0.983 14.655 697 HE3 MET 94 HE3 MET 94 -8.550 2.301 13.687 698 H MET 95 HN MET 95 -3.865 3.128 10.729 699 HA MET 95 HA MET 95 -3.275 3.729 7.905 700 HB2 MET 95 HB2 MET 95 -2.444 5.128 10.104 701 HB3 MET 95 HB1 MET 95 -1.088 4.039 9.848 702 HG2 MET 95 HG2 MET 95 -0.780 4.846 7.616 703 HG3 MET 95 HG1 MET 95 -2.253 5.809 7.715 704 HE1 MET 95 HE1 MET 95 -2.354 7.818 7.883 705 HE2 MET 95 HE2 MET 95 -0.913 8.819 7.710 706 HE3 MET 95 HE3 MET 95 -1.773 8.770 9.249 707 H HIS 96 HN HIS 96 -2.384 2.152 6.748 708 HA HIS 96 HA HIS 96 -1.207 -0.129 8.183 709 HB2 HIS 96 HB2 HIS 96 -3.250 -0.229 6.455 710 HB3 HIS 96 HB1 HIS 96 -1.921 -0.362 5.308 711 HD1 HIS 96 HD1 HIS 96 -3.104 -2.074 8.493 712 HD2 HIS 96 HD2 HIS 96 -1.012 -2.895 4.998 713 HE1 HIS 96 HE1 HIS 96 -2.652 -4.547 8.545 714 HE2 HIS 96 HE2 HIS 96 -1.311 -5.006 6.463 715 H TYR 97 HN TYR 97 0.889 -0.512 8.008 716 HA TYR 97 HA TYR 97 2.392 0.827 5.855 717 HB2 TYR 97 HB2 TYR 97 3.138 0.147 8.694 718 HB3 TYR 97 HB1 TYR 97 4.366 0.472 7.476 719 HD1 TYR 97 HD2 TYR 97 1.085 2.080 8.287 720 HD2 TYR 97 HD1 TYR 97 5.288 2.554 7.826 721 HE1 TYR 97 HE2 TYR 97 0.854 4.490 8.708 722 HE2 TYR 97 HE1 TYR 97 5.068 4.966 8.248 723 HH TYR 97 HH TYR 97 2.423 6.647 7.975 724 H LEU 98 HN LEU 98 2.427 -0.752 4.298 725 HA LEU 98 HA LEU 98 3.693 -3.297 5.081 726 HB2 LEU 98 HB2 LEU 98 2.301 -4.527 3.686 727 HB3 LEU 98 HB1 LEU 98 1.216 -3.369 4.430 728 HG LEU 98 HG LEU 98 2.382 -3.100 1.657 729 HD11 LEU 98 HD11 LEU 98 0.167 -3.664 0.853 730 HD12 LEU 98 HD12 LEU 98 -0.402 -3.881 2.508 731 HD13 LEU 98 HD13 LEU 98 0.810 -4.975 1.841 732 HD21 LEU 98 HD21 LEU 98 0.259 -1.469 1.698 733 HD22 LEU 98 HD22 LEU 98 1.890 -0.939 2.112 734 HD23 LEU 98 HD23 LEU 98 0.746 -1.352 3.389 735 H THR 99 HN THR 99 5.284 -4.109 3.791 736 HA THR 99 HA THR 99 6.242 -2.318 1.665 737 HB THR 99 HB THR 99 7.944 -4.467 2.863 738 HG1 THR 99 HG1 THR 99 8.250 -3.397 4.671 739 HG21 THR 99 HG21 THR 99 8.496 -2.618 0.989 740 HG22 THR 99 HG22 THR 99 9.696 -3.314 2.077 741 HG23 THR 99 HG23 THR 99 8.972 -1.749 2.447 742 H VAL 100 HN VAL 100 6.631 -3.087 -0.375 743 HA VAL 100 HA VAL 100 6.229 -5.951 -0.847 744 HB VAL 100 HB VAL 100 4.675 -5.652 -2.595 745 HG11 VAL 100 HG11 VAL 100 2.804 -4.936 -1.455 746 HG12 VAL 100 HG12 VAL 100 3.651 -3.590 -0.694 747 HG13 VAL 100 HG13 VAL 100 3.932 -5.238 -0.134 748 HG21 VAL 100 HG21 VAL 100 5.742 -2.936 -2.676 749 HG22 VAL 100 HG22 VAL 100 3.989 -3.009 -2.850 750 HG23 VAL 100 HG23 VAL 100 5.023 -3.913 -3.957 751 H GLU 101 HN GLU 101 6.950 -6.666 -2.982 752 HA GLU 101 HA GLU 101 9.407 -5.298 -3.724 753 HB2 GLU 101 HB2 GLU 101 8.334 -8.031 -3.964 754 HB3 GLU 101 HB1 GLU 101 9.280 -7.493 -5.345 755 HG2 GLU 101 HG2 GLU 101 11.147 -6.963 -3.858 756 HG3 GLU 101 HG1 GLU 101 10.198 -7.518 -2.479 757 H VAL 102 HN VAL 102 9.822 -4.407 -5.703 758 HA VAL 102 HA VAL 102 7.508 -4.153 -7.508 759 HB VAL 102 HB VAL 102 8.616 -2.030 -8.280 760 HG11 VAL 102 HG11 VAL 102 6.732 -2.182 -6.611 761 HG12 VAL 102 HG12 VAL 102 7.705 -0.714 -6.533 762 HG13 VAL 102 HG13 VAL 102 7.947 -1.996 -5.346 763 HG21 VAL 102 HG21 VAL 102 10.114 -1.645 -5.832 764 HG22 VAL 102 HG22 VAL 102 10.603 -1.384 -7.506 765 HG23 VAL 102 HG23 VAL 102 10.752 -2.985 -6.784 766 H ASN 103 HN ASN 103 7.870 -4.133 -9.758 767 HA ASN 103 HA ASN 103 10.495 -5.081 -10.663 768 HB2 ASN 103 HB2 ASN 103 9.021 -7.046 -10.400 769 HB3 ASN 103 HB1 ASN 103 7.850 -6.300 -11.484 770 HD21 ASN 103 HD21 ASN 103 11.305 -7.103 -11.391 771 HD22 ASN 103 HD22 ASN 103 11.389 -7.679 -13.017 772 H ASP 104 HN ASP 104 11.174 -4.215 -12.556 773 HA ASP 104 HA ASP 104 9.230 -2.768 -14.210 774 HB2 ASP 104 HB2 ASP 104 10.684 -1.350 -12.488 775 HB3 ASP 104 HB1 ASP 104 11.884 -1.484 -13.769 776 H ALA 105 HN ALA 105 9.428 -4.463 -15.718 777 HA ALA 105 HA ALA 105 10.302 -5.608 -17.486 778 HB1 ALA 105 HB1 ALA 105 11.614 -2.922 -17.716 779 HB2 ALA 105 HB2 ALA 105 10.279 -3.591 -18.655 780 HB3 ALA 105 HB3 ALA 105 11.918 -4.196 -18.897 781 H GLY 106 HN GLY 106 11.624 -5.965 -14.896 782 HA2 GLY 106 HA2 GLY 106 13.377 -7.780 -14.931 783 HA3 GLY 106 HA1 GLY 106 14.353 -6.620 -15.820 784 H LYS 107 HN LYS 107 13.660 -4.309 -14.325 785 HA LYS 107 HA LYS 107 15.538 -4.492 -12.229 786 HB2 LYS 107 HB2 LYS 107 13.611 -2.422 -13.177 787 HB3 LYS 107 HB1 LYS 107 14.322 -2.224 -11.582 788 HG2 LYS 107 HG2 LYS 107 16.193 -2.843 -13.778 789 HG3 LYS 107 HG1 LYS 107 15.421 -1.256 -13.819 790 HD2 LYS 107 HD2 LYS 107 16.621 -2.229 -11.266 791 HD3 LYS 107 HD1 LYS 107 17.681 -1.612 -12.535 792 HE2 LYS 107 HE2 LYS 107 15.286 -0.050 -11.642 793 HE3 LYS 107 HE1 LYS 107 16.794 0.018 -10.732 794 HZ1 LYS 107 HZ1 LYS 107 16.876 1.791 -12.241 795 HZ2 LYS 107 HZ2 LYS 107 16.314 0.852 -13.530 796 HZ3 LYS 107 HZ3 LYS 107 17.873 0.605 -12.922 797 H LYS 108 HN LYS 108 15.219 -5.665 -10.455 798 HA LYS 108 HA LYS 108 12.547 -5.692 -9.232 799 HB2 LYS 108 HB2 LYS 108 13.463 -7.891 -9.829 800 HB3 LYS 108 HB1 LYS 108 14.877 -7.577 -8.833 801 HG2 LYS 108 HG2 LYS 108 13.694 -8.791 -7.344 802 HG3 LYS 108 HG1 LYS 108 12.992 -7.211 -6.986 803 HD2 LYS 108 HD2 LYS 108 11.261 -7.811 -8.797 804 HD3 LYS 108 HD1 LYS 108 11.841 -9.465 -8.596 805 HE2 LYS 108 HE2 LYS 108 11.296 -8.154 -6.059 806 HE3 LYS 108 HE1 LYS 108 9.877 -8.221 -7.102 807 HZ1 LYS 108 HZ1 LYS 108 10.340 -10.638 -7.367 808 HZ2 LYS 108 HZ2 LYS 108 9.916 -10.184 -5.794 809 HZ3 LYS 108 HZ3 LYS 108 11.533 -10.501 -6.175 810 H LYS 109 HN LYS 109 12.209 -4.864 -7.249 811 HA LYS 109 HA LYS 109 14.414 -4.403 -5.429 812 HB2 LYS 109 HB2 LYS 109 13.139 -2.237 -6.987 813 HB3 LYS 109 HB1 LYS 109 13.347 -1.922 -5.269 814 HG2 LYS 109 HG2 LYS 109 15.591 -1.772 -5.428 815 HG3 LYS 109 HG1 LYS 109 15.696 -3.011 -6.680 816 HD2 LYS 109 HD2 LYS 109 14.620 -1.273 -8.225 817 HD3 LYS 109 HD1 LYS 109 15.026 -0.098 -6.973 818 HE2 LYS 109 HE2 LYS 109 16.984 -1.928 -8.357 819 HE3 LYS 109 HE1 LYS 109 16.740 -0.223 -8.733 820 HZ1 LYS 109 HZ1 LYS 109 18.587 -1.093 -7.041 821 HZ2 LYS 109 HZ2 LYS 109 17.314 -0.849 -5.954 822 HZ3 LYS 109 HZ3 LYS 109 17.864 0.432 -6.911 823 H LEU 110 HN LEU 110 13.423 -2.988 -3.490 824 HA LEU 110 HA LEU 110 10.744 -4.043 -2.888 825 HB2 LEU 110 HB2 LEU 110 12.196 -5.487 -1.702 826 HB3 LEU 110 HB1 LEU 110 13.229 -4.165 -1.197 827 HG LEU 110 HG LEU 110 11.587 -3.387 0.376 828 HD11 LEU 110 HD11 LEU 110 9.484 -4.822 0.673 829 HD12 LEU 110 HD12 LEU 110 9.804 -5.386 -0.967 830 HD13 LEU 110 HD13 LEU 110 9.522 -3.672 -0.664 831 HD21 LEU 110 HD21 LEU 110 13.011 -5.629 0.691 832 HD22 LEU 110 HD22 LEU 110 11.388 -6.289 0.897 833 HD23 LEU 110 HD23 LEU 110 11.947 -4.982 1.940 834 H TYR 111 HN TYR 111 9.430 -2.360 -2.629 835 HA TYR 111 HA TYR 111 10.494 0.044 -1.292 836 HB2 TYR 111 HB2 TYR 111 8.229 -0.056 -3.293 837 HB3 TYR 111 HB1 TYR 111 8.934 1.385 -2.576 838 HD1 TYR 111 HD1 TYR 111 11.855 0.106 -2.885 839 HD2 TYR 111 HD2 TYR 111 8.612 0.868 -5.534 840 HE1 TYR 111 HE1 TYR 111 13.433 0.273 -4.760 841 HE2 TYR 111 HE2 TYR 111 10.184 1.039 -7.415 842 HH TYR 111 HH TYR 111 13.411 1.470 -7.084 843 H GLU 112 HN GLU 112 9.328 0.968 0.344 844 HA GLU 112 HA GLU 112 7.224 -0.689 1.490 845 HB2 GLU 112 HB2 GLU 112 9.335 0.600 2.635 846 HB3 GLU 112 HB1 GLU 112 8.039 1.753 2.922 847 HG2 GLU 112 HG2 GLU 112 6.899 -0.645 3.627 848 HG3 GLU 112 HG1 GLU 112 8.567 -0.818 4.169 849 H ALA 113 HN ALA 113 5.147 -0.006 1.887 850 HA ALA 113 HA ALA 113 4.398 2.657 0.886 851 HB1 ALA 113 HB1 ALA 113 2.850 1.880 -0.568 852 HB2 ALA 113 HB2 ALA 113 2.464 0.474 0.424 853 HB3 ALA 113 HB3 ALA 113 3.911 0.471 -0.584 854 H LYS 114 HN LYS 114 3.028 3.769 2.151 855 HA LYS 114 HA LYS 114 1.678 2.305 4.325 856 HB2 LYS 114 HB2 LYS 114 1.939 4.587 5.570 857 HB3 LYS 114 HB1 LYS 114 3.279 3.450 5.535 858 HG2 LYS 114 HG2 LYS 114 4.066 4.781 3.473 859 HG3 LYS 114 HG1 LYS 114 2.951 6.023 4.046 860 HD2 LYS 114 HD2 LYS 114 5.057 6.561 4.975 861 HD3 LYS 114 HD1 LYS 114 4.120 5.845 6.286 862 HE2 LYS 114 HE2 LYS 114 6.077 4.701 6.549 863 HE3 LYS 114 HE1 LYS 114 5.260 3.627 5.414 864 HZ1 LYS 114 HZ1 LYS 114 6.846 5.761 4.240 865 HZ2 LYS 114 HZ2 LYS 114 6.681 4.146 3.764 866 HZ3 LYS 114 HZ3 LYS 114 7.717 4.550 5.039 867 H VAL 115 HN VAL 115 -0.439 2.374 4.075 868 HA VAL 115 HA VAL 115 -1.643 4.707 2.743 869 HB VAL 115 HB VAL 115 -2.904 1.991 3.118 870 HG11 VAL 115 HG11 VAL 115 -4.452 3.869 2.773 871 HG12 VAL 115 HG12 VAL 115 -4.467 2.739 1.419 872 HG13 VAL 115 HG13 VAL 115 -3.609 4.274 1.277 873 HG21 VAL 115 HG21 VAL 115 -1.228 3.076 0.874 874 HG22 VAL 115 HG22 VAL 115 -2.407 1.789 0.619 875 HG23 VAL 115 HG23 VAL 115 -1.064 1.545 1.735 876 H TRP 116 HN TRP 116 -3.546 5.632 3.581 877 HA TRP 116 HA TRP 116 -4.103 4.971 6.399 878 HB2 TRP 116 HB2 TRP 116 -2.867 7.092 6.197 879 HB3 TRP 116 HB1 TRP 116 -4.117 7.716 5.130 880 HD1 TRP 116 HD1 TRP 116 -4.275 6.061 8.651 881 HE1 TRP 116 HE1 TRP 116 -5.760 7.544 10.142 882 HE3 TRP 116 HE3 TRP 116 -5.383 9.747 5.285 883 HZ2 TRP 116 HZ2 TRP 116 -7.207 9.958 9.920 884 HZ3 TRP 116 HZ3 TRP 116 -6.826 11.606 6.004 885 HH2 TRP 116 HH2 TRP 116 -7.720 11.707 8.274 886 H GLU 117 HN GLU 117 -6.216 4.973 7.067 887 HA GLU 117 HA GLU 117 -8.330 5.848 5.297 888 HB2 GLU 117 HB2 GLU 117 -7.898 3.620 4.419 889 HB3 GLU 117 HB1 GLU 117 -8.004 2.933 6.033 890 HG2 GLU 117 HG2 GLU 117 -10.297 3.155 6.125 891 HG3 GLU 117 HG1 GLU 117 -10.327 4.424 4.901 892 H GLN 118 HN GLN 118 -9.926 6.684 6.485 893 HA GLN 118 HA GLN 118 -9.974 6.093 9.352 894 HB2 GLN 118 HB2 GLN 118 -11.532 8.284 8.013 895 HB3 GLN 118 HB1 GLN 118 -10.984 8.181 9.677 896 HG2 GLN 118 HG2 GLN 118 -9.496 9.696 8.891 897 HG3 GLN 118 HG1 GLN 118 -8.610 8.214 8.535 898 HE21 GLN 118 HE21 GLN 118 -7.880 7.981 6.548 899 HE22 GLN 118 HE22 GLN 118 -8.439 8.833 5.153 900 H VAL 119 HN VAL 119 -12.303 6.388 10.294 901 HA VAL 119 HA VAL 119 -14.113 4.692 8.700 902 HB VAL 119 HB VAL 119 -13.285 3.563 10.717 903 HG11 VAL 119 HG11 VAL 119 -12.906 5.581 12.077 904 HG12 VAL 119 HG12 VAL 119 -13.843 4.357 12.935 905 HG13 VAL 119 HG13 VAL 119 -14.651 5.769 12.253 906 HG21 VAL 119 HG21 VAL 119 -15.472 2.949 11.674 907 HG22 VAL 119 HG22 VAL 119 -15.498 2.996 9.911 908 HG23 VAL 119 HG23 VAL 119 -16.203 4.320 10.839 909 H TRP 120 HN TRP 120 -13.874 7.452 10.873 910 HA TRP 120 HA TRP 120 -16.694 8.060 10.675 911 HB2 TRP 120 HB2 TRP 120 -16.082 10.072 12.015 912 HB3 TRP 120 HB1 TRP 120 -15.586 8.557 12.763 913 HD1 TRP 120 HD1 TRP 120 -14.116 11.617 10.961 914 HE1 TRP 120 HE1 TRP 120 -11.613 11.775 11.539 915 HE3 TRP 120 HE3 TRP 120 -13.595 7.221 13.518 916 HZ2 TRP 120 HZ2 TRP 120 -9.675 10.238 12.898 917 HZ3 TRP 120 HZ3 TRP 120 -11.383 6.638 14.423 918 HH2 TRP 120 HH2 TRP 120 -9.464 8.117 14.117 919 H MET 121 HN MET 121 -13.807 8.840 8.974 920 HA MET 121 HA MET 121 -15.033 11.170 7.699 921 HB2 MET 121 HB2 MET 121 -12.695 11.356 8.484 922 HB3 MET 121 HB1 MET 121 -12.242 10.042 7.407 923 HG2 MET 121 HG2 MET 121 -11.721 11.655 5.966 924 HG3 MET 121 HG1 MET 121 -13.458 11.766 5.688 925 HE1 MET 121 HE1 MET 121 -10.727 14.734 6.230 926 HE2 MET 121 HE2 MET 121 -10.365 13.057 6.638 927 HE3 MET 121 HE3 MET 121 -10.565 14.253 7.919 928 H ASN 122 HN ASN 122 -14.243 7.851 7.141 929 HA ASN 122 HA ASN 122 -14.653 6.434 5.421 930 HB2 ASN 122 HB2 ASN 122 -16.585 8.649 4.915 931 HB3 ASN 122 HB1 ASN 122 -16.337 7.464 3.636 932 HD21 ASN 122 HD21 ASN 122 -16.559 7.313 7.177 933 HD22 ASN 122 HD22 ASN 122 -17.773 6.086 7.217 934 H PHE 123 HN PHE 123 -12.356 8.055 5.277 935 HA PHE 123 HA PHE 123 -12.062 8.310 2.358 936 HB2 PHE 123 HB2 PHE 123 -11.452 10.238 4.486 937 HB3 PHE 123 HB1 PHE 123 -10.127 9.982 3.356 938 HD1 PHE 123 HD2 PHE 123 -11.493 9.571 0.826 939 HD2 PHE 123 HD1 PHE 123 -12.366 12.292 3.979 940 HE1 PHE 123 HE2 PHE 123 -12.576 11.084 -0.785 941 HE2 PHE 123 HE1 PHE 123 -13.451 13.810 2.375 942 HZ PHE 123 HZ PHE 123 -13.556 13.207 -0.010 943 H ARG 124 HN ARG 124 -10.214 7.495 1.450 944 HA ARG 124 HA ARG 124 -8.098 6.468 3.159 945 HB2 ARG 124 HB2 ARG 124 -8.217 4.213 2.338 946 HB3 ARG 124 HB1 ARG 124 -9.791 4.644 2.990 947 HG2 ARG 124 HG2 ARG 124 -10.367 3.576 1.042 948 HG3 ARG 124 HG1 ARG 124 -10.345 5.264 0.526 949 HD2 ARG 124 HD2 ARG 124 -8.834 4.767 -1.020 950 HD3 ARG 124 HD1 ARG 124 -7.718 4.245 0.241 951 HE ARG 124 HE ARG 124 -8.196 2.064 -0.280 952 HH11 ARG 124 HH11 ARG 124 -10.575 4.138 -1.771 953 HH12 ARG 124 HH12 ARG 124 -11.279 2.865 -2.710 954 HH21 ARG 124 HH21 ARG 124 -9.120 0.388 -1.515 955 HH22 ARG 124 HH22 ARG 124 -10.454 0.736 -2.565 956 H GLN 125 HN GLN 125 -6.144 6.627 2.217 957 HA GLN 125 HA GLN 125 -5.785 6.493 -0.623 958 HB2 GLN 125 HB2 GLN 125 -4.987 8.763 -0.969 959 HB3 GLN 125 HB1 GLN 125 -6.651 8.789 -0.402 960 HG2 GLN 125 HG2 GLN 125 -5.234 8.948 1.933 961 HG3 GLN 125 HG1 GLN 125 -4.235 9.875 0.813 962 HE21 GLN 125 HE21 GLN 125 -5.320 11.188 2.871 963 HE22 GLN 125 HE22 GLN 125 -6.614 12.205 2.348 964 H LEU 126 HN LEU 126 -3.451 7.086 -1.204 965 HA LEU 126 HA LEU 126 -1.730 5.670 0.608 966 HB2 LEU 126 HB2 LEU 126 -1.448 5.314 -1.749 967 HB3 LEU 126 HB1 LEU 126 -1.238 7.030 -2.038 968 HG LEU 126 HG LEU 126 0.734 5.968 -0.170 969 HD11 LEU 126 HD11 LEU 126 0.186 4.048 -1.855 970 HD12 LEU 126 HD12 LEU 126 1.860 4.457 -1.480 971 HD13 LEU 126 HD13 LEU 126 1.124 5.037 -2.974 972 HD21 LEU 126 HD21 LEU 126 1.217 7.244 -2.840 973 HD22 LEU 126 HD22 LEU 126 2.202 7.321 -1.380 974 HD23 LEU 126 HD23 LEU 126 0.666 8.184 -1.454 975 H GLN 127 HN GLN 127 -0.288 6.475 2.016 976 HA GLN 127 HA GLN 127 -0.251 9.357 2.411 977 HB2 GLN 127 HB2 GLN 127 0.224 6.988 4.069 978 HB3 GLN 127 HB1 GLN 127 1.368 8.289 4.364 979 HG2 GLN 127 HG2 GLN 127 -0.693 8.261 5.808 980 HG3 GLN 127 HG1 GLN 127 -0.329 9.783 4.998 981 HE21 GLN 127 HE21 GLN 127 -1.762 6.916 3.550 982 HE22 GLN 127 HE22 GLN 127 -3.289 7.636 3.186 983 H GLU 128 HN GLU 128 2.249 6.803 2.395 984 HA GLU 128 HA GLU 128 3.944 8.510 0.754 985 HB2 GLU 128 HB2 GLU 128 5.200 7.326 3.197 986 HB3 GLU 128 HB1 GLU 128 5.730 8.687 2.222 987 HG2 GLU 128 HG2 GLU 128 3.255 8.798 3.914 988 HG3 GLU 128 HG1 GLU 128 4.853 9.194 4.543 989 H PHE 129 HN PHE 129 5.769 7.415 -0.150 990 HA PHE 129 HA PHE 129 5.720 4.489 0.014 991 HB2 PHE 129 HB2 PHE 129 4.419 5.552 -2.012 992 HB3 PHE 129 HB1 PHE 129 6.035 5.790 -2.667 993 HD1 PHE 129 HD2 PHE 129 7.399 3.905 -3.334 994 HD2 PHE 129 HD1 PHE 129 3.491 3.337 -1.750 995 HE1 PHE 129 HE2 PHE 129 7.407 1.589 -4.155 996 HE2 PHE 129 HE1 PHE 129 3.494 1.016 -2.567 997 HZ PHE 129 HZ PHE 129 5.456 0.139 -3.772 998 H THR 130 HN THR 130 7.695 4.036 0.765 999 HA THR 130 HA THR 130 9.975 5.633 -0.144 1000 HB THR 130 HB THR 130 11.149 4.892 1.757 1001 HG1 THR 130 HG1 THR 130 9.283 2.785 1.784 1002 HG21 THR 130 HG21 THR 130 8.553 5.923 2.144 1003 HG22 THR 130 HG22 THR 130 9.957 6.054 3.202 1004 HG23 THR 130 HG23 THR 130 8.835 4.706 3.389 1005 H TYR 131 HN TYR 131 11.887 4.649 -0.929 1006 HA TYR 131 HA TYR 131 11.412 2.008 -2.137 1007 HB2 TYR 131 HB2 TYR 131 13.174 2.734 -3.803 1008 HB3 TYR 131 HB1 TYR 131 11.656 3.625 -3.868 1009 HD1 TYR 131 HD1 TYR 131 11.543 5.944 -3.055 1010 HD2 TYR 131 HD2 TYR 131 15.222 3.809 -3.152 1011 HE1 TYR 131 HE1 TYR 131 12.771 8.060 -2.805 1012 HE2 TYR 131 HE2 TYR 131 16.460 5.919 -2.902 1013 HH TYR 131 HH TYR 131 15.912 8.268 -1.900 1014 H LEU 132 HN LEU 132 12.423 0.449 -1.061 1015 HA LEU 132 HA LEU 132 14.886 1.019 0.379 1016 HB2 LEU 132 HB2 LEU 132 13.647 -1.697 0.250 1017 HB3 LEU 132 HB1 LEU 132 14.540 -0.947 1.559 1018 HG LEU 132 HG LEU 132 11.695 -0.358 0.746 1019 HD11 LEU 132 HD11 LEU 132 11.065 -1.339 2.791 1020 HD12 LEU 132 HD12 LEU 132 12.728 -1.374 3.378 1021 HD13 LEU 132 HD13 LEU 132 12.230 -2.450 2.071 1022 HD21 LEU 132 HD21 LEU 132 11.967 0.979 3.032 1023 HD22 LEU 132 HD22 LEU 132 12.266 1.720 1.460 1024 HD23 LEU 132 HD23 LEU 132 13.618 1.138 2.431 1025 H GLY 133 HN GLY 133 16.244 -1.330 0.299 1026 HA2 GLY 133 HA2 GLY 133 17.582 -1.150 -2.216 1027 HA3 GLY 133 HA1 GLY 133 17.942 -2.289 -0.928 1028 H ASP 134 HN ASP 134 16.282 -4.090 -0.690 1029 HA ASP 134 HA ASP 134 14.614 -4.844 -2.814 1030 HB2 ASP 134 HB2 ASP 134 16.958 -5.005 -3.876 1031 HB3 ASP 134 HB1 ASP 134 17.178 -6.422 -2.854 1032 H ALA 135 HN ALA 135 13.985 -7.197 -2.662 1033 HA ALA 135 HA ALA 135 14.275 -8.135 0.118 1034 HB1 ALA 135 HB1 ALA 135 12.042 -8.660 0.251 1035 HB2 ALA 135 HB2 ALA 135 11.863 -8.818 -1.496 1036 HB3 ALA 135 HB3 ALA 135 11.986 -7.219 -0.764 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 11.158 4.430 18.187 2 H2 MET 1 HT2 MET 1 12.623 3.595 18.507 3 H3 MET 1 HT3 MET 1 11.225 3.273 19.449 4 HA MET 1 HA MET 1 11.429 1.514 17.988 5 HB2 MET 1 HB2 MET 1 9.242 3.174 18.107 6 HB3 MET 1 HB1 MET 1 9.486 3.016 16.373 7 HG2 MET 1 HG2 MET 1 8.015 1.302 16.882 8 HG3 MET 1 HG1 MET 1 9.581 0.496 16.809 9 HE1 MET 1 HE1 MET 1 6.732 -0.480 19.756 10 HE2 MET 1 HE2 MET 1 6.665 -0.055 18.046 11 HE3 MET 1 HE3 MET 1 6.447 1.192 19.274 12 H ALA 2 HN ALA 2 10.682 1.316 15.357 13 HA ALA 2 HA ALA 2 13.102 1.628 13.992 14 HB1 ALA 2 HB1 ALA 2 10.830 0.248 13.519 15 HB2 ALA 2 HB2 ALA 2 12.101 0.495 12.323 16 HB3 ALA 2 HB3 ALA 2 10.678 1.536 12.325 17 H ASP 3 HN ASP 3 10.368 3.768 14.332 18 HA ASP 3 HA ASP 3 10.013 5.924 13.707 19 HB2 ASP 3 HB2 ASP 3 12.551 5.901 14.553 20 HB3 ASP 3 HB1 ASP 3 12.840 6.328 12.870 21 H GLU 4 HN GLU 4 8.818 5.007 11.894 22 HA GLU 4 HA GLU 4 10.169 5.424 9.310 23 HB2 GLU 4 HB2 GLU 4 8.116 3.473 10.225 24 HB3 GLU 4 HB1 GLU 4 8.007 4.048 8.567 25 HG2 GLU 4 HG2 GLU 4 10.227 3.257 8.093 26 HG3 GLU 4 HG1 GLU 4 10.464 2.808 9.781 27 H GLN 5 HN GLN 5 9.490 7.732 10.269 28 HA GLN 5 HA GLN 5 8.292 9.630 9.908 29 HB2 GLN 5 HB2 GLN 5 6.952 8.074 7.691 30 HB3 GLN 5 HB1 GLN 5 7.043 9.823 7.845 31 HG2 GLN 5 HG2 GLN 5 9.522 8.161 7.644 32 HG3 GLN 5 HG1 GLN 5 8.623 8.642 6.206 33 HE21 GLN 5 HE21 GLN 5 10.132 9.948 9.124 34 HE22 GLN 5 HE22 GLN 5 10.617 11.447 8.416 35 HA PRO 6 HA PRO 6 4.541 7.583 11.922 36 HB2 PRO 6 HB2 PRO 6 5.134 8.022 14.513 37 HB3 PRO 6 HB1 PRO 6 5.716 6.596 13.646 38 HG2 PRO 6 HG2 PRO 6 7.154 9.144 14.280 39 HG3 PRO 6 HG1 PRO 6 7.738 7.474 14.390 40 HD2 PRO 6 HD2 PRO 6 8.316 9.128 12.300 41 HD3 PRO 6 HD1 PRO 6 8.217 7.363 12.147 42 H LYS 7 HN LYS 7 2.832 8.892 11.908 43 HA LYS 7 HA LYS 7 1.491 10.712 12.150 44 HB2 LYS 7 HB2 LYS 7 2.661 10.418 14.554 45 HB3 LYS 7 HB1 LYS 7 3.266 12.016 14.137 46 HG2 LYS 7 HG2 LYS 7 1.141 12.951 14.102 47 HG3 LYS 7 HG1 LYS 7 0.350 11.383 13.926 48 HD2 LYS 7 HD2 LYS 7 1.297 10.853 16.244 49 HD3 LYS 7 HD1 LYS 7 1.614 12.584 16.373 50 HE2 LYS 7 HE2 LYS 7 -0.682 13.115 16.208 51 HE3 LYS 7 HE1 LYS 7 -1.096 11.487 15.671 52 HZ1 LYS 7 HZ1 LYS 7 -0.079 12.198 18.370 53 HZ2 LYS 7 HZ2 LYS 7 -0.515 10.648 17.852 54 HZ3 LYS 7 HZ3 LYS 7 -1.691 11.855 17.989 55 H LYS 8 HN LYS 8 1.391 12.162 10.580 56 HA LYS 8 HA LYS 8 2.977 14.470 10.461 57 HB2 LYS 8 HB2 LYS 8 4.041 12.137 9.059 58 HB3 LYS 8 HB1 LYS 8 3.826 13.526 8.003 59 HG2 LYS 8 HG2 LYS 8 5.485 14.694 8.974 60 HG3 LYS 8 HG1 LYS 8 5.118 14.082 10.588 61 HD2 LYS 8 HD2 LYS 8 6.291 12.068 10.198 62 HD3 LYS 8 HD1 LYS 8 6.379 12.370 8.461 63 HE2 LYS 8 HE2 LYS 8 8.532 12.806 9.436 64 HE3 LYS 8 HE1 LYS 8 7.817 14.334 8.925 65 HZ1 LYS 8 HZ1 LYS 8 6.973 14.292 11.410 66 HZ2 LYS 8 HZ2 LYS 8 8.493 14.910 10.996 67 HZ3 LYS 8 HZ3 LYS 8 8.358 13.343 11.618 68 HA PRO 9 HA PRO 9 -0.235 15.803 7.763 69 HB2 PRO 9 HB2 PRO 9 1.033 17.336 5.902 70 HB3 PRO 9 HB1 PRO 9 0.770 17.857 7.570 71 HG2 PRO 9 HG2 PRO 9 3.224 16.690 6.314 72 HG3 PRO 9 HG1 PRO 9 3.084 18.047 7.448 73 HD2 PRO 9 HD2 PRO 9 3.828 15.577 8.244 74 HD3 PRO 9 HD1 PRO 9 2.876 16.659 9.281 75 H VAL 10 HN VAL 10 -1.345 14.651 6.326 76 HA VAL 10 HA VAL 10 0.088 13.068 4.337 77 HB VAL 10 HB VAL 10 -1.885 11.784 4.064 78 HG11 VAL 10 HG11 VAL 10 -0.607 11.504 6.203 79 HG12 VAL 10 HG12 VAL 10 -2.277 10.940 6.250 80 HG13 VAL 10 HG13 VAL 10 -1.845 12.482 6.991 81 HG21 VAL 10 HG21 VAL 10 -3.265 14.105 5.355 82 HG22 VAL 10 HG22 VAL 10 -3.990 12.498 5.391 83 HG23 VAL 10 HG23 VAL 10 -3.646 13.277 3.846 84 HA PRO 11 HA PRO 11 -1.024 15.642 0.930 85 HB2 PRO 11 HB2 PRO 11 -1.185 13.862 -1.086 86 HB3 PRO 11 HB1 PRO 11 0.352 14.266 -0.312 87 HG2 PRO 11 HG2 PRO 11 -1.424 11.896 0.124 88 HG3 PRO 11 HG1 PRO 11 0.343 11.960 -0.015 89 HD2 PRO 11 HD2 PRO 11 -0.973 11.810 2.372 90 HD3 PRO 11 HD1 PRO 11 0.615 12.577 2.180 91 H ALA 12 HN ALA 12 -2.576 15.283 -1.216 92 HA ALA 12 HA ALA 12 -5.221 14.466 -0.226 93 HB1 ALA 12 HB1 ALA 12 -6.223 16.466 -1.231 94 HB2 ALA 12 HB2 ALA 12 -4.615 17.053 -1.653 95 HB3 ALA 12 HB3 ALA 12 -5.073 16.878 0.041 96 H ALA 13 HN ALA 13 -6.079 13.017 -1.549 97 HA ALA 13 HA ALA 13 -6.331 13.366 -4.330 98 HB1 ALA 13 HB1 ALA 13 -3.839 12.748 -4.013 99 HB2 ALA 13 HB2 ALA 13 -4.769 11.933 -5.270 100 HB3 ALA 13 HB3 ALA 13 -4.448 11.116 -3.741 101 H GLU 14 HN GLU 14 -7.393 11.537 -5.382 102 HA GLU 14 HA GLU 14 -8.158 9.195 -4.047 103 HB2 GLU 14 HB2 GLU 14 -9.392 10.728 -2.578 104 HB3 GLU 14 HB1 GLU 14 -10.231 11.395 -3.972 105 HG2 GLU 14 HG2 GLU 14 -10.419 8.474 -3.589 106 HG3 GLU 14 HG1 GLU 14 -11.256 9.487 -2.413 107 H GLU 15 HN GLU 15 -7.671 8.421 -6.128 108 HA GLU 15 HA GLU 15 -9.869 8.070 -7.837 109 HB2 GLU 15 HB2 GLU 15 -8.902 10.537 -8.260 110 HB3 GLU 15 HB1 GLU 15 -7.835 9.636 -9.329 111 HG2 GLU 15 HG2 GLU 15 -9.497 9.108 -10.777 112 HG3 GLU 15 HG1 GLU 15 -10.733 9.070 -9.520 113 H ALA 16 HN ALA 16 -9.032 7.188 -10.084 114 HA ALA 16 HA ALA 16 -6.564 5.649 -9.653 115 HB1 ALA 16 HB1 ALA 16 -9.004 4.507 -9.354 116 HB2 ALA 16 HB2 ALA 16 -7.552 3.640 -9.854 117 HB3 ALA 16 HB3 ALA 16 -8.700 4.211 -11.066 118 HA PRO 17 HA PRO 17 -5.553 6.617 -13.831 119 HB2 PRO 17 HB2 PRO 17 -4.386 4.353 -14.747 120 HB3 PRO 17 HB1 PRO 17 -3.620 5.401 -13.547 121 HG2 PRO 17 HG2 PRO 17 -5.135 2.850 -13.143 122 HG3 PRO 17 HG1 PRO 17 -3.623 3.386 -12.386 123 HD2 PRO 17 HD2 PRO 17 -6.032 3.557 -11.145 124 HD3 PRO 17 HD1 PRO 17 -4.715 4.710 -10.852 125 H ALA 18 HN ALA 18 -5.983 6.169 -16.087 126 HA ALA 18 HA ALA 18 -8.560 4.850 -16.444 127 HB1 ALA 18 HB1 ALA 18 -8.224 7.153 -17.281 128 HB2 ALA 18 HB2 ALA 18 -8.686 6.019 -18.550 129 HB3 ALA 18 HB3 ALA 18 -7.008 6.539 -18.401 130 H ALA 19 HN ALA 19 -5.255 4.723 -17.695 131 HA ALA 19 HA ALA 19 -5.859 2.526 -19.471 132 HB1 ALA 19 HB1 ALA 19 -4.217 3.910 -20.349 133 HB2 ALA 19 HB2 ALA 19 -3.283 2.559 -19.706 134 HB3 ALA 19 HB3 ALA 19 -3.383 4.070 -18.803 135 H GLU 20 HN GLU 20 -4.338 0.572 -19.376 136 HA GLU 20 HA GLU 20 -3.563 -0.239 -16.704 137 HB2 GLU 20 HB2 GLU 20 -5.633 -1.828 -18.230 138 HB3 GLU 20 HB1 GLU 20 -4.951 -2.233 -16.661 139 HG2 GLU 20 HG2 GLU 20 -5.918 -0.018 -15.857 140 HG3 GLU 20 HG1 GLU 20 -6.841 -0.014 -17.360 141 H ALA 21 HN ALA 21 -2.289 -2.173 -16.673 142 HA ALA 21 HA ALA 21 -1.549 -3.383 -19.200 143 HB1 ALA 21 HB1 ALA 21 -0.168 -1.237 -18.845 144 HB2 ALA 21 HB2 ALA 21 0.680 -2.721 -19.279 145 HB3 ALA 21 HB3 ALA 21 0.676 -2.165 -17.606 146 H GLU 22 HN GLU 22 -2.440 -5.217 -18.103 147 HA GLU 22 HA GLU 22 -1.314 -6.182 -15.663 148 HB2 GLU 22 HB2 GLU 22 -3.189 -7.300 -17.718 149 HB3 GLU 22 HB1 GLU 22 -2.513 -8.356 -16.485 150 HG2 GLU 22 HG2 GLU 22 -3.808 -7.512 -14.869 151 HG3 GLU 22 HG1 GLU 22 -3.642 -5.858 -15.457 152 H ALA 23 HN ALA 23 -0.213 -8.281 -15.460 153 HA ALA 23 HA ALA 23 1.413 -9.009 -17.790 154 HB1 ALA 23 HB1 ALA 23 3.285 -9.256 -15.890 155 HB2 ALA 23 HB2 ALA 23 2.379 -7.894 -15.230 156 HB3 ALA 23 HB3 ALA 23 3.071 -7.791 -16.849 157 H GLU 24 HN GLU 24 2.947 -10.955 -16.889 158 HA GLU 24 HA GLU 24 1.210 -12.809 -15.408 159 HB2 GLU 24 HB2 GLU 24 1.337 -13.039 -18.036 160 HB3 GLU 24 HB1 GLU 24 2.862 -13.837 -17.676 161 HG2 GLU 24 HG2 GLU 24 1.859 -15.637 -16.719 162 HG3 GLU 24 HG1 GLU 24 0.466 -14.709 -16.168 163 H GLU 25 HN GLU 25 2.486 -14.848 -14.798 164 HA GLU 25 HA GLU 25 4.162 -15.782 -13.577 165 HB2 GLU 25 HB2 GLU 25 5.663 -14.109 -15.552 166 HB3 GLU 25 HB1 GLU 25 6.543 -14.888 -14.243 167 HG2 GLU 25 HG2 GLU 25 4.699 -16.656 -15.665 168 HG3 GLU 25 HG1 GLU 25 6.000 -16.007 -16.661 169 H GLU 26 HN GLU 26 2.813 -13.405 -12.591 170 HA GLU 26 HA GLU 26 4.607 -12.802 -10.423 171 HB2 GLU 26 HB2 GLU 26 3.940 -10.771 -12.513 172 HB3 GLU 26 HB1 GLU 26 4.101 -10.251 -10.841 173 HG2 GLU 26 HG2 GLU 26 6.363 -11.347 -10.833 174 HG3 GLU 26 HG1 GLU 26 6.182 -11.548 -12.575 175 H GLU 27 HN GLU 27 1.848 -11.019 -11.786 176 HA GLU 27 HA GLU 27 0.513 -10.999 -9.248 177 HB2 GLU 27 HB2 GLU 27 -0.126 -9.954 -11.985 178 HB3 GLU 27 HB1 GLU 27 -1.374 -9.997 -10.747 179 HG2 GLU 27 HG2 GLU 27 -0.344 -8.403 -9.457 180 HG3 GLU 27 HG1 GLU 27 1.254 -8.745 -10.119 181 H GLY 28 HN GLY 28 -1.457 -11.981 -8.710 182 HA2 GLY 28 HA2 GLY 28 -2.690 -13.855 -10.534 183 HA3 GLY 28 HA1 GLY 28 -1.830 -14.611 -9.202 184 H LEU 29 HN LEU 29 -3.726 -11.617 -9.213 185 HA LEU 29 HA LEU 29 -5.686 -12.919 -7.452 186 HB2 LEU 29 HB2 LEU 29 -3.860 -11.368 -6.360 187 HB3 LEU 29 HB1 LEU 29 -4.894 -10.084 -6.955 188 HG LEU 29 HG LEU 29 -5.356 -10.639 -4.606 189 HD11 LEU 29 HD11 LEU 29 -7.769 -11.595 -6.046 190 HD12 LEU 29 HD12 LEU 29 -7.134 -10.001 -6.456 191 HD13 LEU 29 HD13 LEU 29 -7.608 -10.362 -4.796 192 HD21 LEU 29 HD21 LEU 29 -6.658 -13.192 -5.303 193 HD22 LEU 29 HD22 LEU 29 -5.802 -12.714 -3.837 194 HD23 LEU 29 HD23 LEU 29 -4.894 -13.205 -5.267 195 H HIS 30 HN HIS 30 -7.725 -12.604 -8.062 196 HA HIS 30 HA HIS 30 -8.269 -10.482 -10.027 197 HB2 HIS 30 HB2 HIS 30 -8.702 -13.121 -10.351 198 HB3 HIS 30 HB1 HIS 30 -10.240 -12.661 -9.628 199 HD1 HIS 30 HD1 HIS 30 -8.194 -10.702 -12.157 200 HD2 HIS 30 HD2 HIS 30 -11.875 -12.598 -11.801 201 HE1 HIS 30 HE1 HIS 30 -9.439 -10.157 -14.273 202 HE2 HIS 30 HE2 HIS 30 -11.695 -11.244 -13.997 203 H LEU 31 HN LEU 31 -10.899 -10.166 -9.947 204 HA LEU 31 HA LEU 31 -12.131 -10.087 -7.426 205 HB2 LEU 31 HB2 LEU 31 -10.363 -8.435 -6.951 206 HB3 LEU 31 HB1 LEU 31 -10.919 -7.464 -8.301 207 HG LEU 31 HG LEU 31 -13.198 -7.475 -7.006 208 HD11 LEU 31 HD11 LEU 31 -11.910 -9.083 -5.301 209 HD12 LEU 31 HD12 LEU 31 -13.206 -7.994 -4.806 210 HD13 LEU 31 HD13 LEU 31 -11.522 -7.524 -4.574 211 HD21 LEU 31 HD21 LEU 31 -12.023 -5.453 -7.448 212 HD22 LEU 31 HD22 LEU 31 -10.774 -5.848 -6.267 213 HD23 LEU 31 HD23 LEU 31 -12.409 -5.467 -5.727 214 H GLU 32 HN GLU 32 -11.901 -7.670 -10.039 215 HA GLU 32 HA GLU 32 -13.442 -6.860 -11.502 216 HB2 GLU 32 HB2 GLU 32 -13.549 -9.531 -11.800 217 HB3 GLU 32 HB1 GLU 32 -15.201 -9.238 -11.273 218 HG2 GLU 32 HG2 GLU 32 -15.785 -8.280 -13.208 219 HG3 GLU 32 HG1 GLU 32 -14.253 -7.420 -13.364 220 H ASP 33 HN ASP 33 -13.761 -6.251 -8.743 221 HA ASP 33 HA ASP 33 -16.680 -5.871 -8.640 222 HB2 ASP 33 HB2 ASP 33 -14.795 -6.449 -6.348 223 HB3 ASP 33 HB1 ASP 33 -16.459 -5.912 -6.138 224 H ASP 34 HN ASP 34 -13.965 -4.660 -6.690 225 HA ASP 34 HA ASP 34 -14.748 -1.925 -7.463 226 HB2 ASP 34 HB2 ASP 34 -15.076 -2.908 -4.978 227 HB3 ASP 34 HB1 ASP 34 -13.415 -2.337 -4.845 228 H GLN 35 HN GLN 35 -12.993 -0.315 -7.242 229 HA GLN 35 HA GLN 35 -10.658 -1.199 -8.587 230 HB2 GLN 35 HB2 GLN 35 -11.806 1.121 -8.637 231 HB3 GLN 35 HB1 GLN 35 -10.876 1.448 -7.181 232 HG2 GLN 35 HG2 GLN 35 -9.604 0.523 -9.738 233 HG3 GLN 35 HG1 GLN 35 -9.883 2.224 -9.370 234 HE21 GLN 35 HE21 GLN 35 -7.933 -0.528 -8.806 235 HE22 GLN 35 HE22 GLN 35 -6.796 0.214 -7.736 236 H GLU 36 HN GLU 36 -10.129 -2.872 -6.920 237 HA GLU 36 HA GLU 36 -8.766 -3.675 -5.286 238 HB2 GLU 36 HB2 GLU 36 -7.466 -0.977 -5.683 239 HB3 GLU 36 HB1 GLU 36 -6.783 -2.255 -4.688 240 HG2 GLU 36 HG2 GLU 36 -7.267 -2.320 -7.655 241 HG3 GLU 36 HG1 GLU 36 -5.713 -2.283 -6.822 242 HA PRO 37 HA PRO 37 -11.389 -1.605 -2.063 243 HB2 PRO 37 HB2 PRO 37 -11.222 -4.388 -1.036 244 HB3 PRO 37 HB1 PRO 37 -12.628 -3.331 -1.201 245 HG2 PRO 37 HG2 PRO 37 -12.247 -5.367 -2.878 246 HG3 PRO 37 HG1 PRO 37 -12.896 -3.818 -3.452 247 HD2 PRO 37 HD2 PRO 37 -10.138 -4.941 -3.729 248 HD3 PRO 37 HD1 PRO 37 -11.095 -3.998 -4.891 249 H ARG 38 HN ARG 38 -11.114 -2.559 0.503 250 HA ARG 38 HA ARG 38 -8.376 -2.925 1.233 251 HB2 ARG 38 HB2 ARG 38 -7.911 -0.830 2.249 252 HB3 ARG 38 HB1 ARG 38 -8.490 -0.474 0.628 253 HG2 ARG 38 HG2 ARG 38 -10.155 -0.320 3.134 254 HG3 ARG 38 HG1 ARG 38 -9.398 1.053 2.324 255 HD2 ARG 38 HD2 ARG 38 -11.535 -0.762 1.217 256 HD3 ARG 38 HD1 ARG 38 -11.713 0.931 1.676 257 HE ARG 38 HE ARG 38 -9.718 0.817 -0.249 258 HH11 ARG 38 HH11 ARG 38 -13.130 0.123 -0.019 259 HH12 ARG 38 HH12 ARG 38 -13.442 0.480 -1.685 260 HH21 ARG 38 HH21 ARG 38 -10.126 1.287 -2.439 261 HH22 ARG 38 HH22 ARG 38 -11.736 1.141 -3.059 262 H GLU 39 HN GLU 39 -8.410 -1.982 3.821 263 HA GLU 39 HA GLU 39 -10.835 -2.800 5.144 264 HB2 GLU 39 HB2 GLU 39 -8.465 -4.591 4.961 265 HB3 GLU 39 HB1 GLU 39 -9.296 -4.501 6.508 266 HG2 GLU 39 HG2 GLU 39 -11.379 -4.823 4.792 267 HG3 GLU 39 HG1 GLU 39 -10.113 -5.758 3.998 268 H HIS 40 HN HIS 40 -10.147 -3.107 7.661 269 HA HIS 40 HA HIS 40 -8.297 -0.925 8.338 270 HB2 HIS 40 HB2 HIS 40 -9.917 -0.249 10.144 271 HB3 HIS 40 HB1 HIS 40 -10.465 0.075 8.502 272 HD1 HIS 40 HD1 HIS 40 -12.410 -1.413 7.590 273 HD2 HIS 40 HD2 HIS 40 -11.454 -2.059 11.582 274 HE1 HIS 40 HE1 HIS 40 -14.328 -2.736 8.535 275 HE2 HIS 40 HE2 HIS 40 -13.768 -3.040 10.973 276 HA PRO 41 HA PRO 41 -7.148 -4.621 10.803 277 HB2 PRO 41 HB2 PRO 41 -4.528 -3.932 11.034 278 HB3 PRO 41 HB1 PRO 41 -5.181 -4.784 9.630 279 HG2 PRO 41 HG2 PRO 41 -4.584 -1.870 9.969 280 HG3 PRO 41 HG1 PRO 41 -4.253 -2.926 8.584 281 HD2 PRO 41 HD2 PRO 41 -6.357 -1.231 8.640 282 HD3 PRO 41 HD1 PRO 41 -6.421 -2.796 7.805 283 H ILE 42 HN ILE 42 -6.041 -4.771 12.944 284 HA ILE 42 HA ILE 42 -7.117 -2.879 14.746 285 HB ILE 42 HB ILE 42 -6.740 -5.230 15.358 286 HG12 ILE 42 HG12 ILE 42 -5.111 -3.390 17.120 287 HG13 ILE 42 HG11 ILE 42 -6.871 -3.399 17.078 288 HG21 ILE 42 HG21 ILE 42 -4.739 -6.269 15.348 289 HG22 ILE 42 HG22 ILE 42 -3.868 -4.831 15.880 290 HG23 ILE 42 HG23 ILE 42 -4.330 -5.005 14.187 291 HD11 ILE 42 HD11 ILE 42 -5.143 -5.004 18.620 292 HD12 ILE 42 HD12 ILE 42 -5.965 -6.063 17.473 293 HD13 ILE 42 HD13 ILE 42 -6.905 -5.037 18.556 294 H MET 43 HN MET 43 -5.920 -1.592 16.314 295 HA MET 43 HA MET 43 -4.128 0.188 15.128 296 HB2 MET 43 HB2 MET 43 -3.711 0.984 17.469 297 HB3 MET 43 HB1 MET 43 -5.409 0.894 17.021 298 HG2 MET 43 HG2 MET 43 -5.042 -1.556 18.105 299 HG3 MET 43 HG1 MET 43 -3.905 -0.596 19.051 300 HE1 MET 43 HE1 MET 43 -6.714 -2.224 19.068 301 HE2 MET 43 HE2 MET 43 -8.117 -1.170 18.883 302 HE3 MET 43 HE3 MET 43 -7.530 -1.582 20.494 303 H GLY 44 HN GLY 44 -1.924 0.710 16.220 304 HA2 GLY 44 HA2 GLY 44 -0.316 -1.235 17.377 305 HA3 GLY 44 HA1 GLY 44 -0.179 -1.452 15.639 306 H GLY 45 HN GLY 45 2.131 -0.948 16.431 307 HA2 GLY 45 HA2 GLY 45 2.536 1.962 16.129 308 HA3 GLY 45 HA1 GLY 45 3.465 1.024 17.289 309 H ILE 46 HN ILE 46 5.298 1.958 16.088 310 HA ILE 46 HA ILE 46 5.771 0.980 13.410 311 HB ILE 46 HB ILE 46 7.761 2.360 15.205 312 HG12 ILE 46 HG12 ILE 46 5.672 3.685 15.042 313 HG13 ILE 46 HG11 ILE 46 7.030 4.475 14.248 314 HG21 ILE 46 HG21 ILE 46 8.294 3.182 12.696 315 HG22 ILE 46 HG22 ILE 46 7.660 1.568 12.371 316 HG23 ILE 46 HG23 ILE 46 9.042 1.773 13.447 317 HD11 ILE 46 HD11 ILE 46 4.543 3.379 13.115 318 HD12 ILE 46 HD12 ILE 46 6.008 3.154 12.160 319 HD13 ILE 46 HD13 ILE 46 5.500 4.777 12.627 320 H TYR 47 HN TYR 47 5.446 -1.290 14.433 321 HA TYR 47 HA TYR 47 7.894 -2.651 14.307 322 HB2 TYR 47 HB2 TYR 47 7.769 -1.510 16.722 323 HB3 TYR 47 HB1 TYR 47 6.842 -2.965 17.073 324 HD1 TYR 47 HD1 TYR 47 10.130 -1.705 15.958 325 HD2 TYR 47 HD2 TYR 47 7.911 -5.082 17.289 326 HE1 TYR 47 HE1 TYR 47 12.225 -2.958 16.251 327 HE2 TYR 47 HE2 TYR 47 10.000 -6.345 17.587 328 HH TYR 47 HH TYR 47 12.797 -5.215 17.953 329 H ASP 48 HN ASP 48 4.608 -2.681 15.598 330 HA ASP 48 HA ASP 48 4.237 -5.475 15.547 331 HB2 ASP 48 HB2 ASP 48 2.472 -3.090 15.731 332 HB3 ASP 48 HB1 ASP 48 1.719 -4.605 15.241 333 H ALA 49 HN ALA 49 3.704 -6.859 13.962 334 HA ALA 49 HA ALA 49 2.842 -5.795 11.370 335 HB1 ALA 49 HB1 ALA 49 5.274 -6.101 11.253 336 HB2 ALA 49 HB2 ALA 49 4.421 -7.206 10.175 337 HB3 ALA 49 HB3 ALA 49 5.077 -7.795 11.702 338 HA PRO 50 HA PRO 50 0.448 -9.552 12.907 339 HB2 PRO 50 HB2 PRO 50 -1.869 -7.847 12.292 340 HB3 PRO 50 HB1 PRO 50 -1.510 -8.765 13.756 341 HG2 PRO 50 HG2 PRO 50 -1.371 -6.084 13.702 342 HG3 PRO 50 HG1 PRO 50 -0.260 -7.061 14.681 343 HD2 PRO 50 HD2 PRO 50 0.206 -5.740 12.033 344 HD3 PRO 50 HD1 PRO 50 1.283 -5.855 13.440 345 H LEU 51 HN LEU 51 -1.098 -7.407 10.546 346 HA LEU 51 HA LEU 51 -1.886 -7.762 8.441 347 HB2 LEU 51 HB2 LEU 51 0.749 -8.354 8.388 348 HB3 LEU 51 HB1 LEU 51 0.084 -9.885 7.852 349 HG LEU 51 HG LEU 51 -0.325 -7.196 6.544 350 HD11 LEU 51 HD11 LEU 51 1.827 -8.815 6.338 351 HD12 LEU 51 HD12 LEU 51 1.249 -7.766 5.044 352 HD13 LEU 51 HD13 LEU 51 0.801 -9.472 5.063 353 HD21 LEU 51 HD21 LEU 51 -1.410 -8.692 4.760 354 HD22 LEU 51 HD22 LEU 51 -2.353 -8.288 6.193 355 HD23 LEU 51 HD23 LEU 51 -1.588 -9.871 6.060 356 H ASN 52 HN ASN 52 -3.444 -9.012 10.139 357 HA ASN 52 HA ASN 52 -3.679 -11.790 10.000 358 HB2 ASN 52 HB2 ASN 52 -5.847 -9.710 10.355 359 HB3 ASN 52 HB1 ASN 52 -6.042 -11.432 10.670 360 HD21 ASN 52 HD21 ASN 52 -4.939 -12.365 12.419 361 HD22 ASN 52 HD22 ASN 52 -4.352 -11.404 13.729 362 H ASN 53 HN ASN 53 -4.674 -9.298 7.767 363 HA ASN 53 HA ASN 53 -6.284 -11.100 6.180 364 HB2 ASN 53 HB2 ASN 53 -6.213 -8.351 6.505 365 HB3 ASN 53 HB1 ASN 53 -5.525 -8.582 4.902 366 HD21 ASN 53 HD21 ASN 53 -8.250 -7.799 6.291 367 HD22 ASN 53 HD22 ASN 53 -9.404 -8.550 5.248 368 H GLU 54 HN GLU 54 -4.076 -12.422 6.243 369 HA GLU 54 HA GLU 54 -2.349 -11.660 4.016 370 HB2 GLU 54 HB2 GLU 54 -0.915 -13.506 4.756 371 HB3 GLU 54 HB1 GLU 54 -1.266 -12.397 6.075 372 HG2 GLU 54 HG2 GLU 54 -2.615 -13.909 7.169 373 HG3 GLU 54 HG1 GLU 54 -2.951 -14.829 5.703 374 H ASN 55 HN ASN 55 -5.212 -12.814 3.889 375 HA ASN 55 HA ASN 55 -5.144 -15.390 2.819 376 HB2 ASN 55 HB2 ASN 55 -7.042 -13.165 2.049 377 HB3 ASN 55 HB1 ASN 55 -7.325 -14.894 1.872 378 HD21 ASN 55 HD21 ASN 55 -7.697 -12.210 3.847 379 HD22 ASN 55 HD22 ASN 55 -8.208 -13.018 5.285 380 H GLY 56 HN GLY 56 -4.797 -12.240 1.232 381 HA2 GLY 56 HA2 GLY 56 -3.021 -12.453 -0.606 382 HA3 GLY 56 HA1 GLY 56 -4.130 -13.641 -1.273 383 H PHE 57 HN PHE 57 -6.564 -12.455 -0.922 384 HA PHE 57 HA PHE 57 -6.636 -10.619 -3.069 385 HB2 PHE 57 HB2 PHE 57 -8.750 -11.306 -1.018 386 HB3 PHE 57 HB1 PHE 57 -9.040 -10.374 -2.483 387 HD1 PHE 57 HD1 PHE 57 -8.112 -13.694 -1.181 388 HD2 PHE 57 HD2 PHE 57 -9.306 -11.433 -4.582 389 HE1 PHE 57 HE1 PHE 57 -8.515 -15.780 -2.421 390 HE2 PHE 57 HE2 PHE 57 -9.713 -13.515 -5.828 391 HZ PHE 57 HZ PHE 57 -9.317 -15.692 -4.748 392 H ASP 58 HN ASP 58 -6.780 -10.225 0.433 393 HA ASP 58 HA ASP 58 -7.360 -7.438 0.374 394 HB2 ASP 58 HB2 ASP 58 -7.841 -8.867 2.331 395 HB3 ASP 58 HB1 ASP 58 -6.112 -9.085 2.585 396 H LYS 59 HN LYS 59 -4.363 -9.273 0.950 397 HA LYS 59 HA LYS 59 -2.671 -7.069 1.276 398 HB2 LYS 59 HB2 LYS 59 -0.854 -8.582 0.992 399 HB3 LYS 59 HB1 LYS 59 -2.135 -9.476 1.797 400 HG2 LYS 59 HG2 LYS 59 -2.743 -10.544 -0.288 401 HG3 LYS 59 HG1 LYS 59 -1.527 -9.599 -1.149 402 HD2 LYS 59 HD2 LYS 59 -0.526 -11.103 1.171 403 HD3 LYS 59 HD1 LYS 59 -1.118 -12.094 -0.163 404 HE2 LYS 59 HE2 LYS 59 0.438 -11.212 -1.665 405 HE3 LYS 59 HE1 LYS 59 0.768 -9.814 -0.642 406 HZ1 LYS 59 HZ1 LYS 59 1.759 -12.568 -0.398 407 HZ2 LYS 59 HZ2 LYS 59 1.605 -11.627 0.999 408 HZ3 LYS 59 HZ3 LYS 59 2.602 -11.107 -0.264 409 H GLU 60 HN GLU 60 -3.629 -8.838 -1.631 410 HA GLU 60 HA GLU 60 -1.913 -7.432 -3.401 411 HB2 GLU 60 HB2 GLU 60 -4.450 -8.989 -3.917 412 HB3 GLU 60 HB1 GLU 60 -3.397 -8.369 -5.181 413 HG2 GLU 60 HG2 GLU 60 -2.032 -9.978 -3.155 414 HG3 GLU 60 HG1 GLU 60 -3.243 -10.851 -4.092 415 H ASP 61 HN ASP 61 -5.333 -7.055 -2.536 416 HA ASP 61 HA ASP 61 -5.958 -4.981 -4.299 417 HB2 ASP 61 HB2 ASP 61 -7.068 -5.755 -1.606 418 HB3 ASP 61 HB1 ASP 61 -7.716 -4.396 -2.521 419 H LEU 62 HN LEU 62 -4.788 -4.834 -0.946 420 HA LEU 62 HA LEU 62 -4.744 -2.023 -0.760 421 HB2 LEU 62 HB2 LEU 62 -4.694 -3.367 1.227 422 HB3 LEU 62 HB1 LEU 62 -3.211 -4.151 0.723 423 HG LEU 62 HG LEU 62 -1.904 -2.252 1.196 424 HD11 LEU 62 HD11 LEU 62 -4.419 -0.639 1.588 425 HD12 LEU 62 HD12 LEU 62 -3.435 -0.614 0.125 426 HD13 LEU 62 HD13 LEU 62 -2.755 -0.057 1.653 427 HD21 LEU 62 HD21 LEU 62 -4.024 -2.777 3.237 428 HD22 LEU 62 HD22 LEU 62 -2.775 -1.569 3.535 429 HD23 LEU 62 HD23 LEU 62 -2.324 -3.249 3.242 430 H ALA 63 HN ALA 63 -2.100 -4.337 -1.377 431 HA ALA 63 HA ALA 63 -0.036 -2.528 -1.733 432 HB1 ALA 63 HB1 ALA 63 0.126 -5.041 -1.638 433 HB2 ALA 63 HB2 ALA 63 1.155 -4.256 -2.837 434 HB3 ALA 63 HB3 ALA 63 -0.335 -5.055 -3.340 435 H ARG 64 HN ARG 64 -2.113 -3.933 -4.271 436 HA ARG 64 HA ARG 64 -1.064 -2.409 -6.387 437 HB2 ARG 64 HB2 ARG 64 -2.667 -4.501 -6.351 438 HB3 ARG 64 HB1 ARG 64 -3.926 -3.274 -6.395 439 HG2 ARG 64 HG2 ARG 64 -1.711 -3.604 -8.409 440 HG3 ARG 64 HG1 ARG 64 -3.397 -4.080 -8.626 441 HD2 ARG 64 HD2 ARG 64 -3.750 -1.514 -7.947 442 HD3 ARG 64 HD1 ARG 64 -2.152 -1.396 -8.681 443 HE ARG 64 HE ARG 64 -4.613 -1.727 -10.039 444 HH11 ARG 64 HH11 ARG 64 -1.269 -2.717 -10.145 445 HH12 ARG 64 HH12 ARG 64 -1.268 -2.969 -11.858 446 HH21 ARG 64 HH21 ARG 64 -4.615 -2.059 -12.292 447 HH22 ARG 64 HH22 ARG 64 -3.167 -2.595 -13.077 448 H PHE 65 HN PHE 65 -3.646 -1.790 -4.088 449 HA PHE 65 HA PHE 65 -4.816 0.433 -5.317 450 HB2 PHE 65 HB2 PHE 65 -5.844 -0.713 -3.416 451 HB3 PHE 65 HB1 PHE 65 -4.533 -0.185 -2.368 452 HD1 PHE 65 HD2 PHE 65 -6.965 1.351 -4.752 453 HD2 PHE 65 HD1 PHE 65 -4.998 1.573 -0.985 454 HE1 PHE 65 HE2 PHE 65 -8.223 3.398 -4.221 455 HE2 PHE 65 HE1 PHE 65 -6.253 3.620 -0.446 456 HZ PHE 65 HZ PHE 65 -7.867 4.535 -2.065 457 H ALA 66 HN ALA 66 -2.425 0.420 -2.664 458 HA ALA 66 HA ALA 66 -1.924 3.169 -2.677 459 HB1 ALA 66 HB1 ALA 66 -0.623 0.780 -1.560 460 HB2 ALA 66 HB2 ALA 66 -1.007 2.325 -0.802 461 HB3 ALA 66 HB3 ALA 66 0.437 2.169 -1.802 462 H VAL 67 HN VAL 67 -0.028 0.552 -4.189 463 HA VAL 67 HA VAL 67 1.926 2.067 -5.407 464 HB VAL 67 HB VAL 67 0.611 -0.392 -6.575 465 HG11 VAL 67 HG11 VAL 67 2.818 -0.727 -7.657 466 HG12 VAL 67 HG12 VAL 67 3.305 0.866 -7.078 467 HG13 VAL 67 HG13 VAL 67 1.972 0.713 -8.222 468 HG21 VAL 67 HG21 VAL 67 1.795 -0.238 -4.137 469 HG22 VAL 67 HG22 VAL 67 3.172 -0.645 -5.160 470 HG23 VAL 67 HG23 VAL 67 1.752 -1.690 -5.137 471 H ARG 68 HN ARG 68 -1.189 1.071 -6.821 472 HA ARG 68 HA ARG 68 -0.865 2.523 -9.223 473 HB2 ARG 68 HB2 ARG 68 -2.434 0.682 -9.083 474 HB3 ARG 68 HB1 ARG 68 -3.359 1.516 -7.841 475 HG2 ARG 68 HG2 ARG 68 -4.332 2.952 -9.334 476 HG3 ARG 68 HG1 ARG 68 -2.994 2.842 -10.480 477 HD2 ARG 68 HD2 ARG 68 -4.436 0.326 -10.011 478 HD3 ARG 68 HD1 ARG 68 -5.391 1.597 -10.774 479 HE ARG 68 HE ARG 68 -2.813 1.199 -11.983 480 HH11 ARG 68 HH11 ARG 68 -6.145 0.162 -11.938 481 HH12 ARG 68 HH12 ARG 68 -6.107 -0.449 -13.558 482 HH21 ARG 68 HH21 ARG 68 -2.761 0.397 -14.113 483 HH22 ARG 68 HH22 ARG 68 -4.186 -0.316 -14.793 484 H GLU 69 HN GLU 69 -2.083 3.372 -6.062 485 HA GLU 69 HA GLU 69 -3.463 5.726 -6.741 486 HB2 GLU 69 HB2 GLU 69 -3.540 4.509 -4.529 487 HB3 GLU 69 HB1 GLU 69 -1.979 5.229 -4.160 488 HG2 GLU 69 HG2 GLU 69 -4.391 6.870 -4.864 489 HG3 GLU 69 HG1 GLU 69 -4.019 6.377 -3.213 490 H TYR 70 HN TYR 70 -0.080 5.134 -5.902 491 HA TYR 70 HA TYR 70 0.555 7.955 -6.287 492 HB2 TYR 70 HB2 TYR 70 2.465 7.577 -5.091 493 HB3 TYR 70 HB1 TYR 70 1.512 6.225 -4.493 494 HD1 TYR 70 HD2 TYR 70 4.245 7.191 -6.771 495 HD2 TYR 70 HD1 TYR 70 2.123 3.967 -4.983 496 HE1 TYR 70 HE2 TYR 70 5.993 5.633 -7.521 497 HE2 TYR 70 HE1 TYR 70 3.865 2.399 -5.728 498 HH TYR 70 HH TYR 70 6.261 3.254 -7.992 499 H ASN 71 HN ASN 71 0.538 5.052 -8.077 500 HA ASN 71 HA ASN 71 2.603 5.901 -9.931 501 HB2 ASN 71 HB2 ASN 71 0.921 3.446 -9.615 502 HB3 ASN 71 HB1 ASN 71 1.692 3.767 -11.166 503 HD21 ASN 71 HD21 ASN 71 4.061 4.320 -11.001 504 HD22 ASN 71 HD22 ASN 71 5.002 3.373 -9.906 505 H ASN 72 HN ASN 72 -0.814 6.172 -9.611 506 HA ASN 72 HA ASN 72 -1.266 6.593 -12.439 507 HB2 ASN 72 HB2 ASN 72 -3.544 6.641 -11.953 508 HB3 ASN 72 HB1 ASN 72 -2.913 5.551 -10.726 509 HD21 ASN 72 HD21 ASN 72 -2.917 6.170 -8.593 510 HD22 ASN 72 HD22 ASN 72 -3.759 7.566 -8.023 511 H LYS 73 HN LYS 73 -0.913 8.524 -9.528 512 HA LYS 73 HA LYS 73 -1.878 10.958 -10.281 513 HB2 LYS 73 HB2 LYS 73 0.233 11.867 -8.980 514 HB3 LYS 73 HB1 LYS 73 -1.079 11.045 -8.148 515 HG2 LYS 73 HG2 LYS 73 0.162 9.217 -7.693 516 HG3 LYS 73 HG1 LYS 73 1.161 9.383 -9.135 517 HD2 LYS 73 HD2 LYS 73 1.683 11.658 -7.575 518 HD3 LYS 73 HD1 LYS 73 1.666 10.298 -6.450 519 HE2 LYS 73 HE2 LYS 73 3.465 9.277 -7.451 520 HE3 LYS 73 HE1 LYS 73 3.154 10.026 -9.016 521 HZ1 LYS 73 HZ1 LYS 73 3.726 12.175 -7.598 522 HZ2 LYS 73 HZ2 LYS 73 4.916 11.265 -8.384 523 HZ3 LYS 73 HZ3 LYS 73 4.641 11.048 -6.729 524 H ASN 74 HN ASN 74 1.645 10.705 -10.371 525 HA ASN 74 HA ASN 74 1.695 11.478 -13.176 526 HB2 ASN 74 HB2 ASN 74 3.241 13.394 -12.631 527 HB3 ASN 74 HB1 ASN 74 1.566 13.629 -12.136 528 HD21 ASN 74 HD21 ASN 74 4.631 12.358 -10.876 529 HD22 ASN 74 HD22 ASN 74 4.432 12.979 -9.282 530 H ASN 75 HN ASN 75 2.714 9.352 -11.087 531 HA ASN 75 HA ASN 75 5.570 9.492 -11.506 532 HB2 ASN 75 HB2 ASN 75 3.931 8.326 -9.576 533 HB3 ASN 75 HB1 ASN 75 4.594 6.957 -10.463 534 HD21 ASN 75 HD21 ASN 75 6.545 6.276 -9.930 535 HD22 ASN 75 HD22 ASN 75 7.689 7.142 -8.968 536 H ALA 76 HN ALA 76 6.224 6.814 -11.827 537 HA ALA 76 HA ALA 76 5.876 6.513 -14.657 538 HB1 ALA 76 HB1 ALA 76 7.660 5.143 -14.558 539 HB2 ALA 76 HB2 ALA 76 7.041 4.265 -13.159 540 HB3 ALA 76 HB3 ALA 76 7.849 5.817 -12.940 541 H LEU 77 HN LEU 77 5.770 3.746 -14.969 542 HA LEU 77 HA LEU 77 3.143 3.018 -13.867 543 HB2 LEU 77 HB2 LEU 77 3.615 3.744 -16.514 544 HB3 LEU 77 HB1 LEU 77 3.564 1.992 -16.551 545 HG LEU 77 HG LEU 77 1.366 2.809 -17.014 546 HD11 LEU 77 HD11 LEU 77 0.123 1.957 -14.947 547 HD12 LEU 77 HD12 LEU 77 1.723 1.645 -14.273 548 HD13 LEU 77 HD13 LEU 77 1.221 0.844 -15.762 549 HD21 LEU 77 HD21 LEU 77 0.302 4.089 -14.919 550 HD22 LEU 77 HD22 LEU 77 1.064 4.926 -16.271 551 HD23 LEU 77 HD23 LEU 77 1.968 4.651 -14.782 552 H LEU 78 HN LEU 78 4.153 1.626 -12.393 553 HA LEU 78 HA LEU 78 5.512 -0.702 -13.578 554 HB2 LEU 78 HB2 LEU 78 6.201 -1.039 -11.089 555 HB3 LEU 78 HB1 LEU 78 7.051 0.127 -12.084 556 HG LEU 78 HG LEU 78 5.643 1.928 -11.101 557 HD11 LEU 78 HD11 LEU 78 4.440 -0.412 -9.740 558 HD12 LEU 78 HD12 LEU 78 3.696 1.088 -10.292 559 HD13 LEU 78 HD13 LEU 78 4.635 1.067 -8.799 560 HD21 LEU 78 HD21 LEU 78 7.882 0.754 -10.096 561 HD22 LEU 78 HD22 LEU 78 6.796 0.686 -8.709 562 HD23 LEU 78 HD23 LEU 78 7.155 2.234 -9.471 563 H GLU 79 HN GLU 79 5.264 -2.629 -11.809 564 HA GLU 79 HA GLU 79 2.456 -2.823 -11.005 565 HB2 GLU 79 HB2 GLU 79 3.841 -4.923 -12.681 566 HB3 GLU 79 HB1 GLU 79 2.200 -5.009 -12.055 567 HG2 GLU 79 HG2 GLU 79 1.558 -3.112 -13.434 568 HG3 GLU 79 HG1 GLU 79 3.208 -2.985 -14.042 569 H PHE 80 HN PHE 80 2.246 -3.682 -9.045 570 HA PHE 80 HA PHE 80 4.548 -4.615 -7.623 571 HB2 PHE 80 HB2 PHE 80 3.317 -4.269 -5.748 572 HB3 PHE 80 HB1 PHE 80 2.272 -3.377 -6.846 573 HD1 PHE 80 HD1 PHE 80 0.247 -4.533 -7.793 574 HD2 PHE 80 HD2 PHE 80 2.557 -6.170 -4.617 575 HE1 PHE 80 HE1 PHE 80 -1.628 -6.010 -7.197 576 HE2 PHE 80 HE2 PHE 80 0.687 -7.651 -4.014 577 HZ PHE 80 HZ PHE 80 -1.409 -7.572 -5.306 578 H VAL 81 HN VAL 81 4.884 -6.681 -6.717 579 HA VAL 81 HA VAL 81 3.587 -8.835 -8.235 580 HB VAL 81 HB VAL 81 5.537 -10.223 -7.417 581 HG11 VAL 81 HG11 VAL 81 7.033 -9.418 -9.119 582 HG12 VAL 81 HG12 VAL 81 6.269 -7.829 -9.097 583 HG13 VAL 81 HG13 VAL 81 5.374 -9.231 -9.685 584 HG21 VAL 81 HG21 VAL 81 6.745 -7.546 -6.743 585 HG22 VAL 81 HG22 VAL 81 7.478 -9.138 -6.546 586 HG23 VAL 81 HG23 VAL 81 6.108 -8.667 -5.540 587 H ARG 82 HN ARG 82 4.416 -7.773 -4.982 588 HA ARG 82 HA ARG 82 2.228 -8.887 -3.725 589 HB2 ARG 82 HB2 ARG 82 3.285 -10.810 -2.520 590 HB3 ARG 82 HB1 ARG 82 3.010 -11.083 -4.235 591 HG2 ARG 82 HG2 ARG 82 5.453 -10.215 -4.461 592 HG3 ARG 82 HG1 ARG 82 5.559 -10.687 -2.765 593 HD2 ARG 82 HD2 ARG 82 5.336 -12.914 -3.226 594 HD3 ARG 82 HD1 ARG 82 4.367 -12.627 -4.671 595 HE ARG 82 HE ARG 82 6.827 -11.683 -5.338 596 HH11 ARG 82 HH11 ARG 82 5.652 -14.729 -4.104 597 HH12 ARG 82 HH12 ARG 82 6.890 -15.662 -4.875 598 HH21 ARG 82 HH21 ARG 82 8.456 -12.909 -6.354 599 HH22 ARG 82 HH22 ARG 82 8.483 -14.629 -6.152 600 H VAL 83 HN VAL 83 2.475 -8.964 -1.305 601 HA VAL 83 HA VAL 83 4.169 -6.752 -0.494 602 HB VAL 83 HB VAL 83 2.896 -6.645 1.508 603 HG11 VAL 83 HG11 VAL 83 1.221 -5.703 0.405 604 HG12 VAL 83 HG12 VAL 83 0.513 -7.286 0.088 605 HG13 VAL 83 HG13 VAL 83 1.679 -6.599 -1.043 606 HG21 VAL 83 HG21 VAL 83 2.691 -8.790 2.340 607 HG22 VAL 83 HG22 VAL 83 2.082 -9.436 0.815 608 HG23 VAL 83 HG23 VAL 83 1.039 -8.439 1.830 609 H VAL 84 HN VAL 84 5.789 -6.845 1.014 610 HA VAL 84 HA VAL 84 6.634 -9.544 1.840 611 HB VAL 84 HB VAL 84 8.177 -8.561 0.216 612 HG11 VAL 84 HG11 VAL 84 9.301 -6.515 1.934 613 HG12 VAL 84 HG12 VAL 84 7.627 -6.169 1.499 614 HG13 VAL 84 HG13 VAL 84 8.829 -6.434 0.237 615 HG21 VAL 84 HG21 VAL 84 9.376 -8.614 2.984 616 HG22 VAL 84 HG22 VAL 84 10.229 -8.867 1.461 617 HG23 VAL 84 HG23 VAL 84 9.026 -10.037 2.003 618 H LYS 85 HN LYS 85 5.673 -6.453 2.920 619 HA LYS 85 HA LYS 85 6.230 -7.233 5.669 620 HB2 LYS 85 HB2 LYS 85 6.963 -4.446 4.824 621 HB3 LYS 85 HB1 LYS 85 7.423 -5.312 6.283 622 HG2 LYS 85 HG2 LYS 85 8.711 -6.877 4.712 623 HG3 LYS 85 HG1 LYS 85 8.503 -5.604 3.508 624 HD2 LYS 85 HD2 LYS 85 9.486 -4.021 5.243 625 HD3 LYS 85 HD1 LYS 85 9.956 -5.468 6.138 626 HE2 LYS 85 HE2 LYS 85 10.699 -5.629 3.338 627 HE3 LYS 85 HE1 LYS 85 11.400 -4.216 4.126 628 HZ1 LYS 85 HZ1 LYS 85 12.927 -5.950 4.433 629 HZ2 LYS 85 HZ2 LYS 85 11.728 -7.064 4.863 630 HZ3 LYS 85 HZ3 LYS 85 12.134 -5.808 5.921 631 H ALA 86 HN ALA 86 5.005 -6.033 7.236 632 HA ALA 86 HA ALA 86 2.978 -4.192 6.312 633 HB1 ALA 86 HB1 ALA 86 1.216 -5.756 7.483 634 HB2 ALA 86 HB2 ALA 86 2.357 -7.015 7.013 635 HB3 ALA 86 HB3 ALA 86 1.640 -5.972 5.785 636 H LYS 87 HN LYS 87 2.641 -2.719 7.842 637 HA LYS 87 HA LYS 87 2.962 -3.480 10.659 638 HB2 LYS 87 HB2 LYS 87 4.225 -1.082 9.320 639 HB3 LYS 87 HB1 LYS 87 4.148 -1.315 11.061 640 HG2 LYS 87 HG2 LYS 87 6.197 -2.184 10.748 641 HG3 LYS 87 HG1 LYS 87 5.281 -3.639 10.348 642 HD2 LYS 87 HD2 LYS 87 5.402 -3.084 7.980 643 HD3 LYS 87 HD1 LYS 87 6.265 -1.592 8.360 644 HE2 LYS 87 HE2 LYS 87 7.275 -4.331 9.098 645 HE3 LYS 87 HE1 LYS 87 7.700 -3.514 7.595 646 HZ1 LYS 87 HZ1 LYS 87 8.437 -2.809 10.357 647 HZ2 LYS 87 HZ2 LYS 87 8.403 -1.611 9.163 648 HZ3 LYS 87 HZ3 LYS 87 9.425 -2.948 8.991 649 H GLU 88 HN GLU 88 1.985 -1.911 12.157 650 HA GLU 88 HA GLU 88 -0.285 -0.508 10.904 651 HB2 GLU 88 HB2 GLU 88 -0.207 -1.744 13.661 652 HB3 GLU 88 HB1 GLU 88 -1.598 -1.001 12.883 653 HG2 GLU 88 HG2 GLU 88 -1.647 -2.753 11.219 654 HG3 GLU 88 HG1 GLU 88 -0.191 -3.474 11.904 655 H GLN 89 HN GLN 89 -1.099 1.369 12.061 656 HA GLN 89 HA GLN 89 0.488 2.600 14.103 657 HB2 GLN 89 HB2 GLN 89 1.909 3.067 12.163 658 HB3 GLN 89 HB1 GLN 89 0.543 3.784 11.321 659 HG2 GLN 89 HG2 GLN 89 1.336 5.714 12.104 660 HG3 GLN 89 HG1 GLN 89 0.576 5.232 13.619 661 HE21 GLN 89 HE21 GLN 89 2.105 3.537 14.805 662 HE22 GLN 89 HE22 GLN 89 3.720 4.110 15.028 663 H VAL 90 HN VAL 90 -0.610 4.232 15.134 664 HA VAL 90 HA VAL 90 -3.320 4.770 14.120 665 HB VAL 90 HB VAL 90 -2.362 5.087 16.964 666 HG11 VAL 90 HG11 VAL 90 -4.890 4.890 17.340 667 HG12 VAL 90 HG12 VAL 90 -5.038 5.227 15.615 668 HG13 VAL 90 HG13 VAL 90 -4.272 6.405 16.681 669 HG21 VAL 90 HG21 VAL 90 -3.733 2.974 17.324 670 HG22 VAL 90 HG22 VAL 90 -2.161 2.779 16.549 671 HG23 VAL 90 HG23 VAL 90 -3.633 2.742 15.578 672 H VAL 91 HN VAL 91 -3.712 6.731 13.370 673 HA VAL 91 HA VAL 91 -2.719 9.090 14.681 674 HB VAL 91 HB VAL 91 -1.734 10.011 12.519 675 HG11 VAL 91 HG11 VAL 91 0.440 9.279 13.067 676 HG12 VAL 91 HG12 VAL 91 -0.152 7.745 13.702 677 HG13 VAL 91 HG13 VAL 91 -0.470 9.243 14.577 678 HG21 VAL 91 HG21 VAL 91 -2.401 8.490 10.873 679 HG22 VAL 91 HG22 VAL 91 -1.908 7.095 11.833 680 HG23 VAL 91 HG23 VAL 91 -0.688 8.143 11.110 681 H SER 92 HN SER 92 -4.817 9.770 14.889 682 HA SER 92 HA SER 92 -6.782 10.762 14.319 683 HB2 SER 92 HB2 SER 92 -5.345 11.221 11.694 684 HB3 SER 92 HB1 SER 92 -6.868 11.982 12.154 685 HG SER 92 HG SER 92 -4.507 12.898 12.647 686 H GLY 93 HN GLY 93 -6.273 7.879 13.774 687 HA2 GLY 93 HA2 GLY 93 -8.638 6.926 12.999 688 HA3 GLY 93 HA1 GLY 93 -7.921 7.318 11.443 689 H MET 94 HN MET 94 -6.844 5.738 10.474 690 HA MET 94 HA MET 94 -5.348 3.809 12.068 691 HB2 MET 94 HB2 MET 94 -7.568 3.060 10.164 692 HB3 MET 94 HB1 MET 94 -6.346 1.922 10.713 693 HG2 MET 94 HG2 MET 94 -8.051 3.458 12.639 694 HG3 MET 94 HG1 MET 94 -8.587 1.940 11.921 695 HE1 MET 94 HE1 MET 94 -6.115 3.415 14.848 696 HE2 MET 94 HE2 MET 94 -6.911 2.146 15.778 697 HE3 MET 94 HE3 MET 94 -7.871 3.259 14.803 698 H MET 95 HN MET 95 -3.378 3.848 11.233 699 HA MET 95 HA MET 95 -3.082 4.137 8.316 700 HB2 MET 95 HB2 MET 95 -2.055 5.786 10.216 701 HB3 MET 95 HB1 MET 95 -0.729 4.648 10.024 702 HG2 MET 95 HG2 MET 95 -0.596 5.123 7.671 703 HG3 MET 95 HG1 MET 95 -2.022 6.154 7.764 704 HE1 MET 95 HE1 MET 95 -2.103 8.192 7.826 705 HE2 MET 95 HE2 MET 95 -0.721 9.266 7.612 706 HE3 MET 95 HE3 MET 95 -1.468 9.096 9.201 707 H HIS 96 HN HIS 96 -1.853 2.684 7.201 708 HA HIS 96 HA HIS 96 -0.610 0.514 8.757 709 HB2 HIS 96 HB2 HIS 96 -2.870 0.072 7.467 710 HB3 HIS 96 HB1 HIS 96 -1.801 -0.045 6.073 711 HD1 HIS 96 HD1 HIS 96 -1.626 -1.459 9.612 712 HD2 HIS 96 HD2 HIS 96 -1.249 -2.646 5.648 713 HE1 HIS 96 HE1 HIS 96 -1.071 -3.911 9.694 714 HE2 HIS 96 HE2 HIS 96 -0.934 -4.626 7.283 715 H TYR 97 HN TYR 97 1.482 0.322 8.380 716 HA TYR 97 HA TYR 97 2.596 1.452 5.910 717 HB2 TYR 97 HB2 TYR 97 3.835 0.804 8.586 718 HB3 TYR 97 HB1 TYR 97 4.792 1.235 7.173 719 HD1 TYR 97 HD2 TYR 97 1.681 2.579 8.771 720 HD2 TYR 97 HD1 TYR 97 5.578 3.394 7.268 721 HE1 TYR 97 HE2 TYR 97 1.380 4.961 9.299 722 HE2 TYR 97 HE1 TYR 97 5.288 5.778 7.795 723 HH TYR 97 HH TYR 97 3.253 6.981 9.820 724 H LEU 98 HN LEU 98 2.291 -0.206 4.455 725 HA LEU 98 HA LEU 98 3.596 -2.768 5.100 726 HB2 LEU 98 HB2 LEU 98 2.120 -3.840 3.543 727 HB3 LEU 98 HB1 LEU 98 1.167 -2.902 4.678 728 HG LEU 98 HG LEU 98 1.831 -1.406 2.259 729 HD11 LEU 98 HD11 LEU 98 0.244 -3.954 2.031 730 HD12 LEU 98 HD12 LEU 98 1.702 -3.511 1.142 731 HD13 LEU 98 HD13 LEU 98 0.193 -2.647 0.849 732 HD21 LEU 98 HD21 LEU 98 -0.700 -1.139 2.330 733 HD22 LEU 98 HD22 LEU 98 0.213 -0.505 3.699 734 HD23 LEU 98 HD23 LEU 98 -0.639 -2.043 3.843 735 H THR 99 HN THR 99 5.063 -3.647 3.706 736 HA THR 99 HA THR 99 5.923 -1.920 1.481 737 HB THR 99 HB THR 99 7.697 -4.009 2.680 738 HG1 THR 99 HG1 THR 99 8.101 -2.855 4.411 739 HG21 THR 99 HG21 THR 99 8.137 -2.275 0.678 740 HG22 THR 99 HG22 THR 99 9.402 -2.899 1.737 741 HG23 THR 99 HG23 THR 99 8.689 -1.317 2.052 742 H VAL 100 HN VAL 100 6.110 -2.769 -0.544 743 HA VAL 100 HA VAL 100 5.750 -5.663 -0.855 744 HB VAL 100 HB VAL 100 4.038 -5.483 -2.461 745 HG11 VAL 100 HG11 VAL 100 3.475 -4.992 0.010 746 HG12 VAL 100 HG12 VAL 100 2.246 -4.691 -1.218 747 HG13 VAL 100 HG13 VAL 100 3.173 -3.348 -0.551 748 HG21 VAL 100 HG21 VAL 100 5.052 -2.778 -2.806 749 HG22 VAL 100 HG22 VAL 100 3.290 -2.846 -2.768 750 HG23 VAL 100 HG23 VAL 100 4.184 -3.816 -3.939 751 H GLU 101 HN GLU 101 6.320 -6.459 -3.009 752 HA GLU 101 HA GLU 101 8.656 -5.048 -4.016 753 HB2 GLU 101 HB2 GLU 101 7.602 -7.827 -4.193 754 HB3 GLU 101 HB1 GLU 101 8.627 -7.263 -5.505 755 HG2 GLU 101 HG2 GLU 101 10.452 -6.902 -4.057 756 HG3 GLU 101 HG1 GLU 101 9.440 -7.072 -2.623 757 H VAL 102 HN VAL 102 8.810 -4.097 -5.979 758 HA VAL 102 HA VAL 102 6.469 -4.288 -7.759 759 HB VAL 102 HB VAL 102 8.148 -1.810 -7.406 760 HG11 VAL 102 HG11 VAL 102 7.149 -1.396 -9.381 761 HG12 VAL 102 HG12 VAL 102 5.761 -0.998 -8.368 762 HG13 VAL 102 HG13 VAL 102 5.882 -2.593 -9.112 763 HG21 VAL 102 HG21 VAL 102 5.657 -2.693 -6.000 764 HG22 VAL 102 HG22 VAL 102 5.982 -0.980 -6.263 765 HG23 VAL 102 HG23 VAL 102 7.115 -1.959 -5.332 766 H ASN 103 HN ASN 103 6.848 -4.122 -9.991 767 HA ASN 103 HA ASN 103 9.659 -4.385 -10.821 768 HB2 ASN 103 HB2 ASN 103 8.494 -6.595 -10.787 769 HB3 ASN 103 HB1 ASN 103 7.346 -5.966 -11.965 770 HD21 ASN 103 HD21 ASN 103 10.070 -7.744 -11.609 771 HD22 ASN 103 HD22 ASN 103 10.737 -7.582 -13.194 772 H ASP 104 HN ASP 104 10.199 -3.515 -12.825 773 HA ASP 104 HA ASP 104 8.122 -2.224 -14.403 774 HB2 ASP 104 HB2 ASP 104 9.146 -0.675 -12.520 775 HB3 ASP 104 HB1 ASP 104 10.466 -0.520 -13.675 776 H ALA 105 HN ALA 105 8.529 -3.167 -16.305 777 HA ALA 105 HA ALA 105 9.602 -3.842 -18.195 778 HB1 ALA 105 HB1 ALA 105 11.855 -1.971 -17.832 779 HB2 ALA 105 HB2 ALA 105 10.243 -1.258 -17.853 780 HB3 ALA 105 HB3 ALA 105 10.798 -2.222 -19.221 781 H GLY 106 HN GLY 106 10.321 -5.105 -15.646 782 HA2 GLY 106 HA2 GLY 106 11.706 -7.076 -15.571 783 HA3 GLY 106 HA1 GLY 106 12.918 -6.205 -16.497 784 H LYS 107 HN LYS 107 12.530 -3.781 -14.799 785 HA LYS 107 HA LYS 107 14.549 -4.360 -12.887 786 HB2 LYS 107 HB2 LYS 107 12.915 -1.978 -13.616 787 HB3 LYS 107 HB1 LYS 107 13.715 -1.974 -12.050 788 HG2 LYS 107 HG2 LYS 107 15.837 -2.023 -12.993 789 HG3 LYS 107 HG1 LYS 107 15.238 -2.608 -14.546 790 HD2 LYS 107 HD2 LYS 107 15.717 -0.367 -14.963 791 HD3 LYS 107 HD1 LYS 107 13.979 -0.363 -14.660 792 HE2 LYS 107 HE2 LYS 107 14.601 1.379 -13.324 793 HE3 LYS 107 HE1 LYS 107 14.771 0.053 -12.175 794 HZ1 LYS 107 HZ1 LYS 107 17.184 -0.002 -13.101 795 HZ2 LYS 107 HZ2 LYS 107 16.756 1.138 -11.927 796 HZ3 LYS 107 HZ3 LYS 107 16.856 1.595 -13.552 797 H LYS 108 HN LYS 108 14.170 -5.571 -11.151 798 HA LYS 108 HA LYS 108 11.586 -5.356 -9.784 799 HB2 LYS 108 HB2 LYS 108 12.317 -7.610 -10.412 800 HB3 LYS 108 HB1 LYS 108 13.796 -7.398 -9.486 801 HG2 LYS 108 HG2 LYS 108 12.650 -8.477 -7.891 802 HG3 LYS 108 HG1 LYS 108 11.957 -6.884 -7.582 803 HD2 LYS 108 HD2 LYS 108 10.177 -7.530 -9.306 804 HD3 LYS 108 HD1 LYS 108 10.776 -9.179 -9.118 805 HE2 LYS 108 HE2 LYS 108 10.222 -7.743 -6.611 806 HE3 LYS 108 HE1 LYS 108 8.811 -8.083 -7.611 807 HZ1 LYS 108 HZ1 LYS 108 10.795 -10.126 -6.772 808 HZ2 LYS 108 HZ2 LYS 108 9.337 -10.403 -7.583 809 HZ3 LYS 108 HZ3 LYS 108 9.323 -9.848 -5.986 810 H LYS 109 HN LYS 109 11.383 -4.625 -7.730 811 HA LYS 109 HA LYS 109 13.647 -4.316 -5.986 812 HB2 LYS 109 HB2 LYS 109 12.526 -2.002 -7.483 813 HB3 LYS 109 HB1 LYS 109 12.942 -1.749 -5.793 814 HG2 LYS 109 HG2 LYS 109 15.188 -2.940 -6.591 815 HG3 LYS 109 HG1 LYS 109 14.688 -2.233 -8.129 816 HD2 LYS 109 HD2 LYS 109 14.520 -0.457 -5.780 817 HD3 LYS 109 HD1 LYS 109 16.148 -0.924 -6.276 818 HE2 LYS 109 HE2 LYS 109 16.032 0.227 -8.224 819 HE3 LYS 109 HE1 LYS 109 14.309 -0.083 -8.429 820 HZ1 LYS 109 HZ1 LYS 109 15.047 2.290 -7.927 821 HZ2 LYS 109 HZ2 LYS 109 15.290 1.759 -6.339 822 HZ3 LYS 109 HZ3 LYS 109 13.750 1.671 -7.034 823 H LEU 110 HN LEU 110 12.940 -3.077 -3.941 824 HA LEU 110 HA LEU 110 10.169 -3.856 -3.314 825 HB2 LEU 110 HB2 LEU 110 11.613 -5.236 -2.049 826 HB3 LEU 110 HB1 LEU 110 12.672 -3.898 -1.649 827 HG LEU 110 HG LEU 110 11.064 -2.986 -0.114 828 HD11 LEU 110 HD11 LEU 110 8.968 -3.279 -1.031 829 HD12 LEU 110 HD12 LEU 110 8.953 -4.443 0.294 830 HD13 LEU 110 HD13 LEU 110 9.233 -4.991 -1.359 831 HD21 LEU 110 HD21 LEU 110 10.794 -5.818 0.648 832 HD22 LEU 110 HD22 LEU 110 11.469 -4.457 1.544 833 HD23 LEU 110 HD23 LEU 110 12.435 -5.268 0.312 834 H TYR 111 HN TYR 111 8.830 -2.228 -2.926 835 HA TYR 111 HA TYR 111 9.952 0.299 -1.906 836 HB2 TYR 111 HB2 TYR 111 7.499 0.055 -3.650 837 HB3 TYR 111 HB1 TYR 111 8.347 1.527 -3.193 838 HD1 TYR 111 HD1 TYR 111 11.177 0.350 -3.675 839 HD2 TYR 111 HD2 TYR 111 7.621 0.411 -6.012 840 HE1 TYR 111 HE1 TYR 111 12.527 0.205 -5.724 841 HE2 TYR 111 HE2 TYR 111 8.963 0.265 -8.067 842 HH TYR 111 HH TYR 111 11.815 1.029 -8.460 843 H GLU 112 HN GLU 112 8.910 1.319 -0.249 844 HA GLU 112 HA GLU 112 6.954 -0.280 1.197 845 HB2 GLU 112 HB2 GLU 112 9.108 1.035 2.095 846 HB3 GLU 112 HB1 GLU 112 7.915 2.313 2.280 847 HG2 GLU 112 HG2 GLU 112 6.986 -0.241 3.304 848 HG3 GLU 112 HG1 GLU 112 8.464 0.315 4.088 849 H ALA 113 HN ALA 113 4.907 0.387 1.733 850 HA ALA 113 HA ALA 113 3.984 2.958 0.650 851 HB1 ALA 113 HB1 ALA 113 2.361 2.069 -0.653 852 HB2 ALA 113 HB2 ALA 113 2.109 0.686 0.412 853 HB3 ALA 113 HB3 ALA 113 3.476 0.703 -0.703 854 H LYS 114 HN LYS 114 2.767 4.089 2.038 855 HA LYS 114 HA LYS 114 1.627 2.652 4.345 856 HB2 LYS 114 HB2 LYS 114 1.935 4.753 5.642 857 HB3 LYS 114 HB1 LYS 114 3.444 4.014 5.125 858 HG2 LYS 114 HG2 LYS 114 3.127 5.658 3.087 859 HG3 LYS 114 HG1 LYS 114 2.184 6.557 4.276 860 HD2 LYS 114 HD2 LYS 114 4.327 7.426 4.536 861 HD3 LYS 114 HD1 LYS 114 4.228 6.217 5.816 862 HE2 LYS 114 HE2 LYS 114 5.517 4.664 4.571 863 HE3 LYS 114 HE1 LYS 114 5.389 5.633 3.103 864 HZ1 LYS 114 HZ1 LYS 114 6.706 6.689 5.528 865 HZ2 LYS 114 HZ2 LYS 114 6.869 7.208 3.927 866 HZ3 LYS 114 HZ3 LYS 114 7.554 5.740 4.413 867 H VAL 115 HN VAL 115 -0.504 2.625 4.338 868 HA VAL 115 HA VAL 115 -1.949 4.773 2.943 869 HB VAL 115 HB VAL 115 -2.371 2.517 2.079 870 HG11 VAL 115 HG11 VAL 115 -3.958 1.224 3.873 871 HG12 VAL 115 HG12 VAL 115 -2.732 1.929 4.926 872 HG13 VAL 115 HG13 VAL 115 -2.252 0.872 3.598 873 HG21 VAL 115 HG21 VAL 115 -4.732 3.714 3.528 874 HG22 VAL 115 HG22 VAL 115 -4.824 2.565 2.192 875 HG23 VAL 115 HG23 VAL 115 -4.145 4.171 1.929 876 H TRP 116 HN TRP 116 -3.785 5.723 3.896 877 HA TRP 116 HA TRP 116 -4.030 5.323 6.804 878 HB2 TRP 116 HB2 TRP 116 -2.824 7.416 6.287 879 HB3 TRP 116 HB1 TRP 116 -4.193 7.957 5.328 880 HD1 TRP 116 HD1 TRP 116 -3.929 6.590 8.964 881 HE1 TRP 116 HE1 TRP 116 -5.243 8.190 10.494 882 HE3 TRP 116 HE3 TRP 116 -5.449 9.993 5.465 883 HZ2 TRP 116 HZ2 TRP 116 -6.726 10.581 10.248 884 HZ3 TRP 116 HZ3 TRP 116 -6.814 11.906 6.194 885 HH2 TRP 116 HH2 TRP 116 -7.440 12.192 8.537 886 H GLU 117 HN GLU 117 -6.070 5.384 7.672 887 HA GLU 117 HA GLU 117 -8.345 6.106 6.030 888 HB2 GLU 117 HB2 GLU 117 -7.996 3.800 5.349 889 HB3 GLU 117 HB1 GLU 117 -7.941 3.282 7.028 890 HG2 GLU 117 HG2 GLU 117 -10.382 4.716 6.313 891 HG3 GLU 117 HG1 GLU 117 -10.139 3.216 5.420 892 H GLN 118 HN GLN 118 -9.793 7.106 7.271 893 HA GLN 118 HA GLN 118 -9.598 6.794 10.175 894 HB2 GLN 118 HB2 GLN 118 -11.263 8.867 8.782 895 HB3 GLN 118 HB1 GLN 118 -10.542 8.923 10.382 896 HG2 GLN 118 HG2 GLN 118 -9.129 10.322 9.304 897 HG3 GLN 118 HG1 GLN 118 -8.303 8.796 8.988 898 HE21 GLN 118 HE21 GLN 118 -7.670 8.551 6.980 899 HE22 GLN 118 HE22 GLN 118 -8.427 9.217 5.577 900 H VAL 119 HN VAL 119 -11.834 7.206 11.286 901 HA VAL 119 HA VAL 119 -13.786 5.396 10.018 902 HB VAL 119 HB VAL 119 -12.777 4.433 12.040 903 HG11 VAL 119 HG11 VAL 119 -12.258 6.530 13.197 904 HG12 VAL 119 HG12 VAL 119 -13.162 5.421 14.229 905 HG13 VAL 119 HG13 VAL 119 -13.978 6.794 13.481 906 HG21 VAL 119 HG21 VAL 119 -15.078 3.858 11.464 907 HG22 VAL 119 HG22 VAL 119 -15.665 5.226 12.410 908 HG23 VAL 119 HG23 VAL 119 -14.852 3.883 13.213 909 H TRP 120 HN TRP 120 -13.343 8.333 11.908 910 HA TRP 120 HA TRP 120 -16.174 8.939 11.905 911 HB2 TRP 120 HB2 TRP 120 -15.463 11.036 13.043 912 HB3 TRP 120 HB1 TRP 120 -14.894 9.580 13.854 913 HD1 TRP 120 HD1 TRP 120 -13.608 12.516 11.738 914 HE1 TRP 120 HE1 TRP 120 -11.065 12.713 12.083 915 HE3 TRP 120 HE3 TRP 120 -12.832 8.286 14.503 916 HZ2 TRP 120 HZ2 TRP 120 -9.003 11.266 13.356 917 HZ3 TRP 120 HZ3 TRP 120 -10.545 7.764 15.243 918 HH2 TRP 120 HH2 TRP 120 -8.671 9.224 14.680 919 H MET 121 HN MET 121 -13.438 9.563 9.917 920 HA MET 121 HA MET 121 -14.764 11.802 8.579 921 HB2 MET 121 HB2 MET 121 -12.390 12.076 9.139 922 HB3 MET 121 HB1 MET 121 -11.996 10.645 8.199 923 HG2 MET 121 HG2 MET 121 -11.687 11.952 6.446 924 HG3 MET 121 HG1 MET 121 -13.414 12.303 6.458 925 HE1 MET 121 HE1 MET 121 -10.734 14.029 5.507 926 HE2 MET 121 HE2 MET 121 -9.839 13.689 6.988 927 HE3 MET 121 HE3 MET 121 -10.310 15.345 6.602 928 H ASN 122 HN ASN 122 -14.028 8.447 8.206 929 HA ASN 122 HA ASN 122 -14.573 6.911 6.631 930 HB2 ASN 122 HB2 ASN 122 -16.531 9.101 6.112 931 HB3 ASN 122 HB1 ASN 122 -16.389 7.820 4.912 932 HD21 ASN 122 HD21 ASN 122 -16.315 7.922 8.460 933 HD22 ASN 122 HD22 ASN 122 -17.534 6.720 8.689 934 H PHE 123 HN PHE 123 -12.271 8.409 6.188 935 HA PHE 123 HA PHE 123 -12.219 8.516 3.245 936 HB2 PHE 123 HB2 PHE 123 -11.854 10.695 4.871 937 HB3 PHE 123 HB1 PHE 123 -10.199 10.154 4.613 938 HD1 PHE 123 HD2 PHE 123 -9.888 9.374 1.982 939 HD2 PHE 123 HD1 PHE 123 -12.499 12.384 3.478 940 HE1 PHE 123 HE2 PHE 123 -9.869 10.477 -0.217 941 HE2 PHE 123 HE1 PHE 123 -12.485 13.492 1.282 942 HZ PHE 123 HZ PHE 123 -11.169 12.540 -0.569 943 H ARG 124 HN ARG 124 -10.545 7.504 2.240 944 HA ARG 124 HA ARG 124 -8.308 6.509 3.822 945 HB2 ARG 124 HB2 ARG 124 -8.601 4.218 2.842 946 HB3 ARG 124 HB1 ARG 124 -9.827 4.674 4.016 947 HG2 ARG 124 HG2 ARG 124 -10.339 5.123 1.114 948 HG3 ARG 124 HG1 ARG 124 -10.504 3.503 1.794 949 HD2 ARG 124 HD2 ARG 124 -12.369 4.036 2.945 950 HD3 ARG 124 HD1 ARG 124 -11.789 5.655 3.334 951 HE ARG 124 HE ARG 124 -12.931 6.447 1.525 952 HH11 ARG 124 HH11 ARG 124 -12.536 2.999 1.159 953 HH12 ARG 124 HH12 ARG 124 -13.536 2.908 -0.252 954 HH21 ARG 124 HH21 ARG 124 -14.247 6.330 -0.330 955 HH22 ARG 124 HH22 ARG 124 -14.508 4.799 -1.098 956 H GLN 125 HN GLN 125 -6.451 6.685 2.731 957 HA GLN 125 HA GLN 125 -6.283 6.271 -0.100 958 HB2 GLN 125 HB2 GLN 125 -5.558 8.511 -0.721 959 HB3 GLN 125 HB1 GLN 125 -7.185 8.559 -0.057 960 HG2 GLN 125 HG2 GLN 125 -5.668 8.989 2.163 961 HG3 GLN 125 HG1 GLN 125 -4.717 9.787 0.910 962 HE21 GLN 125 HE21 GLN 125 -5.668 11.364 2.802 963 HE22 GLN 125 HE22 GLN 125 -7.007 12.301 2.244 964 H LEU 126 HN LEU 126 -3.999 6.912 -0.890 965 HA LEU 126 HA LEU 126 -2.126 5.673 0.900 966 HB2 LEU 126 HB2 LEU 126 -1.949 5.136 -1.417 967 HB3 LEU 126 HB1 LEU 126 -1.878 6.827 -1.871 968 HG LEU 126 HG LEU 126 0.291 6.046 -0.074 969 HD11 LEU 126 HD11 LEU 126 0.623 4.022 -1.013 970 HD12 LEU 126 HD12 LEU 126 1.381 4.982 -2.283 971 HD13 LEU 126 HD13 LEU 126 -0.281 4.427 -2.472 972 HD21 LEU 126 HD21 LEU 126 -0.018 8.154 -1.495 973 HD22 LEU 126 HD22 LEU 126 0.488 7.153 -2.856 974 HD23 LEU 126 HD23 LEU 126 1.574 7.394 -1.487 975 H GLN 127 HN GLN 127 -0.464 6.592 2.009 976 HA GLN 127 HA GLN 127 -0.547 9.499 2.272 977 HB2 GLN 127 HB2 GLN 127 0.183 7.249 4.016 978 HB3 GLN 127 HB1 GLN 127 1.255 8.636 4.145 979 HG2 GLN 127 HG2 GLN 127 -0.686 8.564 5.748 980 HG3 GLN 127 HG1 GLN 127 -0.483 10.055 4.831 981 HE21 GLN 127 HE21 GLN 127 -1.839 7.014 3.688 982 HE22 GLN 127 HE22 GLN 127 -3.428 7.622 3.392 983 H GLU 128 HN GLU 128 2.015 7.009 2.160 984 HA GLU 128 HA GLU 128 3.518 8.690 0.314 985 HB2 GLU 128 HB2 GLU 128 4.981 7.604 2.692 986 HB3 GLU 128 HB1 GLU 128 5.438 8.912 1.612 987 HG2 GLU 128 HG2 GLU 128 3.108 9.110 3.495 988 HG3 GLU 128 HG1 GLU 128 4.751 9.556 3.954 989 H PHE 129 HN PHE 129 5.290 7.598 -0.707 990 HA PHE 129 HA PHE 129 5.308 4.679 -0.458 991 HB2 PHE 129 HB2 PHE 129 3.804 5.659 -2.386 992 HB3 PHE 129 HB1 PHE 129 5.349 