NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588522 | 2mxw | 25434 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 13.975 28.524 -8.401 2 HA2 GLY 1 1HA GLY 1 14.590 28.709 -6.067 3 HA3 GLY 1 2HA GLY 1 14.163 27.027 -6.454 4 H HIS 2 H HIS 2 16.004 28.158 -4.398 5 HA HIS 2 HA HIS 2 18.419 26.558 -5.002 6 HB2 HIS 2 1HB HIS 2 19.784 28.531 -4.124 7 HB3 HIS 2 2HB HIS 2 19.056 28.715 -5.718 8 HD1 HIS 2 1HD HIS 2 18.131 31.094 -6.003 9 HD2 HIS 2 2HD HIS 2 17.715 29.526 -2.128 10 HE1 HIS 2 1HE HIS 2 16.617 32.726 -4.711 11 H MET 3 H MET 3 15.876 26.815 -2.991 12 HA MET 3 HA MET 3 17.418 26.073 -0.587 13 HB2 MET 3 1HB MET 3 14.913 27.796 -0.709 14 HB3 MET 3 2HB MET 3 15.395 26.894 0.727 15 HG2 MET 3 1HG MET 3 17.740 28.186 0.113 16 HG3 MET 3 2HG MET 3 16.528 29.372 -0.388 17 HE1 MET 3 3HE MET 3 14.136 28.939 1.636 18 HE2 MET 3 1HE MET 3 14.574 29.981 3.005 19 HE3 MET 3 2HE MET 3 14.790 30.572 1.342 20 H GLN 4 H GLN 4 15.839 24.803 0.855 21 HA GLN 4 HA GLN 4 15.159 22.750 1.228 22 HB2 GLN 4 1HB GLN 4 12.963 23.873 0.708 23 HB3 GLN 4 2HB GLN 4 13.056 23.165 -0.913 24 HG2 GLN 4 1HG GLN 4 13.405 20.901 0.296 25 HG3 GLN 4 2HG GLN 4 13.000 21.731 1.773 26 HE21 GLN 4 1HE2 GLN 4 10.922 21.256 2.345 27 HE22 GLN 4 2HE2 GLN 4 9.571 20.992 1.259 28 H GLU 5 H GLU 5 17.128 21.828 0.538 29 HA GLU 5 HA GLU 5 17.403 20.749 -2.133 30 HB2 GLU 5 1HB GLU 5 19.301 21.399 -0.717 31 HB3 GLU 5 2HB GLU 5 18.957 20.065 0.397 32 HG2 GLU 5 1HG GLU 5 19.637 18.427 -1.151 33 HG3 GLU 5 2HG GLU 5 19.294 19.455 -2.553 34 H SER 6 H SER 6 15.689 19.614 0.690 35 HA SER 6 HA SER 6 14.368 17.810 1.007 36 HB2 SER 6 1HB SER 6 14.465 17.704 -2.030 37 HB3 SER 6 2HB SER 6 13.370 16.771 -1.008 38 HG SER 6 HG SER 6 13.060 19.243 -1.868 39 H TYR 7 H TYR 7 15.612 16.469 2.205 40 HA TYR 7 HA TYR 7 17.168 14.329 0.851 41 HB2 TYR 7 1HB TYR 7 18.560 14.442 2.948 42 HB3 TYR 7 2HB TYR 7 18.651 15.834 1.888 43 HD1 TYR 7 2HD TYR 7 17.185 14.579 5.074 44 HD2 TYR 7 1HD TYR 7 18.047 18.040 2.649 45 HE1 TYR 7 2HE TYR 7 16.488 16.034 6.931 46 HE2 TYR 7 1HE TYR 7 17.424 19.513 4.515 47 HH TYR 7 HH TYR 7 16.660 19.623 6.710 48 H SER 8 H SER 8 17.531 12.631 3.027 49 HA SER 8 HA SER 8 16.608 10.937 4.186 50 HB2 SER 8 1HB SER 8 14.677 13.135 4.975 51 HB3 SER 8 2HB SER 8 14.633 11.512 5.658 52 HG SER 8 HG SER 8 16.460 11.832 6.685 53 H GLN 9 H GLN 9 16.218 9.762 2.208 54 HA GLN 9 HA GLN 9 13.456 9.099 1.842 55 HB2 GLN 9 1HB GLN 9 13.415 9.451 -0.522 56 HB3 GLN 9 2HB GLN 9 13.906 10.946 0.210 57 HG2 GLN 9 1HG GLN 9 15.998 8.990 -0.815 58 HG3 GLN 9 2HG GLN 9 15.081 9.990 -1.919 59 HE21 GLN 9 1HE2 GLN 9 17.670 10.106 0.586 60 HE22 GLN 9 2HE2 GLN 9 18.078 11.772 0.237 61 H TYR 10 H TYR 10 13.752 7.346 -0.291 62 HA TYR 10 HA TYR 10 15.473 5.167 0.843 63 HB2 TYR 10 1HB TYR 10 12.670 5.316 -0.117 64 HB3 TYR 10 2HB TYR 10 13.540 3.851 -0.408 65 HD1 TYR 10 1HD TYR 10 12.502 6.238 2.287 66 HD2 TYR 10 2HD TYR 10 13.946 2.265 1.382 67 HE1 TYR 10 1HE TYR 10 12.043 5.563 4.596 68 HE2 TYR 10 2HE TYR 10 13.557 1.595 3.728 69 HH TYR 10 HH TYR 10 11.956 3.724 6.092 70 HA PRO 11 HA PRO 11 17.248 4.749 -3.296 71 HB2 PRO 11 1HB PRO 11 17.393 2.056 -3.690 72 HB3 PRO 11 2HB PRO 11 18.372 2.907 -2.454 73 HG2 PRO 11 1HG PRO 11 15.664 1.585 -2.055 74 HG3 PRO 11 2HG PRO 11 17.180 1.198 -1.175 75 HD2 PRO 11 1HD PRO 11 15.400 2.894 -0.150 76 HD3 PRO 11 2HD PRO 11 17.117 3.344 -0.065 77 H VAL 12 H VAL 12 16.703 3.267 -5.416 78 HA VAL 12 HA VAL 12 13.778 3.477 -5.927 79 HB VAL 12 HB VAL 12 16.078 3.998 -7.831 80 HG11 VAL 12 1HG1 VAL 12 14.335 4.725 -9.407 81 HG12 VAL 12 2HG1 VAL 12 14.072 3.032 -8.956 82 HG13 VAL 12 3HG1 VAL 12 13.074 4.302 -8.223 83 HG21 VAL 12 3HG2 VAL 12 14.059 5.879 -6.529 84 HG22 VAL 12 1HG2 VAL 12 15.816 5.858 -6.240 85 HG23 VAL 12 2HG2 VAL 12 15.195 6.321 -7.823 86 HA PRO 13 HA PRO 13 15.123 -0.925 -6.020 87 HB2 PRO 13 1HB PRO 13 12.724 -2.068 -5.257 88 HB3 PRO 13 2HB PRO 13 13.883 -1.359 -4.104 89 HG2 PRO 13 1HG PRO 13 11.448 -0.032 -5.353 90 HG3 PRO 13 2HG PRO 13 11.890 -0.110 -3.621 91 HD2 PRO 13 1HD PRO 13 12.514 2.059 -5.093 92 HD3 PRO 13 2HD PRO 13 13.715 1.409 -3.937 93 H ASP 14 H ASP 14 14.051 -2.874 -7.065 94 HA ASP 14 HA ASP 14 12.053 -2.436 -9.152 95 HB2 ASP 14 1HB ASP 14 14.252 -2.184 -10.348 96 HB3 ASP 14 2HB ASP 14 14.733 -3.770 -9.715 97 H VAL 15 H VAL 15 10.611 -4.109 -8.725 98 HA VAL 15 HA VAL 15 11.027 -6.113 -6.775 99 HB VAL 15 HB VAL 15 8.827 -5.383 -7.355 100 HG11 VAL 15 1HG1 VAL 15 9.037 -4.768 -9.694 101 HG12 VAL 15 2HG1 VAL 15 9.327 -6.455 -10.164 102 HG13 VAL 15 3HG1 VAL 15 7.749 -5.965 -9.536 103 HG21 VAL 15 3HG2 VAL 15 8.885 -7.644 -6.537 104 HG22 VAL 15 1HG2 VAL 15 7.625 -7.483 -7.765 105 HG23 VAL 15 2HG2 VAL 15 9.129 -8.297 -8.176 106 H SER 16 H SER 16 12.094 -5.986 -10.107 107 HA SER 16 HA SER 16 12.399 -8.825 -10.540 108 HB2 SER 16 1HB SER 16 12.255 -7.038 -12.293 109 HB3 SER 16 2HB SER 16 13.804 -6.409 -11.696 110 HG SER 16 HG SER 16 14.531 -8.680 -12.122 111 H THR 17 H THR 17 13.825 -6.984 -8.171 112 HA THR 17 HA THR 17 16.314 -8.622 -8.175 113 HB THR 17 HB THR 17 17.389 -6.875 -6.919 114 HG1 THR 17 1HG THR 17 14.935 -5.446 -7.191 115 HG21 THR 17 3HG2 THR 17 17.623 -5.155 -8.601 116 HG22 THR 17 1HG2 THR 17 16.093 -5.619 -9.376 117 HG23 THR 17 2HG2 THR 17 17.471 -6.730 -9.398 118 H TYR 18 H TYR 18 13.249 -8.717 -6.926 119 HA TYR 18 HA TYR 18 13.966 -9.099 -4.093 120 HB2 TYR 18 1HB TYR 18 11.348 -9.297 -5.628 121 HB3 TYR 18 2HB TYR 18 11.530 -9.598 -3.908 122 HD1 TYR 18 2HD TYR 18 13.795 -7.049 -4.298 123 HD2 TYR 18 1HD TYR 18 9.589 -7.815 -4.351 124 HE1 TYR 18 2HE TYR 18 13.389 -4.641 -3.999 125 HE2 TYR 18 1HE TYR 18 9.119 -5.403 -4.038 126 HH TYR 18 HH TYR 18 11.580 -3.216 -2.975 127 H GLN 19 H GLN 19 12.837 -11.111 -3.166 128 HA GLN 19 HA GLN 19 13.622 -13.532 -4.772 129 HB2 GLN 19 1HB GLN 19 13.915 -12.928 -1.802 130 HB3 GLN 19 2HB GLN 19 14.092 -14.517 -2.549 131 HG2 GLN 19 1HG GLN 19 15.864 -13.386 -4.086 132 HG3 GLN 19 2HG GLN 19 15.844 -12.072 -2.915 133 HE21 GLN 19 1HE2 GLN 19 15.362 -14.378 -0.697 134 HE22 GLN 19 2HE2 GLN 19 17.022 -14.993 -0.540 135 H TYR 20 H TYR 20 11.872 -14.692 -5.342 136 HA TYR 20 HA TYR 20 9.321 -14.464 -3.955 137 HB2 TYR 20 1HB TYR 20 9.555 -14.792 -6.353 138 HB3 TYR 20 2HB TYR 20 10.313 -16.361 -6.124 139 HD1 TYR 20 1HD TYR 20 7.214 -14.382 -5.430 140 HD2 TYR 20 2HD TYR 20 8.906 -18.303 -5.905 141 HE1 TYR 20 1HE TYR 20 4.933 -15.348 -5.587 142 HE2 TYR 20 2HE TYR 20 6.692 -19.303 -5.964 143 HH TYR 20 HH TYR 20 4.291 -18.846 -6.114 144 H ASP 21 H ASP 21 8.473 -15.848 -2.526 145 HA ASP 21 HA ASP 21 10.205 -18.045 -1.433 146 HB2 ASP 21 1HB ASP 21 9.325 -15.670 -0.101 147 HB3 ASP 21 2HB ASP 21 8.454 -16.974 0.626 148 H GLU 22 H GLU 22 9.105 -19.394 -2.899 149 HA GLU 22 HA GLU 22 6.378 -19.506 -3.393 150 HB2 GLU 22 1HB GLU 22 6.788 -21.728 -4.356 151 HB3 GLU 22 2HB GLU 22 7.906 -20.453 -4.837 152 HG2 GLU 22 1HG GLU 22 9.325 -21.967 -4.775 153 HG3 GLU 22 2HG GLU 22 9.525 -21.463 -3.100 154 H THR 23 H THR 23 8.006 -20.805 -0.752 155 HA THR 23 HA THR 23 6.171 -22.705 0.256 156 HB THR 23 HB THR 23 8.520 -22.050 1.045 157 HG1 THR 23 1HG THR 23 6.453 -22.853 2.758 158 HG21 THR 23 3HG2 THR 23 7.029 -20.179 2.921 159 HG22 THR 23 1HG2 THR 23 8.050 -19.656 1.558 160 HG23 THR 23 2HG2 THR 23 8.763 -20.561 2.906 161 H SER 24 H SER 24 5.918 -19.112 0.197 162 HA SER 24 HA SER 24 3.145 -19.413 1.306 163 HB2 SER 24 1HB SER 24 5.135 -17.211 1.904 164 HB3 SER 24 2HB SER 24 3.466 -17.306 2.490 165 HG SER 24 HG SER 24 5.094 -18.062 3.949 166 H GLY 25 H GLY 25 5.076 -17.894 -1.325 167 HA2 GLY 25 1HA GLY 25 3.866 -17.411 -3.299 168 HA3 GLY 25 2HA GLY 25 2.414 -17.033 -2.385 169 H TYR 26 H TYR 26 5.068 -15.568 -0.888 170 HA TYR 26 HA TYR 26 4.399 -12.907 -2.040 171 HB2 TYR 26 1HB TYR 26 5.716 -13.803 0.561 172 HB3 TYR 26 2HB TYR 26 5.675 -12.120 0.058 173 HD1 TYR 26 2HD TYR 26 3.459 -10.968 -0.305 174 HD2 TYR 26 1HD TYR 26 3.700 -14.911 1.424 175 HE1 TYR 26 2HE TYR 26 1.050 -10.862 0.266 176 HE2 TYR 26 1HE TYR 26 1.284 -14.823 1.959 177 HH TYR 26 HH TYR 26 -0.780 -12.146 0.856 178 H TYR 27 H TYR 27 6.339 -11.368 -2.066 179 HA TYR 27 HA TYR 27 8.851 -12.690 -2.906 180 HB2 TYR 27 1HB TYR 27 7.773 -9.924 -3.557 181 HB3 TYR 27 2HB TYR 27 9.428 -10.436 -3.841 182 HD1 TYR 27 1HD TYR 27 5.896 -11.103 -4.779 183 HD2 TYR 27 2HD TYR 27 10.032 -11.726 -5.799 184 HE1 TYR 27 1HE TYR 27 5.214 -12.239 -6.903 185 HE2 TYR 27 2HE TYR 27 9.354 -12.789 -7.926 186 HH TYR 27 HH TYR 27 7.582 -13.827 -9.011 187 H TYR 28 H TYR 28 10.690 -11.842 -1.751 188 HA TYR 28 HA TYR 28 10.134 -10.285 0.721 189 HB2 TYR 28 1HB TYR 28 10.804 -12.589 1.222 190 HB3 TYR 28 2HB TYR 28 12.147 -12.473 0.094 191 HD1 TYR 28 1HD TYR 28 10.858 -10.436 3.014 192 HD2 TYR 28 2HD TYR 28 14.247 -12.271 1.087 193 HE1 TYR 28 1HE TYR 28 12.294 -9.676 4.847 194 HE2 TYR 28 2HE TYR 28 15.720 -11.514 2.925 195 HH TYR 28 HH TYR 28 14.476 -9.591 5.707 196 H ASP 29 H ASP 29 11.370 -8.513 1.033 197 HA ASP 29 HA ASP 29 12.766 -7.569 -1.360 198 HB2 ASP 29 1HB ASP 29 11.361 -5.941 0.755 199 HB3 ASP 29 2HB ASP 29 11.774 -5.509 -0.885 200 HA PRO 30 HA PRO 30 15.661 -7.894 2.290 201 HB2 PRO 30 1HB PRO 30 18.070 -8.099 0.895 202 HB3 PRO 30 2HB PRO 30 16.987 -9.470 1.336 203 HG2 PRO 30 1HG PRO 30 17.121 -7.956 -1.283 204 HG3 PRO 30 2HG PRO 30 17.057 -9.740 -1.027 205 HD2 PRO 30 1HD PRO 30 14.824 -8.367 -1.650 206 HD3 PRO 30 2HD PRO 30 14.764 -9.624 -0.382 207 H GLN 31 H GLN 31 15.653 -5.569 -0.289 208 HA GLN 31 HA GLN 31 17.767 -3.837 0.635 209 HB2 GLN 31 1HB GLN 31 16.632 -4.063 -1.647 210 HB3 GLN 31 2HB GLN 31 15.269 -3.161 -0.994 211 HG2 GLN 31 1HG GLN 31 16.746 -1.213 -0.696 212 HG3 GLN 31 2HG GLN 31 18.159 -2.160 -1.186 213 HE21 GLN 31 1HE2 GLN 31 17.753 -3.352 -3.505 214 HE22 GLN 31 2HE2 GLN 31 16.964 -2.369 -4.712 215 H THR 32 H THR 32 14.427 -4.352 1.524 216 HA THR 32 HA THR 32 14.351 -2.037 3.389 217 HB THR 32 HB THR 32 11.673 -2.736 2.970 218 HG1 THR 32 1HG THR 32 11.460 -3.811 1.161 219 HG21 THR 32 3HG2 THR 32 12.730 -0.484 2.596 220 HG22 THR 32 1HG2 THR 32 11.825 -0.957 1.165 221 HG23 THR 32 2HG2 THR 32 13.584 -1.082 1.164 222 H GLY 33 H GLY 33 13.304 -5.418 2.945 223 HA2 GLY 33 1HA GLY 33 13.695 -7.124 4.650 224 HA3 GLY 33 2HA GLY 33 13.392 -5.894 5.901 225 H LEU 34 H LEU 34 11.246 -4.919 3.681 226 HA LEU 34 HA LEU 34 8.873 -5.930 4.559 227 HB2 LEU 34 1HB LEU 34 9.984 -4.731 1.962 228 HB3 LEU 34 2HB LEU 34 8.261 -4.912 2.286 229 HG LEU 34 HG LEU 34 8.208 -3.294 3.713 230 HD11 LEU 34 1HD1 LEU 34 9.373 -3.905 5.464 231 HD12 LEU 34 2HD1 LEU 34 9.505 -2.152 5.195 232 HD13 LEU 34 3HD1 LEU 34 10.896 -3.227 4.804 233 HD21 LEU 34 3HD2 LEU 34 8.311 -1.856 2.124 234 HD22 LEU 34 1HD2 LEU 34 9.880 -2.425 1.552 235 HD23 LEU 34 2HD2 LEU 34 9.783 -1.297 2.939 236 H TYR 35 H TYR 35 7.351 -7.014 3.199 237 HA TYR 35 HA TYR 35 8.419 -8.878 1.135 238 HB2 TYR 35 1HB TYR 35 5.994 -9.206 2.939 239 HB3 TYR 35 2HB TYR 35 6.236 -10.140 1.486 240 HD1 TYR 35 1HD TYR 35 7.686 -9.416 4.850 241 HD2 TYR 35 2HD TYR 35 7.650 -12.065 1.450 242 HE1 TYR 35 1HE TYR 35 9.098 -11.023 6.087 243 HE2 TYR 35 2HE TYR 35 9.026 -13.683 2.624 244 HH TYR 35 HH TYR 35 9.983 -14.222 4.832 245 H TYR 36 H TYR 36 7.546 -8.614 -0.836 246 HA TYR 36 HA TYR 36 5.317 -6.680 -1.211 247 HB2 TYR 36 1HB TYR 36 7.276 -6.001 -2.359 248 HB3 TYR 36 2HB TYR 36 7.584 -7.617 -2.960 249 HD1 TYR 36 2HD TYR 36 5.340 -4.648 -3.366 250 HD2 TYR 36 1HD TYR 36 6.654 -8.427 -4.971 251 HE1 TYR 36 2HE TYR 36 4.208 -4.128 -5.532 252 HE2 TYR 36 1HE TYR 36 5.527 -7.943 -7.088 253 HH TYR 36 HH TYR 36 4.259 -6.464 -8.266 254 H ASP 37 H ASP 37 3.617 -7.355 -2.751 255 HA ASP 37 HA ASP 37 3.365 -10.307 -3.160 256 HB2 ASP 37 1HB ASP 37 1.786 -9.521 -1.390 257 HB3 ASP 37 2HB ASP 37 1.171 -8.324 -2.506 258 HA PRO 38 HA PRO 38 3.376 -8.597 -7.195 259 HB2 PRO 38 1HB PRO 38 2.374 -10.648 -8.769 260 HB3 PRO 38 2HB PRO 38 3.990 -10.693 -8.002 261 HG2 PRO 38 1HG PRO 38 1.367 -11.827 -6.946 262 HG3 PRO 38 2HG PRO 38 2.948 -12.677 -7.072 263 HD2 PRO 38 1HD PRO 38 2.152 -11.608 -4.747 264 HD3 PRO 38 2HD PRO 38 3.843 -11.439 -5.262 265 H ASN 39 H ASN 39 0.296 -9.745 -5.928 266 HA ASN 39 HA ASN 39 -1.291 -8.452 -8.050 267 HB2 ASN 39 1HB ASN 39 -1.793 -10.452 -5.818 268 HB3 ASN 39 2HB ASN 39 -3.082 -9.610 -6.622 269 HD21 ASN 39 1HD2 ASN 39 -0.897 -12.329 -6.909 270 HD22 ASN 39 2HD2 ASN 39 -1.253 -12.642 -8.609 271 H SER 40 H SER 40 -0.300 -8.251 -4.697 272 HA SER 40 HA SER 40 -1.969 -5.788 -4.319 273 HB2 SER 40 1HB SER 40 -0.913 -7.538 -2.082 274 HB3 SER 40 2HB SER 40 -2.179 -6.320 -2.039 275 HG SER 40 HG SER 40 -3.525 -7.611 -3.120 276 H GLN 41 H GLN 41 -0.612 -4.198 -4.899 277 HA GLN 41 HA GLN 41 2.233 -4.182 -4.508 278 HB2 GLN 41 1HB GLN 41 0.260 -2.016 -5.326 279 HB3 GLN 41 2HB GLN 41 2.014 -1.848 -5.309 280 HG2 GLN 41 1HG GLN 41 1.484 -2.329 -7.526 281 HG3 GLN 41 2HG GLN 41 2.211 -3.785 -6.865 282 HE21 GLN 41 1HE2 GLN 41 1.210 -5.646 -7.658 283 HE22 GLN 41 2HE2 GLN 41 -0.471 -5.710 -8.100 284 H TYR 42 H TYR 42 -0.043 -3.963 -2.174 285 HA TYR 42 HA TYR 42 1.135 -1.895 -0.475 286 HB2 TYR 42 1HB TYR 42 -0.880 -4.073 0.177 287 HB3 TYR 42 2HB TYR 42 -0.452 -2.719 1.207 288 HD1 TYR 42 1HD TYR 42 -0.519 -0.377 -0.410 289 HD2 TYR 42 2HD TYR 42 -3.040 -3.861 -0.717 290 HE1 TYR 42 1HE TYR 42 -2.219 0.989 -1.526 291 HE2 TYR 42 2HE TYR 42 -4.797 -2.480 -1.814 292 HH TYR 42 HH TYR 42 -4.313 1.015 -2.412 293 H TYR 43 H TYR 43 3.011 -2.276 0.422 294 HA TYR 43 HA TYR 43 4.364 -4.860 0.478 295 HB2 TYR 43 1HB TYR 43 5.000 -2.074 1.522 296 HB3 TYR 43 2HB TYR 43 6.034 -3.448 1.840 297 HD1 TYR 43 1HD TYR 43 4.424 -1.790 -1.186 298 HD2 TYR 43 2HD TYR 43 7.881 -3.772 0.468 299 HE1 TYR 43 1HE TYR 43 5.703 -1.253 -3.202 300 HE2 TYR 43 2HE TYR 43 9.162 -3.257 -1.540 301 HH TYR 43 HH TYR 43 7.739 -1.411 -4.277 302 H TYR 44 H TYR 44 5.109 -5.867 2.454 303 HA TYR 44 HA TYR 44 3.441 -5.351 4.873 304 HB2 TYR 44 1HB TYR 44 2.764 -7.457 3.880 305 HB3 TYR 44 2HB TYR 44 4.408 -7.896 3.552 306 HD1 TYR 44 2HD TYR 44 2.857 -6.642 6.761 307 HD2 TYR 44 1HD TYR 44 4.898 -9.852 4.731 308 HE1 TYR 44 2HE TYR 44 3.102 -7.889 8.899 309 HE2 TYR 44 1HE TYR 44 5.073 -11.100 6.842 310 HH TYR 44 HH TYR 44 4.684 -11.045 9.175 311 H ASN 45 H ASN 45 4.641 -4.290 6.213 312 HA ASN 45 HA ASN 45 7.528 -4.840 6.555 313 HB2 ASN 45 1HB ASN 45 6.884 -2.544 6.685 314 HB3 ASN 45 2HB ASN 45 5.629 -2.890 7.883 315 HD21 ASN 45 1HD2 ASN 45 6.388 -2.012 9.749 316 HD22 ASN 45 2HD2 ASN 45 7.875 -2.417 10.568 317 H ALA 46 H ALA 46 7.425 -6.977 7.156 318 HA ALA 46 HA ALA 46 5.772 -8.170 9.057 319 HB1 ALA 46 1HB ALA 46 8.714 -8.761 8.453 320 HB2 ALA 46 2HB ALA 46 7.565 -9.865 9.232 321 HB3 ALA 46 3HB ALA 46 7.316 -9.396 7.538 322 H GLN 47 H GLN 47 8.736 -6.314 9.620 323 HA GLN 47 HA GLN 47 9.449 -6.890 12.105 324 HB2 GLN 47 1HB GLN 47 9.932 -4.894 10.243 325 HB3 GLN 47 2HB GLN 47 9.332 -3.942 11.588 326 HG2 GLN 47 1HG GLN 47 11.094 -4.715 13.024 327 HG3 GLN 47 2HG GLN 47 11.505 -6.027 11.895 328 HE21 GLN 47 1HE2 GLN 47 12.210 -5.433 9.708 329 HE22 GLN 47 2HE2 GLN 47 13.199 -3.992 9.496 330 H SER 48 H SER 48 7.018 -4.368 11.392 331 HA SER 48 HA SER 48 6.163 -4.428 14.223 332 HB2 SER 48 1HB SER 48 5.542 -2.389 12.072 333 HB3 SER 48 2HB SER 48 5.573 -2.128 13.829 334 HG SER 48 HG SER 48 7.700 -1.857 13.729 335 H GLN 49 H GLN 49 5.229 -5.824 11.410 336 HA GLN 49 HA GLN 49 3.415 -6.354 10.275 337 HB2 GLN 49 1HB GLN 49 2.050 -6.385 12.981 338 HB3 GLN 49 2HB GLN 49 1.377 -7.054 11.498 339 HG2 GLN 49 1HG GLN 49 3.186 -8.683 11.333 340 HG3 GLN 49 2HG GLN 49 4.054 -7.917 12.676 341 HE21 GLN 49 1HE2 GLN 49 0.966 -9.760 11.943 342 HE22 GLN 49 2HE2 GLN 49 0.896 -10.363 13.593 343 H GLN 50 H GLN 50 3.972 -4.106 9.578 344 HA GLN 50 HA GLN 50 1.488 -2.460 9.627 345 HB2 GLN 50 1HB GLN 50 4.359 -1.625 9.557 346 HB3 GLN 50 2HB GLN 50 3.253 -0.808 8.455 347 HG2 GLN 50 1HG GLN 50 3.242 0.562 10.320 348 HG3 GLN 50 2HG GLN 50 1.737 -0.331 10.445 349 HE21 GLN 50 1HE2 GLN 50 1.847 -2.357 11.984 350 HE22 GLN 50 2HE2 GLN 50 2.881 -2.213 13.368 351 H TYR 51 H TYR 51 0.683 -1.859 7.580 352 HA TYR 51 HA TYR 51 1.840 -3.307 5.261 353 HB2 TYR 51 1HB TYR 51 -1.009 -2.558 5.965 354 HB3 TYR 51 2HB TYR 51 -0.473 -2.606 4.289 355 HD1 TYR 51 1HD TYR 51 0.449 -4.907 7.161 356 HD2 TYR 51 2HD TYR 51 -1.482 -4.493 3.305 357 HE1 TYR 51 1HE TYR 51 0.229 -7.342 7.000 358 HE2 TYR 51 2HE TYR 51 -1.798 -6.922 3.210 359 HH TYR 51 HH TYR 51 -1.877 -8.815 4.657 360 H LEU 52 H LEU 52 2.552 -2.024 3.663 361 HA LEU 52 HA LEU 52 2.482 0.921 4.058 362 HB2 LEU 52 1HB LEU 52 4.957 -0.654 3.299 363 HB3 LEU 52 2HB LEU 52 4.856 1.060 3.592 364 HG LEU 52 HG LEU 52 4.558 -1.122 5.703 365 HD11 LEU 52 1HD1 LEU 52 6.715 -0.238 6.496 366 HD12 LEU 52 2HD1 LEU 52 6.737 0.931 5.174 367 HD13 LEU 52 3HD1 LEU 52 6.845 -0.812 4.817 368 HD21 LEU 52 3HD2 LEU 52 3.244 0.743 6.478 369 HD22 LEU 52 1HD2 LEU 52 4.480 1.922 5.957 370 HD23 LEU 52 2HD2 LEU 52 4.779 0.821 7.313 371 H TYR 53 H TYR 53 3.538 1.928 1.937 372 HA TYR 53 HA TYR 53 3.516 0.066 -0.285 373 HB2 TYR 53 1HB TYR 53 2.182 1.323 -1.777 374 HB3 TYR 53 2HB TYR 53 1.227 0.954 -0.369 375 HD1 TYR 53 1HD TYR 53 0.966 2.893 1.464 376 HD2 TYR 53 2HD TYR 53 2.331 3.509 -2.589 377 HE1 TYR 53 1HE TYR 53 0.139 5.206 1.560 378 HE2 TYR 53 2HE TYR 53 1.586 5.823 -2.486 379 HH TYR 53 HH TYR 53 0.168 7.213 -1.427 380 H TRP 54 H TRP 54 4.724 0.883 -2.077 381 HA TRP 54 HA TRP 54 6.865 2.746 -1.307 382 HB2 TRP 54 1HB TRP 54 7.502 0.683 -2.450 383 HB3 TRP 54 2HB TRP 54 6.362 0.994 -3.757 384 HD1 TRP 54 HD TRP 54 7.713 1.513 -5.833 385 HE1 TRP 54 1HE TRP 54 9.761 2.871 -6.432 386 HE3 TRP 54 3HE TRP 54 8.970 3.114 -1.140 387 HZ2 TRP 54 2HZ TRP 54 11.715 4.571 -5.029 388 HZ3 TRP 54 3HZ TRP 54 10.877 4.548 -0.789 389 HH2 TRP 54 HH TRP 54 12.297 5.320 -2.734 390 H ASP 55 H ASP 55 6.515 4.929 -1.701 391 HA ASP 55 HA ASP 55 4.752 5.599 -4.023 392 HB2 ASP 55 1HB ASP 55 3.922 6.403 -1.794 393 HB3 ASP 55 2HB ASP 55 5.314 7.472 -1.726 394 H GLY 56 H GLY 56 6.315 5.415 -5.572 395 HA2 GLY 56 1HA GLY 56 8.950 6.360 -5.390 396 HA3 GLY 56 2HA GLY 56 8.046 6.046 -6.871 397 H GLU 57 H GLU 57 6.060 8.378 -5.532 398 HA GLU 57 HA GLU 57 7.407 10.518 -7.076 399 HB2 GLU 57 1HB GLU 57 4.936 10.741 -5.306 400 HB3 GLU 57 2HB GLU 57 5.577 11.929 -6.432 401 HG2 GLU 57 1HG GLU 57 5.216 