5.891 -3.197 993 HD1 PHE 129 HD2 PHE 129 6.677 3.997 -3.911 994 HD2 PHE 129 HD1 PHE 129 2.930 3.450 -1.969 995 HE1 PHE 129 HE2 PHE 129 6.643 1.650 -4.645 996 HE2 PHE 129 HE1 PHE 129 2.891 1.100 -2.698 997 HZ PHE 129 HZ PHE 129 4.749 0.197 -4.039 998 H THR 130 HN THR 130 7.353 4.292 0.126 999 HA THR 130 HA THR 130 9.505 5.892 -1.051 1000 HB THR 130 HB THR 130 10.881 5.182 0.750 1001 HG1 THR 130 HG1 THR 130 10.399 3.478 2.049 1002 HG21 THR 130 HG21 THR 130 9.844 6.036 2.603 1003 HG22 THR 130 HG22 THR 130 8.292 5.295 2.212 1004 HG23 THR 130 HG23 THR 130 8.848 6.705 1.310 1005 H TYR 131 HN TYR 131 11.353 4.916 -1.976 1006 HA TYR 131 HA TYR 131 10.828 2.232 -3.061 1007 HB2 TYR 131 HB2 TYR 131 12.481 2.933 -4.853 1008 HB3 TYR 131 HB1 TYR 131 10.944 3.793 -4.850 1009 HD1 TYR 131 HD2 TYR 131 10.835 6.129 -4.058 1010 HD2 TYR 131 HD1 TYR 131 14.541 4.068 -4.397 1011 HE1 TYR 131 HE2 TYR 131 12.032 8.274 -3.944 1012 HE2 TYR 131 HE1 TYR 131 15.748 6.207 -4.283 1013 HH TYR 131 HH TYR 131 15.294 8.604 -4.740 1014 H LEU 132 HN LEU 132 11.873 0.762 -1.873 1015 HA LEU 132 HA LEU 132 14.455 1.377 -0.696 1016 HB2 LEU 132 HB2 LEU 132 13.204 -1.330 -0.552 1017 HB3 LEU 132 HB1 LEU 132 14.180 -0.492 0.639 1018 HG LEU 132 HG LEU 132 11.288 0.056 -0.025 1019 HD11 LEU 132 HD11 LEU 132 11.091 -1.682 1.399 1020 HD12 LEU 132 HD12 LEU 132 11.368 -0.431 2.611 1021 HD13 LEU 132 HD13 LEU 132 12.703 -1.452 2.077 1022 HD21 LEU 132 HD21 LEU 132 11.515 1.615 1.986 1023 HD22 LEU 132 HD22 LEU 132 12.173 2.172 0.447 1024 HD23 LEU 132 HD23 LEU 132 13.252 1.540 1.691 1025 H GLY 133 HN GLY 133 16.064 -0.589 -0.780 1026 HA2 GLY 133 HA2 GLY 133 17.095 -0.709 -3.375 1027 HA3 GLY 133 HA1 GLY 133 17.571 -1.762 -2.052 1028 H ASP 134 HN ASP 134 16.386 -3.731 -1.720 1029 HA ASP 134 HA ASP 134 14.456 -4.590 -3.663 1030 HB2 ASP 134 HB2 ASP 134 15.812 -6.443 -4.576 1031 HB3 ASP 134 HB1 ASP 134 16.475 -4.867 -5.000 1032 H ALA 135 HN ALA 135 13.567 -6.674 -3.182 1033 HA ALA 135 HA ALA 135 13.943 -7.403 -0.368 1034 HB1 ALA 135 HB1 ALA 135 11.669 -7.405 -2.222 1035 HB2 ALA 135 HB2 ALA 135 11.709 -7.197 -0.472 1036 HB3 ALA 135 HB3 ALA 135 11.765 -8.816 -1.169 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 10.116 2.196 20.854 2 H2 MET 1 HT2 MET 1 10.746 3.550 20.008 3 H3 MET 1 HT3 MET 1 11.791 2.281 20.502 4 HA MET 1 HA MET 1 10.917 0.804 18.988 5 HB2 MET 1 HB2 MET 1 8.584 2.325 19.416 6 HB3 MET 1 HB1 MET 1 8.931 2.456 17.697 7 HG2 MET 1 HG2 MET 1 8.454 0.297 17.296 8 HG3 MET 1 HG1 MET 1 9.124 -0.251 18.831 9 HE1 MET 1 HE1 MET 1 6.660 -0.723 21.154 10 HE2 MET 1 HE2 MET 1 8.098 -1.242 20.274 11 HE3 MET 1 HE3 MET 1 6.514 -1.880 19.831 12 H ALA 2 HN ALA 2 11.103 0.886 16.592 13 HA ALA 2 HA ALA 2 13.252 2.481 15.788 14 HB1 ALA 2 HB1 ALA 2 12.246 1.757 13.414 15 HB2 ALA 2 HB2 ALA 2 11.384 0.622 14.453 16 HB3 ALA 2 HB3 ALA 2 13.147 0.655 14.455 17 H ASP 3 HN ASP 3 9.809 2.743 14.905 18 HA ASP 3 HA ASP 3 8.560 4.482 14.141 19 HB2 ASP 3 HB2 ASP 3 10.683 5.896 15.723 20 HB3 ASP 3 HB1 ASP 3 9.495 6.823 14.812 21 H GLU 4 HN GLU 4 9.134 3.800 11.972 22 HA GLU 4 HA GLU 4 11.296 4.898 10.534 23 HB2 GLU 4 HB2 GLU 4 9.508 2.945 10.023 24 HB3 GLU 4 HB1 GLU 4 8.825 4.235 9.042 25 HG2 GLU 4 HG2 GLU 4 10.212 3.455 7.474 26 HG3 GLU 4 HG1 GLU 4 11.426 4.399 8.336 27 H GLN 5 HN GLN 5 7.846 5.640 10.065 28 HA GLN 5 HA GLN 5 8.503 8.481 9.874 29 HB2 GLN 5 HB2 GLN 5 7.158 6.862 7.714 30 HB3 GLN 5 HB1 GLN 5 7.014 8.612 7.812 31 HG2 GLN 5 HG2 GLN 5 9.069 8.953 7.002 32 HG3 GLN 5 HG1 GLN 5 9.764 7.622 7.926 33 HE21 GLN 5 HE21 GLN 5 9.276 5.429 7.115 34 HE22 GLN 5 HE22 GLN 5 9.207 5.192 5.405 35 HA PRO 6 HA PRO 6 4.413 7.379 11.970 36 HB2 PRO 6 HB2 PRO 6 5.078 7.878 14.532 37 HB3 PRO 6 HB1 PRO 6 5.364 6.304 13.778 38 HG2 PRO 6 HG2 PRO 6 7.283 8.553 14.252 39 HG3 PRO 6 HG1 PRO 6 7.519 6.812 14.492 40 HD2 PRO 6 HD2 PRO 6 8.422 8.158 12.299 41 HD3 PRO 6 HD1 PRO 6 7.969 6.443 12.270 42 H LYS 7 HN LYS 7 2.918 8.942 12.190 43 HA LYS 7 HA LYS 7 1.960 10.999 12.331 44 HB2 LYS 7 HB2 LYS 7 4.220 11.166 14.262 45 HB3 LYS 7 HB1 LYS 7 3.413 12.665 13.821 46 HG2 LYS 7 HG2 LYS 7 1.656 10.418 14.565 47 HG3 LYS 7 HG1 LYS 7 2.643 11.105 15.857 48 HD2 LYS 7 HD2 LYS 7 1.715 13.359 14.682 49 HD3 LYS 7 HD1 LYS 7 0.365 12.260 14.389 50 HE2 LYS 7 HE2 LYS 7 -0.172 12.121 16.584 51 HE3 LYS 7 HE1 LYS 7 1.506 12.231 17.112 52 HZ1 LYS 7 HZ1 LYS 7 -0.434 14.349 16.637 53 HZ2 LYS 7 HZ2 LYS 7 1.159 14.678 16.174 54 HZ3 LYS 7 HZ3 LYS 7 0.815 14.258 17.776 55 H LYS 8 HN LYS 8 1.890 12.134 10.514 56 HA LYS 8 HA LYS 8 3.809 14.110 9.888 57 HB2 LYS 8 HB2 LYS 8 4.075 11.473 8.564 58 HB3 LYS 8 HB1 LYS 8 4.182 12.880 7.516 59 HG2 LYS 8 HG2 LYS 8 5.844 13.660 9.465 60 HG3 LYS 8 HG1 LYS 8 6.043 11.910 9.586 61 HD2 LYS 8 HD2 LYS 8 7.667 12.477 8.040 62 HD3 LYS 8 HD1 LYS 8 6.312 12.027 7.003 63 HE2 LYS 8 HE2 LYS 8 5.864 14.215 6.414 64 HE3 LYS 8 HE1 LYS 8 6.638 14.869 7.857 65 HZ1 LYS 8 HZ1 LYS 8 7.804 15.042 5.561 66 HZ2 LYS 8 HZ2 LYS 8 8.270 13.446 5.870 67 HZ3 LYS 8 HZ3 LYS 8 8.716 14.678 6.939 68 HA PRO 9 HA PRO 9 0.337 15.676 7.671 69 HB2 PRO 9 HB2 PRO 9 1.532 17.236 5.794 70 HB3 PRO 9 HB1 PRO 9 1.451 17.678 7.503 71 HG2 PRO 9 HG2 PRO 9 3.707 16.443 5.971 72 HG3 PRO 9 HG1 PRO 9 3.752 17.746 7.174 73 HD2 PRO 9 HD2 PRO 9 4.406 15.192 7.777 74 HD3 PRO 9 HD1 PRO 9 3.636 16.279 8.951 75 H VAL 10 HN VAL 10 -0.948 14.706 6.242 76 HA VAL 10 HA VAL 10 0.267 13.205 4.036 77 HB VAL 10 HB VAL 10 -1.709 11.900 3.919 78 HG11 VAL 10 HG11 VAL 10 -1.379 12.366 6.867 79 HG12 VAL 10 HG12 VAL 10 -0.147 11.566 5.891 80 HG13 VAL 10 HG13 VAL 10 -1.758 10.861 6.028 81 HG21 VAL 10 HG21 VAL 10 -2.943 14.097 5.534 82 HG22 VAL 10 HG22 VAL 10 -3.637 12.475 5.548 83 HG23 VAL 10 HG23 VAL 10 -3.503 13.364 4.030 84 HA PRO 11 HA PRO 11 -1.294 15.976 0.979 85 HB2 PRO 11 HB2 PRO 11 -1.696 14.331 -1.118 86 HB3 PRO 11 HB1 PRO 11 -0.077 14.713 -0.521 87 HG2 PRO 11 HG2 PRO 11 -1.755 12.285 -0.024 88 HG3 PRO 11 HG1 PRO 11 -0.022 12.393 -0.382 89 HD2 PRO 11 HD2 PRO 11 -1.017 12.058 2.137 90 HD3 PRO 11 HD1 PRO 11 0.523 12.871 1.797 91 H ALA 12 HN ALA 12 -3.103 15.738 -0.971 92 HA ALA 12 HA ALA 12 -5.585 14.732 0.221 93 HB1 ALA 12 HB1 ALA 12 -6.753 16.824 -0.307 94 HB2 ALA 12 HB2 ALA 12 -5.225 17.541 -0.819 95 HB3 ALA 12 HB3 ALA 12 -5.459 17.073 0.865 96 H ALA 13 HN ALA 13 -6.569 13.481 -1.210 97 HA ALA 13 HA ALA 13 -7.191 14.262 -3.839 98 HB1 ALA 13 HB1 ALA 13 -5.144 12.069 -3.835 99 HB2 ALA 13 HB2 ALA 13 -4.681 13.764 -3.992 100 HB3 ALA 13 HB3 ALA 13 -5.742 13.025 -5.191 101 H GLU 14 HN GLU 14 -7.926 12.233 -5.163 102 HA GLU 14 HA GLU 14 -8.622 9.854 -3.852 103 HB2 GLU 14 HB2 GLU 14 -11.082 10.249 -3.619 104 HB3 GLU 14 HB1 GLU 14 -10.095 11.144 -2.472 105 HG2 GLU 14 HG2 GLU 14 -10.731 13.133 -3.278 106 HG3 GLU 14 HG1 GLU 14 -10.689 12.583 -4.953 107 H GLU 15 HN GLU 15 -7.862 9.178 -5.914 108 HA GLU 15 HA GLU 15 -9.940 8.702 -7.792 109 HB2 GLU 15 HB2 GLU 15 -8.002 10.895 -8.328 110 HB3 GLU 15 HB1 GLU 15 -8.419 9.837 -9.669 111 HG2 GLU 15 HG2 GLU 15 -10.875 10.382 -8.720 112 HG3 GLU 15 HG1 GLU 15 -10.032 11.867 -8.280 113 H ALA 16 HN ALA 16 -8.738 7.888 -9.983 114 HA ALA 16 HA ALA 16 -6.287 6.459 -9.390 115 HB1 ALA 16 HB1 ALA 16 -8.566 5.172 -8.710 116 HB2 ALA 16 HB2 ALA 16 -7.083 4.361 -9.215 117 HB3 ALA 16 HB3 ALA 16 -8.376 4.641 -10.381 118 HA PRO 17 HA PRO 17 -5.642 6.844 -13.731 119 HB2 PRO 17 HB2 PRO 17 -4.320 4.566 -14.375 120 HB3 PRO 17 HB1 PRO 17 -3.582 5.866 -13.432 121 HG2 PRO 17 HG2 PRO 17 -4.798 3.298 -12.490 122 HG3 PRO 17 HG1 PRO 17 -3.298 4.085 -11.964 123 HD2 PRO 17 HD2 PRO 17 -5.608 4.252 -10.556 124 HD3 PRO 17 HD1 PRO 17 -4.408 5.560 -10.584 125 H ALA 18 HN ALA 18 -7.957 6.696 -14.202 126 HA ALA 18 HA ALA 18 -9.725 5.904 -15.396 127 HB1 ALA 18 HB1 ALA 18 -7.422 4.436 -16.592 128 HB2 ALA 18 HB2 ALA 18 -8.485 5.645 -17.312 129 HB3 ALA 18 HB3 ALA 18 -9.063 3.997 -17.067 130 H ALA 19 HN ALA 19 -11.012 3.840 -15.898 131 HA ALA 19 HA ALA 19 -10.840 2.086 -13.542 132 HB1 ALA 19 HB1 ALA 19 -13.310 1.601 -14.397 133 HB2 ALA 19 HB2 ALA 19 -13.108 3.214 -15.082 134 HB3 ALA 19 HB3 ALA 19 -12.927 2.964 -13.345 135 H GLU 20 HN GLU 20 -11.024 2.154 -17.031 136 HA GLU 20 HA GLU 20 -11.462 -0.644 -17.374 137 HB2 GLU 20 HB2 GLU 20 -11.668 1.484 -19.023 138 HB3 GLU 20 HB1 GLU 20 -10.100 0.867 -19.526 139 HG2 GLU 20 HG2 GLU 20 -11.253 -0.457 -20.889 140 HG3 GLU 20 HG1 GLU 20 -11.614 -1.405 -19.447 141 H ALA 21 HN ALA 21 -9.650 -1.578 -19.119 142 HA ALA 21 HA ALA 21 -7.629 -2.614 -19.272 143 HB1 ALA 21 HB1 ALA 21 -6.539 -0.630 -19.724 144 HB2 ALA 21 HB2 ALA 21 -5.656 -1.215 -18.314 145 HB3 ALA 21 HB3 ALA 21 -6.878 0.043 -18.129 146 H GLU 22 HN GLU 22 -7.544 -4.424 -18.104 147 HA GLU 22 HA GLU 22 -6.761 -4.205 -15.280 148 HB2 GLU 22 HB2 GLU 22 -8.247 -6.043 -14.691 149 HB3 GLU 22 HB1 GLU 22 -9.165 -4.716 -15.391 150 HG2 GLU 22 HG2 GLU 22 -8.630 -6.224 -17.589 151 HG3 GLU 22 HG1 GLU 22 -8.790 -7.456 -16.338 152 H ALA 23 HN ALA 23 -6.376 -6.740 -14.579 153 HA ALA 23 HA ALA 23 -4.906 -8.473 -14.687 154 HB1 ALA 23 HB1 ALA 23 -4.710 -9.672 -16.748 155 HB2 ALA 23 HB2 ALA 23 -5.208 -8.259 -17.678 156 HB3 ALA 23 HB3 ALA 23 -6.363 -9.071 -16.622 157 H GLU 24 HN GLU 24 -3.862 -5.815 -14.576 158 HA GLU 24 HA GLU 24 -1.397 -6.038 -16.163 159 HB2 GLU 24 HB2 GLU 24 -2.936 -3.744 -15.054 160 HB3 GLU 24 HB1 GLU 24 -1.189 -3.577 -15.154 161 HG2 GLU 24 HG2 GLU 24 -1.218 -3.913 -17.514 162 HG3 GLU 24 HG1 GLU 24 -2.927 -4.346 -17.483 163 H GLU 25 HN GLU 25 -1.912 -7.597 -13.766 164 HA GLU 25 HA GLU 25 0.024 -6.426 -11.888 165 HB2 GLU 25 HB2 GLU 25 -0.865 -7.989 -10.230 166 HB3 GLU 25 HB1 GLU 25 -2.149 -7.000 -10.912 167 HG2 GLU 25 HG2 GLU 25 -2.199 -9.164 -12.557 168 HG3 GLU 25 HG1 GLU 25 -1.736 -9.892 -11.020 169 H GLU 26 HN GLU 26 1.496 -7.998 -10.809 170 HA GLU 26 HA GLU 26 2.510 -9.915 -12.794 171 HB2 GLU 26 HB2 GLU 26 3.903 -8.475 -10.533 172 HB3 GLU 26 HB1 GLU 26 4.659 -9.730 -11.504 173 HG2 GLU 26 HG2 GLU 26 3.438 -7.420 -12.910 174 HG3 GLU 26 HG1 GLU 26 4.958 -7.171 -12.052 175 H GLU 27 HN GLU 27 1.415 -11.769 -12.303 176 HA GLU 27 HA GLU 27 0.901 -13.698 -11.214 177 HB2 GLU 27 HB2 GLU 27 3.448 -12.842 -9.935 178 HB3 GLU 27 HB1 GLU 27 2.535 -14.122 -9.147 179 HG2 GLU 27 HG2 GLU 27 3.217 -14.250 -12.061 180 HG3 GLU 27 HG1 GLU 27 4.348 -14.784 -10.818 181 H GLY 28 HN GLY 28 0.625 -14.555 -8.741 182 HA2 GLY 28 HA2 GLY 28 -0.128 -13.936 -6.542 183 HA3 GLY 28 HA1 GLY 28 -0.678 -12.406 -7.207 184 H LEU 29 HN LEU 29 -2.754 -12.212 -7.797 185 HA LEU 29 HA LEU 29 -4.328 -14.605 -8.354 186 HB2 LEU 29 HB2 LEU 29 -4.928 -12.639 -6.152 187 HB3 LEU 29 HB1 LEU 29 -6.143 -13.709 -6.825 188 HG LEU 29 HG LEU 29 -3.602 -14.859 -5.741 189 HD11 LEU 29 HD11 LEU 29 -4.167 -14.634 -3.570 190 HD12 LEU 29 HD12 LEU 29 -5.899 -14.690 -3.902 191 HD13 LEU 29 HD13 LEU 29 -5.000 -13.195 -4.161 192 HD21 LEU 29 HD21 LEU 29 -5.677 -15.995 -7.013 193 HD22 LEU 29 HD22 LEU 29 -6.248 -16.102 -5.348 194 HD23 LEU 29 HD23 LEU 29 -4.706 -16.828 -5.799 195 H HIS 30 HN HIS 30 -6.741 -13.768 -8.765 196 HA HIS 30 HA HIS 30 -6.463 -11.573 -10.702 197 HB2 HIS 30 HB2 HIS 30 -8.182 -14.025 -10.608 198 HB3 HIS 30 HB1 HIS 30 -8.724 -12.623 -11.523 199 HD1 HIS 30 HD1 HIS 30 -8.368 -14.787 -13.344 200 HD2 HIS 30 HD2 HIS 30 -5.057 -12.642 -12.037 201 HE1 HIS 30 HE1 HIS 30 -6.574 -15.212 -15.054 202 HE2 HIS 30 HE2 HIS 30 -4.608 -13.834 -14.288 203 H LEU 31 HN LEU 31 -8.878 -10.667 -11.136 204 HA LEU 31 HA LEU 31 -10.541 -10.331 -8.868 205 HB2 LEU 31 HB2 LEU 31 -8.392 -8.951 -8.379 206 HB3 LEU 31 HB1 LEU 31 -9.046 -7.825 -9.553 207 HG LEU 31 HG LEU 31 -10.815 -8.686 -7.318 208 HD11 LEU 31 HD11 LEU 31 -8.967 -8.221 -5.985 209 HD12 LEU 31 HD12 LEU 31 -9.834 -6.686 -6.038 210 HD13 LEU 31 HD13 LEU 31 -8.406 -6.927 -7.045 211 HD21 LEU 31 HD21 LEU 31 -10.501 -6.378 -9.161 212 HD22 LEU 31 HD22 LEU 31 -11.197 -6.078 -7.568 213 HD23 LEU 31 HD23 LEU 31 -11.957 -7.238 -8.658 214 H GLU 32 HN GLU 32 -12.419 -9.151 -9.332 215 HA GLU 32 HA GLU 32 -13.245 -9.153 -12.008 216 HB2 GLU 32 HB2 GLU 32 -14.621 -9.150 -9.788 217 HB3 GLU 32 HB1 GLU 32 -14.559 -7.401 -9.960 218 HG2 GLU 32 HG2 GLU 32 -15.747 -7.461 -11.996 219 HG3 GLU 32 HG1 GLU 32 -15.546 -9.206 -12.146 220 H ASP 33 HN ASP 33 -14.021 -7.286 -13.264 221 HA ASP 33 HA ASP 33 -11.976 -5.402 -13.680 222 HB2 ASP 33 HB2 ASP 33 -14.853 -5.295 -14.611 223 HB3 ASP 33 HB1 ASP 33 -13.523 -4.349 -15.270 224 H ASP 34 HN ASP 34 -11.578 -4.340 -11.720 225 HA ASP 34 HA ASP 34 -12.963 -1.914 -11.346 226 HB2 ASP 34 HB2 ASP 34 -14.385 -3.899 -10.206 227 HB3 ASP 34 HB1 ASP 34 -13.298 -3.517 -8.874 228 H GLN 35 HN GLN 35 -12.226 -0.840 -9.203 229 HA GLN 35 HA GLN 35 -9.427 -0.751 -9.195 230 HB2 GLN 35 HB2 GLN 35 -11.547 0.320 -7.366 231 HB3 GLN 35 HB1 GLN 35 -9.853 0.463 -6.920 232 HG2 GLN 35 HG2 GLN 35 -10.699 2.473 -8.025 233 HG3 GLN 35 HG1 GLN 35 -9.388 1.716 -8.929 234 HE21 GLN 35 HE21 GLN 35 -9.738 1.061 -10.971 235 HE22 GLN 35 HE22 GLN 35 -11.249 1.196 -11.799 236 H GLU 36 HN GLU 36 -8.308 -0.851 -6.853 237 HA GLU 36 HA GLU 36 -8.690 -3.627 -5.962 238 HB2 GLU 36 HB2 GLU 36 -6.271 -1.820 -5.844 239 HB3 GLU 36 HB1 GLU 36 -6.344 -3.408 -5.093 240 HG2 GLU 36 HG2 GLU 36 -6.531 -2.777 -8.027 241 HG3 GLU 36 HG1 GLU 36 -5.207 -3.585 -7.189 242 HA PRO 37 HA PRO 37 -10.182 -1.187 -2.353 243 HB2 PRO 37 HB2 PRO 37 -11.978 -3.049 -1.533 244 HB3 PRO 37 HB1 PRO 37 -12.339 -1.855 -2.786 245 HG2 PRO 37 HG2 PRO 37 -11.527 -4.722 -3.079 246 HG3 PRO 37 HG1 PRO 37 -12.777 -3.818 -3.954 247 HD2 PRO 37 HD2 PRO 37 -10.331 -4.310 -5.005 248 HD3 PRO 37 HD1 PRO 37 -11.251 -2.839 -5.377 249 H ARG 38 HN ARG 38 -10.529 -2.061 -0.012 250 HA ARG 38 HA ARG 38 -9.249 -4.406 0.847 251 HB2 ARG 38 HB2 ARG 38 -7.225 -3.299 1.898 252 HB3 ARG 38 HB1 ARG 38 -7.168 -3.511 0.154 253 HG2 ARG 38 HG2 ARG 38 -6.428 -1.370 0.301 254 HG3 ARG 38 HG1 ARG 38 -8.162 -1.067 0.176 255 HD2 ARG 38 HD2 ARG 38 -7.009 -1.468 2.884 256 HD3 ARG 38 HD1 ARG 38 -6.665 0.052 2.059 257 HE ARG 38 HE ARG 38 -9.418 -0.463 1.905 258 HH11 ARG 38 HH11 ARG 38 -6.987 0.382 4.261 259 HH12 ARG 38 HH12 ARG 38 -8.098 1.219 5.292 260 HH21 ARG 38 HH21 ARG 38 -10.881 0.638 3.260 261 HH22 ARG 38 HH22 ARG 38 -10.309 1.365 4.724 262 H GLU 39 HN GLU 39 -8.645 -4.202 3.282 263 HA GLU 39 HA GLU 39 -10.799 -2.660 4.548 264 HB2 GLU 39 HB2 GLU 39 -10.275 -5.302 4.764 265 HB3 GLU 39 HB1 GLU 39 -9.326 -4.695 6.115 266 HG2 GLU 39 HG2 GLU 39 -11.687 -3.376 6.451 267 HG3 GLU 39 HG1 GLU 39 -12.219 -4.925 5.798 268 H HIS 40 HN HIS 40 -10.013 -2.510 7.117 269 HA HIS 40 HA HIS 40 -7.669 -0.745 6.963 270 HB2 HIS 40 HB2 HIS 40 -8.585 0.182 9.137 271 HB3 HIS 40 HB1 HIS 40 -9.577 0.464 7.711 272 HD1 HIS 40 HD1 HIS 40 -11.883 -0.642 7.636 273 HD2 HIS 40 HD2 HIS 40 -9.673 -1.628 11.015 274 HE1 HIS 40 HE1 HIS 40 -13.500 -1.780 9.188 275 HE2 HIS 40 HE2 HIS 40 -12.161 -2.291 11.261 276 HA PRO 41 HA PRO 41 -5.325 -3.471 9.524 277 HB2 PRO 41 HB2 PRO 41 -3.648 -1.720 10.732 278 HB3 PRO 41 HB1 PRO 41 -3.504 -2.156 9.025 279 HG2 PRO 41 HG2 PRO 41 -4.758 0.265 10.262 280 HG3 PRO 41 HG1 PRO 41 -3.702 0.154 8.841 281 HD2 PRO 41 HD2 PRO 41 -6.395 0.388 8.647 282 HD3 PRO 41 HD1 PRO 41 -5.423 -0.498 7.456 283 H ILE 42 HN ILE 42 -4.322 -3.327 11.934 284 HA ILE 42 HA ILE 42 -6.593 -2.661 13.690 285 HB ILE 42 HB ILE 42 -6.173 -5.080 13.513 286 HG12 ILE 42 HG12 ILE 42 -5.375 -4.028 16.233 287 HG13 ILE 42 HG11 ILE 42 -7.027 -4.016 15.621 288 HG21 ILE 42 HG21 ILE 42 -4.163 -6.054 13.733 289 HG22 ILE 42 HG22 ILE 42 -3.680 -4.994 15.057 290 HG23 ILE 42 HG23 ILE 42 -3.542 -4.440 13.388 291 HD11 ILE 42 HD11 ILE 42 -7.328 -6.113 16.251 292 HD12 ILE 42 HD12 ILE 42 -5.748 -6.050 17.032 293 HD13 ILE 42 HD13 ILE 42 -5.891 -6.639 15.376 294 H MET 43 HN MET 43 -6.060 -2.053 15.899 295 HA MET 43 HA MET 43 -4.180 0.005 16.045 296 HB2 MET 43 HB2 MET 43 -4.595 -0.052 18.492 297 HB3 MET 43 HB1 MET 43 -6.074 -0.056 17.542 298 HG2 MET 43 HG2 MET 43 -5.685 -2.705 17.842 299 HG3 MET 43 HG1 MET 43 -4.966 -2.103 19.334 300 HE1 MET 43 HE1 MET 43 -9.110 -1.958 17.722 301 HE2 MET 43 HE2 MET 43 -8.711 -3.478 18.522 302 HE3 MET 43 HE3 MET 43 -7.686 -2.871 17.221 303 H GLY 44 HN GLY 44 -2.149 0.184 16.970 304 HA2 GLY 44 HA2 GLY 44 -0.771 -1.695 18.456 305 HA3 GLY 44 HA1 GLY 44 -0.484 -2.121 16.776 306 H GLY 45 HN GLY 45 1.761 -1.633 17.797 307 HA2 GLY 45 HA2 GLY 45 2.345 1.247 17.563 308 HA3 GLY 45 HA1 GLY 45 3.348 0.078 18.409 309 H ILE 46 HN ILE 46 5.081 1.060 17.128 310 HA ILE 46 HA ILE 46 5.096 0.472 14.285 311 HB ILE 46 HB ILE 46 7.396 1.567 15.892 312 HG12 ILE 46 HG12 ILE 46 5.365 2.932 16.290 313 HG13 ILE 46 HG11 ILE 46 6.598 3.809 15.391 314 HG21 ILE 46 HG21 ILE 46 7.519 2.739 13.470 315 HG22 ILE 46 HG22 ILE 46 6.774 1.200 13.038 316 HG23 ILE 46 HG23 ILE 46 8.329 1.224 13.870 317 HD11 ILE 46 HD11 ILE 46 4.306 2.417 14.048 318 HD12 ILE 46 HD12 ILE 46 5.395 3.631 13.378 319 HD13 ILE 46 HD13 ILE 46 4.219 4.086 14.611 320 H TYR 47 HN TYR 47 4.870 -1.896 14.893 321 HA TYR 47 HA TYR 47 7.275 -3.233 14.354 322 HB2 TYR 47 HB2 TYR 47 6.629 -2.848 17.204 323 HB3 TYR 47 HB1 TYR 47 7.004 -4.507 16.751 324 HD1 TYR 47 HD2 TYR 47 9.060 -4.129 14.688 325 HD2 TYR 47 HD1 TYR 47 8.488 -2.091 18.378 326 HE1 TYR 47 HE2 TYR 47 11.462 -3.609 14.766 327 HE2 TYR 47 HE1 TYR 47 10.888 -1.565 18.466 328 HH TYR 47 HH TYR 47 12.898 -1.710 15.918 329 H ASP 48 HN ASP 48 4.082 -3.449 15.842 330 HA ASP 48 HA ASP 48 3.599 -6.168 15.501 331 HB2 ASP 48 HB2 ASP 48 2.175 -4.130 16.542 332 HB3 ASP 48 HB1 ASP 48 1.319 -4.335 15.017 333 H ALA 49 HN ALA 49 2.843 -7.423 13.854 334 HA ALA 49 HA ALA 49 2.236 -6.162 11.284 335 HB1 ALA 49 HB1 ALA 49 4.525 -6.608 10.974 336 HB2 ALA 49 HB2 ALA 49 3.683 -7.932 10.170 337 HB3 ALA 49 HB3 ALA 49 4.408 -8.184 11.757 338 HA PRO 50 HA PRO 50 -0.431 -9.867 12.692 339 HB2 PRO 50 HB2 PRO 50 -2.791 -8.439 12.532 340 HB3 PRO 50 HB1 PRO 50 -1.888 -8.734 14.020 341 HG2 PRO 50 HG2 PRO 50 -1.921 -6.315 12.269 342 HG3 PRO 50 HG1 PRO 50 -1.863 -6.422 14.037 343 HD2 PRO 50 HD2 PRO 50 0.325 -5.865 12.578 344 HD3 PRO 50 HD1 PRO 50 0.413 -6.834 14.064 345 H LEU 51 HN LEU 51 -2.129 -7.474 10.722 346 HA LEU 51 HA LEU 51 -3.026 -7.568 8.636 347 HB2 LEU 51 HB2 LEU 51 -0.400 -8.025 8.320 348 HB3 LEU 51 HB1 LEU 51 -1.022 -9.537 7.687 349 HG LEU 51 HG LEU 51 -1.653 -6.766 6.671 350 HD11 LEU 51 HD11 LEU 51 0.525 -8.337 6.153 351 HD12 LEU 51 HD12 LEU 51 -0.115 -7.090 5.083 352 HD13 LEU 51 HD13 LEU 51 -0.576 -8.776 4.848 353 HD21 LEU 51 HD21 LEU 51 -3.650 -8.022 6.445 354 HD22 LEU 51 HD22 LEU 51 -2.771 -9.455 5.912 355 HD23 LEU 51 HD23 LEU 51 -2.865 -8.038 4.866 356 H ASN 52 HN ASN 52 -4.738 -8.823 9.808 357 HA ASN 52 HA ASN 52 -4.904 -11.616 9.720 358 HB2 ASN 52 HB2 ASN 52 -7.072 -9.511 9.756 359 HB3 ASN 52 HB1 ASN 52 -7.386 -11.235 9.933 360 HD21 ASN 52 HD21 ASN 52 -5.633 -12.190 11.590 361 HD22 ASN 52 HD22 ASN 52 -5.636 -11.371 13.111 362 H ASN 53 HN ASN 53 -5.593 -9.181 7.313 363 HA ASN 53 HA ASN 53 -6.884 -11.062 5.529 364 HB2 ASN 53 HB2 ASN 53 -7.030 -9.153 3.981 365 HB3 ASN 53 HB1 ASN 53 -7.656 -8.741 5.574 366 HD21 ASN 53 HD21 ASN 53 -6.419 -7.397 6.932 367 HD22 ASN 53 HD22 ASN 53 -5.206 -6.349 6.288 368 H GLU 54 HN GLU 54 -4.781 -12.387 5.788 369 HA GLU 54 HA GLU 54 -2.783 -11.528 3.811 370 HB2 GLU 54 HB2 GLU 54 -1.275 -13.137 4.838 371 HB3 GLU 54 HB1 GLU 54 -1.923 -12.049 6.057 372 HG2 GLU 54 HG2 GLU 54 -2.977 -13.694 7.154 373 HG3 GLU 54 HG1 GLU 54 -3.453 -14.521 5.671 374 H ASN 55 HN ASN 55 -5.508 -12.940 3.461 375 HA ASN 55 HA ASN 55 -5.107 -15.563 2.595 376 HB2 ASN 55 HB2 ASN 55 -7.332 -14.541 2.946 377 HB3 ASN 55 HB1 ASN 55 -7.087 -13.544 1.515 378 HD21 ASN 55 HD21 ASN 55 -7.212 -14.470 -0.511 379 HD22 ASN 55 HD22 ASN 55 -7.865 -16.047 -0.773 380 H GLY 56 HN GLY 56 -4.662 -12.494 0.923 381 HA2 GLY 56 HA2 GLY 56 -2.711 -12.760 -0.719 382 HA3 GLY 56 HA1 GLY 56 -3.750 -13.966 -1.463 383 H PHE 57 HN PHE 57 -6.204 -12.774 -1.401 384 HA PHE 57 HA PHE 57 -6.064 -11.011 -3.598 385 HB2 PHE 57 HB2 PHE 57 -8.297 -11.799 -1.735 386 HB3 PHE 57 HB1 PHE 57 -8.543 -10.638 -3.036 387 HD1 PHE 57 HD1 PHE 57 -8.120 -11.368 -5.404 388 HD2 PHE 57 HD2 PHE 57 -8.299 -14.104 -2.149 389 HE1 PHE 57 HE1 PHE 57 -8.500 -13.217 -6.984 390 HE2 PHE 57 HE2 PHE 57 -8.678 -15.957 -3.723 391 HZ PHE 57 HZ PHE 57 -8.778 -15.515 -6.143 392 H ASP 58 HN ASP 58 -6.506 -10.480 -0.140 393 HA ASP 58 HA ASP 58 -7.064 -7.704 -0.327 394 HB2 ASP 58 HB2 ASP 58 -6.386 -9.612 1.850 395 HB3 ASP 58 HB1 ASP 58 -6.113 -7.902 2.171 396 H LYS 59 HN LYS 59 -4.096 -9.491 0.506 397 HA LYS 59 HA LYS 59 -2.437 -7.259 0.822 398 HB2 LYS 59 HB2 LYS 59 -0.595 -8.774 0.705 399 HB3 LYS 59 HB1 LYS 59 -1.911 -9.622 1.503 400 HG2 LYS 59 HG2 LYS 59 -2.401 -10.862 -0.485 401 HG3 LYS 59 HG1 LYS 59 -1.239 -9.915 -1.415 402 HD2 LYS 59 HD2 LYS 59 -0.134 -11.195 0.984 403 HD3 LYS 59 HD1 LYS 59 -0.709 -12.318 -0.250 404 HE2 LYS 59 HE2 LYS 59 0.704 -11.306 -1.909 405 HE3 LYS 59 HE1 LYS 59 1.176 -10.029 -0.789 406 HZ1 LYS 59 HZ1 LYS 59 1.957 -12.871 -0.783 407 HZ2 LYS 59 HZ2 LYS 59 2.030 -11.963 0.641 408 HZ3 LYS 59 HZ3 LYS 59 2.941 -11.497 -0.705 409 H GLU 60 HN GLU 60 -3.303 -9.121 -2.042 410 HA GLU 60 HA GLU 60 -1.452 -7.899 -3.800 411 HB2 GLU 60 HB2 GLU 60 -4.056 -9.345 -4.286 412 HB3 GLU 60 HB1 GLU 60 -3.030 -8.758 -5.589 413 HG2 GLU 60 HG2 GLU 60 -1.718 -10.429 -3.545 414 HG3 GLU 60 HG1 GLU 60 -2.887 -11.235 -4.591 415 H ASP 61 HN ASP 61 -4.929 -7.325 -3.271 416 HA ASP 61 HA ASP 61 -5.215 -5.199 -5.057 417 HB2 ASP 61 HB2 ASP 61 -6.707 -5.684 -2.469 418 HB3 ASP 61 HB1 ASP 61 -7.230 -4.613 -3.765 419 H LEU 62 HN LEU 62 -4.352 -5.201 -1.621 420 HA LEU 62 HA LEU 62 -4.286 -2.418 -1.261 421 HB2 LEU 62 HB2 LEU 62 -4.314 -3.883 0.635 422 HB3 LEU 62 HB1 LEU 62 -2.817 -4.645 0.137 423 HG LEU 62 HG LEU 62 -1.519 -2.787 0.777 424 HD11 LEU 62 HD11 LEU 62 -2.376 -0.623 1.348 425 HD12 LEU 62 HD12 LEU 62 -4.040 -1.189 1.197 426 HD13 LEU 62 HD13 LEU 62 -3.014 -1.074 -0.232 427 HD21 LEU 62 HD21 LEU 62 -2.542 -2.241 3.124 428 HD22 LEU 62 HD22 LEU 62 -1.961 -3.865 2.753 429 HD23 LEU 62 HD23 LEU 62 -3.687 -3.509 2.688 430 H ALA 63 HN ALA 63 -1.617 -4.690 -1.921 431 HA ALA 63 HA ALA 63 0.446 -2.840 -2.086 432 HB1 ALA 63 HB1 ALA 63 1.662 -4.511 -3.362 433 HB2 ALA 63 HB2 ALA 63 0.162 -5.381 -3.687 434 HB3 ALA 63 HB3 ALA 63 0.780 -5.272 -2.038 435 H ARG 64 HN ARG 64 -1.492 -4.168 -4.772 436 HA ARG 64 HA ARG 64 -0.368 -2.552 -6.777 437 HB2 ARG 64 HB2 ARG 64 -1.947 -4.657 -6.898 438 HB3 ARG 64 HB1 ARG 64 -3.219 -3.444 -6.944 439 HG2 ARG 64 HG2 ARG 64 -0.911 -3.634 -8.870 440 HG3 ARG 64 HG1 ARG 64 -2.563 -4.169 -9.181 441 HD2 ARG 64 HD2 ARG 64 -3.034 -1.638 -8.407 442 HD3 ARG 64 HD1 ARG 64 -1.427 -1.444 -9.106 443 HE ARG 64 HE ARG 64 -3.854 -1.817 -10.520 444 HH11 ARG 64 HH11 ARG 64 -0.470 -2.669 -10.597 445 HH12 ARG 64 HH12 ARG 64 -0.429 -2.859 -12.318 446 HH21 ARG 64 HH21 ARG 64 -3.801 -2.067 -12.783 447 HH22 ARG 64 HH22 ARG 64 -2.319 -2.516 -13.559 448 H PHE 65 HN PHE 65 -3.091 -2.056 -4.604 449 HA PHE 65 HA PHE 65 -4.205 0.211 -5.795 450 HB2 PHE 65 HB2 PHE 65 -5.330 -1.020 -4.007 451 HB3 PHE 65 HB1 PHE 65 -4.082 -0.536 -2.865 452 HD1 PHE 65 HD2 PHE 65 -6.412 1.081 -5.296 453 HD2 PHE 65 HD1 PHE 65 -4.608 1.175 -1.442 454 HE1 PHE 65 HE2 PHE 65 -7.709 3.097 -4.742 455 HE2 PHE 65 HE1 PHE 65 -5.903 3.191 -0.881 456 HZ PHE 65 HZ PHE 65 -7.456 4.154 -2.533 457 H ALA 66 HN ALA 66 -1.948 0.091 -3.029 458 HA ALA 66 HA ALA 66 -1.479 2.837 -2.866 459 HB1 ALA 66 HB1 ALA 66 0.094 0.438 -2.005 460 HB2 ALA 66 HB2 ALA 66 -0.781 1.609 -1.020 461 HB3 ALA 66 HB3 ALA 66 0.738 2.066 -1.792 462 H VAL 67 HN VAL 67 0.505 0.336 -4.459 463 HA VAL 67 HA VAL 67 2.485 1.942 -5.510 464 HB VAL 67 HB VAL 67 1.246 -0.452 -6.877 465 HG11 VAL 67 HG11 VAL 67 3.957 0.834 -7.176 466 HG12 VAL 67 HG12 VAL 67 2.671 0.787 -8.382 467 HG13 VAL 67 HG13 VAL 67 3.482 -0.703 -7.899 468 HG21 VAL 67 HG21 VAL 67 2.331 -0.437 -4.385 469 HG22 VAL 67 HG22 VAL 67 3.747 -0.783 -5.378 470 HG23 VAL 67 HG23 VAL 67 2.329 -1.828 -5.470 471 H ARG 68 HN ARG 68 -0.602 1.046 -7.036 472 HA ARG 68 HA ARG 68 -0.206 2.627 -9.354 473 HB2 ARG 68 HB2 ARG 68 -1.759 0.774 -9.387 474 HB3 ARG 68 HB1 ARG 68 -2.722 1.504 -8.111 475 HG2 ARG 68 HG2 ARG 68 -3.496 3.217 -9.548 476 HG3 ARG 68 HG1 ARG 68 -2.311 2.804 -10.789 477 HD2 ARG 68 HD2 ARG 68 -4.113 0.622 -9.981 478 HD3 ARG 68 HD1 ARG 68 -4.888 1.976 -10.802 479 HE ARG 68 HE ARG 68 -2.526 1.016 -12.130 480 HH11 ARG 68 HH11 ARG 68 -5.971 0.597 -11.763 481 HH12 ARG 68 HH12 ARG 68 -6.172 -0.150 -13.312 482 HH21 ARG 68 HH21 ARG 68 -2.788 0.034 -14.169 483 HH22 ARG 68 HH22 ARG 68 -4.365 -0.470 -14.678 484 H GLU 69 HN GLU 69 -1.454 3.289 -6.172 485 HA GLU 69 HA GLU 69 -2.860 5.665 -6.747 486 HB2 GLU 69 HB2 GLU 69 -2.826 4.228 -4.585 487 HB3 GLU 69 HB1 GLU 69 -1.430 5.203 -4.146 488 HG2 GLU 69 HG2 GLU 69 -4.180 6.252 -4.777 489 HG3 GLU 69 HG1 GLU 69 -3.486 6.068 -3.167 490 H TYR 70 HN TYR 70 0.505 5.041 -5.857 491 HA TYR 70 HA TYR 70 1.139 7.876 -6.032 492 HB2 TYR 70 HB2 TYR 70 3.069 7.404 -4.892 493 HB3 TYR 70 HB1 TYR 70 2.100 6.031 -4.375 494 HD1 TYR 70 HD2 TYR 70 4.799 7.099 -6.658 495 HD2 TYR 70 HD1 TYR 70 2.707 3.807 -4.963 496 HE1 TYR 70 HE2 TYR 70 6.520 5.569 -7.521 497 HE2 TYR 70 HE1 TYR 70 4.422 2.267 -5.821 498 HH TYR 70 HH TYR 70 6.807 3.247 -8.082 499 H ASN 71 HN ASN 71 1.206 5.087 -8.026 500 HA ASN 71 HA ASN 71 3.247 6.093 -9.810 501 HB2 ASN 71 HB2 ASN 71 1.553 3.633 -9.688 502 HB3 ASN 71 HB1 ASN 71 2.314 4.071 -11.215 503 HD21 ASN 71 HD21 ASN 71 4.683 4.570 -11.050 504 HD22 ASN 71 HD22 ASN 71 5.628 3.542 -10.032 505 H ASN 72 HN ASN 72 -0.202 6.264 -9.540 506 HA ASN 72 HA ASN 72 -0.595 6.958 -12.317 507 HB2 ASN 72 HB2 ASN 72 -2.881 6.925 -11.885 508 HB3 ASN 72 HB1 ASN 72 -2.263 5.746 -10.735 509 HD21 ASN 72 HD21 ASN 72 -2.264 6.230 -8.549 510 HD22 ASN 72 HD22 ASN 72 -3.171 7.547 -7.894 511 H LYS 73 HN LYS 73 -0.356 8.632 -9.235 512 HA LYS 73 HA LYS 73 -1.321 11.122 -9.877 513 HB2 LYS 73 HB2 LYS 73 0.564 11.959 -8.289 514 HB3 LYS 73 HB1 LYS 73 -0.719 10.935 -7.659 515 HG2 LYS 73 HG2 LYS 73 0.672 9.074 -7.528 516 HG3 LYS 73 HG1 LYS 73 1.876 9.779 -8.606 517 HD2 LYS 73 HD2 LYS 73 2.023 11.610 -6.732 518 HD3 LYS 73 HD1 LYS 73 1.358 10.326 -5.719 519 HE2 LYS 73 HE2 LYS 73 3.204 8.898 -6.182 520 HE3 LYS 73 HE1 LYS 73 3.793 9.968 -7.453 521 HZ1 LYS 73 HZ1 LYS 73 5.153 10.530 -5.720 522 HZ2 LYS 73 HZ2 LYS 73 3.969 10.274 -4.539 523 HZ3 LYS 73 HZ3 LYS 73 3.916 11.664 -5.501 524 H ASN 74 HN ASN 74 1.942 9.878 -10.504 525 HA ASN 74 HA ASN 74 2.271 11.356 -12.856 526 HB2 ASN 74 HB2 ASN 74 4.145 12.856 -11.882 527 HB3 ASN 74 HB1 ASN 74 2.467 13.343 -11.679 528 HD21 ASN 74 HD21 ASN 74 5.030 11.535 -10.039 529 HD22 ASN 74 HD22 ASN 74 4.596 12.031 -8.444 530 H ASN 75 HN ASN 75 3.753 9.692 -10.143 531 HA ASN 75 HA ASN 75 6.304 9.234 -11.050 532 HB2 ASN 75 HB2 ASN 75 4.761 8.288 -8.971 533 HB3 ASN 75 HB1 ASN 75 5.089 6.829 -9.901 534 HD21 ASN 75 HD21 ASN 75 7.106 5.977 -9.910 535 HD22 ASN 75 HD22 ASN 75 8.416 6.593 -8.968 536 H ALA 76 HN ALA 76 7.125 6.972 -11.760 537 HA ALA 76 HA ALA 76 6.346 6.560 -14.416 538 HB1 ALA 76 HB1 ALA 76 7.779 4.527 -12.724 539 HB2 ALA 76 HB2 ALA 76 8.561 5.977 -13.353 540 HB3 ALA 76 HB3 ALA 76 7.901 4.778 -14.465 541 H LEU 77 HN LEU 77 6.073 3.947 -14.951 542 HA LEU 77 HA LEU 77 3.612 3.142 -13.545 543 HB2 LEU 77 HB2 LEU 77 3.890 3.903 -16.240 544 HB3 LEU 77 HB1 LEU 77 3.695 2.161 -16.253 545 HG LEU 77 HG LEU 77 1.536 3.180 -16.503 546 HD11 LEU 77 HD11 LEU 77 2.096 1.880 -13.869 547 HD12 LEU 77 HD12 LEU 77 1.292 1.221 -15.293 548 HD13 LEU 77 HD13 LEU 77 0.465 2.406 -14.283 549 HD21 LEU 77 HD21 LEU 77 1.586 5.318 -15.696 550 HD22 LEU 77 HD22 LEU 77 2.461 4.865 -14.233 551 HD23 LEU 77 HD23 LEU 77 0.739 4.514 -14.375 552 H LEU 78 HN LEU 78 4.745 1.697 -12.224 553 HA LEU 78 HA LEU 78 6.040 -0.561 -13.594 554 HB2 LEU 78 HB2 LEU 78 6.784 -1.032 -11.125 555 HB3 LEU 78 HB1 LEU 78 7.623 0.156 -12.103 556 HG LEU 78 HG LEU 78 6.324 1.952 -11.017 557 HD11 LEU 78 HD11 LEU 78 5.267 1.007 -8.752 558 HD12 LEU 78 HD12 LEU 78 4.966 -0.375 -9.806 559 HD13 LEU 78 HD13 LEU 78 4.335 1.214 -10.235 560 HD21 LEU 78 HD21 LEU 78 7.834 2.110 -9.366 561 HD22 LEU 78 HD22 LEU 78 8.490 0.622 -10.048 562 HD23 LEU 78 HD23 LEU 78 7.389 0.550 -8.673 563 H GLU 79 HN GLU 79 5.874 -2.588 -11.904 564 HA GLU 79 HA GLU 79 3.071 -2.877 -11.101 565 HB2 GLU 79 HB2 GLU 79 4.556 -4.634 -13.043 566 HB3 GLU 79 HB1 GLU 79 3.166 -5.222 -12.141 567 HG2 GLU 79 HG2 GLU 79 2.064 -4.526 -13.973 568 HG3 GLU 79 HG1 GLU 79 2.109 -2.979 -13.129 569 H PHE 80 HN PHE 80 2.792 -3.980 -9.252 570 HA PHE 80 HA PHE 80 5.141 -4.835 -7.812 571 HB2 PHE 80 HB2 PHE 80 3.897 -4.576 -5.930 572 HB3 PHE 80 HB1 PHE 80 2.851 -3.653 -7.001 573 HD1 PHE 80 HD1 PHE 80 0.851 -4.802 -8.018 574 HD2 PHE 80 HD2 PHE 80 3.138 -6.514 -4.865 575 HE1 PHE 80 HE1 PHE 80 -1.015 -6.319 -7.494 576 HE2 PHE 80 HE2 PHE 80 1.278 -8.036 -4.335 577 HZ PHE 80 HZ PHE 80 -0.802 -7.939 -5.653 578 H VAL 81 HN VAL 81 5.504 -6.924 -6.968 579 HA VAL 81 HA VAL 81 4.240 -9.047 -8.558 580 HB VAL 81 HB VAL 81 6.199 -10.440 -7.784 581 HG11 VAL 81 HG11 VAL 81 6.887 -7.973 -9.377 582 HG12 VAL 81 HG12 VAL 81 6.055 -9.392 -10.014 583 HG13 VAL 81 HG13 VAL 81 7.714 -9.530 -9.432 584 HG21 VAL 81 HG21 VAL 81 6.717 -8.885 -5.853 585 HG22 VAL 81 HG22 VAL 81 7.440 -7.802 -7.043 586 HG23 VAL 81 HG23 VAL 81 8.096 -9.422 -6.812 587 H ARG 82 HN ARG 82 5.015 -8.064 -5.270 588 HA ARG 82 HA ARG 82 2.834 -9.285 -4.082 589 HB2 ARG 82 HB2 ARG 82 3.922 -11.186 -2.896 590 HB3 ARG 82 HB1 ARG 82 3.751 -11.431 -4.630 591 HG2 ARG 82 HG2 ARG 82 6.148 -10.475 -4.740 592 HG3 ARG 82 HG1 ARG 82 6.204 -10.900 -3.030 593 HD2 ARG 82 HD2 ARG 82 6.055 -13.158 -3.446 594 HD3 ARG 82 HD1 ARG 82 5.234 -12.926 -4.989 595 HE ARG 82 HE ARG 82 7.808 -11.894 -5.241 596 HH11 ARG 82 HH11 ARG 82 6.274 -14.984 -4.715 597 HH12 ARG 82 HH12 ARG 82 7.539 -15.883 -5.483 598 HH21 ARG 82 HH21 ARG 82 9.473 -13.075 -6.251 599 HH22 ARG 82 HH22 ARG 82 9.356 -14.800 -6.354 600 H VAL 83 HN VAL 83 2.995 -9.344 -1.674 601 HA VAL 83 HA VAL 83 4.622 -7.105 -0.790 602 HB VAL 83 HB VAL 83 3.256 -7.012 1.152 603 HG11 VAL 83 HG11 VAL 83 1.720 -6.039 -0.118 604 HG12 VAL 83 HG12 VAL 83 0.912 -7.600 -0.267 605 HG13 VAL 83 HG13 VAL 83 2.099 -7.102 -1.473 606 HG21 VAL 83 HG21 VAL 83 2.897 -9.053 2.067 607 HG22 VAL 83 HG22 VAL 83 2.682 -9.838 0.502 608 HG23 VAL 83 HG23 VAL 83 1.362 -8.906 1.210 609 H VAL 84 HN VAL 84 6.171 -7.185 0.795 610 HA VAL 84 HA VAL 84 7.001 -9.877 1.656 611 HB VAL 84 HB VAL 84 8.613 -8.873 0.114 612 HG11 VAL 84 HG11 VAL 84 9.646 -6.828 1.879 613 HG12 VAL 84 HG12 VAL 84 7.983 -6.493 1.397 614 HG13 VAL 84 HG13 VAL 84 9.225 -6.736 0.170 615 HG21 VAL 84 HG21 VAL 84 9.385 -10.350 1.934 616 HG22 VAL 84 HG22 VAL 84 9.670 -8.929 2.939 617 HG23 VAL 84 HG23 VAL 84 10.603 -9.164 1.461 618 H LYS 85 HN LYS 85 5.948 -6.805 2.695 619 HA LYS 85 HA LYS 85 6.375 -7.587 5.466 620 HB2 LYS 85 HB2 LYS 85 7.105 -4.784 4.681 621 HB3 LYS 85 HB1 LYS 85 7.517 -5.662 6.147 622 HG2 LYS 85 HG2 LYS 85 8.941 -7.161 4.694 623 HG3 LYS 85 HG1 LYS 85 8.688 -5.985 3.403 624 HD2 LYS 85 HD2 LYS 85 9.655 -4.232 4.815 625 HD3 LYS 85 HD1 LYS 85 9.910 -5.412 6.103 626 HE2 LYS 85 HE2 LYS 85 11.140 -6.650 4.038 627 HE3 LYS 85 HE1 LYS 85 11.417 -4.962 3.613 628 HZ1 LYS 85 HZ1 LYS 85 13.197 -5.893 4.990 629 HZ2 LYS 85 HZ2 LYS 85 12.090 -6.184 6.235 630 HZ3 LYS 85 HZ3 LYS 85 12.423 -4.597 5.756 631 H ALA 86 HN ALA 86 5.052 -6.410 6.972 632 HA ALA 86 HA ALA 86 3.095 -4.539 6.011 633 HB1 ALA 86 HB1 ALA 86 1.232 -6.187 6.906 634 HB2 ALA 86 HB2 ALA 86 2.400 -7.402 6.387 635 HB3 ALA 86 HB3 ALA 86 1.776 -6.228 5.229 636 H LYS 87 HN LYS 87 2.805 -3.148 7.616 637 HA LYS 87 HA LYS 87 2.782 -4.151 10.380 638 HB2 LYS 87 HB2 LYS 87 4.224 -1.686 9.386 639 HB3 LYS 87 HB1 LYS 87 4.018 -2.112 11.079 640 HG2 LYS 87 HG2 LYS 87 6.050 -3.027 10.819 641 HG3 LYS 87 HG1 LYS 87 5.131 -4.381 10.159 642 HD2 LYS 87 HD2 LYS 87 5.405 -3.355 7.894 643 HD3 LYS 87 HD1 LYS 87 6.488 -2.169 8.624 644 HE2 LYS 87 HE2 LYS 87 7.541 -4.502 9.544 645 HE3 LYS 87 HE1 LYS 87 6.943 -4.992 7.959 646 HZ1 LYS 87 HZ1 LYS 87 8.443 -3.707 6.894 647 HZ2 LYS 87 HZ2 LYS 87 9.326 -3.916 8.322 648 HZ3 LYS 87 HZ3 LYS 87 8.440 -2.496 8.077 649 H GLU 88 HN GLU 88 1.548 -2.912 11.863 650 HA GLU 88 HA GLU 88 -0.458 -1.197 10.555 651 HB2 GLU 88 HB2 GLU 88 -0.819 -2.634 13.179 652 HB3 GLU 88 HB1 GLU 88 -2.057 -1.918 12.157 653 HG2 GLU 88 HG2 GLU 88 -0.406 -4.347 11.501 654 HG3 GLU 88 HG1 GLU 88 -2.091 -4.340 12.019 655 H GLN 89 HN GLN 89 -0.757 0.838 11.247 656 HA GLN 89 HA GLN 89 0.536 1.667 13.755 657 HB2 GLN 89 HB2 GLN 89 0.513 3.445 11.331 658 HB3 GLN 89 HB1 GLN 89 1.504 3.573 12.778 659 HG2 GLN 89 HG2 GLN 89 2.179 1.108 11.715 660 HG3 GLN 89 HG1 GLN 89 2.000 2.155 10.308 661 HE21 GLN 89 HE21 GLN 89 4.357 0.915 11.692 662 HE22 GLN 89 HE22 GLN 89 5.447 2.230 11.954 663 H VAL 90 HN VAL 90 -0.369 3.573 14.736 664 HA VAL 90 HA VAL 90 -3.133 4.120 13.865 665 HB VAL 90 HB VAL 90 -2.172 4.147 16.726 666 HG11 VAL 90 HG11 VAL 90 -4.714 3.979 17.072 667 HG12 VAL 90 HG12 VAL 90 -4.833 4.509 15.394 668 HG13 VAL 90 HG13 VAL 90 -4.039 5.535 16.589 669 HG21 VAL 90 HG21 VAL 90 -3.667 1.996 15.232 670 HG22 VAL 90 HG22 VAL 90 -3.439 2.039 16.980 671 HG23 VAL 90 HG23 VAL 90 -2.045 1.877 15.912 672 H VAL 91 HN VAL 91 -3.381 6.138 13.206 673 HA VAL 91 HA VAL 91 -2.425 8.356 14.763 674 HB VAL 91 HB VAL 91 -1.272 9.408 12.736 675 HG11 VAL 91 HG11 VAL 91 0.757 8.831 13.593 676 HG12 VAL 91 HG12 VAL 91 0.362 7.114 13.672 677 HG13 VAL 91 HG13 VAL 91 -0.275 8.222 14.887 678 HG21 VAL 91 HG21 VAL 91 -0.661 8.168 10.929 679 HG22 VAL 91 HG22 VAL 91 -2.142 7.308 11.351 680 HG23 VAL 91 HG23 VAL 91 -0.577 6.665 11.849 681 H SER 92 HN SER 92 -4.410 9.258 14.871 682 HA SER 92 HA SER 92 -6.294 10.367 14.243 683 HB2 SER 92 HB2 SER 92 -4.869 10.756 11.601 684 HB3 SER 92 HB1 SER 92 -6.205 11.719 12.229 685 HG SER 92 HG SER 92 -3.911 12.492 12.502 686 H GLY 93 HN GLY 93 -5.959 7.468 13.682 687 HA2 GLY 93 HA2 GLY 93 -8.314 6.626 12.836 688 HA3 GLY 93 HA1 GLY 93 -7.595 7.075 11.296 689 H MET 94 HN MET 94 -6.519 5.544 10.245 690 HA MET 94 HA MET 94 -5.092 3.481 11.723 691 HB2 MET 94 HB2 MET 94 -7.349 2.902 9.805 692 HB3 MET 94 HB1 MET 94 -6.148 1.702 10.262 693 HG2 MET 94 HG2 MET 94 -7.804 3.155 12.296 694 HG3 MET 94 HG1 MET 94 -8.359 1.680 11.507 695 HE1 MET 94 HE1 MET 94 -6.665 1.665 15.352 696 HE2 MET 94 HE2 MET 94 -7.613 2.841 14.441 697 HE3 MET 94 HE3 MET 94 -5.855 2.976 14.494 698 H MET 95 HN MET 95 -3.123 3.512 10.881 699 HA MET 95 HA MET 95 -2.836 3.955 7.982 700 HB2 MET 95 HB2 MET 95 -1.707 5.398 10.041 701 HB3 MET 95 HB1 MET 95 -0.417 4.287 9.602 702 HG2 MET 95 HG2 MET 95 -0.372 5.079 7.371 703 HG3 MET 95 HG1 MET 95 -1.867 5.986 7.594 704 HE1 MET 95 HE1 MET 95 -1.998 8.178 9.283 705 HE2 MET 95 HE2 MET 95 -1.746 8.374 7.549 706 HE3 MET 95 HE3 MET 95 -0.812 9.341 8.691 707 H HIS 96 HN HIS 96 -1.988 2.368 6.789 708 HA HIS 96 HA HIS 96 -0.766 0.093 8.205 709 HB2 HIS 96 HB2 HIS 96 -2.907 -0.380 7.023 710 HB3 HIS 96 HB1 HIS 96 -2.137 0.082 5.509 711 HD1 HIS 96 HD1 HIS 96 0.276 -1.704 7.479 712 HD2 HIS 96 HD2 HIS 96 -2.899 -2.765 5.018 713 HE1 HIS 96 HE1 HIS 96 0.667 -4.114 6.879 714 HE2 HIS 96 HE2 HIS 96 -1.220 -4.709 5.319 715 H TYR 97 HN TYR 97 1.349 -0.071 7.970 716 HA TYR 97 HA TYR 97 2.620 1.068 5.579 717 HB2 TYR 97 HB2 TYR 97 3.642 0.455 8.346 718 HB3 TYR 97 HB1 TYR 97 4.742 0.745 7.002 719 HD1 TYR 97 HD2 TYR 97 1.573 2.375 8.147 720 HD2 TYR 97 HD1 TYR 97 5.683 2.841 7.151 721 HE1 TYR 97 HE2 TYR 97 1.383 4.797 8.523 722 HE2 TYR 97 HE1 TYR 97 5.504 5.265 7.525 723 HH TYR 97 HH TYR 97 2.903 6.944 7.501 724 H LEU 98 HN LEU 98 2.523 -0.522 4.064 725 HA LEU 98 HA LEU 98 3.712 -3.122 4.788 726 HB2 LEU 98 HB2 LEU 98 2.329 -4.173 3.131 727 HB3 LEU 98 HB1 LEU 98 1.313 -3.241 4.216 728 HG LEU 98 HG LEU 98 2.125 -1.719 1.863 729 HD11 LEU 98 HD11 LEU 98 2.069 -3.876 0.772 730 HD12 LEU 98 HD12 LEU 98 0.665 -2.921 0.294 731 HD13 LEU 98 HD13 LEU 98 0.488 -4.219 1.475 732 HD21 LEU 98 HD21 LEU 98 -0.407 -1.458 1.774 733 HD22 LEU 98 HD22 LEU 98 0.415 -0.840 3.207 734 HD23 LEU 98 HD23 LEU 98 -0.440 -2.381 3.276 735 H THR 99 HN THR 99 5.260 -3.998 3.479 736 HA THR 99 HA THR 99 6.261 -2.255 1.326 737 HB THR 99 HB THR 99 7.980 -4.362 2.550 738 HG1 THR 99 HG1 THR 99 7.180 -1.977 3.825 739 HG21 THR 99 HG21 THR 99 8.533 -2.535 0.695 740 HG22 THR 99 HG22 THR 99 9.728 -3.123 1.851 741 HG23 THR 99 HG23 THR 99 8.903 -1.591 2.138 742 H VAL 100 HN VAL 100 6.498 -3.070 -0.695 743 HA VAL 100 HA VAL 100 6.223 -5.965 -1.067 744 HB VAL 100 HB VAL 100 4.547 -5.809 -2.708 745 HG11 VAL 100 HG11 VAL 100 2.694 -5.019 -1.527 746 HG12 VAL 100 HG12 VAL 100 3.614 -3.718 -0.772 747 HG13 VAL 100 HG13 VAL 100 3.876 -5.387 -0.271 748 HG21 VAL 100 HG21 VAL 100 3.734 -3.203 -3.034 749 HG22 VAL 100 HG22 VAL 100 4.719 -4.126 -4.169 750 HG23 VAL 100 HG23 VAL 100 5.492 -3.066 -2.990 751 H GLU 101 HN GLU 101 6.919 -6.716 -3.189 752 HA GLU 101 HA GLU 101 9.205 -5.177 -4.119 753 HB2 GLU 101 HB2 GLU 101 8.272 -8.004 -4.545 754 HB3 GLU 101 HB1 GLU 101 9.537 -7.307 -5.547 755 HG2 GLU 101 HG2 GLU 101 11.017 -7.111 -3.766 756 HG3 GLU 101 HG1 GLU 101 9.735 -7.248 -2.564 757 H VAL 102 HN VAL 102 9.292 -4.097 -5.992 758 HA VAL 102 HA VAL 102 7.037 -4.423 -7.863 759 HB VAL 102 HB VAL 102 8.596 -1.881 -7.420 760 HG11 VAL 102 HG11 VAL 102 7.664 -1.480 -9.430 761 HG12 VAL 102 HG12 VAL 102 6.223 -1.149 -8.468 762 HG13 VAL 102 HG13 VAL 102 6.433 -2.726 -9.228 763 HG21 VAL 102 HG21 VAL 102 6.121 -2.921 -6.108 764 HG22 VAL 102 HG22 VAL 102 6.313 -1.188 -6.375 765 HG23 VAL 102 HG23 VAL 102 7.492 -2.066 -5.400 766 H ASN 103 HN ASN 103 7.446 -4.221 -10.078 767 HA ASN 103 HA ASN 103 10.280 -4.370 -10.861 768 HB2 ASN 103 HB2 ASN 103 9.233 -6.608 -10.936 769 HB3 ASN 103 HB1 ASN 103 8.006 -5.986 -12.036 770 HD21 ASN 103 HD21 ASN 103 11.241 -7.088 -11.692 771 HD22 ASN 103 HD22 ASN 103 11.665 -7.047 -13.367 772 H ASP 104 HN ASP 104 10.838 -3.421 -12.827 773 HA ASP 104 HA ASP 104 8.779 -2.173 -14.447 774 HB2 ASP 104 HB2 ASP 104 9.587 -0.643 -12.438 775 HB3 ASP 104 HB1 ASP 104 10.938 -0.331 -13.524 776 H ALA 105 HN ALA 105 9.341 -2.829 -16.412 777 HA ALA 105 HA ALA 105 10.573 -3.366 -18.252 778 HB1 ALA 105 HB1 ALA 105 12.437 -1.772 -18.776 779 HB2 ALA 105 HB2 ALA 105 12.144 -1.020 -17.207 780 HB3 ALA 105 HB3 ALA 105 10.880 -1.015 -18.437 781 H GLY 106 HN GLY 106 11.217 -4.747 -15.734 782 HA2 GLY 106 HA2 GLY 106 12.705 -6.645 -15.700 783 HA3 GLY 106 HA1 GLY 106 13.916 -5.652 -16.497 784 H LYS 107 HN LYS 107 13.310 -3.363 -14.688 785 HA LYS 107 HA LYS 107 15.243 -3.950 -12.698 786 HB2 LYS 107 HB2 LYS 107 13.499 -1.626 -13.361 787 HB3 LYS 107 HB1 LYS 107 14.218 -1.682 -11.758 788 HG2 LYS 107 HG2 LYS 107 16.043 -2.192 -14.017 789 HG3 LYS 107 HG1 LYS 107 15.403 -0.553 -13.877 790 HD2 LYS 107 HD2 LYS 107 16.423 -1.824 -11.401 791 HD3 LYS 107 HD1 LYS 107 17.616 -1.353 -12.614 792 HE2 LYS 107 HE2 LYS 107 15.514 0.622 -11.927 793 HE3 LYS 107 HE1 LYS 107 16.758 0.312 -10.717 794 HZ1 LYS 107 HZ1 LYS 107 18.417 0.748 -12.513 795 HZ2 LYS 107 HZ2 LYS 107 17.502 2.095 -12.057 796 HZ3 LYS 107 HZ3 LYS 107 17.144 1.277 -13.493 797 H LYS 108 HN LYS 108 14.849 -5.298 -11.070 798 HA LYS 108 HA LYS 108 12.200 -5.256 -9.797 799 HB2 LYS 108 HB2 LYS 108 12.916 -7.436 -10.651 800 HB3 LYS 108 HB1 LYS 108 14.385 -7.345 -9.688 801 HG2 LYS 108 HG2 LYS 108 13.235 -8.545 -8.200 802 HG3 LYS 108 HG1 LYS 108 12.471 -7.009 -7.786 803 HD2 LYS 108 HD2 LYS 108 10.898 -7.708 -9.821 804 HD3 LYS 108 HD1 LYS 108 11.403 -9.319 -9.308 805 HE2 LYS 108 HE2 LYS 108 10.403 -7.319 -7.317 806 HE3 LYS 108 HE1 LYS 108 9.273 -8.277 -8.273 807 HZ1 LYS 108 HZ1 LYS 108 9.922 -9.200 -6.033 808 HZ2 LYS 108 HZ2 LYS 108 11.448 -9.514 -6.691 809 HZ3 LYS 108 HZ3 LYS 108 10.077 -10.259 -7.344 810 H LYS 109 HN LYS 109 11.957 -4.578 -7.750 811 HA LYS 109 HA LYS 109 14.150 -4.587 -5.881 812 HB2 LYS 109 HB2 LYS 109 13.357 -2.138 -7.310 813 HB3 LYS 109 HB1 LYS 109 13.455 -1.967 -5.562 814 HG2 LYS 109 HG2 LYS 109 15.699 -2.164 -5.531 815 HG3 LYS 109 HG1 LYS 109 15.724 -3.338 -6.848 816 HD2 LYS 109 HD2 LYS 109 16.578 -1.613 -8.024 817 HD3 LYS 109 HD1 LYS 109 14.886 -1.136 -8.170 818 HE2 LYS 109 HE2 LYS 109 15.892 0.818 -7.447 819 HE3 LYS 109 HE1 LYS 109 15.303 0.116 -5.941 820 HZ1 LYS 109 HZ1 LYS 109 18.082 -0.004 -6.980 821 HZ2 LYS 109 HZ2 LYS 109 17.543 -0.812 -5.596 822 HZ3 LYS 109 HZ3 LYS 109 17.539 0.879 -5.642 823 H LEU 110 HN LEU 110 13.376 -3.276 -3.818 824 HA LEU 110 HA LEU 110 10.579 -4.056 -3.322 825 HB2 LEU 110 HB2 LEU 110 11.957 -5.500 -2.048 826 HB3 LEU 110 HB1 LEU 110 13.006 -4.187 -1.551 827 HG LEU 110 HG LEU 110 11.351 -3.322 -0.050 828 HD11 LEU 110 HD11 LEU 110 9.534 -5.216 -1.475 829 HD12 LEU 110 HD12 LEU 110 9.294 -3.516 -1.071 830 HD13 LEU 110 HD13 LEU 110 9.189 -4.745 0.189 831 HD21 LEU 110 HD21 LEU 110 11.386 -4.982 1.564 832 HD22 LEU 110 HD22 LEU 110 12.714 -5.453 0.503 833 HD23 LEU 110 HD23 LEU 110 11.159 -6.276 0.387 834 H TYR 111 HN TYR 111 9.248 -2.430 -2.904 835 HA TYR 111 HA TYR 111 10.373 0.046 -1.770 836 HB2 TYR 111 HB2 TYR 111 7.983 -0.083 -3.609 837 HB3 TYR 111 HB1 TYR 111 8.867 1.348 -3.090 838 HD1 TYR 111 HD1 TYR 111 11.674 0.176 -3.505 839 HD2 TYR 111 HD2 TYR 111 8.192 0.223 -5.955 840 HE1 TYR 111 HE1 TYR 111 13.088 0.026 -5.510 841 HE2 TYR 111 HE2 TYR 111 9.599 0.071 -7.965 842 HH TYR 111 HH TYR 111 12.067 0.723 -8.539 843 H GLU 112 HN GLU 112 9.209 1.105 -0.193 844 HA GLU 112 HA GLU 112 7.177 -0.520 1.136 845 HB2 GLU 112 HB2 GLU 112 9.286 0.540 2.256 846 HB3 GLU 112 HB1 GLU 112 8.318 2.008 2.272 847 HG2 GLU 112 HG2 GLU 112 6.658 -0.009 3.276 848 HG3 GLU 112 HG1 GLU 112 8.233 -0.255 4.030 849 H ALA 113 HN ALA 113 5.122 0.165 1.551 850 HA ALA 113 HA ALA 113 4.331 2.806 0.521 851 HB1 ALA 113 HB1 ALA 113 3.784 0.583 -0.875 852 HB2 ALA 113 HB2 ALA 113 2.720 1.990 -0.845 853 HB3 ALA 113 HB3 ALA 113 2.383 0.607 0.197 854 H LYS 114 HN LYS 114 3.179 3.967 1.935 855 HA LYS 114 HA LYS 114 1.917 2.531 4.175 856 HB2 LYS 114 HB2 LYS 114 2.272 4.563 5.530 857 HB3 LYS 114 HB1 LYS 114 3.779 3.850 4.972 858 HG2 LYS 114 HG2 LYS 114 3.470 5.560 3.008 859 HG3 LYS 114 HG1 LYS 114 2.488 6.409 4.201 860 HD2 LYS 114 HD2 LYS 114 4.706 7.260 4.384 861 HD3 LYS 114 HD1 LYS 114 4.430 6.224 5.783 862 HE2 LYS 114 HE2 LYS 114 6.111 4.881 5.214 863 HE3 LYS 114 HE1 LYS 114 5.497 4.711 3.570 864 HZ1 LYS 114 HZ1 LYS 114 6.892 6.275 2.797 865 HZ2 LYS 114 HZ2 LYS 114 7.801 5.896 4.171 866 HZ3 LYS 114 HZ3 LYS 114 6.778 7.243 4.180 867 H VAL 115 HN VAL 115 -0.209 2.551 4.104 868 HA VAL 115 HA VAL 115 -1.571 4.768 2.733 869 HB VAL 115 HB VAL 115 -2.737 2.073 3.433 870 HG11 VAL 115 HG11 VAL 115 -3.667 4.212 1.521 871 HG12 VAL 115 HG12 VAL 115 -4.359 3.883 3.109 872 HG13 VAL 115 HG13 VAL 115 -4.467 2.672 1.832 873 HG21 VAL 115 HG21 VAL 115 -1.386 3.014 0.912 874 HG22 VAL 115 HG22 VAL 115 -2.464 1.619 0.967 875 HG23 VAL 115 HG23 VAL 115 -0.974 1.620 1.911 876 H TRP 116 HN TRP 116 -3.402 5.740 3.677 877 HA TRP 116 HA TRP 116 -3.688 5.280 6.574 878 HB2 TRP 116 HB2 TRP 116 -2.476 7.381 6.090 879 HB3 TRP 116 HB1 TRP 116 -3.848 7.939 5.141 880 HD1 TRP 116 HD1 TRP 116 -3.751 6.395 8.708 881 HE1 TRP 116 HE1 TRP 116 -4.997 7.999 10.290 882 HE3 TRP 116 HE3 TRP 116 -4.866 10.113 5.381 883 HZ2 TRP 116 HZ2 TRP 116 -6.283 10.508 10.145 884 HZ3 TRP 116 HZ3 TRP 116 -6.108 12.080 6.183 885 HH2 TRP 116 HH2 TRP 116 -6.802 12.272 8.516 886 H GLU 117 HN GLU 117 -5.730 5.345 7.434 887 HA GLU 117 HA GLU 117 -7.995 6.086 5.788 888 HB2 GLU 117 HB2 GLU 117 -7.556 3.743 5.139 889 HB3 GLU 117 HB1 GLU 117 -7.702 3.261 6.823 890 HG2 GLU 117 HG2 GLU 117 -9.998 4.766 5.846 891 HG3 GLU 117 HG1 GLU 117 -9.717 3.258 4.976 892 H GLN 118 HN GLN 118 -9.384 7.137 7.051 893 HA GLN 118 HA GLN 118 -9.245 6.721 9.945 894 HB2 GLN 118 HB2 GLN 118 -10.793 8.924 8.625 895 HB3 GLN 118 HB1 GLN 118 -10.056 8.888 10.218 896 HG2 GLN 118 HG2 GLN 118 -8.591 10.257 9.165 897 HG3 GLN 118 HG1 GLN 118 -7.837 8.703 8.808 898 HE21 GLN 118 HE21 GLN 118 -7.208 8.499 6.795 899 HE22 GLN 118 HE22 GLN 118 -7.944 9.225 5.411 900 H VAL 119 HN VAL 119 -11.460 7.189 11.050 901 HA VAL 119 HA VAL 119 -13.496 5.549 9.686 902 HB VAL 119 HB VAL 119 -12.563 4.441 11.669 903 HG11 VAL 119 HG11 VAL 119 -13.649 6.792 13.214 904 HG12 VAL 119 HG12 VAL 119 -11.942 6.460 12.920 905 HG13 VAL 119 HG13 VAL 119 -12.902 5.348 13.896 906 HG21 VAL 119 HG21 VAL 119 -15.416 5.377 11.944 907 HG22 VAL 119 HG22 VAL 119 -14.711 4.045 12.860 908 HG23 VAL 119 HG23 VAL 119 -14.841 3.936 11.105 909 H TRP 120 HN TRP 120 -12.919 8.353 11.741 910 HA TRP 120 HA TRP 120 -15.704 9.124 11.748 911 HB2 TRP 120 HB2 TRP 120 -14.861 11.145 12.951 912 HB3 TRP 120 HB1 TRP 120 -14.408 9.626 13.718 913 HD1 TRP 120 HD1 TRP 120 -12.893 12.541 11.735 914 HE1 TRP 120 HE1 TRP 120 -10.344 12.535 12.097 915 HE3 TRP 120 HE3 TRP 120 -12.448 8.145 14.308 916 HZ2 TRP 120 HZ2 TRP 120 -8.403 10.884 13.311 917 HZ3 TRP 120 HZ3 TRP 120 -10.210 7.424 15.033 918 HH2 TRP 120 HH2 TRP 120 -8.230 8.766 14.542 919 H MET 121 HN MET 121 -12.937 9.672 9.780 920 HA MET 121 HA MET 121 -14.140 12.028 8.526 921 HB2 MET 121 HB2 MET 121 -11.754 12.148 9.101 922 HB3 MET 121 HB1 MET 121 -11.437 10.742 8.095 923 HG2 MET 121 HG2 MET 121 -11.025 12.136 6.430 924 HG3 MET 121 HG1 MET 121 -12.747 12.511 6.409 925 HE1 MET 121 HE1 MET 121 -9.177 13.856 7.018 926 HE2 MET 121 HE2 MET 121 -9.650 15.524 6.695 927 HE3 MET 121 HE3 MET 121 -10.080 14.249 5.555 928 H ASN 122 HN ASN 122 -13.570 8.654 8.026 929 HA ASN 122 HA ASN 122 -14.191 7.209 6.394 930 HB2 ASN 122 HB2 ASN 122 -16.037 9.511 5.960 931 HB3 ASN 122 HB1 ASN 122 -15.957 8.270 4.713 932 HD21 ASN 122 HD21 ASN 122 -15.881 8.236 8.262 933 HD22 ASN 122 HD22 ASN 122 -17.159 7.089 8.447 934 H PHE 123 HN PHE 123 -11.803 8.493 5.993 935 HA PHE 123 HA PHE 123 -11.743 8.738 3.062 936 HB2 PHE 123 HB2 PHE 123 -11.273 10.845 4.759 937 HB3 PHE 123 HB1 PHE 123 -9.647 10.233 4.475 938 HD1 PHE 123 HD2 PHE 123 -9.430 9.500 1.803 939 HD2 PHE 123 HD1 PHE 123 -11.797 12.634 3.441 940 HE1 PHE 123 HE2 PHE 123 -9.367 10.672 -0.360 941 HE2 PHE 123 HE1 PHE 123 -11.740 13.812 1.282 942 HZ PHE 123 HZ PHE 123 -10.523 12.831 -0.622 943 H ARG 124 HN ARG 124 -10.143 7.648 2.034 944 HA ARG 124 HA ARG 124 -7.952 6.506 3.586 945 HB2 ARG 124 HB2 ARG 124 -9.753 4.820 3.638 946 HB3 ARG 124 HB1 ARG 124 -9.799 4.824 1.882 947 HG2 ARG 124 HG2 ARG 124 -7.181 4.276 3.134 948 HG3 ARG 124 HG1 ARG 124 -8.424 3.036 3.305 949 HD2 ARG 124 HD2 ARG 124 -7.744 4.264 0.648 950 HD3 ARG 124 HD1 ARG 124 -6.869 2.876 1.288 951 HE ARG 124 HE ARG 124 -8.803 1.567 1.053 952 HH11 ARG 124 HH11 ARG 124 -9.317 4.848 -0.044 953 HH12 ARG 124 HH12 ARG 124 -10.751 4.453 -0.928 954 HH21 ARG 124 HH21 ARG 124 -10.687 1.059 -0.110 955 HH22 ARG 124 HH22 ARG 124 -11.529 2.308 -0.966 956 H GLN 125 HN GLN 125 -6.096 6.706 2.511 957 HA GLN 125 HA GLN 125 -5.912 6.311 -0.321 958 HB2 GLN 125 HB2 GLN 125 -5.162 8.541 -0.928 959 HB3 GLN 125 HB1 GLN 125 -6.785 8.614 -0.256 960 HG2 GLN 125 HG2 GLN 125 -5.220 8.996 1.954 961 HG3 GLN 125 HG1 GLN 125 -4.304 9.814 0.690 962 HE21 GLN 125 HE21 GLN 125 -5.218 11.351 2.639 963 HE22 GLN 125 HE22 GLN 125 -6.569 12.298 2.126 964 H LEU 126 HN LEU 126 -3.618 6.899 -1.094 965 HA LEU 126 HA LEU 126 -1.773 5.631 0.702 966 HB2 LEU 126 HB2 LEU 126 -1.619 5.125 -1.638 967 HB3 LEU 126 HB1 LEU 126 -1.459 6.821 -2.050 968 HG LEU 126 HG LEU 126 0.633 5.832 -0.242 969 HD11 LEU 126 HD11 LEU 126 1.664 4.302 -1.567 970 HD12 LEU 126 HD12 LEU 126 0.994 4.972 -3.055 971 HD13 LEU 126 HD13 LEU 126 -0.007 3.962 -2.014 972 HD21 LEU 126 HD21 LEU 126 0.901 7.180 -2.913 973 HD22 LEU 126 HD22 LEU 126 2.020 7.207 -1.551 974 HD23 LEU 126 HD23 LEU 126 0.483 8.065 -1.447 975 H GLN 127 HN GLN 127 -0.104 6.522 1.829 976 HA GLN 127 HA GLN 127 -0.154 9.429 2.103 977 HB2 GLN 127 HB2 GLN 127 0.519 7.169 3.849 978 HB3 GLN 127 HB1 GLN 127 1.632 8.522 3.982 979 HG2 GLN 127 HG2 GLN 127 -0.314 8.509 5.579 980 HG3 GLN 127 HG1 GLN 127 -0.068 9.993 4.660 981 HE21 GLN 127 HE21 GLN 127 -1.502 6.997 3.498 982 HE22 GLN 127 HE22 GLN 127 -3.075 7.647 3.208 983 H GLU 128 HN GLU 128 2.406 6.933 2.047 984 HA GLU 128 HA GLU 128 3.921 8.579 0.180 985 HB2 GLU 128 HB2 GLU 128 5.377 7.551 2.585 986 HB3 GLU 128 HB1 GLU 128 5.821 8.851 1.490 987 HG2 GLU 128 HG2 GLU 128 3.477 9.046 3.356 988 HG3 GLU 128 HG1 GLU 128 5.112 9.512 3.824 989 H PHE 129 HN PHE 129 5.709 7.475 -0.799 990 HA PHE 129 HA PHE 129 5.696 4.555 -0.512 991 HB2 PHE 129 HB2 PHE 129 4.298 5.541 -2.509 992 HB3 PHE 129 HB1 PHE 129 5.880 5.767 -3.246 993 HD1 PHE 129 HD2 PHE 129 7.233 3.867 -3.898 994 HD2 PHE 129 HD1 PHE 129 3.392 3.336 -2.144 995 HE1 PHE 129 HE2 PHE 129 7.223 1.521 -4.639 996 HE2 PHE 129 HE1 PHE 129 3.376 0.988 -2.880 997 HZ PHE 129 HZ PHE 129 5.294 0.078 -4.130 998 H THR 130 HN THR 130 7.703 4.148 0.183 999 HA THR 130 HA THR 130 9.938 5.698 -0.905 1000 HB THR 130 HB THR 130 11.215 4.970 0.967 1001 HG1 THR 130 HG1 THR 130 10.872 3.133 1.900 1002 HG21 THR 130 HG21 THR 130 9.241 6.583 1.408 1003 HG22 THR 130 HG22 THR 130 10.104 5.867 2.769 1004 HG23 THR 130 HG23 THR 130 8.545 5.211 2.270 1005 H TYR 131 HN TYR 131 11.813 4.682 -1.726 1006 HA TYR 131 HA TYR 131 11.296 1.997 -2.813 1007 HB2 TYR 131 HB2 TYR 131 12.940 2.597 -4.573 1008 HB3 TYR 131 HB1 TYR 131 11.548 3.675 -4.546 1009 HD1 TYR 131 HD2 TYR 131 11.788 5.968 -3.600 1010 HD2 TYR 131 HD1 TYR 131 15.139 3.412 -4.176 1011 HE1 TYR 131 HE2 TYR 131 13.289 7.908 -3.427 1012 HE2 TYR 131 HE1 TYR 131 16.650 5.344 -4.004 1013 HH TYR 131 HH TYR 131 16.505 7.700 -2.870 1014 H LEU 132 HN LEU 132 12.288 0.469 -1.672 1015 HA LEU 132 HA LEU 132 14.786 1.051 -0.300 1016 HB2 LEU 132 HB2 LEU 132 13.506 -1.643 -0.255 1017 HB3 LEU 132 HB1 LEU 132 14.401 -0.816 1.005 1018 HG LEU 132 HG LEU 132 11.557 -0.282 0.152 1019 HD11 LEU 132 HD11 LEU 132 11.037 -0.942 2.447 1020 HD12 LEU 132 HD12 LEU 132 12.744 -1.273 2.739 1021 HD13 LEU 132 HD13 LEU 132 11.846 -2.239 1.568 1022 HD21 LEU 132 HD21 LEU 132 13.462 1.318 1.786 1023 HD22 LEU 132 HD22 LEU 132 11.770 1.252 2.280 1024 HD23 LEU 132 HD23 LEU 132 12.199 1.851 0.677 1025 H GLY 133 HN GLY 133 16.122 -1.283 -0.268 1026 HA2 GLY 133 HA2 GLY 133 16.989 -1.525 -3.066 1027 HA3 GLY 133 HA1 GLY 133 17.969 -1.896 -1.656 1028 H ASP 134 HN ASP 134 15.319 -3.000 -3.674 1029 HA ASP 134 HA ASP 134 14.337 -5.033 -3.971 1030 HB2 ASP 134 HB2 ASP 134 15.852 -6.837 -4.432 1031 HB3 ASP 134 HB1 ASP 134 16.606 -5.343 -4.975 1032 H ALA 135 HN ALA 135 14.425 -7.474 -3.034 1033 HA ALA 135 HA ALA 135 14.248 -7.222 -0.101 1034 HB1 ALA 135 HB1 ALA 135 12.019 -7.270 -1.120 1035 HB2 ALA 135 HB2 ALA 135 12.316 -8.701 -0.132 1036 HB3 ALA 135 HB3 ALA 135 12.408 -8.809 -1.890 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 12.910 3.671 16.952 2 H2 MET 1 HT2 MET 1 13.648 2.137 17.164 3 H3 MET 1 HT3 MET 1 12.360 2.620 18.189 4 HA MET 1 HA MET 1 11.689 1.030 16.518 5 HB2 MET 1 HB2 MET 1 10.549 3.563 17.207 6 HB3 MET 1 HB1 MET 1 10.113 3.190 15.545 7 HG2 MET 1 HG2 MET 1 8.445 2.405 17.153 8 HG3 MET 1 HG1 MET 1 9.155 1.086 16.223 9 HE1 MET 1 HE1 MET 1 7.517 0.357 18.804 10 HE2 MET 1 HE2 MET 1 7.829 1.973 19.437 11 HE3 MET 1 HE3 MET 1 8.342 0.555 20.350 12 H ALA 2 HN ALA 2 10.491 1.566 14.173 13 HA ALA 2 HA ALA 2 12.554 1.362 12.295 14 HB1 ALA 2 HB1 ALA 2 10.491 2.032 10.720 15 HB2 ALA 2 HB2 ALA 2 9.613 1.611 12.190 16 HB3 ALA 2 HB3 ALA 2 10.681 0.430 11.433 17 H ASP 3 HN ASP 3 10.797 4.131 13.498 18 HA ASP 3 HA ASP 3 11.056 6.370 13.198 19 HB2 ASP 3 HB2 ASP 3 13.736 5.706 11.971 20 HB3 ASP 3 HB1 ASP 3 13.257 7.211 12.749 21 H GLU 4 HN GLU 4 9.834 4.765 11.106 22 HA GLU 4 HA GLU 4 10.629 6.091 8.635 23 HB2 GLU 4 HB2 GLU 4 9.799 3.560 9.085 24 HB3 GLU 4 HB1 GLU 4 8.264 4.309 8.667 25 HG2 GLU 4 HG2 GLU 4 8.798 4.485 6.508 26 HG3 GLU 4 HG1 GLU 4 10.448 5.001 6.856 27 H GLN 5 HN GLN 5 9.740 7.964 10.330 28 HA GLN 5 HA GLN 5 8.285 9.699 10.537 29 HB2 GLN 5 HB2 GLN 5 6.996 8.685 8.004 30 HB3 GLN 5 HB1 GLN 5 6.981 10.328 8.630 31 HG2 GLN 5 HG2 GLN 5 9.482 8.906 7.762 32 HG3 GLN 5 HG1 GLN 5 8.515 9.925 6.697 33 HE21 GLN 5 HE21 GLN 5 11.238 9.944 8.348 34 HE22 GLN 5 HE22 GLN 5 11.333 11.601 8.828 35 HA PRO 6 HA PRO 6 5.216 6.522 12.270 36 HB2 PRO 6 HB2 PRO 6 5.801 8.248 14.626 37 HB3 PRO 6 HB1 PRO 6 5.613 6.493 14.535 38 HG2 PRO 6 HG2 PRO 6 8.026 7.588 14.796 39 HG3 PRO 6 HG1 PRO 6 7.776 6.169 13.762 40 HD2 PRO 6 HD2 PRO 6 8.159 9.030 12.998 41 HD3 PRO 6 HD1 PRO 6 8.731 7.558 12.187 42 H LYS 7 HN LYS 7 5.413 9.863 13.515 43 HA LYS 7 HA LYS 7 2.592 10.216 12.739 44 HB2 LYS 7 HB2 LYS 7 3.165 10.242 15.216 45 HB3 LYS 7 HB1 LYS 7 4.026 11.743 14.908 46 HG2 LYS 7 HG2 LYS 7 1.668 12.352 13.792 47 HG3 LYS 7 HG1 LYS 7 1.130 11.205 15.020 48 HD2 LYS 7 HD2 LYS 7 1.062 13.162 16.216 49 HD3 LYS 7 HD1 LYS 7 2.705 12.626 16.573 50 HE2 LYS 7 HE2 LYS 7 3.523 14.054 14.723 51 HE3 LYS 7 HE1 LYS 7 1.878 14.645 14.491 52 HZ1 LYS 7 HZ1 LYS 7 3.438 16.041 15.903 53 HZ2 LYS 7 HZ2 LYS 7 3.246 14.864 17.102 54 HZ3 LYS 7 HZ3 LYS 7 1.903 15.725 16.541 55 H LYS 8 HN LYS 8 2.130 11.757 11.307 56 HA LYS 8 HA LYS 8 3.398 14.250 11.115 57 HB2 LYS 8 HB2 LYS 8 5.039 12.338 10.085 58 HB3 LYS 8 HB1 LYS 8 4.132 12.803 8.652 59 HG2 LYS 8 HG2 LYS 8 5.077 14.850 8.548 60 HG3 LYS 8 HG1 LYS 8 5.191 15.008 10.302 61 HD2 LYS 8 HD2 LYS 8 6.994 13.155 10.101 62 HD3 LYS 8 HD1 LYS 8 7.045 13.624 8.400 63 HE2 LYS 8 HE2 LYS 8 7.434 15.978 9.146 64 HE3 LYS 8 HE1 LYS 8 7.574 15.373 10.797 65 HZ1 LYS 8 HZ1 LYS 8 9.576 14.417 10.376 66 HZ2 LYS 8 HZ2 LYS 8 9.666 15.683 9.259 67 HZ3 LYS 8 HZ3 LYS 8 9.243 14.129 8.742 68 HA PRO 9 HA PRO 9 -0.279 15.250 8.912 69 HB2 PRO 9 HB2 PRO 9 1.486 16.807 7.080 70 HB3 PRO 9 HB1 PRO 9 0.037 17.320 7.952 71 HG2 PRO 9 HG2 PRO 9 2.451 18.051 8.795 72 HG3 PRO 9 HG1 PRO 9 1.180 17.610 9.950 73 HD2 PRO 9 HD2 PRO 9 3.569 16.054 9.071 74 HD3 PRO 9 HD1 PRO 9 2.784 16.117 10.662 75 H VAL 10 HN VAL 10 -1.248 15.187 6.711 76 HA VAL 10 HA VAL 10 0.189 13.369 4.898 77 HB VAL 10 HB VAL 10 -1.724 12.015 4.537 78 HG11 VAL 10 HG11 VAL 10 -1.836 10.887 6.533 79 HG12 VAL 10 HG12 VAL 10 -1.933 12.366 7.489 80 HG13 VAL 10 HG13 VAL 10 -0.394 11.871 6.784 81 HG21 VAL 10 HG21 VAL 10 -3.204 14.155 6.022 82 HG22 VAL 10 HG22 VAL 10 -3.852 12.519 5.905 83 HG23 VAL 10 HG23 VAL 10 -3.547 13.453 4.441 84 HA PRO 11 HA PRO 11 -1.064 16.125 1.690 85 HB2 PRO 11 HB2 PRO 11 -1.177 14.487 -0.448 86 HB3 PRO 11 HB1 PRO 11 0.351 14.904 0.338 87 HG2 PRO 11 HG2 PRO 11 -1.313 12.432 0.622 88 HG3 PRO 11 HG1 PRO 11 0.448 12.585 0.471 89 HD2 PRO 11 HD2 PRO 11 -0.827 12.206 2.854 90 HD3 PRO 11 HD1 PRO 11 0.720 13.061 2.701 91 H ALA 12 HN ALA 12 -2.624 15.859 -0.463 92 HA ALA 12 HA ALA 12 -5.228 14.897 0.512 93 HB1 ALA 12 HB1 ALA 12 -4.717 17.549 -0.831 94 HB2 ALA 12 HB2 ALA 12 -5.151 17.301 0.861 95 HB3 ALA 12 HB3 ALA 12 -6.302 16.899 -0.413 96 H ALA 13 HN ALA 13 -6.056 13.469 -0.852 97 HA ALA 13 HA ALA 13 -6.353 13.905 -3.616 98 HB1 ALA 13 HB1 ALA 13 -4.456 11.648 -3.225 99 HB2 ALA 13 HB2 ALA 13 -3.815 13.291 -3.245 100 HB3 ALA 13 HB3 ALA 13 -4.714 12.678 -4.633 101 H GLU 14 HN GLU 14 -7.333 12.048 -4.727 102 HA GLU 14 HA GLU 14 -8.024 9.658 -3.426 103 HB2 GLU 14 HB2 GLU 14 -9.328 11.255 -2.005 104 HB3 GLU 14 HB1 GLU 14 -10.252 11.699 -3.433 105 HG2 GLU 14 HG2 GLU 14 -11.406 10.072 -1.991 106 HG3 GLU 14 HG1 GLU 14 -11.129 9.476 -3.627 107 H GLU 15 HN GLU 15 -7.531 8.852 -5.470 108 HA GLU 15 HA GLU 15 -9.685 8.501 -7.233 109 HB2 GLU 15 HB2 GLU 15 -8.807 9.709 -9.214 110 HB3 GLU 15 HB1 GLU 15 -9.305 10.788 -7.918 111 HG2 GLU 15 HG2 GLU 15 -7.341 11.779 -8.289 112 HG3 GLU 15 HG1 GLU 15 -6.684 10.454 -7.329 113 H ALA 16 HN ALA 16 -9.017 7.333 -9.249 114 HA ALA 16 HA ALA 16 -6.398 6.031 -8.990 115 HB1 ALA 16 HB1 ALA 16 -7.622 4.359 -8.005 116 HB2 ALA 16 HB2 ALA 16 -7.731 3.884 -9.700 117 HB3 ALA 16 HB3 ALA 16 -9.077 4.727 -8.932 118 HA PRO 17 HA PRO 17 -6.162 6.431 -13.372 119 HB2 PRO 17 HB2 PRO 17 -4.817 4.204 -14.118 120 HB3 PRO 17 HB1 PRO 17 -4.050 5.527 -13.232 121 HG2 PRO 17 HG2 PRO 17 -5.099 2.917 -12.207 122 HG3 PRO 17 HG1 PRO 17 -3.591 3.755 -11.797 123 HD2 PRO 17 HD2 PRO 17 -5.800 3.838 -10.219 124 HD3 PRO 17 HD1 PRO 17 -4.636 5.175 -10.317 125 H ALA 18 HN ALA 18 -6.768 5.472 -15.454 126 HA ALA 18 HA ALA 18 -9.064 3.657 -15.152 127 HB1 ALA 18 HB1 ALA 18 -9.636 5.853 -16.032 128 HB2 ALA 18 HB2 ALA 18 -9.893 4.607 -17.253 129 HB3 ALA 18 HB3 ALA 18 -8.471 5.647 -17.340 130 H ALA 19 HN ALA 19 -8.048 1.680 -15.321 131 HA ALA 19 HA ALA 19 -6.254 1.141 -17.531 132 HB1 ALA 19 HB1 ALA 19 -5.723 -0.836 -16.473 133 HB2 ALA 19 HB2 ALA 19 -7.315 -0.992 -15.733 134 HB3 ALA 19 HB3 ALA 19 -6.163 0.186 -15.105 135 H GLU 20 HN GLU 20 -6.686 -1.100 -18.642 136 HA GLU 20 HA GLU 20 -9.447 -1.698 -19.176 137 HB2 GLU 20 HB2 GLU 20 -7.756 -0.283 -21.231 138 HB3 GLU 20 HB1 GLU 20 -9.152 -1.256 -21.672 139 HG2 GLU 20 HG2 GLU 20 -10.505 0.201 -20.122 140 HG3 GLU 20 HG1 GLU 20 -9.096 1.256 -20.029 141 H ALA 21 HN ALA 21 -9.002 -3.811 -18.688 142 HA ALA 21 HA ALA 21 -8.341 -5.962 -19.022 143 HB1 ALA 21 HB1 ALA 21 -9.249 -5.922 -21.171 144 HB2 ALA 21 HB2 ALA 21 -7.605 -6.508 -21.421 145 HB3 ALA 21 HB3 ALA 21 -8.006 -4.829 -21.778 146 H GLU 22 HN GLU 22 -6.613 -6.559 -17.893 147 HA GLU 22 HA GLU 22 -3.983 -6.317 -19.067 148 HB2 GLU 22 HB2 GLU 22 -4.660 -4.255 -17.481 149 HB3 GLU 22 HB1 GLU 22 -4.076 -5.373 -16.256 150 HG2 GLU 22 HG2 GLU 22 -1.937 -5.136 -16.874 151 HG3 GLU 22 HG1 GLU 22 -2.330 -5.096 -18.593 152 H ALA 23 HN ALA 23 -3.079 -8.243 -18.834 153 HA ALA 23 HA ALA 23 -3.523 -9.727 -16.334 154 HB1 ALA 23 HB1 ALA 23 -3.863 -10.705 -19.145 155 HB2 ALA 23 HB2 ALA 23 -4.944 -10.885 -17.763 156 HB3 ALA 23 HB3 ALA 23 -3.450 -11.819 -17.841 157 H GLU 24 HN GLU 24 -1.534 -9.428 -15.454 158 HA GLU 24 HA GLU 24 0.809 -10.127 -17.086 159 HB2 GLU 24 HB2 GLU 24 0.491 -8.439 -14.612 160 HB3 GLU 24 HB1 GLU 24 2.064 -9.018 -15.143 161 HG2 GLU 24 HG2 GLU 24 1.779 -7.864 -17.271 162 HG3 GLU 24 HG1 GLU 24 0.194 -7.293 -16.751 163 H GLU 25 HN GLU 25 -0.953 -10.909 -14.172 164 HA GLU 25 HA GLU 25 -0.837 -12.659 -12.725 165 HB2 GLU 25 HB2 GLU 25 0.726 -13.877 -15.006 166 HB3 GLU 25 HB1 GLU 25 0.205 -14.769 -13.584 167 HG2 GLU 25 HG2 GLU 25 -2.083 -14.488 -14.140 168 HG3 GLU 25 HG1 GLU 25 -1.696 -13.325 -15.407 169 H GLU 26 HN GLU 26 0.293 -11.983 -10.993 170 HA GLU 26 HA GLU 26 3.229 -12.072 -11.124 171 HB2 GLU 26 HB2 GLU 26 3.211 -10.613 -9.161 172 HB3 GLU 26 HB1 GLU 26 2.286 -9.906 -10.478 173 HG2 GLU 26 HG2 GLU 26 0.358 -11.268 -9.127 174 HG3 GLU 26 HG1 GLU 26 1.428 -10.763 -7.819 175 H GLU 27 HN GLU 27 0.426 -13.254 -9.381 176 HA GLU 27 HA GLU 27 2.147 -15.248 -8.087 177 HB2 GLU 27 HB2 GLU 27 1.203 -13.184 -6.645 178 HB3 GLU 27 HB1 GLU 27 -0.172 -14.271 -6.518 179 HG2 GLU 27 HG2 GLU 27 1.772 -15.994 -5.921 180 HG3 GLU 27 HG1 GLU 27 2.546 -14.503 -5.386 181 H GLY 28 HN GLY 28 -1.327 -14.427 -8.143 182 HA2 GLY 28 HA2 GLY 28 -2.298 -16.276 -9.879 183 HA3 GLY 28 HA1 GLY 28 -2.033 -17.210 -8.415 184 H LEU 29 HN LEU 29 -3.152 -13.864 -8.790 185 HA LEU 29 HA LEU 29 -5.554 -14.599 -7.262 186 HB2 LEU 29 HB2 LEU 29 -3.967 -12.075 -7.517 187 HB3 LEU 29 HB1 LEU 29 -5.659 -11.989 -7.064 188 HG LEU 29 HG LEU 29 -4.317 -11.939 -5.072 189 HD11 LEU 29 HD11 LEU 29 -5.455 -14.716 -5.268 190 HD12 LEU 29 HD12 LEU 29 -6.454 -13.270 -5.120 191 HD13 LEU 29 HD13 LEU 29 -5.320 -13.692 -3.838 192 HD21 LEU 29 HD21 LEU 29 -3.222 -14.662 -5.499 193 HD22 LEU 29 HD22 LEU 29 -2.552 -13.296 -4.606 194 HD23 LEU 29 HD23 LEU 29 -2.461 -13.328 -6.367 195 H HIS 30 HN HIS 30 -7.534 -13.300 -7.792 196 HA HIS 30 HA HIS 30 -7.711 -12.697 -10.665 197 HB2 HIS 30 HB2 HIS 30 -8.622 -14.982 -10.116 198 HB3 HIS 30 HB1 HIS 30 -9.840 -14.188 -9.123 199 HD1 HIS 30 HD1 HIS 30 -11.950 -13.620 -10.288 200 HD2 HIS 30 HD2 HIS 30 -8.785 -14.074 -12.942 201 HE1 HIS 30 HE1 HIS 30 -12.958 -13.399 -12.581 202 HE2 HIS 30 HE2 HIS 30 -11.010 -13.590 -14.168 203 H LEU 31 HN LEU 31 -9.449 -11.267 -11.254 204 HA LEU 31 HA LEU 31 -10.560 -9.718 -9.015 205 HB2 LEU 31 HB2 LEU 31 -8.950 -8.764 -11.334 206 HB3 LEU 31 HB1 LEU 31 -10.248 -7.740 -10.750 207 HG LEU 31 HG LEU 31 -8.166 -7.057 -9.741 208 HD11 LEU 31 HD11 LEU 31 -8.815 -7.029 -7.469 209 HD12 LEU 31 HD12 LEU 31 -9.717 -8.536 -7.632 210 HD13 LEU 31 HD13 LEU 31 -10.308 -7.066 -8.408 211 HD21 LEU 31 HD21 LEU 31 -7.810 -9.544 -8.196 212 HD22 LEU 31 HD22 LEU 31 -6.610 -8.433 -8.856 213 HD23 LEU 31 HD23 LEU 31 -7.382 -9.622 -9.905 214 H GLU 32 HN GLU 32 -12.310 -8.167 -9.859 215 HA GLU 32 HA GLU 32 -13.988 -9.663 -11.758 216 HB2 GLU 32 HB2 GLU 32 -15.910 -8.590 -10.660 217 HB3 GLU 32 HB1 GLU 32 -14.942 -9.516 -9.521 218 HG2 GLU 32 HG2 GLU 32 -13.852 -7.408 -8.810 219 HG3 GLU 32 HG1 GLU 32 -14.954 -6.528 -9.867 220 H ASP 33 HN ASP 33 -12.890 -6.434 -10.845 221 HA ASP 33 HA ASP 33 -13.624 -5.510 -13.539 222 HB2 ASP 33 HB2 ASP 33 -14.080 -4.088 -10.915 223 HB3 ASP 33 HB1 ASP 33 -14.094 -3.253 -12.465 224 H ASP 34 HN ASP 34 -12.555 -3.135 -13.737 225 HA ASP 34 HA ASP 34 -9.759 -3.615 -13.802 226 HB2 ASP 34 HB2 ASP 34 -9.654 -1.182 -14.500 227 HB3 ASP 34 HB1 ASP 34 -10.671 -2.214 -15.500 228 H GLN 35 HN GLN 35 -11.772 -1.420 -11.855 229 HA GLN 35 HA GLN 35 -9.644 -0.368 -10.325 230 HB2 GLN 35 HB2 GLN 35 -12.612 -0.387 -10.125 231 HB3 GLN 35 HB1 GLN 35 -11.708 0.005 -8.669 232 HG2 GLN 35 HG2 GLN 35 -12.212 2.051 -9.717 233 HG3 GLN 35 HG1 GLN 35 -10.501 1.748 -10.015 234 HE21 GLN 35 HE21 GLN 35 -9.950 2.386 -11.961 235 HE22 GLN 35 HE22 GLN 35 -10.887 2.206 -13.402 236 H GLU 36 HN GLU 36 -9.055 -0.790 -8.155 237 HA GLU 36 HA GLU 36 -9.456 -3.594 -7.385 238 HB2 GLU 36 HB2 GLU 36 -7.273 -1.602 -6.874 239 HB3 GLU 36 HB1 GLU 36 -7.469 -2.986 -5.807 240 HG2 GLU 36 HG2 GLU 36 -6.921 -3.037 -8.763 241 HG3 GLU 36 HG1 GLU 36 -5.824 -3.502 -7.464 242 HA PRO 37 HA PRO 37 -11.890 -2.374 -3.901 243 HB2 PRO 37 HB2 PRO 37 -11.512 -4.506 -2.276 244 HB3 PRO 37 HB1 PRO 37 -12.498 -4.589 -3.741 245 HG2 PRO 37 HG2 PRO 37 -9.666 -5.461 -3.311 246 HG3 PRO 37 HG1 PRO 37 -10.973 -6.291 -4.177 247 HD2 PRO 37 HD2 PRO 37 -9.035 -4.878 -5.446 248 HD3 PRO 37 HD1 PRO 37 -10.687 -5.024 -6.078 249 H ARG 38 HN ARG 38 -11.542 -2.782 -1.276 250 HA ARG 38 HA ARG 38 -8.903 -2.306 -0.332 251 HB2 ARG 38 HB2 ARG 38 -9.274 0.022 0.455 252 HB3 ARG 38 HB1 ARG 38 -9.199 -0.117 -1.296 253 HG2 ARG 38 HG2 ARG 38 -10.978 1.310 -0.992 254 HG3 ARG 38 HG1 ARG 38 -11.782 -0.253 -1.148 255 HD2 ARG 38 HD2 ARG 38 -12.485 -0.250 0.994 256 HD3 ARG 38 HD1 ARG 38 -10.999 0.491 1.588 257 HE ARG 38 HE ARG 38 -12.542 2.359 0.115 258 HH11 ARG 38 HH11 ARG 38 -12.398 0.730 3.198 259 HH12 ARG 38 HH12 ARG 38 -13.234 1.989 4.043 260 HH21 ARG 38 HH21 ARG 38 -13.642 4.016 1.225 261 HH22 ARG 38 HH22 ARG 38 -13.941 3.854 2.923 262 H GLU 