9.984 -8.217 402 HG3 GLU 57 2HG GLU 57 4.052 9.397 -7.015 403 H ARG 58 H ARG 58 6.905 9.426 -3.784 404 HA ARG 58 HA ARG 58 8.336 11.789 -2.664 405 HB2 ARG 58 1HB ARG 58 6.367 9.788 -1.494 406 HB3 ARG 58 2HB ARG 58 7.319 10.902 -0.496 407 HG2 ARG 58 1HG ARG 58 6.463 12.830 -1.732 408 HG3 ARG 58 2HG ARG 58 5.480 11.795 -2.772 409 HD2 ARG 58 1HD ARG 58 3.960 11.263 -1.048 410 HD3 ARG 58 2HD ARG 58 5.123 11.652 0.217 411 HE ARG 58 HE ARG 58 4.848 13.917 -0.064 412 HH11 ARG 58 1HH1 ARG 58 2.714 12.233 -2.407 413 HH12 ARG 58 2HH1 ARG 58 1.684 13.599 -2.628 414 HH21 ARG 58 1HH2 ARG 58 3.635 15.775 -0.614 415 HH22 ARG 58 2HH2 ARG 58 2.387 15.668 -1.826 416 H ARG 59 H ARG 59 8.891 8.648 -3.595 417 HA ARG 59 HA ARG 59 10.422 7.076 -3.272 418 HB2 ARG 59 1HB ARG 59 12.293 9.439 -2.903 419 HB3 ARG 59 2HB ARG 59 12.779 7.778 -3.215 420 HG2 ARG 59 1HG ARG 59 11.669 7.668 -5.341 421 HG3 ARG 59 2HG ARG 59 10.909 9.250 -5.110 422 HD2 ARG 59 1HD ARG 59 12.867 9.190 -6.669 423 HD3 ARG 59 2HD ARG 59 12.854 10.428 -5.426 424 HE ARG 59 HE ARG 59 14.461 7.896 -5.287 425 HH11 ARG 59 1HH1 ARG 59 14.220 11.411 -4.653 426 HH12 ARG 59 2HH1 ARG 59 15.935 11.633 -4.800 427 HH21 ARG 59 1HH2 ARG 59 16.759 8.212 -4.587 428 HH22 ARG 59 2HH2 ARG 59 17.259 9.860 -4.393 429 H THR 60 H THR 60 8.888 7.177 -1.065 430 HA THR 60 HA THR 60 10.822 6.335 0.921 431 HB THR 60 HB THR 60 10.473 8.795 1.284 432 HG1 THR 60 1HG THR 60 10.490 8.572 3.403 433 HG21 THR 60 3HG2 THR 60 7.693 8.023 2.260 434 HG22 THR 60 1HG2 THR 60 8.025 8.906 0.760 435 HG23 THR 60 2HG2 THR 60 8.467 9.621 2.321 436 H TYR 61 H TYR 61 9.346 5.380 2.821 437 HA TYR 61 HA TYR 61 7.059 3.960 1.520 438 HB2 TYR 61 1HB TYR 61 8.746 3.204 3.921 439 HB3 TYR 61 2HB TYR 61 7.172 2.486 3.560 440 HD1 TYR 61 1HD TYR 61 10.677 2.780 2.405 441 HD2 TYR 61 2HD TYR 61 6.785 1.104 1.548 442 HE1 TYR 61 1HE TYR 61 11.641 1.471 0.568 443 HE2 TYR 61 2HE TYR 61 7.752 -0.221 -0.294 444 HH TYR 61 HH TYR 61 9.711 -0.730 -1.524 445 H VAL 62 H VAL 62 5.086 4.137 2.303 446 HA VAL 62 HA VAL 62 4.556 5.834 4.652 447 HB VAL 62 HB VAL 62 2.363 6.301 3.139 448 HG11 VAL 62 1HG1 VAL 62 3.759 7.995 4.267 449 HG12 VAL 62 2HG1 VAL 62 4.926 7.916 2.921 450 HG13 VAL 62 3HG1 VAL 62 3.264 8.489 2.646 451 HG21 VAL 62 3HG2 VAL 62 2.880 6.851 0.845 452 HG22 VAL 62 1HG2 VAL 62 4.577 6.391 1.031 453 HG23 VAL 62 2HG2 VAL 62 3.312 5.148 1.098 454 HA PRO 63 HA PRO 63 2.086 2.242 5.581 455 HB2 PRO 63 1HB PRO 63 0.055 3.292 7.110 456 HB3 PRO 63 2HB PRO 63 1.729 3.001 7.689 457 HG2 PRO 63 1HG PRO 63 0.468 5.582 6.770 458 HG3 PRO 63 2HG PRO 63 1.587 5.303 8.140 459 HD2 PRO 63 1HD PRO 63 2.363 6.293 5.682 460 HD3 PRO 63 2HD PRO 63 3.451 5.341 6.730 461 H ALA 64 H ALA 64 0.341 1.162 4.706 462 HA ALA 64 HA ALA 64 -1.408 2.702 2.851 463 HB1 ALA 64 1HB ALA 64 -0.019 0.989 1.719 464 HB2 ALA 64 2HB ALA 64 -0.825 -0.262 2.696 465 HB3 ALA 64 3HB ALA 64 -1.763 0.749 1.564 466 H LEU 65 H LEU 65 -1.949 2.594 5.711 467 HA LEU 65 HA LEU 65 -4.064 0.545 6.060 468 HB2 LEU 65 1HB LEU 65 -3.060 2.736 7.924 469 HB3 LEU 65 2HB LEU 65 -4.422 1.695 8.218 470 HG LEU 65 HG LEU 65 -2.815 -0.316 7.844 471 HD11 LEU 65 1HD1 LEU 65 -0.810 1.806 8.705 472 HD12 LEU 65 2HD1 LEU 65 -0.817 0.956 7.138 473 HD13 LEU 65 3HD1 LEU 65 -0.516 0.056 8.627 474 HD21 LEU 65 3HD2 LEU 65 -3.936 0.187 9.966 475 HD22 LEU 65 1HD2 LEU 65 -2.684 1.380 10.367 476 HD23 LEU 65 2HD2 LEU 65 -2.275 -0.344 10.253 477 H GLU 66 H GLU 66 -5.791 1.057 4.691 478 HA GLU 66 HA GLU 66 -7.575 1.946 3.960 479 HB2 GLU 66 1HB GLU 66 -7.574 2.506 6.622 480 HB3 GLU 66 2HB GLU 66 -7.712 4.121 5.953 481 HG2 GLU 66 1HG GLU 66 -9.571 2.079 4.766 482 HG3 GLU 66 2HG GLU 66 -9.766 2.298 6.497 483 H GLN 67 H GLN 67 -8.504 3.667 2.892 484 HA GLN 67 HA GLN 67 -7.213 6.086 2.110 485 HB2 GLN 67 1HB GLN 67 -6.826 3.535 0.567 486 HB3 GLN 67 2HB GLN 67 -7.454 4.875 -0.415 487 HG2 GLN 67 1HG GLN 67 -5.536 6.232 0.708 488 HG3 GLN 67 2HG GLN 67 -4.899 4.628 1.098 489 HE21 GLN 67 1HE2 GLN 67 -3.614 6.584 -0.719 490 HE22 GLN 67 2HE2 GLN 67 -3.545 5.772 -2.287 491 H SER 68 H SER 68 -8.470 7.223 0.400 492 HA SER 68 HA SER 68 -10.381 8.118 -0.314 493 HB2 SER 68 1HB SER 68 -11.367 5.509 -1.354 494 HB3 SER 68 2HB SER 68 -11.253 7.090 -2.123 495 HG SER 68 HG SER 68 -9.609 6.189 -3.062 496 H ALA 69 H ALA 69 -11.051 8.550 1.790 497 HA ALA 69 HA ALA 69 -12.448 6.944 3.528 498 HB1 ALA 69 1HB ALA 69 -12.471 9.982 3.304 499 HB2 ALA 69 2HB ALA 69 -12.944 9.039 4.731 500 HB3 ALA 69 3HB ALA 69 -11.270 8.991 4.160 501 H ASP 70 H ASP 70 -13.948 5.948 1.992 502 HA ASP 70 HA ASP 70 -16.687 7.073 2.457 503 HB2 ASP 70 1HB ASP 70 -15.610 5.702 0.000 504 HB3 ASP 70 2HB ASP 70 -17.322 5.626 0.421 505 H GLY 71 H GLY 71 -14.416 4.717 3.227 506 HA2 GLY 71 1HA GLY 71 -16.499 2.877 4.347 507 HA3 GLY 71 2HA GLY 71 -14.861 2.374 3.877 508 H HIS 72 H HIS 72 -13.026 3.380 5.122 509 HA HIS 72 HA HIS 72 -12.090 3.240 7.095 510 HB2 HIS 72 1HB HIS 72 -12.589 5.687 6.803 511 HB3 HIS 72 2HB HIS 72 -13.980 5.493 7.870 512 HD1 HIS 72 1HD HIS 72 -13.080 6.758 10.043 513 HD2 HIS 72 2HD HIS 72 -10.410 3.962 8.354 514 HE1 HIS 72 1HE HIS 72 -11.160 6.495 11.692 515 H LYS 73 H LYS 73 -14.093 1.301 6.785 516 HA LYS 73 HA LYS 73 -15.066 0.908 9.571 517 HB2 LYS 73 1HB LYS 73 -16.519 0.571 6.923 518 HB3 LYS 73 2HB LYS 73 -17.143 -0.137 8.393 519 HG2 LYS 73 1HG LYS 73 -16.489 2.787 8.458 520 HG3 LYS 73 2HG LYS 73 -17.871 2.302 7.483 521 HD2 LYS 73 1HD LYS 73 -17.522 1.515 10.403 522 HD3 LYS 73 2HD LYS 73 -18.322 3.011 9.885 523 HE2 LYS 73 1HE LYS 73 -20.217 1.976 9.380 524 HE3 LYS 73 2HE LYS 73 -19.370 0.879 8.278 525 HZ1 LYS 73 3HZ LYS 73 -20.537 -0.284 10.099 526 HZ2 LYS 73 1HZ LYS 73 -19.575 0.445 11.212 527 HZ3 LYS 73 2HZ LYS 73 -18.914 -0.574 10.134 528 H GLU 74 H GLU 74 -12.898 -0.152 7.685 529 HA GLU 74 HA GLU 74 -12.644 -2.740 8.840 530 HB2 GLU 74 1HB GLU 74 -13.005 -2.496 5.803 531 HB3 GLU 74 2HB GLU 74 -12.078 -3.793 6.560 532 HG2 GLU 74 1HG GLU 74 -14.194 -4.197 8.031 533 HG3 GLU 74 2HG GLU 74 -15.014 -3.219 6.807 534 H THR 75 H THR 75 -10.392 -3.561 7.569 535 HA THR 75 HA THR 75 -8.286 -1.722 8.052 536 HB THR 75 HB THR 75 -7.274 -3.485 6.244 537 HG1 THR 75 1HG THR 75 -9.351 -4.429 5.794 538 HG21 THR 75 3HG2 THR 75 -8.111 -4.166 9.105 539 HG22 THR 75 1HG2 THR 75 -6.629 -3.327 8.651 540 HG23 THR 75 2HG2 THR 75 -6.851 -5.028 8.189 541 H GLY 76 H GLY 76 -10.183 -2.474 5.167 542 HA2 GLY 76 1HA GLY 76 -8.649 -0.520 3.543 543 HA3 GLY 76 2HA GLY 76 -9.322 -2.047 2.934 544 H ALA 77 H ALA 77 -10.238 0.041 1.586 545 HA ALA 77 HA ALA 77 -12.819 0.857 2.847 546 HB1 ALA 77 1HB ALA 77 -10.922 2.506 2.563 547 HB2 ALA 77 2HB ALA 77 -11.252 2.423 0.830 548 HB3 ALA 77 3HB ALA 77 -12.508 2.978 1.969 549 HA PRO 78 HA PRO 78 -13.671 -1.866 -0.828 550 HB2 PRO 78 1HB PRO 78 -15.948 -3.082 0.128 551 HB3 PRO 78 2HB PRO 78 -14.292 -3.552 0.616 552 HG2 PRO 78 1HG PRO 78 -16.173 -1.644 2.055 553 HG3 PRO 78 2HG PRO 78 -15.321 -3.067 2.740 554 HD2 PRO 78 1HD PRO 78 -14.263 -0.630 3.011 555 HD3 PRO 78 2HD PRO 78 -13.205 -1.998 2.564 556 H SER 79 H SER 79 -15.248 0.871 0.299 557 HA SER 79 HA SER 79 -17.804 0.634 -0.856 558 HB2 SER 79 1HB SER 79 -17.006 3.365 -0.170 559 HB3 SER 79 2HB SER 79 -18.215 2.312 0.567 560 HG SER 79 HG SER 79 -15.501 2.705 1.115 561 H LYS 80 H LYS 80 -15.268 0.835 -2.847 562 HA LYS 80 HA LYS 80 -16.419 3.069 -4.464 563 HB2 LYS 80 1HB LYS 80 -13.789 1.575 -4.784 564 HB3 LYS 80 2HB LYS 80 -14.399 2.891 -5.811 565 HG2 LYS 80 1HG LYS 80 -14.575 4.344 -3.742 566 HG3 LYS 80 2HG LYS 80 -13.787 3.063 -2.824 567 HD2 LYS 80 1HD LYS 80 -12.216 4.779 -3.355 568 HD3 LYS 80 2HD LYS 80 -11.749 3.307 -4.178 569 HE2 LYS 80 1HE LYS 80 -13.479 5.295 -5.651 570 HE3 LYS 80 2HE LYS 80 -11.813 5.750 -5.345 571 HZ1 LYS 80 3HZ LYS 80 -11.061 3.808 -6.490 572 HZ2 LYS 80 1HZ LYS 80 -12.070 4.667 -7.464 573 HZ3 LYS 80 2HZ LYS 80 -12.597 3.280 -6.778 574 H GLU 81 H GLU 81 -16.833 -0.251 -4.141 575 HA GLU 81 HA GLU 81 -16.571 -1.061 -6.805 576 HB2 GLU 81 1HB GLU 81 -16.554 -2.526 -4.755 577 HB3 GLU 81 2HB GLU 81 -18.304 -2.395 -4.673 578 HG2 GLU 81 1HG GLU 81 -18.633 -3.680 -6.610 579 HG3 GLU 81 2HG GLU 81 -17.060 -3.254 -7.290 580 H GLY 82 H GLY 82 -19.184 0.683 -5.396 581 HA2 GLY 82 1HA GLY 82 -20.935 1.592 -6.675 582 HA3 GLY 82 2HA GLY 82 -20.892 0.222 -7.771 583 H LYS 83 H LYS 83 -20.773 -1.475 -5.064 584 HA LYS 83 HA LYS 83 -23.693 -1.235 -4.493 585 HB2 LYS 83 1HB LYS 83 -21.946 -3.643 -4.440 586 HB3 LYS 83 2HB LYS 83 -23.106 -3.450 -3.106 587 HG2 LYS 83 1HG LYS 83 -24.941 -3.019 -4.738 588 HG3 LYS 83 2HG LYS 83 -23.817 -3.317 -6.079 589 HD2 LYS 83 1HD LYS 83 -23.525 -5.641 -5.265 590 HD3 LYS 83 2HD LYS 83 -24.574 -5.291 -3.886 591 HE2 LYS 83 1HE LYS 83 -26.059 -6.331 -5.292 592 HE3 LYS 83 2HE LYS 83 -26.368 -4.639 -5.695 593 HZ1 LYS 83 3HZ LYS 83 -24.537 -6.418 -7.229 594 HZ2 LYS 83 1HZ LYS 83 -25.004 -4.939 -7.682 595 HZ3 LYS 83 2HZ LYS 83 -26.098 -6.162 -7.646 596 H GLU 84 H GLU 84 -20.574 -1.670 -2.711 597 HA GLU 84 HA GLU 84 -19.723 -0.462 -1.100 598 HB2 GLU 84 1HB GLU 84 -19.783 1.948 -1.442 599 HB3 GLU 84 2HB GLU 84 -19.386 0.945 -2.853 600 HG2 GLU 84 1HG GLU 84 -21.655 1.353 -3.760 601 HG3 GLU 84 2HG GLU 84 -22.004 2.387 -2.373 602 H LYS 85 H LYS 85 -22.885 1.263 -1.020 603 HA LYS 85 HA LYS 85 -23.022 0.604 1.888 604 HB2 LYS 85 1HB LYS 85 -23.313 3.268 0.504 605 HB3 LYS 85 2HB LYS 85 -24.356 2.965 1.869 606 HG2 LYS 85 1HG LYS 85 -21.314 2.782 1.945 607 HG3 LYS 85 2HG LYS 85 -22.270 4.159 2.482 608 HD2 LYS 85 1HD LYS 85 -22.234 1.389 3.750 609 HD3 LYS 85 2HD LYS 85 -21.560 2.883 4.402 610 HE2 LYS 85 1HE LYS 85 -23.873 3.866 4.452 611 HE3 LYS 85 2HE LYS 85 -24.510 2.303 3.896 612 HZ1 LYS 85 3HZ LYS 85 -24.699 2.473 6.277 613 HZ2 LYS 85 1HZ LYS 85 -23.127 2.819 6.467 614 HZ3 LYS 85 2HZ LYS 85 -23.564 1.330 5.971 615 H LYS 86 H LYS 86 -24.140 -0.310 -0.792 616 HA LYS 86 HA LYS 86 -25.790 -1.262 -1.765 617 HB2 LYS 86 1HB LYS 86 -27.464 -2.370 -0.694 618 HB3 LYS 86 2HB LYS 86 -26.352 -2.123 0.641 619 HG2 LYS 86 1HG LYS 86 -27.980 0.178 0.711 620 HG3 LYS 86 2HG LYS 86 -29.083 -1.049 0.150 621 HD2 LYS 86 1HD LYS 86 -29.341 -1.855 2.210 622 HD3 LYS 86 2HD LYS 86 -27.603 -2.093 2.449 623 HE2 LYS 86 1HE LYS 86 -27.262 0.007 3.384 624 HE3 LYS 86 2HE LYS 86 -28.632 0.731 2.534 625 HZ1 LYS 86 3HZ LYS 86 -28.909 -1.131 4.797 626 HZ2 LYS 86 1HZ LYS 86 -30.133 -0.411 3.947 627 HZ3 LYS 86 2HZ LYS 86 -29.126 0.519 4.848 628 H GLU 87 H GLU 87 -28.079 -0.797 -2.530 629 HA GLU 87 HA GLU 87 -28.234 1.523 -3.853 630 HB2 GLU 87 1HB GLU 87 -29.992 -0.710 -3.319 631 HB3 GLU 87 2HB GLU 87 -30.958 0.745 -3.174 632 HG2 GLU 87 1HG GLU 87 -31.106 -0.038 -5.434 633 HG3 GLU 87 2HG GLU 87 -30.178 1.461 -5.448 634 H LYS 88 H LYS 88 -29.401 1.123 -0.549 635 HA LYS 88 HA LYS 88 -30.263 2.609 0.962 636 HB2 LYS 88 1HB LYS 88 -27.841 3.509 0.311 637 HB3 LYS 88 2HB LYS 88 -28.746 4.886 -0.314 638 HG2 LYS 88 1HG LYS 88 -29.917 4.928 2.019 639 HG3 LYS 88 2HG LYS 88 -28.706 3.752 2.525 640 HD2 LYS 88 1HD LYS 88 -28.228 6.613 1.595 641 HD3 LYS 88 2HD LYS 88 -28.078 5.984 3.225 642 HE2 LYS 88 1HE LYS 88 -25.902 5.714 2.817 643 HE3 LYS 88 2HE LYS 88 -26.346 4.320 1.813 644 HZ1 LYS 88 3HZ LYS 88 -25.991 7.108 0.871 645 HZ2 LYS 88 1HZ LYS 88 -26.319 5.819 -0.120 646 HZ3 LYS 88 2HZ LYS 88 -24.920 5.906 0.657 647 H HIS 89 H HIS 89 -30.782 5.473 0.364 648 HA HIS 89 HA HIS 89 -32.294 6.912 -0.495 649 HB2 HIS 89 1HB HIS 89 -30.953 5.573 -2.854 650 HB3 HIS 89 2HB HIS 89 -31.629 7.191 -2.854 651 HD1 HIS 89 1HD HIS 89 -28.429 6.508 -3.339 652 HD2 HIS 89 2HD HIS 89 -30.360 8.074 0.101 653 HE1 HIS 89 1HE HIS 89 -26.717 7.827 -2.102 654 H LYS 90 H LYS 90 -33.684 3.953 -0.812 655 HA LYS 90 HA LYS 90 -35.839 3.344 -1.323 656 HB2 LYS 90 1HB LYS 90 -36.425 5.982 -1.315 657 HB3 LYS 90 2HB LYS 90 -36.366 5.749 -3.055 658 HG2 LYS 90 1HG LYS 90 -38.550 5.348 -2.768 659 HG3 LYS 90 2HG LYS 90 -37.999 3.686 -2.481 660 HD2 LYS 90 1HD LYS 90 -38.134 4.114 -0.028 661 HD3 LYS 90 2HD LYS 90 -38.602 5.805 -0.374 662 HE2 LYS 90 1HE LYS 90 -40.483 4.801 -1.840 663 HE3 LYS 90 2HE LYS 90 -40.141 3.259 -1.050 664 HZ1 LYS 90 3HZ LYS 90 -41.914 4.440 0.049 665 HZ2 LYS 90 1HZ LYS 90 -40.978 5.766 0.277 666 HZ3 LYS 90 2HZ LYS 90 -40.629 4.364 1.077 667 H THR 91 H THR 91 -36.876 3.600 -4.127 668 HA THR 91 HA THR 91 -34.606 2.297 -5.525 669 HB THR 91 HB THR 91 -37.545 1.509 -5.623 670 HG1 THR 91 1HG THR 91 -35.398 0.513 -4.067 671 HG21 THR 91 3HG2 THR 91 -36.623 -0.652 -6.474 672 HG22 THR 91 1HG2 THR 91 -34.994 0.058 -6.497 673 HG23 THR 91 2HG2 THR 91 -36.267 0.682 -7.561 674 H LYS 92 H LYS 92 -35.563 5.008 -5.341 675 HA LYS 92 HA LYS 92 -36.399 6.863 -6.335 676 HB2 LYS 92 1HB LYS 92 -37.466 5.091 -8.580 677 HB3 LYS 92 2HB LYS 92 -37.872 6.765 -8.304 678 HG2 LYS 92 1HG LYS 92 -36.265 6.725 -10.050 679 HG3 LYS 92 2HG LYS 92 -35.489 7.435 -8.642 680 HD2 LYS 92 1HD LYS 92 -34.256 5.382 -8.218 681 HD3 LYS 92 2HD LYS 92 -35.168 4.522 -9.487 682 HE2 LYS 92 1HE LYS 92 -34.113 5.846 -11.205 683 HE3 LYS 92 2HE LYS 92 -33.297 6.857 -9.990 684 HZ1 LYS 92 3HZ LYS 92 -32.834 3.923 -10.215 685 HZ2 LYS 92 1HZ LYS 92 -32.023 4.977 -9.283 686 HZ3 LYS 92 2HZ LYS 92 -31.862 5.049 -10.891 Start of MODEL 2 1 H1 GLY 1 H GLY 1 30.922 14.099 -3.692 2 HA2 GLY 1 1HA GLY 1 31.301 13.937 -6.166 3 HA3 GLY 1 2HA GLY 1 29.723 13.106 -6.231 4 H HIS 2 H HIS 2 28.280 14.679 -7.137 5 HA HIS 2 HA HIS 2 28.418 17.458 -6.061 6 HB2 HIS 2 1HB HIS 2 27.101 18.036 -8.062 7 HB3 HIS 2 2HB HIS 2 28.680 17.358 -8.434 8 HD1 HIS 2 1HD HIS 2 28.662 15.318 -10.111 9 HD2 HIS 2 2HD HIS 2 24.932 16.309 -8.431 10 HE1 HIS 2 1HE HIS 2 26.941 13.816 -11.240 11 H MET 3 H MET 3 27.175 14.846 -4.900 12 HA MET 3 HA MET 3 24.663 15.983 -3.934 13 HB2 MET 3 1HB MET 3 24.973 13.246 -5.285 14 HB3 MET 3 2HB MET 3 23.621 13.682 -4.219 15 HG2 MET 3 1HG MET 3 22.872 15.380 -5.702 16 HG3 MET 3 2HG MET 3 24.323 15.302 -6.672 17 HE1 MET 3 3HE MET 3 22.198 12.132 -5.447 18 HE2 MET 3 1HE MET 3 21.000 13.417 -5.748 19 HE3 MET 3 2HE MET 3 21.081 12.004 -6.823 20 H GLN 4 H GLN 4 25.243 16.053 -1.799 21 HA GLN 4 HA GLN 4 25.575 13.559 -0.404 22 HB2 GLN 4 1HB GLN 4 27.552 14.323 0.938 23 HB3 GLN 4 2HB GLN 4 27.906 13.747 -0.668 24 HG2 GLN 4 1HG GLN 4 27.544 16.727 -0.338 25 HG3 GLN 4 2HG GLN 4 28.972 15.986 0.353 26 HE21 GLN 4 1HE2 GLN 4 27.748 17.357 -2.513 27 HE22 GLN 4 2HE2 GLN 4 29.124 16.807 -3.501 28 H GLU 5 H GLU 5 23.421 14.667 -0.210 29 HA GLU 5 HA GLU 5 23.506 16.477 2.172 30 HB2 GLU 5 1HB GLU 5 22.932 17.561 -0.165 31 HB3 GLU 5 2HB GLU 5 21.376 16.759 0.046 32 HG2 GLU 5 1HG GLU 5 21.300 19.085 0.805 33 HG3 GLU 5 2HG GLU 5 21.010 17.997 2.160 34 H SER 6 H SER 6 22.518 13.502 0.944 35 HA SER 6 HA SER 6 20.984 11.937 1.613 36 HB2 SER 6 1HB SER 6 21.322 13.351 4.258 37 HB3 SER 6 2HB SER 6 20.683 11.717 4.011 38 HG SER 6 HG SER 6 22.746 11.419 4.440 39 H TYR 7 H TYR 7 19.779 14.398 0.447 40 HA TYR 7 HA TYR 7 17.449 15.126 1.868 41 HB2 TYR 7 1HB TYR 7 16.754 16.261 -0.006 42 HB3 TYR 7 2HB TYR 7 18.489 16.296 -0.129 43 HD1 TYR 7 1HD TYR 7 15.390 14.617 -1.486 44 HD2 TYR 7 2HD TYR 7 19.533 15.579 -2.138 45 HE1 TYR 7 1HE TYR 7 15.143 13.976 -3.835 46 HE2 TYR 7 2HE TYR 7 19.286 14.961 -4.536 47 HH TYR 7 HH TYR 7 17.872 13.975 -6.126 48 H SER 8 H SER 8 18.182 12.147 0.413 49 HA SER 8 HA SER 8 15.351 11.286 0.221 50 HB2 SER 8 1HB SER 8 16.987 11.124 -1.750 51 HB3 SER 8 2HB SER 8 17.849 9.883 -0.825 52 HG SER 8 HG SER 8 15.999 8.595 -0.909 53 H GLN 9 H GLN 9 14.649 10.152 2.026 54 HA GLN 9 HA GLN 9 16.391 8.813 3.858 55 HB2 GLN 9 1HB GLN 9 13.416 9.012 3.415 56 HB3 GLN 9 2HB GLN 9 14.032 7.644 4.344 57 HG2 GLN 9 1HG GLN 9 13.384 9.486 5.816 58 HG3 GLN 9 2HG GLN 9 15.092 9.091 5.953 59 HE21 GLN 9 1HE2 GLN 9 12.776 11.512 4.644 60 HE22 GLN 9 2HE2 GLN 9 13.953 12.798 4.542 61 H TYR 10 H TYR 10 14.022 7.608 1.400 62 HA TYR 10 HA TYR 10 15.370 4.958 1.487 63 HB2 TYR 10 1HB TYR 10 12.555 5.960 1.071 64 HB3 TYR 10 2HB TYR 10 12.988 4.401 0.440 65 HD1 TYR 10 1HD TYR 10 13.798 2.556 1.972 66 HD2 TYR 10 2HD TYR 10 12.246 6.297 3.491 67 HE1 TYR 10 1HE TYR 10 13.549 1.550 4.192 68 HE2 TYR 10 2HE TYR 10 11.892 5.256 5.690 69 HH TYR 10 HH TYR 10 13.530 2.773 6.736 70 HA PRO 11 HA PRO 11 16.172 5.189 -2.921 71 HB2 PRO 11 1HB PRO 11 16.013 2.614 -3.780 72 HB3 PRO 11 2HB PRO 11 17.268 3.129 -2.611 73 HG2 PRO 11 1HG PRO 11 14.624 1.768 -2.051 74 HG3 PRO 11 2HG PRO 11 16.239 1.361 -1.385 75 HD2 PRO 11 1HD PRO 11 14.371 2.918 -0.093 76 HD3 PRO 11 2HD PRO 11 16.113 3.066 0.196 77 H VAL 12 H VAL 12 15.072 4.254 -5.116 78 HA VAL 12 HA VAL 12 12.168 4.821 -4.856 79 HB VAL 12 HB VAL 12 13.929 5.234 -7.290 80 HG11 VAL 12 1HG1 VAL 12 11.030 5.968 -6.666 81 HG12 VAL 12 2HG1 VAL 12 11.911 6.426 -8.142 82 HG13 VAL 12 3HG1 VAL 12 11.540 4.743 -7.802 83 HG21 VAL 12 3HG2 VAL 12 13.430 7.662 -6.784 84 HG22 VAL 12 1HG2 VAL 12 12.786 7.161 -5.219 85 HG23 VAL 12 2HG2 VAL 12 14.500 6.905 -5.601 86 HA PRO 13 HA PRO 13 12.736 0.296 -5.634 87 HB2 PRO 13 1HB PRO 13 10.512 -0.619 -4.379 88 HB3 PRO 13 2HB PRO 13 11.892 0.011 -3.418 89 HG2 PRO 13 1HG PRO 13 9.387 1.532 -4.290 90 HG3 PRO 13 2HG PRO 13 10.041 1.378 -2.637 91 HD2 PRO 13 1HD PRO 13 10.640 3.529 -4.170 92 HD3 PRO 13 2HD PRO 13 11.873 2.764 -3.105 93 H ASP 14 H ASP 14 11.097 -1.331 -6.789 94 HA ASP 14 HA ASP 14 8.999 0.129 -8.242 95 HB2 ASP 14 1HB ASP 14 11.330 0.134 -9.558 96 HB3 ASP 14 2HB ASP 14 10.915 -1.569 -9.867 97 H VAL 15 H VAL 15 7.372 -1.239 -8.710 98 HA VAL 15 HA VAL 15 7.230 -3.813 -7.349 99 HB VAL 15 HB VAL 15 5.294 -3.271 -9.474 100 HG11 VAL 15 1HG1 VAL 15 4.607 -3.788 -6.733 101 HG12 VAL 15 2HG1 VAL 15 3.623 -3.987 -8.151 102 HG13 VAL 15 3HG1 VAL 15 5.074 -5.066 -7.898 103 HG21 VAL 15 3HG2 VAL 15 4.097 -1.495 -8.836 104 HG22 VAL 15 1HG2 VAL 15 5.199 -1.134 -7.449 105 HG23 VAL 15 2HG2 VAL 15 5.687 -1.032 -9.222 106 H SER 16 H SER 16 8.328 -2.635 -10.415 107 HA SER 16 HA SER 16 7.552 -4.726 -11.954 108 HB2 SER 16 1HB SER 16 9.197 -3.942 -13.565 109 HB3 SER 16 2HB SER 16 8.316 -2.660 -12.874 110 HG SER 16 HG SER 16 10.402 -2.046 -12.796 111 H THR 17 H THR 17 9.946 -4.629 -9.454 112 HA THR 17 HA THR 17 11.144 -7.209 -10.237 113 HB THR 17 HB THR 17 12.684 -5.372 -10.608 114 HG1 THR 17 1HG THR 17 13.212 -7.196 -8.619 115 HG21 THR 17 3HG2 THR 17 12.409 -4.772 -7.649 116 HG22 THR 17 1HG2 