39 HN GLU 39 -8.768 -2.316 1.922 263 HA GLU 39 HA GLU 39 -11.302 -2.632 3.378 264 HB2 GLU 39 HB2 GLU 39 -9.028 -4.544 3.173 265 HB3 GLU 39 HB1 GLU 39 -9.819 -4.386 4.735 266 HG2 GLU 39 HG2 GLU 39 -11.562 -4.749 2.374 267 HG3 GLU 39 HG1 GLU 39 -10.598 -6.132 2.890 268 H HIS 40 HN HIS 40 -10.834 -2.665 5.834 269 HA HIS 40 HA HIS 40 -9.176 -0.334 6.390 270 HB2 HIS 40 HB2 HIS 40 -10.304 -0.388 8.618 271 HB3 HIS 40 HB1 HIS 40 -11.420 -0.245 7.264 272 HD1 HIS 40 HD1 HIS 40 -12.959 -2.272 6.777 273 HD2 HIS 40 HD2 HIS 40 -10.502 -2.752 10.094 274 HE1 HIS 40 HE1 HIS 40 -13.867 -4.271 8.003 275 HE2 HIS 40 HE2 HIS 40 -12.418 -4.489 10.052 276 HA PRO 41 HA PRO 41 -5.964 -2.828 8.168 277 HB2 PRO 41 HB2 PRO 41 -4.571 -0.909 9.442 278 HB3 PRO 41 HB1 PRO 41 -4.600 -1.029 7.679 279 HG2 PRO 41 HG2 PRO 41 -6.155 0.787 9.480 280 HG3 PRO 41 HG1 PRO 41 -5.340 1.159 7.950 281 HD2 PRO 41 HD2 PRO 41 -8.025 0.712 8.153 282 HD3 PRO 41 HD1 PRO 41 -7.086 0.372 6.686 283 H ILE 42 HN ILE 42 -4.843 -3.075 10.379 284 HA ILE 42 HA ILE 42 -6.886 -2.890 12.496 285 HB ILE 42 HB ILE 42 -6.424 -5.207 11.793 286 HG12 ILE 42 HG12 ILE 42 -5.318 -4.653 14.552 287 HG13 ILE 42 HG11 ILE 42 -7.033 -4.613 14.156 288 HG21 ILE 42 HG21 ILE 42 -4.374 -6.110 11.601 289 HG22 ILE 42 HG22 ILE 42 -3.751 -5.260 13.015 290 HG23 ILE 42 HG23 ILE 42 -3.859 -4.428 11.464 291 HD11 ILE 42 HD11 ILE 42 -7.191 -6.804 14.392 292 HD12 ILE 42 HD12 ILE 42 -5.526 -6.808 14.975 293 HD13 ILE 42 HD13 ILE 42 -5.862 -7.075 13.264 294 H MET 43 HN MET 43 -6.071 -2.696 14.700 295 HA MET 43 HA MET 43 -4.230 -0.611 14.997 296 HB2 MET 43 HB2 MET 43 -4.332 -1.137 17.423 297 HB3 MET 43 HB1 MET 43 -5.918 -1.016 16.673 298 HG2 MET 43 HG2 MET 43 -5.445 -3.664 16.418 299 HG3 MET 43 HG1 MET 43 -4.580 -3.314 17.914 300 HE1 MET 43 HE1 MET 43 -8.682 -4.475 17.514 301 HE2 MET 43 HE2 MET 43 -7.387 -5.328 18.353 302 HE3 MET 43 HE3 MET 43 -7.178 -4.843 16.671 303 H GLY 44 HN GLY 44 -2.336 -0.885 16.678 304 HA2 GLY 44 HA2 GLY 44 -0.788 -3.032 17.107 305 HA3 GLY 44 HA1 GLY 44 -0.462 -2.706 15.412 306 H GLY 45 HN GLY 45 1.296 -1.534 15.062 307 HA2 GLY 45 HA2 GLY 45 1.861 0.950 16.143 308 HA3 GLY 45 HA1 GLY 45 2.677 -0.215 17.174 309 H ILE 46 HN ILE 46 4.508 1.183 16.294 310 HA ILE 46 HA ILE 46 5.343 0.838 13.601 311 HB ILE 46 HB ILE 46 7.077 1.564 15.962 312 HG12 ILE 46 HG12 ILE 46 5.079 3.018 15.807 313 HG13 ILE 46 HG11 ILE 46 6.567 3.892 15.457 314 HG21 ILE 46 HG21 ILE 46 8.215 2.894 14.042 315 HG22 ILE 46 HG22 ILE 46 7.390 1.738 12.996 316 HG23 ILE 46 HG23 ILE 46 8.532 1.167 14.213 317 HD11 ILE 46 HD11 ILE 46 5.772 3.055 12.977 318 HD12 ILE 46 HD12 ILE 46 5.485 4.651 13.670 319 HD13 ILE 46 HD13 ILE 46 4.242 3.404 13.781 320 H TYR 47 HN TYR 47 5.367 -1.282 16.227 321 HA TYR 47 HA TYR 47 7.586 -2.834 15.079 322 HB2 TYR 47 HB2 TYR 47 7.376 -2.061 17.636 323 HB3 TYR 47 HB1 TYR 47 6.456 -3.559 17.732 324 HD1 TYR 47 HD1 TYR 47 9.661 -2.379 16.197 325 HD2 TYR 47 HD2 TYR 47 7.643 -5.417 18.386 326 HE1 TYR 47 HE1 TYR 47 11.761 -3.648 16.359 327 HE2 TYR 47 HE2 TYR 47 9.738 -6.694 18.556 328 HH TYR 47 HH TYR 47 12.725 -5.415 17.970 329 H ASP 48 HN ASP 48 4.206 -2.876 15.932 330 HA ASP 48 HA ASP 48 3.693 -5.617 15.788 331 HB2 ASP 48 HB2 ASP 48 1.804 -3.450 14.863 332 HB3 ASP 48 HB1 ASP 48 1.386 -5.036 15.502 333 H ALA 49 HN ALA 49 3.011 -6.968 14.127 334 HA ALA 49 HA ALA 49 2.765 -6.077 11.425 335 HB1 ALA 49 HB1 ALA 49 5.255 -7.596 12.189 336 HB2 ALA 49 HB2 ALA 49 5.170 -5.955 11.550 337 HB3 ALA 49 HB3 ALA 49 4.709 -7.321 10.534 338 HA PRO 50 HA PRO 50 1.070 -10.319 12.643 339 HB2 PRO 50 HB2 PRO 50 -1.532 -9.702 12.954 340 HB3 PRO 50 HB1 PRO 50 -0.368 -9.549 14.276 341 HG2 PRO 50 HG2 PRO 50 -1.470 -7.433 12.467 342 HG3 PRO 50 HG1 PRO 50 -1.208 -7.380 14.220 343 HD2 PRO 50 HD2 PRO 50 0.508 -6.270 12.412 344 HD3 PRO 50 HD1 PRO 50 1.022 -6.884 13.995 345 H LEU 51 HN LEU 51 -0.426 -7.777 10.696 346 HA LEU 51 HA LEU 51 -1.405 -7.777 8.642 347 HB2 LEU 51 HB2 LEU 51 1.039 -8.910 8.375 348 HB3 LEU 51 HB1 LEU 51 0.028 -10.195 7.742 349 HG LEU 51 HG LEU 51 -0.184 -7.368 6.734 350 HD11 LEU 51 HD11 LEU 51 2.136 -8.723 6.556 351 HD12 LEU 51 HD12 LEU 51 1.556 -7.601 5.325 352 HD13 LEU 51 HD13 LEU 51 1.304 -9.336 5.127 353 HD21 LEU 51 HD21 LEU 51 -1.875 -9.387 6.361 354 HD22 LEU 51 HD22 LEU 51 -0.716 -9.775 5.090 355 HD23 LEU 51 HD23 LEU 51 -1.521 -8.206 5.100 356 H ASN 52 HN ASN 52 -3.213 -8.697 10.172 357 HA ASN 52 HA ASN 52 -4.038 -11.350 10.034 358 HB2 ASN 52 HB2 ASN 52 -5.379 -8.753 10.592 359 HB3 ASN 52 HB1 ASN 52 -6.413 -10.133 10.237 360 HD21 ASN 52 HD21 ASN 52 -4.344 -8.634 12.514 361 HD22 ASN 52 HD22 ASN 52 -4.535 -9.788 13.785 362 H ASN 53 HN ASN 53 -4.306 -8.786 7.696 363 HA ASN 53 HA ASN 53 -6.116 -10.352 6.027 364 HB2 ASN 53 HB2 ASN 53 -4.957 -7.659 5.366 365 HB3 ASN 53 HB1 ASN 53 -6.405 -8.404 4.706 366 HD21 ASN 53 HD21 ASN 53 -7.694 -9.262 6.932 367 HD22 ASN 53 HD22 ASN 53 -8.143 -7.915 7.916 368 H GLU 54 HN GLU 54 -3.711 -11.609 6.353 369 HA GLU 54 HA GLU 54 -2.096 -11.005 3.996 370 HB2 GLU 54 HB2 GLU 54 -0.981 -11.439 6.168 371 HB3 GLU 54 HB1 GLU 54 -1.644 -13.067 6.160 372 HG2 GLU 54 HG2 GLU 54 -0.264 -13.766 4.449 373 HG3 GLU 54 HG1 GLU 54 0.017 -12.126 3.867 374 H ASN 55 HN ASN 55 -4.871 -12.358 4.101 375 HA ASN 55 HA ASN 55 -4.644 -15.034 3.342 376 HB2 ASN 55 HB2 ASN 55 -6.716 -13.060 2.364 377 HB3 ASN 55 HB1 ASN 55 -6.878 -14.812 2.426 378 HD21 ASN 55 HD21 ASN 55 -7.205 -11.882 4.113 379 HD22 ASN 55 HD22 ASN 55 -7.693 -12.539 5.635 380 H GLY 56 HN GLY 56 -4.126 -12.094 1.538 381 HA2 GLY 56 HA2 GLY 56 -2.505 -12.494 -0.351 382 HA3 GLY 56 HA1 GLY 56 -3.655 -13.707 -0.892 383 H PHE 57 HN PHE 57 -6.048 -12.561 -0.757 384 HA PHE 57 HA PHE 57 -6.060 -10.793 -2.962 385 HB2 PHE 57 HB2 PHE 57 -8.195 -11.663 -1.019 386 HB3 PHE 57 HB1 PHE 57 -8.526 -10.528 -2.323 387 HD1 PHE 57 HD1 PHE 57 -7.181 -13.931 -1.675 388 HD2 PHE 57 HD2 PHE 57 -9.091 -11.309 -4.429 389 HE1 PHE 57 HE1 PHE 57 -7.535 -15.815 -3.217 390 HE2 PHE 57 HE2 PHE 57 -9.449 -13.189 -5.976 391 HZ PHE 57 HZ PHE 57 -8.671 -15.445 -5.370 392 H ASP 58 HN ASP 58 -6.441 -10.302 0.514 393 HA ASP 58 HA ASP 58 -7.052 -7.527 0.329 394 HB2 ASP 58 HB2 ASP 58 -6.323 -9.407 2.535 395 HB3 ASP 58 HB1 ASP 58 -6.221 -7.675 2.836 396 H LYS 59 HN LYS 59 -4.084 -9.310 1.161 397 HA LYS 59 HA LYS 59 -2.442 -7.080 1.559 398 HB2 LYS 59 HB2 LYS 59 -0.604 -8.572 1.472 399 HB3 LYS 59 HB1 LYS 59 -1.939 -9.496 2.144 400 HG2 LYS 59 HG2 LYS 59 -2.313 -10.572 0.010 401 HG3 LYS 59 HG1 LYS 59 -1.044 -9.594 -0.729 402 HD2 LYS 59 HD2 LYS 59 -0.208 -11.058 1.672 403 HD3 LYS 59 HD1 LYS 59 -0.684 -12.086 0.318 404 HE2 LYS 59 HE2 LYS 59 0.945 -11.151 -1.100 405 HE3 LYS 59 HE1 LYS 59 1.222 -9.788 -0.017 406 HZ1 LYS 59 HZ1 LYS 59 1.948 -12.620 0.505 407 HZ2 LYS 59 HZ2 LYS 59 2.153 -11.352 1.605 408 HZ3 LYS 59 HZ3 LYS 59 3.020 -11.359 0.152 409 H GLU 60 HN GLU 60 -3.149 -8.938 -1.367 410 HA GLU 60 HA GLU 60 -1.342 -7.554 -3.048 411 HB2 GLU 60 HB2 GLU 60 -3.684 -9.359 -3.482 412 HB3 GLU 60 HB1 GLU 60 -3.053 -8.449 -4.848 413 HG2 GLU 60 HG2 GLU 60 -0.776 -9.495 -3.789 414 HG3 GLU 60 HG1 GLU 60 -1.947 -10.768 -3.452 415 H ASP 61 HN ASP 61 -4.842 -7.209 -2.518 416 HA ASP 61 HA ASP 61 -5.294 -5.128 -4.322 417 HB2 ASP 61 HB2 ASP 61 -6.681 -5.860 -1.742 418 HB3 ASP 61 HB1 ASP 61 -7.260 -4.584 -2.808 419 H LEU 62 HN LEU 62 -4.272 -5.051 -0.941 420 HA LEU 62 HA LEU 62 -4.381 -2.246 -0.623 421 HB2 LEU 62 HB2 LEU 62 -4.315 -3.663 1.308 422 HB3 LEU 62 HB1 LEU 62 -2.794 -4.374 0.804 423 HG LEU 62 HG LEU 62 -1.567 -2.450 1.381 424 HD11 LEU 62 HD11 LEU 62 -2.835 -0.375 2.211 425 HD12 LEU 62 HD12 LEU 62 -4.216 -1.052 1.348 426 HD13 LEU 62 HD13 LEU 62 -2.738 -0.655 0.473 427 HD21 LEU 62 HD21 LEU 62 -3.695 -3.165 3.348 428 HD22 LEU 62 HD22 LEU 62 -2.539 -1.888 3.726 429 HD23 LEU 62 HD23 LEU 62 -1.968 -3.521 3.383 430 H ALA 63 HN ALA 63 -1.623 -4.412 -1.269 431 HA ALA 63 HA ALA 63 0.351 -2.471 -1.510 432 HB1 ALA 63 HB1 ALA 63 0.740 -4.920 -1.404 433 HB2 ALA 63 HB2 ALA 63 1.653 -4.118 -2.682 434 HB3 ALA 63 HB3 ALA 63 0.204 -5.041 -3.080 435 H ARG 64 HN ARG 64 -1.551 -3.972 -4.130 436 HA ARG 64 HA ARG 64 -0.524 -2.396 -6.208 437 HB2 ARG 64 HB2 ARG 64 -2.066 -4.541 -6.204 438 HB3 ARG 64 HB1 ARG 64 -3.355 -3.349 -6.298 439 HG2 ARG 64 HG2 ARG 64 -1.062 -3.613 -8.232 440 HG3 ARG 64 HG1 ARG 64 -2.717 -4.164 -8.503 441 HD2 ARG 64 HD2 ARG 64 -3.178 -1.597 -7.840 442 HD3 ARG 64 HD1 ARG 64 -1.582 -1.439 -8.572 443 HE ARG 64 HE ARG 64 -4.025 -1.859 -9.933 444 HH11 ARG 64 HH11 ARG 64 -0.662 -2.786 -10.009 445 HH12 ARG 64 HH12 ARG 64 -0.651 -3.075 -11.716 446 HH21 ARG 64 HH21 ARG 64 -4.013 -2.240 -12.178 447 HH22 ARG 64 HH22 ARG 64 -2.553 -2.765 -12.948 448 H PHE 65 HN PHE 65 -3.209 -1.880 -3.995 449 HA PHE 65 HA PHE 65 -4.417 0.303 -5.244 450 HB2 PHE 65 HB2 PHE 65 -5.468 -0.857 -3.380 451 HB3 PHE 65 HB1 PHE 65 -4.185 -0.333 -2.295 452 HD1 PHE 65 HD2 PHE 65 -6.518 1.271 -4.734 453 HD2 PHE 65 HD1 PHE 65 -4.768 1.339 -0.855 454 HE1 PHE 65 HE2 PHE 65 -7.811 3.293 -4.191 455 HE2 PHE 65 HE1 PHE 65 -6.059 3.361 -0.304 456 HZ PHE 65 HZ PHE 65 -7.582 4.340 -1.973 457 H ALA 66 HN ALA 66 -2.104 0.392 -2.522 458 HA ALA 66 HA ALA 66 -1.702 3.153 -2.531 459 HB1 ALA 66 HB1 ALA 66 -0.812 2.330 -0.632 460 HB2 ALA 66 HB2 ALA 66 0.668 2.263 -1.589 461 HB3 ALA 66 HB3 ALA 66 -0.321 0.816 -1.392 462 H VAL 67 HN VAL 67 0.326 0.612 -4.000 463 HA VAL 67 HA VAL 67 2.254 2.201 -5.165 464 HB VAL 67 HB VAL 67 1.062 -0.292 -6.390 465 HG11 VAL 67 HG11 VAL 67 3.300 -0.551 -7.402 466 HG12 VAL 67 HG12 VAL 67 3.746 1.031 -6.761 467 HG13 VAL 67 HG13 VAL 67 2.460 0.896 -7.960 468 HG21 VAL 67 HG21 VAL 67 2.155 -1.563 -4.899 469 HG22 VAL 67 HG22 VAL 67 2.167 -0.107 -3.903 470 HG23 VAL 67 HG23 VAL 67 3.570 -0.511 -4.893 471 H ARG 68 HN ARG 68 -0.808 1.125 -6.630 472 HA ARG 68 HA ARG 68 -0.469 2.593 -9.028 473 HB2 ARG 68 HB2 ARG 68 -1.963 0.694 -8.955 474 HB3 ARG 68 HB1 ARG 68 -2.948 1.463 -7.717 475 HG2 ARG 68 HG2 ARG 68 -3.900 2.947 -9.212 476 HG3 ARG 68 HG1 ARG 68 -2.582 2.781 -10.373 477 HD2 ARG 68 HD2 ARG 68 -4.076 0.313 -9.795 478 HD3 ARG 68 HD1 ARG 68 -4.995 1.575 -10.614 479 HE ARG 68 HE ARG 68 -2.429 1.058 -11.801 480 HH11 ARG 68 HH11 ARG 68 -5.784 0.103 -11.711 481 HH12 ARG 68 HH12 ARG 68 -5.762 -0.581 -13.302 482 HH21 ARG 68 HH21 ARG 68 -2.398 0.159 -13.894 483 HH22 ARG 68 HH22 ARG 68 -3.840 -0.550 -14.541 484 H GLU 69 HN GLU 69 -1.740 3.386 -5.884 485 HA GLU 69 HA GLU 69 -3.217 5.684 -6.582 486 HB2 GLU 69 HB2 GLU 69 -3.237 4.414 -4.368 487 HB3 GLU 69 HB1 GLU 69 -1.768 5.293 -3.968 488 HG2 GLU 69 HG2 GLU 69 -4.356 6.630 -4.709 489 HG3 GLU 69 HG1 GLU 69 -3.881 6.261 -3.052 490 H TYR 70 HN TYR 70 0.168 5.211 -5.679 491 HA TYR 70 HA TYR 70 0.712 8.052 -6.000 492 HB2 TYR 70 HB2 TYR 70 2.656 7.702 -4.838 493 HB3 TYR 70 HB1 TYR 70 1.728 6.331 -4.246 494 HD1 TYR 70 HD2 TYR 70 4.368 7.342 -6.631 495 HD2 TYR 70 HD1 TYR 70 2.431 4.105 -4.666 496 HE1 TYR 70 HE2 TYR 70 6.136 5.821 -7.408 497 HE2 TYR 70 HE1 TYR 70 4.194 2.574 -5.438 498 HH TYR 70 HH TYR 70 6.997 3.275 -6.287 499 H ASN 71 HN ASN 71 0.867 5.163 -7.840 500 HA ASN 71 HA ASN 71 2.875 6.134 -9.679 501 HB2 ASN 71 HB2 ASN 71 1.258 3.632 -9.422 502 HB3 ASN 71 HB1 ASN 71 2.011 4.008 -10.969 503 HD21 ASN 71 HD21 ASN 71 4.364 4.593 -10.823 504 HD22 ASN 71 HD22 ASN 71 5.336 3.652 -9.748 505 H ASN 72 HN ASN 72 -0.576 6.218 -9.407 506 HA ASN 72 HA ASN 72 -0.994 6.742 -12.219 507 HB2 ASN 72 HB2 ASN 72 -3.278 6.663 -11.778 508 HB3 ASN 72 HB1 ASN 72 -2.621 5.566 -10.570 509 HD21 ASN 72 HD21 ASN 72 -2.629 6.168 -8.412 510 HD22 ASN 72 HD22 ASN 72 -3.578 7.487 -7.825 511 H LYS 73 HN LYS 73 -0.808 8.589 -9.232 512 HA LYS 73 HA LYS 73 -1.852 11.008 -10.005 513 HB2 LYS 73 HB2 LYS 73 0.009 11.989 -8.471 514 HB3 LYS 73 HB1 LYS 73 -1.241 10.962 -7.782 515 HG2 LYS 73 HG2 LYS 73 0.207 9.154 -7.555 516 HG3 LYS 73 HG1 LYS 73 1.387 9.836 -8.672 517 HD2 LYS 73 HD2 LYS 73 1.481 11.769 -6.900 518 HD3 LYS 73 HD1 LYS 73 0.855 10.523 -5.818 519 HE2 LYS 73 HE2 LYS 73 2.742 9.128 -6.207 520 HE3 LYS 73 HE1 LYS 73 3.299 10.146 -7.535 521 HZ1 LYS 73 HZ1 LYS 73 4.604 10.577 -5.585 522 HZ2 LYS 73 HZ2 LYS 73 3.222 10.883 -4.659 523 HZ3 LYS 73 HZ3 LYS 73 3.652 11.938 -5.909 524 H ASN 74 HN ASN 74 1.450 9.840 -10.570 525 HA ASN 74 HA ASN 74 1.728 11.198 -13.001 526 HB2 ASN 74 HB2 ASN 74 3.553 12.809 -12.116 527 HB3 ASN 74 HB1 ASN 74 1.860 13.251 -11.933 528 HD21 ASN 74 HD21 ASN 74 4.485 11.619 -10.207 529 HD22 ASN 74 HD22 ASN 74 4.037 12.186 -8.640 530 H ASN 75 HN ASN 75 3.267 9.734 -10.205 531 HA ASN 75 HA ASN 75 5.830 9.309 -11.091 532 HB2 ASN 75 HB2 ASN 75 4.320 8.428 -8.961 533 HB3 ASN 75 HB1 ASN 75 4.690 6.932 -9.813 534 HD21 ASN 75 HD21 ASN 75 6.743 6.154 -9.810 535 HD22 ASN 75 HD22 ASN 75 8.031 6.853 -8.894 536 H ALA 76 HN ALA 76 6.724 7.041 -11.681 537 HA ALA 76 HA ALA 76 5.971 6.465 -14.310 538 HB1 ALA 76 HB1 ALA 76 8.194 5.993 -13.253 539 HB2 ALA 76 HB2 ALA 76 7.546 4.680 -14.236 540 HB3 ALA 76 HB3 ALA 76 7.454 4.592 -12.477 541 H LEU 77 HN LEU 77 5.709 3.871 -14.773 542 HA LEU 77 HA LEU 77 3.277 3.066 -13.317 543 HB2 LEU 77 HB2 LEU 77 3.554 3.707 -16.045 544 HB3 LEU 77 HB1 LEU 77 3.385 1.963 -15.975 545 HG LEU 77 HG LEU 77 1.210 2.909 -16.276 546 HD11 LEU 77 HD11 LEU 77 0.997 2.379 -13.385 547 HD12 LEU 77 HD12 LEU 77 1.791 1.129 -14.345 548 HD13 LEU 77 HD13 LEU 77 0.151 1.640 -14.745 549 HD21 LEU 77 HD21 LEU 77 1.184 5.093 -15.634 550 HD22 LEU 77 HD22 LEU 77 2.120 4.792 -14.170 551 HD23 LEU 77 HD23 LEU 77 0.407 4.378 -14.221 552 H LEU 78 HN LEU 78 4.450 1.713 -11.927 553 HA LEU 78 HA LEU 78 5.777 -0.587 -13.192 554 HB2 LEU 78 HB2 LEU 78 6.552 -0.929 -10.719 555 HB3 LEU 78 HB1 LEU 78 7.350 0.247 -11.745 556 HG LEU 78 HG LEU 78 6.003 2.042 -10.717 557 HD11 LEU 78 HD11 LEU 78 4.729 -0.280 -9.404 558 HD12 LEU 78 HD12 LEU 78 4.042 1.268 -9.896 559 HD13 LEU 78 HD13 LEU 78 4.988 1.155 -8.412 560 HD21 LEU 78 HD21 LEU 78 7.519 2.307 -9.086 561 HD22 LEU 78 HD22 LEU 78 8.215 0.814 -9.715 562 HD23 LEU 78 HD23 LEU 78 7.125 0.764 -8.330 563 H GLU 79 HN GLU 79 5.652 -2.538 -11.422 564 HA GLU 79 HA GLU 79 2.865 -2.831 -10.567 565 HB2 GLU 79 HB2 GLU 79 3.126 -3.802 -12.858 566 HB3 GLU 79 HB1 GLU 79 4.307 -4.925 -12.199 567 HG2 GLU 79 HG2 GLU 79 2.574 -6.293 -11.921 568 HG3 GLU 79 HG1 GLU 79 2.190 -5.291 -10.522 569 H PHE 80 HN PHE 80 2.655 -3.799 -8.647 570 HA PHE 80 HA PHE 80 5.021 -4.588 -7.216 571 HB2 PHE 80 HB2 PHE 80 3.784 -4.297 -5.331 572 HB3 PHE 80 HB1 PHE 80 2.716 -3.426 -6.424 573 HD1 PHE 80 HD1 PHE 80 0.734 -4.643 -7.397 574 HD2 PHE 80 HD2 PHE 80 3.064 -6.210 -4.200 575 HE1 PHE 80 HE1 PHE 80 -1.100 -6.178 -6.819 576 HE2 PHE 80 HE2 PHE 80 1.236 -7.750 -3.616 577 HZ PHE 80 HZ PHE 80 -0.850 -7.735 -4.928 578 H VAL 81 HN VAL 81 5.435 -6.640 -6.300 579 HA VAL 81 HA VAL 81 4.210 -8.843 -7.807 580 HB VAL 81 HB VAL 81 6.199 -10.166 -6.985 581 HG11 VAL 81 HG11 VAL 81 7.697 -9.279 -8.665 582 HG12 VAL 81 HG12 VAL 81 6.828 -7.744 -8.670 583 HG13 VAL 81 HG13 VAL 81 6.036 -9.209 -9.252 584 HG21 VAL 81 HG21 VAL 81 6.695 -8.557 -5.108 585 HG22 VAL 81 HG22 VAL 81 7.359 -7.467 -6.326 586 HG23 VAL 81 HG23 VAL 81 8.086 -9.054 -6.072 587 H ARG 82 HN ARG 82 4.975 -7.730 -4.558 588 HA ARG 82 HA ARG 82 2.823 -8.932 -3.311 589 HB2 ARG 82 HB2 ARG 82 3.947 -10.791 -2.078 590 HB3 ARG 82 HB1 ARG 82 3.729 -11.091 -3.797 591 HG2 ARG 82 HG2 ARG 82 6.126 -10.113 -3.982 592 HG3 ARG 82 HG1 ARG 82 6.219 -10.535 -2.273 593 HD2 ARG 82 HD2 ARG 82 5.839 -12.827 -2.721 594 HD3 ARG 82 HD1 ARG 82 5.338 -12.494 -4.378 595 HE ARG 82 HE ARG 82 7.993 -11.629 -3.993 596 HH11 ARG 82 HH11 ARG 82 6.115 -14.555 -4.294 597 HH12 ARG 82 HH12 ARG 82 7.428 -15.480 -4.941 598 HH21 ARG 82 HH21 ARG 82 9.722 -12.844 -4.844 599 HH22 ARG 82 HH22 ARG 82 9.476 -14.509 -5.253 600 H VAL 83 HN VAL 83 3.030 -8.949 -0.896 601 HA VAL 83 HA VAL 83 4.615 -6.655 -0.090 602 HB VAL 83 HB VAL 83 3.313 -6.591 1.902 603 HG11 VAL 83 HG11 VAL 83 0.934 -7.208 0.596 604 HG12 VAL 83 HG12 VAL 83 2.058 -6.771 -0.691 605 HG13 VAL 83 HG13 VAL 83 1.752 -5.646 0.633 606 HG21 VAL 83 HG21 VAL 83 3.088 -8.675 2.798 607 HG22 VAL 83 HG22 VAL 83 2.726 -9.426 1.243 608 HG23 VAL 83 HG23 VAL 83 1.484 -8.500 2.086 609 H VAL 84 HN VAL 84 6.201 -6.654 1.464 610 HA VAL 84 HA VAL 84 7.147 -9.303 2.343 611 HB VAL 84 HB VAL 84 8.674 -8.298 0.718 612 HG11 VAL 84 HG11 VAL 84 9.704 -6.177 2.400 613 HG12 VAL 84 HG12 VAL 84 8.021 -5.902 1.952 614 HG13 VAL 84 HG13 VAL 84 9.238 -6.146 0.700 615 HG21 VAL 84 HG21 VAL 84 10.715 -8.517 1.986 616 HG22 VAL 84 HG22 VAL 84 9.542 -9.700 2.565 617 HG23 VAL 84 HG23 VAL 84 9.849 -8.234 3.496 618 H LYS 85 HN LYS 85 6.021 -6.256 3.355 619 HA LYS 85 HA LYS 85 6.599 -6.949 6.121 620 HB2 LYS 85 HB2 LYS 85 7.193 -4.144 5.229 621 HB3 LYS 85 HB1 LYS 85 7.687 -4.958 6.706 622 HG2 LYS 85 HG2 LYS 85 9.107 -6.458 5.245 623 HG3 LYS 85 HG1 LYS 85 8.775 -5.324 3.934 624 HD2 LYS 85 HD2 LYS 85 9.583 -3.537 5.657 625 HD3 LYS 85 HD1 LYS 85 10.348 -4.919 6.444 626 HE2 LYS 85 HE2 LYS 85 11.125 -5.360 3.916 627 HE3 LYS 85 HE1 LYS 85 10.976 -3.604 3.870 628 HZ1 LYS 85 HZ1 LYS 85 12.442 -3.500 5.820 629 HZ2 LYS 85 HZ2 LYS 85 13.201 -4.220 4.490 630 HZ3 LYS 85 HZ3 LYS 85 12.636 -5.180 5.762 631 H ALA 86 HN ALA 86 5.278 -5.827 7.651 632 HA ALA 86 HA ALA 86 3.179 -4.088 6.680 633 HB1 ALA 86 HB1 ALA 86 1.553 -5.820 7.948 634 HB2 ALA 86 HB2 ALA 86 2.719 -6.943 7.249 635 HB3 ALA 86 HB3 ALA 86 1.830 -5.833 6.207 636 H LYS 87 HN LYS 87 2.728 -2.625 8.191 637 HA LYS 87 HA LYS 87 2.999 -3.333 11.020 638 HB2 LYS 87 HB2 LYS 87 4.385 -1.041 9.633 639 HB3 LYS 87 HB1 LYS 87 4.118 -1.068 11.371 640 HG2 LYS 87 HG2 LYS 87 6.176 -1.981 11.368 641 HG3 LYS 87 HG1 LYS 87 5.269 -3.465 11.072 642 HD2 LYS 87 HD2 LYS 87 5.542 -2.858 8.575 643 HD3 LYS 87 HD1 LYS 87 6.821 -1.780 9.139 644 HE2 LYS 87 HE2 LYS 87 6.659 -4.759 9.582 645 HE3 LYS 87 HE1 LYS 87 7.747 -3.925 8.474 646 HZ1 LYS 87 HZ1 LYS 87 8.665 -2.763 10.464 647 HZ2 LYS 87 HZ2 LYS 87 8.963 -4.427 10.426 648 HZ3 LYS 87 HZ3 LYS 87 7.757 -3.808 11.437 649 H GLU 88 HN GLU 88 1.984 -1.720 12.461 650 HA GLU 88 HA GLU 88 -0.242 -0.343 11.102 651 HB2 GLU 88 HB2 GLU 88 -0.342 -1.390 13.924 652 HB3 GLU 88 HB1 GLU 88 -1.682 -0.881 12.906 653 HG2 GLU 88 HG2 GLU 88 -1.922 -3.124 12.722 654 HG3 GLU 88 HG1 GLU 88 -0.804 -2.856 11.386 655 H GLN 89 HN GLN 89 -1.106 1.549 12.224 656 HA GLN 89 HA GLN 89 0.468 2.807 14.271 657 HB2 GLN 89 HB2 GLN 89 1.860 3.294 12.318 658 HB3 GLN 89 HB1 GLN 89 0.473 3.976 11.482 659 HG2 GLN 89 HG2 GLN 89 1.397 5.896 12.228 660 HG3 GLN 89 HG1 GLN 89 0.414 5.517 13.641 661 HE21 GLN 89 HE21 GLN 89 1.550 4.133 15.296 662 HE22 GLN 89 HE22 GLN 89 3.196 4.528 15.640 663 H VAL 90 HN VAL 90 -0.630 4.447 15.294 664 HA VAL 90 HA VAL 90 -3.358 4.956 14.304 665 HB VAL 90 HB VAL 90 -2.407 5.205 17.158 666 HG11 VAL 90 HG11 VAL 90 -4.320 6.518 16.920 667 HG12 VAL 90 HG12 VAL 90 -4.940 4.979 17.518 668 HG13 VAL 90 HG13 VAL 90 -5.078 5.380 15.806 669 HG21 VAL 90 HG21 VAL 90 -3.680 2.893 15.718 670 HG22 VAL 90 HG22 VAL 90 -3.755 3.076 17.470 671 HG23 VAL 90 HG23 VAL 90 -2.194 2.908 16.667 672 H VAL 91 HN VAL 91 -3.699 6.923 13.540 673 HA VAL 91 HA VAL 91 -2.793 9.264 14.940 674 HB VAL 91 HB VAL 91 -1.710 10.225 12.831 675 HG11 VAL 91 HG11 VAL 91 -0.140 7.995 14.092 676 HG12 VAL 91 HG12 VAL 91 -0.566 9.463 14.973 677 HG13 VAL 91 HG13 VAL 91 0.436 9.563 13.525 678 HG21 VAL 91 HG21 VAL 91 -0.936 7.459 12.099 679 HG22 VAL 91 HG22 VAL 91 -1.091 8.898 11.092 680 HG23 VAL 91 HG23 VAL 91 -2.532 8.015 11.595 681 H SER 92 HN SER 92 -4.812 10.094 15.031 682 HA SER 92 HA SER 92 -6.748 11.090 14.372 683 HB2 SER 92 HB2 SER 92 -5.237 11.426 11.770 684 HB3 SER 92 HB1 SER 92 -6.738 12.254 12.183 685 HG SER 92 HG SER 92 -4.166 12.758 13.002 686 H GLY 93 HN GLY 93 -6.284 8.176 13.921 687 HA2 GLY 93 HA2 GLY 93 -8.632 7.226 13.135 688 HA3 GLY 93 HA1 GLY 93 -7.917 7.606 11.575 689 H MET 94 HN MET 94 -6.819 6.034 10.615 690 HA MET 94 HA MET 94 -5.350 4.095 12.220 691 HB2 MET 94 HB2 MET 94 -7.540 3.353 10.278 692 HB3 MET 94 HB1 MET 94 -6.336 2.213 10.862 693 HG2 MET 94 HG2 MET 94 -8.075 3.769 12.741 694 HG3 MET 94 HG1 MET 94 -8.606 2.252 12.018 695 HE1 MET 94 HE1 MET 94 -7.026 2.467 15.908 696 HE2 MET 94 HE2 MET 94 -7.923 3.600 14.897 697 HE3 MET 94 HE3 MET 94 -6.165 3.708 14.997 698 H MET 95 HN MET 95 -3.369 4.130 11.410 699 HA MET 95 HA MET 95 -3.038 4.434 8.498 700 HB2 MET 95 HB2 MET 95 -2.000 6.029 10.470 701 HB3 MET 95 HB1 MET 95 -0.675 4.911 10.179 702 HG2 MET 95 HG2 MET 95 -0.582 5.513 7.871 703 HG3 MET 95 HG1 MET 95 -2.053 6.474 8.012 704 HE1 MET 95 HE1 MET 95 -1.579 9.493 9.252 705 HE2 MET 95 HE2 MET 95 -2.123 8.491 7.907 706 HE3 MET 95 HE3 MET 95 -0.734 9.558 7.706 707 H HIS 96 HN HIS 96 -1.817 2.974 7.386 708 HA HIS 96 HA HIS 96 -0.632 0.771 8.944 709 HB2 HIS 96 HB2 HIS 96 -2.783 0.177 7.770 710 HB3 HIS 96 HB1 HIS 96 -1.956 0.473 6.245 711 HD1 HIS 96 HD1 HIS 96 -2.832 -2.208 8.372 712 HD2 HIS 96 HD2 HIS 96 0.567 -1.248 6.183 713 HE1 HIS 96 HE1 HIS 96 -1.574 -4.368 8.103 714 HE2 HIS 96 HE2 HIS 96 0.521 -3.747 6.850 715 H TYR 97 HN TYR 97 1.451 0.434 8.585 716 HA TYR 97 HA TYR 97 2.674 1.619 6.185 717 HB2 TYR 97 HB2 TYR 97 3.771 1.025 8.931 718 HB3 TYR 97 HB1 TYR 97 4.824 1.356 7.559 719 HD1 TYR 97 HD2 TYR 97 1.650 2.894 8.821 720 HD2 TYR 97 HD1 TYR 97 5.711 3.476 7.692 721 HE1 TYR 97 HE2 TYR 97 1.411 5.307 9.227 722 HE2 TYR 97 HE1 TYR 97 5.483 5.890 8.097 723 HH TYR 97 HH TYR 97 2.739 7.481 8.239 724 H LEU 98 HN LEU 98 2.482 -0.028 4.712 725 HA LEU 98 HA LEU 98 3.772 -2.581 5.432 726 HB2 LEU 98 HB2 LEU 98 2.343 -3.696 3.858 727 HB3 LEU 98 HB1 LEU 98 1.354 -2.766 4.968 728 HG LEU 98 HG LEU 98 2.021 -1.268 2.556 729 HD11 LEU 98 HD11 LEU 98 0.567 -2.535 1.053 730 HD12 LEU 98 HD12 LEU 98 0.420 -3.806 2.267 731 HD13 LEU 98 HD13 LEU 98 1.985 -3.470 1.527 732 HD21 LEU 98 HD21 LEU 98 -0.429 -1.956 4.137 733 HD22 LEU 98 HD22 LEU 98 -0.552 -1.152 2.572 734 HD23 LEU 98 HD23 LEU 98 0.334 -0.385 3.890 735 H THR 99 HN THR 99 5.284 -3.449 4.074 736 HA THR 99 HA THR 99 6.148 -1.729 1.844 737 HB THR 99 HB THR 99 7.963 -3.750 3.089 738 HG1 THR 99 HG1 THR 99 8.572 -2.155 4.626 739 HG21 THR 99 HG21 THR 99 8.396 -2.012 1.104 740 HG22 THR 99 HG22 THR 99 9.653 -2.553 2.216 741 HG23 THR 99 HG23 THR 99 8.845 -1.008 2.483 742 H VAL 100 HN VAL 100 6.448 -2.605 -0.159 743 HA VAL 100 HA VAL 100 6.193 -5.506 -0.454 744 HB VAL 100 HB VAL 100 4.488 -5.420 -2.071 745 HG11 VAL 100 HG11 VAL 100 3.876 -4.918 0.386 746 HG12 VAL 100 HG12 VAL 100 2.650 -4.686 -0.860 747 HG13 VAL 100 HG13 VAL 100 3.512 -3.296 -0.203 748 HG21 VAL 100 HG21 VAL 100 4.588 -3.770 -3.572 749 HG22 VAL 100 HG22 VAL 100 5.380 -2.673 -2.441 750 HG23 VAL 100 HG23 VAL 100 3.624 -2.830 -2.433 751 H GLU 101 HN GLU 101 6.881 -6.300 -2.563 752 HA GLU 101 HA GLU 101 9.115 -4.732 -3.570 753 HB2 GLU 101 HB2 GLU 101 8.253 -7.593 -3.871 754 HB3 GLU 101 HB1 GLU 101 9.454 -6.904 -4.955 755 HG2 GLU 101 HG2 GLU 101 10.993 -6.574 -3.236 756 HG3 GLU 101 HG1 GLU 101 9.763 -6.736 -1.982 757 H VAL 102 HN VAL 102 9.200 -3.774 -5.520 758 HA VAL 102 HA VAL 102 6.915 -4.187 -7.336 759 HB VAL 102 HB VAL 102 8.414 -1.594 -6.993 760 HG11 VAL 102 HG11 VAL 102 6.022 -0.947 -8.041 761 HG12 VAL 102 HG12 VAL 102 6.242 -2.550 -8.741 762 HG13 VAL 102 HG13 VAL 102 7.452 -1.295 -9.011 763 HG21 VAL 102 HG21 VAL 102 7.339 -1.619 -4.983 764 HG22 VAL 102 HG22 VAL 102 6.067 -2.700 -5.551 765 HG23 VAL 102 HG23 VAL 102 6.034 -0.992 -5.989 766 H ASN 103 HN ASN 103 7.302 -4.023 -9.567 767 HA ASN 103 HA ASN 103 10.131 -4.115 -10.371 768 HB2 ASN 103 HB2 ASN 103 9.110 -6.395 -10.317 769 HB3 ASN 103 HB1 ASN 103 7.936 -5.855 -11.514 770 HD21 ASN 103 HD21 ASN 103 10.849 -7.356 -11.062 771 HD22 ASN 103 HD22 ASN 103 11.488 -7.209 -12.660 772 H ASP 104 HN ASP 104 10.613 -3.306 -12.439 773 HA ASP 104 HA ASP 104 8.480 -2.165 -14.041 774 HB2 ASP 104 HB2 ASP 104 9.344 -0.517 -12.156 775 HB3 ASP 104 HB1 ASP 104 10.658 -0.261 -13.300 776 H ALA 105 HN ALA 105 8.981 -2.996 -15.961 777 HA ALA 105 HA ALA 105 10.145 -3.616 -17.818 778 HB1 ALA 105 HB1 ALA 105 11.367 -1.953 -18.805 779 HB2 ALA 105 HB2 ALA 105 12.192 -1.518 -17.309 780 HB3 ALA 105 HB3 ALA 105 10.520 -1.022 -17.570 781 H GLY 106 HN GLY 106 10.907 -4.823 -15.249 782 HA2 GLY 106 HA2 GLY 106 12.430 -6.692 -15.153 783 HA3 GLY 106 HA1 GLY 106 13.594 -5.730 -16.052 784 H LYS 107 HN LYS 107 13.008 -3.345 -14.366 785 HA LYS 107 HA LYS 107 15.007 -3.805 -12.395 786 HB2 LYS 107 HB2 LYS 107 13.286 -1.514 -13.206 787 HB3 LYS 107 HB1 LYS 107 14.018 -1.457 -11.608 788 HG2 LYS 107 HG2 LYS 107 16.195 -1.478 -12.484 789 HG3 LYS 107 HG1 LYS 107 15.635 -1.985 -14.079 790 HD2 LYS 107 HD2 LYS 107 16.184 0.337 -14.204 791 HD3 LYS 107 HD1 LYS 107 14.425 0.198 -14.257 792 HE2 LYS 107 HE2 LYS 107 15.693 0.539 -11.598 793 HE3 LYS 107 HE1 LYS 107 15.680 1.935 -12.674 794 HZ1 LYS 107 HZ1 LYS 107 13.191 0.432 -12.266 795 HZ2 LYS 107 HZ2 LYS 107 13.410 2.071 -12.619 796 HZ3 LYS 107 HZ3 LYS 107 13.707 1.497 -11.057 797 H LYS 108 HN LYS 108 14.636 -5.020 -10.661 798 HA LYS 108 HA LYS 108 12.010 -4.887 -9.357 799 HB2 LYS 108 HB2 LYS 108 12.778 -7.122 -9.998 800 HB3 LYS 108 HB1 LYS 108 14.245 -6.900 -9.055 801 HG2 LYS 108 HG2 LYS 108 13.041 -8.089 -7.553 802 HG3 LYS 108 HG1 LYS 108 12.483 -6.472 -7.119 803 HD2 LYS 108 HD2 LYS 108 10.546 -6.788 -8.638 804 HD3 LYS 108 HD1 LYS 108 11.086 -8.443 -8.926 805 HE2 LYS 108 HE2 LYS 108 10.863 -7.733 -6.096 806 HE3 LYS 108 HE1 LYS 108 9.336 -7.666 -6.975 807 HZ1 LYS 108 HZ1 LYS 108 9.426 -9.903 -7.471 808 HZ2 LYS 108 HZ2 LYS 108 10.073 -9.873 -5.909 809 HZ3 LYS 108 HZ3 LYS 108 11.100 -10.011 -7.246 810 H LYS 109 HN LYS 109 11.780 -4.357 -7.208 811 HA LYS 109 HA LYS 109 14.001 -3.990 -5.457 812 HB2 LYS 109 HB2 LYS 109 12.915 -1.663 -6.948 813 HB3 LYS 109 HB1 LYS 109 13.246 -1.425 -5.237 814 HG2 LYS 109 HG2 LYS 109 15.553 -2.493 -5.832 815 HG3 LYS 109 HG1 LYS 109 15.132 -1.996 -7.472 816 HD2 LYS 109 HD2 LYS 109 14.608 0.296 -6.361 817 HD3 LYS 109 HD1 LYS 109 15.616 -0.312 -5.046 818 HE2 LYS 109 HE2 LYS 109 16.842 1.054 -6.736 819 HE3 LYS 109 HE1 LYS 109 17.489 -0.569 -6.505 820 HZ1 LYS 109 HZ1 LYS 109 15.519 -0.098 -8.633 821 HZ2 LYS 109 HZ2 LYS 109 16.751 -1.253 -8.550 822 HZ3 LYS 109 HZ3 LYS 109 17.128 0.361 -8.884 823 H LEU 110 HN LEU 110 13.214 -2.675 -3.438 824 HA LEU 110 HA LEU 110 10.457 -3.530 -2.850 825 HB2 LEU 110 HB2 LEU 110 11.904 -4.902 -1.575 826 HB3 LEU 110 HB1 LEU 110 12.929 -3.550 -1.138 827 HG LEU 110 HG LEU 110 11.294 -2.693 0.386 828 HD11 LEU 110 HD11 LEU 110 9.484 -4.657 -0.950 829 HD12 LEU 110 HD12 LEU 110 9.218 -2.953 -0.585 830 HD13 LEU 110 HD13 LEU 110 9.168 -4.149 0.709 831 HD21 LEU 110 HD21 LEU 110 12.712 -4.796 0.940 832 HD22 LEU 110 HD22 LEU 110 11.161 -5.634 0.903 833 HD23 LEU 110 HD23 LEU 110 11.419 -4.307 2.035 834 H TYR 111 HN TYR 111 9.094 -1.925 -2.463 835 HA TYR 111 HA TYR 111 10.168 0.605 -1.403 836 HB2 TYR 111 HB2 TYR 111 7.741 0.374 -3.180 837 HB3 TYR 111 HB1 TYR 111 8.611 1.835 -2.726 838 HD1 TYR 111 HD1 TYR 111 11.428 0.697 -3.185 839 HD2 TYR 111 HD2 TYR 111 7.881 0.624 -5.538 840 HE1 TYR 111 HE1 TYR 111 12.789 0.517 -5.224 841 HE2 TYR 111 HE2 TYR 111 9.235 0.443 -7.582 842 HH TYR 111 HH TYR 111 12.612 0.954 -7.603 843 H GLU 112 HN GLU 112 9.052 1.623 0.219 844 HA GLU 112 HA GLU 112 7.080 -0.021 1.602 845 HB2 GLU 112 HB2 GLU 112 9.223 1.360 2.539 846 HB3 GLU 112 HB1 GLU 112 7.938 2.527 2.818 847 HG2 GLU 112 HG2 GLU 112 6.852 0.187 3.754 848 HG3 GLU 112 HG1 GLU 112 8.549 0.048 4.208 849 H ALA 113 HN ALA 113 5.009 0.591 2.024 850 HA ALA 113 HA ALA 113 4.116 3.184 0.952 851 HB1 ALA 113 HB1 ALA 113 2.228 0.919 0.757 852 HB2 ALA 113 HB2 ALA 113 3.599 0.903 -0.353 853 HB3 ALA 113 HB3 ALA 113 2.492 2.276 -0.338 854 H LYS 114 HN LYS 114 2.826 4.335 2.265 855 HA LYS 114 HA LYS 114 1.702 2.965 4.619 856 HB2 LYS 114 HB2 LYS 114 1.949 5.268 5.741 857 HB3 LYS 114 HB1 LYS 114 3.392 4.284 5.543 858 HG2 LYS 114 HG2 LYS 114 3.717 5.621 3.359 859 HG3 LYS 114 HG1 LYS 114 2.582 6.760 4.084 860 HD2 LYS 114 HD2 LYS 114 4.549 7.633 4.855 861 HD3 LYS 114 HD1 LYS 114 4.198 6.498 6.158 862 HE2 LYS 114 HE2 LYS 114 6.236 5.668 5.794 863 HE3 LYS 114 HE1 LYS 114 5.563 4.956 4.328 864 HZ1 LYS 114 HZ1 LYS 114 6.545 6.503 3.014 865 HZ2 LYS 114 HZ2 LYS 114 7.671 6.508 4.276 866 HZ3 LYS 114 HZ3 LYS 114 6.497 7.722 4.187 867 H VAL 115 HN VAL 115 -0.430 2.925 4.563 868 HA VAL 115 HA VAL 115 -1.857 5.058 3.127 869 HB VAL 115 HB VAL 115 -2.962 2.369 3.936 870 HG11 VAL 115 HG11 VAL 115 -4.604 4.157 3.517 871 HG12 VAL 115 HG12 VAL 115 -4.707 2.857 2.330 872 HG13 VAL 115 HG13 VAL 115 -3.925 4.379 1.905 873 HG21 VAL 115 HG21 VAL 115 -1.454 3.213 1.495 874 HG22 VAL 115 HG22 VAL 115 -2.701 1.971 1.380 875 HG23 VAL 115 HG23 VAL 115 -1.314 1.732 2.443 876 H TRP 116 HN TRP 116 -3.705 6.016 4.041 877 HA TRP 116 HA TRP 116 -3.969 5.669 6.955 878 HB2 TRP 116 HB2 TRP 116 -2.828 7.785 6.363 879 HB3 TRP 116 HB1 TRP 116 -4.226 8.254 5.409 880 HD1 TRP 116 HD1 TRP 116 -3.998 6.908 9.051 881 HE1 TRP 116 HE1 TRP 116 -5.301 8.532 10.566 882 HE3 TRP 116 HE3 TRP 116 -5.379 10.360 5.542 883 HZ2 TRP 116 HZ2 TRP 116 -6.725 10.957 10.304 884 HZ3 TRP 116 HZ3 TRP 116 -6.712 12.301 6.256 885 HH2 TRP 116 HH2 TRP 116 -7.372 12.591 8.589 886 H GLU 117 HN GLU 117 -6.014 5.715 7.822 887 HA GLU 117 HA GLU 117 -8.304 6.295 6.143 888 HB2 GLU 117 HB2 GLU 117 -7.858 3.958 5.590 889 HB3 GLU 117 HB1 GLU 117 -7.850 3.537 7.297 890 HG2 GLU 117 HG2 GLU 117 -10.137 3.756 7.500 891 HG3 GLU 117 HG1 GLU 117 -10.266 4.807 6.091 892 H GLN 118 HN GLN 118 -9.707 7.391 7.348 893 HA GLN 118 HA GLN 118 -9.554 7.151 10.260 894 HB2 GLN 118 HB2 GLN 118 -11.212 9.199 8.834 895 HB3 GLN 118 HB1 GLN 118 -10.435 9.297 10.406 896 HG2 GLN 118 HG2 GLN 118 -9.070 10.663 9.216 897 HG3 GLN 118 HG1 GLN 118 -8.243 9.126 8.968 898 HE21 GLN 118 HE21 GLN 118 -7.611 8.828 6.968 899 HE22 GLN 118 HE22 GLN 118 -8.410 9.393 5.544 900 H VAL 119 HN VAL 119 -11.781 7.581 11.353 901 HA VAL 119 HA VAL 119 -13.742 5.767 10.106 902 HB VAL 119 HB VAL 119 -12.745 4.848 12.159 903 HG11 VAL 119 HG11 VAL 119 -13.129 5.875 14.317 904 HG12 VAL 119 HG12 VAL 119 -13.991 7.213 13.556 905 HG13 VAL 119 HG13 VAL 119 -12.265 6.997 13.265 906 HG21 VAL 119 HG21 VAL 119 -15.133 4.917 13.452 907 HG22 VAL 119 HG22 VAL 119 -14.769 3.876 12.075 908 HG23 VAL 119 HG23 VAL 119 -15.608 5.407 11.826 909 H TRP 120 HN TRP 120 -13.298 8.731 11.959 910 HA TRP 120 HA TRP 120 -16.121 9.358 11.926 911 HB2 TRP 120 HB2 TRP 120 -15.383 11.495 12.991 912 HB3 TRP 120 HB1 TRP 120 -14.859 10.054 13.857 913 HD1 TRP 120 HD1 TRP 120 -13.482 12.902 11.683 914 HE1 TRP 120 HE1 TRP 120 -10.938 13.047 12.046 915 HE3 TRP 120 HE3 TRP 120 -12.831 8.719 14.548 916 HZ2 TRP 120 HZ2 TRP 120 -8.923 11.582 13.371 917 HZ3 TRP 120 HZ3 TRP 120 -10.563 8.160 15.322 918 HH2 TRP 120 HH2 TRP 120 -8.651 9.563 14.744 919 H MET 121 HN MET 121 -13.392 9.903 9.910 920 HA MET 121 HA MET 121 -14.708 12.114 8.514 921 HB2 MET 121 HB2 MET 121 -12.333 12.396 9.056 922 HB3 MET 121 HB1 MET 121 -11.946 10.931 8.166 923 HG2 MET 121 HG2 MET 121 -11.651 12.158 6.356 924 HG3 MET 121 HG1 MET 121 -13.367 12.557 6.383 925 HE1 MET 121 HE1 MET 121 -10.653 14.133 5.342 926 HE2 MET 121 HE2 MET 121 -9.735 13.901 6.830 927 HE3 MET 121 HE3 MET 121 -10.210 15.524 6.331 928 H ASN 122 HN ASN 122 -13.994 8.744 8.236 929 HA ASN 122 HA ASN 122 -14.550 7.168 6.704 930 HB2 ASN 122 HB2 ASN 122 -16.498 9.354 6.127 931 HB3 ASN 122 HB1 ASN 122 -16.369 8.033 4.970 932 HD21 ASN 122 HD21 ASN 122 -16.258 8.232 8.512 933 HD22 ASN 122 HD22 ASN 122 -17.491 7.054 8.786 934 H PHE 123 HN PHE 123 -12.222 8.515 6.204 935 HA PHE 123 HA PHE 123 -12.182 8.566 3.264 936 HB2 PHE 123 HB2 PHE 123 -11.807 10.807 4.824 937 HB3 PHE 123 HB1 PHE 123 -10.158 10.266 4.531 938 HD1 PHE 123 HD2 PHE 123 -9.958 9.384 1.907 939 HD2 PHE 123 HD1 PHE 123 -12.473 12.470 3.410 940 HE1 PHE 123 HE2 PHE 123 -10.015 10.419 -0.324 941 HE2 PHE 123 HE1 PHE 123 -12.536 13.510 1.181 942 HZ PHE 123 HZ PHE 123 -11.305 12.484 -0.690 943 H ARG 124 HN ARG 124 -10.514 7.510 2.303 944 HA ARG 124 HA ARG 124 -8.267 6.595 3.922 945 HB2 ARG 124 HB2 ARG 124 -9.912 4.801 4.133 946 HB3 ARG 124 HB1 ARG 124 -10.073 4.719 2.385 947 HG2 ARG 124 HG2 ARG 124 -7.362 4.355 3.523 948 HG3 ARG 124 HG1 ARG 124 -8.531 3.054 3.753 949 HD2 ARG 124 HD2 ARG 124 -8.963 3.255 1.237 950 HD3 ARG 124 HD1 ARG 124 -7.474 4.198 1.186 951 HE ARG 124 HE ARG 124 -6.322 2.242 1.328 952 HH11 ARG 124 HH11 ARG 124 -9.509 1.716 2.647 953 HH12 ARG 124 HH12 ARG 124 -9.256 0.024 2.912 954 HH21 ARG 124 HH21 ARG 124 -5.987 0.017 1.676 955 HH22 ARG 124 HH22 ARG 124 -7.257 -0.941 2.361 956 H GLN 125 HN GLN 125 -6.419 6.786 2.826 957 HA GLN 125 HA GLN 125 -6.229 6.225 0.022 958 HB2 GLN 125 HB2 GLN 125 -5.567 8.444 -0.722 959 HB3 GLN 125 HB1 GLN 125 -7.194 8.489 -0.057 960 HG2 GLN 125 HG2 GLN 125 -4.740 9.262 1.498 961 HG3 GLN 125 HG1 GLN 125 -5.720 10.404 0.579 962 HE21 GLN 125 HE21 GLN 125 -5.253 8.967 3.544 963 HE22 GLN 125 HE22 GLN 125 -6.764 9.367 4.280 964 H LEU 126 HN LEU 126 -3.954 6.922 -0.792 965 HA LEU 126 HA LEU 126 -2.055 5.796 1.042 966 HB2 LEU 126 HB2 LEU 126 -1.874 5.239 -1.287 967 HB3 LEU 126 HB1 LEU 126 -1.784 6.930 -1.739 968 HG LEU 126 HG LEU 126 0.340 6.113 0.104 969 HD11 LEU 126 HD11 LEU 126 0.736 4.127 -0.870 970 HD12 LEU 126 HD12 LEU 126 1.446 5.109 -2.152 971 HD13 LEU 126 HD13 LEU 126 -0.210 4.524 -2.304 972 HD21 LEU 126 HD21 LEU 126 0.631 7.273 -2.644 973 HD22 LEU 126 HD22 LEU 126 1.651 7.505 -1.224 974 HD23 LEU 126 HD23 LEU 126 0.055 8.253 -1.295 975 H GLN 127 HN GLN 127 -0.427 6.797 2.140 976 HA GLN 127 HA GLN 127 -0.605 9.712 2.308 977 HB2 GLN 127 HB2 GLN 127 0.053 7.553 4.173 978 HB3 GLN 127 HB1 GLN 127 1.150 8.922 4.278 979 HG2 GLN 127 HG2 GLN 127 -0.848 8.959 5.813 980 HG3 GLN 127 HG1 GLN 127 -0.579 10.405 4.841 981 HE21 GLN 127 HE21 GLN 127 -1.956 7.352 3.762 982 HE22 GLN 127 HE22 GLN 127 -3.523 7.978 3.391 983 H GLU 128 HN GLU 128 1.979 7.241 2.305 984 HA GLU 128 HA GLU 128 3.543 8.933 0.522 985 HB2 GLU 128 HB2 GLU 128 4.942 7.850 2.937 986 HB3 GLU 128 HB1 GLU 128 5.403 9.183 1.890 987 HG2 GLU 128 HG2 GLU 128 3.014 9.316 3.700 988 HG3 GLU 128 HG1 GLU 128 4.634 9.765 4.229 989 H PHE 129 HN PHE 129 5.359 7.848 -0.432 990 HA PHE 129 HA PHE 129 5.409 4.935 -0.157 991 HB2 PHE 129 HB2 PHE 129 3.906 5.825 -2.113 992 HB3 PHE 129 HB1 PHE 129 5.446 6.127 -2.910 993 HD1 PHE 129 HD2 PHE 129 6.880 4.292 -3.585 994 HD2 PHE 129 HD1 PHE 129 3.124 3.582 -1.713 995 HE1 PHE 129 HE2 PHE 129 6.969 1.942 -4.308 996 HE2 PHE 129 HE1 PHE 129 3.207 1.230 -2.431 997 HZ PHE 129 HZ PHE 129 5.131 0.407 -3.731 998 H THR 130 HN THR 130 7.449 4.645 0.508 999 HA THR 130 HA THR 130 9.590 6.235 -0.705 1000 HB THR 130 HB THR 130 10.932 5.685 1.159 1001 HG1 THR 130 HG1 THR 130 9.084 3.595 1.583 1002 HG21 THR 130 HG21 THR 130 8.794 7.094 1.632 1003 HG22 THR 130 HG22 THR 130 9.808 6.535 2.962 1004 HG23 THR 130 HG23 THR 130 8.314 5.682 2.573 1005 H TYR 131 HN TYR 131 11.459 5.273 -1.573 1006 HA TYR 131 HA TYR 131 11.018 2.535 -2.549 1007 HB2 TYR 131 HB2 TYR 131 12.654 3.153 -4.340 1008 HB3 TYR 131 HB1 TYR 131 11.178 4.112 -4.357 1009 HD1 TYR 131 HD2 TYR 131 11.222 6.462 -3.580 1010 HD2 TYR 131 HD1 TYR 131 14.782 4.159 -3.921 1011 HE1 TYR 131 HE2 TYR 131 12.557 8.525 -3.497 1012 HE2 TYR 131 HE1 TYR 131 16.128 6.215 -3.838 1013 HH TYR 131 HH TYR 131 15.338 8.959 -4.509 1014 H LEU 132 HN LEU 132 12.079 1.075 -1.381 1015 HA LEU 132 HA LEU 132 14.589 1.772 -0.087 1016 HB2 LEU 132 HB2 LEU 132 13.390 -0.954 0.073 1017 HB3 LEU 132 HB1 LEU 132 14.288 -0.062 1.285 1018 HG LEU 132 HG LEU 132 11.411 0.358 0.483 1019 HD11 LEU 132 HD11 LEU 132 10.981 -0.219 2.830 1020 HD12 LEU 132 HD12 LEU 132 12.702 -0.525 3.060 1021 HD13 LEU 132 HD13 LEU 132 11.767 -1.533 1.956 1022 HD21 LEU 132 HD21 LEU 132 11.616 1.975 2.543 1023 HD22 LEU 132 HD22 LEU 132 12.008 2.528 0.915 1024 HD23 LEU 132 HD23 LEU 132 13.299 2.069 2.025 1025 H GLY 133 HN GLY 133 15.982 -0.534 -0.012 1026 HA2 GLY 133 HA2 GLY 133 16.800 -0.834 -2.820 1027 HA3 GLY 133 HA1 GLY 133 17.819 -1.137 -1.421 1028 H ASP 134 HN ASP 134 15.150 -2.368 -3.341 1029 HA ASP 134 HA ASP 134 14.213 -4.433 -3.552 1030 HB2 ASP 134 HB2 ASP 134 15.765 -6.210 -4.002 1031 HB3 ASP 134 HB1 ASP 134 16.460 -4.713 -4.613 1032 H ALA 135 HN ALA 135 14.399 -6.845 -2.550 1033 HA ALA 135 HA ALA 135 14.323 -6.525 0.379 1034 HB1 ALA 135 HB1 ALA 135 12.102 -6.833 -1.116 1035 HB2 ALA 135 HB2 ALA 135 12.254 -7.404 0.546 1036 HB3 ALA 135 HB3 ALA 135 12.504 -8.520 -0.797 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 12.897 3.020 17.832 2 H2 MET 1 HT2 MET 1 11.862 1.701 17.469 3 H3 MET 1 HT3 MET 1 11.218 3.285 17.616 4 HA MET 1 HA MET 1 13.012 2.245 15.532 5 HB2 MET 1 HB2 MET 1 10.331 2.032 15.743 6 HB3 MET 1 HB1 MET 1 10.438 3.616 14.988 7 HG2 MET 1 HG2 MET 1 10.170 1.887 13.320 8 HG3 MET 1 HG1 MET 1 11.745 2.663 13.162 9 HE1 MET 1 HE1 MET 1 10.596 -1.470 14.466 10 HE2 MET 1 HE2 MET 1 10.541 -1.126 12.737 11 HE3 MET 1 HE3 MET 1 9.624 -0.126 13.865 12 H ALA 2 HN ALA 2 13.232 3.874 13.731 13 HA ALA 2 HA ALA 2 14.538 6.165 14.637 14 HB1 ALA 2 HB1 ALA 2 13.604 5.197 11.988 15 HB2 ALA 2 HB2 ALA 2 15.231 5.594 12.540 16 HB3 ALA 2 HB3 ALA 2 14.100 6.883 12.131 17 H ASP 3 HN ASP 3 11.186 5.608 13.943 18 HA ASP 3 HA ASP 3 9.328 6.891 14.211 19 HB2 ASP 3 HB2 ASP 3 11.105 8.918 15.572 20 HB3 ASP 3 HB1 ASP 3 9.370 8.700 15.779 21 H GLU 4 HN GLU 4 11.087 7.196 11.878 22 HA GLU 4 HA GLU 4 10.774 10.003 11.154 23 HB2 GLU 4 HB2 GLU 4 12.823 8.472 10.629 24 HB3 GLU 4 HB1 GLU 4 11.824 7.889 9.304 25 HG2 GLU 4 HG2 GLU 4 12.355 10.810 9.713 26 HG3 GLU 4 HG1 GLU 4 13.466 9.774 8.819 27 H GLN 5 HN GLN 5 9.582 6.815 10.235 28 HA GLN 5 HA GLN 5 7.962 7.780 8.084 29 HB2 GLN 5 HB2 GLN 5 8.864 5.300 8.895 30 HB3 GLN 5 HB1 GLN 5 7.145 5.229 9.260 31 HG2 GLN 5 HG2 GLN 5 6.894 4.617 7.138 32 HG3 GLN 5 HG1 GLN 5 7.164 6.316 6.752 33 HE21 GLN 5 HE21 GLN 5 9.328 3.703 7.783 34 HE22 GLN 5 HE22 GLN 5 10.413 3.840 6.446 35 HA PRO 6 HA PRO 6 4.372 7.289 11.222 36 HB2 PRO 6 HB2 PRO 6 4.896 6.731 13.797 37 HB3 PRO 6 HB1 PRO 6 4.799 5.462 12.571 38 HG2 PRO 6 HG2 PRO 6 7.212 6.751 13.778 39 HG3 PRO 6 HG1 PRO 6 6.925 5.043 13.402 40 HD2 PRO 6 HD2 PRO 6 8.381 6.739 11.815 41 HD3 PRO 6 HD1 PRO 6 7.538 5.299 11.212 42 H LYS 7 HN LYS 7 3.663 8.423 13.455 43 HA LYS 7 HA LYS 7 3.263 10.498 14.324 44 HB2 LYS 7 HB2 LYS 7 5.091 11.398 15.620 45 HB3 LYS 7 HB1 LYS 7 5.118 9.643 15.726 46 HG2 LYS 7 HG2 LYS 7 7.001 9.471 14.355 47 HG3 LYS 7 HG1 LYS 7 6.815 11.116 13.743 48 HD2 LYS 7 HD2 LYS 7 7.080 11.602 16.388 49 HD3 LYS 7 HD1 LYS 7 8.064 10.145 16.230 50 HE2 LYS 7 HE2 LYS 7 9.686 11.602 15.672 51 HE3 LYS 7 HE1 LYS 7 8.915 11.553 14.087 52 HZ1 LYS 7 HZ1 LYS 7 8.394 13.563 16.212 53 HZ2 LYS 7 HZ2 LYS 7 7.627 13.511 14.705 54 HZ3 LYS 7 HZ3 LYS 7 9.287 13.822 14.798 55 H LYS 8 HN LYS 8 3.445 10.580 11.526 56 HA LYS 8 HA LYS 8 4.471 13.310 11.159 57 HB2 LYS 8 HB2 LYS 8 5.019 10.884 9.502 58 HB3 LYS 8 HB1 LYS 8 4.897 12.446 8.703 59 HG2 LYS 8 HG2 LYS 8 6.598 13.205 10.517 60 HG3 LYS 8 HG1 LYS 8 6.922 11.477 10.666 61 HD2 LYS 8 HD2 LYS 8 8.468 12.107 9.071 62 HD3 LYS 8 HD1 LYS 8 7.118 11.574 8.068 63 HE2 LYS 8 HE2 LYS 8 7.076 14.411 8.856 64 HE3 LYS 8 HE1 LYS 8 8.388 13.943 7.775 65 HZ1 LYS 8 HZ1 LYS 8 6.523 12.828 6.431 66 HZ2 LYS 8 HZ2 LYS 8 6.687 14.509 6.339 67 HZ3 LYS 8 HZ3 LYS 8 5.479 13.830 7.309 68 HA PRO 9 HA PRO 9 0.541 14.218 9.390 69 HB2 PRO 9 HB2 PRO 9 1.168 16.026 7.466 70 HB3 PRO 9 HB1 PRO 9 1.231 16.402 9.192 71 HG2 PRO 9 HG2 PRO 9 3.457 15.663 7.331 72 HG3 PRO 9 HG1 PRO 9 3.414 16.921 8.581 73 HD2 PRO 9 HD2 PRO 9 4.607 14.522 8.970 74 HD3 PRO 9 HD1 PRO 9 3.819 15.420 10.283 75 H VAL 10 HN VAL 10 -0.547 14.526 7.126 76 HA VAL 10 HA VAL 10 0.525 12.519 5.257 77 HB VAL 10 HB VAL 10 -1.614 11.556 4.897 78 HG11 VAL 10 HG11 VAL 10 -0.403 10.846 6.944 79 HG12 VAL 10 HG12 VAL 10 -2.149 10.618 7.040 80 HG13 VAL 10 HG13 VAL 10 -1.390 11.975 7.872 81 HG21 VAL 10 HG21 VAL 10 -3.594 12.425 6.306 82 HG22 VAL 10 HG22 VAL 10 -3.135 13.311 4.851 83 HG23 VAL 10 HG23 VAL 10 -2.647 13.908 6.437 84 HA PRO 11 HA PRO 11 -0.219 15.508 2.100 85 HB2 PRO 11 HB2 PRO 11 -0.660 13.952 -0.057 86 HB3 PRO 11 HB1 PRO 11 0.927 14.061 0.714 87 HG2 PRO 11 HG2 PRO 11 -1.172 11.944 0.988 88 HG3 PRO 11 HG1 PRO 11 0.584 11.764 0.817 89 HD2 PRO 11 HD2 PRO 11 -0.714 11.598 3.211 90 HD3 PRO 11 HD1 PRO 11 0.964 12.147 3.049 91 H ALA 12 HN ALA 12 -1.822 15.574 -0.036 92 HA ALA 12 HA ALA 12 -4.421 15.988 1.123 93 HB1 ALA 12 HB1 ALA 12 -4.951 17.169 -0.798 94 HB2 ALA 12 HB2 ALA 12 -3.856 16.223 -1.806 95 HB3 ALA 12 HB3 ALA 12 -3.208 17.409 -0.672 96 H ALA 13 HN ALA 13 -6.193 15.406 -0.856 97 HA ALA 13 HA ALA 13 -6.337 12.506 -0.664 98 HB1 ALA 13 HB1 ALA 13 -8.491 14.055 -1.985 99 HB2 ALA 13 HB2 ALA 13 -8.233 14.326 -0.262 100 HB3 ALA 13 HB3 ALA 13 -8.593 12.705 -0.856 101 H GLU 14 HN GLU 14 -6.942 11.197 -2.515 102 HA GLU 14 HA GLU 14 -6.474 12.292 -5.156 103 HB2 GLU 14 HB2 GLU 14 -4.265 11.411 -3.893 104 HB3 GLU 14 HB1 GLU 14 -4.826 9.896 -4.586 105 HG2 GLU 14 HG2 GLU 14 -4.271 10.495 -6.669 106 HG3 GLU 14 HG1 GLU 14 -4.820 12.155 -6.448 107 H GLU 15 HN GLU 15 -6.312 10.126 -6.689 108 HA GLU 15 HA GLU 15 -8.254 8.144 -5.818 109 HB2 GLU 15 HB2 GLU 15 -8.760 10.177 -7.955 110 HB3 GLU 15 HB1 GLU 15 -9.435 8.563 -8.130 111 HG2 GLU 15 HG2 GLU 15 -10.753 8.788 -6.201 112 HG3 GLU 15 HG1 GLU 15 -9.859 10.208 -5.659 113 H ALA 16 HN ALA 16 -8.724 6.702 -7.949 114 HA ALA 16 HA ALA 16 -6.076 5.788 -8.759 115 HB1 ALA 16 HB1 ALA 16 -8.053 4.335 -7.837 116 HB2 ALA 16 HB2 ALA 16 -6.994 3.711 -9.101 117 HB3 ALA 16 HB3 ALA 16 -8.579 4.359 -9.520 118 HA PRO 17 HA PRO 17 -6.313 7.258 -12.907 119 HB2 PRO 17 HB2 PRO 17 -5.100 5.264 -14.292 120 HB3 PRO 17 HB1 PRO 17 -4.216 6.379 -13.244 121 HG2 PRO 17 HG2 PRO 17 -5.154 3.592 -12.681 122 HG3 PRO 17 HG1 PRO 17 -3.598 4.349 -12.293 123 HD2 PRO 17 HD2 PRO 17 -5.569 4.053 -10.462 124 HD3 PRO 17 HD1 PRO 17 -4.442 5.424 -10.435 125 H ALA 18 HN ALA 18 -7.724 7.253 -14.575 126 HA ALA 18 HA ALA 18 -9.911 5.435 -14.549 127 HB1 ALA 18 HB1 ALA 18 -10.625 7.458 -15.303 128 HB2 ALA 18 HB2 ALA 18 -10.302 6.692 -16.859 129 HB3 ALA 18 HB3 ALA 18 -9.119 7.797 -16.157 130 H ALA 19 HN ALA 19 -7.055 5.811 -16.585 131 HA ALA 19 HA ALA 19 -7.823 3.868 -18.518 132 HB1 ALA 19 HB1 ALA 19 -4.961 4.527 -17.992 133 HB2 ALA 19 HB2 ALA 19 -6.034 5.767 -18.641 134 HB3 ALA 19 HB3 ALA 19 -5.790 4.260 -19.525 135 H GLU 20 HN GLU 20 -7.598 1.715 -18.522 136 HA GLU 20 HA GLU 20 -6.306 0.480 -16.189 137 HB2 GLU 20 HB2 GLU 20 -8.271 -0.790 -18.099 138 HB3 GLU 20 HB1 GLU 20 -7.709 -1.444 -16.567 139 HG2 GLU 20 HG2 GLU 20 -8.885 0.209 -15.334 140 HG3 GLU 20 HG1 GLU 20 -9.257 1.121 -16.797 141 H ALA 21 HN ALA 21 -4.613 -0.865 -16.416 142 HA ALA 21 HA ALA 21 -3.645 -1.349 -19.152 143 HB1 ALA 21 HB1 ALA 21 -1.423 -1.589 -18.167 144 HB2 ALA 21 HB2 ALA 21 -2.103 -1.335 -16.559 145 HB3 ALA 21 HB3 ALA 21 -2.140 -0.033 -17.749 146 H GLU 22 HN GLU 22 -2.484 -3.394 -19.520 147 HA GLU 22 HA GLU 22 -3.899 -5.598 -18.212 148 HB2 GLU 22 HB2 GLU 22 -2.397 -5.373 -20.814 149 HB3 GLU 22 HB1 GLU 22 -2.878 -6.928 -20.148 150 HG2 GLU 22 HG2 GLU 22 -5.040 -6.642 -20.684 151 HG3 GLU 22 HG1 GLU 22 -5.014 -4.918 -20.318 152 H ALA 23 HN ALA 23 -2.401 -7.718 -18.356 153 HA ALA 23 HA ALA 23 0.242 -7.074 -17.251 154 HB1 ALA 23 HB1 ALA 23 -1.416 -7.437 -15.409 155 HB2 ALA 23 HB2 ALA 23 -0.036 -8.535 -15.388 156 HB3 ALA 23 HB3 ALA 23 -1.598 -9.094 -15.984 157 H GLU 24 HN GLU 24 1.829 -8.635 -17.570 158 HA GLU 24 HA GLU 24 1.125 -10.697 -19.544 159 HB2 GLU 24 HB2 GLU 24 2.942 -8.792 -19.876 160 HB3 GLU 24 HB1 GLU 24 3.957 -9.931 -19.002 161 HG2 GLU 24 HG2 GLU 24 2.921 -11.596 -20.810 162 HG3 GLU 24 HG1 GLU 24 2.826 -10.092 -21.725 163 H GLU 25 HN GLU 25 3.106 -10.143 -16.649 164 HA GLU 25 HA GLU 25 2.715 -12.938 -15.904 165 HB2 GLU 25 HB2 GLU 25 5.339 -11.658 -16.513 166 HB3 GLU 25 HB1 GLU 25 5.265 -12.802 -15.180 167 HG2 GLU 25 HG2 GLU 25 4.491 -14.540 -16.637 168 HG3 GLU 25 HG1 GLU 25 4.346 -13.407 -17.980 169 H GLU 26 HN GLU 26 3.205 -13.364 -13.647 170 HA GLU 26 HA GLU 26 3.031 -12.900 -11.427 171 HB2 GLU 26 HB2 GLU 26 4.325 -10.271 -12.170 172 HB3 GLU 26 HB1 GLU 26 4.249 -10.977 -10.562 173 HG2 GLU 26 HG2 GLU 26 5.485 -12.626 -12.677 174 HG3 GLU 26 HG1 GLU 26 6.373 -11.194 -12.159 175 H GLU 27 HN GLU 27 0.712 -12.846 -11.719 176 HA GLU 27 HA GLU 27 -0.450 -10.147 -11.622 177 HB2 GLU 27 HB2 GLU 27 -1.434 -12.781 -12.598 178 HB3 GLU 27 HB1 GLU 27 -2.617 -11.677 -11.910 179 HG2 GLU 27 HG2 GLU 27 -0.723 -10.690 -13.989 180 HG3 GLU 27 HG1 GLU 27 -2.118 -11.658 -14.463 181 H GLY 28 HN GLY 28 -1.543 -13.287 -10.352 182 HA2 GLY 28 HA2 GLY 28 -1.214 -13.433 -7.803 183 HA3 GLY 28 HA1 GLY 28 -2.129 -11.933 -7.803 184 H LEU 29 HN LEU 29 -4.065 -12.392 -6.978 185 HA LEU 29 HA LEU 29 -5.360 -14.923 -7.576 186 HB2 LEU 29 HB2 LEU 29 -5.822 -12.696 -5.651 187 HB3 LEU 29 HB1 LEU 29 -7.182 -13.716 -6.080 188 HG LEU 29 HG LEU 29 -6.193 -14.534 -4.044 189 HD11 LEU 29 HD11 LEU 29 -6.087 -16.770 -4.586 190 HD12 LEU 29 HD12 LEU 29 -5.204 -16.476 -6.084 191 HD13 LEU 29 HD13 LEU 29 -6.925 -16.102 -5.987 192 HD21 LEU 29 HD21 LEU 29 -3.919 -15.142 -3.805 193 HD22 LEU 29 HD22 LEU 29 -3.926 -13.536 -4.533 194 HD23 LEU 29 HD23 LEU 29 -3.613 -14.956 -5.532 195 H HIS 30 HN HIS 30 -7.942 -14.523 -7.746 196 HA HIS 30 HA HIS 30 -8.390 -12.541 -9.871 197 HB2 HIS 30 HB2 HIS 30 -8.039 -14.808 -10.850 198 HB3 HIS 30 HB1 HIS 30 -9.424 -15.383 -9.928 199 HD1 HIS 30 HD1 HIS 30 -10.815 -15.939 -12.002 200 HD2 HIS 30 HD2 HIS 30 -9.614 -11.965 -11.819 201 HE1 HIS 30 HE1 HIS 30 -12.142 -14.753 -13.779 202 HE2 HIS 30 HE2 HIS 30 -11.335 -12.367 -13.707 203 H LEU 31 HN LEU 31 -9.465 -11.207 -8.393 204 HA LEU 31 HA LEU 31 -11.940 -12.285 -7.232 205 HB2 LEU 31 HB2 LEU 31 -10.309 -11.199 -5.702 206 HB3 LEU 31 HB1 LEU 31 -10.517 -9.702 -6.590 207 HG LEU 31 HG LEU 31 -13.046 -10.019 -5.983 208 HD11 LEU 31 HD11 LEU 31 -13.578 -11.326 -4.177 209 HD12 LEU 31 HD12 LEU 31 -11.928 -11.334 -3.555 210 HD13 LEU 31 HD13 LEU 31 -12.349 -12.324 -4.953 211 HD21 LEU 31 HD21 LEU 31 -11.288 -9.263 -3.687 212 HD22 LEU 31 HD22 LEU 31 -12.766 -8.496 -4.269 213 HD23 LEU 31 HD23 LEU 31 -11.262 -8.312 -5.172 214 H GLU 32 HN GLU 32 -13.915 -11.411 -7.696 215 HA GLU 32 HA GLU 32 -14.202 -10.060 -10.178 216 HB2 GLU 32 HB2 GLU 32 -16.142 -10.789 -7.992 217 HB3 GLU 32 HB1 GLU 32 -16.646 -9.911 -9.430 218 HG2 GLU 32 HG2 GLU 32 -15.730 -11.790 -10.797 219 HG3 GLU 32 HG1 GLU 32 -15.474 -12.676 -9.294 220 H ASP 33 HN ASP 33 -12.900 -8.162 -9.772 221 HA ASP 33 HA ASP 33 -14.433 -5.883 -9.179 222 HB2 ASP 33 HB2 ASP 33 -13.843 -6.960 -6.844 223 HB3 ASP 33 HB1 ASP 33 -12.286 -6.183 -7.117 224 H ASP 34 HN ASP 34 -13.635 -4.684 -10.776 225 HA ASP 34 HA ASP 34 -11.050 -4.877 -11.838 226 HB2 ASP 34 HB2 ASP 34 -12.882 -2.475 -11.980 227 HB3 ASP 34 HB1 ASP 34 -11.580 -2.876 -13.095 228 H GLN 35 HN GLN 35 -12.435 -2.471 -9.614 229 HA GLN 35 HA GLN 35 -10.045 -0.988 -9.304 230 HB2 GLN 35 HB2 GLN 35 -12.619 -1.168 -7.775 231 HB3 GLN 35 HB1 GLN 35 -11.269 -0.252 -7.118 232 HG2 GLN 35 HG2 GLN 35 -12.555 1.327 -8.242 233 HG3 GLN 35 HG1 GLN 35 -11.231 0.972 -9.351 234 HE21 GLN 35 HE21 GLN 35 -11.667 0.117 -11.312 235 HE22 GLN 35 HE22 GLN 35 -13.259 -0.216 -11.895 236 H GLU 36 HN GLU 36 -9.346 -0.676 -6.803 237 HA GLU 36 HA GLU 36 -8.517 -3.357 -5.905 238 HB2 GLU 36 HB2 GLU 36 -7.098 -0.701 -5.661 239 HB3 GLU 36 HB1 GLU 36 -6.555 -2.182 -4.886 240 HG2 GLU 36 HG2 GLU 36 -6.764 -1.648 -7.837 241 HG3 GLU 36 HG1 GLU 36 -5.292 -1.842 -6.886 242 HA PRO 37 HA PRO 37 -11.433 -1.997 -2.603 243 HB2 PRO 37 HB2 PRO 37 -10.819 -4.823 -1.873 244 HB3 PRO 37 HB1 PRO 37 -12.374 -3.983 -1.913 245 HG2 PRO 37 HG2 PRO 37 -11.713 -5.700 -3.836 246 HG3 PRO 37 HG1 PRO 37 -12.581 -4.200 -4.214 247 HD2 PRO 37 HD2 PRO 37 -9.709 -4.890 -4.637 248 HD3 PRO 37 HD1 PRO 37 -10.791 -3.893 -5.632 249 H ARG 38 HN ARG 38 -11.215 -2.582 -0.125 250 HA ARG 38 HA ARG 38 -8.461 -2.792 0.759 251 HB2 ARG 38 HB2 ARG 38 -8.385 -0.693 1.909 252 HB3 ARG 38 HB1 ARG 38 -8.823 -0.369 0.238 253 HG2 ARG 38 HG2 ARG 38 -10.723 -0.464 2.572 254 HG3 ARG 38 HG1 ARG 38 -10.123 0.992 1.776 255 HD2 ARG 38 HD2 ARG 38 -11.102 -0.328 -0.351 256 HD3 ARG 38 HD1 ARG 38 -12.173 -0.948 0.905 257 HE ARG 38 HE ARG 38 -13.158 1.117 1.042 258 HH11 ARG 38 HH11 ARG 38 -10.173 1.398 -0.744 259 HH12 ARG 38 HH12 ARG 38 -10.474 3.031 -1.233 260 HH21 ARG 38 HH21 ARG 38 -13.556 3.265 0.399 261 HH22 ARG 38 HH22 ARG 38 -12.394 4.092 -0.584 262 H GLU 39 HN GLU 39 -8.725 -2.007 3.363 263 HA GLU 39 HA GLU 39 -11.097 -3.053 4.573 264 HB2 GLU 39 HB2 GLU 39 -9.432 -5.020 3.785 265 HB3 GLU 39 HB1 GLU 39 -8.742 -4.669 5.364 266 HG2 GLU 39 HG2 GLU 39 -10.395 -6.479 5.429 267 HG3 GLU 39 HG1 GLU 39 -10.851 -5.106 6.437 268 H HIS 40 HN HIS 40 -10.838 -3.189 6.998 269 HA HIS 40 HA HIS 40 -8.968 -1.093 7.888 270 HB2 HIS 40 HB2 HIS 40 -10.594 -0.645 9.703 271 HB3 HIS 40 HB1 HIS 40 -11.283 -0.393 8.103 272 HD1 HIS 40 HD1 HIS 40 -12.897 -2.351 7.233 273 HD2 HIS 40 HD2 HIS 40 -11.946 -2.426 11.277 274 HE1 HIS 40 HE1 HIS 40 -14.599 -3.868 8.296 275 HE2 HIS 40 HE2 HIS 40 -14.055 -3.829 10.756 276 HA PRO 41 HA PRO 41 -7.437 -4.862 10.013 277 HB2 PRO 41 HB2 PRO 41 -4.896 -3.939 10.302 278 HB3 PRO 41 HB1 PRO 41 -5.475 -4.726 8.830 279 HG2 PRO 41 HG2 PRO 41 -5.165 -1.808 9.421 280 HG3 PRO 41 HG1 PRO 41 -4.746 -2.702 7.948 281 HD2 PRO 41 HD2 PRO 41 -7.006 -1.234 8.155 282 HD3 PRO 41 HD1 PRO 41 -6.925 -2.721 7.188 283 H ILE 42 HN ILE 42 -6.047 -4.976 12.092 284 HA ILE 42 HA ILE 42 -7.298 -3.222 14.027 285 HB ILE 42 HB ILE 42 -7.150 -5.639 14.468 286 HG12 ILE 42 HG12 ILE 42 -5.413 -4.209 16.472 287 HG13 ILE 42 HG11 ILE 42 -7.121 -3.822 16.289 288 HG21 ILE 42 HG21 ILE 42 -5.246 -6.842 14.452 289 HG22 ILE 42 HG22 ILE 42 -4.289 -5.536 15.151 290 HG23 ILE 42 HG23 ILE 42 -4.667 -5.528 13.429 291 HD11 ILE 42 HD11 ILE 42 -7.768 -5.653 17.385 292 HD12 ILE 42 HD12 ILE 42 -6.106 -5.694 17.975 293 HD13 ILE 42 HD13 ILE 42 -6.573 -6.675 16.586 294 H MET 43 HN MET 43 -6.066 -2.162 15.729 295 HA MET 43 HA MET 43 -4.069 -0.475 14.748 296 HB2 MET 43 HB2 MET 43 -3.704 0.127 17.152 297 HB3 MET 43 HB1 MET 43 -5.380 0.214 16.629 298 HG2 MET 43 HG2 MET 43 -5.272 -2.323 17.555 299 HG3 MET 43 HG1 MET 43 -4.102 -1.532 18.610 300 HE1 MET 43 HE1 MET 43 -7.239 -2.676 18.005 301 HE2 MET 43 HE2 MET 43 -8.489 -1.584 18.601 302 HE3 MET 43 HE3 MET 43 -7.568 -2.573 19.734 303 H GLY 44 HN GLY 44 -1.950 -0.267 16.282 304 HA2 GLY 44 HA2 GLY 44 -0.508 -2.252 17.341 305 HA3 GLY 44 HA1 GLY 44 -0.426 -2.657 15.633 306 H GLY 45 HN GLY 45 1.774 -1.973 17.355 307 HA2 GLY 45 HA2 GLY 45 2.551 0.734 16.702 308 HA3 GLY 45 HA1 GLY 45 3.519 -0.453 17.565 309 H ILE 46 HN ILE 46 5.119 0.711 16.064 310 HA ILE 46 HA ILE 46 5.093 -0.028 13.298 311 HB ILE 46 HB ILE 46 7.462 0.965 14.878 312 HG12 ILE 46 HG12 ILE 46 5.546 2.470 15.211 313 HG13 ILE 46 HG11 ILE 46 6.788 3.229 14.220 314 HG21 ILE 46 HG21 ILE 46 8.258 1.778 12.745 315 HG22 ILE 46 HG22 ILE 46 6.786 1.219 11.951 316 HG23 ILE 46 HG23 ILE 46 7.917 0.051 12.634 317 HD11 ILE 46 HD11 ILE 46 4.352 3.514 13.525 318 HD12 ILE 46 HD12 ILE 46 4.444 1.837 12.986 319 HD13 ILE 46 HD13 ILE 46 5.513 3.050 12.281 320 H TYR 47 HN TYR 47 4.723 -2.385 14.116 321 HA TYR 47 HA TYR 47 6.930 -3.918 13.359 322 HB2 TYR 47 HB2 TYR 47 7.406 -3.038 15.861 323 HB3 TYR 47 HB1 TYR 47 6.490 -4.494 16.236 324 HD1 TYR 47 HD2 TYR 47 7.378 -6.698 15.696 325 HD2 TYR 47 HD1 TYR 47 9.602 -3.172 14.842 326 HE1 TYR 47 HE2 TYR 47 9.401 -8.059 15.374 327 HE2 TYR 47 HE1 TYR 47 11.630 -4.523 14.517 328 HH TYR 47 HH TYR 47 12.528 -6.674 15.120 329 H ASP 48 HN ASP 48 4.212 -4.044 15.659 330 HA ASP 48 HA ASP 48 3.528 -6.732 15.031 331 HB2 ASP 48 HB2 ASP 48 2.358 -4.541 16.655 332 HB3 ASP 48 HB1 ASP 48 1.250 -5.799 16.116 333 H ALA 49 HN ALA 49 2.208 -7.549 13.514 334 HA ALA 49 HA ALA 49 0.121 -6.114 12.253 335 HB1 ALA 49 HB1 ALA 49 1.477 -6.447 9.929 336 HB2 ALA 49 HB2 ALA 49 2.781 -5.977 11.019 337 HB3 ALA 49 HB3 ALA 49 1.378 -4.928 10.818 338 HA PRO 50 HA PRO 50 0.169 -10.843 12.201 339 HB2 PRO 50 HB2 PRO 50 -2.665 -10.183 12.844 340 HB3 PRO 50 HB1 PRO 50 -1.625 -11.447 13.511 341 HG2 PRO 50 HG2 PRO 50 -2.168 -9.256 14.921 342 HG3 PRO 50 HG1 PRO 50 -0.553 -9.988 14.960 343 HD2 PRO 50 HD2 PRO 50 -1.492 -7.537 13.539 344 HD3 PRO 50 HD1 PRO 50 0.072 -7.866 14.312 345 H LEU 51 HN LEU 51 -1.898 -8.346 10.860 346 HA LEU 51 HA LEU 51 -3.087 -8.181 8.925 347 HB2 LEU 51 HB2 LEU 51 -0.541 -8.851 8.298 348 HB3 LEU 51 HB1 LEU 51 -1.408 -10.161 7.520 349 HG LEU 51 HG LEU 51 -2.498 -7.481 6.977 350 HD11 LEU 51 HD11 LEU 51 -0.556 -7.412 5.137 351 HD12 LEU 51 HD12 LEU 51 0.339 -8.133 6.475 352 HD13 LEU 51 HD13 LEU 51 -0.450 -6.569 6.683 353 HD21 LEU 51 HD21 LEU 51 -3.272 -9.575 5.909 354 HD22 LEU 51 HD22 LEU 51 -1.682 -9.749 5.166 355 HD23 LEU 51 HD23 LEU 51 -2.703 -8.373 4.749 356 H ASN 52 HN ASN 52 -4.833 -9.360 10.035 357 HA ASN 52 HA ASN 52 -5.266 -12.107 9.822 358 HB2 ASN 52 HB2 ASN 52 -6.589 -10.099 11.031 359 HB3 ASN 52 HB1 ASN 52 -7.644 -10.342 9.642 360 HD21 ASN 52 HD21 ASN 52 -7.622 -10.989 12.679 361 HD22 ASN 52 HD22 ASN 52 -8.237 -12.603 12.725 362 H ASN 53 HN ASN 53 -5.925 -9.502 7.558 363 HA ASN 53 HA ASN 53 -7.214 -11.339 5.698 364 HB2 ASN 53 HB2 ASN 53 -7.567 -8.640 6.250 365 HB3 ASN 53 HB1 ASN 53 -6.730 -8.641 4.701 366 HD21 ASN 53 HD21 ASN 53 -9.668 -8.561 6.051 367 HD22 ASN 53 HD22 ASN 53 -10.608 -9.289 4.798 368 H GLU 54 HN GLU 54 -4.675 -12.138 6.084 369 HA GLU 54 HA GLU 54 -3.025 -11.021 3.952 370 HB2 GLU 54 HB2 GLU 54 -1.239 -12.407 4.850 371 HB3 GLU 54 HB1 GLU 54 -1.987 -11.471 6.136 372 HG2 GLU 54 HG2 GLU 54 -1.923 -13.451 7.200 373 HG3 GLU 54 HG1 GLU 54 -3.441 -13.700 6.338 374 H ASN 55 HN ASN 55 -5.513 -12.833 3.666 375 HA ASN 55 HA ASN 55 -4.748 -15.329 2.677 376 HB2 ASN 55 HB2 ASN 55 -7.055 -13.687 1.628 377 HB3 ASN 55 HB1 ASN 55 -6.911 -15.442 1.656 378 HD21 ASN 55 HD21 ASN 55 -7.763 -12.622 3.404 379 HD22 ASN 55 HD22 ASN 55 -8.300 -13.407 4.846 380 H GLY 56 HN GLY 56 -4.634 -12.161 1.226 381 HA2 GLY 56 HA2 GLY 56 -2.798 -12.143 -0.542 382 HA3 GLY 56 HA1 GLY 56 -3.781 -13.370 -1.326 383 H PHE 57 HN PHE 57 -6.323 -12.238 -0.790 384 HA PHE 57 HA PHE 57 -6.554 -10.470 -2.972 385 HB2 PHE 57 HB2 PHE 57 -8.517 -11.011 -0.734 386 HB3 PHE 57 HB1 PHE 57 -8.900 -10.209 -2.253 387 HD1 PHE 57 HD2 PHE 57 -8.844 -11.482 -4.369 388 HD2 PHE 57 HD1 PHE 57 -8.351 -13.371 -0.588 389 HE1 PHE 57 HE2 PHE 57 -9.330 -13.663 -5.399 390 HE2 PHE 57 HE1 PHE 57 -8.836 -15.555 -1.611 391 HZ PHE 57 HZ PHE 57 -9.327 -15.703 -4.020 392 H ASP 58 HN ASP 58 -6.984 -9.860 0.517 393 HA ASP 58 HA ASP 58 -7.359 -7.109 0.367 394 HB2 ASP 58 HB2 ASP 58 -7.350 -8.907 2.388 395 HB3 ASP 58 HB1 ASP 58 -5.820 -8.092 2.695 396 H LYS 59 HN LYS 59 -4.336 -8.879 1.002 397 HA LYS 59 HA LYS 59 -2.651 -6.651 1.101 398 HB2 LYS 59 HB2 LYS 59 -0.847 -8.169 0.974 399 HB3 LYS 59 HB1 LYS 59 -2.135 -9.049 1.782 400 HG2 LYS 59 HG2 LYS 59 -2.664 -10.224 -0.263 401 HG3 LYS 59 HG1 LYS 59 -1.453 -9.290 -1.141 402 HD2 LYS 59 HD2 LYS 59 -0.108 -10.375 1.061 403 HD3 LYS 59 HD1 LYS 59 -1.133 -11.674 0.449 404 HE2 LYS 59 HE2 LYS 59 -0.131 -10.690 -1.863 405 HE3 LYS 59 HE1 LYS 59 1.212 -10.375 -0.766 406 HZ1 LYS 59 HZ1 LYS 59 0.127 -12.915 -1.694 407 HZ2 LYS 59 HZ2 LYS 59 0.662 -12.864 -0.091 408 HZ3 LYS 59 HZ3 LYS 59 1.726 -12.482 -1.348 409 H GLU 60 HN GLU 60 -3.798 -8.560 -1.619 410 HA GLU 60 HA GLU 60 -2.063 -7.527 -3.577 411 HB2 GLU 60 HB2 GLU 60 -4.706 -8.916 -3.619 412 HB3 GLU 60 HB1 GLU 60 -4.126 -8.163 -5.099 413 HG2 GLU 60 HG2 GLU 60 -2.142 -9.827 -3.737 414 HG3 GLU 60 HG1 GLU 60 -3.565 -10.699 -4.305 415 H ASP 61 HN ASP 61 -5.490 -6.690 -3.002 416 HA ASP 61 HA ASP 61 -5.591 -4.526 -4.745 417 HB2 ASP 61 HB2 ASP 61 -7.536 -3.759 -3.349 418 HB3 ASP 61 HB1 ASP 61 -7.630 -5.430 -3.889 419 H LEU 62 HN LEU 62 -4.678 -4.627 -1.332 420 HA LEU 62 HA LEU 62 -4.484 -1.858 -0.920 421 HB2 LEU 62 HB2 LEU 62 -4.495 -3.375 0.945 422 HB3 LEU 62 HB1 LEU 62 -3.025 -4.149 0.386 423 HG LEU 62 HG LEU 62 -1.680 -2.323 1.020 424 HD11 LEU 62 HD11 LEU 62 -3.146 -0.564 0.081 425 HD12 LEU 62 HD12 LEU 62 -2.504 -0.157 1.672 426 HD13 LEU 62 HD13 LEU 62 -4.174 -0.701 1.507 427 HD21 LEU 62 HD21 LEU 62 -1.995 -3.319 3.028 428 HD22 LEU 62 HD22 LEU 62 -3.750 -3.160 2.956 429 HD23 LEU 62 HD23 LEU 62 -2.757 -1.772 3.400 430 H ALA 63 HN ALA 63 -1.913 -4.204 -1.705 431 HA ALA 63 HA ALA 63 0.190 -2.395 -1.915 432 HB1 ALA 63 HB1 ALA 63 0.437 -4.855 -1.872 433 HB2 ALA 63 HB2 ALA 63 1.357 -4.094 -3.170 434 HB3 ALA 63 HB3 ALA 63 -0.161 -4.917 -3.530 435 H ARG 64 HN ARG 64 -1.842 -3.690 -4.547 436 HA ARG 64 HA ARG 64 -0.734 -2.119 -6.591 437 HB2 ARG 64 HB2 ARG 64 -2.393 -4.171 -6.641 438 HB3 ARG 64 HB1 ARG 64 -3.616 -2.909 -6.679 439 HG2 ARG 64 HG2 ARG 64 -1.366 -3.241 -8.652 440 HG3 ARG 64 HG1 ARG 64 -3.057 -3.672 -8.919 441 HD2 ARG 64 HD2 ARG 64 -3.376 -1.122 -8.185 442 HD3 ARG 64 HD1 ARG 64 -1.752 -1.014 -8.863 443 HE ARG 64 HE ARG 64 -4.184 -1.289 -10.305 444 HH11 ARG 64 HH11 ARG 64 -0.820 -2.218 -10.346 445 HH12 ARG 64 HH12 ARG 64 -0.759 -2.390 -12.068 446 HH21 ARG 64 HH21 ARG 64 -4.106 -1.516 -12.570 447 HH22 ARG 64 HH22 ARG 64 -2.624 -1.991 -13.331 448 H PHE 65 HN PHE 65 -3.409 -1.531 -4.373 449 HA PHE 65 HA PHE 65 -4.474 0.763 -5.542 450 HB2 PHE 65 HB2 PHE 65 -5.599 -0.396 -3.721 451 HB3 PHE 65 HB1 PHE 65 -4.293 0.016 -2.616 452 HD1 PHE 65 HD2 PHE 65 -6.616 1.764 -4.961 453 HD2 PHE 65 HD1 PHE 65 -4.689 1.740 -1.167 454 HE1 PHE 65 HE2 PHE 65 -7.794 3.837 -4.354 455 HE2 PHE 65 HE1 PHE 65 -5.864 3.812 -0.552 456 HZ PHE 65 HZ PHE 65 -7.419 4.864 -2.147 457 H ALA 66 HN ALA 66 -2.123 0.592 -2.860 458 HA ALA 66 HA ALA 66 -1.575 3.327 -2.731 459 HB1 ALA 66 HB1 ALA 66 -0.301 0.863 -1.745 460 HB2 ALA 66 HB2 ALA 66 -0.684 2.362 -0.899 461 HB3 ALA 66 HB3 ALA 66 0.766 2.259 -1.898 462 H VAL 67 HN VAL 67 0.294 0.763 -4.363 463 HA VAL 67 HA VAL 67 2.266 2.317 -5.501 464 HB VAL 67 HB VAL 67 0.937 -0.056 -6.821 465 HG11 VAL 67 HG11 VAL 67 3.687 1.136 -7.154 466 HG12 VAL 67 HG12 VAL 67 2.384 1.144 -8.342 467 HG13 VAL 67 HG13 VAL 67 3.143 -0.378 -7.875 468 HG21 VAL 67 HG21 VAL 67 3.437 -0.523 -5.395 469 HG22 VAL 67 HG22 VAL 67 1.930 -1.438 -5.371 470 HG23 VAL 67 HG23 VAL 67 2.117 -0.020 -4.339 471 H ARG 68 HN ARG 68 -0.873 1.445 -6.940 472 HA ARG 68 HA ARG 68 -0.524 3.000 -9.279 473 HB2 ARG 68 HB2 ARG 68 -2.112 1.173 -9.230 474 HB3 ARG 68 HB1 ARG 68 -3.030 1.954 -7.950 475 HG2 ARG 68 HG2 ARG 68 -4.008 3.446 -9.370 476 HG3 ARG 68 HG1 ARG 68 -2.651 3.432 -10.498 477 HD2 ARG 68 HD2 ARG 68 -4.095 0.882 -10.212 478 HD3 ARG 68 HD1 ARG 68 -5.014 2.195 -10.945 479 HE ARG 68 HE ARG 68 -2.395 1.854 -12.074 480 HH11 ARG 68 HH11 ARG 68 -5.718 0.796 -12.198 481 HH12 ARG 68 HH12 ARG 68 -5.616 0.258 -13.841 482 HH21 ARG 68 HH21 ARG 68 -2.259 1.147 -14.235 483 HH22 ARG 68 HH22 ARG 68 -3.653 0.457 -14.998 484 H GLU 69 HN GLU 69 -1.647 3.729 -6.066 485 HA GLU 69 HA GLU 69 -3.032 6.121 -6.624 486 HB2 GLU 69 HB2 GLU 69 -2.291 4.626 -4.321 487 HB3 GLU 69 HB1 GLU 69 -1.772 6.284 -4.063 488 HG2 GLU 69 HG2 GLU 69 -4.552 5.332 -4.700 489 HG3 GLU 69 HG1 GLU 69 -3.975 6.006 -3.176 490 H TYR 70 HN TYR 70 0.348 5.467 -5.793 491 HA TYR 70 HA TYR 70 1.026 8.281 -6.047 492 HB2 TYR 70 HB2 TYR 70 2.988 7.786 -4.972 493 HB3 TYR 70 HB1 TYR 70 2.010 6.441 -4.401 494 HD1 TYR 70 HD2 TYR 70 4.659 7.421 -6.775 495 HD2 TYR 70 HD1 TYR 70 2.535 4.193 -4.998 496 HE1 TYR 70 HE2 TYR 70 6.315 5.843 -7.678 497 HE2 TYR 70 HE1 TYR 70 4.185 2.605 -5.896 498 HH TYR 70 HH TYR 70 6.390 3.400 -8.286 499 H ASN 71 HN ASN 71 0.958 5.477 -8.012 500 HA ASN 71 HA ASN 71 2.964 6.413 -9.873 501 HB2 ASN 71 HB2 ASN 71 1.221 3.994 -9.662 502 HB3 ASN 71 HB1 ASN 71 1.936 4.397 -11.221 503 HD21 ASN 71 HD21 ASN 71 4.308 4.796 -11.186 504 HD22 ASN 71 HD22 ASN 71 5.272 3.782 -10.172 505 H ASN 72 HN ASN 72 -0.488 6.602 -9.518 506 HA ASN 72 HA ASN 72 -0.942 7.314 -12.278 507 HB2 ASN 72 HB2 ASN 72 -3.216 7.309 -11.784 508 HB3 ASN 72 HB1 ASN 72 -2.582 6.126 -10.646 509 HD21 ASN 72 HD21 ASN 72 -2.485 6.639 -8.458 510 HD22 ASN 72 HD22 ASN 72 -3.375 7.958 -7.787 511 H LYS 73 HN LYS 73 -0.572 8.975 -9.211 512 HA LYS 73 HA LYS 73 -1.516 11.488 -9.827 513 HB2 LYS 73 HB2 LYS 73 0.385 12.284 -8.250 514 HB3 LYS 73 HB1 LYS 73 -0.882 11.245 -7.614 515 HG2 LYS 73 HG2 LYS 73 0.534 9.348 -7.648 516 HG3 LYS 73 HG1 LYS 73 1.761 10.198 -8.588 517 HD2 LYS 73 HD2 LYS 73 1.556 11.833 -6.444 518 HD3 LYS 73 HD1 LYS 73 1.190 10.275 -5.698 519 HE2 LYS 73 HE2 LYS 73 3.291 9.493 -5.989 520 HE3 LYS 73 HE1 LYS 73 3.494 10.312 -7.537 521 HZ1 LYS 73 HZ1 LYS 73 3.602 11.651 -4.889 522 HZ2 LYS 73 HZ2 LYS 73 3.898 12.371 -6.390 523 HZ3 LYS 73 HZ3 LYS 73 4.955 11.193 -5.795 524 H ASN 74 HN ASN 74 1.675 10.125 -10.566 525 HA ASN 74 HA ASN 74 1.995 11.649 -12.899 526 HB2 ASN 74 HB2 ASN 74 3.561 13.327 -12.299 527 HB3 ASN 74 HB1 ASN 74 2.253 13.456 -11.128 528 HD21 ASN 74 HD21 ASN 74 2.671 11.862 -9.185 529 HD22 ASN 74 HD22 ASN 74 4.239 12.015 -8.477 530 H ASN 75 HN ASN 75 3.601 9.988 -10.241 531 HA ASN 75 HA ASN 75 6.044 9.378 -11.292 532 HB2 ASN 75 HB2 ASN 75 4.557 8.503 -9.128 533 HB3 ASN 75 HB1 ASN 75 4.831 7.030 -10.052 534 HD21 ASN 75 HD21 ASN 75 6.908 6.250 -10.300 535 HD22 ASN 75 HD22 ASN 75 8.233 6.821 -9.350 536 H ALA 76 HN ALA 76 6.780 7.159 -12.086 537 HA ALA 76 HA ALA 76 5.809 6.724 -14.662 538 HB1 ALA 76 HB1 ALA 76 7.156 4.453 -13.335 539 HB2 ALA 76 HB2 ALA 76 8.033 5.982 -13.373 540 HB3 ALA 76 HB3 ALA 76 7.499 5.234 -14.878 541 H LEU 77 HN LEU 77 5.453 4.103 -15.144 542 HA LEU 77 HA LEU 77 3.052 3.384 -13.596 543 HB2 LEU 77 HB2 LEU 77 3.066 4.192 -16.213 544 HB3 LEU 77 HB1 LEU 77 3.140 2.448 -16.377 545 HG LEU 77 HG LEU 77 0.844 3.105 -16.472 546 HD11 LEU 77 HD11 LEU 77 -0.028 2.015 -14.330 547 HD12 LEU 77 HD12 LEU 77 1.669 1.801 -13.900 548 HD13 LEU 77 HD13 LEU 77 1.030 1.056 -15.365 549 HD21 LEU 77 HD21 LEU 77 -0.113 4.193 -14.312 550 HD22 LEU 77 HD22 LEU 77 0.673 5.203 -15.525 551 HD23 LEU 77 HD23 LEU 77 1.548 4.733 -14.067 552 H LEU 78 HN LEU 78 4.180 1.927 -12.299 553 HA LEU 78 HA LEU 78 5.369 -0.385 -13.675 554 HB2 LEU 78 HB2 LEU 78 6.176 -0.827 -11.209 555 HB3 LEU 78 HB1 LEU 78 7.031 0.286 -12.259 556 HG LEU 78 HG LEU 78 5.822 2.172 -11.194 557 HD11 LEU 78 HD11 LEU 78 4.870 1.364 -8.842 558 HD12 LEU 78 HD12 LEU 78 4.501 -0.075 -9.793 559 HD13 LEU 78 HD13 LEU 78 3.861 1.493 -10.283 560 HD21 LEU 78 HD21 LEU 78 7.719 0.381 -9.843 561 HD22 LEU 78 HD22 LEU 78 6.890 1.529 -8.791 562 HD23 LEU 78 HD23 LEU 78 7.822 2.111 -10.171 563 H GLU 79 HN GLU 79 5.212 -2.378 -11.935 564 HA GLU 79 HA GLU 79 2.435 -2.571 -11.024 565 HB2 GLU 79 HB2 GLU 79 3.745 -4.245 -13.121 566 HB3 GLU 79 HB1 GLU 79 2.590 -5.007 -12.036 567 HG2 GLU 79 HG2 GLU 79 0.823 -3.700 -12.801 568 HG3 GLU 79 HG1 GLU 79 1.898 -2.497 -13.512 569 H PHE 80 HN PHE 80 2.190 -3.654 -9.159 570 HA PHE 80 HA PHE 80 4.562 -4.560 -7.790 571 HB2 PHE 80 HB2 PHE 80 3.382 -4.259 -5.872 572 HB3 PHE 80 HB1 PHE 80 2.319 -3.326 -6.917 573 HD1 PHE 80 HD1 PHE 80 0.264 -4.443 -7.855 574 HD2 PHE 80 HD2 PHE 80 2.628 -6.178 -4.771 575 HE1 PHE 80 HE1 PHE 80 -1.609 -5.923 -7.257 576 HE2 PHE 80 HE2 PHE 80 0.760 -7.662 -4.167 577 HZ PHE 80 HZ PHE 80 -1.362 -7.535 -5.413 578 H VAL 81 HN VAL 81 4.903 -6.652 -6.946 579 HA VAL 81 HA VAL 81 3.545 -8.754 -8.485 580 HB VAL 81 HB VAL 81 5.502 -10.182 -7.745 581 HG11 VAL 81 HG11 VAL 81 5.335 -9.251 -9.993 582 HG12 VAL 81 HG12 VAL 81 7.010 -9.268 -9.440 583 HG13 VAL 81 HG13 VAL 81 6.097 -7.759 -9.441 584 HG21 VAL 81 HG21 VAL 81 6.134 -8.643 -5.862 585 HG22 VAL 81 HG22 VAL 81 6.774 -7.535 -7.076 586 HG23 VAL 81 HG23 VAL 81 7.470 -9.146 -6.898 587 H ARG 82 HN ARG 82 4.462 -7.781 -5.229 588 HA ARG 82 HA ARG 82 2.294 -8.924 -3.952 589 HB2 ARG 82 HB2 ARG 82 3.373 -10.868 -2.811 590 HB3 ARG 82 HB1 ARG 82 3.082 -11.104 -4.529 591 HG2 ARG 82 HG2 ARG 82 5.517 -10.222 -4.763 592 HG3 ARG 82 HG1 ARG 82 5.645 -10.720 -3.077 593 HD2 ARG 82 HD2 ARG 82 5.415 -12.943 -3.571 594 HD3 ARG 82 HD1 ARG 82 4.452 -12.632 -5.015 595 HE ARG 82 HE ARG 82 7.072 -11.692 -5.419 596 HH11 ARG 82 HH11 ARG 82 5.302 -14.685 -5.118 597 HH12 ARG 82 HH12 ARG 82 6.408 -15.583 -6.102 598 HH21 ARG 82 HH21 ARG 82 8.528 -12.872 -6.714 599 HH22 ARG 82 HH22 ARG 82 8.240 -14.554 -7.008 600 H VAL 83 HN VAL 83 2.577 -9.031 -1.544 601 HA VAL 83 HA VAL 83 4.277 -6.829 -0.722 602 HB VAL 83 HB VAL 83 3.066 -6.817 1.339 603 HG11 VAL 83 HG11 VAL 83 0.641 -7.317 -0.036 604 HG12 VAL 83 HG12 VAL 83 1.790 -6.653 -1.196 605 HG13 VAL 83 HG13 VAL 83 1.422 -5.769 0.285 606 HG21 VAL 83 HG21 VAL 83 1.122 -8.691 1.364 607 HG22 VAL 83 HG22 VAL 83 2.673 -8.870 2.185 608 HG23 VAL 83 HG23 VAL 83 2.428 -9.594 0.596 609 H VAL 84 HN VAL 84 5.869 -6.937 0.856 610 HA VAL 84 HA VAL 84 6.771 -9.650 1.569 611 HB VAL 84 HB VAL 84 8.269 -8.661 -0.082 612 HG11 VAL 84 HG11 VAL 84 8.918 -6.533 -0.078 613 HG12 VAL 84 HG12 VAL 84 9.420 -6.605 1.611 614 HG13 VAL 84 HG13 VAL 84 7.736 -6.272 1.204 615 HG21 VAL 84 HG21 VAL 84 9.589 -8.662 2.629 616 HG22 VAL 84 HG22 VAL 84 10.341 -9.008 1.071 617 HG23 VAL 84 HG23 VAL 84 9.147 -10.120 1.740 618 H LYS 85 HN LYS 85 5.761 -6.634 2.751 619 HA LYS 85 HA LYS 85 6.472 -7.438 5.454 620 HB2 LYS 85 HB2 LYS 85 7.085 -4.616 4.631 621 HB3 LYS 85 HB1 LYS 85 7.627 -5.489 6.056 622 HG2 LYS 85 HG2 LYS 85 8.960 -6.962 4.507 623 HG3 LYS 85 HG1 LYS 85 8.566 -5.817 3.222 624 HD2 LYS 85 HD2 LYS 85 9.609 -4.015 4.516 625 HD3 LYS 85 HD1 LYS 85 10.008 -5.166 5.793 626 HE2 LYS 85 HE2 LYS 85 11.099 -6.427 3.689 627 HE3 LYS 85 HE1 LYS 85 11.249 -4.757 3.142 628 HZ1 LYS 85 HZ1 LYS 85 12.368 -5.963 5.608 629 HZ2 LYS 85 HZ2 LYS 85 12.307 -4.292 5.352 630 HZ3 LYS 85 HZ3 LYS 85 13.213 -5.273 4.314 631 H ALA 86 HN ALA 86 5.185 -6.507 7.067 632 HA ALA 86 HA ALA 86 3.062 -4.680 6.254 633 HB1 ALA 86 HB1 ALA 86 1.701 -6.447 5.907 634 HB2 ALA 86 HB2 ALA 86 1.548 -6.399 7.664 635 HB3 ALA 86 HB3 ALA 86 2.671 -7.529 6.907 636 H LYS 87 HN LYS 87 2.524 -3.278 7.825 637 HA LYS 87 HA LYS 87 3.083 -3.916 10.614 638 HB2 LYS 87 HB2 LYS 87 4.329 -1.609 9.123 639 HB3 LYS 87 HB1 LYS 87 4.215 -1.661 10.877 640 HG2 LYS 87 HG2 LYS 87 6.261 -2.570 10.715 641 HG3 LYS 87 HG1 LYS 87 5.355 -4.053 10.411 642 HD2 LYS 87 HD2 LYS 87 5.488 -3.529 7.965 643 HD3 LYS 87 HD1 LYS 87 6.578 -2.201 8.371 644 HE2 LYS 87 HE2 LYS 87 7.928 -4.061 7.754 645 HE3 LYS 87 HE1 LYS 87 8.054 -3.877 9.503 646 HZ1 LYS 87 HZ1 LYS 87 7.612 -6.061 9.490 647 HZ2 LYS 87 HZ2 LYS 87 6.915 -6.038 7.949 648 HZ3 LYS 87 HZ3 LYS 87 6.002 -5.578 9.296 649 H GLU 88 HN GLU 88 1.780 -2.846 12.061 650 HA GLU 88 HA GLU 88 -0.399 -1.287 10.866 651 HB2 GLU 88 HB2 GLU 88 -0.332 -2.450 13.647 652 HB3 GLU 88 HB1 GLU 88 -1.734 -1.899 12.741 653 HG2 GLU 88 HG2 GLU 88 -0.301 -3.990 11.345 654 HG3 GLU 88 HG1 GLU 88 -0.810 -4.495 12.955 655 H GLN 89 HN GLN 89 -1.032 0.704 11.686 656 HA GLN 89 HA GLN 89 0.542 1.898 13.830 657 HB2 GLN 89 HB2 GLN 89 1.639 2.344 11.556 658 HB3 GLN 89 HB1 GLN 89 0.246 3.360 11.213 659 HG2 GLN 89 HG2 GLN 89 0.771 4.791 13.075 660 HG3 GLN 89 HG1 GLN 89 2.091 3.728 13.560 661 HE21 GLN 89 HE21 GLN 89 3.420 3.208 11.323 662 HE22 GLN 89 HE22 GLN 89 4.033 4.653 10.601 663 H VAL 90 HN VAL 90 -0.446 3.695 14.815 664 HA VAL 90 HA VAL 90 -3.240 4.168 14.001 665 HB VAL 90 HB VAL 90 -2.239 4.184 16.848 666 HG11 VAL 90 HG11 VAL 90 -4.129 5.412 17.017 667 HG12 VAL 90 HG12 VAL 90 -4.895 3.823 17.006 668 HG13 VAL 90 HG13 VAL 90 -4.810 4.772 15.522 669 HG21 VAL 90 HG21 VAL 90 -3.908 2.070 16.746 670 HG22 VAL 90 HG22 VAL 90 -2.158 1.946 16.568 671 HG23 VAL 90 HG23 VAL 90 -3.190 1.979 15.138 672 H VAL 91 HN VAL 91 -3.512 6.184 13.339 673 HA VAL 91 HA VAL 91 -2.618 8.410 14.919 674 HB VAL 91 HB VAL 91 -1.468 9.496 12.900 675 HG11 VAL 91 HG11 VAL 91 0.234 7.266 13.851 676 HG12 VAL 91 HG12 VAL 91 -0.480 8.316 15.075 677 HG13 VAL 91 HG13 VAL 91 0.549 9.001 13.818 678 HG21 VAL 91 HG21 VAL 91 -2.258 7.402 11.491 679 HG22 VAL 91 HG22 VAL 91 -0.718 6.748 12.049 680 HG23 VAL 91 HG23 VAL 91 -0.756 8.249 11.124 681 H SER 92 HN SER 92 -4.532 9.412 14.994 682 HA SER 92 HA SER 92 -6.414 10.516 14.351 683 HB2 SER 92 HB2 SER 92 -4.798 11.856 13.041 684 HB3 SER 92 HB1 SER 92 -4.991 10.743 11.687 685 HG SER 92 HG SER 92 -6.486 12.847 12.314 686 H GLY 93 HN GLY 93 -6.145 7.583 13.932 687 HA2 GLY 93 HA2 GLY 93 -8.526 6.733 13.200 688 HA3 GLY 93 HA1 GLY 93 -7.869 7.119 11.617 689 H MET 94 HN MET 94 -6.828 5.554 10.578 690 HA MET 94 HA MET 94 -5.375 3.520 12.068 691 HB2 MET 94 HB2 MET 94 -7.708 2.907 10.253 692 HB3 MET 94 HB1 MET 94 -6.501 1.708 10.698 693 HG2 MET 94 HG2 MET 94 -8.067 3.236 12.750 694 HG3 MET 94 HG1 MET 94 -8.661 1.742 12.027 695 HE1 MET 94 HE1 MET 94 -6.822 1.826 15.805 696 HE2 MET 94 HE2 MET 94 -7.801 2.978 14.897 697 HE3 MET 94 HE3 MET 94 -6.043 3.109 14.878 698 H MET 95 HN MET 95 -3.438 3.509 11.153 699 HA MET 95 HA MET 95 -3.261 3.833 8.230 700 HB2 MET 95 HB2 MET 95 -2.125 5.447 10.101 701 HB3 MET 95 HB1 MET 95 -0.826 4.294 9.830 702 HG2 MET 95 HG2 MET 95 -0.786 4.803 7.487 703 HG3 MET 95 HG1 MET 95 -2.208 5.832 7.646 704 HE1 MET 95 HE1 MET 95 -1.978 8.369 7.761 705 HE2 MET 95 HE2 MET 95 -0.973 9.101 9.012 706 HE3 MET 95 HE3 MET 95 -2.181 7.893 9.447 707 H HIS 96 HN HIS 96 -2.176 2.338 7.053 708 HA HIS 96 HA HIS 96 -0.926 0.120 8.538 709 HB2 HIS 96 HB2 HIS 96 -3.152 -0.374 7.396 710 HB3 HIS 96 HB1 HIS 96 -2.300 -0.169 5.869 711 HD1 HIS 96 HD1 HIS 96 0.172 -1.662 7.807 712 HD2 HIS 96 HD2 HIS 96 -3.368 -3.085 6.161 713 HE1 HIS 96 HE1 HIS 96 0.441 -4.160 7.692 714 HE2 HIS 96 HE2 HIS 96 -1.679 -4.991 6.613 715 H TYR 97 HN TYR 97 1.188 0.094 8.234 716 HA TYR 97 HA TYR 97 2.309 1.155 5.741 717 HB2 TYR 97 HB2 TYR 97 3.546 0.547 8.430 718 HB3 TYR 97 HB1 TYR 97 4.492 1.003 7.018 719 HD1 TYR 97 HD2 TYR 97 1.364 2.270 8.648 720 HD2 TYR 97 HD1 TYR 97 5.218 3.180 7.093 721 HE1 TYR 97 HE2 TYR 97 1.015 4.643 9.188 722 HE2 TYR 97 HE1 TYR 97 4.880 5.555 7.631 723 HH TYR 97 HH TYR 97 2.996 6.734 9.654 724 H LEU 98 HN LEU 98 2.438 -0.383 4.203 725 HA LEU 98 HA LEU 98 3.699 -2.930 4.966 726 HB2 LEU 98 HB2 LEU 98 2.274 -3.904 3.031 727 HB3 LEU 98 HB1 LEU 98 1.563 -3.692 4.616 728 HG LEU 98 HG LEU 98 0.068 -3.045 2.744 729 HD11 LEU 98 HD11 LEU 98 0.261 -0.449 3.931 730 HD12 LEU 98 HD12 LEU 98 0.554 -1.689 5.151 731 HD13 LEU 98 HD13 LEU 98 -0.932 -1.718 4.202 732 HD21 LEU 98 HD21 LEU 98 1.730 -0.594 2.355 733 HD22 LEU 98 HD22 LEU 98 0.494 -1.289 1.308 734 HD23 LEU 98 HD23 LEU 98 2.075 -2.059 1.437 735 H THR 99 HN THR 99 5.187 -3.779 3.580 736 HA THR 99 HA THR 99 5.988 -2.035 1.352 737 HB THR 99 HB THR 99 7.730 -4.139 2.612 738 HG1 THR 99 HG1 THR 99 6.985 -2.690 4.248 739 HG21 THR 99 HG21 THR 99 8.812 -1.560 1.703 740 HG22 THR 99 HG22 THR 99 8.214 -2.641 0.445 741 HG23 THR 99 HG23 THR 99 9.469 -3.190 1.556 742 H VAL 100 HN VAL 100 6.267 -2.860 -0.690 743 HA VAL 100 HA VAL 100 5.884 -5.734 -1.074 744 HB VAL 100 HB VAL 100 4.152 -5.532 -2.648 745 HG11 VAL 100 HG11 VAL 100 3.305 -3.431 -0.692 746 HG12 VAL 100 HG12 VAL 100 3.606 -5.087 -0.168 747 HG13 VAL 100 HG13 VAL 100 2.368 -4.757 -1.379 748 HG21 VAL 100 HG21 VAL 100 4.293 -3.841 -4.102 749 HG22 VAL 100 HG22 VAL 100 5.142 -2.809 -2.952 750 HG23 VAL 100 HG23 VAL 100 3.381 -2.904 -2.919 751 H GLU 101 HN GLU 101 6.465 -6.479 -3.233 752 HA GLU 101 HA GLU 101 8.757 -4.999 -4.246 753 HB2 GLU 101 HB2 GLU 101 7.783 -7.802 -4.412 754 HB3 GLU 101 HB1 GLU 101 8.729 -7.209 -5.771 755 HG2 GLU 101 HG2 GLU 101 10.516 -6.565 -4.180 756 HG3 GLU 101 HG1 GLU 101 9.579 -7.311 -2.887 757 H VAL 102 HN VAL 102 8.827 -3.963 -6.160 758 HA VAL 102 HA VAL 102 6.474 -4.203 -7.920 759 HB VAL 102 HB VAL 102 8.104 -1.697 -7.533 760 HG11 VAL 102 HG11 VAL 102 7.095 -1.496 -9.598 761 HG12 VAL 102 HG12 VAL 102 5.895 -0.761 -8.535 762 HG13 VAL 102 HG13 VAL 102 5.670 -2.413 -9.109 763 HG21 VAL 102 HG21 VAL 102 7.014 -2.123 -5.449 764 HG22 VAL 102 HG22 VAL 102 5.500 -2.522 -6.260 765 HG23 VAL 102 HG23 VAL 102 6.103 -0.865 -6.284 766 H ASN 103 HN ASN 103 6.801 -4.034 -10.147 767 HA ASN 103 HA ASN 103 9.601 -4.258 -11.031 768 HB2 ASN 103 HB2 ASN 103 8.456 -6.447 -11.105 769 HB3 ASN 103 HB1 ASN 103 7.220 -5.754 -12.151 770 HD21 ASN 103 HD21 ASN 103 9.878 -7.608 -12.154 771 HD22 ASN 103 HD22 ASN 103 10.452 -7.323 -13.758 772 H ASP 104 HN ASP 104 10.125 -3.336 -13.030 773 HA ASP 104 HA ASP 104 8.030 -1.712 -14.299 774 HB2 ASP 104 HB2 ASP 104 9.708 -0.487 -12.681 775 HB3 ASP 104 HB1 ASP 104 10.801 -0.608 -14.057 776 H ALA 105 HN ALA 105 7.934 -3.260 -15.967 777 HA ALA 105 HA ALA 105 8.496 -4.254 -17.939 778 HB1 ALA 105 HB1 ALA 105 8.596 -1.747 -18.434 779 HB2 ALA 105 HB2 ALA 105 9.375 -2.839 -19.579 780 HB3 ALA 105 HB3 ALA 105 10.349 -1.943 -18.413 781 H GLY 106 HN GLY 106 10.120 -4.955 -15.618 782 HA2 GLY 106 HA2 GLY 106 11.753 -6.820 -16.085 783 HA3 GLY 106 HA1 GLY 106 12.669 -5.605 -16.963 784 H LYS 107 HN LYS 107 12.305 -3.457 -15.144 785 HA LYS 107 HA LYS 107 14.400 -4.025 -13.313 786 HB2 LYS 107 HB2 LYS 107 12.640 -1.682 -13.879 787 HB3 LYS 107 HB1 LYS 107 13.529 -1.707 -12.363 788 HG2 LYS 107 HG2 LYS 107 15.603 -1.685 -13.443 789 HG3 LYS 107 HG1 LYS 107 14.898 -2.153 -14.992 790 HD2 LYS 107 HD2 LYS 107 15.431 0.168 -15.120 791 HD3 LYS 107 HD1 LYS 107 13.676 0.036 -14.993 792 HE2 LYS 107 HE2 LYS 107 13.960 0.387 -12.506 793 HE3 LYS 107 HE1 LYS 107 15.639 0.806 -12.845 794 HZ1 LYS 107 HZ1 LYS 107 14.000 2.703 -12.692 795 HZ2 LYS 107 HZ2 LYS 107 13.378 2.177 -14.174 796 HZ3 LYS 107 HZ3 LYS 107 14.989 2.680 -14.065 797 H LYS 108 HN LYS 108 14.119 -5.314 -11.613 798 HA LYS 108 HA LYS 108 11.574 -5.230 -10.158 799 HB2 LYS 108 HB2 LYS 108 12.328 -7.435 -10.925 800 HB3 LYS 108 HB1 LYS 108 13.829 -7.239 -10.031 801 HG2 LYS 108 HG2 LYS 108 12.764 -8.400 -8.444 802 HG3 LYS 108 HG1 LYS 108 12.013 -6.848 -8.063 803 HD2 LYS 108 HD2 LYS 108 10.403 -7.756 -10.063 804 HD3 LYS 108 HD1 LYS 108 10.857 -9.264 -9.266 805 HE2 LYS 108 HE2 LYS 108 9.205 -8.817 -7.831 806 HE3 LYS 108 HE1 LYS 108 10.291 -7.604 -7.152 807 HZ1 LYS 108 HZ1 LYS 108 9.178 -6.283 -9.214 808 HZ2 LYS 108 HZ2 LYS 108 8.629 -6.204 -7.616 809 HZ3 LYS 108 HZ3 LYS 108 7.890 -7.258 -8.712 810 H LYS 109 HN LYS 109 11.423 -4.493 -8.120 811 HA LYS 109 HA LYS 109 13.736 -4.271 -6.413 812 HB2 LYS 109 HB2 LYS 109 12.565 -1.911 -7.790 813 HB3 LYS 109 HB1 LYS 109 13.000 -1.717 -6.097 814 HG2 LYS 109 HG2 LYS 109 15.255 -2.824 -6.932 815 HG3 LYS 109 HG1 LYS 109 14.728 -2.136 -8.469 816 HD2 LYS 109 HD2 LYS 109 14.574 0.066 -7.463 817 HD3 LYS 109 HD1 LYS 109 14.997 -0.601 -5.885 818 HE2 LYS 109 HE2 LYS 109 17.038 0.188 -6.562 819 HE3 LYS 109 HE1 LYS 109 17.115 -1.464 -7.174 820 HZ1 LYS 109 HZ1 LYS 109 17.837 -0.014 -8.890 821 HZ2 LYS 109 HZ2 LYS 109 16.490 0.994 -8.713 822 HZ3 LYS 109 HZ3 LYS 109 16.301 -0.569 -9.333 823 H LEU 110 HN LEU 110 13.061 -3.059 -4.319 824 HA LEU 110 HA LEU 110 10.324 -3.906 -3.630 825 HB2 LEU 110 HB2 LEU 110 11.835 -5.315 -2.466 826 HB3 LEU 110 HB1 LEU 110 12.874 -3.972 -2.034 827 HG LEU 110 HG LEU 110 11.300 -3.167 -0.418 828 HD11 LEU 110 HD11 LEU 110 9.197 -3.441 -1.378 829 HD12 LEU 110 HD12 LEU 110 9.190 -4.578 -0.031 830 HD13 LEU 110 HD13 LEU 110 9.449 -5.160 -1.676 831 HD21 LEU 110 HD21 LEU 110 11.719 -4.729 1.157 832 HD22 LEU 110 HD22 LEU 110 12.693 -5.446 -0.127 833 HD23 LEU 110 HD23 LEU 110 11.063 -6.045 0.183 834 H TYR 111 HN TYR 111 8.987 -2.298 -3.137 835 HA TYR 111 HA TYR 111 10.136 0.188 -2.046 836 HB2 TYR 111 HB2 TYR 111 7.661 0.048 -3.765 837 HB3 TYR 111 HB1 TYR 111 8.549 1.484 -3.273 838 HD1 TYR 111 HD1 TYR 111 11.352 0.374 -3.859 839 HD2 TYR 111 HD2 TYR 111 7.738 0.377 -6.110 840 HE1 TYR 111 HE1 TYR 111 12.653 0.279 -5.940 841 HE2 TYR 111 HE2 TYR 111 9.034 0.279 -8.197 842 HH TYR 111 HH TYR 111 11.507 1.024 -8.865 843 H GLU 112 HN GLU 112 9.038 1.223 -0.407 844 HA GLU 112 HA GLU 112 7.062 -0.426 0.986 845 HB2 GLU 112 HB2 GLU 112 9.267 0.680 1.982 846 HB3 GLU 112 HB1 GLU 112 8.190 2.053 2.197 847 HG2 GLU 112 HG2 GLU 112 6.821 -0.228 3.136 848 HG3 GLU 112 HG1 GLU 112 8.457 -0.291 3.791 849 H ALA 113 HN ALA 113 5.056 0.333 1.605 850 HA ALA 113 HA ALA 113 4.265 3.000 0.660 851 HB1 ALA 113 HB1 ALA 113 2.583 2.272 -0.672 852 HB2 ALA 113 HB2 ALA 113 2.283 0.833 0.303 853 HB3 ALA 113 HB3 ALA 113 3.641 0.868 -0.823 854 H LYS 114 HN LYS 114 2.899 4.085 1.989 855 HA LYS 114 HA LYS 114 1.831 2.602 4.302 856 HB2 LYS 114 HB2 LYS 114 2.079 4.728 5.602 857 HB3 LYS 114 HB1 LYS 114 3.598 3.983 5.123 858 HG2 LYS 114 HG2 LYS 114 3.294 5.622 3.060 859 HG3 LYS 114 HG1 LYS 114 2.375 6.532 4.259 860 HD2 LYS 114 HD2 LYS 114 4.529 7.367 4.514 861 HD3 LYS 114 HD1 LYS 114 4.430 6.143 5.779 862 HE2 LYS 114 HE2 LYS 114 5.832 4.693 4.678 863 HE3 LYS 114 HE1 LYS 114 5.443 5.355 3.091 864 HZ1 LYS 114 HZ1 LYS 114 7.719 5.853 4.325 865 HZ2 LYS 114 HZ2 LYS 114 6.807 7.129 4.959 866 HZ3 LYS 114 HZ3 LYS 114 6.990 6.972 3.285 867 H VAL 115 HN VAL 115 -0.299 2.543 4.341 868 HA VAL 115 HA VAL 115 -1.803 4.644 2.937 869 HB VAL 115 HB VAL 115 -2.179 2.359 2.114 870 HG11 VAL 115 HG11 VAL 115 -2.489 1.814 4.966 871 HG12 VAL 115 HG12 VAL 115 -2.063 0.731 3.642 872 HG13 VAL 115 HG13 VAL 115 -3.756 1.102 3.966 873 HG21 VAL 115 HG21 VAL 115 -3.977 4.001 1.953 874 HG22 VAL 115 HG22 VAL 115 -4.568 3.522 3.544 875 HG23 VAL 115 HG23 VAL 115 -4.623 2.379 2.202 876 H TRP 116 HN TRP 116 -3.649 5.570 3.894 877 HA TRP 116 HA TRP 116 -3.894 5.174 6.801 878 HB2 TRP 116 HB2 TRP 116 -2.674 7.263 6.330 879 HB3 TRP 116 HB1 TRP 116 -4.017 7.819 5.339 880 HD1 TRP 116 HD1 TRP 116 -4.033 6.319 8.926 881 HE1 TRP 116 HE1 TRP 116 -5.304 7.955 10.454 882 HE3 TRP 116 HE3 TRP 116 -5.010 10.012 5.528 883 HZ2 TRP 116 HZ2 TRP 116 -6.554 10.478 10.245 884 HZ3 TRP 116 HZ3 TRP 116 -6.250 12.002 6.272 885 HH2 TRP 116 HH2 TRP 116 -7.008 12.229 8.583 886 H GLU 117 HN GLU 117 -5.935 5.266 7.662 887 HA GLU 117 HA GLU 117 -8.199 6.012 6.020 888 HB2 GLU 117 HB2 GLU 117 -7.865 3.705 5.323 889 HB3 GLU 117 HB1 GLU 117 -7.828 3.175 6.999 890 HG2 GLU 117 HG2 GLU 117 -10.247 4.643 6.279 891 HG3 GLU 117 HG1 GLU 117 -10.016 3.149 5.372 892 H GLN 118 HN GLN 118 -9.619 7.033 7.275 893 HA GLN 118 HA GLN 118 -9.451 6.651 10.173 894 HB2 GLN 118 HB2 GLN 118 -11.027 8.834 8.857 895 HB3 GLN 118 HB1 GLN 118 -10.257 8.817 10.434 896 HG2 GLN 118 HG2 GLN 118 -8.847 10.203 9.309 897 HG3 GLN 118 HG1 GLN 118 -8.061 8.653 9.016 898 HE21 GLN 118 HE21 GLN 118 -7.421 8.390 7.013 899 HE22 GLN 118 HE22 GLN 118 -8.178 9.038 5.601 900 H VAL 119 HN VAL 119 -11.670 7.135 11.279 901 HA VAL 119 HA VAL 119 -13.704 5.470 9.944 902 HB VAL 119 HB VAL 119 -12.760 4.387 11.937 903 HG11 VAL 119 HG11 VAL 119 -13.127 5.327 14.160 904 HG12 VAL 119 HG12 VAL 119 -13.824 6.777 13.438 905 HG13 VAL 119 HG13 VAL 119 -12.123 6.391 13.176 906 HG21 VAL 119 HG21 VAL 119 -15.603 5.323 12.317 907 HG22 VAL 119 HG22 VAL 119 -14.869 3.917 13.089 908 HG23 VAL 119 HG23 VAL 119 -15.082 3.951 11.339 909 H TRP 120 HN TRP 120 -13.122 8.300 11.959 910 HA TRP 120 HA TRP 120 -15.909 9.068 11.967 911 HB2 TRP 120 HB2 TRP 120 -15.080 11.088 13.164 912 HB3 TRP 120 HB1 TRP 120 -14.590 9.579 13.929 913 HD1 TRP 120 HD1 TRP 120 -13.147 12.490 11.876 914 HE1 TRP 120 HE1 TRP 120 -10.597 12.540 12.221 915 HE3 TRP 120 HE3 TRP 120 -12.605 8.171 14.557 916 HZ2 TRP 120 HZ2 TRP 120 -8.617 10.957 13.464 917 HZ3 TRP 120 HZ3 TRP 120 -10.349 7.509 15.284 918 HH2 TRP 120 HH2 TRP 120 -8.398 8.875 14.747 919 H MET 121 HN MET 121 -13.141 9.601 9.996 920 HA MET 121 HA MET 121 -14.338 11.948 8.723 921 HB2 MET 121 HB2 MET 121 -11.943 12.045 9.294 922 HB3 MET 121 HB1 MET 121 -11.647 10.643 8.277 923 HG2 MET 121 HG2 MET 121 -11.188 12.091 6.662 924 HG3 MET 121 HG1 MET 121 -12.925 12.372 6.572 925 HE1 MET 121 HE1 MET 121 -10.331 14.310 5.814 926 HE2 MET 121 HE2 MET 121 -9.471 13.858 7.286 927 HE3 MET 121 HE3 MET 121 -9.969 15.531 7.034 928 H ASN 122 HN ASN 122 -13.781 8.568 8.249 929 HA ASN 122 HA ASN 122 -14.414 7.111 6.633 930 HB2 ASN 122 HB2 ASN 122 -16.260 9.412 6.195 931 HB3 ASN 122 HB1 ASN 122 -16.189 8.164 4.953 932 HD21 ASN 122 HD21 ASN 122 -16.110 8.168 8.503 933 HD22 ASN 122 HD22 ASN 122 -17.381 7.015 8.701 934 H PHE 123 HN PHE 123 -12.027 8.390 6.207 935 HA PHE 123 HA PHE 123 -11.984 8.603 3.274 936 HB2 PHE 123 HB2 PHE 123 -11.434 10.698 5.037 937 HB3 PHE 123 HB1 PHE 123 -9.850 10.123 4.528 938 HD1 PHE 123 HD2 PHE 123 -9.937 9.498 1.833 939 HD2 PHE 123 HD1 PHE 123 -12.173 12.503 3.852 940 HE1 PHE 123 HE2 PHE 123 -10.164 10.742 -0.278 941 HE2 PHE 123 HE1 PHE 123 -12.405 13.752 1.745 942 HZ PHE 123 HZ PHE 123 -11.399 12.872 -0.323 943 H ARG 124 HN ARG 124 -10.318 7.581 2.243 944 HA ARG 124 HA ARG 124 -8.144 6.440 3.812 945 HB2 ARG 124 HB2 ARG 124 -8.573 4.210 2.582 946 HB3 ARG 124 HB1 ARG 124 -9.563 4.596 3.981 947 HG2 ARG 124 HG2 ARG 124 -10.558 5.388 1.297 948 HG3 ARG 124 HG1 ARG 124 -10.618 3.683 1.751 949 HD2 ARG 124 HD2 ARG 124 -11.847 4.297 3.795 950 HD3 ARG 124 HD1 ARG 124 -11.829 5.983 3.281 951 HE ARG 124 HE ARG 124 -13.533 3.885 2.299 952 HH11 ARG 124 HH11 ARG 124 -12.102 6.985 1.577 953 HH12 ARG 124 HH12 ARG 124 -13.317 7.417 0.421 954 HH21 ARG 124 HH21 ARG 124 -15.132 4.452 0.779 955 HH22 ARG 124 HH22 ARG 124 -15.037 5.979 -0.031 956 H GLN 125 HN GLN 125 -6.282 6.655 2.748 957 HA GLN 125 HA GLN 125 -6.082 6.262 -0.085 958 HB2 GLN 125 HB2 GLN 125 -5.344 8.501 -0.684 959 HB3 GLN 125 HB1 GLN 125 -6.976 8.553 -0.031 960 HG2 GLN 125 HG2 GLN 125 -4.816 8.958 1.922 961 HG3 GLN 125 HG1 GLN 125 -4.994 10.219 0.703 962 HE21 GLN 125 HE21 GLN 125 -5.509 10.233 3.604 963 HE22 GLN 125 HE22 GLN 125 -7.150 10.743 3.780 964 H LEU 126 HN LEU 126 -3.776 6.988 -0.829 965 HA LEU 126 HA LEU 126 -1.925 5.703 0.969 966 HB2 LEU 126 HB2 LEU 126 -1.715 5.161 -1.340 967 HB3 LEU 126 HB1 LEU 126 -1.662 6.851 -1.803 968 HG LEU 126 HG LEU 126 0.503 5.992 0.004 969 HD11 LEU 126 HD11 LEU 126 -0.045 4.606 -2.529 970 HD12 LEU 126 HD12 LEU 126 0.907 4.096 -1.137 971 HD13 LEU 126 HD13 LEU 126 1.605 5.194 -2.327 972 HD21 LEU 126 HD21 LEU 126 0.900 7.309 -2.629 973 HD22 LEU 126 HD22 LEU 126 1.693 7.607 -1.081 974 HD23 LEU 126 HD23 LEU 126 0.060 8.210 -1.366 975 H GLN 127 HN GLN 127 -0.246 6.616 2.065 976 HA GLN 127 HA GLN 127 -0.337 9.521 2.352 977 HB2 GLN 127 HB2 GLN 127 0.445 7.257 4.070 978 HB3 GLN 127 HB1 GLN 127 1.465 8.681 4.216 979 HG2 GLN 127 HG2 GLN 127 -0.465 8.525 5.820 980 HG3 GLN 127 HG1 GLN 127 -0.334 10.028 4.908 981 HE21 GLN 127 HE21 GLN 127 -1.558 6.930 3.767 982 HE22 GLN 127 HE22 GLN 127 -3.174 7.467 3.478 983 H GLU 128 HN GLU 128 2.200 7.014 2.166 984 HA GLU 128 HA GLU 128 3.704 8.710 0.339 985 HB2 GLU 128 HB2 GLU 128 5.182 7.573 2.684 986 HB3 GLU 128 HB1 GLU 128 5.644 8.888 1.615 987 HG2 GLU 128 HG2 GLU 128 3.338 9.098 3.525 988 HG3 GLU 128 HG1 GLU 128 4.991 9.506 3.977 989 H PHE 129 HN PHE 129 5.452 7.610 -0.719 990 HA PHE 129 HA PHE 129 5.434 4.688 -0.510 991 HB2 PHE 129 HB2 PHE 129 3.911 5.707 -2.399 992 HB3 PHE 129 HB1 PHE 129 5.445 5.941 -3.231 993 HD1 PHE 129 HD2 PHE 129 6.830 3.996 -3.839 994 HD2 PHE 129 HD1 PHE 129 2.945 3.551 -2.161 995 HE1 PHE 129 HE2 PHE 129 6.768 1.661 -4.612 996 HE2 PHE 129 HE1 PHE 129 2.877 1.214 -2.929 997 HZ PHE 129 HZ PHE 129 4.790 0.267 -4.157 998 H THR 130 HN THR 130 7.480 4.313 0.085 999 HA THR 130 HA THR 130 9.639 5.861 -1.152 1000 HB THR 130 HB THR 130 11.028 5.166 0.647 1001 HG1 THR 130 HG1 THR 130 10.788 3.200 1.299 1002 HG21 THR 130 HG21 THR 130 8.470 5.353 2.151 1003 HG22 THR 130 HG22 THR 130 9.012 6.730 1.192 1004 HG23 THR 130 HG23 THR 130 10.034 6.097 2.482 1005 H TYR 131 HN TYR 131 11.465 4.834 -2.078 1006 HA TYR 131 HA TYR 131 10.893 2.118 -3.058 1007 HB2 TYR 131 HB2 TYR 131 12.941 3.624 -4.519 1008 HB3 TYR 131 HB1 TYR 131 11.567 2.711 -5.128 1009 HD1 TYR 131 HD2 TYR 131 9.242 3.850 -4.913 1010 HD2 TYR 131 HD1 TYR 131 12.935 5.946 -4.646 1011 HE1 TYR 131 HE2 TYR 131 8.082 5.949 -5.454 1012 HE2 TYR 131 HE1 TYR 131 11.785 8.052 -5.185 1013 HH TYR 131 HH TYR 131 9.586 8.675 -6.460 1014 H LEU 132 HN LEU 132 12.030 0.636 -2.013 1015 HA LEU 132 HA LEU 132 14.581 1.299 -0.803 1016 HB2 LEU 132 HB2 LEU 132 13.403 -1.452 -0.813 1017 HB3 LEU 132 HB1 LEU 132 14.394 -0.678 0.409 1018 HG LEU 132 HG LEU 132 11.482 -0.130 -0.161 1019 HD11 LEU 132 HD11 LEU 132 12.707 -1.105 2.397 1020 HD12 LEU 132 HD12 LEU 132 12.199 -2.216 1.126 1021 HD13 LEU 132 HD13 LEU 132 11.019 -1.152 1.890 1022 HD21 LEU 132 HD21 LEU 132 11.888 1.226 2.069 1023 HD22 LEU 132 HD22 LEU 132 12.137 1.959 0.485 1024 HD23 LEU 132 HD23 LEU 132 13.517 1.363 1.407 1025 H GLY 133 HN GLY 133 16.000 -1.018 -0.947 1026 HA2 GLY 133 HA2 GLY 133 17.121 -0.840 -3.580 1027 HA3 GLY 133 HA1 GLY 133 17.670 -1.891 -2.282 1028 H ASP 134 HN ASP 134 16.069 -3.740 -1.795 1029 HA ASP 134 HA ASP 134 14.325 -4.698 -3.769 1030 HB2 ASP 134 HB2 ASP 134 16.393 -4.890 -5.110 1031 HB3 ASP 134 HB1 ASP 134 17.085 -5.937 -3.874 1032 H ALA 135 HN ALA 135 13.651 -6.946 -3.373 1033 HA ALA 135 HA ALA 135 14.088 -7.667 -0.553 1034 HB1 ALA 135 HB1 ALA 135 11.753 -7.051 -1.480 1035 HB2 ALA 135 HB2 ALA 135 11.913 -8.464 -0.436 1036 HB3 ALA 135 HB3 ALA 135 11.786 -8.668 -2.183 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 12.880 3.955 16.428 2 H2 MET 1 HT2 MET 1 14.110 2.759 16.382 3 H3 MET 1 HT3 MET 1 12.669 2.479 17.273 4 HA MET 1 HA MET 1 12.860 1.343 15.093 5 HB2 MET 1 HB2 MET 1 10.711 2.710 16.409 6 HB3 MET 1 HB1 MET 1 10.435 2.764 14.674 7 HG2 MET 1 HG2 MET 1 9.374 0.831 15.734 8 HG3 MET 1 HG1 MET 1 10.575 0.363 14.533 9 HE1 MET 1 HE1 MET 1 10.571 -0.539 18.989 10 HE2 MET 1 HE2 MET 1 9.196 -0.370 17.898 11 HE3 MET 1 HE3 MET 1 10.108 1.056 18.395 12 H ALA 2 HN ALA 2 11.353 2.172 12.958 13 HA ALA 2 HA ALA 2 13.227 3.468 11.335 14 HB1 ALA 2 HB1 ALA 2 11.002 2.029 10.852 15 HB2 ALA 2 HB2 ALA 2 11.812 3.017 9.636 16 HB3 ALA 2 HB3 ALA 2 10.408 3.651 10.494 17 H ASP 3 HN ASP 3 10.128 4.715 12.589 18 HA ASP 3 HA ASP 3 9.388 6.828 12.991 19 HB2 ASP 3 HB2 ASP 3 12.360 7.238 13.296 20 HB3 ASP 3 HB1 ASP 3 11.202 8.539 13.556 21 H GLU 4 HN GLU 4 9.854 5.962 10.255 22 HA GLU 4 HA GLU 4 10.989 8.018 8.696 23 HB2 GLU 4 HB2 GLU 4 10.103 5.531 8.152 24 HB3 GLU 4 HB1 GLU 4 8.746 6.467 7.539 25 HG2 GLU 4 HG2 GLU 4 10.099 6.227 5.684 26 HG3 GLU 4 HG1 GLU 4 10.529 7.829 6.283 27 H GLN 5 HN GLN 5 7.530 7.207 8.937 28 HA GLN 5 HA GLN 5 6.850 10.002 9.293 29 HB2 GLN 5 HB2 GLN 5 5.939 8.451 6.862 30 HB3 GLN 5 HB1 GLN 5 5.306 10.018 7.349 31 HG2 GLN 5 HG2 GLN 5 8.158 9.442 6.579 32 HG3 GLN 5 HG1 GLN 5 6.946 10.209 5.554 33 HE21 GLN 5 HE21 GLN 5 9.504 11.240 6.458 34 HE22 GLN 5 HE22 GLN 5 9.165 12.699 7.318 35 HA PRO 6 HA PRO 6 3.988 6.717 11.141 36 HB2 PRO 6 HB2 PRO 6 4.590 7.108 13.751 37 HB3 PRO 6 HB1 PRO 6 5.478 5.971 12.730 38 HG2 PRO 6 HG2 PRO 6 6.205 8.763 13.533 39 HG3 PRO 6 HG1 PRO 6 7.228 7.316 13.465 40 HD2 PRO 6 HD2 PRO 6 7.225 9.204 11.517 41 HD3 PRO 6 HD1 PRO 6 7.539 7.488 11.190 42 H LYS 7 HN LYS 7 4.868 9.950 12.307 43 HA LYS 7 HA LYS 7 2.002 10.564 12.536 44 HB2 LYS 7 HB2 LYS 7 4.175 11.055 14.548 45 HB3 LYS 7 HB1 LYS 7 2.770 12.110 14.483 46 HG2 LYS 7 HG2 LYS 7 1.315 10.425 15.132 47 HG3 LYS 7 HG1 LYS 7 2.438 9.144 14.673 48 HD2 LYS 7 HD2 LYS 7 3.719 9.403 16.579 49 HD3 LYS 7 HD1 LYS 7 3.191 11.068 16.831 50 HE2 LYS 7 HE2 LYS 7 1.087 9.004 16.962 51 HE3 LYS 7 HE1 LYS 7 2.280 8.974 18.260 52 HZ1 LYS 7 HZ1 LYS 7 0.148 10.436 18.449 53 HZ2 LYS 7 HZ2 LYS 7 1.048 11.536 17.532 54 HZ3 LYS 7 HZ3 LYS 7 1.630 11.010 19.030 55 H LYS 8 HN LYS 8 1.645 11.958 10.933 56 HA LYS 8 HA LYS 8 2.755 14.546 10.946 57 HB2 LYS 8 HB2 LYS 8 4.077 12.534 9.232 58 HB3 LYS 8 HB1 LYS 8 3.690 14.059 8.447 59 HG2 LYS 8 HG2 LYS 8 4.810 14.982 10.705 60 HG3 LYS 8 HG1 LYS 8 5.672 13.451 10.538 61 HD2 LYS 8 HD2 LYS 8 6.795 14.136 8.702 62 HD3 LYS 8 HD1 LYS 8 5.417 15.039 8.070 63 HE2 LYS 8 HE2 LYS 8 6.659 16.119 10.518 64 HE3 LYS 8 HE1 LYS 8 7.646 16.191 9.058 65 HZ1 LYS 8 HZ1 LYS 8 4.911 17.306 9.379 66 HZ2 LYS 8 HZ2 LYS 8 5.807 17.330 7.944 67 HZ3 LYS 8 HZ3 LYS 8 6.350 18.193 9.293 68 HA PRO 9 HA PRO 9 -0.786 15.405 8.477 69 HB2 PRO 9 HB2 PRO 9 0.067 17.319 6.739 70 HB3 PRO 9 HB1 PRO 9 -0.220 17.629 8.455 71 HG2 PRO 9 HG2 PRO 9 2.359 17.098 7.032 72 HG3 PRO 9 HG1 PRO 9 2.001 18.296 8.289 73 HD2 PRO 9 HD2 PRO 9 3.257 15.968 8.833 74 HD3 PRO 9 HD1 PRO 9 2.157 16.743 9.991 75 H VAL 10 HN VAL 10 -1.820 14.635 6.705 76 HA VAL 10 HA VAL 10 -0.147 13.404 4.620 77 HB VAL 10 HB VAL 10 -1.848 11.795 4.239 78 HG11 VAL 10 HG11 VAL 10 -0.456 11.429 6.236 79 HG12 VAL 10 HG12 VAL 10 -2.053 10.697 6.384 80 HG13 VAL 10 HG13 VAL 10 -1.695 12.207 7.221 81 HG21 VAL 10 HG21 VAL 10 -3.587 13.619 5.863 82 HG22 VAL 10 HG22 VAL 10 -3.990 11.913 5.665 83 HG23 VAL 10 HG23 VAL 10 -3.864 12.960 4.251 84 HA PRO 11 HA PRO 11 -1.882 16.069 1.563 85 HB2 PRO 11 HB2 PRO 11 -1.827 14.515 -0.640 86 HB3 PRO 11 HB1 PRO 11 -0.351 15.122 0.121 87 HG2 PRO 11 HG2 PRO 11 -1.626 12.423 0.344 88 HG3 PRO 11 HG1 PRO 11 0.087 12.839 0.154 89 HD2 PRO 11 HD2 PRO 11 -1.039 12.185 2.551 90 HD3 PRO 11 HD1 PRO 11 0.359 13.266 2.394 91 H ALA 12 HN ALA 12 -3.455 15.666 -0.558 92 HA ALA 12 HA ALA 12 -5.855 14.278 0.422 93 HB1 ALA 12 HB1 ALA 12 -7.248 16.150 -0.335 94 HB2 ALA 12 HB2 ALA 12 -5.794 17.058 -0.747 95 HB3 ALA 12 HB3 ALA 12 -6.125 16.640 0.934 96 H ALA 13 HN ALA 13 -6.510 12.833 -1.015 97 HA ALA 13 HA ALA 13 -6.964 13.396 -3.734 98 HB1 ALA 13 HB1 ALA 13 -4.722 11.444 -3.512 99 HB2 ALA 13 HB2 ALA 13 -4.363 13.171 -3.502 100 HB3 ALA 13 HB3 ALA 13 -5.207 12.454 -4.874 101 H GLU 14 HN GLU 14 -7.730 11.510 -4.936 102 HA GLU 14 HA GLU 14 -7.998 8.952 -3.816 103 HB2 GLU 14 HB2 GLU 14 -9.422 10.113 -2.176 104 HB3 GLU 14 HB1 GLU 14 -10.437 10.708 -3.482 105 HG2 GLU 14 HG2 GLU 14 -11.687 8.924 -2.940 106 HG3 GLU 14 HG1 GLU 14 -10.552 8.082 -3.994 107 H GLU 15 HN GLU 15 -7.542 8.346 -5.923 108 HA GLU 15 HA GLU 15 -9.780 7.991 -7.634 109 HB2 GLU 15 HB2 GLU 15 -7.893 10.219 -8.200 110 HB3 GLU 15 HB1 GLU 15 -8.422 9.245 -9.564 111 HG2 GLU 15 HG2 GLU 15 -10.797 9.694 -8.486 112 HG3 GLU 15 HG1 GLU 15 -9.958 11.107 -7.848 113 H ALA 16 HN ALA 16 -9.046 7.024 -9.799 114 HA ALA 16 HA ALA 16 -6.520 5.552 -9.473 115 HB1 ALA 16 HB1 ALA 16 -7.469 3.506 -9.656 116 HB2 ALA 16 HB2 ALA 16 -8.764 4.079 -10.707 117 HB3 ALA 16 HB3 ALA 16 -8.859 4.346 -8.967 118 HA PRO 17 HA PRO 17 -5.752 6.493 -13.708 119 HB2 PRO 17 HB2 PRO 17 -4.482 4.274 -14.604 120 HB3 PRO 17 HB1 PRO 17 -3.733 5.413 -13.479 121 HG2 PRO 17 HG2 PRO 17 -5.057 2.788 -12.916 122 HG3 PRO 17 HG1 PRO 17 -3.552 3.448 -12.250 123 HD2 PRO 17 HD2 PRO 17 -5.905 3.509 -10.902 124 HD3 PRO 17 HD1 PRO 17 -4.659 4.759 -10.715 125 H ALA 18 HN ALA 18 -5.920 5.492 -16.004 126 HA ALA 18 HA ALA 18 -7.859 3.449 -16.439 127 HB1 ALA 18 HB1 ALA 18 -9.746 4.630 -17.037 128 HB2 ALA 18 HB2 ALA 18 -8.853 6.124 -17.318 129 HB3 ALA 18 HB3 ALA 18 -9.156 5.575 -15.670 130 H ALA 19 HN ALA 19 -5.937 2.879 -17.686 131 HA ALA 19 HA ALA 19 -5.592 4.426 -20.157 132 HB1 ALA 19 HB1 ALA 19 -3.853 2.153 -19.236 133 HB2 ALA 19 HB2 ALA 19 -3.613 3.813 -18.690 134 HB3 ALA 19 HB3 ALA 19 -3.476 3.420 -20.404 135 H GLU 20 HN GLU 20 -5.152 3.084 -22.149 136 HA GLU 20 HA GLU 20 -7.143 0.926 -22.289 137 HB2 GLU 20 HB2 GLU 20 -6.018 2.701 -24.461 138 HB3 GLU 20 HB1 GLU 20 -7.152 1.386 -24.737 139 HG2 GLU 20 HG2 GLU 20 -8.019 3.309 -22.713 140 HG3 GLU 20 HG1 GLU 20 -7.828 3.987 -24.329 141 H ALA 21 HN ALA 21 -6.369 -1.068 -22.348 142 HA ALA 21 HA ALA 21 -5.032 -2.867 -22.742 143 HB1 ALA 21 HB1 ALA 21 -3.639 -1.403 -24.941 144 HB2 ALA 21 HB2 ALA 21 -5.340 -1.835 -25.114 145 HB3 ALA 21 HB3 ALA 21 -4.133 -3.094 -24.854 146 H GLU 22 HN GLU 22 -3.589 -3.270 -21.201 147 HA GLU 22 HA GLU 22 -0.932 -2.148 -21.402 148 HB2 GLU 22 HB2 GLU 22 -0.871 -1.342 -19.081 149 HB3 GLU 22 HB1 GLU 22 -2.044 -0.455 -20.044 150 HG2 GLU 22 HG2 GLU 22 -3.429 -0.820 -18.339 151 HG3 GLU 22 HG1 GLU 22 -3.581 -2.446 -19.004 152 H ALA 23 HN ALA 23 0.385 -3.820 -21.184 153 HA ALA 23 HA ALA 23 -0.430 -6.334 -20.191 154 HB1 ALA 23 HB1 ALA 23 2.181 -5.162 -21.040 155 HB2 ALA 23 HB2 ALA 23 1.265 -6.494 -21.744 156 HB3 ALA 23 HB3 ALA 23 2.146 -6.731 -20.235 157 H GLU 24 HN GLU 24 -0.777 -6.851 -18.142 158 HA GLU 24 HA GLU 24 0.496 -5.342 -16.008 159 HB2 GLU 24 HB2 GLU 24 -2.008 -6.295 -16.232 160 HB3 GLU 24 HB1 GLU 24 -1.266 -7.645 -15.383 161 HG2 GLU 24 HG2 GLU 24 -0.351 -5.602 -13.896 162 HG3 GLU 24 HG1 GLU 24 -1.881 -4.922 -14.450 163 H GLU 25 HN GLU 25 1.698 -6.301 -14.317 164 HA GLU 25 HA GLU 25 3.089 -8.756 -15.137 165 HB2 GLU 25 HB2 GLU 25 4.325 -6.524 -14.725 166 HB3 GLU 25 HB1 GLU 25 4.054 -6.852 -13.019 167 HG2 GLU 25 HG2 GLU 25 6.149 -7.726 -13.341 168 HG3 GLU 25 HG1 GLU 25 5.132 -9.150 -13.555 169 H GLU 26 HN GLU 26 3.169 -10.521 -13.840 170 HA GLU 26 HA GLU 26 2.583 -11.980 -12.197 171 HB2 GLU 26 HB2 GLU 26 3.908 -10.204 -10.882 172 HB3 GLU 26 HB1 GLU 26 2.340 -9.642 -10.319 173 HG2 GLU 26 HG2 GLU 26 3.364 -12.450 -9.979 174 HG3 GLU 26 HG1 GLU 26 3.480 -11.185 -8.757 175 H GLU 27 HN GLU 27 0.583 -12.448 -13.202 176 HA GLU 27 HA GLU 27 -1.781 -10.971 -12.446 177 HB2 GLU 27 HB2 GLU 27 -1.189 -13.283 -14.241 178 HB3 GLU 27 HB1 GLU 27 -2.842 -13.053 -13.686 179 HG2 GLU 27 HG2 GLU 27 -1.451 -10.693 -14.801 180 HG3 GLU 27 HG1 GLU 27 -1.907 -11.972 -15.925 181 H GLY 28 HN GLY 28 -2.547 -11.214 -10.446 182 HA2 GLY 28 HA2 GLY 28 -2.934 -13.960 -9.456 183 HA3 GLY 28 HA1 GLY 28 -2.195 -12.754 -8.414 184 H LEU 29 HN LEU 29 -4.862 -14.349 -8.552 185 HA LEU 29 HA LEU 29 -7.006 -14.040 -7.860 186 HB2 LEU 29 HB2 LEU 29 -5.639 -11.609 -6.774 187 HB3 LEU 29 HB1 LEU 29 -7.380 -11.763 -6.631 188 HG LEU 29 HG LEU 29 -5.433 -13.816 -5.587 189 HD11 LEU 29 HD11 LEU 29 -5.600 -11.327 -4.589 190 HD12 LEU 29 HD12 LEU 29 -5.298 -12.757 -3.601 191 HD13 LEU 29 HD13 LEU 29 -6.928 -12.095 -3.719 192 HD21 LEU 29 HD21 LEU 29 -7.211 -14.977 -4.821 193 HD22 LEU 29 HD22 LEU 29 -8.037 -14.165 -6.151 194 HD23 LEU 29 HD23 LEU 29 -8.165 -13.526 -4.512 195 H HIS 30 HN HIS 30 -8.910 -12.351 -7.982 196 HA HIS 30 HA HIS 30 -8.706 -10.858 -10.507 197 HB2 HIS 30 HB2 HIS 30 -10.590 -13.043 -9.786 198 HB3 HIS 30 HB1 HIS 30 -11.249 -11.678 -10.682 199 HD1 HIS 30 HD1 HIS 30 -11.395 -14.137 -12.225 200 HD2 HIS 30 HD2 HIS 30 -7.892 -11.903 -12.121 201 HE1 HIS 30 HE1 HIS 30 -10.108 -14.808 -14.279 202 HE2 HIS 30 HE2 HIS 30 -7.955 -13.507 -14.150 203 H LEU 31 HN LEU 31 -11.054 -9.689 -10.738 204 HA LEU 31 HA LEU 31 -11.653 -8.429 -8.150 205 HB2 LEU 31 HB2 LEU 31 -10.790 -7.146 -10.697 206 HB3 LEU 31 HB1 LEU 31 -11.970 -6.308 -9.707 207 HG LEU 31 HG LEU 31 -9.274 -7.215 -8.701 208 HD11 LEU 31 HD11 LEU 31 -8.380 -5.155 -9.163 209 HD12 LEU 31 HD12 LEU 31 -9.954 -4.363 -9.227 210 HD13 LEU 31 HD13 LEU 31 -9.425 -5.383 -10.565 211 HD21 LEU 31 HD21 LEU 31 -9.813 -6.320 -6.700 212 HD22 LEU 31 HD22 LEU 31 -11.458 -6.661 -7.236 213 HD23 LEU 31 HD23 LEU 31 -10.792 -5.038 -7.415 214 H GLU 32 HN GLU 32 -13.701 -7.102 -8.269 215 HA GLU 32 HA GLU 32 -15.681 -8.572 -9.873 216 HB2 GLU 32 HB2 GLU 32 -17.327 -7.861 -8.189 217 HB3 GLU 32 HB1 GLU 32 -16.008 -8.772 -7.468 218 HG2 GLU 32 HG2 GLU 32 -14.964 -6.628 -6.793 219 HG3 GLU 32 HG1 GLU 32 -16.390 -5.789 -7.403 220 H ASP 33 HN ASP 33 -14.878 -5.316 -8.698 221 HA ASP 33 HA ASP 33 -15.550 -4.100 -11.172 222 HB2 ASP 33 HB2 ASP 33 -17.837 -4.573 -10.250 223 HB3 ASP 33 HB1 ASP 33 -17.456 -3.507 -8.901 224 H ASP 34 HN ASP 34 -15.376 -3.511 -7.669 225 HA ASP 34 HA ASP 34 -14.498 -0.856 -7.803 226 HB2 ASP 34 HB2 ASP 34 -15.277 -2.343 -5.773 227 HB3 ASP 34 HB1 ASP 34 -13.553 -2.658 -5.608 228 H GLN 35 HN GLN 35 -12.302 -0.113 -7.035 229 HA GLN 35 HA GLN 35 -10.331 -0.998 -8.854 230 HB2 GLN 35 HB2 GLN 35 -10.411 0.941 -6.587 231 HB3 GLN 35 HB1 GLN 35 -8.842 0.448 -7.208 232 HG2 GLN 35 HG2 GLN 35 -9.273 2.339 -8.435 233 HG3 GLN 35 HG1 GLN 35 -9.838 1.066 -9.516 234 HE21 GLN 35 HE21 GLN 35 -12.149 0.598 -9.489 235 HE22 GLN 35 HE22 GLN 35 -13.259 1.892 -9.204 236 H GLU 36 HN GLU 36 -9.887 -0.857 -5.329 237 HA GLU 36 HA GLU 36 -9.084 -3.632 -5.223 238 HB2 GLU 36 HB2 GLU 36 -7.119 -1.374 -4.961 239 HB3 GLU 36 HB1 GLU 36 -6.856 -2.894 -4.117 240 HG2 GLU 36 HG2 GLU 36 -7.148 -2.539 -7.091 241 HG3 GLU 36 HG1 GLU 36 -5.649 -2.846 -6.215 242 HA PRO 37 HA PRO 37 -11.260 -1.774 -1.469 243 HB2 PRO 37 HB2 PRO 37 -12.342 -4.548 -1.606 244 HB3 PRO 37 HB1 PRO 37 -13.176 -3.030 -1.252 245 HG2 PRO 37 HG2 PRO 37 -13.453 -4.207 -3.623 246 HG3 PRO 37 HG1 PRO 37 -13.336 -2.442 -3.490 247 HD2 PRO 37 HD2 PRO 37 -11.284 -4.419 -4.381 248 HD3 PRO 37 HD1 PRO 37 -11.595 -2.771 -4.965 249 H ARG 38 HN ARG 38 -11.255 -2.674 0.754 250 HA ARG 38 HA ARG 38 -9.770 -4.949 1.475 251 HB2 ARG 38 HB2 ARG 38 -7.791 -3.708 2.472 252 HB3 ARG 38 HB1 ARG 38 -7.796 -3.886 0.723 253 HG2 ARG 38 HG2 ARG 38 -7.213 -1.697 0.885 254 HG3 ARG 38 HG1 ARG 38 -8.969 -1.527 0.832 255 HD2 ARG 38 HD2 ARG 38 -8.069 -0.140 2.594 256 HD3 ARG 38 HD1 ARG 38 -9.009 -1.457 3.295 257 HE ARG 38 HE ARG 38 -6.494 -2.438 3.306 258 HH11 ARG 38 HH11 ARG 38 -7.881 0.551 4.457 259 HH12 ARG 38 HH12 ARG 38 -6.732 0.736 5.739 260 HH21 ARG 38 HH21 ARG 38 -4.982 -2.197 4.992 261 HH22 ARG 38 HH22 ARG 38 -5.086 -0.824 6.043 262 H GLU 39 HN GLU 39 -9.188 -4.903 3.861 263 HA GLU 39 HA GLU 39 -11.361 -3.558 5.282 264 HB2 GLU 39 HB2 GLU 39 -10.534 -6.133 5.398 265 HB3 GLU 39 HB1 GLU 39 -9.609 -5.452 6.729 266 HG2 GLU 39 HG2 GLU 39 -11.423 -5.167 8.021 267 HG3 GLU 39 HG1 GLU 39 -12.450 -4.708 6.664 268 H HIS 40 HN HIS 40 -10.425 -3.438 7.830 269 HA HIS 40 HA HIS 40 -8.347 -1.374 7.614 270 HB2 HIS 40 HB2 HIS 40 -9.194 -0.650 9.868 271 HB3 HIS 40 HB1 HIS 40 -10.370 -0.510 8.565 272 HD1 HIS 40 HD1 HIS 40 -9.570 -2.617 11.585 273 HD2 HIS 40 HD2 HIS 40 -12.669 -2.001 8.887 274 HE1 HIS 40 HE1 HIS 40 -11.538 -3.868 12.525 275 HE2 HIS 40 HE2 HIS 40 -13.377 -3.552 10.832 276 HA PRO 41 HA PRO 41 -5.466 -3.882 9.826 277 HB2 PRO 41 HB2 PRO 41 -3.938 -1.983 11.007 278 HB3 PRO 41 HB1 PRO 41 -3.880 -2.311 9.271 279 HG2 PRO 41 HG2 PRO 41 -5.332 -0.145 10.742 280 HG3 PRO 41 HG1 PRO 41 -4.392 -0.042 9.242 281 HD2 PRO 41 HD2 PRO 41 -7.101 -0.164 9.268 282 HD3 PRO 41 HD1 PRO 41 -6.123 -0.849 7.954 283 H ILE 42 HN ILE 42 -4.252 -3.566 12.185 284 HA ILE 42 HA ILE 42 -6.450 -3.339 14.137 285 HB ILE 42 HB ILE 42 -5.747 -5.679 13.782 286 HG12 ILE 42 HG12 ILE 42 -5.391 -6.240 16.155 287 HG13 ILE 42 HG11 ILE 42 -4.991 -4.559 16.491 288 HG21 ILE 42 HG21 ILE 42 -3.254 -4.750 13.468 289 HG22 ILE 42 HG22 ILE 42 -3.616 -6.421 13.901 290 HG23 ILE 42 HG23 ILE 42 -3.166 -5.264 15.153 291 HD11 ILE 42 HD11 ILE 42 -7.518 -5.799 16.526 292 HD12 ILE 42 HD12 ILE 42 -7.517 -4.650 15.188 293 HD13 ILE 42 HD13 ILE 42 -7.126 -4.105 16.819 294 H MET 43 HN MET 43 -5.875 -2.656 16.273 295 HA MET 43 HA MET 43 -4.220 -0.431 16.390 296 HB2 MET 43 HB2 MET 43 -4.438 -0.619 18.854 297 HB3 MET 43 HB1 MET 43 -5.975 -0.775 18.014 298 HG2 MET 43 HG2 MET 43 -5.217 -3.367 18.178 299 HG3 MET 43 HG1 MET 43 -4.508 -2.714 19.653 300 HE1 MET 43 HE1 MET 43 -6.584 -4.821 18.819 301 HE2 MET 43 HE2 MET 43 -8.291 -4.401 18.954 302 HE3 MET 43 HE3 MET 43 -7.380 -4.859 20.392 303 H GLY 44 HN GLY 44 -2.169 -0.038 17.227 304 HA2 GLY 44 HA2 GLY 44 -0.442 -1.664 18.552 305 HA3 GLY 44 HA1 GLY 44 -0.296 -2.204 16.886 306 H GLY 45 HN GLY 45 1.964 -1.514 17.198 307 HA2 GLY 45 HA2 GLY 45 2.235 1.303 16.414 308 HA3 GLY 45 HA1 GLY 45 3.187 0.712 17.767 309 H ILE 46 HN ILE 46 5.002 1.430 16.413 310 HA ILE 46 HA ILE 46 5.586 0.019 13.988 311 HB ILE 46 HB ILE 46 7.526 1.593 15.679 312 HG12 ILE 46 HG12 ILE 46 5.496 2.923 15.180 313 HG13 ILE 46 HG11 ILE 46 6.925 3.551 14.365 314 HG21 ILE 46 HG21 ILE 46 8.675 1.945 13.539 315 HG22 ILE 46 HG22 ILE 46 7.479 0.925 12.739 316 HG23 ILE 46 HG23 ILE 46 8.557 0.234 13.952 317 HD11 ILE 46 HD11 ILE 46 5.961 1.914 12.457 318 HD12 ILE 46 HD12 ILE 46 5.551 3.623 12.597 319 HD13 ILE 46 HD13 ILE 46 4.465 2.400 13.255 320 H TYR 47 HN TYR 47 5.327 -2.163 14.861 321 HA TYR 47 HA TYR 47 7.784 -3.427 15.321 322 HB2 TYR 47 HB2 TYR 47 7.188 -2.274 17.610 323 HB3 TYR 47 HB1 TYR 47 6.103 -3.649 17.789 324 HD1 TYR 47 HD2 TYR 47 7.240 -5.999 17.305 325 HD2 TYR 47 HD1 TYR 47 9.340 -2.471 18.420 326 HE1 TYR 47 HE2 TYR 47 9.111 -7.375 18.109 327 HE2 TYR 47 HE1 TYR 47 11.218 -3.838 19.227 328 HH TYR 47 HH TYR 47 11.937 -6.623 18.445 329 H ASP 48 HN ASP 48 4.300 -3.603 15.924 330 HA ASP 48 HA ASP 48 4.135 -6.433 15.709 331 HB2 ASP 48 HB2 ASP 48 1.988 -4.327 15.373 332 HB3 ASP 48 HB1 ASP 48 1.697 -6.056 15.544 333 H ALA 49 HN ALA 49 4.197 -7.664 13.955 334 HA ALA 49 HA ALA 49 3.309 -6.568 11.389 335 HB1 ALA 49 HB1 ALA 49 5.962 -7.940 11.807 336 HB2 ALA 49 HB2 ALA 49 5.715 -6.239 11.415 337 HB3 ALA 49 HB3 ALA 49 5.280 -7.486 10.245 338 HA PRO 50 HA PRO 50 2.104 -11.051 12.253 339 HB2 PRO 50 HB2 PRO 50 -0.487 -10.751 12.887 340 HB3 PRO 50 HB1 PRO 50 0.791 -10.593 14.098 341 HG2 PRO 50 HG2 PRO 50 -0.709 -8.453 12.638 342 HG3 PRO 50 HG1 PRO 50 -0.261 -8.535 14.352 343 HD2 PRO 50 HD2 PRO 50 1.125 -7.087 12.489 344 HD3 PRO 50 HD1 PRO 50 1.857 -7.754 13.961 345 H LEU 51 HN LEU 51 0.101 -8.511 10.813 346 HA LEU 51 HA LEU 51 -1.078 -8.389 8.870 347 HB2 LEU 51 HB2 LEU 51 1.399 -9.091 8.178 348 HB3 LEU 51 HB1 LEU 51 0.565 -10.528 7.619 349 HG LEU 51 HG LEU 51 0.037 -7.693 6.727 350 HD11 LEU 51 HD11 LEU 51 2.046 -9.308 5.929 351 HD12 LEU 51 HD12 LEU 51 1.272 -8.107 4.895 352 HD13 LEU 51 HD13 LEU 51 0.774 -9.797 4.810 353 HD21 LEU 51 HD21 LEU 51 -1.485 -10.215 6.389 354 HD22 LEU 51 HD22 LEU 51 -1.346 -9.150 4.990 355 HD23 LEU 51 HD23 LEU 51 -2.056 -8.550 6.488 356 H ASN 52 HN ASN 52 -2.816 -9.455 10.128 357 HA ASN 52 HA ASN 52 -3.324 -12.220 9.951 358 HB2 ASN 52 HB2 ASN 52 -5.262 -9.929 10.339 359 HB3 ASN 52 HB1 ASN 52 -5.634 -11.628 10.615 360 HD21 ASN 52 HD21 ASN 52 -5.020 -12.580 12.480 361 HD22 ASN 52 HD22 ASN 52 -4.213 -11.759 13.767 362 H ASN 53 HN ASN 53 -4.588 -9.491 8.051 363 HA ASN 53 HA ASN 53 -6.101 -11.129 6.288 364 HB2 ASN 53 HB2 ASN 53 -5.332 -8.258 6.409 365 HB3 ASN 53 HB1 ASN 53 -5.871 -8.892 4.858 366 HD21 ASN 53 HD21 ASN 53 -7.821 -10.598 5.458 367 HD22 ASN 53 HD22 ASN 53 -9.119 -9.804 6.276 368 H GLU 54 HN GLU 54 -4.124 -12.617 6.043 369 HA GLU 54 HA GLU 54 -2.404 -11.699 3.845 370 HB2 GLU 54 HB2 GLU 54 -2.029 -13.547 6.112 371 HB3 GLU 54 HB1 GLU 54 -1.340 -14.090 4.588 372 HG2 GLU 54 HG2 GLU 54 -0.670 -11.350 4.962 373 HG3 GLU 54 HG1 GLU 54 -0.285 -12.236 6.437 374 H ASN 55 HN ASN 55 -5.266 -12.858 3.832 375 HA ASN 55 HA ASN 55 -5.253 -15.392 2.666 376 HB2 ASN 55 HB2 ASN 55 -7.201 -13.168 2.033 377 HB3 ASN 55 HB1 ASN 55 -7.486 -14.901 1.902 378 HD21 ASN 55 HD21 ASN 55 -7.339 -12.176 3.997 379 HD22 ASN 55 HD22 ASN 55 -7.912 -12.967 5.422 380 H GLY 56 HN GLY 56 -4.590 -12.245 1.306 381 HA2 GLY 56 HA2 GLY 56 -3.045 -12.418 -0.666 382 HA3 GLY 56 HA1 GLY 56 -4.242 -13.512 -1.341 383 H PHE 57 HN PHE 57 -6.596 -12.251 -0.842 384 HA PHE 57 HA PHE 57 -6.683 -10.300 -2.873 385 HB2 PHE 57 HB2 PHE 57 -8.546 -11.846 -1.642 386 HB3 PHE 57 HB1 PHE 57 -8.885 -10.285 -0.903 387 HD1 PHE 57 HD2 PHE 57 -8.364 -8.423 -3.086 388 HD2 PHE 57 HD1 PHE 57 -10.263 -12.231 -3.136 389 HE1 PHE 57 HE2 PHE 57 -9.641 -7.755 -5.080 390 HE2 PHE 57 HE1 PHE 57 -11.543 -11.571 -5.131 391 HZ PHE 57 HZ PHE 57 -11.233 -9.330 -6.105 392 H ASP 58 HN ASP 58 -6.653 -10.060 0.651 393 HA ASP 58 HA ASP 58 -7.044 -7.247 0.747 394 HB2 ASP 58 HB2 ASP 58 -7.377 -8.981 2.625 395 HB3 ASP 58 HB1 ASP 58 -5.640 -8.842 2.879 396 H LYS 59 HN LYS 59 -4.133 -9.264 1.161 397 HA LYS 59 HA LYS 59 -2.307 -7.171 1.447 398 HB2 LYS 59 HB2 LYS 59 -0.598 -8.772 1.093 399 HB3 LYS 59 HB1 LYS 59 -1.913 -9.639 1.872 400 HG2 LYS 59 HG2 LYS 59 -2.607 -10.535 -0.291 401 HG3 LYS 59 HG1 LYS 59 -1.284 -9.666 -1.072 402 HD2 LYS 59 HD2 LYS 59 -0.496 -11.361 1.198 403 HD3 LYS 59 HD1 LYS 59 -1.133 -12.232 -0.198 404 HE2 LYS 59 HE2 LYS 59 0.550 -11.458 -1.605 405 HE3 LYS 59 HE1 LYS 59 0.949 -10.108 -0.543 406 HZ1 LYS 59 HZ1 LYS 59 1.674 -11.895 1.093 407 HZ2 LYS 59 HZ2 LYS 59 2.671 -11.628 -0.247 408 HZ3 LYS 59 HZ3 LYS 59 1.635 -12.964 -0.218 409 H GLU 60 HN GLU 60 -3.370 -8.889 -1.467 410 HA GLU 60 HA GLU 60 -1.700 -7.491 -3.266 411 HB2 GLU 60 HB2 GLU 60 -4.230 -9.083 -3.602 412 HB3 GLU 60 HB1 GLU 60 -3.476 -8.271 -4.967 413 HG2 GLU 60 HG2 GLU 60 -1.348 -9.574 -3.977 414 HG3 GLU 60 HG1 GLU 60 -2.637 -10.673 -3.488 415 H ASP 61 HN ASP 61 -4.997 -6.943 -2.126 416 HA ASP 61 HA ASP 61 -5.678 -4.849 -3.856 417 HB2 ASP 61 HB2 ASP 61 -6.616 -5.719 -1.150 418 HB3 ASP 61 HB1 ASP 61 -7.167 -4.175 -1.792 419 H LEU 62 HN LEU 62 -4.211 -4.776 -0.621 420 HA LEU 62 HA LEU 62 -4.017 -1.974 -0.416 421 HB2 LEU 62 HB2 LEU 62 -3.684 -3.884 1.347 422 HB3 LEU 62 HB1 LEU 62 -2.004 -3.770 0.857 423 HG LEU 62 HG LEU 62 -2.232 -2.409 2.772 424 HD11 LEU 62 HD11 LEU 62 -2.463 -0.357 0.614 425 HD12 LEU 62 HD12 LEU 62 -1.080 -1.450 0.671 426 HD13 LEU 62 HD13 LEU 62 -1.412 -0.377 2.030 427 HD21 LEU 62 HD21 LEU 62 -4.014 -1.148 3.337 428 HD22 LEU 62 HD22 LEU 62 -4.838 -2.226 2.210 429 HD23 LEU 62 HD23 LEU 62 -4.311 -0.629 1.678 430 H ALA 63 HN ALA 63 -1.540 -4.383 -1.300 431 HA ALA 63 HA ALA 63 0.521 -2.600 -1.863 432 HB1 ALA 63 HB1 ALA 63 1.589 -4.385 -3.033 433 HB2 ALA 63 HB2 ALA 63 0.051 -5.206 -3.299 434 HB3 ALA 63 HB3 ALA 63 0.717 -5.086 -1.670 435 H ARG 64 HN ARG 64 -1.787 -4.069 -4.149 436 HA ARG 64 HA ARG 64 -0.897 -2.654 -6.410 437 HB2 ARG 64 HB2 ARG 64 -2.518 -4.725 -6.131 438 HB3 ARG 64 HB1 ARG 64 -3.757 -3.478 -6.172 439 HG2 ARG 64 HG2 ARG 64 -1.693 -4.020 -8.296 440 HG3 ARG 64 HG1 ARG 64 -3.416 -4.393 -8.378 441 HD2 ARG 64 HD2 ARG 64 -3.743 -1.864 -7.962 442 HD3 ARG 64 HD1 ARG 64 -2.054 -1.726 -8.449 443 HE ARG 64 HE ARG 64 -2.737 -1.977 -10.603 444 HH11 ARG 64 HH11 ARG 64 -5.152 -3.412 -8.532 445 HH12 ARG 64 HH12 ARG 64 -6.223 -3.797 -9.837 446 HH21 ARG 64 HH21 ARG 64 -4.145 -2.482 -12.321 447 HH22 ARG 64 HH22 ARG 64 -5.651 -3.269 -11.988 448 H PHE 65 HN PHE 65 -3.369 -1.925 -3.997 449 HA PHE 65 HA PHE 65 -4.492 0.305 -5.301 450 HB2 PHE 65 HB2 PHE 65 -5.632 -0.796 -3.452 451 HB3 PHE 65 HB1 PHE 65 -4.338 -0.341 -2.349 452 HD1 PHE 65 HD2 PHE 65 -6.775 1.219 -4.701 453 HD2 PHE 65 HD1 PHE 65 -4.613 1.532 -1.049 454 HE1 PHE 65 HE2 PHE 65 -7.958 3.314 -4.185 455 HE2 PHE 65 HE1 PHE 65 -5.792 3.627 -0.526 456 HZ PHE 65 HZ PHE 65 -7.467 4.521 -2.095 457 H ALA 66 HN ALA 66 -2.094 0.180 -2.660 458 HA ALA 66 HA ALA 66 -1.588 2.923 -2.544 459 HB1 ALA 66 HB1 ALA 66 -0.236 0.481 -1.598 460 HB2 ALA 66 HB2 ALA 66 -0.667 1.952 -0.728 461 HB3 ALA 66 HB3 ALA 66 0.775 1.918 -1.742 462 H VAL 67 HN VAL 67 0.332 0.400 -4.188 463 HA VAL 67 HA VAL 67 2.219 2.039 -5.368 464 HB VAL 67 HB VAL 67 1.029 -0.449 -6.604 465 HG11 VAL 67 HG11 VAL 67 2.333 0.476 -8.277 466 HG12 VAL 67 HG12 VAL 67 3.477 -0.588 -7.458 467 HG13 VAL 67 HG13 VAL 67 3.501 1.147 -7.138 468 HG21 VAL 67 HG21 VAL 67 3.573 -0.677 -5.180 469 HG22 VAL 67 HG22 VAL 67 2.156 -1.726 -5.149 470 HG23 VAL 67 HG23 VAL 67 2.204 -0.280 -4.141 471 H ARG 68 HN ARG 68 -0.824 0.892 -6.833 472 HA ARG 68 HA ARG 68 -0.587 2.406 -9.195 473 HB2 ARG 68 HB2 ARG 68 -2.081 0.499 -9.061 474 HB3 ARG 68 HB1 ARG 68 -3.037 1.292 -7.818 475 HG2 ARG 68 HG2 ARG 68 -3.857 2.904 -9.358 476 HG3 ARG 68 HG1 ARG 68 -2.712 2.389 -10.599 477 HD2 ARG 68 HD2 ARG 68 -4.414 0.235 -9.592 478 HD3 ARG 68 HD1 ARG 68 -5.307 1.539 -10.373 479 HE ARG 68 HE ARG 68 -3.039 0.622 -11.883 480 HH11 ARG 68 HH11 ARG 68 -6.422 0.106 -11.203 481 HH12 ARG 68 HH12 ARG 68 -6.733 -0.686 -12.711 482 HH21 ARG 68 HH21 ARG 68 -3.446 -0.418 -13.867 483 HH22 ARG 68 HH22 ARG 68 -5.043 -0.984 -14.224 484 H GLU 69 HN GLU 69 -1.773 3.188 -6.012 485 HA GLU 69 HA GLU 69 -3.256 5.496 -6.677 486 HB2 GLU 69 HB2 GLU 69 -3.481 4.372 -4.515 487 HB3 GLU 69 HB1 GLU 69 -1.824 4.796 -4.107 488 HG2 GLU 69 HG2 GLU 69 -3.426 6.253 -2.998 489 HG3 GLU 69 HG1 GLU 69 -2.399 7.151 -4.113 490 H TYR 70 HN TYR 70 0.129 5.022 -5.745 491 HA TYR 70 HA TYR 70 0.675 7.857 -6.079 492 HB2 TYR 70 HB2 TYR 70 2.554 7.514 -4.847 493 HB3 TYR 70 HB1 TYR 70 1.690 6.063 -4.357 494 HD1 TYR 70 HD2 TYR 70 4.334 7.351 -6.599 495 HD2 TYR 70 HD1 TYR 70 2.518 3.907 -4.887 496 HE1 TYR 70 HE2 TYR 70 6.205 5.973 -7.402 497 HE2 TYR 70 HE1 TYR 70 4.385 2.518 -5.686 498 HH TYR 70 HH TYR 70 6.946 3.050 -6.288 499 H ASN 71 HN ASN 71 0.687 5.055 -7.985 500 HA ASN 71 HA ASN 71 2.762 5.956 -9.797 501 HB2 ASN 71 HB2 ASN 71 1.081 3.519 -9.518 502 HB3 ASN 71 HB1 ASN 71 1.674 3.909 -11.130 503 HD21 ASN 71 HD21 ASN 71 4.117 4.856 -10.771 504 HD22 ASN 71 HD22 ASN 71 5.141 3.696 -10.004 505 H ASN 72 HN ASN 72 -0.745 5.879 -9.645 506 HA ASN 72 HA ASN 72 -1.141 6.613 -12.376 507 HB2 ASN 72 HB2 ASN 72 -3.425 6.610 -11.908 508 HB3 ASN 72 HB1 ASN 72 -2.790 5.450 -10.748 509 HD21 ASN 72 HD21 ASN 72 -2.681 6.016 -8.563 510 HD22 ASN 72 HD22 ASN 72 -3.601 7.329 -7.919 511 H LYS 73 HN LYS 73 -0.877 8.381 -9.349 512 HA LYS 73 HA LYS 73 -1.841 10.854 -10.061 513 HB2 LYS 73 HB2 LYS 73 0.030 11.735 -8.491 514 HB3 LYS 73 HB1 LYS 73 -1.229 10.698 -7.835 515 HG2 LYS 73 HG2 LYS 73 0.216 8.826 -7.785 516 HG3 LYS 73 HG1 LYS 73 1.441 9.660 -8.742 517 HD2 LYS 73 HD2 LYS 73 1.189 11.368 -6.662 518 HD3 LYS 73 HD1 LYS 73 0.836 9.835 -5.863 519 HE2 LYS 73 HE2 LYS 73 2.945 9.042 -6.149 520 HE3 LYS 73 HE1 LYS 73 3.172 9.890 -7.678 521 HZ1 LYS 73 HZ1 LYS 73 3.000 11.464 -5.209 522 HZ2 LYS 73 HZ2 LYS 73 3.857 11.784 -6.632 523 HZ3 LYS 73 HZ3 LYS 73 4.437 10.633 -5.537 524 H ASN 74 HN ASN 74 1.390 9.538 -10.712 525 HA ASN 74 HA ASN 74 1.711 10.974 -13.097 526 HB2 ASN 74 HB2 ASN 74 3.218 12.720 -12.542 527 HB3 ASN 74 HB1 ASN 74 1.885 12.862 -11.403 528 HD21 ASN 74 HD21 ASN 74 2.315 11.350 -9.389 529 HD22 ASN 74 HD22 ASN 74 3.862 11.585 -8.658 530 H ASN 75 HN ASN 75 3.317 9.485 -10.340 531 HA ASN 75 HA ASN 75 5.793 8.898 -11.338 532 HB2 ASN 75 HB2 ASN 75 4.315 8.109 -9.135 533 HB3 ASN 75 HB1 ASN 75 4.642 6.592 -9.967 534 HD21 ASN 75 HD21 ASN 75 6.724 5.836 -10.102 535 HD22 ASN 75 HD22 ASN 75 8.030 6.516 -9.200 536 H ALA 76 HN ALA 76 6.574 6.611 -11.946 537 HA ALA 76 HA ALA 76 5.716 6.009 -14.519 538 HB1 ALA 76 HB1 ALA 76 7.333 4.397 -14.542 539 HB2 ALA 76 HB2 ALA 76 6.971 3.852 -12.904 540 HB3 ALA 76 HB3 ALA 76 7.876 5.344 -13.156 541 H LEU 77 HN LEU 77 5.354 3.335 -14.810 542 HA LEU 77 HA LEU 77 2.799 2.840 -13.428 543 HB2 LEU 77 HB2 LEU 77 3.025 3.322 -16.060 544 HB3 LEU 77 HB1 LEU 77 3.283 1.588 -16.068 545 HG LEU 77 HG LEU 77 0.965 1.964 -16.464 546 HD11 LEU 77 HD11 LEU 77 -0.060 0.978 -14.366 547 HD12 LEU 77 HD12 LEU 77 1.555 1.058 -13.660 548 HD13 LEU 77 HD13 LEU 77 1.267 0.072 -15.094 549 HD21 LEU 77 HD21 LEU 77 1.255 3.937 -14.255 550 HD22 LEU 77 HD22 LEU 77 -0.306 3.148 -14.486 551 HD23 LEU 77 HD23 LEU 77 0.412 4.082 -15.798 552 H LEU 78 HN LEU 78 5.233 1.965 -12.376 553 HA LEU 78 HA LEU 78 6.071 -0.586 -13.065 554 HB2 LEU 78 HB2 LEU 78 6.531 -0.773 -10.503 555 HB3 LEU 78 HB1 LEU 78 7.432 0.363 -11.485 556 HG LEU 78 HG LEU 78 5.177 1.777 -10.558 557 HD11 LEU 78 HD11 LEU 78 5.012 -0.121 -8.897 558 HD12 LEU 78 HD12 LEU 78 5.136 1.504 -8.223 559 HD13 LEU 78 HD13 LEU 78 6.547 0.447 -8.242 560 HD21 LEU 78 HD21 LEU 78 7.179 2.693 -9.019 561 HD22 LEU 78 HD22 LEU 78 6.999 3.099 -10.725 562 HD23 LEU 78 HD23 LEU 78 8.108 1.819 -10.236 563 H GLU 79 HN GLU 79 5.754 -2.533 -11.442 564 HA GLU 79 HA GLU 79 2.938 -2.803 -10.693 565 HB2 GLU 79 HB2 GLU 79 4.361 -4.400 -12.781 566 HB3 GLU 79 HB1 GLU 79 3.144 -5.190 -11.788 567 HG2 GLU 79 HG2 GLU 79 1.710 -4.493 -13.343 568 HG3 GLU 79 HG1 GLU 79 1.842 -2.926 -12.546 569 H PHE 80 HN PHE 80 2.641 -3.929 -8.864 570 HA PHE 80 HA PHE 80 4.984 -4.924 -7.487 571 HB2 PHE 80 HB2 PHE 80 3.820 -4.595 -5.566 572 HB3 PHE 80 HB1 PHE 80 2.801 -3.599 -6.598 573 HD1 PHE 80 HD1 PHE 80 0.697 -4.610 -7.551 574 HD2 PHE 80 HD2 PHE 80 2.974 -6.487 -4.485 575 HE1 PHE 80 HE1 PHE 80 -1.244 -6.005 -6.969 576 HE2 PHE 80 HE2 PHE 80 1.038 -7.888 -3.898 577 HZ PHE 80 HZ PHE 80 -1.075 -7.647 -5.142 578 H VAL 81 HN VAL 81 5.231 -7.038 -6.672 579 HA VAL 81 HA VAL 81 3.773 -9.058 -8.230 580 HB VAL 81 HB VAL 81 5.676 -10.580 -7.484 581 HG11 VAL 81 HG11 VAL 81 7.100 -9.879 -9.278 582 HG12 VAL 81 HG12 VAL 81 6.458 -8.238 -9.212 583 HG13 VAL 81 HG13 VAL 81 5.429 -9.567 -9.746 584 HG21 VAL 81 HG21 VAL 81 7.650 -9.681 -6.613 585 HG22 VAL 81 HG22 VAL 81 6.377 -8.898 -5.678 586 HG23 VAL 81 HG23 VAL 81 7.171 -8.026 -6.989 587 H ARG 82 HN ARG 82 4.710 -8.140 -4.968 588 HA ARG 82 HA ARG 82 2.506 -9.248 -3.716 589 HB2 ARG 82 HB2 ARG 82 3.528 -11.204 -2.563 590 HB3 ARG 82 HB1 ARG 82 3.294 -11.438 -4.290 591 HG2 ARG 82 HG2 ARG 82 5.737 -10.593 -4.457 592 HG3 ARG 82 HG1 ARG 82 5.812 -11.055 -2.757 593 HD2 ARG 82 HD2 ARG 82 5.624 -13.282 -3.210 594 HD3 ARG 82 HD1 ARG 82 4.645 -13.014 -4.652 595 HE ARG 82 HE ARG 82 7.223 -12.062 -5.158 596 HH11 ARG 82 HH11 ARG 82 5.598 -15.094 -4.571 597 HH12 ARG 82 HH12 ARG 82 6.727 -16.023 -5.498 598 HH21 ARG 82 HH21 ARG 82 8.710 -13.282 -6.379 599 HH22 ARG 82 HH22 ARG 82 8.494 -14.994 -6.524 600 H VAL 83 HN VAL 83 2.735 -9.314 -1.313 601 HA VAL 83 HA VAL 83 4.459 -7.139 -0.481 602 HB VAL 83 HB VAL 83 3.209 -7.066 1.543 603 HG11 VAL 83 HG11 VAL 83 0.801 -7.635 0.156 604 HG12 VAL 83 HG12 VAL 83 1.958 -6.985 -1.005 605 HG13 VAL 83 HG13 VAL 83 1.560 -6.070 0.449 606 HG21 VAL 83 HG21 VAL 83 2.397 -9.841 0.802 607 HG22 VAL 83 HG22 VAL 83 1.326 -8.863 1.806 608 HG23 VAL 83 HG23 VAL 83 2.969 -9.209 2.347 609 H VAL 84 HN VAL 84 6.074 -7.252 1.044 610 HA VAL 84 HA VAL 84 6.934 -9.967 1.802 611 HB VAL 84 HB VAL 84 8.472 -8.931 0.204 612 HG11 VAL 84 HG11 VAL 84 8.816 -6.739 0.263 613 HG12 VAL 84 HG12 VAL 84 9.767 -6.965 1.731 614 HG13 VAL 84 HG13 VAL 84 8.042 -6.614 1.842 615 HG21 VAL 84 HG21 VAL 84 10.526 -9.259 1.450 616 HG22 VAL 84 HG22 VAL 84 9.330 -10.461 1.932 617 HG23 VAL 84 HG23 VAL 84 9.658 -9.077 2.975 618 H LYS 85 HN LYS 85 5.969 -6.901 2.952 619 HA LYS 85 HA LYS 85 6.515 -7.746 5.684 620 HB2 LYS 85 HB2 LYS 85 7.252 -4.944 4.884 621 HB3 LYS 85 HB1 LYS 85 7.684 -5.817 6.347 622 HG2 LYS 85 HG2 LYS 85 8.991 -7.379 4.775 623 HG3 LYS 85 HG1 LYS 85 8.825 -6.077 3.595 624 HD2 LYS 85 HD2 LYS 85 9.743 -4.564 5.475 625 HD3 LYS 85 HD1 LYS 85 10.272 -6.073 6.221 626 HE2 LYS 85 HE2 LYS 85 11.181 -6.452 3.721 627 HE3 LYS 85 HE1 LYS 85 11.265 -4.693 3.805 628 HZ1 LYS 85 HZ1 LYS 85 12.375 -6.313 5.996 629 HZ2 LYS 85 HZ2 LYS 85 12.810 -4.759 5.489 630 HZ3 LYS 85 HZ3 LYS 85 13.269 -6.105 4.574 631 H ALA 86 HN ALA 86 5.256 -6.619 7.270 632 HA ALA 86 HA ALA 86 3.256 -4.728 6.400 633 HB1 ALA 86 HB1 ALA 86 1.478 -6.382 7.474 634 HB2 ALA 86 HB2 ALA 86 2.612 -7.585 6.859 635 HB3 ALA 86 HB3 ALA 86 1.879 -6.419 5.757 636 H LYS 87 HN LYS 87 2.590 -3.450 8.036 637 HA LYS 87 HA LYS 87 2.885 -4.332 10.797 638 HB2 LYS 87 HB2 LYS 87 4.256 -1.860 9.722 639 HB3 LYS 87 HB1 LYS 87 4.146 -2.299 11.420 640 HG2 LYS 87 HG2 LYS 87 6.192 -3.151 11.012 641 HG3 LYS 87 HG1 LYS 87 5.248 -4.541 10.475 642 HD2 LYS 87 HD2 LYS 87 5.311 -3.552 8.161 643 HD3 LYS 87 HD1 LYS 87 6.473 -2.375 8.776 644 HE2 LYS 87 HE2 LYS 87 6.827 -5.369 8.880 645 HE3 LYS 87 HE1 LYS 87 7.536 -4.314 7.658 646 HZ1 LYS 87 HZ1 LYS 87 8.494 -3.088 9.705 647 HZ2 LYS 87 HZ2 LYS 87 9.229 -4.518 9.179 648 HZ3 LYS 87 HZ3 LYS 87 8.194 -4.542 10.516 649 H GLU 88 HN GLU 88 1.812 -2.908 12.325 650 HA GLU 88 HA GLU 88 -0.349 -1.373 11.042 651 HB2 GLU 88 HB2 GLU 88 -1.710 -1.867 12.999 652 HB3 GLU 88 HB1 GLU 88 -1.103 -3.356 12.287 653 HG2 GLU 88 HG2 GLU 88 0.827 -2.921 14.084 654 HG3 GLU 88 HG1 GLU 88 -0.514 -2.121 14.901 655 H GLN 89 HN GLN 89 -0.967 0.620 11.895 656 HA GLN 89 HA GLN 89 0.608 1.759 14.065 657 HB2 GLN 89 HB2 GLN 89 1.907 2.275 12.049 658 HB3 GLN 89 HB1 GLN 89 0.487 3.003 11.311 659 HG2 GLN 89 HG2 GLN 89 1.437 4.895 12.070 660 HG3 GLN 89 HG1 GLN 89 0.587 4.453 13.550 661 HE21 GLN 89 HE21 GLN 89 1.882 2.971 15.014 662 HE22 GLN 89 HE22 GLN 89 3.548 3.372 15.231 663 H VAL 90 HN VAL 90 -0.435 3.376 15.177 664 HA VAL 90 HA VAL 90 -3.181 3.972 14.285 665 HB VAL 90 HB VAL 90 -2.188 4.002 17.135 666 HG11 VAL 90 HG11 VAL 90 -4.074 5.369 17.018 667 HG12 VAL 90 HG12 VAL 90 -4.722 3.805 17.513 668 HG13 VAL 90 HG13 VAL 90 -4.870 4.330 15.836 669 HG21 VAL 90 HG21 VAL 90 -3.673 1.837 15.649 670 HG22 VAL 90 HG22 VAL 90 -3.428 1.878 17.395 671 HG23 VAL 90 HG23 VAL 90 -2.042 1.736 16.314 672 H VAL 91 HN VAL 91 -3.437 5.987 13.612 673 HA VAL 91 HA VAL 91 -2.500 8.212 15.175 674 HB VAL 91 HB VAL 91 -1.360 9.285 13.165 675 HG11 VAL 91 HG11 VAL 91 0.761 8.467 13.790 676 HG12 VAL 91 HG12 VAL 91 0.105 6.898 14.257 677 HG13 VAL 91 HG13 VAL 91 -0.248 8.326 15.230 678 HG21 VAL 91 HG21 VAL 91 -0.251 7.511 11.679 679 HG22 VAL 91 HG22 VAL 91 -1.936 7.919 11.358 680 HG23 VAL 91 HG23 VAL 91 -1.538 6.439 12.230 681 H SER 92 HN SER 92 -4.459 9.149 15.295 682 HA SER 92 HA SER 92 -6.354 10.248 14.685 683 HB2 SER 92 HB2 SER 92 -4.783 11.681 13.449 684 HB3 SER 92 HB1 SER 92 -4.885 10.600 12.059 685 HG SER 92 HG SER 92 -6.680 12.494 12.972 686 H GLY 93 HN GLY 93 -6.064 7.344 14.180 687 HA2 GLY 93 HA2 GLY 93 -8.420 6.485 13.397 688 HA3 GLY 93 HA1 GLY 93 -7.761 6.937 11.832 689 H MET 94 HN MET 94 -6.692 5.427 10.745 690 HA MET 94 HA MET 94 -5.257 3.336 12.188 691 HB2 MET 94 HB2 MET 94 -7.490 2.822 10.223 692 HB3 MET 94 HB1 MET 94 -6.294 1.606 10.649 693 HG2 MET 94 HG2 MET 94 -7.999 2.987 12.697 694 HG3 MET 94 HG1 MET 94 -8.499 1.511 11.873 695 HE1 MET 94 HE1 MET 94 -6.043 2.784 14.953 696 HE2 MET 94 HE2 MET 94 -6.927 1.480 15.744 697 HE3 MET 94 HE3 MET 94 -7.798 2.696 14.810 698 H MET 95 HN MET 95 -3.276 3.394 11.375 699 HA MET 95 HA MET 95 -2.951 3.894 8.489 700 HB2 MET 95 HB2 MET 95 -1.939 5.413 10.499 701 HB3 MET 95 HB1 MET 95 -0.614 4.284 10.251 702 HG2 MET 95 HG2 MET 95 -0.428 4.913 7.948 703 HG3 MET 95 HG1 MET 95 -1.876 5.912 8.060 704 HE1 MET 95 HE1 MET 95 -1.905 7.932 8.028 705 HE2 MET 95 HE2 MET 95 -0.472 8.938 7.826 706 HE3 MET 95 HE3 MET 95 -1.324 8.918 9.369 707 H HIS 96 HN HIS 96 -2.081 2.321 7.305 708 HA HIS 96 HA HIS 96 -0.794 0.081 8.717 709 HB2 HIS 96 HB2 HIS 96 -2.990 -0.123 7.223 710 HB3 HIS 96 HB1 HIS 96 -1.800 -0.235 5.930 711 HD1 HIS 96 HD1 HIS 96 -1.426 -1.755 9.373 712 HD2 HIS 96 HD2 HIS 96 -1.985 -2.922 5.424 713 HE1 HIS 96 HE1 HIS 96 -1.182 -4.258 9.370 714 HE2 HIS 96 HE2 HIS 96 -1.610 -4.949 6.986 715 H TYR 97 HN TYR 97 1.245 -0.449 8.254 716 HA TYR 97 HA TYR 97 2.529 0.861 5.945 717 HB2 TYR 97 HB2 TYR 97 3.625 0.282 8.700 718 HB3 TYR 97 HB1 TYR 97 4.650 0.705 7.333 719 HD1 TYR 97 HD2 TYR 97 1.456 2.023 8.782 720 HD2 TYR 97 HD1 TYR 97 5.386 2.879 7.396 721 HE1 TYR 97 HE2 TYR 97 1.099 4.407 9.261 722 HE2 TYR 97 HE1 TYR 97 5.040 5.266 7.874 723 HH TYR 97 HH TYR 97 2.547 6.420 9.769 724 H LEU 98 HN LEU 98 2.578 -0.746 4.447 725 HA LEU 98 HA LEU 98 3.901 -3.249 5.261 726 HB2 LEU 98 HB2 LEU 98 2.489 -4.259 3.324 727 HB3 LEU 98 HB1 LEU 98 1.782 -4.051 4.913 728 HG LEU 98 HG LEU 98 0.630 -2.031 4.168 729 HD11 LEU 98 HD11 LEU 98 1.915 -0.986 2.577 730 HD12 LEU 98 HD12 LEU 98 0.672 -1.730 1.572 731 HD13 LEU 98 HD13 LEU 98 2.259 -2.484 1.713 732 HD21 LEU 98 HD21 LEU 98 0.271 -4.650 2.869 733 HD22 LEU 98 HD22 LEU 98 -0.570 -3.296 2.114 734 HD23 LEU 98 HD23 LEU 98 -0.863 -3.681 3.810 735 H THR 99 HN THR 99 5.408 -4.102 3.897 736 HA THR 99 HA THR 99 6.198 -2.384 1.646 737 HB THR 99 HB THR 99 8.018 -4.481 2.730 738 HG1 THR 99 HG1 THR 99 8.609 -3.194 4.440 739 HG21 THR 99 HG21 THR 99 9.678 -3.250 1.868 740 HG22 THR 99 HG22 THR 99 8.933 -1.722 2.337 741 HG23 THR 99 HG23 THR 99 8.388 -2.558 0.883 742 H VAL 100 HN VAL 100 6.562 -3.243 -0.380 743 HA VAL 100 HA VAL 100 6.121 -6.112 -0.748 744 HB VAL 100 HB VAL 100 4.453 -5.877 -2.393 745 HG11 VAL 100 HG11 VAL 100 2.652 -5.117 -1.172 746 HG12 VAL 100 HG12 VAL 100 3.540 -3.742 -0.516 747 HG13 VAL 100 HG13 VAL 100 3.859 -5.367 0.089 748 HG21 VAL 100 HG21 VAL 100 4.721 -4.192 -3.842 749 HG22 VAL 100 HG22 VAL 100 5.500 -3.161 -2.641 750 HG23 VAL 100 HG23 VAL 100 3.740 -3.252 -2.718 751 H GLU 101 HN GLU 101 6.793 -6.899 -2.863 752 HA GLU 101 HA GLU 101 9.133 -5.450 -3.806 753 HB2 GLU 101 HB2 GLU 101 8.134 -8.249 -4.035 754 HB3 GLU 101 HB1 GLU 101 9.215 -7.655 -5.287 755 HG2 GLU 101 HG2 GLU 101 10.946 -7.242 -3.720 756 HG3 GLU 101 HG1 GLU 101 9.860 -7.513 -2.357 757 H VAL 102 HN VAL 102 9.127 -4.225 -5.567 758 HA VAL 102 HA VAL 102 6.897 -4.535 -7.468 759 HB VAL 102 HB VAL 102 8.517 -2.026 -7.080 760 HG11 VAL 102 HG11 VAL 102 6.549 -2.839 -8.950 761 HG12 VAL 102 HG12 VAL 102 7.336 -1.270 -8.796 762 HG13 VAL 102 HG13 VAL 102 5.838 -1.593 -7.925 763 HG21 VAL 102 HG21 VAL 102 7.578 -2.055 -5.007 764 HG22 VAL 102 HG22 VAL 102 6.236 -3.085 -5.506 765 HG23 VAL 102 HG23 VAL 102 6.225 -1.367 -5.904 766 H ASN 103 HN ASN 103 7.279 -4.503 -9.649 767 HA ASN 103 HA ASN 103 10.099 -4.629 -10.486 768 HB2 ASN 103 HB2 ASN 103 8.880 -6.838 -10.514 769 HB3 ASN 103 HB1 ASN 103 7.818 -6.161 -11.745 770 HD21 ASN 103 HD21 ASN 103 10.445 -8.032 -11.288 771 HD22 ASN 103 HD22 ASN 103 11.225 -7.836 -12.816 772 H ASP 104 HN ASP 104 10.598 -3.805 -12.561 773 HA ASP 104 HA ASP 104 8.521 -2.412 -14.039 774 HB2 ASP 104 HB2 ASP 104 9.617 -0.924 -12.150 775 HB3 ASP 104 HB1 ASP 104 10.918 -0.775 -13.327 776 H ALA 105 HN ALA 105 8.865 -3.341 -15.962 777 HA ALA 105 HA ALA 105 9.878 -3.994 -17.893 778 HB1 ALA 105 HB1 ALA 105 10.523 -1.444 -17.595 779 HB2 ALA 105 HB2 ALA 105 11.172 -2.419 -18.913 780 HB3 ALA 105 HB3 ALA 105 12.146 -2.123 -17.473 781 H GLY 106 HN GLY 106 10.631 -5.317 -15.383 782 HA2 GLY 106 HA2 GLY 106 11.976 -7.320 -15.384 783 HA3 GLY 106 HA1 GLY 106 13.187 -6.450 -16.313 784 H LYS 107 HN LYS 107 12.882 -4.059 -14.556 785 HA LYS 107 HA LYS 107 14.917 -4.734 -12.687 786 HB2 LYS 107 HB2 LYS 107 13.346 -2.285 -13.342 787 HB3 LYS 107 HB1 LYS 107 14.197 -2.337 -11.804 788 HG2 LYS 107 HG2 LYS 107 16.299 -2.605 -12.884 789 HG3 LYS 107 HG1 LYS 107 15.526 -2.858 -14.450 790 HD2 LYS 107 HD2 LYS 107 16.429 -0.603 -14.292 791 HD3 LYS 107 HD1 LYS 107 14.667 -0.561 -14.388 792 HE2 LYS 107 HE2 LYS 107 14.507 -0.211 -12.003 793 HE3 LYS 107 HE1 LYS 107 16.254 -0.383 -11.830 794 HZ1 LYS 107 HZ1 LYS 107 16.622 1.635 -12.937 795 HZ2 LYS 107 HZ2 LYS 107 15.347 1.955 -11.872 796 HZ3 LYS 107 HZ3 LYS 107 15.035 1.721 -13.518 797 H LYS 108 HN LYS 108 14.520 -5.957 -10.964 798 HA LYS 108 HA LYS 108 11.947 -5.769 -9.597 799 HB2 LYS 108 HB2 LYS 108 12.769 -8.003 -10.128 800 HB3 LYS 108 HB1 LYS 108 14.257 -7.689 -9.247 801 HG2 LYS 108 HG2 LYS 108 13.222 -8.741 -7.569 802 HG3 LYS 108 HG1 LYS 108 12.404 -7.196 -7.329 803 HD2 LYS 108 HD2 LYS 108 10.638 -8.035 -8.940 804 HD3 LYS 108 HD1 LYS 108 11.399 -9.621 -8.801 805 HE2 LYS 108 HE2 LYS 108 10.843 -8.306 -6.240 806 HE3 LYS 108 HE1 LYS 108 9.408 -8.694 -7.188 807 HZ1 LYS 108 HZ1 LYS 108 11.539 -10.669 -6.599 808 HZ2 LYS 108 HZ2 LYS 108 9.998 -10.968 -7.228 809 HZ3 LYS 108 HZ3 LYS 108 10.172 -10.467 -5.622 810 H LYS 109 HN LYS 109 11.695 -5.099 -7.497 811 HA LYS 109 HA LYS 109 13.953 -4.547 -5.808 812 HB2 LYS 109 HB2 LYS 109 12.625 -2.386 -7.338 813 HB3 LYS 109 HB1 LYS 109 12.941 -2.055 -5.640 814 HG2 LYS 109 HG2 LYS 109 15.337 -2.985 -6.301 815 HG3 LYS 109 HG1 LYS 109 14.830 -2.414 -7.892 816 HD2 LYS 109 HD2 LYS 109 14.530 -0.197 -7.095 817 HD3 LYS 109 HD1 LYS 109 14.679 -0.711 -5.414 818 HE2 LYS 109 HE2 LYS 109 16.943 -0.804 -5.501 819 HE3 LYS 109 HE1 LYS 109 16.963 -1.318 -7.187 820 HZ1 LYS 109 HZ1 LYS 109 17.711 1.088 -6.438 821 HZ2 LYS 109 HZ2 LYS 109 16.061 1.402 -6.632 822 HZ3 LYS 109 HZ3 LYS 109 16.966 0.807 -7.931 823 H LEU 110 HN LEU 110 13.044 -3.085 -3.865 824 HA LEU 110 HA LEU 110 10.394 -4.131 -3.131 825 HB2 LEU 110 HB2 LEU 110 11.910 -5.506 -1.941 826 HB3 LEU 110 HB1 LEU 110 12.939 -4.149 -1.529 827 HG LEU 110 HG LEU 110 11.374 -3.340 0.087 828 HD11 LEU 110 HD11 LEU 110 9.257 -3.590 -0.793 829 HD12 LEU 110 HD12 LEU 110 9.272 -4.812 0.478 830 HD13 LEU 110 HD13 LEU 110 9.511 -5.286 -1.204 831 HD21 LEU 110 HD21 LEU 110 11.618 -4.967 1.693 832 HD22 LEU 110 HD22 LEU 110 12.817 -5.478 0.505 833 HD23 LEU 110 HD23 LEU 110 11.248 -6.280 0.575 834 H TYR 111 HN TYR 111 9.055 -2.484 -2.831 835 HA TYR 111 HA TYR 111 10.134 0.006 -1.683 836 HB2 TYR 111 HB2 TYR 111 7.714 -0.211 -3.475 837 HB3 TYR 111 HB1 TYR 111 8.531 1.257 -2.955 838 HD1 TYR 111 HD1 TYR 111 11.388 0.118 -3.422 839 HD2 TYR 111 HD2 TYR 111 7.873 0.241 -5.821 840 HE1 TYR 111 HE1 TYR 111 12.775 0.063 -5.450 841 HE2 TYR 111 HE2 TYR 111 9.253 0.184 -7.854 842 HH TYR 111 HH TYR 111 12.655 -0.443 -7.755 843 H GLU 112 HN GLU 112 9.081 0.951 0.001 844 HA GLU 112 HA GLU 112 7.076 -0.685 1.342 845 HB2 GLU 112 HB2 GLU 112 9.229 0.481 2.369 846 HB3 GLU 112 HB1 GLU 112 8.126 1.840 2.531 847 HG2 GLU 112 HG2 GLU 112 6.618 -0.159 3.552 848 HG3 GLU 112 HG1 GLU 112 8.236 -0.695 4.003 849 H ALA 113 HN ALA 113 5.050 0.055 1.955 850 HA ALA 113 HA ALA 113 4.209 2.664 0.897 851 HB1 ALA 113 HB1 ALA 113 2.253 0.464 0.651 852 HB2 ALA 113 HB2 ALA 113 3.617 0.437 -0.468 853 HB3 ALA 113 HB3 ALA 113 2.553 1.843 -0.407 854 H LYS 114 HN LYS 114 2.903 3.805 2.211 855 HA LYS 114 HA LYS 114 1.775 2.411 4.551 856 HB2 LYS 114 HB2 LYS 114 2.075 4.751 5.668 857 HB3 LYS 114 HB1 LYS 114 3.440 3.651 5.565 858 HG2 LYS 114 HG2 LYS 114 4.006 4.907 3.387 859 HG3 LYS 114 HG1 LYS 114 2.907 6.143 4.001 860 HD2 LYS 114 HD2 LYS 114 5.073 6.775 4.714 861 HD3 LYS 114 HD1 LYS 114 4.267 6.107 6.133 862 HE2 LYS 114 HE2 LYS 114 6.239 4.992 6.304 863 HE3 LYS 114 HE1 LYS 114 5.393 3.874 5.236 864 HZ1 LYS 114 HZ1 LYS 114 6.849 6.027 3.936 865 HZ2 LYS 114 HZ2 LYS 114 6.707 4.398 3.502 866 HZ3 LYS 114 HZ3 LYS 114 7.798 4.859 4.709 867 H VAL 115 HN VAL 115 -0.355 