THR 17 12.008 -3.676 -9.024 117 HG23 THR 17 2HG2 THR 17 13.684 -4.131 -8.704 118 H TYR 18 H TYR 18 8.798 -6.215 -8.229 119 HA TYR 18 HA TYR 18 9.713 -7.472 -5.755 120 HB2 TYR 18 1HB TYR 18 6.953 -6.815 -6.888 121 HB3 TYR 18 2HB TYR 18 7.237 -7.530 -5.292 122 HD1 TYR 18 1HD TYR 18 9.918 -5.540 -5.084 123 HD2 TYR 18 2HD TYR 18 5.669 -5.210 -5.422 124 HE1 TYR 18 1HE TYR 18 10.087 -3.184 -4.480 125 HE2 TYR 18 2HE TYR 18 5.791 -2.774 -5.054 126 HH TYR 18 HH TYR 18 7.187 -1.039 -4.254 127 H GLN 19 H GLN 19 8.403 -9.457 -5.089 128 HA GLN 19 HA GLN 19 8.199 -11.411 -7.340 129 HB2 GLN 19 1HB GLN 19 9.244 -11.791 -4.500 130 HB3 GLN 19 2HB GLN 19 8.798 -13.078 -5.612 131 HG2 GLN 19 1HG GLN 19 10.432 -11.788 -7.292 132 HG3 GLN 19 2HG GLN 19 11.134 -11.214 -5.769 133 HE21 GLN 19 1HE2 GLN 19 12.035 -12.896 -4.277 134 HE22 GLN 19 2HE2 GLN 19 12.222 -14.554 -4.803 135 H TYR 20 H TYR 20 6.142 -11.652 -7.729 136 HA TYR 20 HA TYR 20 3.922 -11.450 -5.960 137 HB2 TYR 20 1HB TYR 20 3.832 -11.402 -8.419 138 HB3 TYR 20 2HB TYR 20 4.368 -13.067 -8.496 139 HD1 TYR 20 1HD TYR 20 1.614 -10.891 -7.108 140 HD2 TYR 20 2HD TYR 20 2.802 -14.861 -8.362 141 HE1 TYR 20 1HE TYR 20 -0.743 -11.632 -7.067 142 HE2 TYR 20 2HE TYR 20 0.469 -15.560 -8.389 143 HH TYR 20 HH TYR 20 -1.864 -14.592 -8.442 144 H ASP 21 H ASP 21 2.876 -12.933 -4.740 145 HA ASP 21 HA ASP 21 4.030 -15.671 -4.542 146 HB2 ASP 21 1HB ASP 21 4.152 -13.686 -2.526 147 HB3 ASP 21 2HB ASP 21 2.926 -14.780 -1.993 148 H GLU 22 H GLU 22 2.563 -16.649 -5.765 149 HA GLU 22 HA GLU 22 -0.170 -16.152 -5.960 150 HB2 GLU 22 1HB GLU 22 -0.323 -18.624 -6.708 151 HB3 GLU 22 2HB GLU 22 0.614 -17.501 -7.679 152 HG2 GLU 22 1HG GLU 22 2.666 -18.254 -6.826 153 HG3 GLU 22 2HG GLU 22 1.875 -19.281 -5.604 154 H THR 23 H THR 23 1.488 -17.809 -3.492 155 HA THR 23 HA THR 23 -0.390 -19.519 -2.248 156 HB THR 23 HB THR 23 1.956 -19.401 -1.553 157 HG1 THR 23 1HG THR 23 0.785 -20.065 0.188 158 HG21 THR 23 3HG2 THR 23 2.944 -17.518 -0.424 159 HG22 THR 23 1HG2 THR 23 1.401 -16.643 -0.372 160 HG23 THR 23 2HG2 THR 23 2.225 -16.917 -1.905 161 H SER 24 H SER 24 -0.107 -15.963 -2.252 162 HA SER 24 HA SER 24 -2.666 -15.820 -0.747 163 HB2 SER 24 1HB SER 24 -1.658 -14.598 0.779 164 HB3 SER 24 2HB SER 24 -0.120 -14.947 0.030 165 HG SER 24 HG SER 24 -1.706 -12.677 -0.054 166 H GLY 25 H GLY 25 -0.623 -14.153 -3.200 167 HA2 GLY 25 1HA GLY 25 -1.661 -13.541 -5.329 168 HA3 GLY 25 2HA GLY 25 -3.150 -13.113 -4.472 169 H TYR 26 H TYR 26 0.153 -12.183 -3.459 170 HA TYR 26 HA TYR 26 -0.406 -9.318 -4.021 171 HB2 TYR 26 1HB TYR 26 0.286 -10.669 -1.390 172 HB3 TYR 26 2HB TYR 26 0.729 -9.023 -1.658 173 HD1 TYR 26 1HD TYR 26 -2.216 -11.345 -1.641 174 HD2 TYR 26 2HD TYR 26 -0.932 -7.266 -1.559 175 HE1 TYR 26 1HE TYR 26 -4.499 -10.690 -1.049 176 HE2 TYR 26 2HE TYR 26 -3.246 -6.570 -0.829 177 HH TYR 26 HH TYR 26 -5.773 -8.985 -0.142 178 H TYR 27 H TYR 27 1.714 -8.161 -3.735 179 HA TYR 27 HA TYR 27 3.970 -9.706 -4.883 180 HB2 TYR 27 1HB TYR 27 3.380 -6.762 -4.667 181 HB3 TYR 27 2HB TYR 27 4.869 -7.409 -5.289 182 HD1 TYR 27 1HD TYR 27 4.677 -9.070 -7.314 183 HD2 TYR 27 2HD TYR 27 1.421 -6.478 -6.077 184 HE1 TYR 27 1HE TYR 27 3.434 -9.574 -9.405 185 HE2 TYR 27 2HE TYR 27 0.320 -6.912 -8.218 186 HH TYR 27 HH TYR 27 1.228 -9.564 -10.338 187 H TYR 28 H TYR 28 5.898 -9.932 -3.657 188 HA TYR 28 HA TYR 28 5.882 -8.781 -0.917 189 HB2 TYR 28 1HB TYR 28 6.154 -11.234 -0.969 190 HB3 TYR 28 2HB TYR 28 7.466 -11.084 -2.139 191 HD1 TYR 28 2HD TYR 28 6.651 -9.365 1.126 192 HD2 TYR 28 1HD TYR 28 9.524 -11.614 -1.160 193 HE1 TYR 28 2HE TYR 28 8.245 -9.153 2.974 194 HE2 TYR 28 1HE TYR 28 11.153 -11.439 0.728 195 HH TYR 28 HH TYR 28 11.484 -10.707 2.935 196 H ASP 29 H ASP 29 7.331 -7.186 -0.513 197 HA ASP 29 HA ASP 29 8.921 -6.229 -2.727 198 HB2 ASP 29 1HB ASP 29 8.226 -4.503 -0.409 199 HB3 ASP 29 2HB ASP 29 8.387 -4.142 -2.103 200 HA PRO 30 HA PRO 30 11.919 -7.816 0.428 201 HB2 PRO 30 1HB PRO 30 13.965 -8.446 -1.315 202 HB3 PRO 30 2HB PRO 30 12.599 -9.550 -0.897 203 HG2 PRO 30 1HG PRO 30 12.956 -7.731 -3.277 204 HG3 PRO 30 2HG PRO 30 12.382 -9.437 -3.276 205 HD2 PRO 30 1HD PRO 30 10.607 -7.410 -3.406 206 HD3 PRO 30 2HD PRO 30 10.308 -8.818 -2.336 207 H GLN 31 H GLN 31 12.019 -5.119 -1.563 208 HA GLN 31 HA GLN 31 14.728 -4.236 -1.066 209 HB2 GLN 31 1HB GLN 31 13.111 -3.397 -2.883 210 HB3 GLN 31 2HB GLN 31 12.313 -2.440 -1.627 211 HG2 GLN 31 1HG GLN 31 14.027 -0.908 -1.528 212 HG3 GLN 31 2HG GLN 31 15.276 -2.136 -1.679 213 HE21 GLN 31 1HE2 GLN 31 16.462 -0.658 -3.118 214 HE22 GLN 31 2HE2 GLN 31 15.959 -0.574 -4.790 215 H THR 32 H THR 32 11.687 -4.185 0.751 216 HA THR 32 HA THR 32 13.147 -3.132 3.103 217 HB THR 32 HB THR 32 10.887 -1.997 3.616 218 HG1 THR 32 1HG THR 32 9.768 -1.391 1.719 219 HG21 THR 32 3HG2 THR 32 12.441 -0.855 1.237 220 HG22 THR 32 1HG2 THR 32 13.076 -0.838 2.885 221 HG23 THR 32 2HG2 THR 32 11.595 0.040 2.527 222 H GLY 33 H GLY 33 10.777 -5.403 1.818 223 HA2 GLY 33 1HA GLY 33 10.342 -7.445 2.963 224 HA3 GLY 33 2HA GLY 33 10.638 -6.640 4.514 225 H LEU 34 H LEU 34 8.699 -4.881 2.193 226 HA LEU 34 HA LEU 34 6.257 -5.250 3.867 227 HB2 LEU 34 1HB LEU 34 6.788 -3.331 1.583 228 HB3 LEU 34 2HB LEU 34 5.395 -3.346 2.595 229 HG LEU 34 HG LEU 34 8.190 -2.905 3.703 230 HD11 LEU 34 1HD1 LEU 34 7.706 -1.219 1.995 231 HD12 LEU 34 2HD1 LEU 34 7.787 -0.522 3.609 232 HD13 LEU 34 3HD1 LEU 34 6.202 -0.769 2.821 233 HD21 LEU 34 3HD2 LEU 34 6.550 -3.535 5.384 234 HD22 LEU 34 1HD2 LEU 34 5.385 -2.318 4.796 235 HD23 LEU 34 2HD2 LEU 34 6.933 -1.830 5.559 236 H TYR 35 H TYR 35 4.204 -5.140 2.208 237 HA TYR 35 HA TYR 35 4.671 -6.826 -0.176 238 HB2 TYR 35 1HB TYR 35 2.410 -7.039 1.862 239 HB3 TYR 35 2HB TYR 35 2.251 -7.606 0.222 240 HD1 TYR 35 1HD TYR 35 4.423 -8.116 3.245 241 HD2 TYR 35 2HD TYR 35 2.790 -9.757 -0.369 242 HE1 TYR 35 1HE TYR 35 5.250 -10.401 3.891 243 HE2 TYR 35 2HE TYR 35 3.555 -11.976 0.214 244 HH TYR 35 HH TYR 35 4.896 -13.283 1.850 245 H TYR 36 H TYR 36 3.546 -6.122 -1.950 246 HA TYR 36 HA TYR 36 1.828 -3.681 -1.698 247 HB2 TYR 36 1HB TYR 36 3.942 -3.256 -2.799 248 HB3 TYR 36 2HB TYR 36 3.744 -4.616 -3.849 249 HD1 TYR 36 1HD TYR 36 2.421 -1.218 -3.029 250 HD2 TYR 36 2HD TYR 36 2.550 -4.433 -5.907 251 HE1 TYR 36 1HE TYR 36 1.449 0.270 -4.783 252 HE2 TYR 36 2HE TYR 36 1.706 -2.906 -7.673 253 HH TYR 36 HH TYR 36 0.795 -0.811 -8.133 254 H ASP 37 H ASP 37 0.082 -3.527 -3.098 255 HA ASP 37 HA ASP 37 -0.927 -6.015 -4.411 256 HB2 ASP 37 1HB ASP 37 -2.246 -5.534 -2.382 257 HB3 ASP 37 2HB ASP 37 -2.657 -3.950 -3.021 258 HA PRO 38 HA PRO 38 -1.013 -3.227 -7.854 259 HB2 PRO 38 1HB PRO 38 -2.401 -4.708 -9.701 260 HB3 PRO 38 2HB PRO 38 -0.763 -5.140 -9.120 261 HG2 PRO 38 1HG PRO 38 -3.428 -6.179 -8.085 262 HG3 PRO 38 2HG PRO 38 -1.983 -7.161 -8.529 263 HD2 PRO 38 1HD PRO 38 -2.521 -6.544 -6.011 264 HD3 PRO 38 2HD PRO 38 -0.860 -6.513 -6.571 265 H ASN 39 H ASN 39 -4.132 -4.333 -6.552 266 HA ASN 39 HA ASN 39 -5.734 -2.356 -8.089 267 HB2 ASN 39 1HB ASN 39 -6.256 -4.709 -6.225 268 HB3 ASN 39 2HB ASN 39 -7.390 -3.382 -6.230 269 HD21 ASN 39 1HD2 ASN 39 -6.584 -6.261 -7.908 270 HD22 ASN 39 2HD2 ASN 39 -7.745 -5.992 -9.194 271 H SER 40 H SER 40 -3.983 -2.763 -5.105 272 HA SER 40 HA SER 40 -5.152 -0.258 -3.929 273 HB2 SER 40 1HB SER 40 -4.692 -2.969 -2.593 274 HB3 SER 40 2HB SER 40 -4.920 -1.443 -1.697 275 HG SER 40 HG SER 40 -6.741 -2.950 -3.245 276 H GLN 41 H GLN 41 -3.335 0.911 -4.438 277 HA GLN 41 HA GLN 41 -0.631 0.288 -4.103 278 HB2 GLN 41 1HB GLN 41 -2.128 2.896 -4.245 279 HB3 GLN 41 2HB GLN 41 -0.377 2.766 -4.173 280 HG2 GLN 41 1HG GLN 41 -1.121 3.030 -6.445 281 HG3 GLN 41 2HG GLN 41 -0.236 1.563 -6.185 282 HE21 GLN 41 1HE2 GLN 41 -1.045 0.006 -7.489 283 HE22 GLN 41 2HE2 GLN 41 -2.707 -0.407 -7.708 284 H TYR 42 H TYR 42 -2.159 -0.311 -1.576 285 HA TYR 42 HA TYR 42 -0.854 1.484 0.410 286 HB2 TYR 42 1HB TYR 42 -3.264 -0.350 0.778 287 HB3 TYR 42 2HB TYR 42 -2.555 0.701 2.002 288 HD1 TYR 42 1HD TYR 42 -2.123 3.229 0.930 289 HD2 TYR 42 2HD TYR 42 -5.368 0.525 0.039 290 HE1 TYR 42 1HE TYR 42 -3.540 5.155 0.306 291 HE2 TYR 42 2HE TYR 42 -6.778 2.448 -0.635 292 HH TYR 42 HH TYR 42 -5.601 5.346 -1.421 293 H TYR 43 H TYR 43 1.037 0.664 0.753 294 HA TYR 43 HA TYR 43 1.956 -2.027 0.374 295 HB2 TYR 43 1HB TYR 43 3.112 0.544 1.540 296 HB3 TYR 43 2HB TYR 43 3.951 -0.984 1.731 297 HD1 TYR 43 1HD TYR 43 2.665 1.344 -0.916 298 HD2 TYR 43 2HD TYR 43 5.281 -1.935 0.062 299 HE1 TYR 43 1HE TYR 43 3.782 1.599 -3.094 300 HE2 TYR 43 2HE TYR 43 6.382 -1.736 -2.115 301 HH TYR 43 HH TYR 43 5.283 0.706 -4.537 302 H TYR 44 H TYR 44 1.604 -3.616 1.800 303 HA TYR 44 HA TYR 44 0.471 -3.160 4.449 304 HB2 TYR 44 1HB TYR 44 -0.457 -4.896 3.098 305 HB3 TYR 44 2HB TYR 44 1.105 -5.618 2.804 306 HD1 TYR 44 1HD TYR 44 -1.162 -4.722 5.672 307 HD2 TYR 44 2HD TYR 44 1.756 -7.473 4.090 308 HE1 TYR 44 1HE TYR 44 -1.586 -6.260 7.569 309 HE2 TYR 44 2HE TYR 44 1.355 -8.992 5.995 310 HH TYR 44 HH TYR 44 -0.100 -9.500 7.676 311 H ASN 45 H ASN 45 1.533 -3.159 6.264 312 HA ASN 45 HA ASN 45 4.404 -3.887 6.472 313 HB2 ASN 45 1HB ASN 45 3.792 -1.614 7.066 314 HB3 ASN 45 2HB ASN 45 2.602 -2.221 8.235 315 HD21 ASN 45 1HD2 ASN 45 3.523 -1.415 10.103 316 HD22 ASN 45 2HD2 ASN 45 5.100 -1.946 10.697 317 H ALA 46 H ALA 46 3.737 -6.137 6.407 318 HA ALA 46 HA ALA 46 2.176 -7.593 8.107 319 HB1 ALA 46 1HB ALA 46 3.725 -9.429 7.822 320 HB2 ALA 46 2HB ALA 46 3.677 -8.511 6.307 321 HB3 ALA 46 3HB ALA 46 5.053 -8.326 7.425 322 H GLN 47 H GLN 47 5.296 -6.124 8.942 323 HA GLN 47 HA GLN 47 6.014 -7.231 11.274 324 HB2 GLN 47 1HB GLN 47 6.840 -5.183 9.651 325 HB3 GLN 47 2HB GLN 47 6.207 -4.246 11.018 326 HG2 GLN 47 1HG GLN 47 7.631 -5.840 12.483 327 HG3 GLN 47 2HG GLN 47 8.360 -6.362 10.947 328 HE21 GLN 47 1HE2 GLN 47 9.493 -4.572 9.624 329 HE22 GLN 47 2HE2 GLN 47 10.208 -3.256 10.513 330 H SER 48 H SER 48 3.365 -4.877 10.892 331 HA SER 48 HA SER 48 2.612 -5.443 13.716 332 HB2 SER 48 1HB SER 48 2.546 -2.701 12.461 333 HB3 SER 48 2HB SER 48 1.926 -3.111 14.061 334 HG SER 48 HG SER 48 4.147 -3.803 14.533 335 H GLN 49 H GLN 49 1.808 -6.259 10.839 336 HA GLN 49 HA GLN 49 0.127 -6.294 9.385 337 HB2 GLN 49 1HB GLN 49 -1.728 -6.353 11.810 338 HB3 GLN 49 2HB GLN 49 -2.101 -6.909 10.176 339 HG2 GLN 49 1HG GLN 49 -0.403 -8.718 10.425 340 HG3 GLN 49 2HG GLN 49 -0.089 -8.183 12.071 341 HE21 GLN 49 1HE2 GLN 49 -1.552 -8.693 13.713 342 HE22 GLN 49 2HE2 GLN 49 -2.957 -9.695 13.492 343 H GLN 50 H GLN 50 1.080 -3.678 9.851 344 HA GLN 50 HA GLN 50 -1.347 -1.988 9.987 345 HB2 GLN 50 1HB GLN 50 1.213 -1.761 11.168 346 HB3 GLN 50 2HB GLN 50 1.245 -0.597 9.874 347 HG2 GLN 50 1HG GLN 50 0.508 0.216 12.152 348 HG3 GLN 50 2HG GLN 50 -0.531 0.637 10.784 349 HE21 GLN 50 1HE2 GLN 50 -0.503 -2.577 12.603 350 HE22 GLN 50 2HE2 GLN 50 -2.203 -2.455 12.855 351 H TYR 51 H TYR 51 -1.285 -0.052 8.512 352 HA TYR 51 HA TYR 51 -0.606 -1.055 5.807 353 HB2 TYR 51 1HB TYR 51 -3.076 0.289 6.936 354 HB3 TYR 51 2HB TYR 51 -2.578 0.636 5.307 355 HD1 TYR 51 2HD TYR 51 -2.717 -2.545 7.382 356 HD2 TYR 51 1HD TYR 51 -3.795 -0.548 3.721 357 HE1 TYR 51 2HE TYR 51 -3.628 -4.664 6.496 358 HE2 TYR 51 1HE TYR 51 -4.703 -2.627 2.826 359 HH TYR 51 HH TYR 51 -5.082 -4.819 3.207 360 H LEU 52 H LEU 52 0.628 0.152 4.570 361 HA LEU 52 HA LEU 52 1.276 2.937 5.294 362 HB2 LEU 52 1HB LEU 52 3.244 0.957 4.149 363 HB3 LEU 52 2HB LEU 52 3.592 2.568 4.726 364 HG LEU 52 HG LEU 52 2.707 0.252 6.499 365 HD11 LEU 52 1HD1 LEU 52 4.871 -0.142 5.487 366 HD12 LEU 52 2HD1 LEU 52 5.075 0.232 7.209 367 HD13 LEU 52 3HD1 LEU 52 5.439 1.471 5.984 368 HD21 LEU 52 3HD2 LEU 52 3.633 3.064 7.186 369 HD22 LEU 52 1HD2 LEU 52 3.677 1.716 8.343 370 HD23 LEU 52 2HD2 LEU 52 2.134 2.223 7.679 371 H TYR 53 H TYR 53 2.551 3.879 3.285 372 HA TYR 53 HA TYR 53 1.868 2.802 0.691 373 HB2 TYR 53 1HB TYR 53 1.033 4.871 -0.217 374 HB3 TYR 53 2HB TYR 53 -0.033 4.291 1.029 375 HD1 TYR 53 1HD TYR 53 0.565 5.408 3.518 376 HD2 TYR 53 2HD TYR 53 1.429 7.182 -0.308 377 HE1 TYR 53 1HE TYR 53 0.367 7.658 4.525 378 HE2 TYR 53 2HE TYR 53 1.297 9.435 0.738 379 HH TYR 53 HH TYR 53 0.442 10.642 2.663 380 H TRP 54 H TRP 54 3.346 3.719 -0.901 381 HA TRP 54 HA TRP 54 5.876 4.822 0.177 382 HB2 TRP 54 1HB TRP 54 6.060 3.111 -1.571 383 HB3 TRP 54 2HB TRP 54 4.927 3.970 -2.602 384 HD1 TRP 54 HD TRP 54 5.978 5.478 -4.375 385 HE1 TRP 54 1HE TRP 54 8.259 6.590 -4.787 386 HE3 TRP 54 3HE TRP 54 8.295 4.156 -0.019 387 HZ2 TRP 54 2HZ TRP 54 10.745 6.892 -3.381 388 HZ3 TRP 54 3HZ TRP 54 10.583 4.910 0.461 389 HH2 TRP 54 HH TRP 54 11.831 6.313 -1.212 390 H ASP 55 H ASP 55 6.392 7.020 -0.149 391 HA ASP 55 HA ASP 55 4.601 8.609 -1.896 392 HB2 ASP 55 1HB ASP 55 3.917 9.041 0.442 393 HB3 ASP 55 2HB ASP 55 5.558 9.566 0.823 394 H GLY 56 H GLY 56 5.895 8.914 -3.562 395 HA2 GLY 56 1HA GLY 56 8.768 9.114 -3.380 396 HA3 GLY 56 2HA GLY 56 7.768 9.303 -4.824 397 H GLU 57 H GLU 57 6.305 11.469 -2.813 398 HA GLU 57 HA GLU 57 7.821 13.795 -3.779 399 HB2 GLU 57 1HB GLU 57 5.561 13.622 -1.746 400 HB3 GLU 57 2HB GLU 57 6.169 15.055 -2.562 401 HG2 GLU 57 1HG GLU 57 5.514 14.007 -4.775 402 HG3 GLU 57 2HG GLU 57 4.722 12.711 -3.889 403 H ARG 58 H ARG 58 7.492 11.824 -0.894 404 HA ARG 58 HA ARG 58 9.398 13.536 0.632 405 HB2 ARG 58 1HB ARG 58 7.259 11.526 1.435 406 HB3 ARG 58 2HB ARG 58 8.437 12.183 2.580 407 HG2 ARG 58 1HG ARG 58 7.706 14.465 2.116 408 HG3 ARG 58 2HG ARG 58 6.531 13.882 0.919 409 HD2 ARG 58 1HD ARG 58 5.124 12.966 2.477 410 HD3 ARG 58 2HD ARG 58 6.397 12.692 3.675 411 HE ARG 58 HE ARG 58 6.272 15.424 3.548 412 HH11 ARG 58 1HH1 ARG 58 3.667 13.013 3.862 413 HH12 ARG 58 2HH1 ARG 58 2.870 13.791 5.179 414 HH21 ARG 58 1HH2 ARG 58 5.173 16.489 5.321 415 HH22 ARG 58 2HH2 ARG 58 3.613 15.906 5.869 416 H ARG 59 H ARG 59 9.296 10.661 -1.081 417 HA ARG 59 HA ARG 59 10.455 8.790 -1.290 418 HB2 ARG 59 1HB ARG 59 12.827 10.501 -0.444 419 HB3 ARG 59 2HB ARG 59 12.932 8.883 -1.147 420 HG2 ARG 59 1HG ARG 59 11.812 9.583 -3.195 421 HG3 ARG 59 2HG ARG 59 11.561 11.202 -2.536 422 HD2 ARG 59 1HD ARG 59 14.051 11.531 -2.426 423 HD3 ARG 59 2HD ARG 59 14.240 9.902 -3.110 424 HE ARG 59 HE ARG 59 13.930 10.707 -5.163 425 HH11 ARG 59 1HH1 ARG 59 12.549 13.161 -2.950 426 HH12 ARG 59 2HH1 ARG 59 11.645 13.924 -4.235 427 HH21 ARG 59 1HH2 ARG 59 12.888 11.938 -6.833 428 HH22 ARG 59 2HH2 ARG 59 12.050 13.402 -6.437 429 H THR 60 H THR 60 8.933 8.418 0.714 430 HA THR 60 HA THR 60 10.498 6.702 2.385 431 HB THR 60 HB THR 60 10.632 8.873 3.622 432 HG1 THR 60 1HG THR 60 9.215 7.643 5.458 433 HG21 THR 60 3HG2 THR 60 8.441 9.839 3.037 434 HG22 THR 60 1HG2 THR 60 8.659 9.749 4.790 435 HG23 THR 60 2HG2 THR 60 7.617 8.576 3.959 436 H TYR 61 H TYR 61 8.967 5.469 3.872 437 HA TYR 61 HA TYR 61 6.346 4.979 2.566 438 HB2 TYR 61 1HB TYR 61 7.854 3.336 4.639 439 HB3 TYR 61 2HB TYR 61 6.259 2.967 4.001 440 HD1 TYR 61 1HD TYR 61 9.883 3.121 3.210 441 HD2 TYR 61 2HD TYR 61 5.967 2.040 1.736 442 HE1 TYR 61 1HE TYR 61 10.926 1.847 1.390 443 HE2 TYR 61 2HE TYR 61 6.999 0.723 -0.068 444 HH TYR 61 HH TYR 61 8.991 -0.159 -0.877 445 H VAL 62 H VAL 62 4.559 5.577 3.651 446 HA VAL 62 HA VAL 62 4.748 6.596 6.405 447 HB VAL 62 HB VAL 62 2.883 8.242 5.344 448 HG11 VAL 62 1HG1 VAL 62 5.895 8.668 5.448 449 HG12 VAL 62 2HG1 VAL 62 4.692 9.965 5.337 450 HG13 VAL 62 3HG1 VAL 62 4.726 8.919 6.761 451 HG21 VAL 62 3HG2 VAL 62 3.363 7.470 2.966 452 HG22 VAL 62 1HG2 VAL 62 3.572 9.205 3.239 453 HG23 VAL 62 2HG2 VAL 62 4.991 8.158 3.133 454 HA PRO 63 HA PRO 63 1.283 4.006 7.073 455 HB2 PRO 63 1HB PRO 63 -0.174 5.255 9.046 456 HB3 PRO 63 2HB PRO 63 1.397 4.435 9.311 457 HG2 PRO 63 1HG PRO 63 0.852 7.390 8.890 458 HG3 PRO 63 2HG PRO 63 1.931 6.627 10.089 459 HD2 PRO 63 1HD PRO 63 2.848 7.696 7.750 460 HD3 PRO 63 2HD PRO 63 3.593 6.223 8.441 461 H ALA 64 H ALA 64 -0.532 3.564 5.888 462 HA ALA 64 HA ALA 64 -1.718 5.831 4.457 463 HB1 ALA 64 1HB ALA 64 -2.667 4.008 2.991 464 HB2 ALA 64 2HB ALA 64 -0.919 3.927 3.108 465 HB3 ALA 64 3HB ALA 64 -1.926 2.800 4.052 466 H LEU 65 H LEU 65 -2.498 4.872 7.152 467 HA LEU 65 HA LEU 65 -4.844 3.561 7.423 468 HB2 LEU 65 1HB LEU 65 -3.628 5.793 9.038 469 HB3 LEU 65 2HB LEU 65 -5.242 5.244 9.438 470 HG LEU 65 HG LEU 65 -3.299 4.208 10.707 471 HD11 LEU 65 1HD1 LEU 65 -5.642 3.424 10.788 472 HD12 LEU 65 2HD1 LEU 65 -4.479 2.113 10.962 473 HD13 LEU 65 3HD1 LEU 65 -5.329 2.348 9.413 474 HD21 LEU 65 3HD2 LEU 65 -1.844 3.601 8.807 475 HD22 LEU 65 1HD2 LEU 65 -3.065 2.430 8.241 476 HD23 LEU 65 2HD2 LEU 65 -2.271 2.215 9.807 477 H GLU 66 H GLU 66 -5.235 7.136 7.735 478 HA GLU 66 HA GLU 66 -7.913 6.829 6.583 479 HB2 GLU 66 1HB GLU 66 -6.468 9.361 7.424 480 HB3 GLU 66 2HB GLU 66 -8.166 9.200 7.053 481 HG2 GLU 66 1HG GLU 66 -8.109 9.272 9.385 482 HG3 GLU 66 2HG GLU 66 -8.360 7.562 9.021 483 H GLN 67 H GLN 67 -4.903 8.590 5.705 484 HA GLN 67 HA GLN 67 -4.204 9.716 3.945 485 HB2 GLN 67 1HB GLN 67 -4.585 7.057 3.203 486 HB3 GLN 67 2HB GLN 67 -5.253 7.933 1.845 487 HG2 GLN 67 1HG GLN 67 -2.490 8.516 3.015 488 HG3 GLN 67 2HG GLN 67 -2.764 7.301 1.771 489 HE21 GLN 67 1HE2 GLN 67 -3.113 7.972 -0.447 490 HE22 GLN 67 2HE2 GLN 67 -3.248 9.650 -0.876 491 H SER 68 H SER 68 -7.084 10.356 4.834 492 HA SER 68 HA SER 68 -7.340 12.449 3.017 493 HB2 SER 68 1HB SER 68 -9.738 11.994 2.352 494 HB3 SER 68 2HB SER 68 -8.541 10.974 1.553 495 HG SER 68 HG SER 68 -9.056 9.422 3.348 496 H ALA 69 H ALA 69 -8.353 14.060 3.940 497 HA ALA 69 HA ALA 69 -9.878 13.742 6.474 498 HB1 ALA 69 1HB ALA 69 -7.752 15.834 5.837 499 HB2 ALA 69 2HB ALA 69 -8.774 15.821 7.279 500 HB3 ALA 69 3HB ALA 69 -7.618 14.511 7.024 501 H ASP 70 H ASP 70 -10.292 14.346 3.329 502 HA ASP 70 HA ASP 70 -12.238 16.567 3.746 503 HB2 ASP 70 1HB ASP 70 -10.138 17.145 2.429 504 HB3 ASP 70 2HB ASP 70 -10.734 16.028 1.184 505 H GLY 71 H GLY 71 -13.921 15.134 4.155 506 HA2 GLY 71 1HA GLY 71 -15.868 14.491 2.809 507 HA3 GLY 71 2HA GLY 71 -14.789 13.435 1.892 508 H HIS 72 H HIS 72 -16.990 12.366 3.188 509 HA HIS 72 HA HIS 72 -16.288 11.266 5.822 510 HB2 HIS 72 1HB HIS 72 -18.565 10.837 3.863 511 HB3 HIS 72 2HB HIS 72 -18.362 9.851 5.306 512 HD1 HIS 72 1HD HIS 72 -20.975 11.063 5.387 513 HD2 HIS 72 2HD HIS 72 -17.493 13.026 6.751 514 HE1 HIS 72 1HE HIS 72 -21.724 12.754 7.166 515 H LYS 73 H LYS 73 -14.251 10.220 5.269 516 HA LYS 73 HA LYS 73 -14.849 7.473 4.287 