2.417 4.485 868 HA VAL 115 HA VAL 115 -1.738 4.631 3.130 869 HB VAL 115 HB VAL 115 -2.177 2.388 2.213 870 HG11 VAL 115 HG11 VAL 115 -3.834 1.511 4.463 871 HG12 VAL 115 HG12 VAL 115 -2.102 1.519 4.794 872 HG13 VAL 115 HG13 VAL 115 -2.736 0.593 3.434 873 HG21 VAL 115 HG21 VAL 115 -4.515 3.707 3.587 874 HG22 VAL 115 HG22 VAL 115 -4.658 2.491 2.318 875 HG23 VAL 115 HG23 VAL 115 -3.900 4.044 1.968 876 H TRP 116 HN TRP 116 -3.569 5.594 4.089 877 HA TRP 116 HA TRP 116 -3.827 5.135 6.989 878 HB2 TRP 116 HB2 TRP 116 -2.645 7.254 6.470 879 HB3 TRP 116 HB1 TRP 116 -4.051 7.792 5.564 880 HD1 TRP 116 HD1 TRP 116 -4.006 6.151 9.076 881 HE1 TRP 116 HE1 TRP 116 -5.169 7.761 10.714 882 HE3 TRP 116 HE3 TRP 116 -4.856 10.066 5.900 883 HZ2 TRP 116 HZ2 TRP 116 -6.297 10.350 10.664 884 HZ3 TRP 116 HZ3 TRP 116 -5.982 12.071 6.773 885 HH2 TRP 116 HH2 TRP 116 -6.689 12.208 9.107 886 H GLU 117 HN GLU 117 -5.868 5.277 7.889 887 HA GLU 117 HA GLU 117 -8.155 5.953 6.260 888 HB2 GLU 117 HB2 GLU 117 -7.753 3.630 5.594 889 HB3 GLU 117 HB1 GLU 117 -7.777 3.132 7.279 890 HG2 GLU 117 HG2 GLU 117 -10.168 4.588 6.459 891 HG3 GLU 117 HG1 GLU 117 -9.907 3.087 5.571 892 H GLN 118 HN GLN 118 -9.495 7.039 7.544 893 HA GLN 118 HA GLN 118 -9.367 6.579 10.434 894 HB2 GLN 118 HB2 GLN 118 -10.818 8.871 9.159 895 HB3 GLN 118 HB1 GLN 118 -10.073 8.774 10.745 896 HG2 GLN 118 HG2 GLN 118 -8.552 10.094 9.714 897 HG3 GLN 118 HG1 GLN 118 -7.875 8.517 9.307 898 HE21 GLN 118 HE21 GLN 118 -7.511 8.093 7.244 899 HE22 GLN 118 HE22 GLN 118 -8.138 8.984 5.903 900 H VAL 119 HN VAL 119 -11.592 7.181 11.511 901 HA VAL 119 HA VAL 119 -13.684 5.649 10.107 902 HB VAL 119 HB VAL 119 -12.808 4.435 12.054 903 HG11 VAL 119 HG11 VAL 119 -13.892 6.645 13.781 904 HG12 VAL 119 HG12 VAL 119 -12.196 6.545 13.310 905 HG13 VAL 119 HG13 VAL 119 -12.923 5.254 14.266 906 HG21 VAL 119 HG21 VAL 119 -14.842 3.645 12.621 907 HG22 VAL 119 HG22 VAL 119 -15.399 4.752 11.367 908 HG23 VAL 119 HG23 VAL 119 -15.456 5.238 13.061 909 H TRP 120 HN TRP 120 -12.974 8.379 12.212 910 HA TRP 120 HA TRP 120 -15.731 9.261 12.251 911 HB2 TRP 120 HB2 TRP 120 -14.814 11.198 13.530 912 HB3 TRP 120 HB1 TRP 120 -14.424 9.636 14.244 913 HD1 TRP 120 HD1 TRP 120 -12.786 12.550 12.355 914 HE1 TRP 120 HE1 TRP 120 -10.243 12.436 12.730 915 HE3 TRP 120 HE3 TRP 120 -12.528 8.073 14.809 916 HZ2 TRP 120 HZ2 TRP 120 -8.374 10.680 13.909 917 HZ3 TRP 120 HZ3 TRP 120 -10.324 7.247 15.526 918 HH2 TRP 120 HH2 TRP 120 -8.291 8.524 15.083 919 H MET 121 HN MET 121 -12.942 9.744 10.303 920 HA MET 121 HA MET 121 -14.020 12.203 9.140 921 HB2 MET 121 HB2 MET 121 -11.637 12.196 9.693 922 HB3 MET 121 HB1 MET 121 -11.389 10.785 8.675 923 HG2 MET 121 HG2 MET 121 -11.174 12.029 6.856 924 HG3 MET 121 HG1 MET 121 -12.655 12.918 7.204 925 HE1 MET 121 HE1 MET 121 -8.677 14.701 7.025 926 HE2 MET 121 HE2 MET 121 -9.838 14.122 5.831 927 HE3 MET 121 HE3 MET 121 -8.972 12.971 6.848 928 H ASN 122 HN ASN 122 -13.710 8.825 8.542 929 HA ASN 122 HA ASN 122 -14.434 7.477 6.872 930 HB2 ASN 122 HB2 ASN 122 -16.069 9.941 6.467 931 HB3 ASN 122 HB1 ASN 122 -16.092 8.710 5.207 932 HD21 ASN 122 HD21 ASN 122 -15.957 8.518 8.746 933 HD22 ASN 122 HD22 ASN 122 -17.364 7.531 8.916 934 H PHE 123 HN PHE 123 -11.951 8.332 6.473 935 HA PHE 123 HA PHE 123 -11.838 8.700 3.566 936 HB2 PHE 123 HB2 PHE 123 -11.238 10.769 5.215 937 HB3 PHE 123 HB1 PHE 123 -9.663 9.992 5.097 938 HD1 PHE 123 HD2 PHE 123 -9.049 9.285 2.579 939 HD2 PHE 123 HD1 PHE 123 -11.686 12.429 3.709 940 HE1 PHE 123 HE2 PHE 123 -8.672 10.377 0.406 941 HE2 PHE 123 HE1 PHE 123 -11.314 13.526 1.538 942 HZ PHE 123 HZ PHE 123 -9.805 12.501 -0.116 943 H ARG 124 HN ARG 124 -10.189 7.608 2.535 944 HA ARG 124 HA ARG 124 -8.143 6.254 4.071 945 HB2 ARG 124 HB2 ARG 124 -10.028 4.705 4.271 946 HB3 ARG 124 HB1 ARG 124 -10.216 4.689 2.523 947 HG2 ARG 124 HG2 ARG 124 -7.567 3.932 3.604 948 HG3 ARG 124 HG1 ARG 124 -8.899 2.799 3.842 949 HD2 ARG 124 HD2 ARG 124 -8.733 3.907 1.138 950 HD3 ARG 124 HD1 ARG 124 -7.331 2.948 1.609 951 HE ARG 124 HE ARG 124 -9.368 1.356 2.328 952 HH11 ARG 124 HH11 ARG 124 -8.697 3.074 -0.637 953 HH12 ARG 124 HH12 ARG 124 -9.502 1.913 -1.637 954 HH21 ARG 124 HH21 ARG 124 -10.426 -0.170 1.012 955 HH22 ARG 124 HH22 ARG 124 -10.484 0.072 -0.702 956 H GLN 125 HN GLN 125 -6.336 6.508 2.945 957 HA GLN 125 HA GLN 125 -6.188 5.828 0.164 958 HB2 GLN 125 HB2 GLN 125 -5.271 8.131 -0.469 959 HB3 GLN 125 HB1 GLN 125 -7.014 7.979 -0.294 960 HG2 GLN 125 HG2 GLN 125 -7.092 9.387 1.445 961 HG3 GLN 125 HG1 GLN 125 -5.602 8.762 2.151 962 HE21 GLN 125 HE21 GLN 125 -5.074 10.970 2.600 963 HE22 GLN 125 HE22 GLN 125 -4.402 11.970 1.362 964 H LEU 126 HN LEU 126 -3.913 6.465 -0.705 965 HA LEU 126 HA LEU 126 -2.006 5.348 1.112 966 HB2 LEU 126 HB2 LEU 126 -1.797 4.775 -1.189 967 HB3 LEU 126 HB1 LEU 126 -1.799 6.457 -1.680 968 HG LEU 126 HG LEU 126 0.409 5.748 0.122 969 HD11 LEU 126 HD11 LEU 126 0.762 3.753 -0.901 970 HD12 LEU 126 HD12 LEU 126 1.564 4.797 -2.076 971 HD13 LEU 126 HD13 LEU 126 -0.079 4.234 -2.374 972 HD21 LEU 126 HD21 LEU 126 0.582 6.945 -2.618 973 HD22 LEU 126 HD22 LEU 126 1.613 7.222 -1.214 974 HD23 LEU 126 HD23 LEU 126 -0.021 7.885 -1.252 975 H GLN 127 HN GLN 127 -0.343 6.323 2.184 976 HA GLN 127 HA GLN 127 -0.502 9.236 2.399 977 HB2 GLN 127 HB2 GLN 127 0.182 7.048 4.214 978 HB3 GLN 127 HB1 GLN 127 1.316 8.389 4.300 979 HG2 GLN 127 HG2 GLN 127 -0.634 8.447 5.900 980 HG3 GLN 127 HG1 GLN 127 -0.352 9.903 4.948 981 HE21 GLN 127 HE21 GLN 127 -1.846 6.919 3.838 982 HE22 GLN 127 HE22 GLN 127 -3.405 7.595 3.534 983 H GLU 128 HN GLU 128 2.087 6.774 2.335 984 HA GLU 128 HA GLU 128 3.590 8.448 0.486 985 HB2 GLU 128 HB2 GLU 128 5.057 7.409 2.880 986 HB3 GLU 128 HB1 GLU 128 5.493 8.719 1.794 987 HG2 GLU 128 HG2 GLU 128 3.151 8.891 3.664 988 HG3 GLU 128 HG1 GLU 128 4.785 9.353 4.137 989 H PHE 129 HN PHE 129 5.375 7.356 -0.513 990 HA PHE 129 HA PHE 129 5.388 4.436 -0.232 991 HB2 PHE 129 HB2 PHE 129 3.958 5.433 -2.215 992 HB3 PHE 129 HB1 PHE 129 5.534 5.629 -2.974 993 HD1 PHE 129 HD1 PHE 129 3.048 3.232 -1.773 994 HD2 PHE 129 HD2 PHE 129 6.830 3.717 -3.663 995 HE1 PHE 129 HE1 PHE 129 2.991 0.876 -2.483 996 HE2 PHE 129 HE2 PHE 129 6.780 1.363 -4.377 997 HZ PHE 129 HZ PHE 129 4.859 -0.061 -3.787 998 H THR 130 HN THR 130 7.407 4.009 0.394 999 HA THR 130 HA THR 130 9.615 5.600 -0.691 1000 HB THR 130 HB THR 130 10.919 4.865 1.146 1001 HG1 THR 130 HG1 THR 130 10.455 2.693 1.185 1002 HG21 THR 130 HG21 THR 130 8.329 5.939 1.667 1003 HG22 THR 130 HG22 THR 130 9.842 6.199 2.534 1004 HG23 THR 130 HG23 THR 130 8.794 4.852 2.976 1005 H TYR 131 HN TYR 131 11.483 4.614 -1.567 1006 HA TYR 131 HA TYR 131 10.976 1.936 -2.681 1007 HB2 TYR 131 HB2 TYR 131 12.612 2.634 -4.469 1008 HB3 TYR 131 HB1 TYR 131 11.098 3.533 -4.453 1009 HD1 TYR 131 HD1 TYR 131 11.055 5.859 -3.577 1010 HD2 TYR 131 HD2 TYR 131 14.698 3.719 -4.077 1011 HE1 TYR 131 HE1 TYR 131 12.306 7.971 -3.449 1012 HE2 TYR 131 HE2 TYR 131 15.959 5.825 -3.949 1013 HH TYR 131 HH TYR 131 15.499 8.185 -2.861 1014 H LEU 132 HN LEU 132 12.067 0.426 -1.611 1015 HA LEU 132 HA LEU 132 14.619 1.072 -0.363 1016 HB2 LEU 132 HB2 LEU 132 13.382 -1.641 -0.231 1017 HB3 LEU 132 HB1 LEU 132 14.346 -0.800 0.968 1018 HG LEU 132 HG LEU 132 11.449 -0.294 0.293 1019 HD11 LEU 132 HD11 LEU 132 12.569 -1.006 2.973 1020 HD12 LEU 132 HD12 LEU 132 12.224 -2.260 1.781 1021 HD13 LEU 132 HD13 LEU 132 10.930 -1.208 2.355 1022 HD21 LEU 132 HD21 LEU 132 13.367 1.246 2.022 1023 HD22 LEU 132 HD22 LEU 132 11.619 1.322 2.242 1024 HD23 LEU 132 HD23 LEU 132 12.340 1.845 0.720 1025 H GLY 133 HN GLY 133 15.937 -1.313 -0.387 1026 HA2 GLY 133 HA2 GLY 133 16.670 -1.539 -3.231 1027 HA3 GLY 133 HA1 GLY 133 17.739 -1.873 -1.877 1028 H ASP 134 HN ASP 134 14.990 -3.052 -3.713 1029 HA ASP 134 HA ASP 134 14.031 -5.106 -3.925 1030 HB2 ASP 134 HB2 ASP 134 15.550 -6.886 -4.467 1031 HB3 ASP 134 HB1 ASP 134 16.233 -5.382 -5.075 1032 H ALA 135 HN ALA 135 14.206 -7.530 -2.979 1033 HA ALA 135 HA ALA 135 14.282 -7.280 -0.043 1034 HB1 ALA 135 HB1 ALA 135 11.960 -7.274 -1.007 1035 HB2 ALA 135 HB2 ALA 135 12.283 -8.543 0.173 1036 HB3 ALA 135 HB3 ALA 135 12.260 -8.925 -1.548 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 12.924 3.344 18.511 2 H2 MET 1 HT2 MET 1 11.253 3.044 18.758 3 H3 MET 1 HT3 MET 1 11.757 4.419 17.863 4 HA MET 1 HA MET 1 12.336 1.654 17.061 5 HB2 MET 1 HB2 MET 1 9.830 2.652 17.278 6 HB3 MET 1 HB1 MET 1 10.251 3.235 15.674 7 HG2 MET 1 HG2 MET 1 9.466 1.254 15.006 8 HG3 MET 1 HG1 MET 1 11.055 0.665 15.491 9 HE1 MET 1 HE1 MET 1 10.078 -2.229 17.331 10 HE2 MET 1 HE2 MET 1 11.282 -1.081 17.916 11 HE3 MET 1 HE3 MET 1 11.100 -1.363 16.184 12 H ALA 2 HN ALA 2 11.937 2.079 14.386 13 HA ALA 2 HA ALA 2 14.345 3.240 13.566 14 HB1 ALA 2 HB1 ALA 2 13.642 1.787 11.979 15 HB2 ALA 2 HB2 ALA 2 12.970 3.255 11.269 16 HB3 ALA 2 HB3 ALA 2 11.939 2.181 12.215 17 H ASP 3 HN ASP 3 11.148 4.595 13.947 18 HA ASP 3 HA ASP 3 10.351 6.720 13.821 19 HB2 ASP 3 HB2 ASP 3 13.296 7.380 14.011 20 HB3 ASP 3 HB1 ASP 3 12.006 8.573 14.125 21 H GLU 4 HN GLU 4 9.639 6.205 11.652 22 HA GLU 4 HA GLU 4 11.254 7.400 9.514 23 HB2 GLU 4 HB2 GLU 4 8.997 5.413 9.520 24 HB3 GLU 4 HB1 GLU 4 9.460 6.259 8.050 25 HG2 GLU 4 HG2 GLU 4 11.707 5.349 8.213 26 HG3 GLU 4 HG1 GLU 4 11.278 4.532 9.715 27 H GLN 5 HN GLN 5 7.742 7.063 9.912 28 HA GLN 5 HA GLN 5 7.391 9.939 9.952 29 HB2 GLN 5 HB2 GLN 5 6.361 8.243 7.672 30 HB3 GLN 5 HB1 GLN 5 5.847 9.894 7.989 31 HG2 GLN 5 HG2 GLN 5 8.644 9.008 7.318 32 HG3 GLN 5 HG1 GLN 5 7.516 9.814 6.230 33 HE21 GLN 5 HE21 GLN 5 10.195 10.578 7.254 34 HE22 GLN 5 HE22 GLN 5 9.985 12.150 7.940 35 HA PRO 6 HA PRO 6 4.147 7.227 12.076 36 HB2 PRO 6 HB2 PRO 6 4.774 7.809 14.643 37 HB3 PRO 6 HB1 PRO 6 5.528 6.477 13.759 38 HG2 PRO 6 HG2 PRO 6 6.576 9.231 14.291 39 HG3 PRO 6 HG1 PRO 6 7.421 7.675 14.387 40 HD2 PRO 6 HD2 PRO 6 7.651 9.345 12.260 41 HD3 PRO 6 HD1 PRO 6 7.767 7.580 12.114 42 H LYS 7 HN LYS 7 5.355 10.482 12.580 43 HA LYS 7 HA LYS 7 2.586 11.383 13.001 44 HB2 LYS 7 HB2 LYS 7 5.059 12.219 14.507 45 HB3 LYS 7 HB1 LYS 7 3.609 13.213 14.465 46 HG2 LYS 7 HG2 LYS 7 3.107 12.081 16.337 47 HG3 LYS 7 HG1 LYS 7 2.536 10.860 15.198 48 HD2 LYS 7 HD2 LYS 7 4.943 9.954 15.288 49 HD3 LYS 7 HD1 LYS 7 5.108 10.942 16.741 50 HE2 LYS 7 HE2 LYS 7 2.891 8.943 16.363 51 HE3 LYS 7 HE1 LYS 7 4.440 8.525 17.095 52 HZ1 LYS 7 HZ1 LYS 7 2.255 10.130 18.160 53 HZ2 LYS 7 HZ2 LYS 7 3.820 10.647 18.537 54 HZ3 LYS 7 HZ3 LYS 7 3.321 9.086 18.958 55 H LYS 8 HN LYS 8 2.096 12.388 11.156 56 HA LYS 8 HA LYS 8 3.262 14.833 10.441 57 HB2 LYS 8 HB2 LYS 8 4.162 14.066 8.170 58 HB3 LYS 8 HB1 LYS 8 5.159 13.744 9.582 59 HG2 LYS 8 HG2 LYS 8 5.273 11.763 8.400 60 HG3 LYS 8 HG1 LYS 8 4.010 11.436 9.589 61 HD2 LYS 8 HD2 LYS 8 2.378 11.337 8.024 62 HD3 LYS 8 HD1 LYS 8 3.112 12.596 7.028 63 HE2 LYS 8 HE2 LYS 8 3.329 10.680 5.725 64 HE3 LYS 8 HE1 LYS 8 4.907 10.833 6.496 65 HZ1 LYS 8 HZ1 LYS 8 3.700 9.309 8.273 66 HZ2 LYS 8 HZ2 LYS 8 4.509 8.665 6.934 67 HZ3 LYS 8 HZ3 LYS 8 2.826 8.833 6.904 68 HA PRO 9 HA PRO 9 -0.536 15.191 8.243 69 HB2 PRO 9 HB2 PRO 9 0.145 16.821 6.160 70 HB3 PRO 9 HB1 PRO 9 -0.071 17.394 7.817 71 HG2 PRO 9 HG2 PRO 9 2.455 16.728 6.357 72 HG3 PRO 9 HG1 PRO 9 2.110 18.096 7.432 73 HD2 PRO 9 HD2 PRO 9 3.491 15.937 8.265 74 HD3 PRO 9 HD1 PRO 9 2.399 16.830 9.344 75 H VAL 10 HN VAL 10 -1.431 15.125 5.880 76 HA VAL 10 HA VAL 10 0.024 13.102 4.319 77 HB VAL 10 HB VAL 10 -1.905 11.768 3.979 78 HG11 VAL 10 HG11 VAL 10 -2.355 12.303 6.853 79 HG12 VAL 10 HG12 VAL 10 -0.709 11.906 6.359 80 HG13 VAL 10 HG13 VAL 10 -2.028 10.785 6.017 81 HG21 VAL 10 HG21 VAL 10 -3.394 14.070 5.182 82 HG22 VAL 10 HG22 VAL 10 -4.082 12.446 5.200 83 HG23 VAL 10 HG23 VAL 10 -3.687 13.220 3.665 84 HA PRO 11 HA PRO 11 -1.000 15.603 0.831 85 HB2 PRO 11 HB2 PRO 11 -1.030 13.793 -1.165 86 HB3 PRO 11 HB1 PRO 11 0.461 14.244 -0.331 87 HG2 PRO 11 HG2 PRO 11 -1.276 11.838 0.062 88 HG3 PRO 11 HG1 PRO 11 0.493 11.943 -0.001 89 HD2 PRO 11 HD2 PRO 11 -0.921 11.793 2.329 90 HD3 PRO 11 HD1 PRO 11 0.655 12.595 2.194 91 H ALA 12 HN ALA 12 -2.448 15.177 -1.375 92 HA ALA 12 HA ALA 12 -5.104 14.271 -0.514 93 HB1 ALA 12 HB1 ALA 12 -5.060 16.677 -0.169 94 HB2 ALA 12 HB2 ALA 12 -6.138 16.264 -1.503 95 HB3 ALA 12 HB3 ALA 12 -4.536 16.922 -1.835 96 H ALA 13 HN ALA 13 -5.850 12.835 -1.917 97 HA ALA 13 HA ALA 13 -5.983 13.265 -4.699 98 HB1 ALA 13 HB1 ALA 13 -4.076 11.042 -4.089 99 HB2 ALA 13 HB2 ALA 13 -3.492 12.697 -4.265 100 HB3 ALA 13 HB3 ALA 13 -4.334 11.913 -5.601 101 H GLU 14 HN GLU 14 -6.994 11.488 -5.842 102 HA GLU 14 HA GLU 14 -7.732 9.061 -4.653 103 HB2 GLU 14 HB2 GLU 14 -10.104 9.491 -4.161 104 HB3 GLU 14 HB1 GLU 14 -9.042 10.430 -3.120 105 HG2 GLU 14 HG2 GLU 14 -9.462 12.155 -5.186 106 HG3 GLU 14 HG1 GLU 14 -11.007 11.311 -5.093 107 H GLU 15 HN GLU 15 -6.993 8.720 -6.881 108 HA GLU 15 HA GLU 15 -9.249 8.448 -8.654 109 HB2 GLU 15 HB2 GLU 15 -7.125 10.479 -9.113 110 HB3 GLU 15 HB1 GLU 15 -7.670 9.555 -10.506 111 HG2 GLU 15 HG2 GLU 15 -9.363 11.262 -8.699 112 HG3 GLU 15 HG1 GLU 15 -8.905 11.607 -10.366 113 H ALA 16 HN ALA 16 -8.348 7.553 -10.876 114 HA ALA 16 HA ALA 16 -6.126 5.708 -10.316 115 HB1 ALA 16 HB1 ALA 16 -7.350 3.866 -10.654 116 HB2 ALA 16 HB2 ALA 16 -8.212 4.577 -12.019 117 HB3 ALA 16 HB3 ALA 16 -8.744 4.908 -10.370 118 HA PRO 17 HA PRO 17 -4.646 6.644 -14.362 119 HB2 PRO 17 HB2 PRO 17 -3.782 4.286 -15.343 120 HB3 PRO 17 HB1 PRO 17 -2.985 5.090 -13.985 121 HG2 PRO 17 HG2 PRO 17 -4.937 2.822 -13.963 122 HG3 PRO 17 HG1 PRO 17 -3.455 3.032 -13.014 123 HD2 PRO 17 HD2 PRO 17 -5.951 3.537 -12.034 124 HD3 PRO 17 HD1 PRO 17 -4.492 4.369 -11.463 125 H ALA 18 HN ALA 18 -4.770 6.039 -16.744 126 HA ALA 18 HA ALA 18 -7.547 5.308 -17.374 127 HB1 ALA 18 HB1 ALA 18 -5.557 6.938 -18.948 128 HB2 ALA 18 HB2 ALA 18 -6.956 7.546 -18.063 129 HB3 ALA 18 HB3 ALA 18 -7.186 6.533 -19.488 130 H ALA 19 HN ALA 19 -7.791 3.286 -18.049 131 HA ALA 19 HA ALA 19 -7.478 1.309 -19.130 132 HB1 ALA 19 HB1 ALA 19 -5.641 2.799 -20.991 133 HB2 ALA 19 HB2 ALA 19 -7.399 2.908 -21.079 134 HB3 ALA 19 HB3 ALA 19 -6.598 1.357 -21.330 135 H GLU 20 HN GLU 20 -5.380 0.075 -20.328 136 HA GLU 20 HA GLU 20 -3.494 -1.118 -19.891 137 HB2 GLU 20 HB2 GLU 20 -2.601 1.311 -19.982 138 HB3 GLU 20 HB1 GLU 20 -2.485 1.177 -18.233 139 HG2 GLU 20 HG2 GLU 20 -1.244 -1.103 -19.021 140 HG3 GLU 20 HG1 GLU 20 -0.822 -0.004 -20.332 141 H ALA 21 HN ALA 21 -4.541 -2.662 -18.611 142 HA ALA 21 HA ALA 21 -3.557 -2.887 -15.951 143 HB1 ALA 21 HB1 ALA 21 -5.547 -1.270 -15.780 144 HB2 ALA 21 HB2 ALA 21 -5.484 -2.634 -14.663 145 HB3 ALA 21 HB3 ALA 21 -6.547 -2.694 -16.070 146 H GLU 22 HN GLU 22 -3.564 -4.417 -18.385 147 HA GLU 22 HA GLU 22 -5.188 -6.751 -17.637 148 HB2 GLU 22 HB2 GLU 22 -4.748 -7.544 -19.947 149 HB3 GLU 22 HB1 GLU 22 -5.596 -6.005 -19.898 150 HG2 GLU 22 HG2 GLU 22 -3.496 -4.836 -20.344 151 HG3 GLU 22 HG1 GLU 22 -2.654 -6.384 -20.405 152 H ALA 23 HN ALA 23 -4.245 -8.824 -17.564 153 HA ALA 23 HA ALA 23 -2.653 -10.348 -16.998 154 HB1 ALA 23 HB1 ALA 23 -1.178 -8.560 -18.878 155 HB2 ALA 23 HB2 ALA 23 -1.651 -10.248 -19.068 156 HB3 ALA 23 HB3 ALA 23 -0.304 -9.824 -18.012 157 H GLU 24 HN GLU 24 -2.188 -10.427 -14.902 158 HA GLU 24 HA GLU 24 -0.783 -8.197 -13.639 159 HB2 GLU 24 HB2 GLU 24 -2.456 -10.464 -12.653 160 HB3 GLU 24 HB1 GLU 24 -1.277 -9.755 -11.559 161 HG2 GLU 24 HG2 GLU 24 -3.176 -7.983 -13.022 162 HG3 GLU 24 HG1 GLU 24 -3.728 -8.882 -11.609 163 H GLU 25 HN GLU 25 1.046 -8.561 -12.261 164 HA GLU 25 HA GLU 25 2.696 -10.813 -13.182 165 HB2 GLU 25 HB2 GLU 25 3.346 -8.262 -13.396 166 HB3 GLU 25 HB1 GLU 25 3.846 -8.473 -11.724 167 HG2 GLU 25 HG2 GLU 25 5.472 -10.056 -12.290 168 HG3 GLU 25 HG1 GLU 25 4.784 -10.315 -13.893 169 H GLU 26 HN GLU 26 3.148 -12.397 -11.809 170 HA GLU 26 HA GLU 26 3.363 -13.610 -9.897 171 HB2 GLU 26 HB2 GLU 26 5.113 -11.908 -9.437 172 HB3 GLU 26 HB1 GLU 26 3.909 -10.931 -8.607 173 HG2 GLU 26 HG2 GLU 26 4.800 -11.973 -6.813 174 HG3 GLU 26 HG1 GLU 26 3.585 -13.177 -7.237 175 H GLU 27 HN GLU 27 1.529 -14.511 -9.229 176 HA GLU 27 HA GLU 27 -0.463 -14.838 -8.182 177 HB2 GLU 27 HB2 GLU 27 0.693 -12.565 -6.601 178 HB3 GLU 27 HB1 GLU 27 -0.933 -13.141 -6.260 179 HG2 GLU 27 HG2 GLU 27 1.165 -15.204 -6.425 180 HG3 GLU 27 HG1 GLU 27 1.269 -14.089 -5.063 181 H GLY 28 HN GLY 28 -1.580 -14.342 -10.146 182 HA2 GLY 28 HA2 GLY 28 -2.638 -11.632 -10.418 183 HA3 GLY 28 HA1 GLY 28 -2.796 -12.931 -11.591 184 H LEU 29 HN LEU 29 -3.938 -11.797 -8.442 185 HA LEU 29 HA LEU 29 -6.031 -13.651 -8.143 186 HB2 LEU 29 HB2 LEU 29 -5.384 -10.984 -6.984 187 HB3 LEU 29 HB1 LEU 29 -7.004 -11.614 -6.753 188 HG LEU 29 HG LEU 29 -5.611 -12.142 -4.838 189 HD11 LEU 29 HD11 LEU 29 -5.780 -14.807 -6.084 190 HD12 LEU 29 HD12 LEU 29 -7.264 -13.854 -6.085 191 HD13 LEU 29 HD13 LEU 29 -6.449 -14.216 -4.563 192 HD21 LEU 29 HD21 LEU 29 -3.862 -13.651 -6.776 193 HD22 LEU 29 HD22 LEU 29 -3.667 -13.582 -5.025 194 HD23 LEU 29 HD23 LEU 29 -3.445 -12.126 -5.995 195 H HIS 30 HN HIS 30 -7.961 -13.822 -9.083 196 HA HIS 30 HA HIS 30 -8.723 -11.873 -11.090 197 HB2 HIS 30 HB2 HIS 30 -8.880 -14.527 -11.147 198 HB3 HIS 30 HB1 HIS 30 -10.455 -14.209 -10.426 199 HD1 HIS 30 HD1 HIS 30 -11.743 -14.975 -12.507 200 HD2 HIS 30 HD2 HIS 30 -9.102 -11.850 -13.231 201 HE1 HIS 30 HE1 HIS 30 -12.321 -14.124 -14.802 202 HE2 HIS 30 HE2 HIS 30 -10.768 -12.177 -15.182 203 H LEU 31 HN LEU 31 -9.228 -10.112 -9.685 204 HA LEU 31 HA LEU 31 -11.893 -10.373 -8.469 205 HB2 LEU 31 HB2 LEU 31 -10.121 -10.332 -6.728 206 HB3 LEU 31 HB1 LEU 31 -9.607 -8.766 -7.328 207 HG LEU 31 HG LEU 31 -12.454 -9.045 -6.524 208 HD11 LEU 31 HD11 LEU 31 -12.109 -9.048 -4.254 209 HD12 LEU 31 HD12 LEU 31 -10.444 -8.483 -4.396 210 HD13 LEU 31 HD13 LEU 31 -10.845 -10.155 -4.788 211 HD21 LEU 31 HD21 LEU 31 -10.740 -6.811 -5.651 212 HD22 LEU 31 HD22 LEU 31 -12.365 -6.799 -6.336 213 HD23 LEU 31 HD23 LEU 31 -10.964 -6.981 -7.392 214 H GLU 32 HN GLU 32 -13.317 -8.907 -9.152 215 HA GLU 32 HA GLU 32 -12.330 -6.381 -10.276 216 HB2 GLU 32 HB2 GLU 32 -14.505 -8.037 -11.560 217 HB3 GLU 32 HB1 GLU 32 -13.807 -6.545 -12.173 218 HG2 GLU 32 HG2 GLU 32 -11.611 -7.764 -12.317 219 HG3 GLU 32 HG1 GLU 32 -12.506 -9.244 -11.977 220 H ASP 33 HN ASP 33 -13.014 -5.291 -8.425 221 HA ASP 33 HA ASP 33 -15.932 -5.012 -8.199 222 HB2 ASP 33 HB2 ASP 33 -14.551 -6.316 -6.302 223 HB3 ASP 33 HB1 ASP 33 -14.322 -4.668 -5.726 224 H ASP 34 HN ASP 34 -14.111 -3.399 -9.689 225 HA ASP 34 HA ASP 34 -13.645 -1.210 -10.094 226 HB2 ASP 34 HB2 ASP 34 -16.134 -1.197 -9.054 227 HB3 ASP 34 HB1 ASP 34 -15.308 -0.210 -7.852 228 H GLN 35 HN GLN 35 -11.658 -0.562 -9.616 229 HA GLN 35 HA GLN 35 -9.837 0.176 -8.472 230 HB2 GLN 35 HB2 GLN 35 -11.949 0.956 -6.456 231 HB3 GLN 35 HB1 GLN 35 -10.262 1.441 -6.358 232 HG2 GLN 35 HG2 GLN 35 -11.500 3.246 -7.285 233 HG3 GLN 35 HG1 GLN 35 -10.512 2.547 -8.567 234 HE21 GLN 35 HE21 GLN 35 -11.487 1.535 -10.280 235 HE22 GLN 35 HE22 GLN 35 -13.190 1.593 -10.567 236 H GLU 36 HN GLU 36 -8.848 0.062 -6.049 237 HA GLU 36 HA GLU 36 -9.187 -2.745 -5.219 238 HB2 GLU 36 HB2 GLU 36 -6.745 -0.987 -5.328 239 HB3 GLU 36 HB1 GLU 36 -6.789 -2.447 -4.349 240 HG2 GLU 36 HG2 GLU 36 -7.103 -2.251 -7.334 241 HG3 GLU 36 HG1 GLU 36 -5.747 -2.941 -6.443 242 HA PRO 37 HA PRO 37 -10.829 -0.299 -1.658 243 HB2 PRO 37 HB2 PRO 37 -11.606 -3.102 -1.001 244 HB3 PRO 37 HB1 PRO 37 -12.557 -1.616 -0.894 245 HG2 PRO 37 HG2 PRO 37 -12.967 -3.346 -2.874 246 HG3 PRO 37 HG1 PRO 37 -13.029 -1.597 -3.166 247 HD2 PRO 37 HD2 PRO 37 -10.892 -3.562 -3.855 248 HD3 PRO 37 HD1 PRO 37 -11.437 -2.127 -4.745 249 H ARG 38 HN ARG 38 -10.726 -1.070 0.786 250 HA ARG 38 HA ARG 38 -8.154 -2.399 1.281 251 HB2 ARG 38 HB2 ARG 38 -7.748 -0.667 3.089 252 HB3 ARG 38 HB1 ARG 38 -7.568 -0.110 1.431 253 HG2 ARG 38 HG2 ARG 38 -8.781 1.611 2.284 254 HG3 ARG 38 HG1 ARG 38 -10.098 0.565 1.750 255 HD2 ARG 38 HD2 ARG 38 -9.677 -0.399 4.239 256 HD3 ARG 38 HD1 ARG 38 -9.231 1.291 4.471 257 HE ARG 38 HE ARG 38 -11.596 1.453 3.173 258 HH11 ARG 38 HH11 ARG 38 -10.560 -0.261 6.031 259 HH12 ARG 38 HH12 ARG 38 -12.118 -0.197 6.786 260 HH21 ARG 38 HH21 ARG 38 -13.645 1.538 4.164 261 HH22 ARG 38 HH22 ARG 38 -13.869 0.823 5.726 262 H GLU 39 HN GLU 39 -7.904 -2.707 3.777 263 HA GLU 39 HA GLU 39 -10.451 -3.817 4.742 264 HB2 GLU 39 HB2 GLU 39 -9.121 -5.364 6.074 265 HB3 GLU 39 HB1 GLU 39 -8.655 -5.458 4.381 266 HG2 GLU 39 HG2 GLU 39 -6.914 -3.593 5.322 267 HG3 GLU 39 HG1 GLU 39 -7.105 -4.645 6.723 268 H HIS 40 HN HIS 40 -10.075 -4.151 7.350 269 HA HIS 40 HA HIS 40 -9.712 -1.408 8.349 270 HB2 HIS 40 HB2 HIS 40 -11.142 -2.218 10.278 271 HB3 HIS 40 HB1 HIS 40 -11.954 -2.112 8.720 272 HD1 HIS 40 HD1 HIS 40 -11.055 -4.478 11.396 273 HD2 HIS 40 HD2 HIS 40 -12.474 -4.656 7.495 274 HE1 HIS 40 HE1 HIS 40 -11.918 -6.821 11.101 275 HE2 HIS 40 HE2 HIS 40 -12.692 -6.931 8.706 276 HA PRO 41 HA PRO 41 -6.158 -3.662 10.208 277 HB2 PRO 41 HB2 PRO 41 -4.535 -1.489 10.319 278 HB3 PRO 41 HB1 PRO 41 -4.708 -2.484 8.868 279 HG2 PRO 41 HG2 PRO 41 -6.008 0.128 9.540 280 HG3 PRO 41 HG1 PRO 41 -5.290 -0.403 8.008 281 HD2 PRO 41 HD2 PRO 41 -7.960 -0.427 8.449 282 HD3 PRO 41 HD1 PRO 41 -7.154 -1.621 7.411 283 H ILE 42 HN ILE 42 -5.679 -3.817 12.338 284 HA ILE 42 HA ILE 42 -7.136 -2.118 14.173 285 HB ILE 42 HB ILE 42 -7.063 -4.551 14.534 286 HG12 ILE 42 HG12 ILE 42 -5.609 -3.099 16.752 287 HG13 ILE 42 HG11 ILE 42 -7.328 -2.904 16.425 288 HG21 ILE 42 HG21 ILE 42 -4.472 -4.434 13.807 289 HG22 ILE 42 HG22 ILE 42 -5.183 -5.778 14.700 290 HG23 ILE 42 HG23 ILE 42 -4.305 -4.513 15.561 291 HD11 ILE 42 HD11 ILE 42 -7.726 -4.633 17.738 292 HD12 ILE 42 HD12 ILE 42 -5.997 -4.912 17.947 293 HD13 ILE 42 HD13 ILE 42 -6.856 -5.667 16.605 294 H MET 43 HN MET 43 -6.115 -1.137 16.051 295 HA MET 43 HA MET 43 -4.002 0.563 15.388 296 HB2 MET 43 HB2 MET 43 -3.937 1.101 17.816 297 HB3 MET 43 HB1 MET 43 -5.556 1.157 17.132 298 HG2 MET 43 HG2 MET 43 -5.474 -1.398 17.996 299 HG3 MET 43 HG1 MET 43 -4.421 -0.620 19.176 300 HE1 MET 43 HE1 MET 43 -8.638 -1.181 19.367 301 HE2 MET 43 HE2 MET 43 -7.483 -1.708 20.592 302 HE3 MET 43 HE3 MET 43 -7.220 -2.117 18.896 303 H GLY 44 HN GLY 44 -2.086 0.683 17.184 304 HA2 GLY 44 HA2 GLY 44 -0.796 -1.366 18.316 305 HA3 GLY 44 HA1 GLY 44 -0.503 -1.688 16.614 306 H GLY 45 HN GLY 45 1.705 -1.364 16.702 307 HA2 GLY 45 HA2 GLY 45 2.502 1.455 17.030 308 HA3 GLY 45 HA1 GLY 45 3.434 0.180 17.801 309 H ILE 46 HN ILE 46 5.274 0.903 16.613 310 HA ILE 46 HA ILE 46 5.196 0.466 13.719 311 HB ILE 46 HB ILE 46 7.512 1.524 15.334 312 HG12 ILE 46 HG12 ILE 46 5.541 2.956 15.675 313 HG13 ILE 46 HG11 ILE 46 6.764 3.773 14.707 314 HG21 ILE 46 HG21 ILE 46 8.429 1.018 13.313 315 HG22 ILE 46 HG22 ILE 46 7.815 2.630 12.946 316 HG23 ILE 46 HG23 ILE 46 6.904 1.205 12.448 317 HD11 ILE 46 HD11 ILE 46 5.263 2.663 12.764 318 HD12 ILE 46 HD12 ILE 46 5.012 4.285 13.410 319 HD13 ILE 46 HD13 ILE 46 4.041 2.938 14.006 320 H TYR 47 HN TYR 47 5.015 -1.806 15.436 321 HA TYR 47 HA TYR 47 7.079 -3.412 14.302 322 HB2 TYR 47 HB2 TYR 47 7.941 -2.196 16.547 323 HB3 TYR 47 HB1 TYR 47 7.178 -3.614 17.258 324 HD1 TYR 47 HD2 TYR 47 9.529 -2.739 14.485 325 HD2 TYR 47 HD1 TYR 47 8.468 -5.509 17.535 326 HE1 TYR 47 HE2 TYR 47 11.533 -4.066 13.968 327 HE2 TYR 47 HE1 TYR 47 10.469 -6.844 17.027 328 HH TYR 47 HH TYR 47 12.363 -6.326 14.228 329 H ASP 48 HN ASP 48 5.797 -5.008 13.636 330 HA ASP 48 HA ASP 48 4.519 -6.719 15.529 331 HB2 ASP 48 HB2 ASP 48 2.865 -4.810 15.222 332 HB3 ASP 48 HB1 ASP 48 2.670 -5.371 13.564 333 H ALA 49 HN ALA 49 3.946 -5.870 12.129 334 HA ALA 49 HA ALA 49 4.055 -7.087 10.209 335 HB1 ALA 49 HB1 ALA 49 6.293 -8.265 11.812 336 HB2 ALA 49 HB2 ALA 49 6.367 -7.203 10.406 337 HB3 ALA 49 HB3 ALA 49 5.898 -8.892 10.211 338 HA PRO 50 HA PRO 50 1.701 -10.628 12.250 339 HB2 PRO 50 HB2 PRO 50 -0.820 -9.721 12.025 340 HB3 PRO 50 HB1 PRO 50 0.206 -9.297 13.401 341 HG2 PRO 50 HG2 PRO 50 -0.449 -7.696 10.961 342 HG3 PRO 50 HG1 PRO 50 -0.340 -7.170 12.650 343 HD2 PRO 50 HD2 PRO 50 1.654 -6.804 10.805 344 HD3 PRO 50 HD1 PRO 50 1.934 -6.925 12.553 345 H LEU 51 HN LEU 51 0.589 -8.613 9.554 346 HA LEU 51 HA LEU 51 -0.272 -9.125 7.504 347 HB2 LEU 51 HB2 LEU 51 2.233 -10.127 7.682 348 HB3 LEU 51 HB1 LEU 51 1.345 -11.587 7.289 349 HG LEU 51 HG LEU 51 2.162 -10.644 5.250 350 HD11 LEU 51 HD11 LEU 51 -0.164 -11.568 5.303 351 HD12 LEU 51 HD12 LEU 51 0.152 -10.428 3.996 352 HD13 LEU 51 HD13 LEU 51 -0.752 -9.909 5.419 353 HD21 LEU 51 HD21 LEU 51 0.903 -8.089 6.223 354 HD22 LEU 51 HD22 LEU 51 1.414 -8.345 4.555 355 HD23 LEU 51 HD23 LEU 51 2.601 -8.392 5.858 356 H ASN 52 HN ASN 52 -1.915 -10.037 9.505 357 HA ASN 52 HA ASN 52 -2.603 -12.737 9.460 358 HB2 ASN 52 HB2 ASN 52 -4.300 -10.286 9.947 359 HB3 ASN 52 HB1 ASN 52 -4.879 -11.930 10.195 360 HD21 ASN 52 HD21 ASN 52 -4.986 -10.328 12.295 361 HD22 ASN 52 HD22 ASN 52 -3.754 -10.703 13.446 362 H ASN 53 HN ASN 53 -3.339 -10.166 7.218 363 HA ASN 53 HA ASN 53 -5.188 -11.879 5.737 364 HB2 ASN 53 HB2 ASN 53 -5.497 -9.802 4.323 365 HB3 ASN 53 HB1 ASN 53 -5.999 -9.652 6.004 366 HD21 ASN 53 HD21 ASN 53 -4.746 -8.422 7.427 367 HD22 ASN 53 HD22 ASN 53 -3.611 -7.252 6.855 368 H GLU 54 HN GLU 54 -3.231 -13.286 5.318 369 HA GLU 54 HA GLU 54 -1.631 -12.270 3.072 370 HB2 GLU 54 HB2 GLU 54 -0.749 -13.477 5.318 371 HB3 GLU 54 HB1 GLU 54 -0.965 -14.886 4.288 372 HG2 GLU 54 HG2 GLU 54 0.639 -14.188 2.774 373 HG3 GLU 54 HG1 GLU 54 0.541 -12.506 3.293 374 H ASN 55 HN ASN 55 -4.469 -13.489 3.157 375 HA ASN 55 HA ASN 55 -4.374 -15.979 1.837 376 HB2 ASN 55 HB2 ASN 55 -6.567 -13.914 1.596 377 HB3 ASN 55 HB1 ASN 55 -6.711 -15.657 1.387 378 HD21 ASN 55 HD21 ASN 55 -7.034 -13.101 3.511 379 HD22 ASN 55 HD22 ASN 55 -7.180 -13.997 4.981 380 H GLY 56 HN GLY 56 -4.155 -12.682 0.702 381 HA2 GLY 56 HA2 GLY 56 -2.843 -12.522 -1.427 382 HA3 GLY 56 HA1 GLY 56 -3.980 -13.699 -2.068 383 H PHE 57 HN PHE 57 -6.376 -12.715 -1.111 384 HA PHE 57 HA PHE 57 -7.008 -10.757 -3.008 385 HB2 PHE 57 HB2 PHE 57 -8.437 -11.801 -0.577 386 HB3 PHE 57 HB1 PHE 57 -9.124 -10.496 -1.538 387 HD1 PHE 57 HD1 PHE 57 -9.147 -10.998 -4.150 388 HD2 PHE 57 HD2 PHE 57 -9.067 -13.944 -1.080 389 HE1 PHE 57 HE1 PHE 57 -10.094 -12.647 -5.712 390 HE2 PHE 57 HE2 PHE 57 -10.013 -15.598 -2.636 391 HZ PHE 57 HZ PHE 57 -10.528 -14.950 -4.956 392 H ASP 58 HN ASP 58 -6.593 -10.460 0.514 393 HA ASP 58 HA ASP 58 -6.916 -7.620 0.498 394 HB2 ASP 58 HB2 ASP 58 -6.304 -9.707 2.505 395 HB3 ASP 58 HB1 ASP 58 -5.683 -8.098 2.863 396 H LYS 59 HN LYS 59 -4.182 -9.827 0.424 397 HA LYS 59 HA LYS 59 -2.135 -7.967 0.917 398 HB2 LYS 59 HB2 LYS 59 -2.186 -10.634 0.617 399 HB3 LYS 59 HB1 LYS 59 -1.611 -10.191 -0.983 400 HG2 LYS 59 HG2 LYS 59 0.330 -9.187 -0.121 401 HG3 LYS 59 HG1 LYS 59 -0.311 -9.178 1.523 402 HD2 LYS 59 HD2 LYS 59 0.948 -11.033 1.757 403 HD3 LYS 59 HD1 LYS 59 -0.414 -11.822 0.960 404 HE2 LYS 59 HE2 LYS 59 0.773 -11.293 -1.230 405 HE3 LYS 59 HE1 LYS 59 2.184 -10.911 -0.246 406 HZ1 LYS 59 HZ1 LYS 59 2.111 -13.155 0.657 407 HZ2 LYS 59 HZ2 LYS 59 2.254 -13.190 -1.028 408 HZ3 LYS 59 HZ3 LYS 59 0.764 -13.520 -0.300 409 H GLU 60 HN GLU 60 -3.493 -9.160 -2.144 410 HA GLU 60 HA GLU 60 -1.892 -7.420 -3.745 411 HB2 GLU 60 HB2 GLU 60 -4.361 -9.022 -4.432 412 HB3 GLU 60 HB1 GLU 60 -3.353 -8.183 -5.603 413 HG2 GLU 60 HG2 GLU 60 -1.621 -9.787 -4.088 414 HG3 GLU 60 HG1 GLU 60 -3.027 -10.784 -4.458 415 H ASP 61 HN ASP 61 -5.193 -7.336 -2.505 416 HA ASP 61 HA ASP 61 -6.119 -5.136 -3.966 417 HB2 ASP 61 HB2 ASP 61 -6.861 -6.354 -1.330 418 HB3 ASP 61 HB1 ASP 61 -7.574 -4.813 -1.800 419 H LEU 62 HN LEU 62 -4.596 -5.268 -0.757 420 HA LEU 62 HA LEU 62 -4.554 -2.456 -0.386 421 HB2 LEU 62 HB2 LEU 62 -4.461 -3.900 1.522 422 HB3 LEU 62 HB1 LEU 62 -3.021 -4.695 0.921 423 HG LEU 62 HG LEU 62 -1.641 -2.873 1.456 424 HD11 LEU 62 HD11 LEU 62 -2.772 -0.728 2.384 425 HD12 LEU 62 HD12 LEU 62 -4.179 -1.297 1.485 426 HD13 LEU 62 HD13 LEU 62 -2.665 -0.972 0.640 427 HD21 LEU 62 HD21 LEU 62 -3.655 -3.612 3.486 428 HD22 LEU 62 HD22 LEU 62 -2.636 -2.220 3.848 429 HD23 LEU 62 HD23 LEU 62 -1.901 -3.787 3.509 430 H ALA 63 HN ALA 63 -1.955 -4.766 -1.220 431 HA ALA 63 HA ALA 63 0.087 -2.906 -1.554 432 HB1 ALA 63 HB1 ALA 63 0.293 -5.419 -1.508 433 HB2 ALA 63 HB2 ALA 63 1.292 -4.589 -2.702 434 HB3 ALA 63 HB3 ALA 63 -0.189 -5.406 -3.205 435 H ARG 64 HN ARG 64 -2.047 -4.283 -4.057 436 HA ARG 64 HA ARG 64 -1.053 -2.740 -6.182 437 HB2 ARG 64 HB2 ARG 64 -2.611 -4.826 -6.186 438 HB3 ARG 64 HB1 ARG 64 -3.910 -3.647 -6.071 439 HG2 ARG 64 HG2 ARG 64 -1.820 -3.690 -8.237 440 HG3 ARG 64 HG1 ARG 64 -3.441 -4.373 -8.381 441 HD2 ARG 64 HD2 ARG 64 -4.173 -1.968 -7.625 442 HD3 ARG 64 HD1 ARG 64 -2.582 -1.521 -8.238 443 HE ARG 64 HE ARG 64 -3.442 -1.693 -10.334 444 HH11 ARG 64 HH11 ARG 64 -5.330 -3.738 -8.229 445 HH12 ARG 64 HH12 ARG 64 -6.438 -4.208 -9.474 446 HH21 ARG 64 HH21 ARG 64 -4.898 -2.310 -11.972 447 HH22 ARG 64 HH22 ARG 64 -6.193 -3.399 -11.599 448 H PHE 65 HN PHE 65 -3.704 -2.163 -3.907 449 HA PHE 65 HA PHE 65 -4.815 0.097 -5.088 450 HB2 PHE 65 HB2 PHE 65 -5.904 -1.004 -3.228 451 HB3 PHE 65 HB1 PHE 65 -4.558 -0.620 -2.160 452 HD1 PHE 65 HD2 PHE 65 -6.948 1.155 -4.415 453 HD2 PHE 65 HD1 PHE 65 -4.848 1.129 -0.714 454 HE1 PHE 65 HE2 PHE 65 -8.070 3.248 -3.768 455 HE2 PHE 65 HE1 PHE 65 -5.967 3.221 -0.060 456 HZ PHE 65 HZ PHE 65 -7.580 4.283 -1.588 457 H ALA 66 HN ALA 66 -2.348 -0.009 -2.509 458 HA ALA 66 HA ALA 66 -1.848 2.747 -2.443 459 HB1 ALA 66 HB1 ALA 66 -0.164 0.382 -1.659 460 HB2 ALA 66 HB2 ALA 66 -1.098 1.455 -0.616 461 HB3 ALA 66 HB3 ALA 66 0.359 2.048 -1.413 462 H VAL 67 HN VAL 67 0.022 0.168 -4.050 463 HA VAL 67 HA VAL 67 1.944 1.715 -5.277 464 HB VAL 67 HB VAL 67 0.623 -0.726 -6.473 465 HG11 VAL 67 HG11 VAL 67 3.334 0.504 -6.960 466 HG12 VAL 67 HG12 VAL 67 1.980 0.466 -8.091 467 HG13 VAL 67 HG13 VAL 67 2.777 -1.035 -7.620 468 HG21 VAL 67 HG21 VAL 67 3.198 -1.019 -5.102 469 HG22 VAL 67 HG22 VAL 67 1.766 -2.047 -5.061 470 HG23 VAL 67 HG23 VAL 67 1.848 -0.608 -4.044 471 H ARG 68 HN ARG 68 -1.164 0.693 -6.693 472 HA ARG 68 HA ARG 68 -0.890 2.208 -9.056 473 HB2 ARG 68 HB2 ARG 68 -2.420 0.338 -8.957 474 HB3 ARG 68 HB1 ARG 68 -3.347 1.113 -7.680 475 HG2 ARG 68 HG2 ARG 68 -4.238 2.712 -9.145 476 HG3 ARG 68 HG1 ARG 68 -3.039 2.360 -10.391 477 HD2 ARG 68 HD2 ARG 68 -4.285 0.724 -11.251 478 HD3 ARG 68 HD1 ARG 68 -4.566 0.007 -9.666 479 HE ARG 68 HE ARG 68 -6.322 1.762 -11.113 480 HH11 ARG 68 HH11 ARG 68 -5.438 0.567 -7.956 481 HH12 ARG 68 HH12 ARG 68 -6.986 0.904 -7.257 482 HH21 ARG 68 HH21 ARG 68 -8.359 2.206 -10.196 483 HH22 ARG 68 HH22 ARG 68 -8.644 1.834 -8.528 484 H GLU 69 HN GLU 69 -2.117 2.969 -5.874 485 HA GLU 69 HA GLU 69 -3.541 5.309 -6.514 486 HB2 GLU 69 HB2 GLU 69 -3.754 4.169 -4.352 487 HB3 GLU 69 HB1 GLU 69 -2.096 4.599 -3.954 488 HG2 GLU 69 HG2 GLU 69 -3.767 6.036 -2.858 489 HG3 GLU 69 HG1 GLU 69 -2.655 6.931 -3.894 490 H TYR 70 HN TYR 70 -0.145 4.763 -5.701 491 HA TYR 70 HA TYR 70 0.424 7.609 -6.025 492 HB2 TYR 70 HB2 TYR 70 2.317 7.266 -4.800 493 HB3 TYR 70 HB1 TYR 70 1.410 5.863 -4.252 494 HD1 TYR 70 HD1 TYR 70 2.029 3.625 -4.954 495 HD2 TYR 70 HD2 TYR 70 4.217 7.014 -6.301 496 HE1 TYR 70 HE1 TYR 70 3.840 2.145 -5.716 497 HE2 TYR 70 HE2 TYR 70 6.035 5.545 -7.066 498 HH TYR 70 HH TYR 70 6.756 2.906 -6.201 499 H ASN 71 HN ASN 71 0.467 4.745 -7.864 500 HA ASN 71 HA ASN 71 2.538 5.652 -9.684 501 HB2 ASN 71 HB2 ASN 71 0.892 3.170 -9.417 502 HB3 ASN 71 HB1 ASN 71 1.645 3.531 -10.966 503 HD21 ASN 71 HD21 ASN 71 3.997 4.035 -10.868 504 HD22 ASN 71 HD22 ASN 71 4.964 3.109 -9.776 505 H ASN 72 HN ASN 72 -0.891 5.838 -9.390 506 HA ASN 72 HA ASN 72 -1.343 6.309 -12.205 507 HB2 ASN 72 HB2 ASN 72 -3.621 6.338 -11.712 508 HB3 ASN 72 HB1 ASN 72 -2.979 5.237 -10.500 509 HD21 ASN 72 HD21 ASN 72 -2.987 5.827 -8.360 510 HD22 ASN 72 HD22 ASN 72 -3.834 7.213 -7.772 511 H LYS 73 HN LYS 73 -1.009 8.213 -9.271 512 HA LYS 73 HA LYS 73 -1.992 10.645 -10.005 513 HB2 LYS 73 HB2 LYS 73 0.101 11.561 -8.680 514 HB3 LYS 73 HB1 LYS 73 -1.206 10.713 -7.866 515 HG2 LYS 73 HG2 LYS 73 0.055 8.903 -7.417 516 HG3 LYS 73 HG1 LYS 73 1.046 9.080 -8.862 517 HD2 LYS 73 HD2 LYS 73 1.547 11.351 -7.275 518 HD3 LYS 73 HD1 LYS 73 1.575 9.966 -6.180 519 HE2 LYS 73 HE2 LYS 73 3.381 9.009 -7.225 520 HE3 LYS 73 HE1 LYS 73 3.022 9.770 -8.775 521 HZ1 LYS 73 HZ1 LYS 73 4.549 10.785 -6.517 522 HZ2 LYS 73 HZ2 LYS 73 3.571 11.910 -7.315 523 HZ3 LYS 73 HZ3 LYS 73 4.753 11.058 -8.175 524 H ASN 74 HN ASN 74 1.535 10.439 -10.073 525 HA ASN 74 HA ASN 74 1.606 11.210 -12.875 526 HB2 ASN 74 HB2 ASN 74 3.093 13.170 -12.321 527 HB3 ASN 74 HB1 ASN 74 1.405 13.366 -11.855 528 HD21 ASN 74 HD21 ASN 74 4.490 12.203 -10.544 529 HD22 ASN 74 HD22 ASN 74 4.247 12.824 -8.956 530 H ASN 75 HN ASN 75 2.637 9.104 -10.794 531 HA ASN 75 HA ASN 75 5.498 9.332 -11.108 532 HB2 ASN 75 HB2 ASN 75 3.826 8.063 -9.279 533 HB3 ASN 75 HB1 ASN 75 4.551 6.738 -10.183 534 HD21 ASN 75 HD21 ASN 75 6.494 6.082 -9.596 535 HD22 ASN 75 HD22 ASN 75 7.585 6.944 -8.570 536 H ALA 76 HN ALA 76 6.250 6.690 -11.485 537 HA ALA 76 HA ALA 76 5.995 6.463 -14.337 538 HB1 ALA 76 HB1 ALA 76 7.970 5.835 -12.602 539 HB2 ALA 76 HB2 ALA 76 7.846 5.183 -14.236 540 HB3 ALA 76 HB3 ALA 76 7.252 4.246 -12.865 541 H LEU 77 HN LEU 77 6.054 3.700 -14.715 542 HA LEU 77 HA LEU 77 3.433 2.814 -13.715 543 HB2 LEU 77 HB2 LEU 77 3.988 3.584 -16.340 544 HB3 LEU 77 HB1 LEU 77 4.009 1.831 -16.382 545 HG LEU 77 HG LEU 77 1.801 2.556 -16.935 546 HD11 LEU 77 HD11 LEU 77 0.701 1.086 -15.631 547 HD12 LEU 77 HD12 LEU 77 1.260 1.830 -14.133 548 HD13 LEU 77 HD13 LEU 77 2.318 0.734 -15.022 549 HD21 LEU 77 HD21 LEU 77 1.649 4.747 -16.139 550 HD22 LEU 77 HD22 LEU 77 2.074 4.277 -14.493 551 HD23 LEU 77 HD23 LEU 77 0.494 3.851 -15.151 552 H LEU 78 HN LEU 78 4.415 1.442 -12.220 553 HA LEU 78 HA LEU 78 5.947 -0.797 -13.368 554 HB2 LEU 78 HB2 LEU 78 6.539 -1.105 -10.829 555 HB3 LEU 78 HB1 LEU 78 7.412 0.042 -11.825 556 HG LEU 78 HG LEU 78 5.962 1.856 -10.941 557 HD11 LEU 78 HD11 LEU 78 4.841 1.093 -8.681 558 HD12 LEU 78 HD12 LEU 78 4.738 -0.452 -9.525 559 HD13 LEU 78 HD13 LEU 78 3.981 0.983 -10.217 560 HD21 LEU 78 HD21 LEU 78 7.872 1.972 -9.755 561 HD22 LEU 78 HD22 LEU 78 7.856 0.253 -9.360 562 HD23 LEU 78 HD23 LEU 78 6.859 1.379 -8.438 563 H GLU 79 HN GLU 79 5.739 -2.738 -11.588 564 HA GLU 79 HA GLU 79 2.907 -3.075 -10.921 565 HB2 GLU 79 HB2 GLU 79 4.521 -4.826 -12.752 566 HB3 GLU 79 HB1 GLU 79 3.159 -5.477 -11.850 567 HG2 GLU 79 HG2 GLU 79 1.748 -3.675 -12.876 568 HG3 GLU 79 HG1 GLU 79 3.120 -3.296 -13.916 569 H PHE 80 HN PHE 80 2.608 -3.973 -8.992 570 HA PHE 80 HA PHE 80 4.878 -4.781 -7.419 571 HB2 PHE 80 HB2 PHE 80 3.546 -4.408 -5.624 572 HB3 PHE 80 HB1 PHE 80 2.509 -3.600 -6.794 573 HD1 PHE 80 HD1 PHE 80 0.609 -4.903 -7.821 574 HD2 PHE 80 HD2 PHE 80 2.816 -6.294 -4.459 575 HE1 PHE 80 HE1 PHE 80 -1.207 -6.475 -7.286 576 HE2 PHE 80 HE2 PHE 80 1.004 -7.869 -3.916 577 HZ PHE 80 HZ PHE 80 -1.009 -7.962 -5.334 578 H VAL 81 HN VAL 81 5.207 -6.824 -6.459 579 HA VAL 81 HA VAL 81 3.998 -9.029 -7.984 580 HB VAL 81 HB VAL 81 5.930 -10.383 -7.253 581 HG11 VAL 81 HG11 VAL 81 6.505 -7.807 -8.701 582 HG12 VAL 81 HG12 VAL 81 6.104 -9.378 -9.396 583 HG13 VAL 81 HG13 VAL 81 7.657 -9.138 -8.596 584 HG21 VAL 81 HG21 VAL 81 6.422 -9.201 -5.168 585 HG22 VAL 81 HG22 VAL 81 6.953 -7.794 -6.089 586 HG23 VAL 81 HG23 VAL 81 7.850 -9.308 -6.198 587 H ARG 82 HN ARG 82 4.773 -7.924 -4.728 588 HA ARG 82 HA ARG 82 2.561 -9.058 -3.498 589 HB2 ARG 82 HB2 ARG 82 3.384 -11.001 -2.371 590 HB3 ARG 82 HB1 ARG 82 3.685 -11.213 -4.090 591 HG2 ARG 82 HG2 ARG 82 5.996 -10.609 -3.797 592 HG3 ARG 82 HG1 ARG 82 5.715 -10.271 -2.091 593 HD2 ARG 82 HD2 ARG 82 5.228 -12.965 -3.341 594 HD3 ARG 82 HD1 ARG 82 6.764 -12.508 -2.608 595 HE ARG 82 HE ARG 82 4.650 -12.040 -0.797 596 HH11 ARG 82 HH11 ARG 82 6.478 -14.644 -2.231 597 HH12 ARG 82 HH12 ARG 82 6.241 -15.715 -0.891 598 HH21 ARG 82 HH21 ARG 82 4.338 -13.447 0.967 599 HH22 ARG 82 HH22 ARG 82 5.026 -15.036 0.924 600 H VAL 83 HN VAL 83 2.758 -9.067 -1.061 601 HA VAL 83 HA VAL 83 4.392 -6.789 -0.293 602 HB VAL 83 HB VAL 83 3.065 -6.602 1.654 603 HG11 VAL 83 HG11 VAL 83 0.688 -7.310 0.354 604 HG12 VAL 83 HG12 VAL 83 1.825 -6.874 -0.921 605 HG13 VAL 83 HG13 VAL 83 1.475 -5.732 0.377 606 HG21 VAL 83 HG21 VAL 83 3.012 -8.807 2.502 607 HG22 VAL 83 HG22 VAL 83 2.169 -9.413 1.076 608 HG23 VAL 83 HG23 VAL 83 1.332 -8.356 2.212 609 H VAL 84 HN VAL 84 5.982 -6.806 1.244 610 HA VAL 84 HA VAL 84 6.863 -9.465 2.158 611 HB VAL 84 HB VAL 84 8.434 -8.438 0.585 612 HG11 VAL 84 HG11 VAL 84 7.919 -6.090 2.193 613 HG12 VAL 84 HG12 VAL 84 8.631 -6.223 0.586 614 HG13 VAL 84 HG13 VAL 84 9.647 -6.392 2.017 615 HG21 VAL 84 HG21 VAL 84 9.275 -9.885 2.384 616 HG22 VAL 84 HG22 VAL 84 9.504 -8.467 3.407 617 HG23 VAL 84 HG23 VAL 84 10.448 -8.650 1.929 618 H LYS 85 HN LYS 85 5.849 -6.338 3.145 619 HA LYS 85 HA LYS 85 6.261 -7.093 5.931 620 HB2 LYS 85 HB2 LYS 85 6.998 -4.307 5.088 621 HB3 LYS 85 HB1 LYS 85 7.401 -5.151 6.576 622 HG2 LYS 85 HG2 LYS 85 8.728 -6.732 4.975 623 HG3 LYS 85 HG1 LYS 85 8.658 -5.346 3.885 624 HD2 LYS 85 HD2 LYS 85 9.583 -3.955 5.766 625 HD3 LYS 85 HD1 LYS 85 9.851 -5.459 6.649 626 HE2 LYS 85 HE2 LYS 85 11.074 -6.155 4.425 627 HE3 LYS 85 HE1 LYS 85 11.212 -4.410 4.215 628 HZ1 LYS 85 HZ1 LYS 85 13.116 -5.506 5.378 629 HZ2 LYS 85 HZ2 LYS 85 12.077 -5.814 6.677 630 HZ3 LYS 85 HZ3 LYS 85 12.413 -4.220 6.225 631 H ALA 86 HN ALA 86 4.952 -5.898 7.423 632 HA ALA 86 HA ALA 86 2.928 -4.114 6.367 633 HB1 ALA 86 HB1 ALA 86 1.144 -5.640 7.504 634 HB2 ALA 86 HB2 ALA 86 2.334 -6.912 7.224 635 HB3 ALA 86 HB3 ALA 86 1.689 -5.992 5.864 636 H LYS 87 HN LYS 87 2.617 -2.560 7.818 637 HA LYS 87 HA LYS 87 2.874 -3.213 10.674 638 HB2 LYS 87 HB2 LYS 87 4.097 -0.873 9.213 639 HB3 LYS 87 HB1 LYS 87 3.929 -0.932 10.962 640 HG2 LYS 87 HG2 LYS 87 6.024 -1.746 10.833 641 HG3 LYS 87 HG1 LYS 87 5.170 -3.268 10.571 642 HD2 LYS 87 HD2 LYS 87 5.294 -2.744 8.091 643 HD3 LYS 87 HD1 LYS 87 6.430 -1.463 8.519 644 HE2 LYS 87 HE2 LYS 87 6.749 -4.407 9.091 645 HE3 LYS 87 HE1 LYS 87 7.623 -3.478 7.875 646 HZ1 LYS 87 HZ1 LYS 87 7.737 -2.821 10.760 647 HZ2 LYS 87 HZ2 LYS 87 8.763 -2.283 9.528 648 HZ3 LYS 87 HZ3 LYS 87 8.821 -3.897 10.031 649 H GLU 88 HN GLU 88 1.791 -1.693 12.107 650 HA GLU 88 HA GLU 88 -0.474 -0.343 10.788 651 HB2 GLU 88 HB2 GLU 88 -1.811 -0.871 12.791 652 HB3 GLU 88 HB1 GLU 88 -1.235 -2.320 11.978 653 HG2 GLU 88 HG2 GLU 88 0.574 -1.379 14.055 654 HG3 GLU 88 HG1 GLU 88 -1.033 -1.784 14.657 655 H GLN 89 HN GLN 89 -1.384 1.486 11.971 656 HA GLN 89 HA GLN 89 0.095 2.695 14.102 657 HB2 GLN 89 HB2 GLN 89 1.578 3.219 12.206 658 HB3 GLN 89 HB1 GLN 89 0.234 3.984 11.370 659 HG2 GLN 89 HG2 GLN 89 1.080 5.856 12.259 660 HG3 GLN 89 HG1 GLN 89 0.186 5.347 13.690 661 HE21 GLN 89 HE21 GLN 89 1.475 3.751 15.088 662 HE22 GLN 89 HE22 GLN 89 3.117 4.190 15.399 663 H VAL 90 HN VAL 90 -1.051 4.319 15.106 664 HA VAL 90 HA VAL 90 -3.733 4.829 14.003 665 HB VAL 90 HB VAL 90 -2.889 5.099 16.888 666 HG11 VAL 90 HG11 VAL 90 -5.430 4.859 17.159 667 HG12 VAL 90 HG12 VAL 90 -5.511 5.240 15.439 668 HG13 VAL 90 HG13 VAL 90 -4.803 6.397 16.566 669 HG21 VAL 90 HG21 VAL 90 -4.248 2.961 17.150 670 HG22 VAL 90 HG22 VAL 90 -2.643 2.803 16.437 671 HG23 VAL 90 HG23 VAL 90 -4.074 2.768 15.406 672 H VAL 91 HN VAL 91 -4.062 6.790 13.221 673 HA VAL 91 HA VAL 91 -3.202 9.142 14.638 674 HB VAL 91 HB VAL 91 -2.073 10.109 12.573 675 HG11 VAL 91 HG11 VAL 91 -0.523 7.830 13.759 676 HG12 VAL 91 HG12 VAL 91 -0.970 9.244 14.714 677 HG13 VAL 91 HG13 VAL 91 0.049 9.431 13.287 678 HG21 VAL 91 HG21 VAL 91 -0.916 8.272 11.203 679 HG22 VAL 91 HG22 VAL 91 -2.607 8.627 10.849 680 HG23 VAL 91 HG23 VAL 91 -2.186 7.210 11.811 681 H SER 92 HN SER 92 -5.256 9.909 14.698 682 HA SER 92 HA SER 92 -7.185 10.893 14.003 683 HB2 SER 92 HB2 SER 92 -5.723 11.254 11.376 684 HB3 SER 92 HB1 SER 92 -7.143 12.150 11.916 685 HG SER 92 HG SER 92 -5.012 13.175 12.227 686 H GLY 93 HN GLY 93 -6.644 7.986 13.517 687 HA2 GLY 93 HA2 GLY 93 -8.973 7.016 12.672 688 HA3 GLY 93 HA1 GLY 93 -8.214 7.407 11.136 689 H MET 94 HN MET 94 -7.098 5.832 10.204 690 HA MET 94 HA MET 94 -5.646 3.912 11.851 691 HB2 MET 94 HB2 MET 94 -7.788 3.156 9.862 692 HB3 MET 94 HB1 MET 94 -6.580 2.023 10.455 693 HG2 MET 94 HG2 MET 94 -8.350 3.545 12.331 694 HG3 MET 94 HG1 MET 94 -8.877 2.043 11.573 695 HE1 MET 94 HE1 MET 94 -8.011 3.526 14.383 696 HE2 MET 94 HE2 MET 94 -6.275 3.334 14.626 697 HE3 MET 94 HE3 MET 94 -7.406 2.267 15.459 698 H MET 95 HN MET 95 -3.645 3.963 11.093 699 HA MET 95 HA MET 95 -3.238 4.271 8.191 700 HB2 MET 95 HB2 MET 95 -2.261 5.869 10.190 701 HB3 MET 95 HB1 MET 95 -0.926 4.753 9.942 702 HG2 MET 95 HG2 MET 95 -0.763 5.352 7.637 703 HG3 MET 95 HG1 MET 95 -2.239 6.311 7.731 704 HE1 MET 95 HE1 MET 95 -2.326 8.328 7.652 705 HE2 MET 95 HE2 MET 95 -0.925 9.375 7.432 706 HE3 MET 95 HE3 MET 95 -1.777 9.356 8.975 707 H HIS 96 HN HIS 96 -1.842 2.893 7.125 708 HA HIS 96 HA HIS 96 -0.683 0.699 8.702 709 HB2 HIS 96 HB2 HIS 96 -2.928 0.314 7.267 710 HB3 HIS 96 HB1 HIS 96 -1.729 0.021 6.012 711 HD1 HIS 96 HD1 HIS 96 -2.009 -1.070 9.657 712 HD2 HIS 96 HD2 HIS 96 -1.271 -2.629 5.877 713 HE1 HIS 96 HE1 HIS 96 -1.600 -3.526 10.011 714 HE2 HIS 96 HE2 HIS 96 -1.071 -4.432 7.721 715 H TYR 97 HN TYR 97 1.411 0.487 8.346 716 HA TYR 97 HA TYR 97 2.552 1.599 5.876 717 HB2 TYR 97 HB2 TYR 97 3.756 1.047 8.590 718 HB3 TYR 97 HB1 TYR 97 4.730 1.454 7.182 719 HD1 TYR 97 HD2 TYR 97 1.560 2.799 8.662 720 HD2 TYR 97 HD1 TYR 97 5.492 3.622 7.259 721 HE1 TYR 97 HE2 TYR 97 1.216 5.189 9.120 722 HE2 TYR 97 HE1 TYR 97 5.160 6.015 7.716 723 HH TYR 97 HH TYR 97 2.241 7.410 8.182 724 H LEU 98 HN LEU 98 2.292 -0.112 4.468 725 HA LEU 98 HA LEU 98 3.621 -2.633 5.217 726 HB2 LEU 98 HB2 LEU 98 2.199 -3.769 3.656 727 HB3 LEU 98 HB1 LEU 98 1.204 -2.808 4.735 728 HG LEU 98 HG LEU 98 1.911 -1.370 2.298 729 HD11 LEU 98 HD11 LEU 98 0.295 -3.902 2.056 730 HD12 LEU 98 HD12 LEU 98 1.861 -3.584 1.310 731 HD13 LEU 98 HD13 LEU 98 0.446 -2.656 0.816 732 HD21 LEU 98 HD21 LEU 98 -0.649 -1.202 2.286 733 HD22 LEU 98 HD22 LEU 98 0.226 -0.447 3.618 734 HD23 LEU 98 HD23 LEU 98 -0.571 -2.002 3.855 735 H THR 99 HN THR 99 5.135 -3.533 3.888 736 HA THR 99 HA THR 99 6.034 -1.858 1.637 737 HB THR 99 HB THR 99 7.850 -3.886 2.829 738 HG1 THR 99 HG1 THR 99 6.965 -1.573 4.168 739 HG21 THR 99 HG21 THR 99 9.550 -2.499 2.199 740 HG22 THR 99 HG22 THR 99 8.563 -1.044 2.335 741 HG23 THR 99 HG23 THR 99 8.346 -2.131 0.963 742 H VAL 100 HN VAL 100 6.189 -2.745 -0.362 743 HA VAL 100 HA VAL 100 5.938 -5.660 -0.593 744 HB VAL 100 HB VAL 100 4.247 -5.585 -2.227 745 HG11 VAL 100 HG11 VAL 100 3.333 -3.419 -0.364 746 HG12 VAL 100 HG12 VAL 100 3.599 -5.070 0.193 747 HG13 VAL 100 HG13 VAL 100 2.403 -4.744 -1.062 748 HG21 VAL 100 HG21 VAL 100 3.356 -3.099 -2.751 749 HG22 VAL 100 HG22 VAL 100 4.535 -3.947 -3.752 750 HG23 VAL 100 HG23 VAL 100 5.079 -2.774 -2.551 751 H GLU 101 HN GLU 101 6.551 -6.496 -2.725 752 HA GLU 101 HA GLU 101 8.881 -5.066 -3.715 753 HB2 GLU 101 HB2 GLU 101 7.890 -7.865 -3.821 754 HB3 GLU 101 HB1 GLU 101 8.890 -7.325 -5.162 755 HG2 GLU 101 HG2 GLU 101 10.690 -6.777 -3.670 756 HG3 GLU 101 HG1 GLU 101 9.684 -7.135 -2.267 757 H VAL 102 HN VAL 102 9.047 -4.126 -5.669 758 HA VAL 102 HA VAL 102 6.775 -4.415 -7.520 759 HB VAL 102 HB VAL 102 8.353 -1.879 -7.096 760 HG11 VAL 102 HG11 VAL 102 7.490 -1.705 -9.221 761 HG12 VAL 102 HG12 VAL 102 6.185 -1.005 -8.263 762 HG13 VAL 102 HG13 VAL 102 6.064 -2.668 -8.838 763 HG21 VAL 102 HG21 VAL 102 5.819 -2.859 -5.848 764 HG22 VAL 102 HG22 VAL 102 6.059 -1.134 -6.127 765 HG23 VAL 102 HG23 VAL 102 7.186 -2.027 -5.105 766 H ASN 103 HN ASN 103 7.220 -4.315 -9.731 767 HA ASN 103 HA ASN 103 10.068 -4.525 -10.453 768 HB2 ASN 103 HB2 ASN 103 8.794 -6.713 -10.491 769 HB3 ASN 103 HB1 ASN 103 7.829 -6.039 -11.801 770 HD21 ASN 103 HD21 ASN 103 10.103 -8.159 -11.341 771 HD22 ASN 103 HD22 ASN 103 11.089 -7.935 -12.742 772 H ASP 104 HN ASP 104 10.714 -3.590 -12.385 773 HA ASP 104 HA ASP 104 8.672 -2.070 -13.857 774 HB2 ASP 104 HB2 ASP 104 10.237 -0.781 -12.150 775 HB3 ASP 104 HB1 ASP 104 11.380 -0.870 -13.487 776 H ALA 105 HN ALA 105 8.736 -3.661 -15.485 777 HA ALA 105 HA ALA 105 9.453 -4.669 -17.398 778 HB1 ALA 105 HB1 ALA 105 10.683 -1.968 -17.456 779 HB2 ALA 105 HB2 ALA 105 9.508 -2.703 -18.547 780 HB3 ALA 105 HB3 ALA 105 11.212 -3.143 -18.661 781 H GLY 106 HN GLY 106 10.904 -5.268 -14.909 782 HA2 GLY 106 HA2 GLY 106 12.557 -7.156 -15.179 783 HA3 GLY 106 HA1 GLY 106 13.536 -5.983 -16.046 784 H LYS 107 HN LYS 107 13.024 -3.758 -14.338 785 HA LYS 107 HA LYS 107 15.013 -4.212 -12.369 786 HB2 LYS 107 HB2 LYS 107 13.158 -1.932 -12.986 787 HB3 LYS 107 HB1 LYS 107 14.157 -1.902 -11.539 788 HG2 LYS 107 HG2 LYS 107 16.152 -1.909 -12.794 789 HG3 LYS 107 HG1 LYS 107 15.302 -2.336 -14.280 790 HD2 LYS 107 HD2 LYS 107 15.794 -0.029 -14.448 791 HD3 LYS 107 HD1 LYS 107 14.077 -0.133 -14.056 792 HE2 LYS 107 HE2 LYS 107 14.695 1.457 -12.549 793 HE3 LYS 107 HE1 LYS 107 15.015 0.017 -11.583 794 HZ1 LYS 107 HZ1 LYS 107 16.889 1.434 -11.408 795 HZ2 LYS 107 HZ2 LYS 107 16.984 1.651 -13.082 796 HZ3 LYS 107 HZ3 LYS 107 17.351 0.146 -12.403 797 H LYS 108 HN LYS 108 14.675 -5.459 -10.650 798 HA LYS 108 HA LYS 108 12.050 -5.430 -9.346 799 HB2 LYS 108 HB2 LYS 108 12.964 -7.623 -9.986 800 HB3 LYS 108 HB1 LYS 108 14.381 -7.323 -8.989 801 HG2 LYS 108 HG2 LYS 108 13.193 -8.564 -7.522 802 HG3 LYS 108 HG1 LYS 108 12.513 -6.983 -7.129 803 HD2 LYS 108 HD2 LYS 108 10.903 -7.743 -9.174 804 HD3 LYS 108 HD1 LYS 108 11.275 -9.306 -8.443 805 HE2 LYS 108 HE2 LYS 108 9.572 -8.825 -7.064 806 HE3 LYS 108 HE1 LYS 108 10.747 -7.796 -6.245 807 HZ1 LYS 108 HZ1 LYS 108 8.402 -6.927 -7.149 808 HZ2 LYS 108 HZ2 LYS 108 9.368 -6.588 -8.495 809 HZ3 LYS 108 HZ3 LYS 108 9.761 -5.933 -6.986 810 H LYS 109 HN LYS 109 11.741 -4.525 -7.405 811 HA LYS 109 HA LYS 109 13.917 -4.186 -5.537 812 HB2 LYS 109 HB2 LYS 109 12.700 -1.869 -7.005 813 HB3 LYS 109 HB1 LYS 109 13.308 -1.661 -5.368 814 HG2 LYS 109 HG2 LYS 109 15.510 -2.503 -6.130 815 HG3 LYS 109 HG1 LYS 109 14.877 -2.556 -7.776 816 HD2 LYS 109 HD2 LYS 109 15.985 -0.504 -7.671 817 HD3 LYS 109 HD1 LYS 109 14.291 -0.080 -7.413 818 HE2 LYS 109 HE2 LYS 109 14.622 0.481 -5.233 819 HE3 LYS 109 HE1 LYS 109 15.915 -0.697 -5.012 820 HZ1 LYS 109 HZ1 LYS 109 16.053 2.041 -6.051 821 HZ2 LYS 109 HZ2 LYS 109 17.166 0.907 -6.629 822 HZ3 LYS 109 HZ3 LYS 109 17.086 1.244 -4.973 823 H LEU 110 HN LEU 110 13.128 -3.022 -3.524 824 HA LEU 110 HA LEU 110 10.333 -3.800 -3.009 825 HB2 LEU 110 HB2 LEU 110 11.703 -5.162 -1.667 826 HB3 LEU 110 HB1 LEU 110 12.786 -3.841 -1.275 827 HG LEU 110 HG LEU 110 11.157 -2.860 0.206 828 HD11 LEU 110 HD11 LEU 110 9.076 -3.180 -0.754 829 HD12 LEU 110 HD12 LEU 110 9.032 -4.270 0.632 830 HD13 LEU 110 HD13 LEU 110 9.334 -4.910 -0.984 831 HD21 LEU 110 HD21 LEU 110 12.594 -4.839 0.927 832 HD22 LEU 110 HD22 LEU 110 11.121 -5.801 0.808 833 HD23 LEU 110 HD23 LEU 110 11.200 -4.445 1.933 834 H TYR 111 HN TYR 111 8.962 -2.185 -2.656 835 HA TYR 111 HA TYR 111 10.040 0.368 -1.653 836 HB2 TYR 111 HB2 TYR 111 7.609 0.072 -3.417 837 HB3 TYR 111 HB1 TYR 111 8.443 1.558 -2.980 838 HD1 TYR 111 HD1 TYR 111 11.286 0.371 -3.414 839 HD2 TYR 111 HD2 TYR 111 7.750 0.403 -5.784 840 HE1 TYR 111 HE1 TYR 111 12.654 0.201 -5.448 841 HE2 TYR 111 HE2 TYR 111 9.112 0.230 -7.824 842 HH TYR 111 HH TYR 111 11.613 -0.760 -8.291 843 H GLU 112 HN GLU 112 8.917 1.457 -0.079 844 HA GLU 112 HA GLU 112 6.966 -0.142 1.391 845 HB2 GLU 112 HB2 GLU 112 9.112 1.192 2.296 846 HB3 GLU 112 HB1 GLU 112 7.910 2.466 2.450 847 HG2 GLU 112 HG2 GLU 112 6.605 0.360 3.562 848 HG3 GLU 112 HG1 GLU 112 8.276 0.017 4.008 849 H ALA 113 HN ALA 113 4.898 0.485 1.795 850 HA ALA 113 HA ALA 113 4.004 3.061 0.691 851 HB1 ALA 113 HB1 ALA 113 2.382 2.150 -0.611 852 HB2 ALA 113 HB2 ALA 113 2.156 0.759 0.449 853 HB3 ALA 113 HB3 ALA 113 3.529 0.811 -0.657 854 H LYS 114 HN LYS 114 2.709 4.202 2.003 855 HA LYS 114 HA LYS 114 1.564 2.810 4.334 856 HB2 LYS 114 HB2 LYS 114 1.796 4.972 5.562 857 HB3 LYS 114 HB1 LYS 114 3.327 4.228 5.120 858 HG2 LYS 114 HG2 LYS 114 3.044 5.791 3.006 859 HG3 LYS 114 HG1 LYS 114 2.076 6.727 4.144 860 HD2 LYS 114 HD2 LYS 114 4.207 7.615 4.418 861 HD3 LYS 114 HD1 LYS 114 4.096 6.444 5.731 862 HE2 LYS 114 HE2 LYS 114 5.577 4.998 4.752 863 HE3 LYS 114 HE1 LYS 114 5.183 5.532 3.119 864 HZ1 LYS 114 HZ1 LYS 114 7.422 6.201 4.377 865 HZ2 LYS 114 HZ2 LYS 114 6.448 7.506 4.835 866 HZ3 LYS 114 HZ3 LYS 114 6.701 7.174 3.196 867 H VAL 115 HN VAL 115 -0.566 2.732 4.288 868 HA VAL 115 HA VAL 115 -2.034 4.809 2.810 869 HB VAL 115 HB VAL 115 -3.044 2.088 3.648 870 HG11 VAL 115 HG11 VAL 115 -4.152 4.101 1.694 871 HG12 VAL 115 HG12 VAL 115 -4.784 3.779 3.308 872 HG13 VAL 115 HG13 VAL 115 -4.846 2.524 2.070 873 HG21 VAL 115 HG21 VAL 115 -2.259 1.159 1.757 874 HG22 VAL 115 HG22 VAL 115 -1.106 2.493 1.787 875 HG23 VAL 115 HG23 VAL 115 -2.562 2.608 0.799 876 H TRP 116 HN TRP 116 -3.906 5.742 3.707 877 HA TRP 116 HA TRP 116 -4.212 5.393 6.616 878 HB2 TRP 116 HB2 TRP 116 -2.998 7.482 6.111 879 HB3 TRP 116 HB1 TRP 116 -4.337 8.008 5.101 880 HD1 TRP 116 HD1 TRP 116 -4.175 6.693 8.763 881 HE1 TRP 116 HE1 TRP 116 -5.543 8.306 10.231 882 HE3 TRP 116 HE3 TRP 116 -5.616 10.035 5.172 883 HZ2 TRP 116 HZ2 TRP 116 -7.034 10.682 9.907 884 HZ3 TRP 116 HZ3 TRP 116 -7.014 11.949 5.834 885 HH2 TRP 116 HH2 TRP 116 -7.709 12.264 8.154 886 H GLU 117 HN GLU 117 -6.270 5.446 7.428 887 HA GLU 117 HA GLU 117 -8.508 6.151 5.728 888 HB2 GLU 117 HB2 GLU 117 -8.145 3.846 5.063 889 HB3 GLU 117 HB1 GLU 117 -8.107 3.332 6.744 890 HG2 GLU 117 HG2 GLU 117 -10.550 4.747 5.994 891 HG3 GLU 117 HG1 GLU 117 -10.285 3.246 5.109 892 H GLN 118 HN GLN 118 -10.002 7.138 6.928 893 HA GLN 118 HA GLN 118 -9.865 6.851 9.837 894 HB2 GLN 118 HB2 GLN 118 -11.515 8.901 8.393 895 HB3 GLN 118 HB1 GLN 118 -10.830 8.973 10.008 896 HG2 GLN 118 HG2 GLN 118 -9.410 10.380 8.945 897 HG3 GLN 118 HG1 GLN 118 -8.560 8.859 8.672 898 HE21 GLN 118 HE21 GLN 118 -7.875 8.589 6.684 899 HE22 GLN 118 HE22 GLN 118 -8.601 9.229 5.253 900 H VAL 119 HN VAL 119 -12.126 7.252 10.897 901 HA VAL 119 HA VAL 119 -14.037 5.418 9.602 902 HB VAL 119 HB VAL 119 -13.068 4.481 11.655 903 HG11 VAL 119 HG11 VAL 119 -14.357 6.794 13.096 904 HG12 VAL 119 HG12 VAL 119 -12.629 6.656 12.768 905 HG13 VAL 119 HG13 VAL 119 -13.425 5.478 13.812 906 HG21 VAL 119 HG21 VAL 119 -15.030 3.584 12.396 907 HG22 VAL 119 HG22 VAL 119 -15.609 4.344 10.913 908 HG23 VAL 119 HG23 VAL 119 -15.847 5.145 12.466 909 H TRP 120 HN TRP 120 -13.657 8.373 11.479 910 HA TRP 120 HA TRP 120 -16.490 8.963 11.407 911 HB2 TRP 120 HB2 TRP 120 -15.813 11.076 12.537 912 HB3 TRP 120 HB1 TRP 120 -15.255 9.632 13.376 913 HD1 TRP 120 HD1 TRP 120 -13.937 12.551 11.255 914 HE1 TRP 120 HE1 TRP 120 -11.403 12.765 11.652 915 HE3 TRP 120 HE3 TRP 120 -13.202 8.358 14.086 916 HZ2 TRP 120 HZ2 TRP 120 -9.363 11.343 12.987 917 HZ3 TRP 120 HZ3 TRP 120 -10.929 7.856 14.882 918 HH2 TRP 120 HH2 TRP 120 -9.050 9.318 14.342 919 H MET 121 HN MET 121 -13.717 9.582 9.470 920 HA MET 121 HA MET 121 -15.026 11.799 8.081 921 HB2 MET 121 HB2 MET 121 -12.665 12.091 8.691 922 HB3 MET 121 HB1 MET 121 -12.244 10.655 7.768 923 HG2 MET 121 HG2 MET 121 -11.898 11.961 6.021 924 HG3 MET 121 HG1 MET 121 -13.630 12.281 5.981 925 HE1 MET 121 HE1 MET 121 -10.977 14.060 5.075 926 HE2 MET 121 HE2 MET 121 -10.101 13.736 6.571 927 HE3 MET 121 HE3 MET 121 -10.593 15.383 6.176 928 H ASN 122 HN ASN 122 -14.259 8.445 7.758 929 HA ASN 122 HA ASN 122 -14.760 6.890 6.187 930 HB2 ASN 122 HB2 ASN 122 -16.722 9.059 5.605 931 HB3 ASN 122 HB1 ASN 122 -16.545 7.767 4.422 932 HD21 ASN 122 HD21 ASN 122 -16.547 7.907 7.969 933 HD22 ASN 122 HD22 ASN 122 -17.762 6.698 8.184 934 H PHE 123 HN PHE 123 -12.465 8.424 5.780 935 HA PHE 123 HA PHE 123 -12.347 8.494 2.838 936 HB2 PHE 123 HB2 PHE 123 -12.037 10.691 4.455 937 HB3 PHE 123 HB1 PHE 123 -10.372 10.167 4.226 938 HD1 PHE 123 HD2 PHE 123 -10.004 9.378 1.610 939 HD2 PHE 123 HD1 PHE 123 -12.690 12.355 3.036 940 HE1 PHE 123 HE2 PHE 123 -9.965 10.464 -0.597 941 HE2 PHE 123 HE1 PHE 123 -12.656 13.447 0.832 942 HZ PHE 123 HZ PHE 123 -11.292 12.502 -0.988 943 H ARG 124 HN ARG 124 -10.632 7.500 1.879 944 HA ARG 124 HA ARG 124 -8.421 6.545 3.521 945 HB2 ARG 124 HB2 ARG 124 -8.668 4.237 2.572 946 HB3 ARG 124 HB1 ARG 124 -9.928 4.697 3.707 947 HG2 ARG 124 HG2 ARG 124 -10.369 5.093 0.785 948 HG3 ARG 124 HG1 ARG 124 -10.537 3.484 1.490 949 HD2 ARG 124 HD2 ARG 124 -12.440 4.017 2.573 950 HD3 ARG 124 HD1 ARG 124 -11.881 5.644 2.964 951 HE ARG 124 HE ARG 124 -12.367 5.637 0.250 952 HH11 ARG 124 HH11 ARG 124 -14.215 5.082 3.157 953 HH12 ARG 124 HH12 ARG 124 -15.702 5.643 2.469 954 HH21 ARG 124 HH21 ARG 124 -14.321 6.375 -0.657 955 HH22 ARG 124 HH22 ARG 124 -15.762 6.376 0.303 956 H GLN 125 HN GLN 125 -6.542 6.698 2.463 957 HA GLN 125 HA GLN 125 -6.324 6.268 -0.362 958 HB2 GLN 125 HB2 GLN 125 -5.362 8.608 -0.754 959 HB3 GLN 125 HB1 GLN 125 -7.111 8.460 -0.652 960 HG2 GLN 125 HG2 GLN 125 -7.238 9.707 1.202 961 HG3 GLN 125 HG1 GLN 125 -5.781 9.003 1.901 962 HE21 GLN 125 HE21 GLN 125 -3.855 10.023 1.657 963 HE22 GLN 125 HE22 GLN 125 -3.669 11.560 0.892 964 H LEU 126 HN LEU 126 -4.020 6.947 -1.108 965 HA LEU 126 HA LEU 126 -2.180 5.713 0.734 966 HB2 LEU 126 HB2 LEU 126 -2.021 5.156 -1.606 967 HB3 LEU 126 HB1 LEU 126 -1.830 6.844 -2.041 968 HG LEU 126 HG LEU 126 0.227 5.972 -0.178 969 HD11 LEU 126 HD11 LEU 126 -0.408 3.881 -1.634 970 HD12 LEU 126 HD12 LEU 126 1.278 4.300 -1.330 971 HD13 LEU 126 HD13 LEU 126 0.525 4.731 -2.865 972 HD21 LEU 126 HD21 LEU 126 0.237 8.041 -1.546 973 HD22 LEU 126 HD22 LEU 126 0.404 7.043 -2.990 974 HD23 LEU 126 HD23 LEU 126 1.675 7.046 -1.768 975 H GLN 127 HN GLN 127 -0.567 6.662 1.877 976 HA GLN 127 HA GLN 127 -0.649 9.571 2.067 977 HB2 GLN 127 HB2 GLN 127 0.091 7.357 3.856 978 HB3 GLN 127 HB1 GLN 127 1.142 8.761 3.970 979 HG2 GLN 127 HG2 GLN 127 -0.801 8.699 5.561 980 HG3 GLN 127 HG1 GLN 127 -0.632 10.169 4.603 981 HE21 GLN 127 HE21 GLN 127 -1.911 7.070 3.532 982 HE22 GLN 127 HE22 GLN 127 -3.515 7.632 3.222 983 H GLU 128 HN GLU 128 1.933 7.100 2.026 984 HA GLU 128 HA GLU 128 3.438 8.747 0.153 985 HB2 GLU 128 HB2 GLU 128 4.886 7.743 2.576 986 HB3 GLU 128 HB1 GLU 128 5.346 9.020 1.461 987 HG2 GLU 128 HG2 GLU 128 2.994 9.261 3.311 988 HG3 GLU 128 HG1 GLU 128 4.629 9.728 3.777 989 H PHE 129 HN PHE 129 5.231 7.647 -0.822 990 HA PHE 129 HA PHE 129 5.293 4.739 -0.485 991 HB2 PHE 129 HB2 PHE 129 3.759 5.604 -2.432 992 HB3 PHE 129 HB1 PHE 129 5.289 5.877 -3.259 993 HD1 PHE 129 HD2 PHE 129 6.741 3.992 -3.838 994 HD2 PHE 129 HD1 PHE 129 2.920 3.400 -2.061 995 HE1 PHE 129 HE2 PHE 129 6.795 1.629 -4.519 996 HE2 PHE 129 HE1 PHE 129 2.968 1.034 -2.737 997 HZ PHE 129 HZ PHE 129 4.908 0.146 -3.969 998 H THR 130 HN THR 130 7.347 4.486 0.172 999 HA THR 130 HA THR 130 9.463 6.036 -1.135 1000 HB THR 130 HB THR 130 10.829 5.590 0.726 1001 HG1 THR 130 HG1 THR 130 9.085 3.428 1.189 1002 HG21 THR 130 HG21 THR 130 8.680 6.954 1.216 1003 HG22 THR 130 HG22 THR 130 9.707 6.423 2.548 1004 HG23 THR 130 HG23 THR 130 8.225 5.544 2.173 1005 H TYR 131 HN TYR 131 11.338 5.031 -1.971 1006 HA TYR 131 HA TYR 131 10.870 2.264 -2.848 1007 HB2 TYR 131 HB2 TYR 131 12.476 2.809 -4.686 1008 HB3 TYR 131 HB1 TYR 131 11.008 3.780 -4.713 1009 HD1 TYR 131 HD1 TYR 131 11.085 6.154 -4.004 1010 HD2 TYR 131 HD2 TYR 131 14.618 3.810 -4.354 1011 HE1 TYR 131 HE1 TYR 131 12.439 8.207 -4.015 1012 HE2 TYR 131 HE2 TYR 131 15.982 5.856 -4.366 1013 HH TYR 131 HH TYR 131 15.820 8.182 -3.634 1014 H LEU 132 HN LEU 132 11.936 0.851 -1.628 1015 HA LEU 132 HA LEU 132 14.457 1.580 -0.385 1016 HB2 LEU 132 HB2 LEU 132 13.266 -1.149 -0.171 1017 HB3 LEU 132 HB1 LEU 132 14.183 -0.241 1.015 1018 HG LEU 132 HG LEU 132 11.298 0.190 0.244 1019 HD11 LEU 132 HD11 LEU 132 11.251 -1.559 1.723 1020 HD12 LEU 132 HD12 LEU 132 11.183 -0.191 2.834 1021 HD13 LEU 132 HD13 LEU 132 12.709 -1.033 2.564 1022 HD21 LEU 132 HD21 LEU 132 13.238 1.922 1.653 1023 HD22 LEU 132 HD22 LEU 132 11.633 1.778 2.368 1024 HD23 LEU 132 HD23 LEU 132 11.811 2.347 0.708 1025 H GLY 133 HN GLY 133 15.868 -0.717 -0.281 1026 HA2 GLY 133 HA2 GLY 133 17.073 -0.804 -2.866 1027 HA3 GLY 133 HA1 GLY 133 17.526 -1.780 -1.476 1028 H ASP 134 HN ASP 134 16.206 -3.690 -1.016 1029 HA ASP 134 HA ASP 134 14.382 -4.685 -2.970 1030 HB2 ASP 134 HB2 ASP 134 16.505 -4.992 -4.200 1031 HB3 ASP 134 HB1 ASP 134 17.121 -5.969 -2.871 1032 H ALA 135 HN ALA 135 13.652 -6.892 -2.463 1033 HA ALA 135 HA ALA 135 13.905 -7.411 0.419 1034 HB1 ALA 135 HB1 ALA 135 11.644 -6.924 -0.756 1035 HB2 ALA 135 HB2 ALA 135 11.740 -8.224 0.433 1036 HB3 ALA 135 HB3 ALA 135 11.760 -8.601 -1.290 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 9.669 4.005 20.601 2 H2 MET 1 HT2 MET 1 8.657 2.743 20.029 3 H3 MET 1 HT3 MET 1 8.171 4.381 19.859 4 HA MET 1 HA MET 1 10.572 3.232 18.613 5 HB2 MET 1 HB2 MET 1 8.037 2.480 18.024 6 HB3 MET 1 HB1 MET 1 8.180 3.904 17.002 7 HG2 MET 1 HG2 MET 1 8.769 1.902 15.779 8 HG3 MET 1 HG1 MET 1 10.168 2.960 15.953 9 HE1 MET 1 HE1 MET 1 9.544 -0.710 18.671 10 HE2 MET 1 HE2 MET 1 8.271 0.062 17.726 11 HE3 MET 1 HE3 MET 1 8.979 0.904 19.105 12 H ALA 2 HN ALA 2 11.087 4.598 16.638 13 HA ALA 2 HA ALA 2 11.647 7.219 17.408 14 HB1 ALA 2 HB1 ALA 2 12.790 7.365 15.468 15 HB2 ALA 2 HB2 ALA 2 11.457 6.723 14.508 16 HB3 ALA 2 HB3 ALA 2 12.500 5.626 15.413 17 H ASP 3 HN ASP 3 8.837 5.861 15.891 18 HA ASP 3 HA ASP 3 6.928 6.765 15.022 19 HB2 ASP 3 HB2 ASP 3 5.815 8.334 16.506 20 HB3 ASP 3 HB1 ASP 3 6.650 7.108 17.454 21 H GLU 4 HN GLU 4 9.382 7.783 13.829 22 HA GLU 4 HA GLU 4 9.009 10.593 13.357 23 HB2 GLU 4 HB2 GLU 4 10.756 8.586 11.921 24 HB3 GLU 4 HB1 GLU 4 10.835 10.331 11.724 25 HG2 GLU 4 HG2 GLU 4 11.652 10.643 13.910 26 HG3 GLU 4 HG1 GLU 4 11.251 8.990 14.376 27 H GLN 5 HN GLN 5 8.580 7.638 11.436 28 HA GLN 5 HA GLN 5 7.461 9.021 9.199 29 HB2 GLN 5 HB2 GLN 5 8.431 6.437 9.710 30 HB3 GLN 5 HB1 GLN 5 6.734 6.224 9.302 31 HG2 GLN 5 HG2 GLN 5 8.846 7.572 7.639 32 HG3 GLN 5 HG1 GLN 5 8.047 6.035 7.313 33 HE21 GLN 5 HE21 GLN 5 8.222 8.795 5.975 34 HE22 GLN 5 HE22 GLN 5 6.581 9.136 5.555 35 HA PRO 6 HA PRO 6 3.270 7.316 10.805 36 HB2 PRO 6 HB2 PRO 6 3.163 6.087 13.204 37 HB3 PRO 6 HB1 PRO 6 3.571 5.220 11.719 38 HG2 PRO 6 HG2 PRO 6 5.380 6.270 13.858 39 HG3 PRO 6 HG1 PRO 6 5.443 4.720 13.000 40 HD2 PRO 6 HD2 PRO 6 7.025 6.850 12.372 41 HD3 PRO 6 HD1 PRO 6 6.524 5.625 11.190 42 H LYS 7 HN LYS 7 1.661 7.982 12.506 43 HA LYS 7 HA LYS 7 0.763 9.585 13.846 44 HB2 LYS 7 HB2 LYS 7 2.525 8.519 15.401 45 HB3 LYS 7 HB1 LYS 7 3.475 9.966 15.090 46 HG2 LYS 7 HG2 LYS 7 0.653 10.218 16.026 47 HG3 LYS 7 HG1 LYS 7 1.939 9.845 17.176 48 HD2 LYS 7 HD2 LYS 7 3.160 11.852 16.392 49 HD3 LYS 7 HD1 LYS 7 1.793 12.241 15.347 50 HE2 LYS 7 HE2 LYS 7 1.144 13.480 17.117 51 HE3 LYS 7 HE1 LYS 7 0.514 11.938 17.694 52 HZ1 LYS 7 HZ1 LYS 7 1.995 13.360 19.233 53 HZ2 LYS 7 HZ2 LYS 7 3.278 12.727 18.332 54 HZ3 LYS 7 HZ3 LYS 7 2.243 11.687 19.173 55 H LYS 8 HN LYS 8 0.617 10.877 11.872 56 HA LYS 8 HA LYS 8 1.473 13.518 12.266 57 HB2 LYS 8 HB2 LYS 8 3.306 11.809 10.763 58 HB3 LYS 8 HB1 LYS 8 2.812 13.235 9.861 59 HG2 LYS 8 HG2 LYS 8 3.953 14.641 11.197 60 HG3 LYS 8 HG1 LYS 8 3.608 13.708 12.655 61 HD2 LYS 8 HD2 LYS 8 5.851 13.308 12.462 62 HD3 LYS 8 HD1 LYS 8 5.227 11.969 11.496 63 HE2 LYS 8 HE2 LYS 8 5.738 14.542 10.110 64 HE3 LYS 8 HE1 LYS 8 7.139 13.599 10.616 65 HZ1 LYS 8 HZ1 LYS 8 5.817 11.677 9.479 66 HZ2 LYS 8 HZ2 LYS 8 6.752 12.738 8.552 67 HZ3 LYS 8 HZ3 LYS 8 5.075 12.945 8.638 68 HA PRO 9 HA PRO 9 -1.676 14.323 9.296 69 HB2 PRO 9 HB2 PRO 9 -0.746 16.445 7.875 70 HB3 PRO 9 HB1 PRO 9 -1.306 16.576 9.546 71 HG2 PRO 9 HG2 PRO 9 1.490 16.367 8.496 72 HG3 PRO 9 HG1 PRO 9 0.849 17.419 9.772 73 HD2 PRO 9 HD2 PRO 9 2.208 15.145 10.314 74 HD3 PRO 9 HD1 PRO 9 0.899 15.742 11.355 75 H VAL 10 HN VAL 10 -2.267 14.334 7.018 76 HA VAL 10 HA VAL 10 -0.203 13.277 5.217 77 HB VAL 10 HB VAL 10 -1.564 11.499 4.433 78 HG11 VAL 10 HG11 VAL 10 -1.789 10.102 6.367 79 HG12 VAL 10 HG12 VAL 10 -1.885 11.508 7.428 80 HG13 VAL 10 HG13 VAL 10 -0.379 11.138 6.589 81 HG21 VAL 10 HG21 VAL 10 -3.756 12.808 6.009 82 HG22 VAL 10 HG22 VAL 10 -3.850 11.112 5.531 83 HG23 VAL 10 HG23 VAL 10 -3.727 12.370 4.301 84 HA PRO 11 HA PRO 11 -1.963 16.027 2.252 85 HB2 PRO 11 HB2 PRO 11 -1.410 14.783 -0.077 86 HB3 PRO 11 HB1 PRO 11 -0.147 15.497 0.933 87 HG2 PRO 11 HG2 PRO 11 -0.995 12.636 0.700 88 HG3 PRO 11 HG1 PRO 11 0.641 13.315 0.784 89 HD2 PRO 11 HD2 PRO 11 -0.633 12.213 2.927 90 HD3 PRO 11 HD1 PRO 11 0.580 13.499 3.073 91 H ALA 12 HN ALA 12 -3.197 15.675 -0.091 92 HA ALA 12 HA ALA 12 -5.481 13.898 0.455 93 HB1 ALA 12 HB1 ALA 12 -6.990 15.623 -0.421 94 HB2 ALA 12 HB2 ALA 12 -5.623 16.726 -0.586 95 HB3 ALA 12 HB3 ALA 12 -6.124 16.175 1.013 96 H ALA 13 HN ALA 13 -5.742 12.466 -1.115 97 HA ALA 13 HA ALA 13 -5.728 13.202 -3.876 98 HB1 ALA 13 HB1 ALA 13 -3.255 12.928 -3.202 99 HB2 ALA 13 HB2 ALA 13 -3.825 12.122 -4.664 100 HB3 ALA 13 HB3 ALA 13 -3.612 11.201 -3.175 101 H GLU 14 HN GLU 14 -6.562 11.573 -5.229 102 HA GLU 14 HA GLU 14 -6.993 8.906 -4.475 103 HB2 GLU 14 HB2 GLU 14 -8.561 10.348 -2.913 104 HB3 GLU 14 HB1 GLU 14 -9.590 10.376 -4.338 105 HG2 GLU 14 HG2 GLU 14 -9.157 7.779 -4.281 106 HG3 GLU 14 HG1 GLU 14 -8.841 8.106 -2.577 107 H GLU 15 HN GLU 15 -6.654 8.248 -6.517 108 HA GLU 15 HA GLU 15 -8.707 8.379 -8.426 109 HB2 GLU 15 HB2 GLU 15 -7.403 9.696 -10.174 110 HB3 GLU 15 HB1 GLU 15 -8.160 10.626 -8.888 111 HG2 GLU 15 HG2 GLU 15 -6.158 11.167 -7.909 112 HG3 GLU 15 HG1 GLU 15 -5.330 9.760 -8.575 113 H ALA 16 HN ALA 16 -7.707 7.742 -10.719 114 HA ALA 16 HA ALA 16 -5.530 5.815 -10.266 115 HB1 ALA 16 HB1 ALA 16 -8.283 5.298 -11.196 116 HB2 ALA 16 HB2 ALA 16 -7.161 4.251 -10.328 117 HB3 ALA 16 HB3 ALA 16 -6.995 4.469 -12.070 118 HA PRO 17 HA PRO 17 -3.767 7.245 -14.040 119 HB2 PRO 17 HB2 PRO 17 -2.861 4.980 -15.228 120 HB3 PRO 17 HB1 PRO 17 -2.108 5.674 -13.788 121 HG2 PRO 17 HG2 PRO 17 -4.049 3.404 -14.003 122 HG3 PRO 17 HG1 PRO 17 -2.586 3.535 -13.008 123 HD2 PRO 17 HD2 PRO 17 -5.071 3.933 -12.007 124 HD3 PRO 17 HD1 PRO 17 -3.645 4.796 -11.394 125 H ALA 18 HN ALA 18 -3.714 6.815 -16.496 126 HA ALA 18 HA ALA 18 -6.477 6.472 -17.363 127 HB1 ALA 18 HB1 ALA 18 -4.231 7.329 -19.149 128 HB2 ALA 18 HB2 ALA 18 -4.943 8.450 -17.988 129 HB3 ALA 18 HB3 ALA 18 -5.947 7.727 -19.245 130 H ALA 19 HN ALA 19 -3.250 5.180 -18.033 131 HA ALA 19 HA ALA 19 -2.547 3.261 -19.033 132 HB1 ALA 19 HB1 ALA 19 -3.814 1.295 -18.699 133 HB2 ALA 19 HB2 ALA 19 -5.329 2.194 -18.620 134 HB3 ALA 19 HB3 ALA 19 -4.152 2.332 -17.313 135 H GLU 20 HN GLU 20 -2.408 4.485 -21.031 136 HA GLU 20 HA GLU 20 -4.553 4.013 -22.960 