517 HB2 LYS 73 1HB LYS 73 -12.156 8.730 3.663 518 HB3 LYS 73 2HB LYS 73 -12.777 7.154 3.202 519 HG2 LYS 73 1HG LYS 73 -13.082 8.168 1.220 520 HG3 LYS 73 2HG LYS 73 -14.634 8.603 1.933 521 HD2 LYS 73 1HD LYS 73 -13.536 10.812 2.669 522 HD3 LYS 73 2HD LYS 73 -12.093 10.291 1.788 523 HE2 LYS 73 1HE LYS 73 -13.799 9.919 -0.197 524 HE3 LYS 73 2HE LYS 73 -14.840 11.003 0.729 525 HZ1 LYS 73 3HZ LYS 73 -12.179 11.557 -0.419 526 HZ2 LYS 73 1HZ LYS 73 -12.896 12.606 0.649 527 HZ3 LYS 73 2HZ LYS 73 -13.617 12.283 -0.772 528 H GLU 74 H GLU 74 -13.029 5.933 5.047 529 HA GLU 74 HA GLU 74 -11.625 6.785 7.453 530 HB2 GLU 74 1HB GLU 74 -13.940 6.021 8.180 531 HB3 GLU 74 2HB GLU 74 -13.491 4.400 7.646 532 HG2 GLU 74 1HG GLU 74 -12.172 4.070 9.516 533 HG3 GLU 74 2HG GLU 74 -11.498 5.702 9.460 534 H THR 75 H THR 75 -12.590 3.864 5.722 535 HA THR 75 HA THR 75 -9.830 3.620 4.676 536 HB THR 75 HB THR 75 -10.081 1.056 4.943 537 HG1 THR 75 1HG THR 75 -11.446 1.621 7.299 538 HG21 THR 75 3HG2 THR 75 -9.477 2.648 7.472 539 HG22 THR 75 1HG2 THR 75 -8.350 2.397 6.129 540 HG23 THR 75 2HG2 THR 75 -8.917 1.007 7.071 541 H GLY 76 H GLY 76 -13.289 3.025 4.333 542 HA2 GLY 76 1HA GLY 76 -13.000 2.158 1.544 543 HA3 GLY 76 2HA GLY 76 -13.329 0.882 2.725 544 H ALA 77 H ALA 77 -15.402 0.664 1.443 545 HA ALA 77 HA ALA 77 -17.433 2.274 2.873 546 HB1 ALA 77 1HB ALA 77 -17.594 1.630 -0.080 547 HB2 ALA 77 2HB ALA 77 -18.880 2.352 0.922 548 HB3 ALA 77 3HB ALA 77 -17.372 3.239 0.653 549 HA PRO 78 HA PRO 78 -17.927 -2.298 3.561 550 HB2 PRO 78 1HB PRO 78 -18.439 -1.983 6.278 551 HB3 PRO 78 2HB PRO 78 -16.836 -2.323 5.585 552 HG2 PRO 78 1HG PRO 78 -18.006 0.334 6.391 553 HG3 PRO 78 2HG PRO 78 -16.347 -0.291 6.676 554 HD2 PRO 78 1HD PRO 78 -16.880 1.447 4.680 555 HD3 PRO 78 2HD PRO 78 -15.717 0.134 4.420 556 H SER 79 H SER 79 -19.875 -2.604 2.626 557 HA SER 79 HA SER 79 -22.113 -2.334 2.079 558 HB2 SER 79 1HB SER 79 -22.182 -2.453 5.091 559 HB3 SER 79 2HB SER 79 -23.622 -2.548 4.061 560 HG SER 79 HG SER 79 -22.940 -4.525 4.530 561 H LYS 80 H LYS 80 -20.724 0.141 1.934 562 HA LYS 80 HA LYS 80 -23.001 1.972 2.444 563 HB2 LYS 80 1HB LYS 80 -20.921 2.066 4.136 564 HB3 LYS 80 2HB LYS 80 -20.223 3.035 2.833 565 HG2 LYS 80 1HG LYS 80 -22.427 4.395 2.914 566 HG3 LYS 80 2HG LYS 80 -22.810 3.531 4.394 567 HD2 LYS 80 1HD LYS 80 -20.137 4.946 4.198 568 HD3 LYS 80 2HD LYS 80 -21.589 5.912 4.341 569 HE2 LYS 80 1HE LYS 80 -20.591 5.550 6.521 570 HE3 LYS 80 2HE LYS 80 -22.220 4.881 6.435 571 HZ1 LYS 80 3HZ LYS 80 -21.345 2.723 6.391 572 HZ2 LYS 80 1HZ LYS 80 -20.496 3.488 7.548 573 HZ3 LYS 80 2HZ LYS 80 -19.778 3.258 6.103 574 H GLU 81 H GLU 81 -21.726 0.479 0.087 575 HA GLU 81 HA GLU 81 -22.178 2.645 -1.781 576 HB2 GLU 81 1HB GLU 81 -19.734 2.906 -1.201 577 HB3 GLU 81 2HB GLU 81 -19.459 1.276 -1.813 578 HG2 GLU 81 1HG GLU 81 -20.570 2.230 -4.015 579 HG3 GLU 81 2HG GLU 81 -20.245 3.811 -3.305 580 H GLY 82 H GLY 82 -23.905 0.706 -1.553 581 HA2 GLY 82 1HA GLY 82 -25.047 -0.734 -2.916 582 HA3 GLY 82 2HA GLY 82 -23.731 -0.641 -4.085 583 H LYS 83 H LYS 83 -21.665 -1.697 -2.277 584 HA LYS 83 HA LYS 83 -21.957 -4.507 -2.407 585 HB2 LYS 83 1HB LYS 83 -20.085 -2.687 -0.981 586 HB3 LYS 83 2HB LYS 83 -20.451 -4.136 -0.075 587 HG2 LYS 83 1HG LYS 83 -19.980 -5.395 -2.346 588 HG3 LYS 83 2HG LYS 83 -19.107 -3.919 -2.775 589 HD2 LYS 83 1HD LYS 83 -18.488 -5.129 -0.091 590 HD3 LYS 83 2HD LYS 83 -18.057 -6.105 -1.468 591 HE2 LYS 83 1HE LYS 83 -17.142 -3.222 -1.062 592 HE3 LYS 83 2HE LYS 83 -16.245 -4.644 -0.525 593 HZ1 LYS 83 3HZ LYS 83 -15.391 -3.958 -2.557 594 HZ2 LYS 83 1HZ LYS 83 -16.831 -3.914 -3.316 595 HZ3 LYS 83 2HZ LYS 83 -16.187 -5.375 -2.867 596 H GLU 84 H GLU 84 -23.430 -2.299 -0.166 597 HA GLU 84 HA GLU 84 -24.038 -3.896 2.020 598 HB2 GLU 84 1HB GLU 84 -25.869 -2.319 2.385 599 HB3 GLU 84 2HB GLU 84 -24.402 -1.499 1.844 600 HG2 GLU 84 1HG GLU 84 -25.361 -1.507 -0.517 601 HG3 GLU 84 2HG GLU 84 -26.892 -1.993 0.208 602 H LYS 85 H LYS 85 -25.559 -3.795 -1.201 603 HA LYS 85 HA LYS 85 -27.463 -5.925 -0.344 604 HB2 LYS 85 1HB LYS 85 -28.032 -3.423 -1.394 605 HB3 LYS 85 2HB LYS 85 -28.069 -4.413 -2.832 606 HG2 LYS 85 1HG LYS 85 -29.666 -4.759 -0.258 607 HG3 LYS 85 2HG LYS 85 -30.287 -4.180 -1.799 608 HD2 LYS 85 1HD LYS 85 -29.318 -7.008 -1.222 609 HD3 LYS 85 2HD LYS 85 -31.000 -6.491 -1.275 610 HE2 LYS 85 1HE LYS 85 -30.977 -6.100 -3.619 611 HE3 LYS 85 2HE LYS 85 -29.213 -6.031 -3.662 612 HZ1 LYS 85 3HZ LYS 85 -30.793 -8.478 -3.259 613 HZ2 LYS 85 1HZ LYS 85 -29.152 -8.382 -3.119 614 HZ3 LYS 85 2HZ LYS 85 -29.861 -8.071 -4.573 615 H LYS 86 H LYS 86 -24.558 -5.766 -1.785 616 HA LYS 86 HA LYS 86 -25.224 -7.939 -3.757 617 HB2 LYS 86 1HB LYS 86 -22.654 -6.350 -3.446 618 HB3 LYS 86 2HB LYS 86 -22.801 -7.872 -4.320 619 HG2 LYS 86 1HG LYS 86 -24.743 -6.717 -5.638 620 HG3 LYS 86 2HG LYS 86 -24.046 -5.199 -5.015 621 HD2 LYS 86 1HD LYS 86 -21.817 -5.984 -5.878 622 HD3 LYS 86 2HD LYS 86 -22.626 -7.395 -6.600 623 HE2 LYS 86 1HE LYS 86 -24.048 -5.841 -7.951 624 HE3 LYS 86 2HE LYS 86 -23.121 -4.473 -7.296 625 HZ1 LYS 86 3HZ LYS 86 -22.085 -6.694 -8.953 626 HZ2 LYS 86 1HZ LYS 86 -21.129 -5.527 -8.259 627 HZ3 LYS 86 2HZ LYS 86 -22.240 -5.103 -9.392 628 H GLU 87 H GLU 87 -23.196 -7.083 -0.921 629 HA GLU 87 HA GLU 87 -22.220 -8.310 0.638 630 HB2 GLU 87 1HB GLU 87 -24.724 -8.709 0.795 631 HB3 GLU 87 2HB GLU 87 -24.425 -10.339 0.213 632 HG2 GLU 87 1HG GLU 87 -23.012 -10.807 2.151 633 HG3 GLU 87 2HG GLU 87 -23.046 -9.090 2.618 634 H LYS 88 H LYS 88 -20.437 -8.522 -0.887 635 HA LYS 88 HA LYS 88 -19.927 -11.327 -1.702 636 HB2 LYS 88 1HB LYS 88 -21.098 -10.008 -3.556 637 HB3 LYS 88 2HB LYS 88 -19.634 -9.059 -3.742 638 HG2 LYS 88 1HG LYS 88 -19.661 -12.094 -3.852 639 HG3 LYS 88 2HG LYS 88 -20.132 -11.156 -5.250 640 HD2 LYS 88 1HD LYS 88 -17.400 -10.875 -3.966 641 HD3 LYS 88 2HD LYS 88 -17.787 -12.082 -5.202 642 HE2 LYS 88 1HE LYS 88 -18.635 -10.098 -6.613 643 HE3 LYS 88 2HE LYS 88 -17.792 -9.057 -5.470 644 HZ1 LYS 88 3HZ LYS 88 -15.706 -10.169 -6.129 645 HZ2 LYS 88 1HZ LYS 88 -16.492 -9.594 -7.430 646 HZ3 LYS 88 2HZ LYS 88 -16.547 -11.197 -7.115 647 H HIS 89 H HIS 89 -18.580 -11.074 0.209 648 HA HIS 89 HA HIS 89 -16.136 -9.467 0.007 649 HB2 HIS 89 1HB HIS 89 -17.245 -10.206 2.190 650 HB3 HIS 89 2HB HIS 89 -16.720 -11.844 1.830 651 HD1 HIS 89 1HD HIS 89 -14.186 -12.389 2.630 652 HD2 HIS 89 2HD HIS 89 -15.166 -8.291 2.375 653 HE1 HIS 89 1HE HIS 89 -12.327 -11.131 3.757 654 H LYS 90 H LYS 90 -14.674 -10.047 -1.609 655 HA LYS 90 HA LYS 90 -13.909 -12.853 -1.807 656 HB2 LYS 90 1HB LYS 90 -16.034 -12.399 -3.294 657 HB3 LYS 90 2HB LYS 90 -14.892 -11.604 -4.378 658 HG2 LYS 90 1HG LYS 90 -14.984 -13.732 -5.238 659 HG3 LYS 90 2HG LYS 90 -13.594 -13.912 -4.172 660 HD2 LYS 90 1HD LYS 90 -15.078 -14.948 -2.478 661 HD3 LYS 90 2HD LYS 90 -16.482 -14.691 -3.525 662 HE2 LYS 90 1HE LYS 90 -15.827 -16.276 -5.095 663 HE3 LYS 90 2HE LYS 90 -14.122 -16.189 -4.639 664 HZ1 LYS 90 3HZ LYS 90 -15.181 -18.248 -3.905 665 HZ2 LYS 90 1HZ LYS 90 -16.194 -17.413 -2.929 666 HZ3 LYS 90 2HZ LYS 90 -14.587 -17.393 -2.652 667 H THR 91 H THR 91 -13.291 -9.461 -2.521 668 HA THR 91 HA THR 91 -11.413 -8.415 -3.186 669 HB THR 91 HB THR 91 -10.425 -10.276 -1.009 670 HG1 THR 91 1HG THR 91 -11.586 -8.046 -0.095 671 HG21 THR 91 3HG2 THR 91 -8.762 -8.610 -1.790 672 HG22 THR 91 1HG2 THR 91 -9.359 -8.187 -0.176 673 HG23 THR 91 2HG2 THR 91 -9.956 -7.314 -1.609 674 H LYS 92 H LYS 92 -11.458 -9.528 -5.334 675 HA LYS 92 HA LYS 92 -8.884 -10.315 -6.156 676 HB2 LYS 92 1HB LYS 92 -10.670 -12.519 -5.361 677 HB3 LYS 92 2HB LYS 92 -10.453 -12.536 -7.082 678 HG2 LYS 92 1HG LYS 92 -7.849 -12.235 -6.451 679 HG3 LYS 92 2HG LYS 92 -8.402 -12.891 -4.900 680 HD2 LYS 92 1HD LYS 92 -7.712 -14.752 -6.231 681 HD3 LYS 92 2HD LYS 92 -9.484 -14.785 -6.241 682 HE2 LYS 92 1HE LYS 92 -9.459 -13.549 -8.439 683 HE3 LYS 92 2HE LYS 92 -7.693 -13.606 -8.418 684 HZ1 LYS 92 3HZ LYS 92 -8.830 -15.352 -9.747 685 HZ2 LYS 92 1HZ LYS 92 -9.318 -16.054 -8.330 686 HZ3 LYS 92 2HZ LYS 92 -7.725 -15.899 -8.671 Start of MODEL 3 1 H1 GLY 1 H GLY 1 28.653 17.244 3.974 2 HA2 GLY 1 1HA GLY 1 27.768 19.335 4.795 3 HA3 GLY 1 2HA GLY 1 29.220 19.659 3.821 4 H HIS 2 H HIS 2 27.971 21.804 3.802 5 HA HIS 2 HA HIS 2 26.956 23.422 2.662 6 HB2 HIS 2 1HB HIS 2 25.845 21.521 0.590 7 HB3 HIS 2 2HB HIS 2 26.064 23.258 0.486 8 HD1 HIS 2 1HD HIS 2 27.802 20.070 -0.308 9 HD2 HIS 2 2HD HIS 2 28.799 24.106 0.432 10 HE1 HIS 2 1HE HIS 2 30.144 20.443 -1.284 11 H MET 3 H MET 3 24.306 23.369 1.562 12 HA MET 3 HA MET 3 22.792 23.186 4.032 13 HB2 MET 3 1HB MET 3 22.766 25.015 2.084 14 HB3 MET 3 2HB MET 3 21.609 23.910 1.348 15 HG2 MET 3 1HG MET 3 20.252 24.019 3.480 16 HG3 MET 3 2HG MET 3 21.394 25.207 4.095 17 HE1 MET 3 3HE MET 3 19.302 27.157 4.433 18 HE2 MET 3 1HE MET 3 17.963 27.059 3.273 19 HE3 MET 3 2HE MET 3 18.455 25.610 4.176 20 H GLN 4 H GLN 4 20.220 22.460 2.756 21 HA GLN 4 HA GLN 4 20.601 19.888 1.517 22 HB2 GLN 4 1HB GLN 4 19.486 20.190 4.310 23 HB3 GLN 4 2HB GLN 4 18.586 19.177 3.185 24 HG2 GLN 4 1HG GLN 4 20.734 17.948 2.659 25 HG3 GLN 4 2HG GLN 4 21.487 18.810 4.010 26 HE21 GLN 4 1HE2 GLN 