137 HB2 GLU 20 HB2 GLU 20 -3.261 5.561 -24.413 138 HB3 GLU 20 HB1 GLU 20 -3.731 6.279 -22.878 139 HG2 GLU 20 HG2 GLU 20 -1.602 6.471 -22.156 140 HG3 GLU 20 HG1 GLU 20 -1.078 4.994 -22.962 141 H ALA 21 HN ALA 21 -1.246 3.121 -22.269 142 HA ALA 21 HA ALA 21 -1.148 1.515 -24.729 143 HB1 ALA 21 HB1 ALA 21 0.700 3.221 -23.968 144 HB2 ALA 21 HB2 ALA 21 1.136 1.691 -24.727 145 HB3 ALA 21 HB3 ALA 21 1.233 1.864 -22.975 146 H GLU 22 HN GLU 22 -0.675 -0.680 -24.665 147 HA GLU 22 HA GLU 22 -1.473 -2.018 -22.228 148 HB2 GLU 22 HB2 GLU 22 -2.158 -2.657 -24.624 149 HB3 GLU 22 HB1 GLU 22 -0.556 -3.368 -24.757 150 HG2 GLU 22 HG2 GLU 22 -1.545 -5.220 -24.006 151 HG3 GLU 22 HG1 GLU 22 -1.423 -4.450 -22.425 152 H ALA 23 HN ALA 23 -0.220 -3.289 -20.932 153 HA ALA 23 HA ALA 23 2.550 -3.813 -21.650 154 HB1 ALA 23 HB1 ALA 23 3.430 -2.832 -19.578 155 HB2 ALA 23 HB2 ALA 23 1.824 -2.209 -19.200 156 HB3 ALA 23 HB3 ALA 23 2.687 -1.617 -20.619 157 H GLU 24 HN GLU 24 3.635 -5.192 -19.987 158 HA GLU 24 HA GLU 24 1.875 -7.328 -19.240 159 HB2 GLU 24 HB2 GLU 24 4.462 -7.269 -19.971 160 HB3 GLU 24 HB1 GLU 24 4.663 -7.286 -18.224 161 HG2 GLU 24 HG2 GLU 24 3.829 -9.394 -18.005 162 HG3 GLU 24 HG1 GLU 24 2.805 -9.258 -19.433 163 H GLU 25 HN GLU 25 2.344 -8.355 -16.964 164 HA GLU 25 HA GLU 25 2.877 -6.666 -14.772 165 HB2 GLU 25 HB2 GLU 25 0.528 -6.563 -13.870 166 HB3 GLU 25 HB1 GLU 25 0.841 -5.528 -15.256 167 HG2 GLU 25 HG2 GLU 25 -0.399 -6.868 -16.695 168 HG3 GLU 25 HG1 GLU 25 -0.332 -8.257 -15.610 169 H GLU 26 HN GLU 26 2.697 -7.744 -12.756 170 HA GLU 26 HA GLU 26 2.416 -10.656 -13.038 171 HB2 GLU 26 HB2 GLU 26 3.917 -9.019 -10.987 172 HB3 GLU 26 HB1 GLU 26 3.789 -10.772 -10.965 173 HG2 GLU 26 HG2 GLU 26 5.060 -9.131 -13.145 174 HG3 GLU 26 HG1 GLU 26 5.917 -10.024 -11.889 175 H GLU 27 HN GLU 27 0.431 -11.287 -12.475 176 HA GLU 27 HA GLU 27 -0.503 -10.738 -9.795 177 HB2 GLU 27 HB2 GLU 27 -2.695 -9.905 -10.482 178 HB3 GLU 27 HB1 GLU 27 -1.417 -8.834 -11.038 179 HG2 GLU 27 HG2 GLU 27 -1.881 -9.190 -13.199 180 HG3 GLU 27 HG1 GLU 27 -2.191 -10.909 -12.956 181 H GLY 28 HN GLY 28 -2.947 -11.760 -9.759 182 HA2 GLY 28 HA2 GLY 28 -3.334 -14.053 -11.402 183 HA3 GLY 28 HA1 GLY 28 -2.613 -14.505 -9.865 184 H LEU 29 HN LEU 29 -3.844 -12.904 -8.070 185 HA LEU 29 HA LEU 29 -6.725 -13.224 -8.481 186 HB2 LEU 29 HB2 LEU 29 -7.001 -14.271 -6.295 187 HB3 LEU 29 HB1 LEU 29 -6.001 -15.253 -7.350 188 HG LEU 29 HG LEU 29 -4.044 -13.961 -6.101 189 HD11 LEU 29 HD11 LEU 29 -6.414 -13.750 -4.281 190 HD12 LEU 29 HD12 LEU 29 -5.210 -12.527 -4.688 191 HD13 LEU 29 HD13 LEU 29 -4.776 -13.876 -3.639 192 HD21 LEU 29 HD21 LEU 29 -4.183 -15.852 -4.351 193 HD22 LEU 29 HD22 LEU 29 -4.020 -16.282 -6.054 194 HD23 LEU 29 HD23 LEU 29 -5.595 -16.382 -5.266 195 H HIS 30 HN HIS 30 -8.026 -11.873 -7.194 196 HA HIS 30 HA HIS 30 -7.067 -10.193 -5.154 197 HB2 HIS 30 HB2 HIS 30 -7.144 -8.023 -6.408 198 HB3 HIS 30 HB1 HIS 30 -5.787 -9.057 -6.839 199 HD1 HIS 30 HD1 HIS 30 -6.078 -10.405 -9.152 200 HD2 HIS 30 HD2 HIS 30 -8.723 -7.268 -8.502 201 HE1 HIS 30 HE1 HIS 30 -7.058 -9.875 -11.406 202 HE2 HIS 30 HE2 HIS 30 -8.591 -7.917 -11.002 203 H LEU 31 HN LEU 31 -8.686 -8.812 -4.308 204 HA LEU 31 HA LEU 31 -11.341 -9.742 -4.763 205 HB2 LEU 31 HB2 LEU 31 -10.067 -8.584 -2.663 206 HB3 LEU 31 HB1 LEU 31 -10.984 -7.221 -3.275 207 HG LEU 31 HG LEU 31 -12.956 -9.018 -3.217 208 HD11 LEU 31 HD11 LEU 31 -11.059 -9.907 -1.051 209 HD12 LEU 31 HD12 LEU 31 -11.587 -10.855 -2.441 210 HD13 LEU 31 HD13 LEU 31 -12.746 -10.400 -1.193 211 HD21 LEU 31 HD21 LEU 31 -11.892 -7.089 -1.247 212 HD22 LEU 31 HD22 LEU 31 -13.131 -8.206 -0.674 213 HD23 LEU 31 HD23 LEU 31 -13.463 -7.149 -2.046 214 H GLU 32 HN GLU 32 -12.969 -7.568 -4.587 215 HA GLU 32 HA GLU 32 -12.340 -5.600 -6.579 216 HB2 GLU 32 HB2 GLU 32 -14.056 -7.951 -7.237 217 HB3 GLU 32 HB1 GLU 32 -14.506 -6.381 -7.888 218 HG2 GLU 32 HG2 GLU 32 -13.154 -6.913 -9.576 219 HG3 GLU 32 HG1 GLU 32 -11.851 -6.474 -8.472 220 H ASP 33 HN ASP 33 -13.646 -3.825 -6.433 221 HA ASP 33 HA ASP 33 -16.248 -3.844 -5.311 222 HB2 ASP 33 HB2 ASP 33 -14.558 -4.168 -3.317 223 HB3 ASP 33 HB1 ASP 33 -14.322 -2.433 -3.506 224 H ASP 34 HN ASP 34 -13.476 -1.605 -5.118 225 HA ASP 34 HA ASP 34 -14.687 0.113 -7.120 226 HB2 ASP 34 HB2 ASP 34 -15.470 0.642 -4.625 227 HB3 ASP 34 HB1 ASP 34 -13.935 1.505 -4.597 228 H GLN 35 HN GLN 35 -12.723 -0.655 -8.171 229 HA GLN 35 HA GLN 35 -10.600 -0.363 -8.932 230 HB2 GLN 35 HB2 GLN 35 -11.181 2.237 -7.580 231 HB3 GLN 35 HB1 GLN 35 -9.540 1.918 -8.125 232 HG2 GLN 35 HG2 GLN 35 -12.028 1.968 -9.814 233 HG3 GLN 35 HG1 GLN 35 -10.720 3.149 -9.811 234 HE21 GLN 35 HE21 GLN 35 -11.731 -0.013 -10.808 235 HE22 GLN 35 HE22 GLN 35 -10.416 -0.320 -11.886 236 H GLU 36 HN GLU 36 -10.062 -2.196 -7.528 237 HA GLU 36 HA GLU 36 -8.691 -3.268 -6.064 238 HB2 GLU 36 HB2 GLU 36 -7.281 -0.606 -6.229 239 HB3 GLU 36 HB1 GLU 36 -6.642 -1.966 -5.315 240 HG2 GLU 36 HG2 GLU 36 -5.576 -1.917 -7.446 241 HG3 GLU 36 HG1 GLU 36 -6.658 -3.308 -7.398 242 HA PRO 37 HA PRO 37 -11.172 -1.683 -2.502 243 HB2 PRO 37 HB2 PRO 37 -10.611 -4.515 -1.757 244 HB3 PRO 37 HB1 PRO 37 -12.120 -3.601 -1.652 245 HG2 PRO 37 HG2 PRO 37 -11.760 -5.402 -3.577 246 HG3 PRO 37 HG1 PRO 37 -12.597 -3.874 -3.907 247 HD2 PRO 37 HD2 PRO 37 -9.823 -4.711 -4.620 248 HD3 PRO 37 HD1 PRO 37 -10.967 -3.700 -5.526 249 H ARG 38 HN ARG 38 -10.685 -2.260 -0.045 250 HA ARG 38 HA ARG 38 -7.769 -2.115 0.350 251 HB2 ARG 38 HB2 ARG 38 -8.178 -0.538 2.206 252 HB3 ARG 38 HB1 ARG 38 -8.706 0.102 0.656 253 HG2 ARG 38 HG2 ARG 38 -10.554 0.646 1.802 254 HG3 ARG 38 HG1 ARG 38 -10.995 -1.037 1.506 255 HD2 ARG 38 HD2 ARG 38 -9.507 -1.299 3.747 256 HD3 ARG 38 HD1 ARG 38 -10.192 0.305 4.002 257 HE ARG 38 HE ARG 38 -11.550 -2.168 4.234 258 HH11 ARG 38 HH11 ARG 38 -12.006 1.117 3.147 259 HH12 ARG 38 HH12 ARG 38 -13.713 1.107 3.433 260 HH21 ARG 38 HH21 ARG 38 -13.796 -2.183 4.611 261 HH22 ARG 38 HH22 ARG 38 -14.730 -0.766 4.265 262 H GLU 39 HN GLU 39 -7.471 -2.248 2.962 263 HA GLU 39 HA GLU 39 -9.014 -4.586 3.867 264 HB2 GLU 39 HB2 GLU 39 -6.774 -5.262 3.034 265 HB3 GLU 39 HB1 GLU 39 -6.036 -4.197 4.222 266 HG2 GLU 39 HG2 GLU 39 -7.679 -5.718 5.776 267 HG3 GLU 39 HG1 GLU 39 -7.177 -6.866 4.536 268 H HIS 40 HN HIS 40 -9.436 -4.721 6.059 269 HA HIS 40 HA HIS 40 -8.893 -2.259 7.574 270 HB2 HIS 40 HB2 HIS 40 -10.850 -2.907 8.954 271 HB3 HIS 40 HB1 HIS 40 -11.262 -2.686 7.256 272 HD1 HIS 40 HD1 HIS 40 -11.366 -5.137 9.984 273 HD2 HIS 40 HD2 HIS 40 -11.705 -5.168 5.842 274 HE1 HIS 40 HE1 HIS 40 -12.388 -7.362 9.410 275 HE2 HIS 40 HE2 HIS 40 -12.663 -7.322 6.906 276 HA PRO 41 HA PRO 41 -6.253 -5.362 9.708 277 HB2 PRO 41 HB2 PRO 41 -4.379 -3.571 10.509 278 HB3 PRO 41 HB1 PRO 41 -4.371 -4.312 8.904 279 HG2 PRO 41 HG2 PRO 41 -5.366 -1.614 9.740 280 HG3 PRO 41 HG1 PRO 41 -4.410 -2.062 8.315 281 HD2 PRO 41 HD2 PRO 41 -7.083 -1.640 8.203 282 HD3 PRO 41 HD1 PRO 41 -6.256 -2.811 7.155 283 H ILE 42 HN ILE 42 -5.024 -4.773 11.997 284 HA ILE 42 HA ILE 42 -7.170 -3.737 13.731 285 HB ILE 42 HB ILE 42 -6.780 -6.153 13.998 286 HG12 ILE 42 HG12 ILE 42 -5.798 -4.613 16.408 287 HG13 ILE 42 HG11 ILE 42 -7.485 -4.687 15.911 288 HG21 ILE 42 HG21 ILE 42 -4.189 -5.817 15.334 289 HG22 ILE 42 HG22 ILE 42 -4.160 -5.605 13.584 290 HG23 ILE 42 HG23 ILE 42 -4.767 -7.107 14.280 291 HD11 ILE 42 HD11 ILE 42 -7.761 -6.617 16.952 292 HD12 ILE 42 HD12 ILE 42 -6.132 -6.437 17.604 293 HD13 ILE 42 HD13 ILE 42 -6.388 -7.331 16.105 294 H MET 43 HN MET 43 -6.488 -2.726 15.742 295 HA MET 43 HA MET 43 -4.587 -0.717 15.370 296 HB2 MET 43 HB2 MET 43 -4.843 -0.292 17.801 297 HB3 MET 43 HB1 MET 43 -6.381 -0.452 16.965 298 HG2 MET 43 HG2 MET 43 -5.988 -3.000 17.749 299 HG3 MET 43 HG1 MET 43 -5.171 -2.133 19.048 300 HE1 MET 43 HE1 MET 43 -9.070 -3.504 19.200 301 HE2 MET 43 HE2 MET 43 -7.854 -3.801 17.958 302 HE3 MET 43 HE3 MET 43 -9.179 -2.680 17.644 303 H GLY 44 HN GLY 44 -2.896 -0.430 17.365 304 HA2 GLY 44 HA2 GLY 44 -1.423 -2.245 18.589 305 HA3 GLY 44 HA1 GLY 44 -0.986 -2.599 16.925 306 H GLY 45 HN GLY 45 1.177 -2.036 17.233 307 HA2 GLY 45 HA2 GLY 45 1.624 0.873 17.366 308 HA3 GLY 45 HA1 GLY 45 2.592 -0.208 18.358 309 H ILE 46 HN ILE 46 4.047 1.320 16.831 310 HA ILE 46 HA ILE 46 4.475 0.317 14.186 311 HB ILE 46 HB ILE 46 6.390 1.981 15.819 312 HG12 ILE 46 HG12 ILE 46 4.167 3.032 15.805 313 HG13 ILE 46 HG11 ILE 46 5.311 3.951 14.831 314 HG21 ILE 46 HG21 ILE 46 6.643 2.816 13.271 315 HG22 ILE 46 HG22 ILE 46 6.215 1.126 13.005 316 HG23 ILE 46 HG23 ILE 46 7.623 1.536 13.985 317 HD11 ILE 46 HD11 ILE 46 4.371 3.044 12.806 318 HD12 ILE 46 HD12 ILE 46 3.097 3.762 13.791 319 HD13 ILE 46 HD13 ILE 46 3.289 2.010 13.739 320 H TYR 47 HN TYR 47 4.653 -1.972 14.840 321 HA TYR 47 HA TYR 47 7.303 -2.873 14.737 322 HB2 TYR 47 HB2 TYR 47 6.948 -2.052 17.223 323 HB3 TYR 47 HB1 TYR 47 6.155 -3.614 17.396 324 HD1 TYR 47 HD1 TYR 47 9.341 -1.904 16.817 325 HD2 TYR 47 HD2 TYR 47 7.428 -5.677 17.263 326 HE1 TYR 47 HE1 TYR 47 11.534 -2.973 17.126 327 HE2 TYR 47 HE2 TYR 47 9.615 -6.757 17.574 328 HH TYR 47 HH TYR 47 11.890 -6.139 18.284 329 H ASP 48 HN ASP 48 4.016 -3.610 15.795 330 HA ASP 48 HA ASP 48 4.113 -6.393 15.481 331 HB2 ASP 48 HB2 ASP 48 1.963 -4.344 15.613 332 HB3 ASP 48 HB1 ASP 48 1.528 -5.918 14.953 333 H ALA 49 HN ALA 49 3.291 -7.734 13.799 334 HA ALA 49 HA ALA 49 2.647 -6.668 11.225 335 HB1 ALA 49 HB1 ALA 49 5.032 -6.295 11.123 336 HB2 ALA 49 HB2 ALA 49 4.593 -7.607 10.029 337 HB3 ALA 49 HB3 ALA 49 5.345 -7.968 11.583 338 HA PRO 50 HA PRO 50 1.537 -11.150 12.195 339 HB2 PRO 50 HB2 PRO 50 -1.033 -10.875 12.917 340 HB3 PRO 50 HB1 PRO 50 0.285 -10.675 14.079 341 HG2 PRO 50 HG2 PRO 50 -1.300 -8.587 12.633 342 HG3 PRO 50 HG1 PRO 50 -0.790 -8.629 14.331 343 HD2 PRO 50 HD2 PRO 50 0.506 -7.198 12.389 344 HD3 PRO 50 HD1 PRO 50 1.298 -7.820 13.850 345 H LEU 51 HN LEU 51 -0.549 -8.661 10.783 346 HA LEU 51 HA LEU 51 -1.789 -8.586 8.876 347 HB2 LEU 51 HB2 LEU 51 0.687 -9.384 8.144 348 HB3 LEU 51 HB1 LEU 51 -0.257 -10.739 7.554 349 HG LEU 51 HG LEU 51 -0.584 -7.842 6.775 350 HD11 LEU 51 HD11 LEU 51 1.240 -9.600 5.850 351 HD12 LEU 51 HD12 LEU 51 0.535 -8.307 4.880 352 HD13 LEU 51 HD13 LEU 51 -0.113 -9.944 4.772 353 HD21 LEU 51 HD21 LEU 51 -2.417 -8.433 5.441 354 HD22 LEU 51 HD22 LEU 51 -2.724 -9.214 6.992 355 HD23 LEU 51 HD23 LEU 51 -2.114 -10.159 5.634 356 H ASN 52 HN ASN 52 -3.779 -9.357 9.266 357 HA ASN 52 HA ASN 52 -4.239 -12.196 9.615 358 HB2 ASN 52 HB2 ASN 52 -6.177 -9.873 9.585 359 HB3 ASN 52 HB1 ASN 52 -6.586 -11.533 10.008 360 HD21 ASN 52 HD21 ASN 52 -7.252 -9.914 11.872 361 HD22 ASN 52 HD22 ASN 52 -6.130 -9.871 13.185 362 H ASN 53 HN ASN 53 -5.269 -9.659 7.344 363 HA ASN 53 HA ASN 53 -6.599 -11.496 5.608 364 HB2 ASN 53 HB2 ASN 53 -5.936 -8.593 5.543 365 HB3 ASN 53 HB1 ASN 53 -6.356 -9.381 4.026 366 HD21 ASN 53 HD21 ASN 53 -8.289 -11.093 4.653 367 HD22 ASN 53 HD22 ASN 53 -9.659 -10.278 5.318 368 H GLU 54 HN GLU 54 -4.513 -12.884 5.690 369 HA GLU 54 HA GLU 54 -2.632 -12.055 3.596 370 HB2 GLU 54 HB2 GLU 54 -2.432 -14.313 5.597 371 HB3 GLU 54 HB1 GLU 54 -1.196 -13.873 4.427 372 HG2 GLU 54 HG2 GLU 54 -0.891 -11.731 5.499 373 HG3 GLU 54 HG1 GLU 54 -2.202 -12.081 6.625 374 H ASN 55 HN ASN 55 -5.454 -13.292 3.363 375 HA ASN 55 HA ASN 55 -5.251 -15.881 2.328 376 HB2 ASN 55 HB2 ASN 55 -7.392 -15.330 1.140 377 HB3 ASN 55 HB1 ASN 55 -7.412 -14.979 2.865 378 HD21 ASN 55 HD21 ASN 55 -8.893 -13.888 0.489 379 HD22 ASN 55 HD22 ASN 55 -8.711 -12.175 0.620 380 H GLY 56 HN GLY 56 -4.571 -12.770 0.901 381 HA2 GLY 56 HA2 GLY 56 -2.858 -12.926 -0.913 382 HA3 GLY 56 HA1 GLY 56 -3.910 -14.133 -1.638 383 H PHE 57 HN PHE 57 -6.384 -12.975 -1.365 384 HA PHE 57 HA PHE 57 -6.439 -11.190 -3.537 385 HB2 PHE 57 HB2 PHE 57 -8.572 -11.690 -1.449 386 HB3 PHE 57 HB1 PHE 57 -8.825 -10.915 -3.009 387 HD1 PHE 57 HD2 PHE 57 -8.044 -14.089 -1.325 388 HD2 PHE 57 HD1 PHE 57 -9.015 -12.192 -5.008 389 HE1 PHE 57 HE2 PHE 57 -8.471 -16.289 -2.341 390 HE2 PHE 57 HE1 PHE 57 -9.445 -14.388 -6.031 391 HZ PHE 57 HZ PHE 57 -9.172 -16.440 -4.697 392 H ASP 58 HN ASP 58 -6.983 -10.616 -0.066 393 HA ASP 58 HA ASP 58 -7.370 -7.855 -0.212 394 HB2 ASP 58 HB2 ASP 58 -6.565 -9.760 1.934 395 HB3 ASP 58 HB1 ASP 58 -6.333 -8.040 2.234 396 H LYS 59 HN LYS 59 -4.384 -9.665 0.497 397 HA LYS 59 HA LYS 59 -2.699 -7.439 0.715 398 HB2 LYS 59 HB2 LYS 59 -0.881 -8.966 0.602 399 HB3 LYS 59 HB1 LYS 59 -2.190 -9.813 1.414 400 HG2 LYS 59 HG2 LYS 59 -2.700 -11.050 -0.573 401 HG3 LYS 59 HG1 LYS 59 -1.533 -10.114 -1.507 402 HD2 LYS 59 HD2 LYS 59 -0.427 -11.388 0.893 403 HD3 LYS 59 HD1 LYS 59 -1.021 -12.518 -0.325 404 HE2 LYS 59 HE2 LYS 59 0.375 -11.486 -2.012 405 HE3 LYS 59 HE1 LYS 59 0.909 -10.264 -0.859 406 HZ1 LYS 59 HZ1 LYS 59 1.656 -12.347 0.486 407 HZ2 LYS 59 HZ2 LYS 59 2.624 -11.754 -0.768 408 HZ3 LYS 59 HZ3 LYS 59 1.638 -13.103 -1.028 409 H GLU 60 HN GLU 60 -3.806 -9.247 -2.076 410 HA GLU 60 HA GLU 60 -1.959 -8.212 -3.945 411 HB2 GLU 60 HB2 GLU 60 -4.660 -9.498 -4.178 412 HB3 GLU 60 HB1 GLU 60 -3.863 -8.835 -5.598 413 HG2 GLU 60 HG2 GLU 60 -2.165 -10.578 -3.977 414 HG3 GLU 60 HG1 GLU 60 -3.574 -11.376 -4.674 415 H ASP 61 HN ASP 61 -5.401 -7.362 -3.488 416 HA ASP 61 HA ASP 61 -5.409 -5.151 -5.182 417 HB2 ASP 61 HB2 ASP 61 -7.417 -4.414 -3.865 418 HB3 ASP 61 HB1 ASP 61 -7.491 -6.074 -4.444 419 H LEU 62 HN LEU 62 -4.649 -5.373 -1.745 420 HA LEU 62 HA LEU 62 -4.460 -2.624 -1.214 421 HB2 LEU 62 HB2 LEU 62 -4.567 -4.206 0.586 422 HB3 LEU 62 HB1 LEU 62 -3.091 -4.988 0.056 423 HG LEU 62 HG LEU 62 -1.737 -3.221 0.823 424 HD11 LEU 62 HD11 LEU 62 -4.207 -1.562 1.299 425 HD12 LEU 62 HD12 LEU 62 -3.145 -1.395 -0.098 426 HD13 LEU 62 HD13 LEU 62 -2.530 -1.065 1.521 427 HD21 LEU 62 HD21 LEU 62 -3.920 -4.064 2.639 428 HD22 LEU 62 HD22 LEU 62 -2.866 -2.758 3.182 429 HD23 LEU 62 HD23 LEU 62 -2.180 -4.327 2.757 430 H ALA 63 HN ALA 63 -1.874 -4.959 -1.982 431 HA ALA 63 HA ALA 63 0.244 -3.152 -2.035 432 HB1 ALA 63 HB1 ALA 63 0.584 -5.557 -2.027 433 HB2 ALA 63 HB2 ALA 63 1.421 -4.823 -3.395 434 HB3 ALA 63 HB3 ALA 63 -0.101 -5.677 -3.648 435 H ARG 64 HN ARG 64 -1.682 -4.359 -4.784 436 HA ARG 64 HA ARG 64 -0.476 -2.744 -6.737 437 HB2 ARG 64 HB2 ARG 64 -2.119 -4.783 -6.933 438 HB3 ARG 64 HB1 ARG 64 -3.355 -3.533 -6.948 439 HG2 ARG 64 HG2 ARG 64 -1.071 -3.824 -8.887 440 HG3 ARG 64 HG1 ARG 64 -2.778 -4.141 -9.204 441 HD2 ARG 64 HD2 ARG 64 -3.071 -1.658 -8.433 442 HD3 ARG 64 HD1 ARG 64 -1.361 -1.538 -8.847 443 HE ARG 64 HE ARG 64 -3.570 -1.753 -10.663 444 HH11 ARG 64 HH11 ARG 64 -0.161 -2.371 -10.246 445 HH12 ARG 64 HH12 ARG 64 0.182 -2.328 -11.943 446 HH21 ARG 64 HH21 ARG 64 -3.122 -1.697 -12.895 447 HH22 ARG 64 HH22 ARG 64 -1.499 -1.945 -13.447 448 H PHE 65 HN PHE 65 -3.217 -2.181 -4.599 449 HA PHE 65 HA PHE 65 -4.225 0.145 -5.765 450 HB2 PHE 65 HB2 PHE 65 -5.434 -1.041 -4.019 451 HB3 PHE 65 HB1 PHE 65 -4.168 -0.674 -2.853 452 HD1 PHE 65 HD2 PHE 65 -6.328 1.198 -5.259 453 HD2 PHE 65 HD1 PHE 65 -4.649 0.981 -1.355 454 HE1 PHE 65 HE2 PHE 65 -7.505 3.269 -4.643 455 HE2 PHE 65 HE1 PHE 65 -5.824 3.051 -0.730 456 HZ PHE 65 HZ PHE 65 -7.253 4.198 -2.376 457 H ALA 66 HN ALA 66 -2.006 -0.092 -2.976 458 HA ALA 66 HA ALA 66 -1.436 2.637 -2.791 459 HB1 ALA 66 HB1 ALA 66 -0.672 1.630 -0.922 460 HB2 ALA 66 HB2 ALA 66 0.836 1.551 -1.832 461 HB3 ALA 66 HB3 ALA 66 -0.231 0.148 -1.771 462 H VAL 67 HN VAL 67 0.489 0.064 -4.340 463 HA VAL 67 HA VAL 67 2.538 1.601 -5.360 464 HB VAL 67 HB VAL 67 1.254 -0.757 -6.748 465 HG11 VAL 67 HG11 VAL 67 3.355 -1.064 -7.855 466 HG12 VAL 67 HG12 VAL 67 4.091 0.244 -6.929 467 HG13 VAL 67 HG13 VAL 67 2.835 0.601 -8.115 468 HG21 VAL 67 HG21 VAL 67 3.700 -1.181 -5.190 469 HG22 VAL 67 HG22 VAL 67 2.239 -2.162 -5.302 470 HG23 VAL 67 HG23 VAL 67 2.283 -0.765 -4.226 471 H ARG 68 HN ARG 68 -0.537 0.783 -6.957 472 HA ARG 68 HA ARG 68 -0.050 2.323 -9.279 473 HB2 ARG 68 HB2 ARG 68 -1.686 0.514 -9.255 474 HB3 ARG 68 HB1 ARG 68 -2.655 1.378 -8.070 475 HG2 ARG 68 HG2 ARG 68 -3.346 2.976 -9.619 476 HG3 ARG 68 HG1 ARG 68 -2.044 2.582 -10.743 477 HD2 ARG 68 HD2 ARG 68 -3.388 1.165 -11.798 478 HD3 ARG 68 HD1 ARG 68 -3.561 0.225 -10.317 479 HE ARG 68 HE ARG 68 -5.468 2.058 -11.443 480 HH11 ARG 68 HH11 ARG 68 -4.388 0.491 -8.518 481 HH12 ARG 68 HH12 ARG 68 -5.919 0.642 -7.723 482 HH21 ARG 68 HH21 ARG 68 -7.482 2.258 -10.399 483 HH22 ARG 68 HH22 ARG 68 -7.675 1.645 -8.791 484 H GLU 69 HN GLU 69 -1.378 3.068 -6.140 485 HA GLU 69 HA GLU 69 -2.660 5.492 -6.768 486 HB2 GLU 69 HB2 GLU 69 -2.839 4.147 -4.617 487 HB3 GLU 69 HB1 GLU 69 -1.308 4.871 -4.144 488 HG2 GLU 69 HG2 GLU 69 -3.730 6.487 -4.886 489 HG3 GLU 69 HG1 GLU 69 -3.376 5.969 -3.238 490 H TYR 70 HN TYR 70 0.649 4.791 -5.707 491 HA TYR 70 HA TYR 70 1.377 7.597 -5.985 492 HB2 TYR 70 HB2 TYR 70 3.173 7.141 -4.659 493 HB3 TYR 70 HB1 TYR 70 2.184 5.759 -4.204 494 HD1 TYR 70 HD1 TYR 70 2.697 3.520 -5.096 495 HD2 TYR 70 HD2 TYR 70 5.202 6.860 -5.909 496 HE1 TYR 70 HE1 TYR 70 4.490 1.994 -5.808 497 HE2 TYR 70 HE2 TYR 70 7.002 5.345 -6.624 498 HH TYR 70 HH TYR 70 7.680 2.973 -6.224 499 H ASN 71 HN ASN 71 1.356 4.781 -7.879 500 HA ASN 71 HA ASN 71 3.577 5.578 -9.563 501 HB2 ASN 71 HB2 ASN 71 3.144 3.188 -9.055 502 HB3 ASN 71 HB1 ASN 71 1.618 3.305 -9.928 503 HD21 ASN 71 HD21 ASN 71 5.092 3.352 -10.205 504 HD22 ASN 71 HD22 ASN 71 5.158 3.056 -11.906 505 H ASN 72 HN ASN 72 0.147 5.973 -9.479 506 HA ASN 72 HA ASN 72 -0.072 6.536 -12.310 507 HB2 ASN 72 HB2 ASN 72 -2.378 6.645 -11.990 508 HB3 ASN 72 HB1 ASN 72 -1.873 5.479 -10.774 509 HD21 ASN 72 HD21 ASN 72 -1.999 6.009 -8.615 510 HD22 ASN 72 HD22 ASN 72 -2.849 7.400 -8.044 511 H LYS 73 HN LYS 73 0.136 8.328 -9.305 512 HA LYS 73 HA LYS 73 -0.708 10.826 -9.984 513 HB2 LYS 73 HB2 LYS 73 1.252 11.643 -8.494 514 HB3 LYS 73 HB1 LYS 73 -0.003 10.634 -7.787 515 HG2 LYS 73 HG2 LYS 73 1.397 8.716 -7.841 516 HG3 LYS 73 HG1 LYS 73 2.610 9.555 -8.809 517 HD2 LYS 73 HD2 LYS 73 2.543 11.220 -6.735 518 HD3 LYS 73 HD1 LYS 73 2.018 9.752 -5.907 519 HE2 LYS 73 HE2 LYS 73 4.017 8.674 -6.263 520 HE3 LYS 73 HE1 LYS 73 4.396 9.625 -7.698 521 HZ1 LYS 73 HZ1 LYS 73 4.573 11.558 -6.031 522 HZ2 LYS 73 HZ2 LYS 73 5.847 10.449 -6.123 523 HZ3 LYS 73 HZ3 LYS 73 4.726 10.346 -4.860 524 H ASN 74 HN ASN 74 2.465 9.430 -10.775 525 HA ASN 74 HA ASN 74 2.714 10.879 -13.166 526 HB2 ASN 74 HB2 ASN 74 4.295 12.577 -12.660 527 HB3 ASN 74 HB1 ASN 74 3.008 12.747 -11.472 528 HD21 ASN 74 HD21 ASN 74 3.463 11.232 -9.477 529 HD22 ASN 74 HD22 ASN 74 5.044 11.410 -8.805 530 H ASN 75 HN ASN 75 4.377 9.286 -10.507 531 HA ASN 75 HA ASN 75 6.811 8.662 -11.535 532 HB2 ASN 75 HB2 ASN 75 5.903 7.982 -9.295 533 HB3 ASN 75 HB1 ASN 75 5.066 6.661 -10.100 534 HD21 ASN 75 HD21 ASN 75 8.324 8.014 -10.463 535 HD22 ASN 75 HD22 ASN 75 9.156 6.528 -10.177 536 H ALA 76 HN ALA 76 7.605 6.539 -12.415 537 HA ALA 76 HA ALA 76 6.659 6.098 -14.981 538 HB1 ALA 76 HB1 ALA 76 8.401 4.687 -15.190 539 HB2 ALA 76 HB2 ALA 76 8.002 3.804 -13.716 540 HB3 ALA 76 HB3 ALA 76 8.859 5.342 -13.618 541 H LEU 77 HN LEU 77 6.448 3.371 -15.379 542 HA LEU 77 HA LEU 77 3.938 2.695 -13.993 543 HB2 LEU 77 HB2 LEU 77 4.133 3.354 -16.629 544 HB3 LEU 77 HB1 LEU 77 4.309 1.611 -16.704 545 HG LEU 77 HG LEU 77 1.999 2.141 -17.024 546 HD11 LEU 77 HD11 LEU 77 2.189 0.152 -15.815 547 HD12 LEU 77 HD12 LEU 77 0.999 1.095 -14.916 548 HD13 LEU 77 HD13 LEU 77 2.662 0.989 -14.336 549 HD21 LEU 77 HD21 LEU 77 2.377 3.865 -14.604 550 HD22 LEU 77 HD22 LEU 77 0.778 3.277 -15.061 551 HD23 LEU 77 HD23 LEU 77 1.700 4.286 -16.177 552 H LEU 78 HN LEU 78 4.724 1.233 -12.548 553 HA LEU 78 HA LEU 78 6.115 -1.115 -13.659 554 HB2 LEU 78 HB2 LEU 78 6.731 -1.384 -11.110 555 HB3 LEU 78 HB1 LEU 78 7.679 -0.367 -12.177 556 HG LEU 78 HG LEU 78 6.357 1.600 -11.354 557 HD11 LEU 78 HD11 LEU 78 5.416 0.916 -8.933 558 HD12 LEU 78 HD12 LEU 78 5.052 -0.558 -9.830 559 HD13 LEU 78 HD13 LEU 78 4.416 0.991 -10.383 560 HD21 LEU 78 HD21 LEU 78 8.370 1.654 -10.333 561 HD22 LEU 78 HD22 LEU 78 8.257 -0.017 -9.781 562 HD23 LEU 78 HD23 LEU 78 7.409 1.258 -8.908 563 H GLU 79 HN GLU 79 5.821 -2.993 -11.833 564 HA GLU 79 HA GLU 79 3.020 -3.106 -11.011 565 HB2 GLU 79 HB2 GLU 79 4.249 -5.331 -12.636 566 HB3 GLU 79 HB1 GLU 79 2.576 -5.182 -12.116 567 HG2 GLU 79 HG2 GLU 79 3.907 -3.261 -14.007 568 HG3 GLU 79 HG1 GLU 79 2.998 -4.680 -14.527 569 H PHE 80 HN PHE 80 2.698 -4.207 -9.158 570 HA PHE 80 HA PHE 80 5.013 -5.113 -7.709 571 HB2 PHE 80 HB2 PHE 80 3.744 -4.863 -5.840 572 HB3 PHE 80 HB1 PHE 80 2.720 -3.924 -6.919 573 HD1 PHE 80 HD1 PHE 80 0.722 -5.047 -7.968 574 HD2 PHE 80 HD2 PHE 80 2.959 -6.804 -4.803 575 HE1 PHE 80 HE1 PHE 80 -1.162 -6.553 -7.477 576 HE2 PHE 80 HE2 PHE 80 1.080 -8.314 -4.307 577 HZ PHE 80 HZ PHE 80 -0.983 -8.189 -5.646 578 H VAL 81 HN VAL 81 5.357 -7.208 -6.873 579 HA VAL 81 HA VAL 81 4.111 -9.315 -8.497 580 HB VAL 81 HB VAL 81 6.047 -10.722 -7.707 581 HG11 VAL 81 HG11 VAL 81 7.610 -9.785 -9.299 582 HG12 VAL 81 HG12 VAL 81 6.774 -8.232 -9.245 583 HG13 VAL 81 HG13 VAL 81 5.966 -9.646 -9.922 584 HG21 VAL 81 HG21 VAL 81 7.931 -9.726 -6.679 585 HG22 VAL 81 HG22 VAL 81 6.533 -9.211 -5.737 586 HG23 VAL 81 HG23 VAL 81 7.277 -8.101 -6.888 587 H ARG 82 HN ARG 82 4.829 -8.360 -5.187 588 HA ARG 82 HA ARG 82 2.621 -9.579 -4.051 589 HB2 ARG 82 HB2 ARG 82 3.673 -11.498 -2.864 590 HB3 ARG 82 HB1 ARG 82 3.538 -11.725 -4.603 591 HG2 ARG 82 HG2 ARG 82 5.941 -10.783 -4.654 592 HG3 ARG 82 HG1 ARG 82 5.959 -11.220 -2.947 593 HD2 ARG 82 HD2 ARG 82 5.825 -13.472 -3.379 594 HD3 ARG 82 HD1 ARG 82 5.013 -13.233 -4.926 595 HE ARG 82 HE ARG 82 7.057 -13.246 -5.926 596 HH11 ARG 82 HH11 ARG 82 7.500 -12.440 -2.560 597 HH12 ARG 82 HH12 ARG 82 9.229 -12.434 -2.660 598 HH21 ARG 82 HH21 ARG 82 9.331 -13.239 -6.060 599 HH22 ARG 82 HH22 ARG 82 10.269 -12.887 -4.647 600 H VAL 83 HN VAL 83 2.730 -9.659 -1.644 601 HA VAL 83 HA VAL 83 4.342 -7.436 -0.702 602 HB VAL 83 HB VAL 83 2.951 -7.381 1.226 603 HG11 VAL 83 HG11 VAL 83 1.333 -6.433 0.045 604 HG12 VAL 83 HG12 VAL 83 0.669 -8.015 -0.360 605 HG13 VAL 83 HG13 VAL 83 1.896 -7.283 -1.393 606 HG21 VAL 83 HG21 VAL 83 2.368 -10.191 0.500 607 HG22 VAL 83 HG22 VAL 83 1.056 -9.266 1.231 608 HG23 VAL 83 HG23 VAL 83 2.588 -9.449 2.085 609 H VAL 84 HN VAL 84 5.847 -7.531 0.932 610 HA VAL 84 HA VAL 84 6.677 -10.232 1.768 611 HB VAL 84 HB VAL 84 8.304 -9.236 0.243 612 HG11 VAL 84 HG11 VAL 84 9.453 -7.202 1.840 613 HG12 VAL 84 HG12 VAL 84 7.727 -6.863 1.709 614 HG13 VAL 84 HG13 VAL 84 8.702 -7.056 0.252 615 HG21 VAL 84 HG21 VAL 84 10.278 -9.543 1.588 616 HG22 VAL 84 HG22 VAL 84 9.047 -10.695 2.106 617 HG23 VAL 84 HG23 VAL 84 9.363 -9.250 3.067 618 H LYS 85 HN LYS 85 5.595 -7.182 2.823 619 HA LYS 85 HA LYS 85 6.032 -7.971 5.589 620 HB2 LYS 85 HB2 LYS 85 6.761 -5.165 4.805 621 HB3 LYS 85 HB1 LYS 85 7.157 -6.035 6.280 622 HG2 LYS 85 HG2 LYS 85 8.605 -7.537 4.872 623 HG3 LYS 85 HG1 LYS 85 8.349 -6.399 3.548 624 HD2 LYS 85 HD2 LYS 85 9.107 -4.653 5.389 625 HD3 LYS 85 HD1 LYS 85 9.901 -6.077 6.064 626 HE2 LYS 85 HE2 LYS 85 10.666 -6.357 3.531 627 HE3 LYS 85 HE1 LYS 85 10.439 -4.609 3.542 628 HZ1 LYS 85 HZ1 LYS 85 12.724 -5.536 4.155 629 HZ2 LYS 85 HZ2 LYS 85 12.027 -5.944 5.641 630 HZ3 LYS 85 HZ3 LYS 85 12.073 -4.328 5.144 631 H ALA 86 HN ALA 86 4.717 -6.787 7.105 632 HA ALA 86 HA ALA 86 2.724 -4.954 6.116 633 HB1 ALA 86 HB1 ALA 86 2.123 -7.807 6.465 634 HB2 ALA 86 HB2 ALA 86 1.301 -6.580 5.502 635 HB3 ALA 86 HB3 ALA 86 0.982 -6.703 7.232 636 H LYS 87 HN LYS 87 2.276 -3.543 7.674 637 HA LYS 87 HA LYS 87 2.460 -4.407 10.477 638 HB2 LYS 87 HB2 LYS 87 3.707 -1.942 9.256 639 HB3 LYS 87 HB1 LYS 87 3.491 -2.159 10.987 640 HG2 LYS 87 HG2 LYS 87 5.616 -2.911 10.809 641 HG3 LYS 87 HG1 LYS 87 4.775 -4.426 10.471 642 HD2 LYS 87 HD2 LYS 87 4.949 -3.929 8.049 643 HD3 LYS 87 HD1 LYS 87 5.891 -2.490 8.443 644 HE2 LYS 87 HE2 LYS 87 7.430 -4.216 7.873 645 HE3 LYS 87 HE1 LYS 87 7.519 -3.982 9.619 646 HZ1 LYS 87 HZ1 LYS 87 5.632 -5.989 8.694 647 HZ2 LYS 87 HZ2 LYS 87 6.678 -6.017 10.022 648 HZ3 LYS 87 HZ3 LYS 87 7.268 -6.362 8.475 649 H GLU 88 HN GLU 88 1.268 -3.056 11.974 650 HA GLU 88 HA GLU 88 -0.804 -1.401 10.703 651 HB2 GLU 88 HB2 GLU 88 -2.504 -2.369 12.153 652 HB3 GLU 88 HB1 GLU 88 -1.743 -3.623 11.184 653 HG2 GLU 88 HG2 GLU 88 -0.211 -3.639 13.443 654 HG3 GLU 88 HG1 GLU 88 -1.812 -3.264 14.078 655 H GLN 89 HN GLN 89 -1.510 0.359 11.863 656 HA GLN 89 HA GLN 89 -0.658 0.772 14.593 657 HB2 GLN 89 HB2 GLN 89 0.399 3.017 13.933 658 HB3 GLN 89 HB1 GLN 89 1.343 1.559 13.664 659 HG2 GLN 89 HG2 GLN 89 -0.130 1.982 11.314 660 HG3 GLN 89 HG1 GLN 89 0.507 3.554 11.793 661 HE21 GLN 89 HE21 GLN 89 1.441 0.192 11.250 662 HE22 GLN 89 HE22 GLN 89 3.048 0.537 10.717 663 H VAL 90 HN VAL 90 -1.649 2.627 15.576 664 HA VAL 90 HA VAL 90 -4.086 3.452 14.153 665 HB VAL 90 HB VAL 90 -3.577 3.622 17.122 666 HG11 VAL 90 HG11 VAL 90 -5.966 4.041 15.362 667 HG12 VAL 90 HG12 VAL 90 -5.308 5.094 16.615 668 HG13 VAL 90 HG13 VAL 90 -6.152 3.611 17.062 669 HG21 VAL 90 HG21 VAL 90 -5.075 1.616 17.247 670 HG22 VAL 90 HG22 VAL 90 -3.479 1.305 16.565 671 HG23 VAL 90 HG23 VAL 90 -4.880 1.441 15.503 672 H VAL 91 HN VAL 91 -4.286 5.475 13.501 673 HA VAL 91 HA VAL 91 -3.252 7.694 15.007 674 HB VAL 91 HB VAL 91 -1.977 8.609 13.001 675 HG11 VAL 91 HG11 VAL 91 -0.694 6.175 14.207 676 HG12 VAL 91 HG12 VAL 91 -1.007 7.637 15.143 677 HG13 VAL 91 HG13 VAL 91 0.061 7.699 13.741 678 HG21 VAL 91 HG21 VAL 91 -2.316 5.747 12.164 679 HG22 VAL 91 HG22 VAL 91 -0.941 6.709 11.620 680 HG23 VAL 91 HG23 VAL 91 -2.583 7.216 11.225 681 H SER 92 HN SER 92 -5.308 8.526 15.030 682 HA SER 92 HA SER 92 -7.127 9.684 14.303 683 HB2 SER 92 HB2 SER 92 -5.553 10.109 11.752 684 HB3 SER 92 HB1 SER 92 -6.895 11.087 12.346 685 HG SER 92 HG SER 92 -4.955 12.096 12.858 686 H GLY 93 HN GLY 93 -6.758 6.794 13.710 687 HA2 GLY 93 HA2 GLY 93 -9.055 5.970 12.702 688 HA3 GLY 93 HA1 GLY 93 -8.239 6.443 11.218 689 H MET 94 HN MET 94 -7.087 4.933 10.215 690 HA MET 94 HA MET 94 -5.769 2.840 11.755 691 HB2 MET 94 HB2 MET 94 -7.861 2.301 9.646 692 HB3 MET 94 HB1 MET 94 -6.706 1.091 10.186 693 HG2 MET 94 HG2 MET 94 -8.521 2.517 12.098 694 HG3 MET 94 HG1 MET 94 -9.021 1.064 11.234 695 HE1 MET 94 HE1 MET 94 -7.652 0.958 15.205 696 HE2 MET 94 HE2 MET 94 -8.499 2.168 14.242 697 HE3 MET 94 HE3 MET 94 -6.750 2.269 14.444 698 H MET 95 HN MET 95 -3.739 2.891 11.066 699 HA MET 95 HA MET 95 -3.234 3.401 8.208 700 HB2 MET 95 HB2 MET 95 -2.299 4.847 10.328 701 HB3 MET 95 HB1 MET 95 -0.978 3.715 10.073 702 HG2 MET 95 HG2 MET 95 -0.703 4.441 7.814 703 HG3 MET 95 HG1 MET 95 -2.158 5.432 7.905 704 HE1 MET 95 HE1 MET 95 -1.640 8.410 9.335 705 HE2 MET 95 HE2 MET 95 -2.204 7.452 7.966 706 HE3 MET 95 HE3 MET 95 -0.759 8.450 7.808 707 H HIS 96 HN HIS 96 -2.139 1.924 7.048 708 HA HIS 96 HA HIS 96 -0.962 -0.353 8.503 709 HB2 HIS 96 HB2 HIS 96 -3.090 -0.923 7.339 710 HB3 HIS 96 HB1 HIS 96 -2.342 -0.459 5.814 711 HD1 HIS 96 HD1 HIS 96 -3.214 -3.384 7.410 712 HD2 HIS 96 HD2 HIS 96 0.371 -2.070 5.771 713 HE1 HIS 96 HE1 HIS 96 -1.882 -5.467 6.951 714 HE2 HIS 96 HE2 HIS 96 0.248 -4.652 5.880 715 H TYR 97 HN TYR 97 1.131 -0.632 8.171 716 HA TYR 97 HA TYR 97 2.370 0.629 5.820 717 HB2 TYR 97 HB2 TYR 97 3.451 -0.096 8.541 718 HB3 TYR 97 HB1 TYR 97 4.510 0.297 7.190 719 HD1 TYR 97 HD2 TYR 97 1.330 1.786 8.491 720 HD2 TYR 97 HD1 TYR 97 5.409 2.401 7.448 721 HE1 TYR 97 HE2 TYR 97 1.096 4.177 9.010 722 HE2 TYR 97 HE1 TYR 97 5.186 4.794 7.965 723 HH TYR 97 HH TYR 97 3.356 6.490 8.086 724 H LEU 98 HN LEU 98 2.141 -0.965 4.285 725 HA LEU 98 HA LEU 98 3.370 -3.570 4.906 726 HB2 LEU 98 HB2 LEU 98 1.991 -4.552 3.208 727 HB3 LEU 98 HB1 LEU 98 0.974 -3.646 4.312 728 HG LEU 98 HG LEU 98 1.820 -2.059 2.013 729 HD11 LEU 98 HD11 LEU 98 1.749 -4.200 0.872 730 HD12 LEU 98 HD12 LEU 98 0.384 -3.195 0.388 731 HD13 LEU 98 HD13 LEU 98 0.144 -4.517 1.531 732 HD21 LEU 98 HD21 LEU 98 0.107 -1.211 3.378 733 HD22 LEU 98 HD22 LEU 98 -0.767 -2.743 3.377 734 HD23 LEU 98 HD23 LEU 98 -0.703 -1.763 1.912 735 H THR 99 HN THR 99 4.921 -4.412 3.584 736 HA THR 99 HA THR 99 5.947 -2.616 1.487 737 HB THR 99 HB THR 99 7.628 -4.738 2.763 738 HG1 THR 99 HG1 THR 99 8.226 -3.189 4.350 739 HG21 THR 99 HG21 THR 99 8.273 -3.085 0.814 740 HG22 THR 99 HG22 THR 99 9.427 -3.546 2.065 741 HG23 THR 99 HG23 THR 99 8.586 -1.999 2.168 742 H VAL 100 HN VAL 100 6.293 -3.410 -0.540 743 HA VAL 100 HA VAL 100 6.009 -6.292 -0.968 744 HB VAL 100 HB VAL 100 4.349 -6.122 -2.618 745 HG11 VAL 100 HG11 VAL 100 2.485 -5.374 -1.446 746 HG12 VAL 100 HG12 VAL 100 3.366 -4.039 -0.704 747 HG13 VAL 100 HG13 VAL 100 3.663 -5.694 -0.173 748 HG21 VAL 100 HG21 VAL 100 3.530 -3.522 -2.944 749 HG22 VAL 100 HG22 VAL 100 4.546 -4.429 -4.065 750 HG23 VAL 100 HG23 VAL 100 5.286 -3.370 -2.864 751 H GLU 101 HN GLU 101 6.773 -7.014 -3.064 752 HA GLU 101 HA GLU 101 9.037 -5.419 -3.954 753 HB2 GLU 101 HB2 GLU 101 8.177 -8.264 -4.427 754 HB3 GLU 101 HB1 GLU 101 9.466 -7.527 -5.369 755 HG2 GLU 101 HG2 GLU 101 10.879 -7.350 -3.544 756 HG3 GLU 101 HG1 GLU 101 9.558 -7.477 -2.384 757 H VAL 102 HN VAL 102 9.154 -4.366 -5.850 758 HA VAL 102 HA VAL 102 6.917 -4.723 -7.736 759 HB VAL 102 HB VAL 102 8.455 -2.164 -7.315 760 HG11 VAL 102 HG11 VAL 102 6.271 -3.041 -9.095 761 HG12 VAL 102 HG12 VAL 102 7.522 -1.824 -9.344 762 HG13 VAL 102 HG13 VAL 102 6.099 -1.440 -8.375 763 HG21 VAL 102 HG21 VAL 102 7.242 -2.729 -5.273 764 HG22 VAL 102 HG22 VAL 102 5.759 -2.938 -6.204 765 HG23 VAL 102 HG23 VAL 102 6.508 -1.346 -6.084 766 H ASN 103 HN ASN 103 7.350 -4.484 -9.959 767 HA ASN 103 HA ASN 103 10.193 -4.699 -10.698 768 HB2 ASN 103 HB2 ASN 103 8.962 -6.881 -10.830 769 HB3 ASN 103 HB1 ASN 103 7.912 -6.158 -12.045 770 HD21 ASN 103 HD21 ASN 103 10.379 -8.173 -11.726 771 HD22 ASN 103 HD22 ASN 103 11.223 -7.897 -13.208 772 H ASP 104 HN ASP 104 10.837 -3.679 -12.587 773 HA ASP 104 HA ASP 104 8.796 -2.104 -13.999 774 HB2 ASP 104 HB2 ASP 104 10.213 -0.813 -12.250 775 HB3 ASP 104 HB1 ASP 104 11.515 -0.959 -13.427 776 H ALA 105 HN ALA 105 8.884 -3.620 -15.696 777 HA ALA 105 HA ALA 105 9.632 -4.553 -17.636 778 HB1 ALA 105 HB1 ALA 105 11.158 -3.022 -18.988 779 HB2 ALA 105 HB2 ALA 105 11.026 -1.894 -17.639 780 HB3 ALA 105 HB3 ALA 105 9.581 -2.383 -18.524 781 H GLY 106 HN GLY 106 11.080 -5.251 -15.196 782 HA2 GLY 106 HA2 GLY 106 12.795 -7.067 -15.556 783 HA3 GLY 106 HA1 GLY 106 13.746 -5.814 -16.338 784 H LYS 107 HN LYS 107 13.174 -3.708 -14.522 785 HA LYS 107 HA LYS 107 15.120 -4.270 -12.525 786 HB2 LYS 107 HB2 LYS 107 13.418 -1.939 -13.258 787 HB3 LYS 107 HB1 LYS 107 14.112 -1.965 -11.643 788 HG2 LYS 107 HG2 LYS 107 16.346 -2.165 -12.592 789 HG3 LYS 107 HG1 LYS 107 15.660 -2.176 -14.218 790 HD2 LYS 107 HD2 LYS 107 16.385 0.038 -13.854 791 HD3 LYS 107 HD1 LYS 107 14.634 0.075 -13.640 792 HE2 LYS 107 HE2 LYS 107 15.414 -0.445 -11.114 793 HE3 LYS 107 HE1 LYS 107 16.799 0.488 -11.679 794 HZ1 LYS 107 HZ1 LYS 107 15.416 2.123 -10.900 795 HZ2 LYS 107 HZ2 LYS 107 13.999 1.325 -11.368 796 HZ3 LYS 107 HZ3 LYS 107 14.962 2.090 -12.530 797 H LYS 108 HN LYS 108 14.702 -5.574 -10.867 798 HA LYS 108 HA LYS 108 12.049 -5.469 -9.608 799 HB2 LYS 108 HB2 LYS 108 12.741 -7.677 -10.398 800 HB3 LYS 108 HB1 LYS 108 14.211 -7.576 -9.440 801 HG2 LYS 108 HG2 LYS 108 12.919 -8.863 -8.074 802 HG3 LYS 108 HG1 LYS 108 12.517 -7.259 -7.459 803 HD2 LYS 108 HD2 LYS 108 10.525 -7.238 -8.923 804 HD3 LYS 108 HD1 LYS 108 10.914 -8.881 -9.434 805 HE2 LYS 108 HE2 LYS 108 10.793 -8.467 -6.525 806 HE3 LYS 108 HE1 LYS 108 9.262 -8.262 -7.375 807 HZ1 LYS 108 HZ1 LYS 108 9.333 -10.445 -8.166 808 HZ2 LYS 108 HZ2 LYS 108 9.827 -10.575 -6.554 809 HZ3 LYS 108 HZ3 LYS 108 10.973 -10.638 -7.796 810 H LYS 109 HN LYS 109 11.795 -4.914 -7.501 811 HA LYS 109 HA LYS 109 13.999 -4.818 -5.667 812 HB2 LYS 109 HB2 LYS 109 13.026 -2.348 -7.009 813 HB3 LYS 109 HB1 LYS 109 13.384 -2.248 -5.290 814 HG2 LYS 109 HG2 LYS 109 15.624 -3.413 -6.025 815 HG3 LYS 109 HG1 LYS 109 15.212 -2.705 -7.588 816 HD2 LYS 109 HD2 LYS 109 14.892 -0.514 -6.314 817 HD3 LYS 109 HD1 LYS 109 15.719 -1.310 -4.974 818 HE2 LYS 109 HE2 LYS 109 17.603 -1.802 -6.556 819 HE3 LYS 109 HE1 LYS 109 16.792 -0.776 -7.739 820 HZ1 LYS 109 HZ1 LYS 109 18.482 0.447 -6.533 821 HZ2 LYS 109 HZ2 LYS 109 17.738 0.084 -5.058 822 HZ3 LYS 109 HZ3 LYS 109 16.948 1.070 -6.182 823 H LEU 110 HN LEU 110 13.236 -3.597 -3.585 824 HA LEU 110 HA LEU 110 10.440 -4.379 -3.086 825 HB2 LEU 110 HB2 LEU 110 11.840 -5.844 -1.853 826 HB3 LEU 110 HB1 LEU 110 12.875 -4.531 -1.327 827 HG LEU 110 HG LEU 110 11.205 -3.715 0.188 828 HD11 LEU 110 HD11 LEU 110 9.168 -3.947 -0.917 829 HD12 LEU 110 HD12 LEU 110 9.054 -5.096 0.415 830 HD13 LEU 110 HD13 LEU 110 9.416 -5.667 -1.214 831 HD21 LEU 110 HD21 LEU 110 10.963 -6.639 0.656 832 HD22 LEU 110 HD22 LEU 110 11.389 -5.344 1.775 833 HD23 LEU 110 HD23 LEU 110 12.578 -5.932 0.613 834 H TYR 111 HN TYR 111 9.113 -2.758 -2.642 835 HA TYR 111 HA TYR 111 10.235 -0.313 -1.440 836 HB2 TYR 111 HB2 TYR 111 7.854 -0.355 -3.289 837 HB3 TYR 111 HB1 TYR 111 8.790 1.037 -2.756 838 HD1 TYR 111 HD1 TYR 111 11.557 -0.153 -3.213 839 HD2 TYR 111 HD2 TYR 111 8.052 -0.091 -5.628 840 HE1 TYR 111 HE1 TYR 111 12.950 -0.317 -5.231 841 HE2 TYR 111 HE2 TYR 111 9.437 -0.258 -7.651 842 HH TYR 111 HH TYR 111 12.681 0.339 -7.714 843 H GLU 112 HN GLU 112 9.087 0.673 0.182 844 HA GLU 112 HA GLU 112 7.014 -0.966 1.420 845 HB2 GLU 112 HB2 GLU 112 9.143 0.154 2.553 846 HB3 GLU 112 HB1 GLU 112 8.044 1.519 2.703 847 HG2 GLU 112 HG2 GLU 112 6.511 -0.560 3.597 848 HG3 GLU 112 HG1 GLU 112 8.121 -1.003 4.164 849 H ALA 113 HN ALA 113 4.952 -0.289 1.809 850 HA ALA 113 HA ALA 113 4.193 2.384 0.839 851 HB1 ALA 113 HB1 ALA 113 2.246 0.199 0.422 852 HB2 ALA 113 HB2 ALA 113 3.664 0.209 -0.628 853 HB3 ALA 113 HB3 ALA 113 2.599 1.613 -0.571 854 H LYS 114 HN LYS 114 2.993 3.514 2.231 855 HA LYS 114 HA LYS 114 1.695 2.048 4.433 856 HB2 LYS 114 HB2 LYS 114 2.000 4.088 5.803 857 HB3 LYS 114 HB1 LYS 114 3.522 3.371 5.291 858 HG2 LYS 114 HG2 LYS 114 3.273 5.080 3.315 859 HG3 LYS 114 HG1 LYS 114 2.262 5.932 4.481 860 HD2 LYS 114 HD2 LYS 114 4.392 6.818 4.842 861 HD3 LYS 114 HD1 LYS 114 4.223 5.605 6.109 862 HE2 LYS 114 HE2 LYS 114 5.748 4.194 5.157 863 HE3 LYS 114 HE1 LYS 114 5.412 4.761 3.522 864 HZ1 LYS 114 HZ1 LYS 114 6.461 6.953 4.616 865 HZ2 LYS 114 HZ2 LYS 114 7.372 5.795 3.787 866 HZ3 LYS 114 HZ3 LYS 114 7.303 5.764 5.477 867 H VAL 115 HN VAL 115 -0.436 2.039 4.273 868 HA VAL 115 HA VAL 115 -1.767 4.277 2.906 869 HB VAL 115 HB VAL 115 -2.933 1.557 3.501 870 HG11 VAL 115 HG11 VAL 115 -4.606 2.180 1.845 871 HG12 VAL 115 HG12 VAL 115 -3.813 3.737 1.610 872 HG13 VAL 115 HG13 VAL 115 -4.563 3.354 3.160 873 HG21 VAL 115 HG21 VAL 115 -1.425 2.566 1.108 874 HG22 VAL 115 HG22 VAL 115 -2.582 1.240 0.987 875 HG23 VAL 115 HG23 VAL 115 -1.169 1.085 2.031 876 H TRP 116 HN TRP 116 -3.640 5.211 3.796 877 HA TRP 116 HA TRP 116 -4.061 4.675 6.662 878 HB2 TRP 116 HB2 TRP 116 -2.812 6.776 6.328 879 HB3 TRP 116 HB1 TRP 116 -4.106 7.376 5.302 880 HD1 TRP 116 HD1 TRP 116 -4.225 5.772 8.844 881 HE1 TRP 116 HE1 TRP 116 -5.581 7.343 10.368 882 HE3 TRP 116 HE3 TRP 116 -5.189 9.516 5.499 883 HZ2 TRP 116 HZ2 TRP 116 -6.885 9.840 10.175 884 HZ3 TRP 116 HZ3 TRP 116 -6.498 11.460 6.248 885 HH2 TRP 116 HH2 TRP 116 -7.330 11.616 8.538 886 H GLU 117 HN GLU 117 -6.145 4.736 7.419 887 HA GLU 117 HA GLU 117 -8.316 5.538 5.672 888 HB2 GLU 117 HB2 GLU 117 -7.900 3.218 4.985 889 HB3 GLU 117 HB1 GLU 117 -8.059 2.689 6.654 890 HG2 GLU 117 HG2 GLU 117 -10.353 4.209 5.686 891 HG3 GLU 117 HG1 GLU 117 -10.056 2.718 4.793 892 H GLN 118 HN GLN 118 -9.797 6.546 6.867 893 HA GLN 118 HA GLN 118 -9.793 6.113 9.762 894 HB2 GLN 118 HB2 GLN 118 -11.309 8.307 8.395 895 HB3 GLN 118 HB1 GLN 118 -10.627 8.270 10.012 896 HG2 GLN 118 HG2 GLN 118 -9.162 9.678 8.995 897 HG3 GLN 118 HG1 GLN 118 -8.356 8.137 8.708 898 HE21 GLN 118 HE21 GLN 118 -7.604 7.934 6.738 899 HE22 GLN 118 HE22 GLN 118 -8.292 8.605 5.303 900 H VAL 119 HN VAL 119 -12.073 6.559 10.754 901 HA VAL 119 HA VAL 119 -14.013 4.897 9.282 902 HB VAL 119 HB VAL 119 -13.162 3.804 11.316 903 HG11 VAL 119 HG11 VAL 119 -13.718 4.710 13.526 904 HG12 VAL 119 HG12 VAL 119 -14.356 6.166 12.763 905 HG13 VAL 119 HG13 VAL 119 -12.640 5.782 12.631 906 HG21 VAL 119 HG21 VAL 119 -15.209 2.913 11.056 907 HG22 VAL 119 HG22 VAL 119 -15.982 4.487 10.872 908 HG23 VAL 119 HG23 VAL 119 -15.614 3.869 12.482 909 H TRP 120 HN TRP 120 -13.575 7.711 11.354 910 HA TRP 120 HA TRP 120 -16.370 8.444 11.216 911 HB2 TRP 120 HB2 TRP 120 -15.614 10.475 12.465 912 HB3 TRP 120 HB1 TRP 120 -15.203 8.957 13.258 913 HD1 TRP 120 HD1 TRP 120 -13.582 11.883 11.380 914 HE1 TRP 120 HE1 TRP 120 -11.060 11.885 11.893 915 HE3 TRP 120 HE3 TRP 120 -13.276 7.479 13.957 916 HZ2 TRP 120 HZ2 TRP 120 -9.188 10.236 13.215 917 HZ3 TRP 120 HZ3 TRP 120 -11.083 6.763 14.812 918 HH2 TRP 120 HH2 TRP 120 -9.082 8.113 14.446 919 H MET 121 HN MET 121 -13.507 9.030 9.405 920 HA MET 121 HA MET 121 -14.661 11.380 8.098 921 HB2 MET 121 HB2 MET 121 -12.310 11.517 8.799 922 HB3 MET 121 HB1 MET 121 -11.929 10.117 7.807 923 HG2 MET 121 HG2 MET 121 -11.440 11.521 6.171 924 HG3 MET 121 HG1 MET 121 -13.161 11.884 6.060 925 HE1 MET 121 HE1 MET 121 -10.056 14.886 6.604 926 HE2 MET 121 HE2 MET 121 -10.401 13.637 5.409 927 HE3 MET 121 HE3 MET 121 -9.635 13.207 6.938 928 H ASN 122 HN ASN 122 -14.044 8.013 7.617 929 HA ASN 122 HA ASN 122 -14.565 6.571 5.948 930 HB2 ASN 122 HB2 ASN 122 -16.400 8.863 5.422 931 HB3 ASN 122 HB1 ASN 122 -16.246 7.626 4.179 932 HD21 ASN 122 HD21 ASN 122 -16.351 7.575 7.727 933 HD22 ASN 122 HD22 ASN 122 -17.634 6.423 7.840 934 H PHE 123 HN PHE 123 -12.176 7.934 5.690 935 HA PHE 123 HA PHE 123 -11.956 8.168 2.764 936 HB2 PHE 123 HB2 PHE 123 -11.554 10.249 4.560 937 HB3 PHE 123 HB1 PHE 123 -9.925 9.678 4.214 938 HD1 PHE 123 HD2 PHE 123 -9.722 9.065 1.528 939 HD2 PHE 123 HD1 PHE 123 -12.185 12.046 3.304 940 HE1 PHE 123 HE2 PHE 123 -9.735 10.312 -0.593 941 HE2 PHE 123 HE1 PHE 123 -12.203 13.298 1.186 942 HZ PHE 123 HZ PHE 123 -10.977 12.431 -0.766 943 H ARG 124 HN ARG 124 -10.238 7.159 1.818 944 HA ARG 124 HA ARG 124 -8.134 6.031 3.481 945 HB2 ARG 124 HB2 ARG 124 -8.796 3.899 1.787 946 HB3 ARG 124 HB1 ARG 124 -8.995 3.970 3.530 947 HG2 ARG 124 HG2 ARG 124 -11.056 3.285 2.488 948 HG3 ARG 124 HG1 ARG 124 -11.257 4.879 3.219 949 HD2 ARG 124 HD2 ARG 124 -12.135 5.449 1.236 950 HD3 ARG 124 HD1 ARG 124 -10.457 5.530 0.701 951 HE ARG 124 HE ARG 124 -11.580 2.907 0.456 952 HH11 ARG 124 HH11 ARG 124 -11.312 6.028 -1.084 953 HH12 ARG 124 HH12 ARG 124 -11.581 5.404 -2.677 954 HH21 ARG 124 HH21 ARG 124 -11.932 2.085 -1.639 955 HH22 ARG 124 HH22 ARG 124 -11.933 3.166 -2.992 956 H GLN 125 HN GLN 125 -6.224 6.203 2.498 957 HA GLN 125 HA GLN 125 -5.913 5.837 -0.329 958 HB2 GLN 125 HB2 GLN 125 -5.126 8.072 -0.875 959 HB3 GLN 125 HB1 GLN 125 -6.781 8.140 -0.285 960 HG2 GLN 125 HG2 GLN 125 -4.408 8.660 1.478 961 HG3 GLN 125 HG1 GLN 125 -5.208 9.927 0.548 962 HE21 GLN 125 HE21 GLN 125 -4.995 9.915 3.341 963 HE22 GLN 125 HE22 GLN 125 -6.583 9.774 4.007 964 H LEU 126 HN LEU 126 -3.582 6.454 -0.988 965 HA LEU 126 HA LEU 126 -1.823 5.164 0.885 966 HB2 LEU 126 HB2 LEU 126 -1.584 4.655 -1.454 967 HB3 LEU 126 HB1 LEU 126 -1.373 6.349 -1.851 968 HG LEU 126 HG LEU 126 0.613 5.321 0.051 969 HD11 LEU 126 HD11 LEU 126 1.763 4.385 -2.210 970 HD12 LEU 126 HD12 LEU 126 0.085 3.915 -2.473 971 HD13 LEU 126 HD13 LEU 126 0.934 3.375 -1.026 972 HD21 LEU 126 HD21 LEU 126 2.055 6.718 -1.117 973 HD22 LEU 126 HD22 LEU 126 0.506 7.552 -1.242 974 HD23 LEU 126 HD23 LEU 126 1.114 6.611 -2.604 975 H GLN 127 HN GLN 127 -0.301 6.065 2.159 976 HA GLN 127 HA GLN 127 -0.324 8.964 2.406 977 HB2 GLN 127 HB2 GLN 127 0.300 6.693 4.159 978 HB3 GLN 127 HB1 GLN 127 1.394 8.056 4.344 979 HG2 GLN 127 HG2 GLN 127 -0.606 8.016 5.869 980 HG3 GLN 127 HG1 GLN 127 -0.349 9.506 4.964 981 HE21 GLN 127 HE21 GLN 127 -1.701 6.494 3.747 982 HE22 GLN 127 HE22 GLN 127 -3.272 7.124 3.403 983 H GLU 128 HN GLU 128 2.220 6.453 2.366 984 HA GLU 128 HA GLU 128 3.817 8.151 0.616 985 HB2 GLU 128 HB2 GLU 128 5.157 7.009 3.042 986 HB3 GLU 128 HB1 GLU 128 5.687 8.319 1.997 987 HG2 GLU 128 HG2 GLU 128 3.278 8.539 3.775 988 HG3 GLU 128 HG1 GLU 128 4.905 8.957 4.309 989 H PHE 129 HN PHE 129 5.621 7.060 -0.350 990 HA PHE 129 HA PHE 129 5.587 4.134 -0.163 991 HB2 PHE 129 HB2 PHE 129 4.192 5.142 -2.133 992 HB3 PHE 129 HB1 PHE 129 5.767 5.450 -2.855 993 HD1 PHE 129 HD2 PHE 129 7.194 3.616 -3.558 994 HD2 PHE 129 HD1 PHE 129 3.344 2.905 -1.892 995 HE1 PHE 129 HE2 PHE 129 7.260 1.307 -4.403 996 HE2 PHE 129 HE1 PHE 129 3.403 0.593 -2.732 997 HZ PHE 129 HZ PHE 129 5.363 -0.209 -3.990 998 H THR 130 HN THR 130 7.589 3.723 0.550 999 HA THR 130 HA THR 130 9.830 5.297 -0.493 1000 HB THR 130 HB THR 130 11.089 4.560 1.380 1001 HG1 THR 130 HG1 THR 130 10.758 2.716 2.321 1002 HG21 THR 130 HG21 THR 130 8.799 4.590 3.077 1003 HG22 THR 130 HG22 THR 130 8.598 5.785 1.795 1004 HG23 THR 130 HG23 THR 130 10.024 5.835 2.831 1005 H TYR 131 HN TYR 131 11.666 4.336 -1.396 1006 HA TYR 131 HA TYR 131 11.181 1.660 -2.510 1007 HB2 TYR 131 HB2 TYR 131 12.931 2.337 -4.197 1008 HB3 TYR 131 HB1 TYR 131 11.442 3.275 -4.250 1009 HD1 TYR 131 HD1 TYR 131 11.411 5.599 -3.434 1010 HD2 TYR 131 HD2 TYR 131 15.020 3.350 -3.586 1011 HE1 TYR 131 HE1 TYR 131 12.709 7.676 -3.208 1012 HE2 TYR 131 HE2 TYR 131 16.327 5.420 -3.359 1013 HH TYR 131 HH TYR 131 15.718 8.060 -3.989 1014 H LEU 132 HN LEU 132 12.151 0.119 -1.365 1015 HA LEU 132 HA LEU 132 14.640 0.665 0.032 1016 HB2 LEU 132 HB2 LEU 132 13.358 -2.029 -0.010 1017 HB3 LEU 132 HB1 LEU 132 14.248 -1.242 1.279 1018 HG LEU 132 HG LEU 132 11.410 -0.677 0.426 1019 HD11 LEU 132 HD11 LEU 132 10.781 -1.537 2.534 1020 HD12 LEU 132 HD12 LEU 132 12.450 -1.576 3.100 1021 HD13 LEU 132 HD13 LEU 132 11.917 -2.699 1.848 1022 HD21 LEU 132 HD21 LEU 132 13.270 0.826 2.231 1023 HD22 LEU 132 HD22 LEU 132 11.528 0.842 2.508 1024 HD23 LEU 132 HD23 LEU 132 12.184 1.442 0.985 1025 H GLY 133 HN GLY 133 15.952 -1.701 0.016 1026 HA2 GLY 133 HA2 GLY 133 16.861 -1.855 -2.778 1027 HA3 GLY 133 HA1 GLY 133 17.826 -2.262 -1.367 1028 H ASP 134 HN ASP 134 15.181 -3.312 -3.426 1029 HA ASP 134 HA ASP 134 14.196 -5.338 -3.770 1030 HB2 ASP 134 HB2 ASP 134 15.719 -7.128 -4.287 1031 HB3 ASP 134 HB1 ASP 134 16.446 -5.615 -4.815 1032 H ALA 135 HN ALA 135 14.370 -7.827 -2.903 1033 HA ALA 135 HA ALA 135 14.274 -7.687 0.037 1034 HB1 ALA 135 HB1 ALA 135 11.995 -7.568 -0.852 1035 HB2 ALA 135 HB2 ALA 135 12.265 -9.065 0.040 1036 HB3 ALA 135 HB3 ALA 135 12.257 -9.079 -1.723 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 9.501 0.453 16.200 2 H2 MET 1 HT2 MET 1 9.641 2.162 16.258 3 H3 MET 1 HT3 MET 1 10.645 1.183 17.247 4 HA MET 1 HA MET 1 11.691 0.270 15.320 5 HB2 MET 1 HB2 MET 1 9.431 0.958 14.032 6 HB3 MET 1 HB1 MET 1 10.438 2.329 13.586 7 HG2 MET 1 HG2 MET 1 11.757 1.100 12.242 8 HG3 MET 1 HG1 MET 1 11.679 -0.321 13.281 9 HE1 MET 1 HE1 MET 1 9.813 -2.651 11.467 10 HE2 MET 1 HE2 MET 1 9.033 -2.113 12.955 11 HE3 MET 1 HE3 MET 1 10.793 -2.166 12.851 12 H ALA 2 HN ALA 2 13.189 1.687 13.811 13 HA ALA 2 HA ALA 2 14.489 3.553 15.548 14 HB1 ALA 2 HB1 ALA 2 15.865 3.859 13.292 15 HB2 ALA 2 HB2 ALA 2 15.060 2.338 12.906 16 HB3 ALA 2 HB3 ALA 2 16.075 2.459 14.343 17 H ASP 3 HN ASP 3 13.061 3.867 12.292 18 HA ASP 3 HA ASP 3 11.705 6.250 12.790 19 HB2 ASP 3 HB2 ASP 3 13.174 7.849 11.532 20 HB3 ASP 3 HB1 ASP 3 13.826 7.340 13.087 21 H GLU 4 HN GLU 4 10.721 7.151 10.890 22 HA GLU 4 HA GLU 4 11.233 6.153 8.287 23 HB2 GLU 4 HB2 GLU 4 9.218 4.750 9.960 24 HB3 GLU 4 HB1 GLU 4 8.778 5.078 8.290 25 HG2 GLU 4 HG2 GLU 4 9.880 3.260 7.696 26 HG3 GLU 4 HG1 GLU 4 11.375 4.047 8.197 27 H GLN 5 HN GLN 5 8.071 6.731 9.782 28 HA GLN 5 HA GLN 5 7.944 9.476 9.042 29 HB2 GLN 5 HB2 GLN 5 6.834 7.420 7.189 30 HB3 GLN 5 HB1 GLN 5 5.913 8.898 7.429 31 HG2 GLN 5 HG2 GLN 5 7.171 9.833 5.871 32 HG3 GLN 5 HG1 GLN 5 8.518 9.761 7.005 33 HE21 GLN 5 HE21 GLN 5 6.796 7.332 5.077 34 HE22 GLN 5 HE22 GLN 5 8.205 6.692 4.308 35 HA PRO 6 HA PRO 6 4.722 7.727 12.008 36 HB2 PRO 6 HB2 PRO 6 5.799 8.436 14.362 37 HB3 PRO 6 HB1 PRO 6 6.256 6.935 13.548 38 HG2 PRO 6 HG2 PRO 6 7.695 9.559 13.628 39 HG3 PRO 6 HG1 PRO 6 8.349 7.919 13.790 40 HD2 PRO 6 HD2 PRO 6 8.433 9.367 11.468 41 HD3 PRO 6 HD1 PRO 6 8.417 7.593 11.523 42 H LYS 7 HN LYS 7 3.028 8.985 12.491 43 HA LYS 7 HA LYS 7 1.737 10.874 12.512 44 HB2 LYS 7 HB2 LYS 7 2.411 12.469 14.361 45 HB3 LYS 7 HB1 LYS 7 2.196 10.788 14.828 46 HG2 LYS 7 HG2 LYS 7 4.585 10.446 14.853 47 HG3 LYS 7 HG1 LYS 7 4.853 12.086 14.260 48 HD2 LYS 7 HD2 LYS 7 3.437 11.462 16.845 49 HD3 LYS 7 HD1 LYS 7 5.171 11.772 16.735 50 HE2 LYS 7 HE2 LYS 7 4.298 13.918 15.426 51 HE3 LYS 7 HE1 LYS 7 2.878 13.630 16.430 52 HZ1 LYS 7 HZ1 LYS 7 5.657 14.125 17.338 53 HZ2 LYS 7 HZ2 LYS 7 4.428 13.591 18.369 54 HZ3 LYS 7 HZ3 LYS 7 4.296 15.094 17.606 55 H LYS 8 HN LYS 8 1.962 11.767 10.484 56 HA LYS 8 HA LYS 8 3.367 14.288 10.394 57 HB2 LYS 8 HB2 LYS 8 4.341 11.891 8.974 58 HB3 LYS 8 HB1 LYS 8 4.225 13.346 7.992 59 HG2 LYS 8 HG2 LYS 8 5.921 14.374 9.069 60 HG3 LYS 8 HG1 LYS 8 5.520 13.647 10.626 61 HD2 LYS 8 HD2 LYS 8 6.779 11.785 10.236 62 HD3 LYS 8 HD1 LYS 8 6.528 11.850 8.490 63 HE2 LYS 8 HE2 LYS 8 8.137 13.575 8.236 64 HE3 LYS 8 HE1 LYS 8 8.219 13.847 9.976 65 HZ1 LYS 8 HZ1 LYS 8 8.920 11.294 9.863 66 HZ2 LYS 8 HZ2 LYS 8 10.039 12.559 9.767 67 HZ3 LYS 8 HZ3 LYS 8 9.499 11.801 8.355 68 HA PRO 9 HA PRO 9 0.080 15.490 7.727 69 HB2 PRO 9 HB2 PRO 9 1.306 16.945 5.771 70 HB3 PRO 9 HB1 PRO 9 1.056 17.541 7.416 71 HG2 PRO 9 HG2 PRO 9 3.509 16.344 6.188 72 HG3 PRO 9 HG1 PRO 9 3.365 17.750 7.260 73 HD2 PRO 9 HD2 PRO 9 4.150 15.333 8.163 74 HD3 PRO 9 HD1 PRO 9 3.184 16.443 9.157 75 H VAL 10 HN VAL 10 -1.081 14.675 6.060 76 HA VAL 10 HA VAL 10 0.293 12.791 4.281 77 HB VAL 10 HB VAL 10 -1.768 11.677 3.957 78 HG11 VAL 10 HG11 VAL 10 -1.810 12.521 6.846 79 HG12 VAL 10 HG12 VAL 10 -0.652 11.373 6.173 80 HG13 VAL 10 HG13 VAL 10 -2.375 10.998 6.160 81 HG21 VAL 10 HG21 VAL 10 -3.862 12.660 5.150 82 HG22 VAL 10 HG22 VAL 10 -3.388 13.273 3.566 83 HG23 VAL 10 HG23 VAL 10 -2.990 14.188 5.021 84 HA PRO 11 HA PRO 11 -0.405 15.312 0.728 85 HB2 PRO 11 HB2 PRO 11 -0.557 13.473 -1.230 86 HB3 PRO 11 HB1 PRO 11 0.948 13.784 -0.357 87 HG2 PRO 11 HG2 PRO 11 -1.041 11.580 0.025 88 HG3 PRO 11 HG1 PRO 11 0.730 11.498 0.012 89 HD2 PRO 11 HD2 PRO 11 -0.761 11.550 2.302 90 HD3 PRO 11 HD1 PRO 11 0.898 12.170 2.200 91 H ALA 12 HN ALA 12 -1.835 14.971 -1.505 92 HA ALA 12 HA ALA 12 -4.609 14.622 -0.568 93 HB1 ALA 12 HB1 ALA 12 -4.105 16.968 -0.960 94 HB2 ALA 12 HB2 ALA 12 -5.261 16.377 -2.153 95 HB3 ALA 12 HB3 ALA 12 -3.569 16.596 -2.598 96 H ALA 13 HN ALA 13 -5.631 12.991 -1.505 97 HA ALA 13 HA ALA 13 -4.636 11.954 -4.057 98 HB1 ALA 13 HB1 ALA 13 -5.569 9.899 -3.508 99 HB2 ALA 13 HB2 ALA 13 -6.728 10.613 -2.387 100 HB3 ALA 13 HB3 ALA 13 -5.023 10.517 -1.949 101 H GLU 14 HN GLU 14 -6.567 10.853 -5.346 102 HA GLU 14 HA GLU 14 -8.913 12.581 -5.426 103 HB2 GLU 14 HB2 GLU 14 -8.606 12.765 -7.963 104 HB3 GLU 14 HB1 GLU 14 -7.598 13.790 -6.951 105 HG2 GLU 14 HG2 GLU 14 -5.851 11.916 -7.158 106 HG3 GLU 14 HG1 GLU 14 -6.837 11.352 -8.507 107 H GLU 15 HN GLU 15 -7.246 9.942 -7.151 108 HA GLU 15 HA GLU 15 -9.213 8.018 -6.622 109 HB2 GLU 15 HB2 GLU 15 -10.214 9.771 -8.419 110 HB3 GLU 15 HB1 GLU 15 -9.424 8.640 -9.508 111 HG2 GLU 15 HG2 GLU 15 -11.328 7.495 -9.398 112 HG3 GLU 15 HG1 GLU 15 -10.748 6.959 -7.822 113 H ALA 16 HN ALA 16 -9.069 6.313 -8.704 114 HA ALA 16 HA ALA 16 -6.181 5.796 -8.908 115 HB1 ALA 16 HB1 ALA 16 -7.954 3.583 -9.597 116 HB2 ALA 16 HB2 ALA 16 -8.175 4.174 -7.950 117 HB3 ALA 16 HB3 ALA 16 -6.584 3.637 -8.487 118 HA PRO 17 HA PRO 17 -6.224 5.998 -13.310 119 HB2 PRO 17 HB2 PRO 17 -4.777 3.859 -14.110 120 HB3 PRO 17 HB1 PRO 17 -4.049 5.239 -13.279 121 HG2 PRO 17 HG2 PRO 17 -4.862 2.578 -12.177 122 HG3 PRO 17 HG1 PRO 17 -3.393 3.518 -11.860 123 HD2 PRO 17 HD2 PRO 17 -5.517 3.471 -10.162 124 HD3 PRO 17 HD1 PRO 17 -4.442 4.873 -10.325 125 H ALA 18 HN ALA 18 -7.463 5.442 -15.034 126 HA ALA 18 HA ALA 18 -8.690 2.794 -15.137 127 HB1 ALA 18 HB1 ALA 18 -10.869 3.465 -14.999 128 HB2 ALA 18 HB2 ALA 18 -10.520 5.096 -15.572 129 HB3 ALA 18 HB3 ALA 18 -10.127 4.640 -13.914 130 H ALA 19 HN ALA 19 -8.462 2.026 -17.123 131 HA ALA 19 HA ALA 19 -8.902 3.741 -19.426 132 HB1 ALA 19 HB1 ALA 19 -6.795 3.269 -20.485 133 HB2 ALA 19 HB2 ALA 19 -6.302 2.243 -19.137 134 HB3 ALA 19 HB3 ALA 19 -6.490 3.981 -18.900 135 H GLU 20 HN GLU 20 -8.756 2.427 -21.495 136 HA GLU 20 HA GLU 20 -10.366 0.091 -21.191 137 HB2 GLU 20 HB2 GLU 20 -10.500 1.728 -23.102 138 HB3 GLU 20 HB1 GLU 20 -8.991 1.053 -23.702 139 HG2 GLU 20 HG2 GLU 20 -10.015 -1.098 -24.011 140 HG3 GLU 20 HG1 GLU 20 -11.509 -0.535 -23.263 141 H ALA 21 HN ALA 21 -9.852 -2.019 -22.121 142 HA ALA 21 HA ALA 21 -8.586 -3.906 -22.234 143 HB1 ALA 21 HB1 ALA 21 -6.061 -3.325 -22.904 144 HB2 ALA 21 HB2 ALA 21 -6.835 -1.807 -23.359 145 HB3 ALA 21 HB3 ALA 21 -7.388 -3.326 -24.065 146 H GLU 22 HN GLU 22 -6.217 -4.740 -21.470 147 HA GLU 22 HA GLU 22 -5.642 -3.604 -18.829 148 HB2 GLU 22 HB2 GLU 22 -5.935 -6.575 -19.245 149 HB3 GLU 22 HB1 GLU 22 -5.773 -5.706 -17.725 150 HG2 GLU 22 HG2 GLU 22 -7.989 -5.960 -17.611 151 HG3 GLU 22 HG1 GLU 22 -8.025 -4.581 -18.709 152 H ALA 23 HN ALA 23 -3.562 -4.137 -17.990 153 HA ALA 23 HA ALA 23 -1.695 -5.702 -19.469 154 HB1 ALA 23 HB1 ALA 23 -0.532 -4.184 -20.668 155 HB2 ALA 23 HB2 ALA 23 -0.788 -2.897 -19.490 156 HB3 ALA 23 HB3 ALA 23 -2.062 -3.307 -20.638 157 H GLU 24 HN GLU 24 -0.979 -6.640 -17.631 158 HA GLU 24 HA GLU 24 0.817 -5.185 -15.964 159 HB2 GLU 24 HB2 GLU 24 -1.699 -4.826 -15.131 160 HB3 GLU 24 HB1 GLU 24 -1.378 -6.365 -14.342 161 HG2 GLU 24 HG2 GLU 24 0.855 -4.973 -13.696 162 HG3 GLU 24 HG1 GLU 24 -0.349 -3.687 -13.751 163 H GLU 25 HN GLU 25 2.265 -6.526 -15.001 164 HA GLU 25 HA GLU 25 1.836 -9.405 -15.402 165 HB2 GLU 25 HB2 GLU 25 4.416 -7.883 -14.990 166 HB3 GLU 25 HB1 GLU 25 4.282 -9.611 -15.283 167 HG2 GLU 25 HG2 GLU 25 3.347 -7.495 -17.205 168 HG3 GLU 25 HG1 GLU 25 4.927 -8.275 -17.273 169 H GLU 26 HN GLU 26 3.209 -10.740 -13.751 170 HA GLU 26 HA GLU 26 3.399 -11.512 -11.621 171 HB2 GLU 26 HB2 GLU 26 3.476 -8.609 -10.797 172 HB3 GLU 26 HB1 GLU 26 4.128 -9.983 -9.916 173 HG2 GLU 26 HG2 GLU 26 5.118 -9.160 -12.629 174 HG3 GLU 26 HG1 GLU 26 5.798 -8.543 -11.124 175 H GLU 27 HN GLU 27 1.199 -12.279 -11.804 176 HA GLU 27 HA GLU 27 -0.581 -10.916 -9.903 177 HB2 GLU 27 HB2 GLU 27 -2.515 -11.611 -11.329 178 HB3 GLU 27 HB1 GLU 27 -1.482 -10.392 -12.062 179 HG2 GLU 27 HG2 GLU 27 -0.332 -12.592 -13.057 180 HG3 GLU 27 HG1 GLU 27 -1.979 -13.188 -12.855 181 H GLY 28 HN GLY 28 -0.694 -12.237 -8.207 182 HA2 GLY 28 HA2 GLY 28 -0.446 -15.110 -8.540 183 HA3 GLY 28 HA1 GLY 28 -0.557 -14.240 -7.017 184 H LEU 29 HN LEU 29 -2.786 -13.141 -6.707 185 HA LEU 29 HA LEU 29 -4.781 -15.231 -7.094 186 HB2 LEU 29 HB2 LEU 29 -4.475 -12.904 -5.257 187 HB3 LEU 29 HB1 LEU 29 -6.093 -13.492 -5.587 188 HG LEU 29 HG LEU 29 -5.316 -14.511 -3.563 189 HD11 LEU 29 HD11 LEU 29 -6.370 -15.891 -5.613 190 HD12 LEU 29 HD12 LEU 29 -6.024 -16.598 -4.035 191 HD13 LEU 29 HD13 LEU 29 -4.882 -16.804 -5.363 192 HD21 LEU 29 HD21 LEU 29 -2.866 -14.183 -4.192 193 HD22 LEU 29 HD22 LEU 29 -3.002 -15.720 -5.046 194 HD23 LEU 29 HD23 LEU 29 -3.283 -15.650 -3.306 195 H HIS 30 HN HIS 30 -6.709 -14.957 -8.158 196 HA HIS 30 HA HIS 30 -6.879 -12.568 -9.863 197 HB2 HIS 30 HB2 HIS 30 -7.792 -15.407 -10.218 198 HB3 HIS 30 HB1 HIS 30 -8.536 -14.110 -11.149 199 HD1 HIS 30 HD1 HIS 30 -5.024 -15.412 -10.457 200 HD2 HIS 30 HD2 HIS 30 -7.247 -13.613 -13.471 201 HE1 HIS 30 HE1 HIS 30 -3.491 -15.301 -12.447 202 HE2 HIS 30 HE2 HIS 30 -4.886 -14.288 -14.284 203 H LEU 31 HN LEU 31 -8.949 -11.611 -10.252 204 HA LEU 31 HA LEU 31 -11.252 -12.357 -8.750 205 HB2 LEU 31 HB2 LEU 31 -9.440 -11.008 -7.242 206 HB3 LEU 31 HB1 LEU 31 -10.382 -9.675 -7.884 207 HG LEU 31 HG LEU 31 -12.402 -11.207 -7.052 208 HD11 LEU 31 HD11 LEU 31 -9.999 -12.227 -5.670 209 HD12 LEU 31 HD12 LEU 31 -11.519 -13.034 -6.055 210 HD13 LEU 31 HD13 LEU 31 -11.426 -11.940 -4.675 211 HD21 LEU 31 HD21 LEU 31 -11.939 -9.967 -4.740 212 HD22 LEU 31 HD22 LEU 31 -12.466 -9.109 -6.188 213 HD23 LEU 31 HD23 LEU 31 -10.759 -9.120 -5.742 214 H GLU 32 HN GLU 32 -12.639 -10.018 -8.638 215 HA GLU 32 HA GLU 32 -13.144 -9.519 -11.428 216 HB2 GLU 32 HB2 GLU 32 -15.043 -8.204 -10.642 217 HB3 GLU 32 HB1 GLU 32 -14.996 -9.765 -9.835 218 HG2 GLU 32 HG2 GLU 32 -14.125 -8.776 -7.837 219 HG3 GLU 32 HG1 GLU 32 -13.939 -7.216 -8.638 220 H ASP 33 HN ASP 33 -12.610 -7.770 -12.601 221 HA ASP 33 HA ASP 33 -10.651 -5.962 -11.584 222 HB2 ASP 33 HB2 ASP 33 -10.922 -6.839 -13.997 223 HB3 ASP 33 HB1 ASP 33 -12.144 -5.582 -14.170 224 H ASP 34 HN ASP 34 -11.861 -5.035 -9.813 225 HA ASP 34 HA ASP 34 -13.308 -2.655 -10.658 226 HB2 ASP 34 HB2 ASP 34 -14.842 -4.757 -10.027 227 HB3 ASP 34 HB1 ASP 34 -14.560 -4.138 -8.403 228 H GLN 35 HN GLN 35 -11.293 -1.723 -9.925 229 HA GLN 35 HA GLN 35 -10.010 -0.595 -8.425 230 HB2 GLN 35 HB2 GLN 35 -12.568 -0.895 -6.870 231 HB3 GLN 35 HB1 GLN 35 -11.169 -0.084 -6.180 232 HG2 GLN 35 HG2 GLN 35 -12.447 1.644 -7.051 233 HG3 GLN 35 HG1 GLN 35 -11.211 1.374 -8.279 234 HE21 GLN 35 HE21 GLN 35 -11.798 0.196 -10.176 235 HE22 GLN 35 HE22 GLN 35 -13.436 0.188 -10.724 236 H GLU 36 HN GLU 36 -9.300 -0.745 -5.920 237 HA GLU 36 HA GLU 36 -8.758 -3.597 -5.407 238 HB2 GLU 36 HB2 GLU 36 -6.959 -1.194 -5.155 239 HB3 GLU 36 HB1 GLU 36 -6.615 -2.700 -4.315 240 HG2 GLU 36 HG2 GLU 36 -5.396 -2.466 -6.442 241 HG3 GLU 36 HG1 GLU 36 -6.439 -3.886 -6.391 242 HA PRO 37 HA PRO 37 -11.242 -1.920 -1.830 243 HB2 PRO 37 HB2 PRO 37 -11.616 -4.871 -1.634 244 HB3 PRO 37 HB1 PRO 37 -12.801 -3.572 -1.452 245 HG2 PRO 37 HG2 PRO 37 -12.731 -5.042 -3.670 246 HG3 PRO 37 HG1 PRO 37 -13.047 -3.298 -3.743 247 HD2 PRO 37 HD2 PRO 37 -10.561 -4.806 -4.415 248 HD3 PRO 37 HD1 PRO 37 -11.245 -3.357 -5.178 249 H ARG 38 HN ARG 38 -11.052 -2.473 0.479 250 HA ARG 38 HA ARG 38 -9.121 -4.242 1.489 251 HB2 ARG 38 HB2 ARG 38 -7.298 -2.805 2.056 252 HB3 ARG 38 HB1 ARG 38 -7.599 -2.615 0.335 253 HG2 ARG 38 HG2 ARG 38 -8.472 -0.723 2.509 254 HG3 ARG 38 HG1 ARG 38 -7.143 -0.475 1.376 255 HD2 ARG 38 HD2 ARG 38 -9.035 -0.874 -0.410 256 HD3 ARG 38 HD1 ARG 38 -10.084 -0.372 0.915 257 HE ARG 38 HE ARG 38 -7.871 1.403 0.458 258 HH11 ARG 38 HH11 ARG 38 -11.139 0.608 -0.473 259 HH12 ARG 38 HH12 ARG 38 -11.497 2.202 -1.046 260 HH21 ARG 38 HH21 ARG 38 -8.340 3.501 -0.295 261 HH22 ARG 38 HH22 ARG 38 -9.908 3.845 -0.946 262 H GLU 39 HN GLU 39 -8.286 -3.008 3.777 263 HA GLU 39 HA GLU 39 -10.578 -1.723 5.021 264 HB2 GLU 39 HB2 GLU 39 -10.532 -4.412 5.149 265 HB3 GLU 39 HB1 GLU 39 -9.526 -4.040 6.542 266 HG2 GLU 39 HG2 GLU 39 -11.889 -4.335 7.126 267 HG3 GLU 39 HG1 GLU 39 -11.287 -2.726 7.523 268 H HIS 40 HN HIS 40 -10.077 -1.145 7.341 269 HA HIS 40 HA HIS 40 -7.378 -0.076 7.437 270 HB2 HIS 40 HB2 HIS 40 -8.259 1.108 9.494 271 HB3 HIS 40 HB1 HIS 40 -9.077 1.500 7.986 272 HD1 HIS 40 HD1 HIS 40 -9.572 -0.491 11.154 273 HD2 HIS 40 HD2 HIS 40 -11.773 0.956 7.940 274 HE1 HIS 40 HE1 HIS 40 -11.981 -0.898 11.751 275 HE2 HIS 40 HE2 HIS 40 -13.289 -0.093 9.754 276 HA PRO 41 HA PRO 41 -5.906 -3.163 10.249 277 HB2 PRO 41 HB2 PRO 41 -3.744 -1.898 11.244 278 HB3 PRO 41 HB1 PRO 41 -3.807 -2.479 9.575 279 HG2 PRO 41 HG2 PRO 41 -4.240 0.287 10.635 280 HG3 PRO 41 HG1 PRO 41 -3.327 -0.233 9.207 281 HD2 PRO 41 HD2 PRO 41 -5.861 0.764 9.081 282 HD3 PRO 41 HD1 PRO 41 -5.213 -0.399 7.908 283 H ILE 42 HN ILE 42 -4.728 -2.937 12.634 284 HA ILE 42 HA ILE 42 -6.751 -1.589 14.297 285 HB ILE 42 HB ILE 42 -6.582 -4.135 14.371 286 HG12 ILE 42 HG12 ILE 42 -6.123 -2.884 17.066 287 HG13 ILE 42 HG11 ILE 42 -7.569 -2.516 16.132 288 HG21 ILE 42 HG21 ILE 42 -4.339 -3.849 16.284 289 HG22 ILE 42 HG22 ILE 42 -3.952 -3.817 14.564 290 HG23 ILE 42 HG23 ILE 42 -4.787 -5.209 15.254 291 HD11 ILE 42 HD11 ILE 42 -8.447 -4.266 17.195 292 HD12 ILE 42 HD12 ILE 42 -6.867 -4.905 17.649 293 HD13 ILE 42 HD13 ILE 42 -7.526 -5.238 16.047 294 H MET 43 HN MET 43 -5.945 -0.972 16.512 295 HA MET 43 HA MET 43 -4.031 0.970 16.431 296 HB2 MET 43 HB2 MET 43 -3.874 0.715 18.915 297 HB3 MET 43 HB1 MET 43 -5.519 0.816 18.302 298 HG2 MET 43 HG2 MET 43 -5.976 -1.026 19.434 299 HG3 MET 43 HG1 MET 43 -4.931 -1.902 18.319 300 HE1 MET 43 HE1 MET 43 -3.148 -3.755 20.369 301 HE2 MET 43 HE2 MET 43 -1.929 -2.689 19.670 302 HE3 MET 43 HE3 MET 43 -3.364 -3.119 18.738 303 H GLY 44 HN GLY 44 -1.851 1.157 16.996 304 HA2 GLY 44 HA2 GLY 44 -0.126 -0.681 18.028 305 HA3 GLY 44 HA1 GLY 44 -0.250 -1.142 16.337 306 H GLY 45 HN GLY 45 2.156 -0.350 17.497 307 HA2 GLY 45 HA2 GLY 45 2.574 2.409 16.591 308 HA3 GLY 45 HA1 GLY 45 3.692 1.462 17.561 309 H ILE 46 HN ILE 46 5.489 1.683 16.299 310 HA ILE 46 HA ILE 46 5.310 0.921 13.476 311 HB ILE 46 HB ILE 46 7.808 1.911 14.818 312 HG12 ILE 46 HG12 ILE 46 5.992 3.507 15.350 313 HG13 ILE 46 HG11 ILE 46 7.188 4.201 14.261 314 HG21 ILE 46 HG21 ILE 46 7.616 0.925 12.421 315 HG22 ILE 46 HG22 ILE 46 8.560 2.390 12.690 316 HG23 ILE 46 HG23 ILE 46 6.931 2.501 12.025 317 HD11 ILE 46 HD11 ILE 46 4.387 3.342 13.679 318 HD12 ILE 46 HD12 ILE 46 5.580 3.489 12.388 319 HD13 ILE 46 HD13 ILE 46 5.167 4.894 13.372 320 H TYR 47 HN TYR 47 5.067 -1.078 15.550 321 HA TYR 47 HA TYR 47 7.366 -2.746 14.806 322 HB2 TYR 47 HB2 TYR 47 7.354 -1.739 17.243 323 HB3 TYR 47 HB1 TYR 47 6.197 -3.031 17.544 324 HD1 TYR 47 HD1 TYR 47 9.284 -2.955 15.446 325 HD2 TYR 47 HD2 TYR 47 7.290 -4.640 18.805 326 HE1 TYR 47 HE1 TYR 47 11.141 -4.538 15.746 327 HE2 TYR 47 HE2 TYR 47 9.142 -6.227 19.116 328 HH TYR 47 HH TYR 47 12.124 -5.888 17.626 329 H ASP 48 HN ASP 48 4.093 -2.679 16.178 330 HA ASP 48 HA ASP 48 3.486 -5.381 15.988 331 HB2 ASP 48 HB2 ASP 48 2.126 -3.134 16.765 332 HB3 ASP 48 HB1 ASP 48 1.260 -3.586 15.300 333 H ALA 49 HN ALA 49 3.193 -6.732 14.345 334 HA ALA 49 HA ALA 49 2.397 -5.668 11.731 335 HB1 ALA 49 HB1 ALA 49 4.739 -7.507 12.204 336 HB2 ALA 49 HB2 ALA 49 4.798 -5.848 11.609 337 HB3 ALA 49 HB3 ALA 49 4.070 -7.114 10.621 338 HA PRO 50 HA PRO 50 0.273 -9.672 13.258 339 HB2 PRO 50 HB2 PRO 50 -2.264 -8.594 13.204 340 HB3 PRO 50 HB1 PRO 50 -1.264 -8.737 14.652 341 HG2 PRO 50 HG2 PRO 50 -1.726 -6.370 12.892 342 HG3 PRO 50 HG1 PRO 50 -1.573 -6.447 14.656 343 HD2 PRO 50 HD2 PRO 50 0.442 -5.601 13.080 344 HD3 PRO 50 HD1 PRO 50 0.734 -6.503 14.581 345 H LEU 51 HN LEU 51 -1.781 -7.513 11.356 346 HA LEU 51 HA LEU 51 -2.702 -7.699 9.285 347 HB2 LEU 51 HB2 LEU 51 -0.352 -7.575 8.574 348 HB3 LEU 51 HB1 LEU 51 -0.219 -9.317 8.712 349 HG LEU 51 HG LEU 51 -2.416 -8.572 6.972 350 HD11 LEU 51 HD11 LEU 51 0.261 -7.825 5.871 351 HD12 LEU 51 HD12 LEU 51 -0.724 -6.632 6.717 352 HD13 LEU 51 HD13 LEU 51 -1.349 -7.426 5.271 353 HD21 LEU 51 HD21 LEU 51 -0.065 -9.936 5.871 354 HD22 LEU 51 HD22 LEU 51 -1.761 -10.421 5.883 355 HD23 LEU 51 HD23 LEU 51 -0.754 -10.697 7.305 356 H ASN 52 HN ASN 52 -4.391 -8.976 10.280 357 HA ASN 52 HA ASN 52 -4.294 -11.821 10.289 358 HB2 ASN 52 HB2 ASN 52 -5.894 -10.023 11.504 359 HB3 ASN 52 HB1 ASN 52 -6.935 -10.478 10.158 360 HD21 ASN 52 HD21 ASN 52 -6.532 -11.065 13.239 361 HD22 ASN 52 HD22 ASN 52 -6.936 -12.742 13.330 362 H ASN 53 HN ASN 53 -5.290 -9.410 7.966 363 HA ASN 53 HA ASN 53 -6.623 -11.282 6.236 364 HB2 ASN 53 HB2 ASN 53 -6.682 -9.361 4.642 365 HB3 ASN 53 HB1 ASN 53 -7.368 -8.986 6.220 366 HD21 ASN 53 HD21 ASN 53 -6.288 -7.584 7.592 367 HD22 ASN 53 HD22 ASN 53 -5.013 -6.555 7.042 368 H GLU 54 HN GLU 54 -4.495 -12.629 6.490 369 HA GLU 54 HA GLU 54 -2.531 -11.861 4.457 370 HB2 GLU 54 HB2 GLU 54 -1.116 -13.602 5.398 371 HB3 GLU 54 HB1 GLU 54 -1.678 -12.523 6.667 372 HG2 GLU 54 HG2 GLU 54 -3.430 -14.183 7.231 373 HG3 GLU 54 HG1 GLU 54 -2.720 -15.275 6.043 374 H ASN 55 HN ASN 55 -5.344 -13.086 4.093 375 HA ASN 55 HA ASN 55 -5.114 -15.691 3.114 376 HB2 ASN 55 HB2 ASN 55 -6.986 -13.542 2.099 377 HB3 ASN 55 HB1 ASN 55 -7.210 -15.284 1.961 378 HD21 ASN 55 HD21 ASN 55 -7.552 -12.519 3.942 379 HD22 ASN 55 HD22 ASN 55 -8.281 -13.302 5.299 380 H GLY 56 HN GLY 56 -4.652 -12.575 1.499 381 HA2 GLY 56 HA2 GLY 56 -2.723 -12.788 -0.166 382 HA3 GLY 56 HA1 GLY 56 -3.737 -14.020 -0.903 383 H PHE 57 HN PHE 57 -6.228 -12.843 -0.744 384 HA PHE 57 HA PHE 57 -6.154 -11.089 -2.965 385 HB2 PHE 57 HB2 PHE 57 -8.422 -11.707 -1.060 386 HB3 PHE 57 HB1 PHE 57 -8.592 -10.875 -2.602 387 HD1 PHE 57 HD2 PHE 57 -8.063 -12.108 -4.715 388 HD2 PHE 57 HD1 PHE 57 -8.353 -14.051 -0.941 389 HE1 PHE 57 HE2 PHE 57 -8.339 -14.271 -5.855 390 HE2 PHE 57 HE1 PHE 57 -8.628 -16.218 -2.073 391 HZ PHE 57 HZ PHE 57 -8.622 -16.330 -4.533 392 H ASP 58 HN ASP 58 -6.611 -10.583 0.499 393 HA ASP 58 HA ASP 58 -7.218 -7.818 0.322 394 HB2 ASP 58 HB2 ASP 58 -7.482 -9.565 2.300 395 HB3 ASP 58 HB1 ASP 58 -5.901 -8.938 2.756 396 H LYS 59 HN LYS 59 -4.218 -9.573 1.079 397 HA LYS 59 HA LYS 59 -2.600 -7.304 1.433 398 HB2 LYS 59 HB2 LYS 59 -0.734 -8.785 1.325 399 HB3 LYS 59 HB1 LYS 59 -2.040 -9.662 2.111 400 HG2 LYS 59 HG2 LYS 59 -2.510 -10.866 0.072 401 HG3 LYS 59 HG1 LYS 59 -1.289 -9.930 -0.792 402 HD2 LYS 59 HD2 LYS 59 -0.334 -11.265 1.646 403 HD3 LYS 59 HD1 LYS 59 -0.849 -12.353 0.356 404 HE2 LYS 59 HE2 LYS 59 0.704 -11.429 -1.171 405 HE3 LYS 59 HE1 LYS 59 1.034 -10.057 -0.115 406 HZ1 LYS 59 HZ1 LYS 59 2.847 -11.437 0.201 407 HZ2 LYS 59 HZ2 LYS 59 1.924 -12.855 0.163 408 HZ3 LYS 59 HZ3 LYS 59 1.856 -11.839 1.513 409 H GLU 60 HN GLU 60 -3.375 -9.213 -1.434 410 HA GLU 60 HA GLU 60 -1.560 -7.939 -3.183 411 HB2 GLU 60 HB2 GLU 60 -4.105 -9.483 -3.652 412 HB3 GLU 60 HB1 GLU 60 -3.150 -8.826 -4.974 413 HG2 GLU 60 HG2 GLU 60 -1.608 -10.390 -3.043 414 HG3 GLU 60 HG1 GLU 60 -2.850 -11.304 -3.897 415 H ASP 61 HN ASP 61 -5.041 -7.429 -2.633 416 HA ASP 61 HA ASP 61 -5.402 -5.342 -4.447 417 HB2 ASP 61 HB2 ASP 61 -6.821 -5.903 -1.836 418 HB3 ASP 61 HB1 ASP 61 -7.370 -4.727 -3.027 419 H LEU 62 HN LEU 62 -4.509 -5.243 -1.016 420 HA LEU 62 HA LEU 62 -4.463 -2.450 -0.742 421 HB2 LEU 62 HB2 LEU 62 -4.470 -3.850 1.202 422 HB3 LEU 62 HB1 LEU 62 -2.975 -4.625 0.718 423 HG LEU 62 HG LEU 62 -1.674 -2.756 1.300 424 HD11 LEU 62 HD11 LEU 62 -4.251 -1.245 1.157 425 HD12 LEU 62 HD12 LEU 62 -2.707 -0.903 0.376 426 HD13 LEU 62 HD13 LEU 62 -2.901 -0.623 2.106 427 HD21 LEU 62 HD21 LEU 62 -3.834 -3.433 3.224 428 HD22 LEU 62 HD22 LEU 62 -2.748 -2.100 3.617 429 HD23 LEU 62 HD23 LEU 62 -2.096 -3.713 3.329 430 H ALA 63 HN ALA 63 -1.781 -4.719 -1.347 431 HA ALA 63 HA ALA 63 0.265 -2.855 -1.579 432 HB1 ALA 63 HB1 ALA 63 1.490 -4.563 -2.808 433 HB2 ALA 63 HB2 ALA 63 -0.004 -5.464 -3.069 434 HB3 ALA 63 HB3 ALA 63 0.637 -5.271 -1.437 435 H ARG 64 HN ARG 64 -1.663 -4.301 -4.210 436 HA ARG 64 HA ARG 64 -0.554 -2.752 -6.275 437 HB2 ARG 64 HB2 ARG 64 -2.147 -4.873 -6.283 438 HB3 ARG 64 HB1 ARG 64 -3.396 -3.645 -6.444 439 HG2 ARG 64 HG2 ARG 64 -1.053 -4.056 -8.290 440 HG3 ARG 64 HG1 ARG 64 -2.735 -4.480 -8.615 441 HD2 ARG 64 HD2 ARG 64 -3.175 -1.960 -8.125 442 HD3 ARG 64 HD1 ARG 64 -1.453 -1.784 -8.458 443 HE ARG 64 HE ARG 64 -1.947 -1.973 -10.668 444 HH11 ARG 64 HH11 ARG 64 -4.485 -3.544 -8.861 445 HH12 ARG 64 HH12 ARG 64 -5.426 -3.917 -10.266 446 HH21 ARG 64 HH21 ARG 64 -3.183 -2.462 -12.517 447 HH22 ARG 64 HH22 ARG 64 -4.687 -3.303 -12.342 448 H PHE 65 HN PHE 65 -3.267 -2.195 -4.111 449 HA PHE 65 HA PHE 65 -4.413 0.011 -5.387 450 HB2 PHE 65 HB2 PHE 65 -5.530 -1.147 -3.557 451 HB3 PHE 65 HB1 PHE 65 -4.271 -0.644 -2.436 452 HD1 PHE 65 HD2 PHE 65 -6.659 0.893 -4.860 453 HD2 PHE 65 HD1 PHE 65 -4.728 1.138 -1.076 454 HE1 PHE 65 HE2 PHE 65 -7.940 2.929 -4.342 455 HE2 PHE 65 HE1 PHE 65 -6.006 3.174 -0.550 456 HZ PHE 65 HZ PHE 65 -7.614 4.072 -2.185 457 H ALA 66 HN ALA 66 -2.095 -0.003 -2.671 458 HA ALA 66 HA ALA 66 -1.672 2.765 -2.614 459 HB1 ALA 66 HB1 ALA 66 0.644 1.901 -1.618 460 HB2 ALA 66 HB2 ALA 66 -0.264 0.391 -1.540 461 HB3 ALA 66 HB3 ALA 66 -0.866 1.826 -0.710 462 H VAL 67 HN VAL 67 0.344 0.215 -4.083 463 HA VAL 67 HA VAL 67 2.302 1.794 -5.210 464 HB VAL 67 HB VAL 67 1.106 -0.670 -6.486 465 HG11 VAL 67 HG11 VAL 67 3.382 -0.948 -7.423 466 HG12 VAL 67 HG12 VAL 67 3.811 0.632 -6.768 467 HG13 VAL 67 HG13 VAL 67 2.562 0.500 -8.006 468 HG21 VAL 67 HG21 VAL 67 2.186 -0.504 -3.964 469 HG22 VAL 67 HG22 VAL 67 3.564 -0.993 -4.950 470 HG23 VAL 67 HG23 VAL 67 2.091 -1.963 -4.949 471 H ARG 68 HN ARG 68 -0.705 0.706 -6.785 472 HA ARG 68 HA ARG 68 -0.323 2.221 -9.139 473 HB2 ARG 68 HB2 ARG 68 -1.807 0.318 -9.141 474 HB3 ARG 68 HB1 ARG 68 -2.820 1.049 -7.904 475 HG2 ARG 68 HG2 ARG 68 -3.671 2.652 -9.399 476 HG3 ARG 68 HG1 ARG 68 -2.414 2.320 -10.594 477 HD2 ARG 68 HD2 ARG 68 -4.043 -0.005 -9.858 478 HD3 ARG 68 HD1 ARG 68 -4.938 1.292 -10.649 479 HE ARG 68 HE ARG 68 -2.493 0.589 -11.987 480 HH11 ARG 68 HH11 ARG 68 -5.887 -0.153 -11.651 481 HH12 ARG 68 HH12 ARG 68 -6.013 -0.874 -13.221 482 HH21 ARG 68 HH21 ARG 68 -2.657 -0.358 -14.052 483 HH22 ARG 68 HH22 ARG 68 -4.179 -0.991 -14.584 484 H GLU 69 HN GLU 69 -1.700 2.961 -6.024 485 HA GLU 69 HA GLU 69 -3.163 5.262 -6.735 486 HB2 GLU 69 HB2 GLU 69 -3.464 4.121 -4.590 487 HB3 GLU 69 HB1 GLU 69 -1.831 4.565 -4.111 488 HG2 GLU 69 HG2 GLU 69 -3.477 6.001 -3.056 489 HG3 GLU 69 HG1 GLU 69 -2.445 6.919 -4.152 490 H TYR 70 HN TYR 70 0.201 4.793 -5.762 491 HA TYR 70 HA TYR 70 0.726 7.647 -6.014 492 HB2 TYR 70 HB2 TYR 70 2.630 7.302 -4.790 493 HB3 TYR 70 HB1 TYR 70 1.701 5.910 -4.249 494 HD1 TYR 70 HD2 TYR 70 4.430 7.001 -6.487 495 HD2 TYR 70 HD1 TYR 70 2.423 3.692 -4.722 496 HE1 TYR 70 HE2 TYR 70 6.243 5.514 -7.229 497 HE2 TYR 70 HE1 TYR 70 4.230 2.195 -5.459 498 HH TYR 70 HH TYR 70 6.651 2.389 -6.064 499 H ASN 71 HN ASN 71 0.970 4.781 -7.880 500 HA ASN 71 HA ASN 71 3.028 5.788 -9.642 501 HB2 ASN 71 HB2 ASN 71 1.405 3.277 -9.489 502 HB3 ASN 71 HB1 ASN 71 2.241 3.678 -10.987 503 HD21 ASN 71 HD21 ASN 71 4.582 4.261 -10.701 504 HD22 ASN 71 HD22 ASN 71 5.494 3.303 -9.590 505 H ASN 72 HN ASN 72 -0.428 5.854 -9.475 506 HA ASN 72 HA ASN 72 -0.766 6.410 -12.292 507 HB2 ASN 72 HB2 ASN 72 -3.062 6.318 -11.918 508 HB3 ASN 72 HB1 ASN 72 -2.435 5.208 -10.706 509 HD21 ASN 72 HD21 ASN 72 -2.504 5.784 -8.540 510 HD22 ASN 72 HD22 ASN 72 -3.475 7.091 -7.963 511 H LYS 73 HN LYS 73 -0.685 8.223 -9.277 512 HA LYS 73 HA LYS 73 -1.712 10.647 -10.058 513 HB2 LYS 73 HB2 LYS 73 0.091 11.616 -8.448 514 HB3 LYS 73 HB1 LYS 73 -1.179 10.578 -7.817 515 HG2 LYS 73 HG2 LYS 73 0.264 8.772 -7.557 516 HG3 LYS 73 HG1 LYS 73 1.480 9.467 -8.627 517 HD2 LYS 73 HD2 LYS 73 1.506 11.383 -6.831 518 HD3 LYS 73 HD1 LYS 73 0.855 10.119 -5.785 519 HE2 LYS 73 HE2 LYS 73 2.762 8.738 -6.141 520 HE3 LYS 73 HE1 LYS 73 3.356 9.786 -7.428 521 HZ1 LYS 73 HZ1 LYS 73 3.275 11.526 -5.454 522 HZ2 LYS 73 HZ2 LYS 73 4.624 10.547 -5.736 523 HZ3 LYS 73 HZ3 LYS 73 3.510 10.123 -4.536 524 H ASN 74 HN ASN 74 1.617 9.506 -10.514 525 HA ASN 74 HA ASN 74 1.973 10.888 -12.921 526 HB2 ASN 74 HB2 ASN 74 3.753 12.502 -11.956 527 HB3 ASN 74 HB1 ASN 74 2.052 12.931 -11.826 528 HD21 ASN 74 HD21 ASN 74 4.628 11.298 -10.030 529 HD22 ASN 74 HD22 ASN 74 4.123 11.845 -8.473 530 H ASN 75 HN ASN 75 3.418 9.405 -10.086 531 HA ASN 75 HA ASN 75 6.015 9.005 -10.882 532 HB2 ASN 75 HB2 ASN 75 4.439 8.098 -8.814 533 HB3 ASN 75 HB1 ASN 75 4.839 6.611 -9.667 534 HD21 ASN 75 HD21 ASN 75 6.904 5.849 -9.631 535 HD22 ASN 75 HD22 ASN 75 8.155 6.534 -8.656 536 H ALA 76 HN ALA 76 6.922 6.714 -11.433 537 HA ALA 76 HA ALA 76 6.266 6.167 -14.103 538 HB1 ALA 76 HB1 ALA 76 7.603 4.048 -12.521 539 HB2 ALA 76 HB2 ALA 76 8.396 5.621 -12.607 540 HB3 ALA 76 HB3 ALA 76 8.030 4.736 -14.088 541 H LEU 77 HN LEU 77 6.067 3.550 -14.559 542 HA LEU 77 HA LEU 77 3.597 2.717 -13.186 543 HB2 LEU 77 HB2 LEU 77 3.934 3.382 -15.901 544 HB3 LEU 77 HB1 LEU 77 3.788 1.636 -15.849 545 HG LEU 77 HG LEU 77 1.610 2.581 -16.202 546 HD11 LEU 77 HD11 LEU 77 1.379 0.665 -14.925 547 HD12 LEU 77 HD12 LEU 77 0.497 1.865 -13.980 548 HD13 LEU 77 HD13 LEU 77 2.130 1.396 -13.506 549 HD21 LEU 77 HD21 LEU 77 2.426 4.386 -13.987 550 HD22 LEU 77 HD22 LEU 77 0.719 3.969 -14.138 551 HD23 LEU 77 HD23 LEU 77 1.560 4.746 -15.480 552 H LEU 78 HN LEU 78 4.724 1.358 -11.778 553 HA LEU 78 HA LEU 78 6.141 -0.902 -13.016 554 HB2 LEU 78 HB2 LEU 78 6.777 -1.271 -10.494 555 HB3 LEU 78 HB1 LEU 78 7.637 -0.106 -11.481 556 HG LEU 78 HG LEU 78 6.225 1.698 -10.530 557 HD11 LEU 78 HD11 LEU 78 5.146 0.832 -8.254 558 HD12 LEU 78 HD12 LEU 78 4.946 -0.627 -9.224 559 HD13 LEU 78 HD13 LEU 78 4.247 0.897 -9.770 560 HD21 LEU 78 HD21 LEU 78 7.139 1.152 -8.049 561 HD22 LEU 78 HD22 LEU 78 8.148 1.759 -9.361 562 HD23 LEU 78 HD23 LEU 78 8.111 0.033 -9.004 563 H GLU 79 HN GLU 79 5.961 -2.891 -11.298 564 HA GLU 79 HA GLU 79 3.134 -3.242 -10.603 565 HB2 GLU 79 HB2 GLU 79 3.300 -5.589 -11.575 566 HB3 GLU 79 HB1 GLU 79 3.183 -4.266 -12.727 567 HG2 GLU 79 HG2 GLU 79 5.920 -5.028 -12.008 568 HG3 GLU 79 HG1 GLU 79 4.997 -6.273 -12.848 569 H PHE 80 HN PHE 80 2.837 -4.201 -8.692 570 HA PHE 80 HA PHE 80 5.143 -5.001 -7.161 571 HB2 PHE 80 HB2 PHE 80 3.849 -4.667 -5.323 572 HB3 PHE 80 HB1 PHE 80 2.833 -3.790 -6.460 573 HD1 PHE 80 HD1 PHE 80 0.856 -4.976 -7.475 574 HD2 PHE 80 HD2 PHE 80 3.065 -6.562 -4.201 575 HE1 PHE 80 HE1 PHE 80 -1.024 -6.468 -6.935 576 HE2 PHE 80 HE2 PHE 80 1.189 -8.059 -3.655 577 HZ PHE 80 HZ PHE 80 -0.859 -8.013 -5.024 578 H VAL 81 HN VAL 81 5.487 -7.053 -6.219 579 HA VAL 81 HA VAL 81 4.269 -9.242 -7.754 580 HB VAL 81 HB VAL 81 6.207 -10.598 -6.879 581 HG11 VAL 81 HG11 VAL 81 6.202 -9.738 -9.140 582 HG12 VAL 81 HG12 VAL 81 7.827 -9.625 -8.463 583 HG13 VAL 81 HG13 VAL 81 6.818 -8.183 -8.579 584 HG21 VAL 81 HG21 VAL 81 8.068 -9.552 -5.874 585 HG22 VAL 81 HG22 VAL 81 6.661 -8.971 -4.986 586 HG23 VAL 81 HG23 VAL 81 7.431 -7.939 -6.191 587 H ARG 82 HN ARG 82 4.948 -8.117 -4.492 588 HA ARG 82 HA ARG 82 2.741 -9.282 -3.308 589 HB2 ARG 82 HB2 ARG 82 3.799 -11.141 -2.020 590 HB3 ARG 82 HB1 ARG 82 3.640 -11.456 -3.743 591 HG2 ARG 82 HG2 ARG 82 6.051 -10.513 -3.857 592 HG3 ARG 82 HG1 ARG 82 6.081 -10.904 -2.138 593 HD2 ARG 82 HD2 ARG 82 6.041 -13.145 -2.507 594 HD3 ARG 82 HD1 ARG 82 5.052 -12.995 -3.958 595 HE ARG 82 HE ARG 82 7.549 -11.934 -4.552 596 HH11 ARG 82 HH11 ARG 82 6.188 -15.023 -3.668 597 HH12 ARG 82 HH12 ARG 82 7.391 -15.936 -4.516 598 HH21 ARG 82 HH21 ARG 82 9.131 -13.133 -5.669 599 HH22 ARG 82 HH22 ARG 82 9.061 -14.863 -5.652 600 H VAL 83 HN VAL 83 2.863 -9.272 -0.889 601 HA VAL 83 HA VAL 83 4.456 -6.993 -0.056 602 HB VAL 83 HB VAL 83 3.074 -6.862 1.871 603 HG11 VAL 83 HG11 VAL 83 2.002 -6.908 -0.740 604 HG12 VAL 83 HG12 VAL 83 1.429 -6.002 0.660 605 HG13 VAL 83 HG13 VAL 83 0.793 -7.614 0.333 606 HG21 VAL 83 HG21 VAL 83 2.446 -9.705 1.251 607 HG22 VAL 83 HG22 VAL 83 1.224 -8.730 2.069 608 HG23 VAL 83 HG23 VAL 83 2.818 -8.940 2.796 609 H VAL 84 HN VAL 84 6.005 -7.000 1.518 610 HA VAL 84 HA VAL 84 6.884 -9.651 2.459 611 HB VAL 84 HB VAL 84 8.494 -8.624 0.932 612 HG11 VAL 84 HG11 VAL 84 8.734 -6.418 0.909 613 HG12 VAL 84 HG12 VAL 84 9.608 -6.541 2.436 614 HG13 VAL 84 HG13 VAL 84 7.867 -6.258 2.436 615 HG21 VAL 84 HG21 VAL 84 9.478 -8.608 3.784 616 HG22 VAL 84 HG22 VAL 84 10.470 -8.795 2.337 617 HG23 VAL 84 HG23 VAL 84 9.298 -10.040 2.770 618 H LYS 85 HN LYS 85 5.763 -6.567 3.415 619 HA LYS 85 HA LYS 85 6.111 -7.298 6.211 620 HB2 LYS 85 HB2 LYS 85 6.857 -4.508 5.389 621 HB3 LYS 85 HB1 LYS 85 7.218 -5.348 6.890 622 HG2 LYS 85 HG2 LYS 85 8.657 -6.902 5.444 623 HG3 LYS 85 HG1 LYS 85 8.521 -5.645 4.212 624 HD2 LYS 85 HD2 LYS 85 9.430 -4.011 5.819 625 HD3 LYS 85 HD1 LYS 85 9.620 -5.306 7.002 626 HE2 LYS 85 HE2 LYS 85 10.914 -6.382 4.895 627 HE3 LYS 85 HE1 LYS 85 11.217 -4.669 4.607 628 HZ1 LYS 85 HZ1 LYS 85 12.976 -5.370 5.939 629 HZ2 LYS 85 HZ2 LYS 85 11.987 -6.299 6.949 630 HZ3 LYS 85 HZ3 LYS 85 11.931 -4.610 7.032 631 H ALA 86 HN ALA 86 4.725 -6.115 7.650 632 HA ALA 86 HA ALA 86 2.766 -4.307 6.539 633 HB1 ALA 86 HB1 ALA 86 1.471 -6.064 5.894 634 HB2 ALA 86 HB2 ALA 86 0.939 -5.929 7.570 635 HB3 ALA 86 HB3 ALA 86 2.133 -7.147 7.119 636 H LYS 87 HN LYS 87 2.453 -2.799 8.022 637 HA LYS 87 HA LYS 87 2.376 -3.570 10.856 638 HB2 LYS 87 HB2 LYS 87 3.942 -1.281 9.656 639 HB3 LYS 87 HB1 LYS 87 3.603 -1.431 11.375 640 HG2 LYS 87 HG2 LYS 87 5.660 -2.382 11.325 641 HG3 LYS 87 HG1 LYS 87 4.685 -3.818 11.007 642 HD2 LYS 87 HD2 LYS 87 5.027 -3.479 8.587 643 HD3 LYS 87 HD1 LYS 87 6.059 -2.093 8.947 644 HE2 LYS 87 HE2 LYS 87 7.498 -3.938 8.556 645 HE3 LYS 87 HE1 LYS 87 7.500 -3.647 10.295 646 HZ1 LYS 87 HZ1 LYS 87 6.566 -5.623 10.704 647 HZ2 LYS 87 HZ2 LYS 87 7.093 -6.040 9.152 648 HZ3 LYS 87 HZ3 LYS 87 5.499 -5.526 9.393 649 H GLU 88 HN GLU 88 1.326 -1.925 12.232 650 HA GLU 88 HA GLU 88 -0.678 -0.382 10.717 651 HB2 GLU 88 HB2 GLU 88 -2.200 -0.767 12.672 652 HB3 GLU 88 HB1 GLU 88 -1.804 -2.216 11.758 653 HG2 GLU 88 HG2 GLU 88 0.121 -1.943 13.816 654 HG3 GLU 88 HG1 GLU 88 -1.474 -1.711 14.530 655 H GLN 89 HN GLN 89 -1.529 1.518 11.802 656 HA GLN 89 HA GLN 89 -0.019 2.598 14.026 657 HB2 GLN 89 HB2 GLN 89 1.060 3.106 11.626 658 HB3 GLN 89 HB1 GLN 89 -0.126 4.404 11.667 659 HG2 GLN 89 HG2 GLN 89 0.825 5.320 13.641 660 HG3 GLN 89 HG1 GLN 89 1.864 3.913 13.865 661 HE21 GLN 89 HE21 GLN 89 3.020 3.492 11.533 662 HE22 GLN 89 HE22 GLN 89 3.931 4.862 11.009 663 H VAL 90 HN VAL 90 -0.928 4.646 14.807 664 HA VAL 90 HA VAL 90 -3.733 5.006 13.973 665 HB VAL 90 HB VAL 90 -2.728 5.310 16.802 666 HG11 VAL 90 HG11 VAL 90 -4.646 6.625 16.553 667 HG12 VAL 90 HG12 VAL 90 -5.246 5.108 17.224 668 HG13 VAL 90 HG13 VAL 90 -5.429 5.444 15.502 669 HG21 VAL 90 HG21 VAL 90 -4.089 3.190 17.171 670 HG22 VAL 90 HG22 VAL 90 -2.527 3.006 16.375 671 HG23 VAL 90 HG23 VAL 90 -4.011 2.969 15.423 672 H VAL 91 HN VAL 91 -4.066 6.949 13.158 673 HA VAL 91 HA VAL 91 -3.145 9.322 14.493 674 HB VAL 91 HB VAL 91 -2.081 10.235 12.360 675 HG11 VAL 91 HG11 VAL 91 -0.003 9.761 13.177 676 HG12 VAL 91 HG12 VAL 91 -0.366 8.053 13.420 677 HG13 VAL 91 HG13 VAL 91 -0.979 9.255 14.556 678 HG21 VAL 91 HG21 VAL 91 -2.699 8.634 10.739 679 HG22 VAL 91 HG22 VAL 91 -2.111 7.295 11.725 680 HG23 VAL 91 HG23 VAL 91 -0.966 8.417 10.988 681 H SER 92 HN SER 92 -5.245 10.004 14.606 682 HA SER 92 HA SER 92 -7.186 10.989 13.946 683 HB2 SER 92 HB2 SER 92 -5.681 11.385 11.348 684 HB3 SER 92 HB1 SER 92 -7.199 12.176 11.771 685 HG SER 92 HG SER 92 -4.702 12.881 12.426 686 H GLY 93 HN GLY 93 -6.617 8.086 13.441 687 HA2 GLY 93 HA2 GLY 93 -8.979 7.131 12.607 688 HA3 GLY 93 HA1 GLY 93 -8.181 7.468 11.077 689 H MET 94 HN MET 94 -7.132 5.813 10.211 690 HA MET 94 HA MET 94 -5.677 3.960 11.928 691 HB2 MET 94 HB2 MET 94 -7.867 3.121 10.026 692 HB3 MET 94 HB1 MET 94 -6.667 2.009 10.669 693 HG2 MET 94 HG2 MET 94 -8.402 3.668 12.461 694 HG3 MET 94 HG1 MET 94 -8.933 2.113 11.823 695 HE1 MET 94 HE1 MET 94 -8.256 3.615 14.624 696 HE2 MET 94 HE2 MET 94 -6.499 3.733 14.720 697 HE3 MET 94 HE3 MET 94 -7.357 2.541 15.696 698 H MET 95 HN MET 95 -3.692 3.941 11.122 699 HA MET 95 HA MET 95 -3.344 4.154 8.207 700 HB2 MET 95 HB2 MET 95 -2.209 5.674 10.209 701 HB3 MET 95 HB1 MET 95 -0.944 4.507 9.848 702 HG2 MET 95 HG2 MET 95 -0.877 5.173 7.564 703 HG3 MET 95 HG1 MET 95 -2.317 6.170 7.754 704 HE1 MET 95 HE1 MET 95 -2.326 8.194 7.679 705 HE2 MET 95 HE2 MET 95 -0.915 9.237 7.505 706 HE3 MET 95 HE3 MET 95 -1.751 9.136 9.054 707 H HIS 96 HN HIS 96 -1.885 2.775 7.145 708 HA HIS 96 HA HIS 96 -0.944 0.461 8.691 709 HB2 HIS 96 HB2 HIS 96 -3.135 0.167 7.258 710 HB3 HIS 96 HB1 HIS 96 -1.996 0.050 5.921 711 HD1 HIS 96 HD1 HIS 96 -1.750 -1.445 9.410 712 HD2 HIS 96 HD2 HIS 96 -1.878 -2.611 5.424 713 HE1 HIS 96 HE1 HIS 96 -1.400 -3.935 9.426 714 HE2 HIS 96 HE2 HIS 96 -1.395 -4.606 6.998 715 H TYR 97 HN TYR 97 1.182 0.350 8.508 716 HA TYR 97 HA TYR 97 2.479 1.393 6.094 717 HB2 TYR 97 HB2 TYR 97 3.518 0.770 8.860 718 HB3 TYR 97 HB1 TYR 97 4.578 1.163 7.511 719 HD1 TYR 97 HD2 TYR 97 1.384 2.581 8.862 720 HD2 TYR 97 HD1 TYR 97 5.391 3.310 7.631 721 HE1 TYR 97 HE2 TYR 97 1.086 4.975 9.332 722 HE2 TYR 97 HE1 TYR 97 5.104 5.706 8.100 723 HH TYR 97 HH TYR 97 2.627 7.277 8.210 724 H LEU 98 HN LEU 98 2.257 -0.283 4.643 725 HA LEU 98 HA LEU 98 3.499 -2.843 5.411 726 HB2 LEU 98 HB2 LEU 98 2.109 -3.940 3.794 727 HB3 LEU 98 HB1 LEU 98 1.096 -2.978 4.854 728 HG LEU 98 HG LEU 98 1.897 -1.525 2.453 729 HD11 LEU 98 HD11 LEU 98 1.833 -3.736 1.448 730 HD12 LEU 98 HD12 LEU 98 0.456 -2.771 0.917 731 HD13 LEU 98 HD13 LEU 98 0.237 -4.021 2.141 732 HD21 LEU 98 HD21 LEU 98 -0.637 -2.128 3.936 733 HD22 LEU 98 HD22 LEU 98 -0.658 -1.312 2.372 734 HD23 LEU 98 HD23 LEU 98 0.192 -0.585 3.735 735 H THR 99 HN THR 99 5.044 -3.747 4.117 736 HA THR 99 HA THR 99 6.019 -2.064 1.904 737 HB THR 99 HB THR 99 7.747 -4.086 3.277 738 HG1 THR 99 HG1 THR 99 8.197 -2.711 4.905 739 HG21 THR 99 HG21 THR 99 8.311 -2.478 1.232 740 HG22 THR 99 HG22 THR 99 9.506 -2.952 2.439 741 HG23 THR 99 HG23 THR 99 8.701 -1.388 2.561 742 H VAL 100 HN VAL 100 6.323 -2.963 -0.080 743 HA VAL 100 HA VAL 100 6.050 -5.872 -0.331 744 HB VAL 100 HB VAL 100 4.422 -5.778 -2.031 745 HG11 VAL 100 HG11 VAL 100 3.711 -5.248 0.392 746 HG12 VAL 100 HG12 VAL 100 2.545 -4.995 -0.907 747 HG13 VAL 100 HG13 VAL 100 3.409 -3.621 -0.218 748 HG21 VAL 100 HG21 VAL 100 3.625 -3.169 -2.443 749 HG22 VAL 100 HG22 VAL 100 4.604 -4.143 -3.540 750 HG23 VAL 100 HG23 VAL 100 5.385 -3.056 -2.392 751 H GLU 101 HN GLU 101 6.756 -6.706 -2.431 752 HA GLU 101 HA GLU 101 9.102 -5.254 -3.354 753 HB2 GLU 101 HB2 GLU 101 8.148 -8.065 -3.477 754 HB3 GLU 101 HB1 GLU 101 9.179 -7.519 -4.792 755 HG2 GLU 101 HG2 GLU 101 10.860 -6.812 -3.119 756 HG3 GLU 101 HG1 GLU 101 9.840 -7.501 -1.857 757 H VAL 102 HN VAL 102 9.231 -4.200 -5.239 758 HA VAL 102 HA VAL 102 7.012 -4.540 -7.150 759 HB VAL 102 HB VAL 102 8.632 -2.027 -6.757 760 HG11 VAL 102 HG11 VAL 102 7.751 -1.930 -8.898 761 HG12 VAL 102 HG12 VAL 102 6.525 -1.101 -7.938 762 HG13 VAL 102 HG13 VAL 102 6.272 -2.773 -8.437 763 HG21 VAL 102 HG21 VAL 102 7.489 -1.913 -4.809 764 HG22 VAL 102 HG22 VAL 102 6.245 -3.041 -5.347 765 HG23 VAL 102 HG23 VAL 102 6.190 -1.356 -5.863 766 H ASN 103 HN ASN 103 7.465 -4.458 -9.357 767 HA ASN 103 HA ASN 103 10.309 -4.707 -10.078 768 HB2 ASN 103 HB2 ASN 103 9.195 -6.910 -10.112 769 HB3 ASN 103 HB1 ASN 103 8.001 -6.281 -11.243 770 HD21 ASN 103 HD21 ASN 103 11.208 -7.454 -10.826 771 HD22 ASN 103 HD22 ASN 103 11.647 -7.483 -12.497 772 H ASP 104 HN ASP 104 10.937 -3.853 -12.071 773 HA ASP 104 HA ASP 104 8.897 -2.322 -13.532 774 HB2 ASP 104 HB2 ASP 104 10.605 -1.073 -11.864 775 HB3 ASP 104 HB1 ASP 104 11.592 -1.104 -13.322 776 H ALA 105 HN ALA 105 8.917 -3.942 -15.132 777 HA ALA 105 HA ALA 105 9.600 -5.007 -17.028 778 HB1 ALA 105 HB1 ALA 105 9.704 -2.535 -17.636 779 HB2 ALA 105 HB2 ALA 105 10.594 -3.656 -18.667 780 HB3 ALA 105 HB3 ALA 105 11.453 -2.686 -17.470 781 H GLY 106 HN GLY 106 11.092 -5.585 -14.580 782 HA2 GLY 106 HA2 GLY 106 12.757 -7.459 -14.866 783 HA3 GLY 106 HA1 GLY 106 13.716 -6.279 -15.747 784 H LYS 107 HN LYS 107 13.230 -4.053 -14.048 785 HA LYS 107 HA LYS 107 15.228 -4.511 -12.086 786 HB2 LYS 107 HB2 LYS 107 13.481 -2.225 -12.862 787 HB3 LYS 107 HB1 LYS 107 14.247 -2.171 -11.280 788 HG2 LYS 107 HG2 LYS 107 16.381 -2.807 -12.744 789 HG3 LYS 107 HG1 LYS 107 15.438 -1.968 -13.978 790 HD2 LYS 107 HD2 LYS 107 15.652 -0.669 -11.322 791 HD3 LYS 107 HD1 LYS 107 17.106 -0.698 -12.322 792 HE2 LYS 107 HE2 LYS 107 14.613 0.084 -13.690 793 HE3 LYS 107 HE1 LYS 107 15.209 1.214 -12.474 794 HZ1 LYS 107 HZ1 LYS 107 17.107 1.631 -13.658 795 HZ2 LYS 107 HZ2 LYS 107 16.015 1.379 -14.925 796 HZ3 LYS 107 HZ3 LYS 107 17.080 0.147 -14.470 797 H LYS 108 HN LYS 108 14.878 -5.735 -10.352 798 HA LYS 108 HA LYS 108 12.255 -5.660 -9.046 799 HB2 LYS 108 HB2 LYS 108 13.162 -7.868 -9.662 800 HB3 LYS 108 HB1 LYS 108 14.567 -7.568 -8.647 801 HG2 LYS 108 HG2 LYS 108 13.383 -8.730 -7.136 802 HG3 LYS 108 HG1 LYS 108 12.605 -7.171 -6.852 803 HD2 LYS 108 HD2 LYS 108 11.156 -8.150 -8.949 804 HD3 LYS 108 HD1 LYS 108 11.538 -9.622 -8.055 805 HE2 LYS 108 HE2 LYS 108 9.764 -9.108 -6.795 806 HE3 LYS 108 HE1 LYS 108 10.811 -7.895 -6.058 807 HZ1 LYS 108 HZ1 LYS 108 8.548 -7.550 -7.803 808 HZ2 LYS 108 HZ2 LYS 108 9.892 -6.630 -8.258 809 HZ3 LYS 108 HZ3 LYS 108 9.243 -6.467 -6.705 810 H LYS 109 HN LYS 109 11.956 -4.866 -7.038 811 HA LYS 109 HA LYS 109 14.140 -4.471 -5.210 812 HB2 LYS 109 HB2 LYS 109 13.050 -2.226 -6.815 813 HB3 LYS 109 HB1 LYS 109 13.322 -1.915 -5.106 814 HG2 LYS 109 HG2 LYS 109 15.427 -1.462 -5.630 815 HG3 LYS 109 HG1 LYS 109 15.639 -3.186 -5.939 816 HD2 LYS 109 HD2 LYS 109 15.664 -2.911 -8.179 817 HD3 LYS 109 HD1 LYS 109 14.428 -1.653 -8.140 818 HE2 LYS 109 HE2 LYS 109 17.357 -1.336 -7.497 819 HE3 LYS 109 HE1 LYS 109 16.514 -0.715 -8.915 820 HZ1 LYS 109 HZ1 LYS 109 15.063 0.418 -7.048 821 HZ2 LYS 109 HZ2 LYS 109 16.487 1.129 -7.621 822 HZ3 LYS 109 HZ3 LYS 109 16.499 0.268 -6.165 823 H LEU 110 HN LEU 110 13.319 -3.200 -3.224 824 HA LEU 110 HA LEU 110 10.548 -4.042 -2.681 825 HB2 LEU 110 HB2 LEU 110 11.963 -5.372 -1.340 826 HB3 LEU 110 HB1 LEU 110 12.997 -4.016 -0.939 827 HG LEU 110 HG LEU 110 11.344 -3.096 0.540 828 HD11 LEU 110 HD11 LEU 110 9.556 -5.173 -0.668 829 HD12 LEU 110 HD12 LEU 110 9.287 -3.439 -0.487 830 HD13 LEU 110 HD13 LEU 110 9.223 -4.494 0.925 831 HD21 LEU 110 HD21 LEU 110 12.779 -5.179 1.166 832 HD22 LEU 110 HD22 LEU 110 11.222 -6.008 1.188 833 HD23 LEU 110 HD23 LEU 110 11.503 -4.630 2.252 834 H TYR 111 HN TYR 111 9.164 -2.430 -2.381 835 HA TYR 111 HA TYR 111 10.200 0.131 -1.353 836 HB2 TYR 111 HB2 TYR 111 7.828 -0.189 -3.195 837 HB3 TYR 111 HB1 TYR 111 8.610 1.310 -2.711 838 HD1 TYR 111 HD1 TYR 111 11.493 0.199 -3.059 839 HD2 TYR 111 HD2 TYR 111 8.043 0.176 -5.552 840 HE1 TYR 111 HE1 TYR 111 12.936 0.090 -5.046 841 HE2 TYR 111 HE2 TYR 111 9.478 0.065 -7.545 842 HH TYR 111 HH TYR 111 12.971 -0.304 -7.287 843 H GLU 112 HN GLU 112 9.018 1.210 0.191 844 HA GLU 112 HA GLU 112 7.029 -0.413 1.585 845 HB2 GLU 112 HB2 GLU 112 9.140 0.865 2.594 846 HB3 GLU 112 HB1 GLU 112 7.981 2.183 2.686 847 HG2 GLU 112 HG2 GLU 112 6.914 -0.321 3.701 848 HG3 GLU 112 HG1 GLU 112 8.357 0.210 4.561 849 H ALA 113 HN ALA 113 4.958 0.257 2.005 850 HA ALA 113 HA ALA 113 4.104 2.833 0.873 851 HB1 ALA 113 HB1 ALA 113 3.645 0.561 -0.479 852 HB2 ALA 113 HB2 ALA 113 2.551 1.944 -0.509 853 HB3 ALA 113 HB3 ALA 113 2.221 0.581 0.560 854 H LYS 114 HN LYS 114 2.760 3.968 2.149 855 HA LYS 114 HA LYS 114 1.518 2.552 4.416 856 HB2 LYS 114 HB2 LYS 114 1.761 4.718 5.686 857 HB3 LYS 114 HB1 LYS 114 3.258 3.855 5.363 858 HG2 LYS 114 HG2 LYS 114 3.273 5.435 3.242 859 HG3 LYS 114 HG1 LYS 114 2.288 6.444 4.301 860 HD2 LYS 114 HD2 LYS 114 4.524 7.123 4.657 861 HD3 LYS 114 HD1 LYS 114 4.095 6.129 6.049 862 HE2 LYS 114 HE2 LYS 114 6.257 5.439 5.391 863 HE3 LYS 114 HE1 LYS 114 5.151 4.186 4.833 864 HZ1 LYS 114 HZ1 LYS 114 5.177 5.410 2.637 865 HZ2 LYS 114 HZ2 LYS 114 6.595 4.590 3.055 866 HZ3 LYS 114 HZ3 LYS 114 6.508 6.270 3.230 867 H VAL 115 HN VAL 115 -0.610 2.571 4.330 868 HA VAL 115 HA VAL 115 -1.955 4.735 2.859 869 HB VAL 115 HB VAL 115 -3.118 2.051 3.604 870 HG11 VAL 115 HG11 VAL 115 -4.754 3.819 3.195 871 HG12 VAL 115 HG12 VAL 115 -4.803 2.596 1.925 872 HG13 VAL 115 HG13 VAL 115 -4.015 4.145 1.627 873 HG21 VAL 115 HG21 VAL 115 -2.801 1.624 1.093 874 HG22 VAL 115 HG22 VAL 115 -1.389 1.481 2.139 875 HG23 VAL 115 HG23 VAL 115 -1.617 2.930 1.159 876 H TRP 116 HN TRP 116 -3.817 5.715 3.731 877 HA TRP 116 HA TRP 116 -4.164 5.340 6.634 878 HB2 TRP 116 HB2 TRP 116 -2.978 7.442 6.116 879 HB3 TRP 116 HB1 TRP 116 -4.322 7.943 5.102 880 HD1 TRP 116 HD1 TRP 116 -4.261 6.586 8.747 881 HE1 TRP 116 HE1 TRP 116 -5.609 8.221 10.210 882 HE3 TRP 116 HE3 TRP 116 -5.471 10.051 5.189 883 HZ2 TRP 116 HZ2 TRP 116 -7.000 10.658 9.894 884 HZ3 TRP 116 HZ3 TRP 116 -6.814 12.004 5.851 885 HH2 TRP 116 HH2 TRP 116 -7.563 12.299 8.156 886 H GLU 117 HN GLU 117 -6.224 5.330 7.432 887 HA GLU 117 HA GLU 117 -8.466 6.018 5.731 888 HB2 GLU 117 HB2 GLU 117 -8.035 3.721 5.047 889 HB3 GLU 117 HB1 GLU 117 -8.043 3.194 6.724 890 HG2 GLU 117 HG2 GLU 117 -10.325 3.362 6.911 891 HG3 GLU 117 HG1 GLU 117 -10.451 4.551 5.616 892 H GLN 118 HN GLN 118 -10.003 6.940 6.928 893 HA GLN 118 HA GLN 118 -9.920 6.552 9.835 894 HB2 GLN 118 HB2 GLN 118 -11.400 8.750 8.417 895 HB3 GLN 118 HB1 GLN 118 -10.824 8.703 10.074 896 HG2 GLN 118 HG2 GLN 118 -9.055 9.853 9.422 897 HG3 GLN 118 HG1 GLN 118 -8.536 8.434 8.514 898 HE21 GLN 118 HE21 GLN 118 -9.991 11.564 8.358 899 HE22 GLN 118 HE22 GLN 118 -9.977 11.719 6.637 900 H VAL 119 HN VAL 119 -12.218 7.044 10.820 901 HA VAL 119 HA VAL 119 -14.166 5.381 9.359 902 HB VAL 119 HB VAL 119 -13.294 4.236 11.349 903 HG11 VAL 119 HG11 VAL 119 -14.451 6.558 12.888 904 HG12 VAL 119 HG12 VAL 119 -12.736 6.199 12.688 905 HG13 VAL 119 HG13 VAL 119 -13.770 5.089 13.587 906 HG21 VAL 119 HG21 VAL 119 -15.515 3.665 10.720 907 HG22 VAL 119 HG22 VAL 119 -16.170 5.123 11.465 908 HG23 VAL 119 HG23 VAL 119 -15.507 3.838 12.475 909 H TRP 120 HN TRP 120 -13.688 8.172 11.449 910 HA TRP 120 HA TRP 120 -16.493 8.889 11.374 911 HB2 TRP 120 HB2 TRP 120 -15.778 10.852 12.705 912 HB3 TRP 120 HB1 TRP 120 -15.250 9.329 13.414 913 HD1 TRP 120 HD1 TRP 120 -13.862 12.386 11.540 914 HE1 TRP 120 HE1 TRP 120 -11.331 12.526 11.981 915 HE3 TRP 120 HE3 TRP 120 -13.232 7.981 14.056 916 HZ2 TRP 120 HZ2 TRP 120 -9.331 10.973 13.228 917 HZ3 TRP 120 HZ3 TRP 120 -10.977 7.381 14.837 918 HH2 TRP 120 HH2 TRP 120 -9.068 8.847 14.428 919 H MET 121 HN MET 121 -13.644 9.545 9.560 920 HA MET 121 HA MET 121 -14.825 11.923 8.332 921 HB2 MET 121 HB2 MET 121 -12.472 12.062 9.014 922 HB3 MET 121 HB1 MET 121 -12.086 10.690 7.986 923 HG2 MET 121 HG2 MET 121 -11.907 11.968 6.182 924 HG3 MET 121 HG1 MET 121 -13.428 12.791 6.518 925 HE1 MET 121 HE1 MET 121 -10.293 15.227 5.848 926 HE2 MET 121 HE2 MET 121 -10.941 13.751 5.133 927 HE3 MET 121 HE3 MET 121 -9.542 13.671 6.204 928 H ASN 122 HN ASN 122 -14.220 8.576 7.753 929 HA ASN 122 HA ASN 122 -14.760 7.180 6.054 930 HB2 ASN 122 HB2 ASN 122 -16.579 9.497 5.595 931 HB3 ASN 122 HB1 ASN 122 -16.438 8.294 4.316 932 HD21 ASN 122 HD21 ASN 122 -16.517 8.130 7.861 933 HD22 ASN 122 HD22 ASN 122 -17.812 6.990 7.948 934 H PHE 123 HN PHE 123 -12.338 8.278 5.763 935 HA PHE 123 HA PHE 123 -12.145 8.644 2.858 936 HB2 PHE 123 HB2 PHE 123 -11.684 10.698 4.680 937 HB3 PHE 123 HB1 PHE 123 -10.073 10.111 4.283 938 HD1 PHE 123 HD2 PHE 123 -10.069 9.469 1.548 939 HD2 PHE 123 HD1 PHE 123 -12.204 12.587 3.503 940 HE1 PHE 123 HE2 PHE 123 -10.121 10.746 -0.555 941 HE2 PHE 123 HE1 PHE 123 -12.262 13.869 1.404 942 HZ PHE 123 HZ PHE 123 -11.219 12.949 -0.628 943 H ARG 124 HN ARG 124 -10.506 7.552 1.893 944 HA ARG 124 HA ARG 124 -8.373 6.411 3.515 945 HB2 ARG 124 HB2 ARG 124 -8.772 4.148 2.482 946 HB3 ARG 124 HB1 ARG 124 -9.972 4.651 3.664 947 HG2 ARG 124 HG2 ARG 124 -10.469 5.198 0.780 948 HG3 ARG 124 HG1 ARG 124 -10.692 3.562 1.402 949 HD2 ARG 124 HD2 ARG 124 -12.497 4.137 2.656 950 HD3 ARG 124 HD1 ARG 124 -11.896 5.765 2.968 951 HE ARG 124 HE ARG 124 -12.510 5.755 0.306 952 HH11 ARG 124 HH11 ARG 124 -14.264 5.062 3.243 953 HH12 ARG 124 HH12 ARG 124 -15.790 5.568 2.599 954 HH21 ARG 124 HH21 ARG 124 -14.516 6.421 -0.542 955 HH22 ARG 124 HH22 ARG 124 -15.933 6.339 0.450 956 H GLN 125 HN GLN 125 -6.499 6.616 2.482 957 HA GLN 125 HA GLN 125 -6.236 6.134 -0.331 958 HB2 GLN 125 HB2 GLN 125 -5.492 8.352 -0.988 959 HB3 GLN 125 HB1 GLN 125 -7.133 8.429 -0.362 960 HG2 GLN 125 HG2 GLN 125 -4.758 9.017 1.368 961 HG3 GLN 125 HG1 GLN 125 -5.498 10.249 0.347 962 HE21 GLN 125 HE21 GLN 125 -5.392 10.600 3.041 963 HE22 GLN 125 HE22 GLN 125 -6.977 10.472 3.718 964 H LEU 126 HN LEU 126 -3.922 6.742 -1.056 965 HA LEU 126 HA LEU 126 -2.119 5.535 0.824 966 HB2 LEU 126 HB2 LEU 126 -1.893 4.983 -1.503 967 HB3 LEU 126 HB1 LEU 126 -1.722 6.672 -1.940 968 HG LEU 126 HG LEU 126 0.314 5.808 -0.039 969 HD11 LEU 126 HD11 LEU 126 -0.242 4.142 -2.390 970 HD12 LEU 126 HD12 LEU 126 0.658 3.772 -0.920 971 HD13 LEU 126 HD13 LEU 126 1.433 4.668 -2.226 972 HD21 LEU 126 HD21 LEU 126 0.194 7.906 -1.482 973 HD22 LEU 126 HD22 LEU 126 0.678 6.869 -2.825 974 HD23 LEU 126 HD23 LEU 126 1.737 7.053 -1.427 975 H GLN 127 HN GLN 127 -0.468 6.465 1.954 976 HA GLN 127 HA GLN 127 -0.563 9.378 2.173 977 HB2 GLN 127 HB2 GLN 127 0.084 7.160 3.984 978 HB3 GLN 127 HB1 GLN 127 1.173 8.532 4.123 979 HG2 GLN 127 HG2 GLN 127 -0.836 8.510 5.654 980 HG3 GLN 127 HG1 GLN 127 -0.556 9.988 4.735 981 HE21 GLN 127 HE21 GLN 127 -1.940 6.972 3.560 982 HE22 GLN 127 HE22 GLN 127 -3.499 7.618 3.190 983 H GLU 128 HN GLU 128 2.016 6.899 2.231 984 HA GLU 128 HA GLU 128 3.576 8.545 0.397 985 HB2 GLU 128 HB2 GLU 128 5.000 7.510 2.810 986 HB3 GLU 128 HB1 GLU 128 5.419 8.853 1.759 987 HG2 GLU 128 HG2 GLU 128 3.055 8.922 3.608 988 HG3 GLU 128 HG1 GLU 128 4.669 9.434 4.096 989 H PHE 129 HN PHE 129 5.392 7.448 -0.533 990 HA PHE 129 HA PHE 129 5.419 4.535 -0.228 991 HB2 PHE 129 HB2 PHE 129 3.998 5.485 -2.244 992 HB3 PHE 129 HB1 PHE 129 5.582 5.680 -2.988 993 HD1 PHE 129 HD2 PHE 129 6.953 3.736 -3.522 994 HD2 PHE 129 HD1 PHE 129 3.053 3.314 -1.873 995 HE1 PHE 129 HE2 PHE 129 6.931 1.369 -4.190 996 HE2 PHE 129 HE1 PHE 129 3.025 0.945 -2.537 997 HZ PHE 129 HZ PHE 129 4.966 -0.031 -3.698 998 H THR 130 HN THR 130 7.437 4.203 0.477 999 HA THR 130 HA THR 130 9.627 5.782 -0.657 1000 HB THR 130 HB THR 130 10.923 5.154 1.231 1001 HG1 THR 130 HG1 THR 130 10.459 2.978 1.367 1002 HG21 THR 130 HG21 THR 130 8.570 6.488 1.602 1003 HG22 THR 130 HG22 THR 130 9.853 6.314 2.799 1004 HG23 THR 130 HG23 THR 130 8.479 5.209 2.812 1005 H TYR 131 HN TYR 131 11.526 4.795 -1.457 1006 HA TYR 131 HA TYR 131 11.077 2.071 -2.473 1007 HB2 TYR 131 HB2 TYR 131 12.757 2.702 -4.232 1008 HB3 TYR 131 HB1 TYR 131 11.263 3.631 -4.284 1009 HD1 TYR 131 HD1 TYR 131 11.244 5.981 -3.477 1010 HD2 TYR 131 HD2 TYR 131 14.854 3.754 -3.808 1011 HE1 TYR 131 HE1 TYR 131 12.536 8.070 -3.372 1012 HE2 TYR 131 HE2 TYR 131 16.156 5.837 -3.704 1013 HH TYR 131 HH TYR 131 15.777 8.272 -4.200 1014 H LEU 132 HN LEU 132 12.096 0.630 -1.239 1015 HA LEU 132 HA LEU 132 14.600 1.311 0.067 1016 HB2 LEU 132 HB2 LEU 132 13.384 -1.411 0.205 1017 HB3 LEU 132 HB1 LEU 132 14.277 -0.529 1.429 1018 HG LEU 132 HG LEU 132 11.419 -0.045 0.590 1019 HD11 LEU 132 HD11 LEU 132 12.734 -1.480 2.810 1020 HD12 LEU 132 HD12 LEU 132 11.180 -1.771 2.029 1021 HD13 LEU 132 HD13 LEU 132 11.338 -0.487 3.228 1022 HD21 LEU 132 HD21 LEU 132 12.374 2.086 1.067 1023 HD22 LEU 132 HD22 LEU 132 13.196 1.463 2.498 1024 HD23 LEU 132 HD23 LEU 132 11.438 1.598 2.480 1025 H GLY 133 HN GLY 133 16.224 -0.656 0.112 1026 HA2 GLY 133 HA2 GLY 133 17.375 -0.817 -2.441 1027 HA3 GLY 133 HA1 GLY 133 17.822 -1.810 -1.063 1028 H ASP 134 HN ASP 134 16.535 -3.750 -0.658 1029 HA ASP 134 HA ASP 134 14.726 -4.741 -2.615 1030 HB2 ASP 134 HB2 ASP 134 16.127 -6.540 -3.527 1031 HB3 ASP 134 HB1 ASP 134 16.785 -4.957 -3.929 1032 H ALA 135 HN ALA 135 13.914 -6.850 -2.095 1033 HA ALA 135 HA ALA 135 14.228 -7.464 0.742 1034 HB1 ALA 135 HB1 ALA 135 12.152 -8.551 0.636 1035 HB2 ALA 135 HB2 ALA 135 12.234 -8.722 -1.117 1036 HB3 ALA 135 HB3 ALA 135 11.971 -7.134 -0.398 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 12.129 1.142 18.899 2 H2 MET 1 HT2 MET 1 10.634 0.591 19.536 3 H3 MET 1 HT3 MET 1 10.782 2.200 18.958 4 HA MET 1 HA MET 1 10.885 -0.290 17.398 5 HB2 MET 1 HB2 MET 1 8.813 1.514 18.212 6 HB3 MET 1 HB1 MET 1 9.007 1.630 16.469 7 HG2 MET 1 HG2 MET 1 8.213 -0.442 16.103 8 HG3 MET 1 HG1 MET 1 8.941 -1.098 17.568 9 HE1 MET 1 HE1 MET 1 6.492 -1.581 19.906 10 HE2 MET 1 HE2 MET 1 7.180 -0.010 20.318 11 HE3 MET 1 HE3 MET 1 8.194 -1.251 19.581 12 H ALA 2 HN ALA 2 10.268 0.737 14.987 13 HA ALA 2 HA ALA 2 12.716 1.676 14.010 14 HB1 ALA 2 HB1 ALA 2 11.068 2.360 12.009 15 HB2 ALA 2 HB2 ALA 2 10.009 1.266 12.899 16 HB3 ALA 2 HB3 ALA 2 11.575 0.699 12.318 17 H ASP 3 HN ASP 3 9.628 3.437 14.331 18 HA ASP 3 HA ASP 3 9.153 5.649 14.552 19 HB2 ASP 3 HB2 ASP 3 11.987 5.898 15.578 20 HB3 ASP 3 HB1 ASP 3 10.656 7.011 15.875 21 H GLU 4 HN GLU 4 9.067 5.769 12.219 22 HA GLU 4 HA GLU 4 11.206 7.474 11.133 23 HB2 GLU 4 HB2 GLU 4 10.643 6.392 8.887 24 HB3 GLU 4 HB1 GLU 4 11.565 5.427 10.031 25 HG2 GLU 4 HG2 GLU 4 9.319 4.444 10.741 26 HG3 GLU 4 HG1 GLU 4 8.681 5.170 9.266 27 H GLN 5 HN GLN 5 7.833 6.436 10.744 28 HA GLN 5 HA GLN 5 6.984 9.171 10.431 29 HB2 GLN 5 HB2 GLN 5 6.832 7.218 8.137 30 HB3 GLN 5 HB1 GLN 5 5.793 8.633 8.244 31 HG2 GLN 5 HG2 GLN 5 8.794 8.594 8.051 32 HG3 GLN 5 HG1 GLN 5 7.650 9.131 6.822 33 HE21 GLN 5 HE21 GLN 5 9.741 10.711 7.753 34 HE22 GLN 5 HE22 GLN 5 9.081 12.062 8.604 35 HA PRO 6 HA PRO 6 3.959 5.978 12.186 36 HB2 PRO 6 HB2 PRO 6 3.979 6.822 14.760 37 HB3 PRO 6 HB1 PRO 6 5.107 5.608 14.145 38 HG2 PRO 6 HG2 PRO 6 5.536 8.537 14.594 39 HG3 PRO 6 HG1 PRO 6 6.610 7.177 14.974 40 HD2 PRO 6 HD2 PRO 6 6.937 8.733 12.777 41 HD3 PRO 6 HD1 PRO 6 7.375 7.013 12.808 42 H LYS 7 HN LYS 7 4.380 9.372 13.194 43 HA LYS 7 HA LYS 7 1.566 9.846 12.502 44 HB2 LYS 7 HB2 LYS 7 1.879 9.575 14.992 45 HB3 LYS 7 HB1 LYS 7 2.884 11.017 14.953 46 HG2 LYS 7 HG2 LYS 7 0.160 11.175 13.780 47 HG3 LYS 7 HG1 LYS 7 0.320 11.131 15.537 48 HD2 LYS 7 HD2 LYS 7 2.154 12.978 15.048 49 HD3 LYS 7 HD1 LYS 7 1.178 13.215 13.597 50 HE2 LYS 7 HE2 LYS 7 -0.083 13.111 16.314 51 HE3 LYS 7 HE1 LYS 7 0.626 14.603 15.698 52 HZ1 LYS 7 HZ1 LYS 7 -1.444 13.051 14.246 53 HZ2 LYS 7 HZ2 LYS 7 -0.876 14.601 13.876 54 HZ3 LYS 7 HZ3 LYS 7 -1.796 14.350 15.272 55 H LYS 8 HN LYS 8 1.362 11.467 11.115 56 HA LYS 8 HA LYS 8 2.637 13.955 11.332 57 HB2 LYS 8 HB2 LYS 8 4.173 13.877 9.433 58 HB3 LYS 8 HB1 LYS 8 4.646 12.715 10.665 59 HG2 LYS 8 HG2 LYS 8 4.190 10.921 9.351 60 HG3 LYS 8 HG1 LYS 8 2.892 11.746 8.484 61 HD2 LYS 8 HD2 LYS 8 5.582 12.866 8.077 62 HD3 LYS 8 HD1 LYS 8 5.345 11.235 7.446 63 HE2 LYS 8 HE2 LYS 8 3.626 13.637 6.832 64 HE3 LYS 8 HE1 LYS 8 4.839 12.936 5.761 65 HZ1 LYS 8 HZ1 LYS 8 2.213 11.865 6.541 66 HZ2 LYS 8 HZ2 LYS 8 3.443 10.798 6.082 67 HZ3 LYS 8 HZ3 LYS 8 2.907 11.984 5.002 68 HA PRO 9 HA PRO 9 -0.509 15.310 8.580 69 HB2 PRO 9 HB2 PRO 9 1.606 16.574 6.901 70 HB3 PRO 9 HB1 PRO 9 0.144 17.286 7.594 71 HG2 PRO 9 HG2 PRO 9 2.529 17.780 8.666 72 HG3 PRO 9 HG1 PRO 9 1.103 17.539 9.692 73 HD2 PRO 9 HD2 PRO 9 3.369 15.682 9.128 74 HD3 PRO 9 HD1 PRO 9 2.442 15.912 10.624 75 H VAL 10 HN VAL 10 -1.417 14.976 6.493 76 HA VAL 10 HA VAL 10 0.103 13.166 4.739 77 HB VAL 10 HB VAL 10 -1.751 11.721 4.420 78 HG11 VAL 10 HG11 VAL 10 -0.462 11.330 6.466 79 HG12 VAL 10 HG12 VAL 10 -2.144 10.830 6.646 80 HG13 VAL 10 HG13 VAL 10 -1.591 12.343 7.365 81 HG21 VAL 10 HG21 VAL 10 -3.631 13.087 4.285 82 HG22 VAL 10 HG22 VAL 10 -3.322 13.832 5.854 83 HG23 VAL 10 HG23 VAL 10 -3.900 12.168 5.767 84 HA PRO 11 HA PRO 11 -1.260 15.759 1.441 85 HB2 PRO 11 HB2 PRO 11 -1.326 14.043 -0.639 86 HB3 PRO 11 HB1 PRO 11 0.189 14.546 0.119 87 HG2 PRO 11 HG2 PRO 11 -1.374 12.023 0.503 88 HG3 PRO 11 HG1 PRO 11 0.377 12.239 0.334 89 HD2 PRO 11 HD2 PRO 11 -0.864 11.894 2.737 90 HD3 PRO 11 HD1 PRO 11 0.644 12.807 2.544 91 H ALA 12 HN ALA 12 -2.819 15.369 -0.691 92 HA ALA 12 HA ALA 12 -5.332 14.155 0.162 93 HB1 ALA 12 HB1 ALA 12 -5.109 17.068 -0.591 94 HB2 ALA 12 HB2 ALA 12 -5.480 16.429 1.010 95 HB3 ALA 12 HB3 ALA 12 -6.614 16.190 -0.319 96 H ALA 13 HN ALA 13 -6.047 12.971 -1.473 97 HA ALA 13 HA ALA 13 -6.440 13.947 -4.083 98 HB1 ALA 13 HB1 ALA 13 -4.775 12.837 -5.352 99 HB2 ALA 13 HB2 ALA 13 -4.186 11.958 -3.940 100 HB3 ALA 13 HB3 ALA 13 -3.931 13.699 -4.065 101 H GLU 14 HN GLU 14 -7.225 12.253 -5.574 102 HA GLU 14 HA GLU 14 -7.725 9.613 -4.661 103 HB2 GLU 14 HB2 GLU 14 -9.785 11.699 -4.167 104 HB3 GLU 14 HB1 GLU 14 -10.345 10.144 -4.767 105 HG2 GLU 14 HG2 GLU 14 -8.660 9.382 -2.774 106 HG3 GLU 14 HG1 GLU 14 -9.313 10.890 -2.135 107 H GLU 15 HN GLU 15 -7.234 8.794 -6.616 108 HA GLU 15 HA GLU 15 -9.134 8.803 -8.681 109 HB2 GLU 15 HB2 GLU 15 -7.808 11.139 -8.776 110 HB3 GLU 15 HB1 GLU 15 -6.707 10.151 -9.726 111 HG2 GLU 15 HG2 GLU 15 -8.143 9.965 -11.456 112 HG3 GLU 15 HG1 GLU 15 -9.566 9.950 -10.416 113 H ALA 16 HN ALA 16 -7.957 7.984 -10.839 114 HA ALA 16 HA ALA 16 -5.777 6.157 -10.142 115 HB1 ALA 16 HB1 ALA 16 -8.533 5.385 -10.853 116 HB2 ALA 16 HB2 ALA 16 -7.322 4.528 -9.900 117 HB3 ALA 16 HB3 ALA 16 -7.246 4.491 -11.662 118 HA PRO 17 HA PRO 17 -4.225 7.050 -14.166 119 HB2 PRO 17 HB2 PRO 17 -3.239 4.675 -15.022 120 HB3 PRO 17 HB1 PRO 17 -2.480 5.616 -13.733 121 HG2 PRO 17 HG2 PRO 17 -4.308 3.253 -13.530 122 HG3 PRO 17 HG1 PRO 17 -2.826 3.602 -12.620 123 HD2 PRO 17 HD2 PRO 17 -5.302 4.035 -11.605 124 HD3 PRO 17 HD1 PRO 17 -3.902 5.039 -11.176 125 H ALA 18 HN ALA 18 -4.837 7.140 -16.286 126 HA ALA 18 HA ALA 18 -7.252 5.656 -17.000 127 HB1 ALA 18 HB1 ALA 18 -7.401 8.037 -17.278 128 HB2 ALA 18 HB2 ALA 18 -7.401 7.282 -18.873 129 HB3 ALA 18 HB3 ALA 18 -5.939 8.057 -18.264 130 H ALA 19 HN ALA 19 -6.565 3.654 -17.646 131 HA ALA 19 HA ALA 19 -5.083 3.578 -20.168 132 HB1 ALA 19 HB1 ALA 19 -4.414 1.581 -18.040 133 HB2 ALA 19 HB2 ALA 19 -3.590 3.138 -18.108 134 HB3 ALA 19 HB3 ALA 19 -3.495 2.030 -19.476 135 H GLU 20 HN GLU 20 -4.993 1.009 -20.756 136 HA GLU 20 HA GLU 20 -7.510 -0.293 -20.131 137 HB2 GLU 20 HB2 GLU 20 -7.764 1.357 -22.139 138 HB3 GLU 20 HB1 GLU 20 -6.894 0.121 -23.036 139 HG2 GLU 20 HG2 GLU 20 -8.636 -1.317 -23.021 140 HG3 GLU 20 HG1 GLU 20 -9.202 -0.789 -21.437 141 H ALA 21 HN ALA 21 -6.983 -2.326 -19.721 142 HA ALA 21 HA ALA 21 -5.984 -4.369 -19.804 143 HB1 ALA 21 HB1 ALA 21 -6.773 -4.751 -21.945 144 HB2 ALA 21 HB2 ALA 21 -5.036 -4.988 -22.138 145 HB3 ALA 21 HB3 ALA 21 -5.782 -3.474 -22.650 146 H GLU 22 HN GLU 22 -3.773 -5.460 -20.627 147 HA GLU 22 HA GLU 22 -1.520 -3.659 -20.552 148 HB2 GLU 22 HB2 GLU 22 -2.426 -4.242 -18.118 149 HB3 GLU 22 HB1 GLU 22 -1.479 -5.700 -18.382 150 HG2 GLU 22 HG2 GLU 22 0.107 -4.411 -17.410 151 HG3 GLU 22 HG1 GLU 22 0.362 -3.941 -19.090 152 H ALA 23 HN ALA 23 0.486 -4.703 -21.004 153 HA ALA 23 HA ALA 23 0.161 -7.061 -22.635 154 HB1 ALA 23 HB1 ALA 23 2.513 -5.278 -22.051 155 HB2 ALA 23 HB2 ALA 23 1.569 -5.386 -23.537 156 HB3 ALA 23 HB3 ALA 23 2.625 -6.717 -23.064 157 H GLU 24 HN GLU 24 2.497 -6.254 -20.058 158 HA GLU 24 HA GLU 24 2.245 -9.013 -19.077 159 HB2 GLU 24 HB2 GLU 24 4.377 -8.362 -20.508 160 HB3 GLU 24 HB1 GLU 24 4.912 -7.678 -18.979 161 HG2 GLU 24 HG2 GLU 24 5.801 -9.833 -19.017 162 HG3 GLU 24 HG1 GLU 24 4.394 -9.947 -17.961 163 H GLU 25 HN GLU 25 1.776 -9.092 -16.986 164 HA GLU 25 HA GLU 25 2.877 -7.131 -15.147 165 HB2 GLU 25 HB2 GLU 25 0.631 -6.656 -14.164 166 HB3 GLU 25 HB1 GLU 25 0.852 -6.008 -15.784 167 HG2 GLU 25 HG2 GLU 25 -0.597 -7.531 -16.736 168 HG3 GLU 25 HG1 GLU 25 -0.431 -8.676 -15.406 169 H GLU 26 HN GLU 26 3.320 -8.004 -13.208 170 HA GLU 26 HA GLU 26 3.042 -10.797 -12.823 171 HB2 GLU 26 HB2 GLU 26 4.109 -8.517 -11.235 172 HB3 GLU 26 HB1 GLU 26 3.731 -10.001 -10.372 173 HG2 GLU 26 HG2 GLU 26 5.335 -10.249 -12.845 174 HG3 GLU 26 HG1 GLU 26 6.114 -9.520 -11.441 175 H GLU 27 HN GLU 27 0.824 -11.259 -12.924 176 HA GLU 27 HA GLU 27 -0.841 -10.183 -10.761 177 HB2 GLU 27 HB2 GLU 27 -2.749 -11.021 -12.024 178 HB3 GLU 27 HB1 GLU 27 -1.743 -9.999 -13.040 179 HG2 GLU 27 HG2 GLU 27 -1.014 -11.757 -14.327 180 HG3 GLU 27 HG1 GLU 27 -1.318 -12.947 -13.062 181 H GLY 28 HN GLY 28 -2.640 -11.995 -10.203 182 HA2 GLY 28 HA2 GLY 28 -1.566 -14.654 -9.945 183 HA3 GLY 28 HA1 GLY 28 -1.548 -13.755 -8.436 184 H LEU 29 HN LEU 29 -3.910 -12.337 -8.621 185 HA LEU 29 HA LEU 29 -5.876 -14.517 -8.461 186 HB2 LEU 29 HB2 LEU 29 -5.519 -11.946 -6.994 187 HB3 LEU 29 HB1 LEU 29 -7.144 -12.577 -7.184 188 HG LEU 29 HG LEU 29 -6.271 -13.273 -5.052 189 HD11 LEU 29 HD11 LEU 29 -7.573 -14.877 -6.633 190 HD12 LEU 29 HD12 LEU 29 -6.849 -15.502 -5.151 191 HD13 LEU 29 HD13 LEU 29 -6.043 -15.752 -6.700 192 HD21 LEU 29 HD21 LEU 29 -4.096 -14.859 -6.336 193 HD22 LEU 29 HD22 LEU 29 -4.225 -14.257 -4.684 194 HD23 LEU 29 HD23 LEU 29 -3.839 -13.147 -5.999 195 H HIS 30 HN HIS 30 -8.233 -13.401 -8.655 196 HA HIS 30 HA HIS 30 -8.256 -11.740 -11.076 197 HB2 HIS 30 HB2 HIS 30 -9.693 -14.356 -10.652 198 HB3 HIS 30 HB1 HIS 30 -10.231 -13.179 -11.845 199 HD1 HIS 30 HD1 HIS 30 -9.148 -16.061 -12.528 200 HD2 HIS 30 HD2 HIS 30 -6.964 -12.532 -12.733 201 HE1 HIS 30 HE1 HIS 30 -7.286 -16.517 -14.155 202 HE2 HIS 30 HE2 HIS 30 -5.928 -14.395 -14.198 203 H LEU 31 HN LEU 31 -8.820 -9.995 -9.704 204 HA LEU 31 HA LEU 31 -11.636 -9.696 -9.333 205 HB2 LEU 31 HB2 LEU 31 -11.162 -10.952 -7.309 206 HB3 LEU 31 HB1 LEU 31 -9.874 -9.839 -6.887 207 HG LEU 31 HG LEU 31 -12.662 -8.802 -7.204 208 HD11 LEU 31 HD11 LEU 31 -12.574 -9.189 -4.560 209 HD12 LEU 31 HD12 LEU 31 -11.673 -10.610 -5.088 210 HD13 LEU 31 HD13 LEU 31 -13.313 -10.337 -5.677 211 HD21 LEU 31 HD21 LEU 31 -11.237 -7.039 -6.858 212 HD22 LEU 31 HD22 LEU 31 -10.133 -7.983 -5.858 213 HD23 LEU 31 HD23 LEU 31 -11.673 -7.434 -5.196 214 H GLU 32 HN GLU 32 -12.190 -7.598 -9.480 215 HA GLU 32 HA GLU 32 -10.103 -5.574 -9.033 216 HB2 GLU 32 HB2 GLU 32 -10.828 -6.286 -11.525 217 HB3 GLU 32 HB1 GLU 32 -12.057 -5.070 -11.206 218 HG2 GLU 32 HG2 GLU 32 -10.538 -3.629 -11.966 219 HG3 GLU 32 HG1 GLU 32 -9.810 -3.794 -10.369 220 H ASP 33 HN ASP 33 -13.540 -5.625 -9.987 221 HA ASP 33 HA ASP 33 -15.367 -4.563 -9.147 222 HB2 ASP 33 HB2 ASP 33 -13.729 -5.028 -6.677 223 HB3 ASP 33 HB1 ASP 33 -15.222 -4.099 -6.579 224 H ASP 34 HN ASP 34 -13.351 -2.974 -10.366 225 HA ASP 34 HA ASP 34 -12.833 -0.790 -10.725 226 HB2 ASP 34 HB2 ASP 34 -15.317 -0.639 -9.098 227 HB3 ASP 34 HB1 ASP 34 -14.375 0.841 -9.259 228 H GLN 35 HN GLN 35 -10.976 0.017 -10.034 229 HA GLN 35 HA GLN 35 -9.306 0.774 -8.689 230 HB2 GLN 35 HB2 GLN 35 -11.753 1.443 -7.101 231 HB3 GLN 35 HB1 GLN 35 -10.168 1.668 -6.373 232 HG2 GLN 35 HG2 GLN 35 -10.609 3.742 -7.268 233 HG3 GLN 35 HG1 GLN 35 -9.626 2.990 -8.523 234 HE21 GLN 35 HE21 GLN 35 -10.620 2.291 -10.434 235 HE22 GLN 35 HE22 GLN 35 -12.166 2.889 -10.922 236 H GLU 36 HN GLU 36 -8.519 0.553 -6.203 237 HA GLU 36 HA GLU 36 -8.774 -2.314 -5.571 238 HB2 GLU 36 HB2 GLU 36 -6.422 -0.446 -5.260 239 HB3 GLU 36 HB1 GLU 36 -6.481 -2.052 -4.547 240 HG2 GLU 36 HG2 GLU 36 -6.707 -1.468 -7.490 241 HG3 GLU 36 HG1 GLU 36 -5.231 -1.967 -6.666 242 HA PRO 37 HA PRO 37 -10.821 -0.166 -2.026 243 HB2 PRO 37 HB2 PRO 37 -11.526 -3.033 -1.608 244 HB3 PRO 37 HB1 PRO 37 -12.547 -1.595 -1.498 245 HG2 PRO 37 HG2 PRO 37 -12.711 -3.212 -3.604 246 HG3 PRO 37 HG1 PRO 37 -12.826 -1.453 -3.797 247 HD2 PRO 37 HD2 PRO 37 -10.551 -3.285 -4.409 248 HD3 PRO 37 HD1 PRO 37 -11.084 -1.820 -5.260 249 H ARG 38 HN ARG 38 -10.895 -1.104 0.366 250 HA ARG 38 HA ARG 38 -8.315 -2.354 1.000 251 HB2 ARG 38 HB2 ARG 38 -8.193 -0.722 2.967 252 HB3 ARG 38 HB1 ARG 38 -7.810 -0.089 1.372 253 HG2 ARG 38 HG2 ARG 38 -9.163 1.514 2.490 254 HG3 ARG 38 HG1 ARG 38 -10.148 0.767 1.230 255 HD2 ARG 38 HD2 ARG 38 -11.329 -0.547 2.798 256 HD3 ARG 38 HD1 ARG 38 -10.172 -0.191 4.079 257 HE ARG 38 HE ARG 38 -11.197 2.243 3.370 258 HH11 ARG 38 HH11 ARG 38 -12.547 -0.780 4.474 259 HH12 ARG 38 HH12 ARG 38 -13.896 -0.033 5.262 260 HH21 ARG 38 HH21 ARG 38 -12.971 3.227 4.407 261 HH22 ARG 38 HH22 ARG 38 -14.137 2.241 5.224 262 H GLU 39 HN GLU 39 -8.324 -2.615 3.596 263 HA GLU 39 HA GLU 39 -10.930 -3.786 4.316 264 HB2 GLU 39 HB2 GLU 39 -8.837 -5.323 3.697 265 HB3 GLU 39 HB1 GLU 39 -8.439 -5.016 5.382 266 HG2 GLU 39 HG2 GLU 39 -10.076 -6.339 6.142 267 HG3 GLU 39 HG1 GLU 39 -11.221 -5.801 4.914 268 H HIS 40 HN HIS 40 -10.754 -4.424 6.818 269 HA HIS 40 HA HIS 40 -9.972 -1.939 8.179 270 HB2 HIS 40 HB2 HIS 40 -12.192 -3.881 8.545 271 HB3 HIS 40 HB1 HIS 40 -11.544 -3.125 9.996 272 HD1 HIS 40 HD1 HIS 40 -12.934 -1.194 10.628 273 HD2 HIS 40 HD2 HIS 40 -12.623 -1.572 6.502 274 HE1 HIS 40 HE1 HIS 40 -14.243 0.731 9.676 275 HE2 HIS 40 HE2 HIS 40 -13.967 0.531 7.180 276 HA PRO 41 HA PRO 41 -6.868 -4.940 9.765 277 HB2 PRO 41 HB2 PRO 41 -4.944 -3.074 10.201 278 HB3 PRO 41 HB1 PRO 41 -5.209 -3.829 8.626 279 HG2 PRO 41 HG2 PRO 41 -6.130 -1.162 9.627 280 HG3 PRO 41 HG1 PRO 41 -5.443 -1.588 8.048 281 HD2 PRO 41 HD2 PRO 41 -8.101 -1.263 8.436 282 HD3 PRO 41 HD1 PRO 41 -7.444 -2.420 7.261 283 H ILE 42 HN ILE 42 -6.035 -5.236 11.868 284 HA ILE 42 HA ILE 42 -7.610 -4.028 13.936 285 HB ILE 42 HB ILE 42 -6.962 -6.398 14.036 286 HG12 ILE 42 HG12 ILE 42 -5.643 -4.984 16.345 287 HG13 ILE 42 HG11 ILE 42 -7.385 -4.909 16.098 288 HG21 ILE 42 HG21 ILE 42 -4.845 -7.166 13.987 289 HG22 ILE 42 HG22 ILE 42 -4.217 -5.809 14.923 290 HG23 ILE 42 HG23 ILE 42 -4.527 -5.621 13.197 291 HD11 ILE 42 HD11 ILE 42 -7.698 -6.999 16.831 292 HD12 ILE 42 HD12 ILE 42 -6.117 -6.777 17.580 293 HD13 ILE 42 HD13 ILE 42 -6.251 -7.609 16.031 294 H MET 43 HN MET 43 -6.708 -3.014 15.859 295 HA MET 43 HA MET 43 -5.092 -0.813 15.282 296 HB2 MET 43 HB2 MET 43 -5.013 -0.454 17.716 297 HB3 MET 43 HB1 MET 43 -6.638 -0.828 17.162 298 HG2 MET 43 HG2 MET 43 -5.756 -3.298 17.787 299 HG3 MET 43 HG1 MET 43 -4.852 -2.327 18.948 300 HE1 MET 43 HE1 MET 43 -9.286 -3.149 18.673 301 HE2 MET 43 HE2 MET 43 -8.132 -4.417 19.084 302 HE3 MET 43 HE3 MET 43 -7.992 -3.562 17.548 303 H GLY 44 HN GLY 44 -3.139 -0.432 17.021 304 HA2 GLY 44 HA2 GLY 44 -1.299 -2.026 17.933 305 HA3 GLY 44 HA1 GLY 44 -1.157 -2.452 16.235 306 H GLY 45 HN GLY 45 1.071 -1.734 16.463 307 HA2 GLY 45 HA2 GLY 45 1.267 1.148 15.943 308 HA3 GLY 45 HA1 GLY 45 2.286 0.453 17.194 309 H ILE 46 HN ILE 46 4.291 0.518 16.387 310 HA ILE 46 HA ILE 46 4.738 -0.276 13.604 311 HB ILE 46 HB ILE 46 6.791 0.833 15.511 312 HG12 ILE 46 HG12 ILE 46 4.887 2.400 15.305 313 HG13 ILE 46 HG11 ILE 46 6.353 3.036 14.564 314 HG21 ILE 46 HG21 ILE 46 8.066 0.132 13.790 315 HG22 ILE 46 HG22 ILE 46 7.523 1.636 13.048 316 HG23 ILE 46 HG23 ILE 46 6.717 0.118 12.655 317 HD11 ILE 46 HD11 ILE 46 4.672 3.561 13.053 318 HD12 ILE 46 HD12 ILE 46 3.879 1.997 13.244 319 HD13 ILE 46 HD13 ILE 46 5.409 2.111 12.373 320 H TYR 47 HN TYR 47 4.081 -2.224 15.683 321 HA TYR 47 HA TYR 47 6.508 -3.874 15.483 322 HB2 TYR 47 HB2 TYR 47 5.720 -2.852 17.846 323 HB3 TYR 47 HB1 TYR 47 4.745 -4.318 17.827 324 HD1 TYR 47 HD1 TYR 47 8.244 -3.547 16.748 325 HD2 TYR 47 HD2 TYR 47 5.690 -5.927 19.180 326 HE1 TYR 47 HE1 TYR 47 10.189 -4.842 17.514 327 HE2 TYR 47 HE2 TYR 47 7.628 -7.228 19.953 328 HH TYR 47 HH TYR 47 10.794 -6.241 19.525 329 H ASP 48 HN ASP 48 2.995 -3.863 15.989 330 HA ASP 48 HA ASP 48 2.540 -6.593 15.610 331 HB2 ASP 48 HB2 ASP 48 0.810 -4.167 15.159 332 HB3 ASP 48 HB1 ASP 48 0.213 -5.799 14.870 333 H ALA 49 HN ALA 49 3.194 -7.735 13.911 334 HA ALA 49 HA ALA 49 2.476 -6.791 11.235 335 HB1 ALA 49 HB1 ALA 49 4.608 -7.159 10.308 336 HB2 ALA 49 HB2 ALA 49 5.185 -7.982 11.757 337 HB3 ALA 49 HB3 ALA 49 4.895 -6.243 11.787 338 HA PRO 50 HA PRO 50 1.775 -11.385 12.079 339 HB2 PRO 50 HB2 PRO 50 -0.896 -11.417 12.374 340 HB3 PRO 50 HB1 PRO 50 0.188 -11.084 13.731 341 HG2 PRO 50 HG2 PRO 50 -1.373 -9.170 12.040 342 HG3 PRO 50 HG1 PRO 50 -1.141 -9.177 13.797 343 HD2 PRO 50 HD2 PRO 50 0.276 -7.577 12.090 344 HD3 PRO 50 HD1 PRO 50 0.899 -8.139 13.654 345 H LEU 51 HN LEU 51 -0.072 -9.039 10.211 346 HA LEU 51 HA LEU 51 -0.958 -9.078 8.115 347 HB2 LEU 51 HB2 LEU 51 1.564 -9.717 7.800 348 HB3 LEU 51 HB1 LEU 51 0.915 -11.291 7.382 349 HG LEU 51 HG LEU 51 -0.181 -8.888 5.994 350 HD11 LEU 51 HD11 LEU 51 1.575 -8.672 4.508 351 HD12 LEU 51 HD12 LEU 51 2.266 -10.238 4.934 352 HD13 LEU 51 HD13 LEU 51 2.409 -8.878 6.048 353 HD21 LEU 51 HD21 LEU 51 0.101 -10.793 4.139 354 HD22 LEU 51 HD22 LEU 51 -1.304 -10.685 5.199 355 HD23 LEU 51 HD23 LEU 51 0.001 -11.808 5.578 356 H ASN 52 HN ASN 52 -2.544 -10.409 9.768 357 HA ASN 52 HA ASN 52 -3.052 -13.108 9.270 358 HB2 ASN 52 HB2 ASN 52 -4.896 -10.873 10.122 359 HB3 ASN 52 HB1 ASN 52 -5.393 -12.561 10.062 360 HD21 ASN 52 HD21 ASN 52 -4.213 -14.077 11.395 361 HD22 ASN 52 HD22 ASN 52 -3.532 -13.539 12.889 362 H ASN 53 HN ASN 53 -3.941 -10.244 7.479 363 HA ASN 53 HA ASN 53 -5.815 -11.625 5.780 364 HB2 ASN 53 HB2 ASN 53 -4.822 -8.853 6.077 365 HB3 ASN 53 HB1 ASN 53 -5.326 -9.317 4.455 366 HD21 ASN 53 HD21 ASN 53 -6.392 -7.700 6.931 367 HD22 ASN 53 HD22 ASN 53 -8.070 -8.114 6.932 368 H GLU 54 HN GLU 54 -3.874 -13.239 5.484 369 HA GLU 54 HA GLU 54 -2.169 -12.403 3.254 370 HB2 GLU 54 HB2 GLU 54 -0.895 -14.436 3.689 371 HB3 GLU 54 HB1 GLU 54 -1.075 -13.494 5.162 372 HG2 GLU 54 HG2 GLU 54 -2.458 -15.027 6.143 373 HG3 GLU 54 HG1 GLU 54 -3.043 -15.649 4.600 374 H ASN 55 HN ASN 55 -5.150 -13.215 3.230 375 HA ASN 55 HA ASN 55 -5.441 -15.645 1.880 376 HB2 ASN 55 HB2 ASN 55 -7.586 -14.629 1.019 377 HB3 ASN 55 HB1 ASN 55 -7.388 -14.581 2.768 378 HD21 ASN 55 HD21 ASN 55 -8.610 -12.877 0.399 379 HD22 ASN 55 HD22 ASN 55 -8.279 -11.264 0.924 380 H GLY 56 HN GLY 56 -4.479 -12.484 0.749 381 HA2 GLY 56 HA2 GLY 56 -3.023 -12.552 -1.258 382 HA3 GLY 56 HA1 GLY 56 -4.233 -13.604 -1.977 383 H PHE 57 HN PHE 57 -6.565 -12.289 -1.291 384 HA PHE 57 HA PHE 57 -6.650 -10.257 -3.265 385 HB2 PHE 57 HB2 PHE 57 -8.606 -11.328 -1.260 386 HB3 PHE 57 HB1 PHE 57 -8.990 -9.867 -2.164 387 HD1 PHE 57 HD2 PHE 57 -8.190 -10.257 -4.813 388 HD2 PHE 57 HD1 PHE 57 -9.679 -13.167 -2.088 389 HE1 PHE 57 HE2 PHE 57 -8.959 -11.630 -6.705 390 HE2 PHE 57 HE1 PHE 57 -10.450 -14.545 -3.975 391 HZ PHE 57 HZ PHE 57 -10.091 -13.776 -6.287 392 H ASP 58 HN ASP 58 -6.510 -10.221 0.254 393 HA ASP 58 HA ASP 58 -6.917 -7.414 0.522 394 HB2 ASP 58 HB2 ASP 58 -7.316 -9.090 2.339 395 HB3 ASP 58 HB1 ASP 58 -5.572 -9.289 2.477 396 H LYS 59 HN LYS 59 -4.018 -9.475 0.679 397 HA LYS 59 HA LYS 59 -2.161 -7.421 1.084 398 HB2 LYS 59 HB2 LYS 59 -0.477 -9.005 0.524 399 HB3 LYS 59 HB1 LYS 59 -1.757 -9.896 1.335 400 HG2 LYS 59 HG2 LYS 59 -2.594 -10.660 -0.833 401 HG3 LYS 59 HG1 LYS 59 -1.297 -9.775 -1.637 402 HD2 LYS 59 HD2 LYS 59 -0.611 -11.750 0.491 403 HD3 LYS 59 HD1 LYS 59 -1.047 -12.334 -1.116 404 HE2 LYS 59 HE2 LYS 59 0.846 -11.535 -2.068 405 HE3 LYS 59 HE1 LYS 59 0.907 -10.123 -1.013 406 HZ1 LYS 59 HZ1 LYS 59 1.505 -11.850 0.785 407 HZ2 LYS 59 HZ2 LYS 59 2.698 -11.365 -0.311 408 HZ3 LYS 59 HZ3 LYS 59 1.910 -12.847 -0.520 409 H GLU 60 HN GLU 60 -3.328 -8.907 -1.917 410 HA GLU 60 HA GLU 60 -1.694 -7.354 -3.639 411 HB2 GLU 60 HB2 GLU 60 -4.285 -8.813 -4.189 412 HB3 GLU 60 HB1 GLU 60 -3.231 -8.139 -5.424 413 HG2 GLU 60 HG2 GLU 60 -1.904 -9.949 -3.542 414 HG3 GLU 60 HG1 GLU 60 -3.151 -10.698 -4.538 415 H ASP 61 HN ASP 61 -4.984 -6.981 -2.412 416 HA ASP 61 HA ASP 61 -5.771 -4.812 -3.995 417 HB2 ASP 61 HB2 ASP 61 -6.616 -5.909 -1.351 418 HB3 ASP 61 HB1 ASP 61 -7.185 -4.305 -1.804 419 H LEU 62 HN LEU 62 -4.283 -4.845 -0.761 420 HA LEU 62 HA LEU 62 -4.124 -2.039 -0.491 421 HB2 LEU 62 HB2 LEU 62 -3.830 -3.983 1.246 422 HB3 LEU 62 HB1 LEU 62 -2.138 -3.844 0.807 423 HG LEU 62 HG LEU 62 -2.416 -2.515 2.731 424 HD11 LEU 62 HD11 LEU 62 -1.651 -0.437 2.041 425 HD12 LEU 62 HD12 LEU 62 -2.663 -0.437 0.597 426 HD13 LEU 62 HD13 LEU 62 -1.248 -1.485 0.681 427 HD21 LEU 62 HD21 LEU 62 -4.536 -0.782 1.623 428 HD22 LEU 62 HD22 LEU 62 -4.228 -1.281 3.287 429 HD23 LEU 62 HD23 LEU 62 -5.013 -2.392 2.164 430 H ALA 63 HN ALA 63 -1.621 -4.428 -1.346 431 HA ALA 63 HA ALA 63 0.475 -2.677 -1.802 432 HB1 ALA 63 HB1 ALA 63 0.451 -5.247 -1.789 433 HB2 ALA 63 HB2 ALA 63 1.576 -4.429 -2.874 434 HB3 ALA 63 HB3 ALA 63 0.077 -5.110 -3.507 435 H ARG 64 HN ARG 64 -1.795 -3.976 -4.230 436 HA ARG 64 HA ARG 64 -0.819 -2.451 -6.379 437 HB2 ARG 64 HB2 ARG 64 -2.501 -4.493 -6.259 438 HB3 ARG 64 HB1 ARG 64 -3.704 -3.210 -6.265 439 HG2 ARG 64 HG2 ARG 64 -1.593 -3.688 -8.358 440 HG3 ARG 64 HG1 ARG 64 -3.321 -4.014 -8.509 441 HD2 ARG 64 HD2 ARG 64 -3.623 -1.514 -7.983 442 HD3 ARG 64 HD1 ARG 64 -1.907 -1.372 -8.361 443 HE ARG 64 HE ARG 64 -2.460 -1.490 -10.564 444 HH11 ARG 64 HH11 ARG 64 -5.024 -2.981 -8.725 445 HH12 ARG 64 HH12 ARG 64 -6.025 -3.261 -10.110 446 HH21 ARG 64 HH21 ARG 64 -3.775 -1.857 -12.387 447 HH22 ARG 64 HH22 ARG 64 -5.316 -2.623 -12.189 448 H PHE 65 HN PHE 65 -3.248 -1.780 -3.929 449 HA PHE 65 HA PHE 65 -4.351 0.530 -5.108 450 HB2 PHE 65 HB2 PHE 65 -5.462 -0.655 -3.279 451 HB3 PHE 65 HB1 PHE 65 -4.150 -0.230 -2.186 452 HD1 PHE 65 HD2 PHE 65 -6.538 1.459 -4.505 453 HD2 PHE 65 HD1 PHE 65 -4.496 1.538 -0.773 454 HE1 PHE 65 HE2 PHE 65 -7.718 3.534 -3.908 455 HE2 PHE 65 HE1 PHE 65 -5.673 3.613 -0.168 456 HZ PHE 65 HZ PHE 65 -7.286 4.614 -1.737 457 H ALA 66 HN ALA 66 -1.984 0.274 -2.443 458 HA ALA 66 HA ALA 66 -1.378 2.989 -2.272 459 HB1 ALA 66 HB1 ALA 66 -0.691 1.566 -0.507 460 HB2 ALA 66 HB2 ALA 66 0.784 2.198 -1.239 461 HB3 ALA 66 HB3 ALA 66 0.256 0.553 -1.598 462 H VAL 67 HN VAL 67 0.453 0.441 -3.970 463 HA VAL 67 HA VAL 67 2.412 2.007 -5.117 464 HB VAL 67 HB VAL 67 1.070 -0.374 -6.409 465 HG11 VAL 67 HG11 VAL 67 2.400 0.647 -8.055 466 HG12 VAL 67 HG12 VAL 67 3.401 -0.648 -7.400 467 HG13 VAL 67 HG13 VAL 67 3.684 1.021 -6.906 468 HG21 VAL 67 HG21 VAL 67 2.276 -0.355 -3.970 469 HG22 VAL 67 HG22 VAL 67 3.632 -0.742 -5.029 470 HG23 VAL 67 HG23 VAL 67 2.189 -1.756 -5.038 471 H ARG 68 HN ARG 68 -0.637 1.011 -6.684 472 HA ARG 68 HA ARG 68 -0.358 2.606 -8.964 473 HB2 ARG 68 HB2 ARG 68 -1.961 0.783 -8.861 474 HB3 ARG 68 HB1 ARG 68 -2.862 1.607 -7.596 475 HG2 ARG 68 HG2 ARG 68 -3.653 3.248 -9.077 476 HG3 ARG 68 HG1 ARG 68 -2.472 2.814 -10.315 477 HD2 ARG 68 HD2 ARG 68 -3.920 1.391 -11.211 478 HD3 ARG 68 HD1 ARG 68 -3.998 0.497 -9.694 479 HE ARG 68 HE ARG 68 -5.936 2.362 -10.714 480 HH11 ARG 68 HH11 ARG 68 -4.677 0.817 -7.849 481 HH12 ARG 68 HH12 ARG 68 -6.137 1.027 -6.943 482 HH21 ARG 68 HH21 ARG 68 -7.857 2.640 -9.523 483 HH22 ARG 68 HH22 ARG 68 -7.942 2.062 -7.893 484 H GLU 69 HN GLU 69 -1.570 3.345 -5.766 485 HA GLU 69 HA GLU 69 -2.902 5.748 -6.342 486 HB2 GLU 69 HB2 GLU 69 -3.072 4.517 -4.193 487 HB3 GLU 69 HB1 GLU 69 -1.430 5.012 -3.806 488 HG2 GLU 69 HG2 GLU 69 -3.082 6.395 -2.671 489 HG3 GLU 69 HG1 GLU 69 -2.106 7.339 -3.795 490 H TYR 70 HN TYR 70 0.461 5.119 -5.406 491 HA TYR 70 HA TYR 70 1.125 7.933 -5.768 492 HB2 TYR 70 HB2 TYR 70 2.867 7.542 -4.389 493 HB3 TYR 70 HB1 TYR 70 2.035 6.035 -4.030 494 HD1 TYR 70 HD1 TYR 70 2.764 3.930 -5.123 495 HD2 TYR 70 HD2 TYR 70 4.947 7.555 -5.556 496 HE1 TYR 70 HE1 TYR 70 4.721 2.653 -5.896 497 HE2 TYR 70 HE2 TYR 70 6.908 6.290 -6.331 498 HH TYR 70 HH TYR 70 7.362 3.140 -5.876 499 H ASN 71 HN ASN 71 0.954 5.194 -7.694 500 HA ASN 71 HA ASN 71 3.170 5.960 -9.423 501 HB2 ASN 71 HB2 ASN 71 1.434 3.578 -9.139 502 HB3 ASN 71 HB1 ASN 71 1.986 3.945 -10.770 503 HD21 ASN 71 HD21 ASN 71 4.467 4.889 -10.416 504 HD22 ASN 71 HD22 ASN 71 5.486 3.688 -9.709 505 H ASN 72 HN ASN 72 -0.285 6.255 -9.254 506 HA ASN 72 HA ASN 72 -0.648 6.855 -12.033 507 HB2 ASN 72 HB2 ASN 72 -2.908 7.047 -11.560 508 HB3 ASN 72 HB1 ASN 72 -2.376 5.963 -10.281 509 HD21 ASN 72 HD21 ASN 72 -2.504 6.602 -8.191 510 HD22 ASN 72 HD22 ASN 72 -3.190 8.104 -7.683 511 H LYS 73 HN LYS 73 -0.031 8.685 -9.123 512 HA LYS 73 HA LYS 73 -0.789 11.218 -9.852 513 HB2 LYS 73 HB2 LYS 73 1.367 11.903 -8.496 514 HB3 LYS 73 HB1 LYS 73 -0.030 11.192 -7.703 515 HG2 LYS 73 HG2 LYS 73 1.033 9.270 -7.232 516 HG3 LYS 73 HG1 LYS 73 2.042 9.327 -8.674 517 HD2 LYS 73 HD2 LYS 73 2.760 11.543 -7.068 518 HD3 LYS 73 HD1 LYS 73 2.676 10.137 -6.003 519 HE2 LYS 73 HE2 LYS 73 4.435 9.112 -6.999 520 HE3 LYS 73 HE1 LYS 73 4.040 9.749 -8.595 521 HZ1 LYS 73 HZ1 LYS 73 5.837 11.018 -8.205 522 HZ2 LYS 73 HZ2 LYS 73 5.737 10.866 -6.524 523 HZ3 LYS 73 HZ3 LYS 73 4.753 11.979 -7.332 524 H ASN 74 HN ASN 74 2.687 10.548 -9.909 525 HA ASN 74 HA ASN 74 2.950 11.179 -12.702 526 HB2 ASN 74 HB2 ASN 74 4.427 13.172 -12.259 527 HB3 ASN 74 HB1 ASN 74 2.719 13.435 -11.914 528 HD21 ASN 74 HD21 ASN 74 5.712 12.386 -10.324 529 HD22 ASN 74 HD22 ASN 74 5.386 13.156 -8.818 530 H ASN 75 HN ASN 75 3.731 9.127 -10.633 531 HA ASN 75 HA ASN 75 6.569 9.328 -10.347 532 HB2 ASN 75 HB2 ASN 75 4.645 7.904 -9.057 533 HB3 ASN 75 HB1 ASN 75 5.336 6.658 -10.092 534 HD21 ASN 75 HD21 ASN 75 6.955 5.580 -9.253 535 HD22 ASN 75 HD22 ASN 75 8.038 6.146 -8.032 536 H ALA 76 HN ALA 76 7.490 6.799 -10.922 537 HA ALA 76 HA ALA 76 7.967 6.998 -13.735 538 HB1 ALA 76 HB1 ALA 76 9.729 6.306 -12.208 539 HB2 ALA 76 HB2 ALA 76 9.414 5.047 -13.403 540 HB3 ALA 76 HB3 ALA 76 8.796 4.877 -11.759 541 H LEU 77 HN LEU 77 5.852 5.128 -11.715 542 HA LEU 77 HA LEU 77 4.041 3.843 -12.264 543 HB2 LEU 77 HB2 LEU 77 4.256 5.288 -14.493 544 HB3 LEU 77 HB1 LEU 77 4.723 3.735 -15.157 545 HG LEU 77 HG LEU 77 2.394 3.988 -15.547 546 HD11 LEU 77 HD11 LEU 77 2.912 2.159 -13.213 547 HD12 LEU 77 HD12 LEU 77 2.957 1.755 -14.929 548 HD13 LEU 77 HD13 LEU 77 1.423 2.155 -14.157 549 HD21 LEU 77 HD21 LEU 77 0.890 4.926 -14.146 550 HD22 LEU 77 HD22 LEU 77 2.336 5.651 -13.443 551 HD23 LEU 77 HD23 LEU 77 1.622 4.216 -12.708 552 H LEU 78 HN LEU 78 5.201 2.199 -11.138 553 HA LEU 78 HA LEU 78 6.450 0.181 -12.880 554 HB2 LEU 78 HB2 LEU 78 7.062 -0.616 -10.340 555 HB3 LEU 78 HB1 LEU 78 8.108 0.326 -11.382 556 HG LEU 78 HG LEU 78 7.044 2.396 -10.323 557 HD11 LEU 78 HD11 LEU 78 5.786 2.240 -8.416 558 HD12 LEU 78 HD12 LEU 78 6.394 0.637 -8.011 559 HD13 LEU 78 HD13 LEU 78 5.208 0.829 -9.302 560 HD21 LEU 78 HD21 LEU 78 8.389 1.770 -8.082 561 HD22 LEU 78 HD22 LEU 78 9.174 2.212 -9.599 562 HD23 LEU 78 HD23 LEU 78 8.994 0.513 -9.161 563 H GLU 79 HN GLU 79 6.275 -2.073 -11.395 564 HA GLU 79 HA GLU 79 3.414 -2.407 -10.799 565 HB2 GLU 79 HB2 GLU 79 5.088 -3.948 -12.747 566 HB3 GLU 79 HB1 GLU 79 3.756 -4.746 -11.922 567 HG2 GLU 79 HG2 GLU 79 2.184 -3.638 -13.091 568 HG3 GLU 79 HG1 GLU 79 3.128 -2.151 -13.162 569 H PHE 80 HN PHE 80 2.991 -3.542 -9.007 570 HA PHE 80 HA PHE 80 5.216 -4.530 -7.444 571 HB2 PHE 80 HB2 PHE 80 3.886 -4.216 -5.640 572 HB3 PHE 80 HB1 PHE 80 2.899 -3.281 -6.755 573 HD1 PHE 80 HD1 PHE 80 0.910 -4.370 -7.825 574 HD2 PHE 80 HD2 PHE 80 3.079 -6.179 -4.641 575 HE1 PHE 80 HE1 PHE 80 -0.998 -5.858 -7.376 576 HE2 PHE 80 HE2 PHE 80 1.175 -7.672 -4.187 577 HZ PHE 80 HZ PHE 80 -0.866 -7.511 -5.555 578 H VAL 81 HN VAL 81 5.433 -6.654 -6.654 579 HA VAL 81 HA VAL 81 4.154 -8.670 -8.369 580 HB VAL 81 HB VAL 81 6.037 -10.161 -7.570 581 HG11 VAL 81 HG11 VAL 81 7.359 -7.908 -8.936 582 HG12 VAL 81 HG12 VAL 81 5.882 -8.508 -9.690 583 HG13 VAL 81 HG13 VAL 81 7.232 -9.604 -9.401 584 HG21 VAL 81 HG21 VAL 81 7.282 -7.561 -6.693 585 HG22 VAL 81 HG22 VAL 81 7.976 -9.178 -6.577 586 HG23 VAL 81 HG23 VAL 81 6.584 -8.742 -5.585 587 H ARG 82 HN ARG 82 4.897 -7.852 -5.024 588 HA ARG 82 HA ARG 82 2.629 -9.014 -3.938 589 HB2 ARG 82 HB2 ARG 82 3.612 -11.004 -2.799 590 HB3 ARG 82 HB1 ARG 82 3.455 -11.177 -4.542 591 HG2 ARG 82 HG2 ARG 82 5.894 -10.330 -4.589 592 HG3 ARG 82 HG1 ARG 82 5.907 -10.814 -2.894 593 HD2 ARG 82 HD2 ARG 82 5.826 -13.024 -3.383 594 HD3 ARG 82 HD1 ARG 82 4.798 -12.779 -4.794 595 HE ARG 82 HE ARG 82 7.471 -11.823 -5.178 596 HH11 ARG 82 HH11 ARG 82 5.431 -14.652 -5.281 597 HH12 ARG 82 HH12 ARG 82 6.438 -15.491 -6.414 598 HH21 ARG 82 HH21 ARG 82 8.796 -12.924 -6.668 599 HH22 ARG 82 HH22 ARG 82 8.349 -14.510 -7.201 600 H VAL 83 HN VAL 83 2.739 -9.188 -1.524 601 HA VAL 83 HA VAL 83 4.438 -7.054 -0.524 602 HB VAL 83 HB VAL 83 3.025 -6.930 1.363 603 HG11 VAL 83 HG11 VAL 83 0.761 -7.577 -0.293 604 HG12 VAL 83 HG12 VAL 83 2.009 -6.758 -1.231 605 HG13 VAL 83 HG13 VAL 83 1.361 -6.001 0.224 606 HG21 VAL 83 HG21 VAL 83 2.045 -9.658 0.562 607 HG22 VAL 83 HG22 VAL 83 1.186 -8.636 1.715 608 HG23 VAL 83 HG23 VAL 83 2.828 -9.175 2.067 609 H VAL 84 HN VAL 84 5.920 -7.252 1.116 610 HA VAL 84 HA VAL 84 6.649 -10.010 1.857 611 HB VAL 84 HB VAL 84 8.351 -8.935 0.465 612 HG11 VAL 84 HG11 VAL 84 9.585 -7.050 2.027 613 HG12 VAL 84 HG12 VAL 84 7.875 -6.710 2.290 614 HG13 VAL 84 HG13 VAL 84 8.531 -6.716 0.653 615 HG21 VAL 84 HG21 VAL 84 9.265 -9.191 3.329 616 HG22 VAL 84 HG22 VAL 84 10.268 -9.344 1.886 617 HG23 VAL 84 HG23 VAL 84 9.014 -10.539 2.219 618 H LYS 85 HN LYS 85 5.742 -6.902 3.023 619 HA LYS 85 HA LYS 85 5.905 -7.889 5.762 620 HB2 LYS 85 HB2 LYS 85 6.889 -5.112 5.159 621 HB3 LYS 85 HB1 LYS 85 7.092 -6.051 6.631 622 HG2 LYS 85 HG2 LYS 85 8.439 -7.650 5.043 623 HG3 LYS 85 HG1 LYS 85 8.594 -6.187 4.069 624 HD2 LYS 85 HD2 LYS 85 9.331 -5.071 6.279 625 HD3 LYS 85 HD1 LYS 85 9.587 -6.722 6.847 626 HE2 LYS 85 HE2 LYS 85 10.918 -6.972 4.614 627 HE3 LYS 85 HE1 LYS 85 10.999 -5.213 4.690 628 HZ1 LYS 85 HZ1 LYS 85 12.848 -5.700 5.870 629 HZ2 LYS 85 HZ2 LYS 85 12.280 -7.207 6.387 630 HZ3 LYS 85 HZ3 LYS 85 11.745 -5.796 7.150 631 H ALA 86 HN ALA 86 4.517 -6.793 7.232 632 HA ALA 86 HA ALA 86 2.755 -4.730 6.253 633 HB1 ALA 86 HB1 ALA 86 1.520 -7.368 7.000 634 HB2 ALA 86 HB2 ALA 86 1.827 -6.874 5.336 635 HB3 ALA 86 HB3 ALA 86 0.717 -5.942 6.341 636 H LYS 87 HN LYS 87 1.931 -3.529 7.871 637 HA LYS 87 HA LYS 87 1.827 -4.595 10.582 638 HB2 LYS 87 HB2 LYS 87 3.407 -2.122 9.847 639 HB3 LYS 87 HB1 LYS 87 3.056 -2.644 11.488 640 HG2 LYS 87 HG2 LYS 87 5.078 -3.600 11.341 641 HG3 LYS 87 HG1 LYS 87 4.194 -4.881 10.509 642 HD2 LYS 87 HD2 LYS 87 4.780 -3.979 8.366 643 HD3 LYS 87 HD1 LYS 87 5.485 -2.543 9.111 644 HE2 LYS 87 HE2 LYS 87 6.558 -5.179 9.941 645 HE3 LYS 87 HE1 LYS 87 6.954 -4.620 8.317 646 HZ1 LYS 87 HZ1 LYS 87 8.407 -3.990 10.411 647 HZ2 LYS 87 HZ2 LYS 87 7.294 -2.720 10.508 648 HZ3 LYS 87 HZ3 LYS 87 8.216 -2.929 9.106 649 H GLU 88 HN GLU 88 0.654 -3.161 12.066 650 HA GLU 88 HA GLU 88 -1.122 -1.278 10.663 651 HB2 GLU 88 HB2 GLU 88 -2.918 -2.086 12.298 652 HB3 GLU 88 HB1 GLU 88 -2.505 -3.152 10.962 653 HG2 GLU 88 HG2 GLU 88 -1.093 -3.497 13.556 654 HG3 GLU 88 HG1 GLU 88 -2.756 -4.063 13.406 655 H GLN 89 HN GLN 89 -1.612 0.590 11.710 656 HA GLN 89 HA GLN 89 -0.868 0.903 14.513 657 HB2 GLN 89 HB2 GLN 89 0.280 3.097 13.908 658 HB3 GLN 89 HB1 GLN 89 1.159 1.618 13.546 659 HG2 GLN 89 HG2 GLN 89 0.022 1.891 11.200 660 HG3 GLN 89 HG1 GLN 89 -0.104 3.577 11.700 661 HE21 GLN 89 HE21 GLN 89 2.181 0.918 11.310 662 HE22 GLN 89 HE22 GLN 89 3.550 1.908 10.953 663 H VAL 90 HN VAL 90 -1.884 2.662 15.553 664 HA VAL 90 HA VAL 90 -4.269 3.611 14.133 665 HB VAL 90 HB VAL 90 -3.744 3.737 17.101 666 HG11 VAL 90 HG11 VAL 90 -6.326 3.776 17.038 667 HG12 VAL 90 HG12 VAL 90 -6.119 4.248 15.351 668 HG13 VAL 90 HG13 VAL 90 -5.444 5.249 16.636 669 HG21 VAL 90 HG21 VAL 90 -5.047 1.592 15.441 670 HG22 VAL 90 HG22 VAL 90 -5.339 1.772 17.171 671 HG23 VAL 90 HG23 VAL 90 -3.712 1.430 16.582 672 H VAL 91 HN VAL 91 -4.461 5.655 13.540 673 HA VAL 91 HA VAL 91 -3.378 7.833 15.054 674 HB VAL 91 HB VAL 91 -2.095 8.725 13.001 675 HG11 VAL 91 HG11 VAL 91 -1.228 7.763 15.264 676 HG12 VAL 91 HG12 VAL 91 -0.103 8.041 13.934 677 HG13 VAL 91 HG13 VAL 91 -0.693 6.412 14.264 678 HG21 VAL 91 HG21 VAL 91 -1.131 7.088 11.525 679 HG22 VAL 91 HG22 VAL 91 -2.887 6.933 11.474 680 HG23 VAL 91 HG23 VAL 91 -1.926 5.775 12.395 681 H SER 92 HN SER 92 -5.382 8.756 15.058 682 HA SER 92 HA SER 92 -7.165 9.960 14.317 683 HB2 SER 92 HB2 SER 92 -5.641 10.304 11.728 684 HB3 SER 92 HB1 SER 92 -6.880 11.366 12.396 685 HG SER 92 HG SER 92 -5.173 12.379 13.131 686 H GLY 93 HN GLY 93 -6.876 7.051 13.754 687 HA2 GLY 93 HA2 GLY 93 -9.186 6.252 12.787 688 HA3 GLY 93 HA1 GLY 93 -8.411 6.733 11.285 689 H MET 94 HN MET 94 -7.228 5.259 10.248 690 HA MET 94 HA MET 94 -5.918 3.125 11.728 691 HB2 MET 94 HB2 MET 94 -8.067 2.639 9.666 692 HB3 MET 94 HB1 MET 94 -6.894 1.413 10.127 693 HG2 MET 94 HG2 MET 94 -8.657 2.780 12.132 694 HG3 MET 94 HG1 MET 94 -9.160 1.336 11.257 695 HE1 MET 94 HE1 MET 94 -8.596 2.363 14.275 696 HE2 MET 94 HE2 MET 94 -6.846 2.523 14.427 697 HE3 MET 94 HE3 MET 94 -7.676 1.164 15.184 698 H MET 95 HN MET 95 -3.899 3.174 11.003 699 HA MET 95 HA MET 95 -3.449 3.707 8.139 700 HB2 MET 95 HB2 MET 95 -2.472 5.136 10.267 701 HB3 MET 95 HB1 MET 95 -1.145 4.032 9.932 702 HG2 MET 95 HG2 MET 95 -0.970 4.813 7.685 703 HG3 MET 95 HG1 MET 95 -2.444 5.765 7.846 704 HE1 MET 95 HE1 MET 95 -1.414 9.005 9.347 705 HE2 MET 95 HE2 MET 95 -2.631 7.773 9.683 706 HE3 MET 95 HE3 MET 95 -2.278 8.233 8.017 707 H HIS 96 HN HIS 96 -2.479 2.181 6.958 708 HA HIS 96 HA HIS 96 -1.348 -0.135 8.381 709 HB2 HIS 96 HB2 HIS 96 -3.416 -0.218 6.688 710 HB3 HIS 96 HB1 HIS 96 -2.111 -0.347 5.514 711 HD1 HIS 96 HD1 HIS 96 -3.574 -2.151 8.483 712 HD2 HIS 96 HD2 HIS 96 -0.880 -2.809 5.389 713 HE1 HIS 96 HE1 HIS 96 -3.046 -4.609 8.563 714 HE2 HIS 96 HE2 HIS 96 -1.482 -4.999 6.627 715 H TYR 97 HN TYR 97 0.750 -0.506 8.198 716 HA TYR 97 HA TYR 97 2.230 0.799 6.008 717 HB2 TYR 97 HB2 TYR 97 3.021 0.149 8.844 718 HB3 TYR 97 HB1 TYR 97 4.220 0.496 7.603 719 HD1 TYR 97 HD2 TYR 97 0.927 2.047 8.479 720 HD2 TYR 97 HD1 TYR 97 5.111 2.593 7.933 721 HE1 TYR 97 HE2 TYR 97 0.663 4.452 8.905 722 HE2 TYR 97 HE1 TYR 97 4.858 5.001 8.360 723 HH TYR 97 HH TYR 97 2.833 6.410 9.810 724 H LEU 98 HN LEU 98 2.414 -0.748 4.456 725 HA LEU 98 HA LEU 98 3.661 -3.281 5.289 726 HB2 LEU 98 HB2 LEU 98 2.353 -4.242 3.248 727 HB3 LEU 98 HB1 LEU 98 1.576 -4.093 4.811 728 HG LEU 98 HG LEU 98 0.439 -2.060 4.086 729 HD11 LEU 98 HD11 LEU 98 0.589 -1.672 1.505 730 HD12 LEU 98 HD12 LEU 98 2.179 -2.412 1.691 731 HD13 LEU 98 HD13 LEU 98 1.778 -0.948 2.587 732 HD21 LEU 98 HD21 LEU 98 -1.019 -3.710 3.609 733 HD22 LEU 98 HD22 LEU 98 0.163 -4.634 2.681 734 HD23 LEU 98 HD23 LEU 98 -0.661 -3.260 1.942 735 H THR 99 HN THR 99 5.230 -4.109 3.995 736 HA THR 99 HA THR 99 6.159 -2.353 1.831 737 HB THR 99 HB THR 99 7.852 -4.524 2.999 738 HG1 THR 99 HG1 THR 99 8.382 -3.276 4.728 739 HG21 THR 99 HG21 THR 99 8.413 -2.706 1.119 740 HG22 THR 99 HG22 THR 99 9.616 -3.365 2.228 741 HG23 THR 99 HG23 THR 99 8.876 -1.800 2.559 742 H VAL 100 HN VAL 100 6.458 -3.120 -0.217 743 HA VAL 100 HA VAL 100 6.048 -5.986 -0.680 744 HB VAL 100 HB VAL 100 4.433 -5.689 -2.369 745 HG11 VAL 100 HG11 VAL 100 3.549 -3.638 -0.368 746 HG12 VAL 100 HG12 VAL 100 3.714 -5.339 0.064 747 HG13 VAL 100 HG13 VAL 100 2.587 -4.856 -1.204 748 HG21 VAL 100 HG21 VAL 100 3.718 -3.083 -2.665 749 HG22 VAL 100 HG22 VAL 100 4.809 -3.952 -3.745 750 HG23 VAL 100 HG23 VAL 100 5.464 -2.942 -2.456 751 H GLU 101 HN GLU 101 6.697 -6.685 -2.854 752 HA GLU 101 HA GLU 101 9.128 -5.305 -3.660 753 HB2 GLU 101 HB2 GLU 101 8.004 -8.033 -4.020 754 HB3 GLU 101 HB1 GLU 101 9.075 -7.440 -5.282 755 HG2 GLU 101 HG2 GLU 101 10.884 -7.238 -3.806 756 HG3 GLU 101 HG1 GLU 101 9.847 -7.367 -2.386 757 H VAL 102 HN VAL 102 9.387 -4.208 -5.525 758 HA VAL 102 HA VAL 102 7.183 -4.287 -7.479 759 HB VAL 102 HB VAL 102 8.703 -1.786 -6.762 760 HG11 VAL 102 HG11 VAL 102 7.640 -0.840 -8.464 761 HG12 VAL 102 HG12 VAL 102 6.080 -1.427 -7.886 762 HG13 VAL 102 HG13 VAL 102 7.071 -2.441 -8.934 763 HG21 VAL 102 HG21 VAL 102 6.853 -1.078 -5.428 764 HG22 VAL 102 HG22 VAL 102 7.353 -2.667 -4.850 765 HG23 VAL 102 HG23 VAL 102 5.919 -2.509 -5.865 766 H ASN 103 HN ASN 103 7.717 -4.151 -9.616 767 HA ASN 103 HA ASN 103 10.592 -4.136 -10.256 768 HB2 ASN 103 HB2 ASN 103 9.467 -6.366 -10.521 769 HB3 ASN 103 HB1 ASN 103 8.433 -5.640 -11.748 770 HD21 ASN 103 HD21 ASN 103 11.135 -7.421 -11.284 771 HD22 ASN 103 HD22 ASN 103 11.959 -7.100 -12.768 772 H ASP 104 HN ASP 104 11.215 -3.165 -12.233 773 HA ASP 104 HA ASP 104 9.212 -1.721 -13.762 774 HB2 ASP 104 HB2 ASP 104 10.136 -0.342 -11.703 775 HB3 ASP 104 HB1 ASP 104 11.506 -0.080 -12.778 776 H ALA 105 HN ALA 105 9.709 -2.456 -15.729 777 HA ALA 105 HA ALA 105 10.874 -2.962 -17.618 778 HB1 ALA 105 HB1 ALA 105 12.124 -1.261 -18.432 779 HB2 ALA 105 HB2 ALA 105 13.093 -1.125 -16.965 780 HB3 ALA 105 HB3 ALA 105 11.476 -0.422 -17.022 781 H GLY 106 HN GLY 106 11.479 -4.457 -15.167 782 HA2 GLY 106 HA2 GLY 106 12.871 -6.428 -15.220 783 HA3 GLY 106 HA1 GLY 106 14.124 -5.465 -15.988 784 H LYS 107 HN LYS 107 13.643 -3.222 -14.090 785 HA LYS 107 HA LYS 107 15.533 -4.023 -12.114 786 HB2 LYS 107 HB2 LYS 107 14.008 -1.528 -12.720 787 HB3 LYS 107 HB1 LYS 107 14.763 -1.687 -11.140 788 HG2 LYS 107 HG2 LYS 107 16.468 -2.323 -13.458 789 HG3 LYS 107 HG1 LYS 107 15.991 -0.634 -13.275 790 HD2 LYS 107 HD2 LYS 107 16.929 -2.009 -10.832 791 HD3 LYS 107 HD1 LYS 107 18.144 -1.701 -12.075 792 HE2 LYS 107 HE2 LYS 107 16.292 0.491 -11.253 793 HE3 LYS 107 HE1 LYS 107 17.658 0.079 -10.218 794 HZ1 LYS 107 HZ1 LYS 107 18.534 1.686 -11.590 795 HZ2 LYS 107 HZ2 LYS 107 17.668 1.174 -12.949 796 HZ3 LYS 107 HZ3 LYS 107 18.993 0.275 -12.404 797 H LYS 108 HN LYS 108 14.995 -5.351 -10.511 798 HA LYS 108 HA LYS 108 12.336 -5.127 -9.293 799 HB2 LYS 108 HB2 LYS 108 12.974 -7.353 -10.083 800 HB3 LYS 108 HB1 LYS 108 14.417 -7.310 -9.079 801 HG2 LYS 108 HG2 LYS 108 13.153 -8.451 -7.628 802 HG3 LYS 108 HG1 LYS 108 12.499 -6.862 -7.224 803 HD2 LYS 108 HD2 LYS 108 10.793 -7.294 -9.081 804 HD3 LYS 108 HD1 LYS 108 11.327 -8.975 -9.010 805 HE2 LYS 108 HE2 LYS 108 10.690 -7.742 -6.416 806 HE3 LYS 108 HE1 LYS 108 9.322 -7.940 -7.510 807 HZ1 LYS 108 HZ1 LYS 108 9.547 -10.222 -7.515 808 HZ2 LYS 108 HZ2 LYS 108 9.934 -9.844 -5.913 809 HZ3 LYS 108 HZ3 LYS 108 11.165 -10.186 -7.020 810 H LYS 109 HN LYS 109 12.045 -4.572 -7.191 811 HA LYS 109 HA LYS 109 14.220 -4.550 -5.310 812 HB2 LYS 109 HB2 LYS 109 13.291 -2.050 -6.631 813 HB3 LYS 109 HB1 LYS 109 13.635 -1.980 -4.908 814 HG2 LYS 109 HG2 LYS 109 15.863 -3.182 -5.672 815 HG3 LYS 109 HG1 LYS 109 15.473 -2.387 -7.198 816 HD2 LYS 109 HD2 LYS 109 15.391 -0.232 -6.084 817 HD3 LYS 109 HD1 LYS 109 15.686 -1.003 -4.525 818 HE2 LYS 109 HE2 LYS 109 17.655 -1.596 -6.633 819 HE3 LYS 109 HE1 LYS 109 17.618 0.077 -6.077 820 HZ1 LYS 109 HZ1 LYS 109 18.153 -0.551 -3.916 821 HZ2 LYS 109 HZ2 LYS 109 19.144 -1.538 -4.867 822 HZ3 LYS 109 HZ3 LYS 109 17.742 -2.173 -4.167 823 H LEU 110 HN LEU 110 13.444 -3.375 -3.217 824 HA LEU 110 HA LEU 110 10.635 -4.143 -2.770 825 HB2 LEU 110 HB2 LEU 110 12.009 -5.600 -1.509 826 HB3 LEU 110 HB1 LEU 110 13.052 -4.293 -0.986 827 HG LEU 110 HG LEU 110 11.371 -3.452 0.511 828 HD11 LEU 110 HD11 LEU 110 9.596 -5.417 -0.887 829 HD12 LEU 110 HD12 LEU 110 9.334 -3.700 -0.577 830 HD13 LEU 110 HD13 LEU 110 9.229 -4.861 0.746 831 HD21 LEU 110 HD21 LEU 110 11.531 -5.073 2.118 832 HD22 LEU 110 HD22 LEU 110 12.759 -5.636 0.985 833 HD23 LEU 110 HD23 LEU 110 11.161 -6.381 0.995 834 H TYR 111 HN TYR 111 9.300 -2.507 -2.393 835 HA TYR 111 HA TYR 111 10.395 -0.059 -1.170 836 HB2 TYR 111 HB2 TYR 111 8.064 -0.144 -3.085 837 HB3 TYR 111 HB1 TYR 111 8.931 1.274 -2.508 838 HD1 TYR 111 HD1 TYR 111 11.747 0.078 -2.859 839 HD2 TYR 111 HD2 TYR 111 8.350 0.245 -5.417 840 HE1 TYR 111 HE1 TYR 111 13.225 -0.027 -4.821 841 HE2 TYR 111 HE2 TYR 111 9.819 0.138 -7.384 842 HH TYR 111 HH TYR 111 12.730 0.875 -7.549 843 H GLU 112 HN GLU 112 9.243 0.918 0.444 844 HA GLU 112 HA GLU 112 7.129 -0.697 1.643 845 HB2 GLU 112 HB2 GLU 112 9.266 0.441 2.792 846 HB3 GLU 112 HB1 GLU 112 8.122 1.763 2.978 847 HG2 GLU 112 HG2 GLU 112 7.034 -0.830 3.746 848 HG3 GLU 112 HG1 GLU 112 8.434 -0.337 4.698 849 H ALA 113 HN ALA 113 5.086 0.075 2.127 850 HA ALA 113 HA ALA 113 4.387 2.748 1.136 851 HB1 ALA 113 HB1 ALA 113 2.864 2.046 -0.372 852 HB2 ALA 113 HB2 ALA 113 2.399 0.642 0.589 853 HB3 ALA 113 HB3 ALA 113 3.865 0.594 -0.390 854 H LYS 114 HN LYS 114 2.948 3.834 2.366 855 HA LYS 114 HA LYS 114 1.617 2.345 4.530 856 HB2 LYS 114 HB2 LYS 114 1.887 4.380 5.946 857 HB3 LYS 114 HB1 LYS 114 3.403 3.590 5.537 858 HG2 LYS 114 HG2 LYS 114 3.334 5.331 3.547 859 HG3 LYS 114 HG1 LYS 114 2.348 6.226 4.703 860 HD2 LYS 114 HD2 LYS 114 4.543 6.949 5.112 861 HD3 LYS 114 HD1 LYS 114 4.219 5.770 6.382 862 HE2 LYS 114 HE2 LYS 114 5.236 4.195 4.400 863 HE3 LYS 114 HE1 LYS 114 6.147 5.688 4.178 864 HZ1 LYS 114 HZ1 LYS 114 6.751 5.596 6.536 865 HZ2 LYS 114 HZ2 LYS 114 7.293 4.232 5.694 866 HZ3 LYS 114 HZ3 LYS 114 5.932 4.123 6.692 867 H VAL 115 HN VAL 115 -0.513 2.456 4.431 868 HA VAL 115 HA VAL 115 -1.745 4.729 3.020 869 HB VAL 115 HB VAL 115 -2.994 2.026 3.512 870 HG11 VAL 115 HG11 VAL 115 -4.605 2.721 1.837 871 HG12 VAL 115 HG12 VAL 115 -3.754 4.250 1.621 872 HG13 VAL 115 HG13 VAL 115 -4.554 3.894 3.152 873 HG21 VAL 115 HG21 VAL 115 -1.114 1.634 2.102 874 HG22 VAL 115 HG22 VAL 115 -1.479 3.053 1.120 875 HG23 VAL 115 HG23 VAL 115 -2.546 1.649 1.072 876 H TRP 116 HN TRP 116 -3.626 5.686 3.881 877 HA TRP 116 HA TRP 116 -4.123 5.093 6.724 878 HB2 TRP 116 HB2 TRP 116 -2.854 7.188 6.467 879 HB3 TRP 116 HB1 TRP 116 -4.112 7.819 5.412 880 HD1 TRP 116 HD1 TRP 116 -4.384 6.133 8.906 881 HE1 TRP 116 HE1 TRP 116 -5.759 7.692 10.424 882 HE3 TRP 116 HE3 TRP 116 -5.137 9.991 5.637 883 HZ2 TRP 116 HZ2 TRP 116 -6.997 10.224 10.257 884 HZ3 TRP 116 HZ3 TRP 116 -6.429 11.944 6.394 885 HH2 TRP 116 HH2 TRP 116 -7.342 12.055 8.656 886 H GLU 117 HN GLU 117 -6.218 5.156 7.441 887 HA GLU 117 HA GLU 117 -8.356 6.022 5.689 888 HB2 GLU 117 HB2 GLU 117 -7.998 3.756 4.886 889 HB3 GLU 117 HB1 GLU 117 -8.066 3.131 6.528 890 HG2 GLU 117 HG2 GLU 117 -10.430 4.656 5.732 891 HG3 GLU 117 HG1 GLU 117 -10.149 3.199 4.780 892 H GLN 118 HN GLN 118 -9.842 6.998 6.902 893 HA GLN 118 HA GLN 118 -9.878 6.459 9.779 894 HB2 GLN 118 HB2 GLN 118 -11.375 8.713 8.500 895 HB3 GLN 118 HB1 GLN 118 -10.664 8.616 10.102 896 HG2 GLN 118 HG2 GLN 118 -9.195 10.038 9.122 897 HG3 GLN 118 HG1 GLN 118 -8.420 8.503 8.733 898 HE21 GLN 118 HE21 GLN 118 -7.877 8.203 6.697 899 HE22 GLN 118 HE22 GLN 118 -8.540 9.031 5.334 900 H VAL 119 HN VAL 119 -12.159 6.891 10.762 901 HA VAL 119 HA VAL 119 -14.114 5.328 9.204 902 HB VAL 119 HB VAL 119 -13.296 4.105 11.171 903 HG11 VAL 119 HG11 VAL 119 -12.733 6.038 12.569 904 HG12 VAL 119 HG12 VAL 119 -13.765 4.892 13.425 905 HG13 VAL 119 HG13 VAL 119 -14.450 6.382 12.777 906 HG21 VAL 119 HG21 VAL 119 -16.157 5.042 11.286 907 HG22 VAL 119 HG22 VAL 119 -15.527 3.703 12.246 908 HG23 VAL 119 HG23 VAL 119 -15.522 3.605 10.485 909 H TRP 120 HN TRP 120 -13.646 8.003 11.452 910 HA TRP 120 HA TRP 120 -16.422 8.795 11.347 911 HB2 TRP 120 HB2 TRP 120 -15.628 10.746 12.698 912 HB3 TRP 120 HB1 TRP 120 -15.241 9.183 13.409 913 HD1 TRP 120 HD1 TRP 120 -13.577 12.178 11.684 914 HE1 TRP 120 HE1 TRP 120 -11.053 12.110 12.184 915 HE3 TRP 120 HE3 TRP 120 -13.334 7.635 14.016 916 HZ2 TRP 120 HZ2 TRP 120 -9.204 10.361 13.405 917 HZ3 TRP 120 HZ3 TRP 120 -11.150 6.837 14.819 918 HH2 TRP 120 HH2 TRP 120 -9.128 8.173 14.518 919 H MET 121 HN MET 121 -13.552 9.427 9.561 920 HA MET 121 HA MET 121 -14.665 11.862 8.382 921 HB2 MET 121 HB2 MET 121 -12.313 11.930 9.068 922 HB3 MET 121 HB1 MET 121 -11.959 10.559 8.027 923 HG2 MET 121 HG2 MET 121 -11.737 11.848 6.236 924 HG3 MET 121 HG1 MET 121 -13.233 12.716 6.577 925 HE1 MET 121 HE1 MET 121 -9.799 14.938 6.061 926 HE2 MET 121 HE2 MET 121 -10.593 13.589 5.248 927 HE3 MET 121 HE3 MET 121 -9.296 13.283 6.403 928 H ASN 122 HN ASN 122 -14.125 8.513 7.727 929 HA ASN 122 HA ASN 122 -14.684 7.168 5.991 930 HB2 ASN 122 HB2 ASN 122 -16.474 9.521 5.595 931 HB3 ASN 122 HB1 ASN 122 -16.354 8.344 4.290 932 HD21 ASN 122 HD21 ASN 122 -16.433 8.115 7.831 933 HD22 ASN 122 HD22 ASN 122 -17.740 6.986 7.898 934 H PHE 123 HN PHE 123 -12.252 8.259 5.732 935 HA PHE 123 HA PHE 123 -12.048 8.676 2.836 936 HB2 PHE 123 HB2 PHE 123 -11.707 10.760 4.564 937 HB3 PHE 123 HB1 PHE 123 -10.059 10.153 4.433 938 HD1 PHE 123 HD2 PHE 123 -9.246 9.696 1.975 939 HD2 PHE 123 HD1 PHE 123 -12.446 12.296 3.027 940 HE1 PHE 123 HE2 PHE 123 -8.979 10.882 -0.163 941 HE2 PHE 123 HE1 PHE 123 -12.185 13.488 0.890 942 HZ PHE 123 HZ PHE 123 -10.449 12.781 -0.708 943 H ARG 124 HN ARG 124 -10.138 7.911 1.886 944 HA ARG 124 HA ARG 124 -8.121 6.654 3.528 945 HB2 ARG 124 HB2 ARG 124 -8.501 4.505 1.999 946 HB3 ARG 124 HB1 ARG 124 -9.295 4.702 3.554 947 HG2 ARG 124 HG2 ARG 124 -10.840 3.909 1.845 948 HG3 ARG 124 HG1 ARG 124 -11.307 5.500 2.449 949 HD2 ARG 124 HD2 ARG 124 -10.489 6.575 0.503 950 HD3 ARG 124 HD1 ARG 124 -9.668 5.114 -0.042 951 HE ARG 124 HE ARG 124 -12.473 4.706 0.196 952 HH11 ARG 124 HH11 ARG 124 -10.036 6.122 -1.862 953 HH12 ARG 124 HH12 ARG 124 -10.982 5.961 -3.303 954 HH21 ARG 124 HH21 ARG 124 -13.719 4.494 -1.699 955 HH22 ARG 124 HH22 ARG 124 -13.073 5.037 -3.211 956 H GLN 125 HN GLN 125 -6.181 6.766 2.577 957 HA GLN 125 HA GLN 125 -5.848 6.620 -0.267 958 HB2 GLN 125 HB2 GLN 125 -4.747 8.927 -0.371 959 HB3 GLN 125 HB1 GLN 125 -6.504 8.874 -0.347 960 HG2 GLN 125 HG2 GLN 125 -6.518 9.421 2.011 961 HG3 GLN 125 HG1 GLN 125 -4.755 9.399 2.045 962 HE21 GLN 125 HE21 GLN 125 -4.955 11.570 2.865 963 HE22 GLN 125 HE22 GLN 125 -5.178 12.883 1.765 964 H LEU 126 HN LEU 126 -3.477 7.243 -0.835 965 HA LEU 126 HA LEU 126 -1.796 5.721 0.945 966 HB2 LEU 126 HB2 LEU 126 -1.529 5.355 -1.404 967 HB3 LEU 126 HB1 LEU 126 -1.304 7.067 -1.706 968 HG LEU 126 HG LEU 126 0.692 6.073 0.144 969 HD11 LEU 126 HD11 LEU 126 0.058 4.040 -1.392 970 HD12 LEU 126 HD12 LEU 126 1.741 4.419 -1.031 971 HD13 LEU 126 HD13 LEU 126 1.037 4.911 -2.572 972 HD21 LEU 126 HD21 LEU 126 2.177 7.239 -1.277 973 HD22 LEU 126 HD22 LEU 126 0.687 8.182 -1.251 974 HD23 LEU 126 HD23 LEU 126 1.058 7.157 -2.637 975 H GLN 127 HN GLN 127 -0.265 6.465 2.305 976 HA GLN 127 HA GLN 127 -0.171 9.335 2.762 977 HB2 GLN 127 HB2 GLN 127 0.352 6.919 4.342 978 HB3 GLN 127 HB1 GLN 127 1.505 8.215 4.628 979 HG2 GLN 127 HG2 GLN 127 -0.512 8.141 6.140 980 HG3 GLN 127 HG1 GLN 127 -0.165 9.686 5.367 981 HE21 GLN 127 HE21 GLN 127 -1.664 6.864 3.892 982 HE22 GLN 127 HE22 GLN 127 -3.194 7.606 3.590 983 H GLU 128 HN GLU 128 2.309 6.763 2.618 984 HA GLU 128 HA GLU 128 3.951 8.481 0.933 985 HB2 GLU 128 HB2 GLU 128 5.265 7.252 3.327 986 HB3 GLU 128 HB1 GLU 128 5.806 8.595 2.333 987 HG2 GLU 128 HG2 GLU 128 3.389 8.772 4.105 988 HG3 GLU 128 HG1 GLU 128 5.017 9.145 4.669 989 H PHE 129 HN PHE 129 5.746 7.387 -0.045 990 HA PHE 129 HA PHE 129 5.661 4.458 0.060 991 HB2 PHE 129 HB2 PHE 129 4.328 5.591 -1.910 992 HB3 PHE 129 HB1 PHE 129 5.933 5.807 -2.600 993 HD1 PHE 129 HD2 PHE 129 7.328 3.823 -3.115 994 HD2 PHE 129 HD1 PHE 129 3.269 3.477 -1.885 995 HE1 PHE 129 HE2 PHE 129 7.268 1.520 -3.975 996 HE2 PHE 129 HE1 PHE 129 3.202 1.172 -2.741 997 HZ PHE 129 HZ PHE 129 5.203 0.190 -3.788 998 H THR 130 HN THR 130 7.645 4.019 0.816 999 HA THR 130 HA THR 130 9.927 5.563 -0.177 1000 HB THR 130 HB THR 130 11.146 4.784 1.707 1001 HG1 THR 130 HG1 THR 130 10.752 2.698 1.964 1002 HG21 THR 130 HG21 THR 130 9.098 6.353 2.133 1003 HG22 THR 130 HG22 THR 130 10.016 5.675 3.477 1004 HG23 THR 130 HG23 THR 130 8.478 4.951 3.005 1005 H TYR 131 HN TYR 131 11.807 4.542 -0.979 1006 HA TYR 131 HA TYR 131 11.293 1.875 -2.116 1007 HB2 TYR 131 HB2 TYR 131 12.946 2.517 -3.869 1008 HB3 TYR 131 HB1 TYR 131 11.512 3.538 -3.850 1009 HD1 TYR 131 HD2 TYR 131 11.655 5.841 -2.916 1010 HD2 TYR 131 HD1 TYR 131 15.110 3.417 -3.451 1011 HE1 TYR 131 HE2 TYR 131 13.077 7.839 -2.738 1012 HE2 TYR 131 HE1 TYR 131 16.542 5.408 -3.273 1013 HH TYR 131 HH TYR 131 16.327 7.868 -3.617 1014 H LEU 132 HN LEU 132 12.302 0.353 -0.984 1015 HA LEU 132 HA LEU 132 14.783 0.937 0.406 1016 HB2 LEU 132 HB2 LEU 132 13.534 -1.779 0.307 1017 HB3 LEU 132 HB1 LEU 132 14.456 -1.032 1.597 1018 HG LEU 132 HG LEU 132 11.602 -0.424 0.830 1019 HD11 LEU 132 HD11 LEU 132 12.122 -2.510 2.152 1020 HD12 LEU 132 HD12 LEU 132 11.008 -1.372 2.909 1021 HD13 LEU 132 HD13 LEU 132 12.688 -1.447 3.440 1022 HD21 LEU 132 HD21 LEU 132 12.508 1.659 1.450 1023 HD22 LEU 132 HD22 LEU 132 13.468 0.946 2.747 1024 HD23 LEU 132 HD23 LEU 132 11.714 1.043 2.899 1025 H GLY 133 HN GLY 133 16.129 -1.432 0.342 1026 HA2 GLY 133 HA2 GLY 133 17.463 -1.267 -2.181 1027 HA3 GLY 133 HA1 GLY 133 17.833 -2.389 -0.881 1028 H ASP 134 HN ASP 134 16.513 -4.325 -0.696 1029 HA ASP 134 HA ASP 134 14.715 -5.081 -2.767 1030 HB2 ASP 134 HB2 ASP 134 16.091 -6.828 -3.813 1031 HB3 ASP 134 HB1 ASP 134 16.792 -5.231 -4.061 1032 H ALA 135 HN ALA 135 13.724 -7.089 -2.380 1033 HA ALA 135 HA ALA 135 14.104 -8.060 0.351 1034 HB1 ALA 135 HB1 ALA 135 11.920 -8.905 0.255 1035 HB2 ALA 135 HB2 ALA 135 11.893 -8.881 -1.508 1036 HB3 ALA 135 HB3 ALA 135 11.840 -7.367 -0.604 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 8.971 3.981 14.548 2 H2 MET 1 HT2 MET 1 9.318 4.389 16.179 3 H3 MET 1 HT3 MET 1 8.720 2.828 15.791 4 HA MET 1 HA MET 1 11.017 2.692 16.224 5 HB2 MET 1 HB2 MET 1 10.053 1.267 14.486 6 HB3 MET 1 HB1 MET 1 10.327 2.518 13.283 7 HG2 MET 1 HG2 MET 1 12.080 1.063 12.928 8 HG3 MET 1 HG1 MET 1 12.804 2.308 13.943 9 HE1 MET 1 HE1 MET 1 10.999 -1.094 13.924 10 HE2 MET 1 HE2 MET 1 10.324 -0.475 15.431 11 HE3 MET 1 HE3 MET 1 11.455 -1.827 15.461 12 H ALA 2 HN ALA 2 10.821 4.430 13.119 13 HA ALA 2 HA ALA 2 13.362 5.677 13.545 14 HB1 ALA 2 HB1 ALA 2 11.344 6.410 11.437 15 HB2 ALA 2 HB2 ALA 2 12.404 5.007 11.310 16 HB3 ALA 2 HB3 ALA 2 13.093 6.628 11.392 17 H ASP 3 HN ASP 3 9.996 6.685 13.752 18 HA ASP 3 HA ASP 3 9.067 8.356 15.025 19 HB2 ASP 3 HB2 ASP 3 11.522 8.296 16.157 20 HB3 ASP 3 HB1 ASP 3 11.550 9.905 15.441 21 H GLU 4 HN GLU 4 11.220 8.869 12.389 22 HA GLU 4 HA GLU 4 10.502 11.599 11.903 23 HB2 GLU 4 HB2 GLU 4 11.680 11.312 9.775 24 HB3 GLU 4 HB1 GLU 4 12.637 10.694 11.114 25 HG2 GLU 4 HG2 GLU 4 11.486 8.424 10.453 26 HG3 GLU 4 HG1 GLU 4 11.306 9.234 8.898 27 H GLN 5 HN GLN 5 9.473 8.452 10.688 28 HA GLN 5 HA GLN 5 7.548 9.657 8.882 29 HB2 GLN 5 HB2 GLN 5 8.730 7.007 9.269 30 HB3 GLN 5 HB1 GLN 5 7.008 6.953 8.916 31 HG2 GLN 5 HG2 GLN 5 8.422 6.783 6.909 32 HG3 GLN 5 HG1 GLN 5 7.329 8.166 6.873 33 HE21 GLN 5 HE21 GLN 5 8.168 10.242 7.054 34 HE22 GLN 5 HE22 GLN 5 9.847 10.580 6.829 35 HA PRO 6 HA PRO 6 4.649 7.271 12.086 36 HB2 PRO 6 HB2 PRO 6 6.408 7.579 14.464 37 HB3 PRO 6 HB1 PRO 6 5.348 6.239 14.014 38 HG2 PRO 6 HG2 PRO 6 7.989 6.025 13.757 39 HG3 PRO 6 HG1 PRO 6 6.895 5.333 12.543 40 HD2 PRO 6 HD2 PRO 6 8.527 7.836 12.423 41 HD3 PRO 6 HD1 PRO 6 8.176 6.654 11.144 42 H LYS 7 HN LYS 7 3.079 8.555 12.855 43 HA LYS 7 HA LYS 7 1.985 10.389 13.634 44 HB2 LYS 7 HB2 LYS 7 4.478 10.359 15.272 45 HB3 LYS 7 HB1 LYS 7 3.454 11.786 15.345 46 HG2 LYS 7 HG2 LYS 7 1.793 10.712 16.448 47 HG3 LYS 7 HG1 LYS 7 2.123 9.164 15.667 48 HD2 LYS 7 HD2 LYS 7 4.199 10.221 17.497 49 HD3 LYS 7 HD1 LYS 7 2.701 9.645 18.231 50 HE2 LYS 7 HE2 LYS 7 3.176 7.623 16.534 51 HE3 LYS 7 HE1 LYS 7 4.832 8.152 16.826 52 HZ1 LYS 7 HZ1 LYS 7 4.770 7.469 18.960 53 HZ2 LYS 7 HZ2 LYS 7 3.573 6.423 18.382 54 HZ3 LYS 7 HZ3 LYS 7 3.136 7.853 19.172 55 H LYS 8 HN LYS 8 1.792 11.537 11.744 56 HA LYS 8 HA LYS 8 3.079 14.050 11.612 57 HB2 LYS 8 HB2 LYS 8 4.200 11.842 9.982 58 HB3 LYS 8 HB1 LYS 8 3.963 13.376 9.156 59 HG2 LYS 8 HG2 LYS 8 5.187 14.277 11.346 60 HG3 LYS 8 HG1 LYS 8 5.861 12.646 11.300 61 HD2 LYS 8 HD2 LYS 8 7.386 13.777 10.006 62 HD3 LYS 8 HD1 LYS 8 6.257 13.217 8.770 63 HE2 LYS 8 HE2 LYS 8 5.547 15.796 9.961 64 HE3 LYS 8 HE1 LYS 8 7.086 15.801 9.102 65 HZ1 LYS 8 HZ1 LYS 8 6.086 15.451 7.118 66 HZ2 LYS 8 HZ2 LYS 8 4.791 16.217 7.889 67 HZ3 LYS 8 HZ3 LYS 8 4.823 14.531 7.768 68 HA PRO 9 HA PRO 9 -0.426 15.024 9.133 69 HB2 PRO 9 HB2 PRO 9 0.550 16.773 7.286 70 HB3 PRO 9 HB1 PRO 9 0.290 17.198 8.981 71 HG2 PRO 9 HG2 PRO 9 2.823 16.412 7.592 72 HG3 PRO 9 HG1 PRO 9 2.551 17.699 8.782 73 HD2 PRO 9 HD2 PRO 9 3.647 15.327 9.456 74 HD3 PRO 9 HD1 PRO 9 2.600 16.234 10.567 75 H VAL 10 HN VAL 10 -1.136 15.280 6.717 76 HA VAL 10 HA VAL 10 0.313 13.514 4.916 77 HB VAL 10 HB VAL 10 -1.447 11.978 4.530 78 HG11 VAL 10 HG11 VAL 10 -0.117 11.463 6.490 79 HG12 VAL 10 HG12 VAL 10 -1.784 10.940 6.731 80 HG13 VAL 10 HG13 VAL 10 -1.202 12.416 7.503 81 HG21 VAL 10 HG21 VAL 10 -3.428 13.168 4.522 82 HG22 VAL 10 HG22 VAL 10 -3.116 13.904 6.094 83 HG23 VAL 10 HG23 VAL 10 -3.583 12.206 5.992 84 HA PRO 11 HA PRO 11 -1.320 16.267 1.880 85 HB2 PRO 11 HB2 PRO 11 -1.233 14.752 -0.342 86 HB3 PRO 11 HB1 PRO 11 0.237 15.301 0.472 87 HG2 PRO 11 HG2 PRO 11 -1.122 12.637 0.609 88 HG3 PRO 11 HG1 PRO 11 0.607 13.005 0.471 89 HD2 PRO 11 HD2 PRO 11 -0.611 12.348 2.827 90 HD3 PRO 11 HD1 PRO 11 0.834 13.373 2.724 91 H ALA 12 HN ALA 12 -2.850 15.902 -0.286 92 HA ALA 12 HA ALA 12 -5.297 14.556 0.639 93 HB1 ALA 12 HB1 ALA 12 -5.537 16.926 1.126 94 HB2 ALA 12 HB2 ALA 12 -6.636 16.446 -0.167 95 HB3 ALA 12 HB3 ALA 12 -5.155 17.324 -0.549 96 H ALA 13 HN ALA 13 -5.935 13.108 -0.803 97 HA ALA 13 HA ALA 13 -6.325 13.651 -3.533 98 HB1 ALA 13 HB1 ALA 13 -3.754 13.462 -3.317 99 HB2 ALA 13 HB2 ALA 13 -4.567 12.610 -4.630 100 HB3 ALA 13 HB3 ALA 13 -4.057 11.729 -3.190 101 H GLU 14 HN GLU 14 -7.157 11.815 -4.713 102 HA GLU 14 HA GLU 14 -7.421 9.236 -3.644 103 HB2 GLU 14 HB2 GLU 14 -9.403 11.222 -2.737 104 HB3 GLU 14 HB1 GLU 14 -10.086 9.724 -3.354 105 HG2 GLU 14 HG2 GLU 14 -8.116 8.792 -1.729 106 HG3 GLU 14 HG1 GLU 14 -8.622 10.251 -0.878 107 H GLU 15 HN GLU 15 -7.167 8.462 -5.678 108 HA GLU 15 HA GLU 15 -9.395 8.231 -7.364 109 HB2 GLU 15 HB2 GLU 15 -8.470 9.512 -9.334 110 HB3 GLU 15 HB1 GLU 15 -9.097 10.496 -8.019 111 HG2 GLU 15 HG2 GLU 15 -6.757 10.750 -7.195 112 HG3 GLU 15 HG1 GLU 15 -6.214 9.932 -8.660 113 H ALA 16 HN ALA 16 -8.760 7.257 -9.540 114 HA ALA 16 HA ALA 16 -6.229 5.771 -9.316 115 HB1 ALA 16 HB1 ALA 16 -8.485 4.324 -10.538 116 HB2 ALA 16 HB2 ALA 16 -8.601 4.597 -8.799 117 HB3 ALA 16 HB3 ALA 16 -7.209 3.746 -9.467 118 HA PRO 17 HA PRO 17 -5.570 6.747 -13.563 119 HB2 PRO 17 HB2 PRO 17 -4.382 4.523 -14.540 120 HB3 PRO 17 HB1 PRO 17 -3.575 5.608 -13.402 121 HG2 PRO 17 HG2 PRO 17 -4.961 3.005 -12.881 122 HG3 PRO 17 HG1 PRO 17 -3.422 3.604 -12.232 123 HD2 PRO 17 HD2 PRO 17 -5.750 3.694 -10.834 124 HD3 PRO 17 HD1 PRO 17 -4.456 4.891 -10.630 125 H ALA 18 HN ALA 18 -6.151 6.262 -15.774 126 HA ALA 18 HA ALA 18 -8.605 4.655 -15.933 127 HB1 ALA 18 HB1 ALA 18 -9.243 6.725 -16.656 128 HB2 ALA 18 HB2 ALA 18 -8.736 6.020 -18.192 129 HB3 ALA 18 HB3 ALA 18 -7.654 7.105 -17.320 130 H ALA 19 HN ALA 19 -7.307 2.693 -16.104 131 HA ALA 19 HA ALA 19 -6.029 2.352 -18.732 132 HB1 ALA 19 HB1 ALA 19 -4.550 0.909 -17.811 133 HB2 ALA 19 HB2 ALA 19 -5.733 0.243 -16.686 134 HB3 ALA 19 HB3 ALA 19 -4.959 1.788 -16.338 135 H GLU 20 HN GLU 20 -6.212 -0.020 -19.523 136 HA GLU 20 HA GLU 20 -8.911 -1.072 -19.054 137 HB2 GLU 20 HB2 GLU 20 -7.691 -0.439 -21.743 138 HB3 GLU 20 HB1 GLU 20 -9.109 -1.458 -21.536 139 HG2 GLU 20 HG2 GLU 20 -10.470 0.284 -21.163 140 HG3 GLU 20 HG1 GLU 20 -9.264 1.159 -20.220 141 H ALA 21 HN ALA 21 -9.175 -3.295 -19.520 142 HA ALA 21 HA ALA 21 -8.547 -5.482 -19.539 143 HB1 ALA 21 HB1 ALA 21 -6.999 -6.180 -21.151 144 HB2 ALA 21 HB2 ALA 21 -6.074 -4.682 -21.040 145 HB3 ALA 21 HB3 ALA 21 -7.666 -4.682 -21.800 146 H GLU 22 HN GLU 22 -6.195 -6.816 -19.326 147 HA GLU 22 HA GLU 22 -5.273 -5.971 -16.681 148 HB2 GLU 22 HB2 GLU 22 -4.828 -8.604 -18.098 149 HB3 GLU 22 HB1 GLU 22 -4.466 -8.247 -16.414 150 HG2 GLU 22 HG2 GLU 22 -6.855 -7.910 -15.983 151 HG3 GLU 22 HG1 GLU 22 -7.203 -8.309 -17.664 152 H ALA 23 HN ALA 23 -3.297 -5.184 -16.343 153 HA ALA 23 HA ALA 23 -1.397 -5.216 -18.582 154 HB1 ALA 23 HB1 ALA 23 -1.994 -3.000 -17.849 155 HB2 ALA 23 HB2 ALA 23 -0.314 -3.319 -17.420 156 HB3 ALA 23 HB3 ALA 23 -1.570 -3.397 -16.184 157 H GLU 24 HN GLU 24 -1.015 -4.993 -15.047 158 HA GLU 24 HA GLU 24 1.487 -6.250 -14.989 159 HB2 GLU 24 HB2 GLU 24 1.001 -6.557 -12.535 160 HB3 GLU 24 HB1 GLU 24 0.846 -4.910 -13.128 161 HG2 GLU 24 HG2 GLU 24 -1.630 -6.470 -13.210 162 HG3 GLU 24 HG1 GLU 24 -0.984 -6.193 -11.593 163 H GLU 25 HN GLU 25 1.888 -8.257 -15.639 164 HA GLU 25 HA GLU 25 -0.095 -10.354 -15.078 165 HB2 GLU 25 HB2 GLU 25 1.910 -9.938 -17.240 166 HB3 GLU 25 HB1 GLU 25 1.550 -11.593 -16.768 167 HG2 GLU 25 HG2 GLU 25 -0.915 -10.902 -17.072 168 HG3 GLU 25 HG1 GLU 25 -0.255 -9.543 -17.981 169 H GLU 26 HN GLU 26 0.497 -10.789 -12.946 170 HA GLU 26 HA GLU 26 3.220 -11.825 -12.543 171 HB2 GLU 26 HB2 GLU 26 2.862 -11.472 -10.161 172 HB3 GLU 26 HB1 GLU 26 2.557 -9.985 -11.049 173 HG2 GLU 26 HG2 GLU 26 0.096 -10.676 -10.992 174 HG3 GLU 26 HG1 GLU 26 0.588 -11.831 -9.754 175 H GLU 27 HN GLU 27 -0.193 -12.521 -11.876 176 HA GLU 27 HA GLU 27 0.042 -15.268 -12.399 177 HB2 GLU 27 HB2 GLU 27 1.248 -14.855 -10.074 178 HB3 GLU 27 HB1 GLU 27 -0.404 -14.896 -9.473 179 HG2 GLU 27 HG2 GLU 27 -0.664 -17.108 -10.623 180 HG3 GLU 27 HG1 GLU 27 1.070 -17.065 -10.940 181 H GLY 28 HN GLY 28 -1.955 -16.395 -12.177 182 HA2 GLY 28 HA2 GLY 28 -4.235 -14.835 -12.640 183 HA3 GLY 28 HA1 GLY 28 -4.243 -16.551 -12.261 184 H LEU 29 HN LEU 29 -5.864 -14.085 -11.401 185 HA LEU 29 HA LEU 29 -6.521 -14.991 -8.828 186 HB2 LEU 29 HB2 LEU 29 -4.206 -13.650 -8.661 187 HB3 LEU 29 HB1 LEU 29 -5.314 -12.296 -8.544 188 HG LEU 29 HG LEU 29 -5.732 -14.658 -6.765 189 HD11 LEU 29 HD11 LEU 29 -4.275 -13.136 -5.144 190 HD12 LEU 29 HD12 LEU 29 -3.463 -12.758 -6.663 191 HD13 LEU 29 HD13 LEU 29 -3.570 -14.430 -6.113 192 HD21 LEU 29 HD21 LEU 29 -6.501 -12.851 -5.238 193 HD22 LEU 29 HD22 LEU 29 -7.419 -12.954 -6.741 194 HD23 LEU 29 HD23 LEU 29 -6.206 -11.691 -6.533 195 H HIS 30 HN HIS 30 -8.418 -14.092 -8.106 196 HA HIS 30 HA HIS 30 -9.872 -12.505 -10.009 197 HB2 HIS 30 HB2 HIS 30 -10.674 -14.415 -8.335 198 HB3 HIS 30 HB1 HIS 30 -10.964 -13.031 -7.286 199 HD1 HIS 30 HD1 HIS 30 -13.390 -12.571 -7.372 200 HD2 HIS 30 HD2 HIS 30 -11.854 -13.463 -11.128 201 HE1 HIS 30 HE1 HIS 30 -15.310 -12.280 -8.970 202 HE2 HIS 30 HE2 HIS 30 -14.378 -12.908 -11.224 203 H LEU 31 HN LEU 31 -8.714 -10.534 -10.012 204 HA LEU 31 HA LEU 31 -9.687 -8.623 -8.128 205 HB2 LEU 31 HB2 LEU 31 -7.487 -9.892 -7.219 206 HB3 LEU 31 HB1 LEU 31 -6.728 -8.611 -8.144 207 HG LEU 31 HG LEU 31 -7.862 -6.922 -6.823 208 HD11 LEU 31 HD11 LEU 31 -9.953 -7.831 -6.312 209 HD12 LEU 31 HD12 LEU 31 -9.122 -7.748 -4.758 210 HD13 LEU 31 HD13 LEU 31 -9.250 -9.288 -5.609 211 HD21 LEU 31 HD21 LEU 31 -5.925 -7.264 -5.714 212 HD22 LEU 31 HD22 LEU 31 -6.189 -9.002 -5.567 213 HD23 LEU 31 HD23 LEU 31 -7.005 -7.890 -4.468 214 H GLU 32 HN GLU 32 -8.661 -6.410 -8.573 215 HA GLU 32 HA GLU 32 -8.260 -4.718 -10.038 216 HB2 GLU 32 HB2 GLU 32 -6.835 -6.835 -11.659 217 HB3 GLU 32 HB1 GLU 32 -6.648 -5.095 -11.828 218 HG2 GLU 32 HG2 GLU 32 -4.891 -5.341 -10.485 219 HG3 GLU 32 HG1 GLU 32 -6.078 -5.466 -9.188 220 H ASP 33 HN ASP 33 -10.583 -4.755 -10.430 221 HA ASP 33 HA ASP 33 -11.137 -5.133 -13.260 222 HB2 ASP 33 HB2 ASP 33 -11.795 -7.251 -11.986 223 HB3 ASP 33 HB1 ASP 33 -13.051 -6.276 -11.229 224 H ASP 34 HN ASP 34 -12.469 -4.177 -10.108 225 HA ASP 34 HA ASP 34 -13.983 -2.048 -11.455 226 HB2 ASP 34 HB2 ASP 34 -14.393 -3.592 -8.935 227 HB3 ASP 34 HB1 ASP 34 -14.994 -1.938 -9.001 228 H GLN 35 HN GLN 35 -11.923 -2.642 -8.618 229 HA GLN 35 HA GLN 35 -10.419 -0.296 -8.937 230 HB2 GLN 35 HB2 GLN 35 -12.919 -0.019 -7.423 231 HB3 GLN 35 HB1 GLN 35 -11.497 0.548 -6.558 232 HG2 GLN 35 HG2 GLN 35 -11.578 1.456 -9.319 233 HG3 GLN 35 HG1 GLN 35 -12.971 1.982 -8.374 234 HE21 GLN 35 HE21 GLN 35 -9.439 1.823 -8.283 235 HE22 GLN 35 HE22 GLN 35 -9.219 3.293 -7.403 236 H GLU 36 HN GLU 36 -9.517 0.296 -6.495 237 HA GLU 36 HA GLU 36 -8.486 -2.281 -5.535 238 HB2 GLU 36 HB2 GLU 36 -7.371 0.504 -5.563 239 HB3 GLU 36 HB1 GLU 36 -6.751 -0.686 -4.427 240 HG2 GLU 36 HG2 GLU 36 -5.306 -0.796 -6.251 241 HG3 GLU 36 HG1 GLU 36 -6.376 -2.184 -6.447 242 HA PRO 37 HA PRO 37 -11.256 -1.095 -2.073 243 HB2 PRO 37 HB2 PRO 37 -11.614 -3.642 -1.190 244 HB3 PRO 37 HB1 PRO 37 -12.565 -2.932 -2.499 245 HG2 PRO 37 HG2 PRO 37 -10.194 -4.752 -2.652 246 HG3 PRO 37 HG1 PRO 37 -11.699 -4.793 -3.590 247 HD2 PRO 37 HD2 PRO 37 -9.405 -3.759 -4.578 248 HD3 PRO 37 HD1 PRO 37 -11.003 -3.121 -5.018 249 H ARG 38 HN ARG 38 -11.141 -2.377 0.276 250 HA ARG 38 HA ARG 38 -8.518 -3.068 1.129 251 HB2 ARG 38 HB2 ARG 38 -7.913 -1.158 2.403 252 HB3 ARG 38 HB1 ARG 38 -8.332 -0.570 0.802 253 HG2 ARG 38 HG2 ARG 38 -10.012 -0.412 3.293 254 HG3 ARG 38 HG1 ARG 38 -9.239 0.921 2.436 255 HD2 ARG 38 HD2 ARG 38 -11.489 -0.818 1.433 256 HD3 ARG 38 HD1 ARG 38 -11.592 0.876 1.906 257 HE ARG 38 HE ARG 38 -9.703 0.422 -0.196 258 HH11 ARG 38 HH11 ARG 38 -13.083 0.913 0.515 259 HH12 ARG 38 HH12 ARG 38 -13.452 1.539 -1.057 260 HH21 ARG 38 HH21 ARG 38 -10.185 1.245 -2.264 261 HH22 ARG 38 HH22 ARG 38 -11.807 1.727 -2.635 262 H GLU 39 HN GLU 39 -8.617 -2.449 3.793 263 HA GLU 39 HA GLU 39 -11.215 -3.380 4.767 264 HB2 GLU 39 HB2 GLU 39 -10.198 -5.116 6.138 265 HB3 GLU 39 HB1 GLU 39 -9.839 -5.392 4.439 266 HG2 GLU 39 HG2 GLU 39 -7.609 -4.751 4.683 267 HG3 GLU 39 HG1 GLU 39 -7.914 -3.954 6.226 268 H HIS 40 HN HIS 40 -10.800 -3.665 7.374 269 HA HIS 40 HA HIS 40 -9.746 -1.046 8.212 270 HB2 HIS 40 HB2 HIS 40 -11.871 -2.727 9.556 271 HB3 HIS 40 HB1 HIS 40 -11.343 -1.124 10.056 272 HD1 HIS 40 HD1 HIS 40 -12.947 0.616 9.377 273 HD2 HIS 40 HD2 HIS 40 -12.840 -2.516 6.648 274 HE1 HIS 40 HE1 HIS 40 -14.619 1.217 7.598 275 HE2 HIS 40 HE2 HIS 40 -14.599 -0.733 6.003 276 HA PRO 41 HA PRO 41 -6.810 -3.909 10.220 277 HB2 PRO 41 HB2 PRO 41 -4.901 -2.020 10.652 278 HB3 PRO 41 HB1 PRO 41 -5.090 -2.868 9.113 279 HG2 PRO 41 HG2 PRO 41 -6.048 -0.146 9.906 280 HG3 PRO 41 HG1 PRO 41 -5.289 -0.667 8.391 281 HD2 PRO 41 HD2 PRO 41 -7.957 -0.313 8.624 282 HD3 PRO 41 HD1 PRO 41 -7.253 -1.550 7.563 283 H ILE 42 HN ILE 42 -5.572 -3.669 12.338 284 HA ILE 42 HA ILE 42 -7.288 -2.262 14.273 285 HB ILE 42 HB ILE 42 -7.262 -4.720 14.493 286 HG12 ILE 42 HG12 ILE 42 -6.763 -4.798 16.904 287 HG13 ILE 42 HG11 ILE 42 -5.901 -3.269 16.775 288 HG21 ILE 42 HG21 ILE 42 -4.539 -4.804 15.587 289 HG22 ILE 42 HG22 ILE 42 -4.640 -4.582 13.841 290 HG23 ILE 42 HG23 ILE 42 -5.406 -5.979 14.598 291 HD11 ILE 42 HD11 ILE 42 -7.786 -2.172 17.116 292 HD12 ILE 42 HD12 ILE 42 -8.642 -3.707 17.268 293 HD13 ILE 42 HD13 ILE 42 -8.504 -2.925 15.693 294 H MET 43 HN MET 43 -6.276 -1.323 16.149 295 HA MET 43 HA MET 43 -4.135 0.347 15.598 296 HB2 MET 43 HB2 MET 43 -4.002 0.652 18.096 297 HB3 MET 43 HB1 MET 43 -5.595 0.903 17.395 298 HG2 MET 43 HG2 MET 43 -5.724 -1.724 18.022 299 HG3 MET 43 HG1 MET 43 -4.660 -1.127 19.293 300 HE1 MET 43 HE1 MET 43 -8.023 -1.953 20.601 301 HE2 MET 43 HE2 MET 43 -7.385 -2.495 19.049 302 HE3 MET 43 HE3 MET 43 -8.830 -1.485 19.105 303 H GLY 44 HN GLY 44 -1.950 0.345 16.114 304 HA2 GLY 44 HA2 GLY 44 -0.740 -1.913 17.440 305 HA3 GLY 44 HA1 GLY 44 -0.444 -1.875 15.709 306 H GLY 45 HN GLY 45 1.755 -1.520 15.854 307 HA2 GLY 45 HA2 GLY 45 2.490 1.191 16.744 308 HA3 GLY 45 HA1 GLY 45 3.445 -0.189 17.265 309 H ILE 46 HN ILE 46 5.346 0.278 16.265 310 HA ILE 46 HA ILE 46 5.284 0.647 13.346 311 HB ILE 46 HB ILE 46 7.642 1.182 15.144 312 HG12 ILE 46 HG12 ILE 46 5.840 2.618 15.901 313 HG13 ILE 46 HG11 ILE 46 7.002 3.581 14.994 314 HG21 ILE 46 HG21 ILE 46 7.048 1.472 12.278 315 HG22 ILE 46 HG22 ILE 46 8.588 1.226 13.103 316 HG23 ILE 46 HG23 ILE 46 7.877 2.838 13.024 317 HD11 ILE 46 HD11 ILE 46 4.227 3.361 14.597 318 HD12 ILE 46 HD12 ILE 46 5.010 2.617 13.203 319 HD13 ILE 46 HD13 ILE 46 5.397 4.279 13.650 320 H TYR 47 HN TYR 47 5.017 -1.929 14.681 321 HA TYR 47 HA TYR 47 6.744 -3.460 13.091 322 HB2 TYR 47 HB2 TYR 47 8.190 -2.512 15.141 323 HB3 TYR 47 HB1 TYR 47 7.512 -3.936 15.922 324 HD1 TYR 47 HD1 TYR 47 9.533 -2.804 13.030 325 HD2 TYR 47 HD2 TYR 47 8.359 -6.092 15.460 326 HE1 TYR 47 HE1 TYR 47 11.257 -4.197 11.967 327 HE2 TYR 47 HE2 TYR 47 10.081 -7.495 14.405 328 HH TYR 47 HH TYR 47 12.606 -6.429 12.822 329 H ASP 48 HN ASP 48 5.325 -5.001 12.614 330 HA ASP 48 HA ASP 48 4.484 -6.924 14.478 331 HB2 ASP 48 HB2 ASP 48 2.969 -4.686 14.778 332 HB3 ASP 48 HB1 ASP 48 2.027 -5.557 13.572 333 H ALA 49 HN ALA 49 2.153 -7.856 13.328 334 HA ALA 49 HA ALA 49 2.725 -8.114 10.466 335 HB1 ALA 49 HB1 ALA 49 2.191 -10.531 12.177 336 HB2 ALA 49 HB2 ALA 49 3.817 -9.983 11.769 337 HB3 ALA 49 HB3 ALA 49 2.708 -10.481 10.491 338 HA PRO 50 HA PRO 50 -1.811 -7.500 11.637 339 HB2 PRO 50 HB2 PRO 50 -1.583 -5.539 9.430 340 HB3 PRO 50 HB1 PRO 50 -2.331 -5.362 11.020 341 HG2 PRO 50 HG2 PRO 50 -0.009 -4.172 10.454 342 HG3 PRO 50 HG1 PRO 50 -0.320 -4.863 12.057 343 HD2 PRO 50 HD2 PRO 50 1.299 -5.970 9.795 344 HD3 PRO 50 HD1 PRO 50 1.644 -5.977 11.538 345 H LEU 51 HN LEU 51 0.028 -8.128 8.764 346 HA LEU 51 HA LEU 51 -2.014 -8.579 6.914 347 HB2 LEU 51 HB2 LEU 51 0.687 -8.683 6.835 348 HB3 LEU 51 HB1 LEU 51 0.313 -10.395 6.803 349 HG LEU 51 HG LEU 51 0.542 -9.676 4.546 350 HD11 LEU 51 HD11 LEU 51 -1.497 -10.373 3.619 351 HD12 LEU 51 HD12 LEU 51 -2.429 -9.743 4.977 352 HD13 LEU 51 HD13 LEU 51 -1.414 -11.170 5.190 353 HD21 LEU 51 HD21 LEU 51 -1.659 -7.716 4.607 354 HD22 LEU 51 HD22 LEU 51 -0.151 -7.706 3.693 355 HD23 LEU 51 HD23 LEU 51 -0.158 -7.218 5.388 356 H ASN 52 HN ASN 52 -3.725 -9.619 7.998 357 HA ASN 52 HA ASN 52 -3.269 -12.339 8.955 358 HB2 ASN 52 HB2 ASN 52 -4.817 -10.400 9.988 359 HB3 ASN 52 HB1 ASN 52 -6.002 -11.176 8.941 360 HD21 ASN 52 HD21 ASN 52 -6.086 -13.595 9.147 361 HD22 ASN 52 HD22 ASN 52 -5.985 -14.246 10.744 362 H ASN 53 HN ASN 53 -4.947 -10.581 6.416 363 HA ASN 53 HA ASN 53 -5.989 -13.067 5.295 364 HB2 ASN 53 HB2 ASN 53 -6.609 -10.190 4.993 365 HB3 ASN 53 HB1 ASN 53 -6.785 -11.166 3.538 366 HD21 ASN 53 HD21 ASN 53 -7.486 -11.558 6.999 367 HD22 ASN 53 HD22 ASN 53 -9.106 -12.116 6.779 368 H GLU 54 HN GLU 54 -3.846 -13.874 4.777 369 HA GLU 54 HA GLU 54 -2.426 -12.497 2.637 370 HB2 GLU 54 HB2 GLU 54 -0.736 -14.299 2.941 371 HB3 GLU 54 HB1 GLU 54 -1.048 -13.373 4.403 372 HG2 GLU 54 HG2 GLU 54 -2.711 -15.762 4.110 373 HG3 GLU 54 HG1 GLU 54 -0.983 -16.083 4.248 374 H ASN 55 HN ASN 55 -5.102 -14.032 2.422 375 HA ASN 55 HA ASN 55 -4.743 -16.335 0.888 376 HB2 ASN 55 HB2 ASN 55 -6.994 -14.347 0.552 377 HB3 ASN 55 HB1 ASN 55 -7.030 -16.073 0.202 378 HD21 ASN 55 HD21 ASN 55 -7.268 -13.640 2.619 379 HD22 ASN 55 HD22 ASN 55 -7.699 -14.677 3.931 380 H GLY 56 HN GLY 56 -4.555 -12.955 0.028 381 HA2 GLY 56 HA2 GLY 56 -2.992 -12.680 -1.954 382 HA3 GLY 56 HA1 GLY 56 -4.132 -13.722 -2.791 383 H PHE 57 HN PHE 57 -6.551 -12.768 -2.127 384 HA PHE 57 HA PHE 57 -6.852 -10.525 -3.767 385 HB2 PHE 57 HB2 PHE 57 -8.810 -11.353 -1.625 386 HB3 PHE 57 HB1 PHE 57 -9.156 -10.543 -3.149 387 HD1 PHE 57 HD2 PHE 57 -8.957 -11.797 -5.280 388 HD2 PHE 57 HD1 PHE 57 -8.644 -13.706 -1.490 389 HE1 PHE 57 HE2 PHE 57 -9.363 -13.976 -6.349 390 HE2 PHE 57 HE1 PHE 57 -9.048 -15.889 -2.551 391 HZ PHE 57 HZ PHE 57 -9.409 -16.025 -4.984 392 H ASP 58 HN ASP 58 -6.806 -10.785 -0.229 393 HA ASP 58 HA ASP 58 -7.278 -8.027 0.244 394 HB2 ASP 58 HB2 ASP 58 -7.468 -10.113 1.838 395 HB3 ASP 58 HB1 ASP 58 -5.791 -9.724 2.209 396 H LYS 59 HN LYS 59 -4.300 -9.976 0.487 397 HA LYS 59 HA LYS 59 -2.553 -7.886 1.057 398 HB2 LYS 59 HB2 LYS 59 -0.795 -9.373 0.571 399 HB3 LYS 59 HB1 LYS 59 -2.109 -10.399 1.124 400 HG2 LYS 59 HG2 LYS 59 -2.667 -10.896 -1.227 401 HG3 LYS 59 HG1 LYS 59 -1.273 -9.938 -1.730 402 HD2 LYS 59 HD2 LYS 59 -0.918 -12.166 0.233 403 HD3 LYS 59 HD1 LYS 59 -1.059 -12.528 -1.489 404 HE2 LYS 59 HE2 LYS 59 0.975 -11.682 -1.963 405 HE3 LYS 59 HE1 LYS 59 0.803 -10.355 -0.815 406 HZ1 LYS 59 HZ1 LYS 59 1.495 -13.165 -0.149 407 HZ2 LYS 59 HZ2 LYS 59 1.272 -11.927 0.981 408 HZ3 LYS 59 HZ3 LYS 59 2.551 -11.843 -0.123 409 H GLU 60 HN GLU 60 -3.508 -9.224 -2.088 410 HA GLU 60 HA GLU 60 -1.848 -7.534 -3.632 411 HB2 GLU 60 HB2 GLU 60 -4.333 -9.105 -4.299 412 HB3 GLU 60 HB1 GLU 60 -3.457 -8.167 -5.500 413 HG2 GLU 60 HG2 GLU 60 -1.535 -9.738 -4.205 414 HG3 GLU 60 HG1 GLU 60 -2.918 -10.793 -4.490 415 H ASP 61 HN ASP 61 -5.203 -7.273 -2.552 416 HA ASP 61 HA ASP 61 -5.948 -5.020 -4.020 417 HB2 ASP 61 HB2 ASP 61 -6.886 -6.325 -1.522 418 HB3 ASP 61 HB1 ASP 61 -7.400 -4.662 -1.787 419 H LEU 62 HN LEU 62 -4.568 -5.217 -0.746 420 HA LEU 62 HA LEU 62 -4.454 -2.430 -0.319 421 HB2 LEU 62 HB2 LEU 62 -4.355 -3.893 1.561 422 HB3 LEU 62 HB1 LEU 62 -2.961 -4.736 0.915 423 HG LEU 62 HG LEU 62 -1.491 -3.001 1.475 424 HD11 LEU 62 HD11 LEU 62 -2.241 -0.979 0.816 425 HD12 LEU 62 HD12 LEU 62 -2.706 -0.842 2.512 426 HD13 LEU 62 HD13 LEU 62 -3.903 -1.313 1.305 427 HD21 LEU 62 HD21 LEU 62 -3.533 -3.643 3.513 428 HD22 LEU 62 HD22 LEU 62 -2.435 -2.312 3.878 429 HD23 LEU 62 HD23 LEU 62 -1.790 -3.915 3.524 430 H ALA 63 HN ALA 63 -1.917 -4.742 -1.288 431 HA ALA 63 HA ALA 63 0.178 -2.940 -1.567 432 HB1 ALA 63 HB1 ALA 63 0.281 -5.462 -1.685 433 HB2 ALA 63 HB2 ALA 63 1.296 -4.592 -2.837 434 HB3 ALA 63 HB3 ALA 63 -0.223 -5.315 -3.369 435 H ARG 64 HN ARG 64 -2.031 -4.107 -4.114 436 HA ARG 64 HA ARG 64 -1.046 -2.446 -6.151 437 HB2 ARG 64 HB2 ARG 64 -2.796 -4.484 -6.099 438 HB3 ARG 64 HB1 ARG 64 -3.930 -3.143 -6.185 439 HG2 ARG 64 HG2 ARG 64 -1.689 -3.671 -8.125 440 HG3 ARG 64 HG1 ARG 64 -3.397 -4.022 -8.395 441 HD2 ARG 64 HD2 ARG 64 -3.749 -1.512 -7.891 442 HD3 ARG 64 HD1 ARG 64 -2.019 -1.369 -8.200 443 HE ARG 64 HE ARG 64 -2.485 -1.508 -10.421 444 HH11 ARG 64 HH11 ARG 64 -5.103 -3.016 -8.673 445 HH12 ARG 64 HH12 ARG 64 -6.041 -3.325 -10.095 446 HH21 ARG 64 HH21 ARG 64 -3.718 -1.914 -12.293 447 HH22 ARG 64 HH22 ARG 64 -5.255 -2.699 -12.150 448 H PHE 65 HN PHE 65 -3.468 -1.931 -3.667 449 HA PHE 65 HA PHE 65 -4.648 0.401 -4.669 450 HB2 PHE 65 HB2 PHE 65 -5.607 -0.842 -2.799 451 HB3 PHE 65 HB1 PHE 65 -4.215 -0.449 -1.797 452 HD1 PHE 65 HD2 PHE 65 -6.684 1.392 -3.913 453 HD2 PHE 65 HD1 PHE 65 -4.560 1.178 -0.232 454 HE1 PHE 65 HE2 PHE 65 -7.822 3.432 -3.143 455 HE2 PHE 65 HE1 PHE 65 -5.695 3.218 0.545 456 HZ PHE 65 HZ PHE 65 -7.328 4.349 -0.911 457 H ALA 66 HN ALA 66 -2.115 0.145 -2.163 458 HA ALA 66 HA ALA 66 -1.539 2.881 -2.037 459 HB1 ALA 66 HB1 ALA 66 -0.790 1.523 -0.260 460 HB2 ALA 66 HB2 ALA 66 0.668 2.099 -1.067 461 HB3 ALA 66 HB3 ALA 66 0.096 0.454 -1.347 462 H VAL 67 HN VAL 67 0.222 0.301 -3.760 463 HA VAL 67 HA VAL 67 2.171 1.828 -4.972 464 HB VAL 67 HB VAL 67 0.751 -0.522 -6.235 465 HG11 VAL 67 HG11 VAL 67 3.564 0.465 -6.675 466 HG12 VAL 67 HG12 VAL 67 2.206 0.825 -7.742 467 HG13 VAL 67 HG13 VAL 67 2.742 -0.841 -7.528 468 HG21 VAL 67 HG21 VAL 67 1.845 -1.931 -4.877 469 HG22 VAL 67 HG22 VAL 67 2.020 -0.531 -3.818 470 HG23 VAL 67 HG23 VAL 67 3.326 -0.974 -4.917 471 H ARG 68 HN ARG 68 -1.000 0.961 -6.354 472 HA ARG 68 HA ARG 68 -0.718 2.547 -8.671 473 HB2 ARG 68 HB2 ARG 68 -2.315 0.723 -8.583 474 HB3 ARG 68 HB1 ARG 68 -3.196 1.514 -7.283 475 HG2 ARG 68 HG2 ARG 68 -4.125 3.088 -8.689 476 HG3 ARG 68 HG1 ARG 68 -2.857 2.903 -9.903 477 HD2 ARG 68 HD2 ARG 68 -4.477 0.501 -9.356 478 HD3 ARG 68 HD1 ARG 68 -5.328 1.840 -10.124 479 HE ARG 68 HE ARG 68 -2.822 1.194 -11.375 480 HH11 ARG 68 HH11 ARG 68 -6.229 0.449 -11.243 481 HH12 ARG 68 HH12 ARG 68 -6.278 -0.193 -12.850 482 HH21 ARG 68 HH21 ARG 68 -2.885 0.351 -13.489 483 HH22 ARG 68 HH22 ARG 68 -4.380 -0.249 -14.126 484 H GLU 69 HN GLU 69 -1.866 3.227 -5.441 485 HA GLU 69 HA GLU 69 -3.222 5.631 -5.941 486 HB2 GLU 69 HB2 GLU 69 -3.357 4.399 -3.810 487 HB3 GLU 69 HB1 GLU 69 -1.686 4.823 -3.464 488 HG2 GLU 69 HG2 GLU 69 -3.317 6.223 -2.265 489 HG3 GLU 69 HG1 GLU 69 -2.247 7.150 -3.316 490 H TYR 70 HN TYR 70 0.183 4.984 -5.211 491 HA TYR 70 HA TYR 70 0.817 7.816 -5.509 492 HB2 TYR 70 HB2 TYR 70 2.707 7.405 -4.313 493 HB3 TYR 70 HB1 TYR 70 1.809 5.980 -3.808 494 HD1 TYR 70 HD1 TYR 70 2.251 3.791 -4.995 495 HD2 TYR 70 HD2 TYR 70 4.742 7.203 -5.483 496 HE1 TYR 70 HE1 TYR 70 4.047 2.348 -5.854 497 HE2 TYR 70 HE2 TYR 70 6.546 5.771 -6.345 498 HH TYR 70 HH TYR 70 6.426 2.342 -6.145 499 H ASN 71 HN ASN 71 0.730 4.996 -7.408 500 HA ASN 71 HA ASN 71 2.781 5.888 -9.261 501 HB2 ASN 71 HB2 ASN 71 2.398 3.458 -8.667 502 HB3 ASN 71 HB1 ASN 71 0.903 3.547 -9.595 503 HD21 ASN 71 HD21 ASN 71 4.372 4.193 -9.865 504 HD22 ASN 71 HD22 ASN 71 4.510 3.709 -11.517 505 H ASN 72 HN ASN 72 -0.610 6.223 -8.854 506 HA ASN 72 HA ASN 72 -1.119 6.729 -11.663 507 HB2 ASN 72 HB2 ASN 72 -3.387 6.780 -11.128 508 HB3 ASN 72 HB1 ASN 72 -2.741 5.642 -9.953 509 HD21 ASN 72 HD21 ASN 72 -2.742 6.160 -7.804 510 HD22 ASN 72 HD22 ASN 72 -3.541 7.553 -7.167 511 H LYS 73 HN LYS 73 -0.674 8.547 -8.696 512 HA LYS 73 HA LYS 73 -1.639 11.014 -9.303 513 HB2 LYS 73 HB2 LYS 73 0.558 11.849 -8.082 514 HB3 LYS 73 HB1 LYS 73 -0.731 11.026 -7.216 515 HG2 LYS 73 HG2 LYS 73 0.493 9.163 -6.875 516 HG3 LYS 73 HG1 LYS 73 1.419 9.349 -8.363 517 HD2 LYS 73 HD2 LYS 73 2.078 11.564 -6.774 518 HD3 LYS 73 HD1 LYS 73 2.082 10.176 -5.683 519 HE2 LYS 73 HE2 LYS 73 3.818 9.156 -6.772 520 HE3 LYS 73 HE1 LYS 73 3.422 9.899 -8.322 521 HZ1 LYS 73 HZ1 LYS 73 5.096 10.886 -6.167 522 HZ2 LYS 73 HZ2 LYS 73 4.105 12.042 -6.903 523 HZ3 LYS 73 HZ3 LYS 73 5.204 11.155 -7.834 524 H ASN 74 HN ASN 74 1.872 10.721 -9.593 525 HA ASN 74 HA ASN 74 1.791 11.619 -12.358 526 HB2 ASN 74 HB2 ASN 74 3.374 13.503 -11.816 527 HB3 ASN 74 HB1 ASN 74 1.729 13.728 -11.225 528 HD21 ASN 74 HD21 ASN 74 4.854 12.406 -10.186 529 HD22 ASN 74 HD22 ASN 74 4.741 12.957 -8.558 530 H ASN 75 HN ASN 75 2.870 9.379 -10.459 531 HA ASN 75 HA ASN 75 5.713 9.525 -10.937 532 HB2 ASN 75 HB2 ASN 75 4.106 8.218 -9.075 533 HB3 ASN 75 HB1 ASN 75 4.725 6.919 -10.090 534 HD21 ASN 75 HD21 ASN 75 6.679 6.170 -9.671 535 HD22 ASN 75 HD22 ASN 75 7.859 6.935 -8.667 536 H ALA 76 HN ALA 76 6.356 6.897 -11.503 537 HA ALA 76 HA ALA 76 5.895 6.824 -14.340 538 HB1 ALA 76 HB1 ALA 76 7.726 5.519 -14.433 539 HB2 ALA 76 HB2 ALA 76 7.199 4.505 -13.089 540 HB3 ALA 76 HB3 ALA 76 7.969 6.059 -12.772 541 H LEU 77 HN LEU 77 5.874 4.054 -14.819 542 HA LEU 77 HA LEU 77 3.257 3.244 -13.738 543 HB2 LEU 77 HB2 LEU 77 3.828 3.942 -16.385 544 HB3 LEU 77 HB1 LEU 77 3.762 2.190 -16.387 545 HG LEU 77 HG LEU 77 1.590 3.075 -16.944 546 HD11 LEU 77 HD11 LEU 77 1.112 1.152 -15.859 547 HD12 LEU 77 HD12 LEU 77 0.386 2.262 -14.696 548 HD13 LEU 77 HD13 LEU 77 2.003 1.617 -14.410 549 HD21 LEU 77 HD21 LEU 77 0.465 4.285 -14.837 550 HD22 LEU 77 HD22 LEU 77 1.275 5.165 -16.134 551 HD23 LEU 77 HD23 LEU 77 2.130 4.830 -14.629 552 H LEU 78 HN LEU 78 4.222 1.872 -12.225 553 HA LEU 78 HA LEU 78 5.692 -0.423 -13.338 554 HB2 LEU 78 HB2 LEU 78 6.252 -0.745 -10.811 555 HB3 LEU 78 HB1 LEU 78 7.136 0.428 -11.767 556 HG LEU 78 HG LEU 78 5.649 2.213 -10.870 557 HD11 LEU 78 HD11 LEU 78 4.397 -0.138 -9.593 558 HD12 LEU 78 HD12 LEU 78 3.682 1.385 -10.123 559 HD13 LEU 78 HD13 LEU 78 4.566 1.309 -8.598 560 HD21 LEU 78 HD21 LEU 78 7.568 2.311 -9.686 561 HD22 LEU 78 HD22 LEU 78 7.533 0.595 -9.279 562 HD23 LEU 78 HD23 LEU 78 6.534 1.736 -8.378 563 H GLU 79 HN GLU 79 5.402 -2.364 -11.599 564 HA GLU 79 HA GLU 79 2.594 -2.621 -10.853 565 HB2 GLU 79 HB2 GLU 79 2.487 -4.867 -11.986 566 HB3 GLU 79 HB1 GLU 79 2.509 -3.484 -13.071 567 HG2 GLU 79 HG2 GLU 79 4.846 -3.843 -13.547 568 HG3 GLU 79 HG1 GLU 79 4.911 -5.157 -12.374 569 H PHE 80 HN PHE 80 2.376 -3.630 -8.964 570 HA PHE 80 HA PHE 80 4.686 -4.640 -7.605 571 HB2 PHE 80 HB2 PHE 80 3.459 -4.406 -5.712 572 HB3 PHE 80 HB1 PHE 80 2.397 -3.466 -6.752 573 HD1 PHE 80 HD1 PHE 80 0.389 -4.598 -7.766 574 HD2 PHE 80 HD2 PHE 80 2.725 -6.373 -4.684 575 HE1 PHE 80 HE1 PHE 80 -1.462 -6.137 -7.256 576 HE2 PHE 80 HE2 PHE 80 0.879 -7.917 -4.168 577 HZ PHE 80 HZ PHE 80 -1.217 -7.800 -5.457 578 H VAL 81 HN VAL 81 5.024 -6.761 -6.831 579 HA VAL 81 HA VAL 81 3.709 -8.815 -8.471 580 HB VAL 81 HB VAL 81 5.668 -10.254 -7.807 581 HG11 VAL 81 HG11 VAL 81 7.169 -9.278 -9.436 582 HG12 VAL 81 HG12 VAL 81 6.349 -7.723 -9.299 583 HG13 VAL 81 HG13 VAL 81 5.501 -9.109 -9.984 584 HG21 VAL 81 HG21 VAL 81 6.955 -7.668 -6.966 585 HG22 VAL 81 HG22 VAL 81 7.597 -9.304 -6.826 586 HG23 VAL 81 HG23 VAL 81 6.243 -8.799 -5.816 587 H ARG 82 HN ARG 82 4.575 -7.954 -5.171 588 HA ARG 82 HA ARG 82 2.412 -9.189 -3.970 589 HB2 ARG 82 HB2 ARG 82 3.507 -11.146 -2.880 590 HB3 ARG 82 HB1 ARG 82 3.275 -11.328 -4.614 591 HG2 ARG 82 HG2 ARG 82 5.680 -10.413 -4.779 592 HG3 ARG 82 HG1 ARG 82 5.789 -10.880 -3.083 593 HD2 ARG 82 HD2 ARG 82 5.756 -13.095 -3.552 594 HD3 ARG 82 HD1 ARG 82 4.652 -12.896 -4.912 595 HE ARG 82 HE ARG 82 6.457 -12.761 -6.310 596 HH11 ARG 82 HH11 ARG 82 7.543 -12.290 -3.027 597 HH12 ARG 82 HH12 ARG 82 9.223 -12.326 -3.445 598 HH21 ARG 82 HH21 ARG 82 8.667 -12.810 -6.861 599 HH22 ARG 82 HH22 ARG 82 9.861 -12.621 -5.621 600 H VAL 83 HN VAL 83 2.642 -9.348 -1.568 601 HA VAL 83 HA VAL 83 4.347 -7.176 -0.652 602 HB VAL 83 HB VAL 83 3.000 -7.065 1.294 603 HG11 VAL 83 HG11 VAL 83 1.915 -6.862 -1.267 604 HG12 VAL 83 HG12 VAL 83 1.303 -6.125 0.213 605 HG13 VAL 83 HG13 VAL 83 0.690 -7.694 -0.308 606 HG21 VAL 83 HG21 VAL 83 1.089 -8.830 1.511 607 HG22 VAL 83 HG22 VAL 83 2.708 -9.204 2.103 608 HG23 VAL 83 HG23 VAL 83 2.170 -9.834 0.545 609 H VAL 84 HN VAL 84 5.853 -7.342 0.980 610 HA VAL 84 HA VAL 84 6.601 -10.081 1.766 611 HB VAL 84 HB VAL 84 8.233 -9.135 0.207 612 HG11 VAL 84 HG11 VAL 84 8.936 -7.027 0.272 613 HG12 VAL 84 HG12 VAL 84 9.390 -7.158 1.971 614 HG13 VAL 84 HG13 VAL 84 7.733 -6.743 1.529 615 HG21 VAL 84 HG21 VAL 84 9.326 -9.273 3.015 616 HG22 VAL 84 HG22 VAL 84 10.229 -9.526 1.522 617 HG23 VAL 84 HG23 VAL 84 8.969 -10.665 1.994 618 H LYS 85 HN LYS 85 5.715 -6.966 2.849 619 HA LYS 85 HA LYS 85 6.151 -7.795 5.607 620 HB2 LYS 85 HB2 LYS 85 6.980 -5.018 4.829 621 HB3 LYS 85 HB1 LYS 85 7.378 -5.921 6.283 622 HG2 LYS 85 HG2 LYS 85 8.728 -7.461 4.818 623 HG3 LYS 85 HG1 LYS 85 8.484 -6.295 3.517 624 HD2 LYS 85 HD2 LYS 85 9.482 -4.548 4.991 625 HD3 LYS 85 HD1 LYS 85 9.859 -5.817 6.158 626 HE2 LYS 85 HE2 LYS 85 11.015 -6.955 4.113 627 HE3 LYS 85 HE1 LYS 85 11.017 -5.322 3.448 628 HZ1 LYS 85 HZ1 LYS 85 12.495 -6.403 5.728 629 HZ2 LYS 85 HZ2 LYS 85 12.005 -4.786 5.809 630 HZ3 LYS 85 HZ3 LYS 85 12.993 -5.306 4.539 631 H ALA 86 HN ALA 86 4.871 -6.636 7.139 632 HA ALA 86 HA ALA 86 2.938 -4.711 6.165 633 HB1 ALA 86 HB1 ALA 86 2.123 -7.165 5.762 634 HB2 ALA 86 HB2 ALA 86 1.014 -5.945 6.389 635 HB3 ALA 86 HB3 ALA 86 1.758 -7.108 7.487 636 H LYS 87 HN LYS 87 2.512 -3.261 7.699 637 HA LYS 87 HA LYS 87 2.665 -4.036 10.517 638 HB2 LYS 87 HB2 LYS 87 4.255 -1.827 9.219 639 HB3 LYS 87 HB1 LYS 87 3.931 -1.863 10.947 640 HG2 LYS 87 HG2 LYS 87 5.936 -2.904 10.961 641 HG3 LYS 87 HG1 LYS 87 4.919 -4.318 10.678 642 HD2 LYS 87 HD2 LYS 87 5.259 -3.811 8.182 643 HD3 LYS 87 HD1 LYS 87 6.583 -2.773 8.715 644 HE2 LYS 87 HE2 LYS 87 7.320 -5.053 8.093 645 HE3 LYS 87 HE1 LYS 87 7.687 -4.635 9.766 646 HZ1 LYS 87 HZ1 LYS 87 6.712 -6.918 9.326 647 HZ2 LYS 87 HZ2 LYS 87 5.242 -6.131 9.038 648 HZ3 LYS 87 HZ3 LYS 87 5.986 -6.005 10.552 649 H GLU 88 HN GLU 88 1.678 -2.431 11.961 650 HA GLU 88 HA GLU 88 -0.111 -0.534 10.629 651 HB2 GLU 88 HB2 GLU 88 -2.055 -1.310 11.800 652 HB3 GLU 88 HB1 GLU 88 -1.334 -2.683 10.972 653 HG2 GLU 88 HG2 GLU 88 -0.200 -3.227 13.174 654 HG3 GLU 88 HG1 GLU 88 -1.283 -2.042 13.902 655 H GLN 89 HN GLN 89 -0.424 1.328 11.717 656 HA GLN 89 HA GLN 89 0.384 1.474 14.532 657 HB2 GLN 89 HB2 GLN 89 1.647 3.511 14.152 658 HB3 GLN 89 HB1 GLN 89 2.297 2.213 13.161 659 HG2 GLN 89 HG2 GLN 89 1.028 3.109 11.235 660 HG3 GLN 89 HG1 GLN 89 0.517 4.459 12.247 661 HE21 GLN 89 HE21 GLN 89 3.608 2.781 11.791 662 HE22 GLN 89 HE22 GLN 89 4.518 4.199 11.407 663 H VAL 90 HN VAL 90 -0.421 3.423 15.626 664 HA VAL 90 HA VAL 90 -3.000 4.247 14.481 665 HB VAL 90 HB VAL 90 -2.140 4.466 17.365 666 HG11 VAL 90 HG11 VAL 90 -3.901 5.958 17.029 667 HG12 VAL 90 HG12 VAL 90 -4.698 4.500 17.620 668 HG13 VAL 90 HG13 VAL 90 -4.722 4.882 15.899 669 HG21 VAL 90 HG21 VAL 90 -3.984 2.502 17.374 670 HG22 VAL 90 HG22 VAL 90 -2.246 2.210 17.302 671 HG23 VAL 90 HG23 VAL 90 -3.206 2.190 15.823 672 H VAL 91 HN VAL 91 -3.217 6.246 13.764 673 HA VAL 91 HA VAL 91 -2.028 8.493 15.111 674 HB VAL 91 HB VAL 91 -0.923 9.352 13.006 675 HG11 VAL 91 HG11 VAL 91 0.455 6.865 13.935 676 HG12 VAL 91 HG12 VAL 91 0.183 8.205 15.049 677 HG13 VAL 91 HG13 VAL 91 1.132 8.455 13.584 678 HG21 VAL 91 HG21 VAL 91 -1.394 8.172 11.160 679 HG22 VAL 91 HG22 VAL 91 -1.812 6.724 12.075 680 HG23 VAL 91 HG23 VAL 91 -0.124 7.082 11.715 681 H SER 92 HN SER 92 -4.041 9.386 15.312 682 HA SER 92 HA SER 92 -5.911 10.549 14.740 683 HB2 SER 92 HB2 SER 92 -4.520 10.874 12.069 684 HB3 SER 92 HB1 SER 92 -5.868 11.843 12.662 685 HG SER 92 HG SER 92 -3.218 11.735 13.648 686 H GLY 93 HN GLY 93 -5.685 7.643 14.219 687 HA2 GLY 93 HA2 GLY 93 -8.088 6.858 13.455 688 HA3 GLY 93 HA1 GLY 93 -7.398 7.251 11.887 689 H MET 94 HN MET 94 -6.376 5.672 10.843 690 HA MET 94 HA MET 94 -4.996 3.591 12.342 691 HB2 MET 94 HB2 MET 94 -7.286 3.054 10.450 692 HB3 MET 94 HB1 MET 94 -6.121 1.823 10.919 693 HG2 MET 94 HG2 MET 94 -7.701 3.363 12.947 694 HG3 MET 94 HG1 MET 94 -8.330 1.908 12.177 695 HE1 MET 94 HE1 MET 94 -6.681 1.884 15.995 696 HE2 MET 94 HE2 MET 94 -7.385 3.177 15.024 697 HE3 MET 94 HE3 MET 94 -5.632 3.031 15.160 698 H MET 95 HN MET 95 -3.036 3.545 11.483 699 HA MET 95 HA MET 95 -2.752 3.952 8.579 700 HB2 MET 95 HB2 MET 95 -1.557 5.372 10.593 701 HB3 MET 95 HB1 MET 95 -0.325 4.173 10.226 702 HG2 MET 95 HG2 MET 95 -0.229 4.871 7.944 703 HG3 MET 95 HG1 MET 95 -1.620 5.932 8.160 704 HE1 MET 95 HE1 MET 95 -0.733 8.956 9.446 705 HE2 MET 95 HE2 MET 95 -1.595 7.957 8.277 706 HE3 MET 95 HE3 MET 95 -0.128 8.807 7.796 707 H HIS 96 HN HIS 96 -1.417 2.571 7.395 708 HA HIS 96 HA HIS 96 -0.388 0.210 8.801 709 HB2 HIS 96 HB2 HIS 96 -2.604 -0.350 7.862 710 HB3 HIS 96 HB1 HIS 96 -2.031 0.112 6.263 711 HD1 HIS 96 HD1 HIS 96 -2.530 -2.778 8.256 712 HD2 HIS 96 HD2 HIS 96 0.408 -1.567 5.579 713 HE1 HIS 96 HE1 HIS 96 -1.349 -4.885 7.556 714 HE2 HIS 96 HE2 HIS 96 0.362 -4.137 5.865 715 H TYR 97 HN TYR 97 1.681 -0.057 8.351 716 HA TYR 97 HA TYR 97 2.751 1.042 5.845 717 HB2 TYR 97 HB2 TYR 97 4.056 0.365 8.483 718 HB3 TYR 97 HB1 TYR 97 4.983 0.739 7.034 719 HD1 TYR 97 HD2 TYR 97 1.983 2.231 8.707 720 HD2 TYR 97 HD1 TYR 97 5.864 2.862 7.082 721 HE1 TYR 97 HE2 TYR 97 1.798 4.629 9.214 722 HE2 TYR 97 HE1 TYR 97 5.691 5.263 7.586 723 HH TYR 97 HH TYR 97 3.196 6.883 7.988 724 H LEU 98 HN LEU 98 2.641 -0.492 4.308 725 HA LEU 98 HA LEU 98 3.672 -3.172 4.982 726 HB2 LEU 98 HB2 LEU 98 2.230 -4.101 3.303 727 HB3 LEU 98 HB1 LEU 98 1.273 -3.129 4.405 728 HG LEU 98 HG LEU 98 2.186 -1.622 2.077 729 HD11 LEU 98 HD11 LEU 98 1.983 -3.687 0.897 730 HD12 LEU 98 HD12 LEU 98 0.561 -2.708 0.534 731 HD13 LEU 98 HD13 LEU 98 0.444 -4.044 1.680 732 HD21 LEU 98 HD21 LEU 98 0.551 -0.597 3.359 733 HD22 LEU 98 HD22 LEU 98 -0.365 -2.089 3.568 734 HD23 LEU 98 HD23 LEU 98 -0.372 -1.261 2.011 735 H THR 99 HN THR 99 5.169 -4.117 3.659 736 HA THR 99 HA THR 99 6.273 -2.400 1.536 737 HB THR 99 HB THR 99 7.866 -4.620 2.728 738 HG1 THR 99 HG1 THR 99 7.155 -2.241 4.050 739 HG21 THR 99 HG21 THR 99 8.545 -2.845 0.891 740 HG22 THR 99 HG22 THR 99 9.694 -3.454 2.082 741 HG23 THR 99 HG23 THR 99 8.921 -1.887 2.323 742 H VAL 100 HN VAL 100 6.290 -3.153 -0.500 743 HA VAL 100 HA VAL 100 5.953 -6.039 -0.922 744 HB VAL 100 HB VAL 100 4.223 -5.802 -2.500 745 HG11 VAL 100 HG11 VAL 100 2.431 -4.942 -1.241 746 HG12 VAL 100 HG12 VAL 100 3.458 -3.756 -0.437 747 HG13 VAL 100 HG13 VAL 100 3.625 -5.469 -0.054 748 HG21 VAL 100 HG21 VAL 100 5.190 -3.043 -2.708 749 HG22 VAL 100 HG22 VAL 100 3.434 -3.206 -2.767 750 HG23 VAL 100 HG23 VAL 100 4.440 -4.081 -3.922 751 H GLU 101 HN GLU 101 6.501 -6.740 -3.123 752 HA GLU 101 HA GLU 101 8.836 -5.290 -4.075 753 HB2 GLU 101 HB2 GLU 101 7.770 -8.053 -4.381 754 HB3 GLU 101 HB1 GLU 101 8.789 -7.430 -5.671 755 HG2 GLU 101 HG2 GLU 101 10.624 -7.145 -4.218 756 HG3 GLU 101 HG1 GLU 101 9.621 -7.383 -2.788 757 H VAL 102 HN VAL 102 8.928 -4.152 -5.919 758 HA VAL 102 HA VAL 102 6.587 -4.263 -7.706 759 HB VAL 102 HB VAL 102 8.317 -1.834 -7.271 760 HG11 VAL 102 HG11 VAL 102 7.274 -1.382 -9.234 761 HG12 VAL 102 HG12 VAL 102 5.980 -0.886 -8.143 762 HG13 VAL 102 HG13 VAL 102 5.933 -2.478 -8.901 763 HG21 VAL 102 HG21 VAL 102 5.839 -2.733 -5.848 764 HG22 VAL 102 HG22 VAL 102 6.207 -1.017 -6.029 765 HG23 VAL 102 HG23 VAL 102 7.333 -2.076 -5.178 766 H ASN 103 HN ASN 103 6.939 -3.963 -9.935 767 HA ASN 103 HA ASN 103 9.729 -4.281 -10.816 768 HB2 ASN 103 HB2 ASN 103 8.533 -6.441 -10.937 769 HB3 ASN 103 HB1 ASN 103 7.318 -5.698 -11.973 770 HD21 ASN 103 HD21 ASN 103 10.017 -7.547 -11.961 771 HD22 ASN 103 HD22 ASN 103 10.572 -7.268 -13.573 772 H ASP 104 HN ASP 104 10.311 -3.247 -12.708 773 HA ASP 104 HA ASP 104 8.267 -1.751 -14.163 774 HB2 ASP 104 HB2 ASP 104 9.458 -0.410 -12.223 775 HB3 ASP 104 HB1 ASP 104 10.754 -0.275 -13.408 776 H ALA 105 HN ALA 105 8.543 -2.610 -16.129 777 HA ALA 105 HA ALA 105 9.501 -3.225 -18.101 778 HB1 ALA 105 HB1 ALA 105 10.080 -0.929 -18.333 779 HB2 ALA 105 HB2 ALA 105 11.490 -1.872 -18.817 780 HB3 ALA 105 HB3 ALA 105 11.448 -1.099 -17.233 781 H GLY 106 HN GLY 106 10.209 -4.699 -15.661 782 HA2 GLY 106 HA2 GLY 106 11.446 -6.767 -15.767 783 HA3 GLY 106 HA1 GLY 106 12.690 -5.922 -16.676 784 H LYS 107 HN LYS 107 12.530 -3.599 -14.808 785 HA LYS 107 HA LYS 107 14.568 -4.431 -13.022 786 HB2 LYS 107 HB2 LYS 107 13.049 -1.919 -13.510 787 HB3 LYS 107 HB1 LYS 107 13.882 -2.077 -11.970 788 HG2 LYS 107 HG2 LYS 107 15.974 -2.131 -12.956 789 HG3 LYS 107 HG1 LYS 107 15.332 -2.620 -14.525 790 HD2 LYS 107 HD2 LYS 107 15.974 -0.348 -14.741 791 HD3 LYS 107 HD1 LYS 107 14.212 -0.360 -14.636 792 HE2 LYS 107 HE2 LYS 107 14.757 -0.091 -12.049 793 HE3 LYS 107 HE1 LYS 107 16.232 0.624 -12.696 794 HZ1 LYS 107 HZ1 LYS 107 14.014 2.007 -12.284 795 HZ2 LYS 107 HZ2 LYS 107 13.732 1.525 -13.880 796 HZ3 LYS 107 HZ3 LYS 107 15.126 2.402 -13.497 797 H LYS 108 HN LYS 108 14.190 -5.754 -11.369 798 HA LYS 108 HA LYS 108 11.661 -5.567 -9.911 799 HB2 LYS 108 HB2 LYS 108 12.371 -7.788 -10.671 800 HB3 LYS 108 HB1 LYS 108 13.868 -7.629 -9.762 801 HG2 LYS 108 HG2 LYS 108 12.747 -8.784 -8.203 802 HG3 LYS 108 HG1 LYS 108 12.063 -7.207 -7.802 803 HD2 LYS 108 HD2 LYS 108 10.292 -7.813 -9.609 804 HD3 LYS 108 HD1 LYS 108 10.846 -9.467 -9.340 805 HE2 LYS 108 HE2 LYS 108 10.285 -7.914 -6.905 806 HE3 LYS 108 HE1 LYS 108 8.883 -8.256 -7.918 807 HZ1 LYS 108 HZ1 LYS 108 9.393 -9.954 -6.173 808 HZ2 LYS 108 HZ2 LYS 108 10.789 -10.350 -7.043 809 HZ3 LYS 108 HZ3 LYS 108 9.266 -10.566 -7.746 810 H LYS 109 HN LYS 109 11.502 -4.817 -7.876 811 HA LYS 109 HA LYS 109 13.805 -4.650 -6.145 812 HB2 LYS 109 HB2 LYS 109 12.723 -2.284 -7.563 813 HB3 LYS 109 HB1 LYS 109 13.074 -2.074 -5.853 814 HG2 LYS 109 HG2 LYS 109 15.260 -1.968 -6.225 815 HG3 LYS 109 HG1 LYS 109 15.235 -3.421 -7.226 816 HD2 LYS 109 HD2 LYS 109 14.212 -1.864 -9.027 817 HD3 LYS 109 HD1 LYS 109 14.860 -0.559 -8.031 818 HE2 LYS 109 HE2 LYS 109 16.581 -0.952 -9.531 819 HE3 LYS 109 HE1 LYS 109 17.067 -1.905 -8.129 820 HZ1 LYS 109 HZ1 LYS 109 16.207 -2.785 -10.764 821 HZ2 LYS 109 HZ2 LYS 109 15.659 -3.711 -9.459 822 HZ3 LYS 109 HZ3 LYS 109 17.319 -3.485 -9.697 823 H LEU 110 HN LEU 110 13.146 -3.455 -4.045 824 HA LEU 110 HA LEU 110 10.388 -4.252 -3.380 825 HB2 LEU 110 HB2 LEU 110 11.880 -5.671 -2.202 826 HB3 LEU 110 HB1 LEU 110 12.922 -4.334 -1.759 827 HG LEU 110 HG LEU 110 11.307 -3.508 -0.177 828 HD11 LEU 110 HD11 LEU 110 9.513 -5.496 -1.491 829 HD12 LEU 110 HD12 LEU 110 9.203 -3.817 -1.049 830 HD13 LEU 110 HD13 LEU 110 9.247 -5.063 0.198 831 HD21 LEU 110 HD21 LEU 110 12.755 -5.742 0.167 832 HD22 LEU 110 HD22 LEU 110 11.139 -6.383 0.466 833 HD23 LEU 110 HD23 LEU 110 11.745 -5.035 1.428 834 H TYR 111 HN TYR 111 9.072 -2.608 -2.973 835 HA TYR 111 HA TYR 111 10.226 -0.134 -1.863 836 HB2 TYR 111 HB2 TYR 111 7.779 -0.309 -3.625 837 HB3 TYR 111 HB1 TYR 111 8.595 1.151 -3.081 838 HD1 TYR 111 HD1 TYR 111 11.448 -0.016 -3.592 839 HD2 TYR 111 HD2 TYR 111 7.923 0.239 -5.961 840 HE1 TYR 111 HE1 TYR 111 12.823 -0.023 -5.629 841 HE2 TYR 111 HE2 TYR 111 9.289 0.230 -8.004 842 HH TYR 111 HH TYR 111 12.743 -0.336 -7.912 843 H GLU 112 HN GLU 112 9.082 0.964 -0.282 844 HA GLU 112 HA GLU 112 7.072 -0.655 1.113 845 HB2 GLU 112 HB2 GLU 112 9.302 0.300 2.157 846 HB3 GLU 112 HB1 GLU 112 8.340 1.761 2.332 847 HG2 GLU 112 HG2 GLU 112 6.725 -0.303 3.289 848 HG3 GLU 112 HG1 GLU 112 8.338 -0.639 3.914 849 H ALA 113 HN ALA 113 5.119 0.232 1.804 850 HA ALA 113 HA ALA 113 4.454 2.926 0.853 851 HB1 ALA 113 HB1 ALA 113 3.735 0.857 -0.665 852 HB2 ALA 113 HB2 ALA 113 2.731 2.295 -0.484 853 HB3 ALA 113 HB3 ALA 113 2.379 0.850 0.462 854 H LYS 114 HN LYS 114 3.192 4.071 2.222 855 HA LYS 114 HA LYS 114 2.062 2.613 4.519 856 HB2 LYS 114 HB2 LYS 114 2.395 4.677 5.844 857 HB3 LYS 114 HB1 LYS 114 3.902 3.982 5.263 858 HG2 LYS 114 HG2 LYS 114 3.466 5.673 3.274 859 HG3 LYS 114 HG1 LYS 114 2.577 6.524 4.537 860 HD2 LYS 114 HD2 LYS 114 4.762 7.389 4.640 861 HD3 LYS 114 HD1 LYS 114 4.660 6.239 5.973 862 HE2 LYS 114 HE2 LYS 114 6.052 4.726 4.957 863 HE3 LYS 114 HE1 LYS 114 5.635 5.271 3.333 864 HZ1 LYS 114 HZ1 LYS 114 6.833 7.444 4.320 865 HZ2 LYS 114 HZ2 LYS 114 7.639 6.242 3.445 866 HZ3 LYS 114 HZ3 LYS 114 7.688 6.232 5.135 867 H VAL 115 HN VAL 115 -0.061 2.585 4.554 868 HA VAL 115 HA VAL 115 -1.543 4.727 3.189 869 HB VAL 115 HB VAL 115 -2.590 2.015 4.003 870 HG11 VAL 115 HG11 VAL 115 -4.386 3.533 3.749 871 HG12 VAL 115 HG12 VAL 115 -4.322 2.595 2.257 872 HG13 VAL 115 HG13 VAL 115 -3.681 4.237 2.294 873 HG21 VAL 115 HG21 VAL 115 -2.393 1.450 1.589 874 HG22 VAL 115 HG22 VAL 115 -0.839 1.663 2.396 875 HG23 VAL 115 HG23 VAL 115 -1.476 2.939 1.358 876 H TRP 116 HN TRP 116 -3.361 5.671 4.184 877 HA TRP 116 HA TRP 116 -3.578 5.235 7.087 878 HB2 TRP 116 HB2 TRP 116 -2.287 7.281 6.646 879 HB3 TRP 116 HB1 TRP 116 -3.606 7.906 5.668 880 HD1 TRP 116 HD1 TRP 116 -3.547 6.429 9.269 881 HE1 TRP 116 HE1 TRP 116 -4.786 8.078 10.809 882 HE3 TRP 116 HE3 TRP 116 -4.683 10.047 5.839 883 HZ2 TRP 116 HZ2 TRP 116 -6.073 10.583 10.596 884 HZ3 TRP 116 HZ3 TRP 116 -5.921 12.036 6.589 885 HH2 TRP 116 HH2 TRP 116 -6.603 12.297 8.919 886 H GLU 117 HN GLU 117 -5.604 5.344 7.966 887 HA GLU 117 HA GLU 117 -7.861 6.206 6.362 888 HB2 GLU 117 HB2 GLU 117 -7.624 3.905 5.627 889 HB3 GLU 117 HB1 GLU 117 -7.556 3.345 7.292 890 HG2 GLU 117 HG2 GLU 117 -9.955 4.887 6.650 891 HG3 GLU 117 HG1 GLU 117 -9.785 3.391 5.732 892 H GLN 118 HN GLN 118 -9.259 7.235 7.640 893 HA GLN 118 HA GLN 118 -9.046 6.843 10.534 894 HB2 GLN 118 HB2 GLN 118 -10.620 9.039 9.232 895 HB3 GLN 118 HB1 GLN 118 -9.850 9.014 10.809 896 HG2 GLN 118 HG2 GLN 118 -8.429 10.388 9.686 897 HG3 GLN 118 HG1 GLN 118 -7.656 8.832 9.392 898 HE21 GLN 118 HE21 GLN 118 -7.116 8.436 7.376 899 HE22 GLN 118 HE22 GLN 118 -7.828 9.142 5.970 900 H VAL 119 HN VAL 119 -11.237 7.338 11.685 901 HA VAL 119 HA VAL 119 -13.302 5.675 10.397 902 HB VAL 119 HB VAL 119 -12.334 4.617 12.391 903 HG11 VAL 119 HG11 VAL 119 -11.723 6.728 13.547 904 HG12 VAL 119 HG12 VAL 119 -12.556 5.570 14.584 905 HG13 VAL 119 HG13 VAL 119 -13.427 6.961 13.939 906 HG21 VAL 119 HG21 VAL 119 -14.645 4.141 11.857 907 HG22 VAL 119 HG22 VAL 119 -15.175 5.569 12.746 908 HG23 VAL 119 HG23 VAL 119 -14.444 4.214 13.607 909 H TRP 120 HN TRP 120 -12.679 8.534 12.356 910 HA TRP 120 HA TRP 120 -15.461 9.311 12.404 911 HB2 TRP 120 HB2 TRP 120 -14.591 11.364 13.528 912 HB3 TRP 120 HB1 TRP 120 -14.116 9.868 14.328 913 HD1 TRP 120 HD1 TRP 120 -12.652 12.701 12.182 914 HE1 TRP 120 HE1 TRP 120 -10.098 12.719 12.496 915 HE3 TRP 120 HE3 TRP 120 -12.145 8.444 14.968 916 HZ2 TRP 120 HZ2 TRP 120 -8.129 11.138 13.756 917 HZ3 TRP 120 HZ3 TRP 120 -9.892 7.766 15.686 918 HH2 TRP 120 HH2 TRP 120 -7.926 9.086 15.091 919 H MET 121 HN MET 121 -12.739 9.793 10.358 920 HA MET 121 HA MET 121 -13.961 12.114 9.062 921 HB2 MET 121 HB2 MET 121 -11.547 12.202 9.582 922 HB3 MET 121 HB1 MET 121 -11.286 10.795 8.561 923 HG2 MET 121 HG2 MET 121 -10.832 12.277 6.965 924 HG3 MET 121 HG1 MET 121 -12.580 12.475 6.857 925 HE1 MET 121 HE1 MET 121 -9.659 15.668 7.437 926 HE2 MET 121 HE2 MET 121 -9.584 14.101 6.630 927 HE3 MET 121 HE3 MET 121 -9.204 14.228 8.348 928 H ASN 122 HN ASN 122 -13.423 8.723 8.652 929 HA ASN 122 HA ASN 122 -14.096 7.230 7.084 930 HB2 ASN 122 HB2 ASN 122 -15.947 9.525 6.637 931 HB3 ASN 122 HB1 ASN 122 -15.908 8.249 5.424 932 HD21 ASN 122 HD21 ASN 122 -15.741 8.332 8.970 933 HD22 ASN 122 HD22 ASN 122 -17.011 7.189 9.225 934 H PHE 123 HN PHE 123 -11.733 8.635 6.584 935 HA PHE 123 HA PHE 123 -11.750 8.701 3.641 936 HB2 PHE 123 HB2 PHE 123 -10.894 10.762 5.519 937 HB3 PHE 123 HB1 PHE 123 -9.622 10.322 4.385 938 HD1 PHE 123 HD2 PHE 123 -11.106 9.741 1.948 939 HD2 PHE 123 HD1 PHE 123 -11.691 12.815 4.832 940 HE1 PHE 123 HE2 PHE 123 -12.153 11.151 0.225 941 HE2 PHE 123 HE1 PHE 123 -12.740 14.231 3.114 942 HZ PHE 123 HZ PHE 123 -12.971 13.400 0.808 943 H ARG 124 HN ARG 124 -10.011 7.770 2.606 944 HA ARG 124 HA ARG 124 -7.809 6.709 4.181 945 HB2 ARG 124 HB2 ARG 124 -8.126 4.427 3.191 946 HB3 ARG 124 HB1 ARG 124 -9.354 4.890 4.361 947 HG2 ARG 124 HG2 ARG 124 -9.842 5.357 1.457 948 HG3 ARG 124 HG1 ARG 124 -10.032 3.737 2.131 949 HD2 ARG 124 HD2 ARG 124 -11.301 5.892 3.676 950 HD3 ARG 124 HD1 ARG 124 -11.985 5.620 2.075 951 HE ARG 124 HE ARG 124 -11.638 3.197 3.559 952 HH11 ARG 124 HH11 ARG 124 -13.747 5.934 3.067 953 HH12 ARG 124 HH12 ARG 124 -15.165 5.097 3.601 954 HH21 ARG 124 HH21 ARG 124 -13.503 2.094 4.262 955 HH22 ARG 124 HH22 ARG 124 -15.027 2.917 4.280 956 H GLN 125 HN GLN 125 -5.950 6.853 3.088 957 HA GLN 125 HA GLN 125 -5.795 6.475 0.251 958 HB2 GLN 125 HB2 GLN 125 -5.032 8.708 -0.342 959 HB3 GLN 125 HB1 GLN 125 -6.654 8.780 0.332 960 HG2 GLN 125 HG2 GLN 125 -5.210 9.178 2.562 961 HG3 GLN 125 HG1 GLN 125 -4.121 9.870 1.360 962 HE21 GLN 125 HE21 GLN 125 -4.922 11.633 3.056 963 HE22 GLN 125 HE22 GLN 125 -6.187 12.641 2.450 964 H LEU 126 HN LEU 126 -3.488 7.165 -0.518 965 HA LEU 126 HA LEU 126 -1.633 5.912 1.325 966 HB2 LEU 126 HB2 LEU 126 -1.567 5.208 -0.980 967 HB3 LEU 126 HB1 LEU 126 -1.343 6.859 -1.525 968 HG LEU 126 HG LEU 126 0.736 5.967 0.334 969 HD11 LEU 126 HD11 LEU 126 1.096 4.783 -2.341 970 HD12 LEU 126 HD12 LEU 126 -0.037 3.957 -1.272 971 HD13 LEU 126 HD13 LEU 126 1.630 4.212 -0.760 972 HD21 LEU 126 HD21 LEU 126 0.848 7.097 -2.460 973 HD22 LEU 126 HD22 LEU 126 2.179 7.003 -1.307 974 HD23 LEU 126 HD23 LEU 126 0.800 8.052 -0.978 975 H GLN 127 HN GLN 127 0.084 6.880 2.313 976 HA GLN 127 HA GLN 127 0.085 9.805 2.287 977 HB2 GLN 127 HB2 GLN 127 1.063 7.740 4.231 978 HB3 GLN 127 HB1 GLN 127 1.658 9.393 4.315 979 HG2 GLN 127 HG2 GLN 127 -0.274 8.841 5.818 980 HG3 GLN 127 HG1 GLN 127 -0.487 10.248 4.778 981 HE21 GLN 127 HE21 GLN 127 -2.364 10.376 3.796 982 HE22 GLN 127 HE22 GLN 127 -3.404 9.055 3.400 983 H GLU 128 HN GLU 128 2.486 7.156 2.319 984 HA GLU 128 HA GLU 128 4.111 8.694 0.449 985 HB2 GLU 128 HB2 GLU 128 5.494 7.537 2.839 986 HB3 GLU 128 HB1 GLU 128 6.038 8.798 1.744 987 HG2 GLU 128 HG2 GLU 128 3.727 9.180 3.621 988 HG3 GLU 128 HG1 GLU 128 5.396 9.511 4.081 989 H PHE 129 HN PHE 129 5.747 7.493 -0.601 990 HA PHE 129 HA PHE 129 5.604 4.575 -0.333 991 HB2 PHE 129 HB2 PHE 129 4.188 5.691 -2.279 992 HB3 PHE 129 HB1 PHE 129 5.756 5.761 -3.074 993 HD1 PHE 129 HD2 PHE 129 7.005 3.651 -3.509 994 HD2 PHE 129 HD1 PHE 129 2.992 3.669 -2.094 995 HE1 PHE 129 HE2 PHE 129 6.746 1.312 -4.222 996 HE2 PHE 129 HE1 PHE 129 2.727 1.328 -2.804 997 HZ PHE 129 HZ PHE 129 4.606 0.146 -3.871 998 H THR 130 HN THR 130 7.625 4.077 0.269 999 HA THR 130 HA THR 130 9.870 5.556 -0.890 1000 HB THR 130 HB THR 130 11.192 4.761 0.920 1001 HG1 THR 130 HG1 THR 130 10.847 2.792 1.518 1002 HG21 THR 130 HG21 THR 130 8.655 5.974 1.495 1003 HG22 THR 130 HG22 THR 130 10.225 6.231 2.256 1004 HG23 THR 130 HG23 THR 130 9.169 4.938 2.826 1005 H TYR 131 HN TYR 131 11.678 4.488 -1.788 1006 HA TYR 131 HA TYR 131 11.051 1.814 -2.849 1007 HB2 TYR 131 HB2 TYR 131 12.554 2.394 -4.735 1008 HB3 TYR 131 HB1 TYR 131 11.172 3.478 -4.611 1009 HD1 TYR 131 HD1 TYR 131 11.498 5.773 -3.668 1010 HD2 TYR 131 HD2 TYR 131 14.774 3.209 -4.555 1011 HE1 TYR 131 HE1 TYR 131 13.015 7.707 -3.627 1012 HE2 TYR 131 HE2 TYR 131 16.301 5.136 -4.516 1013 HH TYR 131 HH TYR 131 15.302 8.276 -4.679 1014 H LEU 132 HN LEU 132 12.121 0.299 -1.762 1015 HA LEU 132 HA LEU 132 14.690 0.881 -0.544 1016 HB2 LEU 132 HB2 LEU 132 13.450 -1.836 -0.523 1017 HB3 LEU 132 HB1 LEU 132 14.414 -1.046 0.709 1018 HG LEU 132 HG LEU 132 11.527 -0.472 0.045 1019 HD11 LEU 132 HD11 LEU 132 12.134 -2.549 1.370 1020 HD12 LEU 132 HD12 LEU 132 10.998 -1.430 2.124 1021 HD13 LEU 132 HD13 LEU 132 12.686 -1.452 2.636 1022 HD21 LEU 132 HD21 LEU 132 13.520 0.982 1.725 1023 HD22 LEU 132 HD22 LEU 132 11.827 0.940 2.219 1024 HD23 LEU 132 HD23 LEU 132 12.272 1.620 0.654 1025 H GLY 133 HN GLY 133 16.143 -1.332 -0.660 1026 HA2 GLY 133 HA2 GLY 133 17.237 -1.271 -3.285 1027 HA3 GLY 133 HA1 GLY 133 17.742 -2.331 -1.978 1028 H ASP 134 HN ASP 134 16.118 -4.144 -1.502 1029 HA ASP 134 HA ASP 134 14.340 -5.055 -3.471 1030 HB2 ASP 134 HB2 ASP 134 16.438 -5.279 -4.794 1031 HB3 ASP 134 HB1 ASP 134 17.047 -6.401 -3.581 1032 H ALA 135 HN ALA 135 13.629 -7.299 -3.084 1033 HA ALA 135 HA ALA 135 14.041 -8.025 -0.262 1034 HB1 ALA 135 HB1 ALA 135 11.738 -8.982 -1.923 1035 HB2 ALA 135 HB2 ALA 135 11.722 -7.381 -1.183 1036 HB3 ALA 135 HB3 ALA 135 11.856 -8.820 -0.171
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