4 18.656 16.684 3.177 27 HE22 GLN 4 2HE2 GLN 4 18.412 16.118 4.809 28 H GLU 5 H GLU 5 18.825 19.296 0.316 29 HA GLU 5 HA GLU 5 17.323 21.345 -0.817 30 HB2 GLU 5 1HB GLU 5 18.146 19.262 -1.802 31 HB3 GLU 5 2HB GLU 5 16.950 18.325 -0.933 32 HG2 GLU 5 1HG GLU 5 15.246 18.939 -2.383 33 HG3 GLU 5 2HG GLU 5 15.886 20.576 -2.601 34 H SER 6 H SER 6 16.604 19.627 2.051 35 HA SER 6 HA SER 6 14.907 19.671 3.551 36 HB2 SER 6 1HB SER 6 15.628 22.071 3.240 37 HB3 SER 6 2HB SER 6 14.214 22.280 2.194 38 HG SER 6 HG SER 6 13.583 22.897 4.112 39 H TYR 7 H TYR 7 14.081 17.818 2.172 40 HA TYR 7 HA TYR 7 11.401 18.405 0.996 41 HB2 TYR 7 1HB TYR 7 11.714 16.424 -0.352 42 HB3 TYR 7 2HB TYR 7 12.985 17.613 -0.617 43 HD1 TYR 7 2HD TYR 7 12.190 14.384 0.966 44 HD2 TYR 7 1HD TYR 7 15.279 17.054 -0.291 45 HE1 TYR 7 2HE TYR 7 13.868 12.564 1.342 46 HE2 TYR 7 1HE TYR 7 16.979 15.292 0.041 47 HH TYR 7 HH TYR 7 16.109 11.951 1.096 48 H SER 8 H SER 8 13.029 16.629 3.484 49 HA SER 8 HA SER 8 12.350 15.160 5.081 50 HB2 SER 8 1HB SER 8 11.260 17.458 5.456 51 HB3 SER 8 2HB SER 8 9.733 16.682 5.020 52 HG SER 8 HG SER 8 9.678 15.949 6.936 53 H GLN 9 H GLN 9 12.337 13.465 3.187 54 HA GLN 9 HA GLN 9 9.881 11.995 3.388 55 HB2 GLN 9 1HB GLN 9 11.185 12.548 0.697 56 HB3 GLN 9 2HB GLN 9 10.058 11.260 0.965 57 HG2 GLN 9 1HG GLN 9 9.334 14.145 1.442 58 HG3 GLN 9 2HG GLN 9 9.039 13.241 -0.037 59 HE21 GLN 9 1HE2 GLN 9 6.833 14.260 0.878 60 HE22 GLN 9 2HE2 GLN 9 5.887 13.174 1.875 61 H TYR 10 H TYR 10 10.297 9.786 2.165 62 HA TYR 10 HA TYR 10 11.708 8.387 4.155 63 HB2 TYR 10 1HB TYR 10 10.435 7.659 1.516 64 HB3 TYR 10 2HB TYR 10 11.204 6.445 2.489 65 HD1 TYR 10 1HD TYR 10 8.341 8.835 2.385 66 HD2 TYR 10 2HD TYR 10 10.305 5.716 4.643 67 HE1 TYR 10 1HE TYR 10 6.347 8.618 3.843 68 HE2 TYR 10 2HE TYR 10 8.350 5.524 6.097 69 HH TYR 10 HH TYR 10 5.690 6.035 5.560 70 HA PRO 11 HA PRO 11 15.773 7.654 2.317 71 HB2 PRO 11 1HB PRO 11 16.314 5.094 3.103 72 HB3 PRO 11 2HB PRO 11 16.234 6.442 4.279 73 HG2 PRO 11 1HG PRO 11 14.002 4.513 3.505 74 HG3 PRO 11 2HG PRO 11 14.600 4.884 5.147 75 HD2 PRO 11 1HD PRO 11 12.459 6.134 4.192 76 HD3 PRO 11 2HD PRO 11 13.663 7.065 5.114 77 H VAL 12 H VAL 12 16.812 5.814 0.925 78 HA VAL 12 HA VAL 12 14.871 4.950 -1.126 79 HB VAL 12 HB VAL 12 17.843 5.283 -1.475 80 HG11 VAL 12 1HG1 VAL 12 15.552 5.106 -3.501 81 HG12 VAL 12 2HG1 VAL 12 17.294 5.194 -3.859 82 HG13 VAL 12 3HG1 VAL 12 16.620 3.762 -3.075 83 HG21 VAL 12 3HG2 VAL 12 16.911 7.492 -1.001 84 HG22 VAL 12 1HG2 VAL 12 17.209 7.342 -2.745 85 HG23 VAL 12 2HG2 VAL 12 15.548 7.191 -2.114 86 HA PRO 13 HA PRO 13 16.106 1.025 1.031 87 HB2 PRO 13 1HB PRO 13 13.949 -0.456 0.286 88 HB3 PRO 13 2HB PRO 13 13.859 0.721 1.636 89 HG2 PRO 13 1HG PRO 13 13.064 1.164 -1.265 90 HG3 PRO 13 2HG PRO 13 12.071 1.449 0.184 91 HD2 PRO 13 1HD PRO 13 13.486 3.422 -1.030 92 HD3 PRO 13 2HD PRO 13 13.331 3.371 0.751 93 H ASP 14 H ASP 14 16.501 -1.226 -0.154 94 HA ASP 14 HA ASP 14 16.215 -1.019 -3.044 95 HB2 ASP 14 1HB ASP 14 18.655 -0.636 -2.246 96 HB3 ASP 14 2HB ASP 14 18.649 -2.354 -1.833 97 H VAL 15 H VAL 15 15.329 -2.741 -3.744 98 HA VAL 15 HA VAL 15 14.054 -4.675 -2.027 99 HB VAL 15 HB VAL 15 14.400 -5.518 -4.831 100 HG11 VAL 15 1HG1 VAL 15 12.521 -6.454 -4.920 101 HG12 VAL 15 2HG1 VAL 15 12.970 -6.704 -3.261 102 HG13 VAL 15 3HG1 VAL 15 11.767 -5.462 -3.675 103 HG21 VAL 15 3HG2 VAL 15 12.942 -2.950 -4.365 104 HG22 VAL 15 1HG2 VAL 15 14.434 -3.301 -5.329 105 HG23 VAL 15 2HG2 VAL 15 12.889 -3.963 -5.882 106 H SER 16 H SER 16 17.180 -4.361 -3.701 107 HA SER 16 HA SER 16 17.465 -7.031 -4.190 108 HB2 SER 16 1HB SER 16 19.951 -6.555 -4.118 109 HB3 SER 16 2HB SER 16 18.971 -5.522 -5.187 110 HG SER 16 HG SER 16 20.315 -4.187 -4.076 111 H THR 17 H THR 17 18.144 -5.075 -1.377 112 HA THR 17 HA THR 17 19.137 -7.221 0.345 113 HB THR 17 HB THR 17 19.650 -5.541 1.916 114 HG1 THR 17 1HG THR 17 17.548 -4.190 0.867 115 HG21 THR 17 3HG2 THR 17 20.992 -5.526 -0.254 116 HG22 THR 17 1HG2 THR 17 21.055 -4.036 0.732 117 HG23 THR 17 2HG2 THR 17 20.054 -4.102 -0.738 118 H TYR 18 H TYR 18 16.103 -7.149 -0.681 119 HA TYR 18 HA TYR 18 14.747 -7.135 1.937 120 HB2 TYR 18 1HB TYR 18 13.877 -7.837 -0.875 121 HB3 TYR 18 2HB TYR 18 12.888 -8.136 0.487 122 HD1 TYR 18 1HD TYR 18 14.468 -5.133 1.452 123 HD2 TYR 18 2HD TYR 18 11.634 -6.650 -1.408 124 HE1 TYR 18 1HE TYR 18 13.615 -2.874 1.114 125 HE2 TYR 18 2HE TYR 18 11.074 -4.341 -2.044 126 HH TYR 18 HH TYR 18 11.352 -1.858 0.173 127 H GLN 19 H GLN 19 13.580 -9.073 2.573 128 HA GLN 19 HA GLN 19 15.389 -11.467 2.448 129 HB2 GLN 19 1HB GLN 19 13.427 -10.489 4.566 130 HB3 GLN 19 2HB GLN 19 14.159 -12.088 4.565 131 HG2 GLN 19 1HG GLN 19 16.433 -11.026 4.580 132 HG3 GLN 19 2HG GLN 19 15.664 -9.452 4.770 133 HE21 GLN 19 1HE2 GLN 19 13.517 -10.994 6.618 134 HE22 GLN 19 2HE2 GLN 19 14.391 -11.071 8.126 135 H TYR 20 H TYR 20 14.662 -12.919 0.998 136 HA TYR 20 HA TYR 20 11.973 -13.008 -0.045 137 HB2 TYR 20 1HB TYR 20 14.004 -13.717 -1.308 138 HB3 TYR 20 2HB TYR 20 14.244 -15.032 -0.174 139 HD1 TYR 20 1HD TYR 20 11.601 -13.633 -2.472 140 HD2 TYR 20 2HD TYR 20 13.297 -17.181 -0.664 141 HE1 TYR 20 1HE TYR 20 10.103 -15.089 -3.846 142 HE2 TYR 20 2HE TYR 20 11.855 -18.582 -2.093 143 HH TYR 20 HH TYR 20 10.373 -18.228 -4.494 144 H ASP 21 H ASP 21 10.392 -14.644 0.316 145 HA ASP 21 HA ASP 21 10.865 -16.623 2.497 146 HB2 ASP 21 1HB ASP 21 8.577 -14.703 2.144 147 HB3 ASP 21 2HB ASP 21 8.138 -16.314 2.549 148 H GLU 22 H GLU 22 11.221 -18.340 1.270 149 HA GLU 22 HA GLU 22 9.756 -19.018 -1.109 150 HB2 GLU 22 1HB GLU 22 10.400 -21.395 -0.544 151 HB3 GLU 22 2HB GLU 22 11.715 -20.266 -0.853 152 HG2 GLU 22 1HG GLU 22 12.503 -20.302 1.261 153 HG3 GLU 22 2HG GLU 22 10.938 -20.703 1.999 154 H THR 23 H THR 23 8.952 -19.282 2.251 155 HA THR 23 HA THR 23 6.922 -21.287 2.064 156 HB THR 23 HB THR 23 8.024 -20.596 4.146 157 HG1 THR 23 1HG THR 23 5.243 -20.545 3.882 158 HG21 THR 23 3HG2 THR 23 8.014 -18.147 3.852 159 HG22 THR 23 1HG2 THR 23 7.303 -18.617 5.392 160 HG23 THR 23 2HG2 THR 23 6.270 -18.102 4.047 161 H SER 24 H SER 24 6.858 -18.315 0.657 162 HA SER 24 HA SER 24 3.966 -18.582 0.191 163 HB2 SER 24 1HB SER 24 4.188 -16.951 2.079 164 HB3 SER 24 2HB SER 24 5.105 -15.876 1.006 165 HG SER 24 HG SER 24 2.642 -15.717 1.258 166 H GLY 25 H GLY 25 6.994 -16.822 -0.574 167 HA2 GLY 25 1HA GLY 25 7.923 -16.935 -2.752 168 HA3 GLY 25 2HA GLY 25 6.314 -16.928 -3.477 169 H TYR 26 H TYR 26 7.805 -14.775 -0.928 170 HA TYR 26 HA TYR 26 7.432 -12.452 -2.756 171 HB2 TYR 26 1HB TYR 26 6.336 -12.726 0.090 172 HB3 TYR 26 2HB TYR 26 6.472 -11.187 -0.758 173 HD1 TYR 26 2HD TYR 26 5.385 -10.946 -3.065 174 HD2 TYR 26 1HD TYR 26 4.353 -14.043 -0.247 175 HE1 TYR 26 2HE TYR 26 3.373 -11.457 -4.371 176 HE2 TYR 26 1HE TYR 26 2.315 -14.554 -1.536 177 HH TYR 26 HH TYR 26 1.608 -12.834 -4.625 178 H TYR 27 H TYR 27 8.377 -10.417 -1.677 179 HA TYR 27 HA TYR 27 10.897 -11.094 -0.245 180 HB2 TYR 27 1HB TYR 27 10.260 -8.913 -2.283 181 HB3 TYR 27 2HB TYR 27 11.673 -8.899 -1.251 182 HD1 TYR 27 1HD TYR 27 13.515 -10.531 -1.479 183 HD2 TYR 27 2HD TYR 27 10.144 -10.476 -4.169 184 HE1 TYR 27 1HE TYR 27 14.733 -12.010 -2.999 185 HE2 TYR 27 2HE TYR 27 11.373 -12.003 -5.727 186 HH TYR 27 HH TYR 27 14.666 -13.188 -4.920 187 H TYR 28 H TYR 28 10.895 -10.298 1.811 188 HA TYR 28 HA TYR 28 8.796 -8.457 2.705 189 HB2 TYR 28 1HB TYR 28 9.373 -10.439 4.038 190 HB3 TYR 28 2HB TYR 28 11.067 -9.965 4.061 191 HD1 TYR 28 2HD TYR 28 7.799 -8.219 4.781 192 HD2 TYR 28 1HD TYR 28 11.774 -9.206 6.137 193 HE1 TYR 28 2HE TYR 28 7.392 -6.957 6.860 194 HE2 TYR 28 1HE TYR 28 11.411 -7.880 8.194 195 HH TYR 28 HH TYR 28 9.813 -5.907 8.909 196 H ASP 29 H ASP 29 9.198 -6.348 3.387 197 HA ASP 29 HA ASP 29 11.776 -5.098 2.661 198 HB2 ASP 29 1HB ASP 29 9.811 -4.234 1.593 199 HB3 ASP 29 2HB ASP 29 9.072 -3.830 3.139 200 HA PRO 30 HA PRO 30 11.898 -5.208 7.290 201 HB2 PRO 30 1HB PRO 30 14.619 -5.392 7.520 202 HB3 PRO 30 2HB PRO 30 13.525 -6.806 7.278 203 HG2 PRO 30 1HG PRO 30 15.130 -5.283 5.243 204 HG3 PRO 30 2HG PRO 30 15.045 -7.065 5.441 205 HD2 PRO 30 1HD PRO 30 13.549 -5.758 3.599 206 HD3 PRO 30 2HD PRO 30 12.860 -7.111 4.552 207 H GLN 31 H GLN 31 12.796 -3.023 4.888 208 HA GLN 31 HA GLN 31 14.320 -1.208 6.618 209 HB2 GLN 31 1HB GLN 31 12.979 -0.467 3.993 210 HB3 GLN 31 2HB GLN 31 14.196 0.437 4.833 211 HG2 GLN 31 1HG GLN 31 15.068 -2.309 4.076 212 HG3 GLN 31 2HG GLN 31 14.589 -1.315 2.718 213 HE21 GLN 31 1HE2 GLN 31 17.298 -2.377 3.816 214 HE22 GLN 31 2HE2 GLN 31 18.297 -0.941 3.724 215 H THR 32 H THR 32 11.000 -1.873 5.616 216 HA THR 32 HA THR 32 10.020 0.372 7.319 217 HB THR 32 HB THR 32 8.295 0.669 5.482 218 HG1 THR 32 1HG THR 32 10.203 -0.807 3.953 219 HG21 THR 32 3HG2 THR 32 10.233 2.251 5.895 220 HG22 THR 32 1HG2 THR 32 9.661 2.216 4.231 221 HG23 THR 32 2HG2 THR 32 11.149 1.371 4.655 222 H GLY 33 H GLY 33 9.387 -2.921 6.175 223 HA2 GLY 33 1HA GLY 33 8.213 -4.397 7.668 224 HA3 GLY 33 2HA GLY 33 7.170 -3.060 8.176 225 H LEU 34 H LEU 34 7.791 -3.136 4.820 226 HA LEU 34 HA LEU 34 5.007 -3.992 4.192 227 HB2 LEU 34 1HB LEU 34 7.171 -2.531 2.621 228 HB3 LEU 34 2HB LEU 34 5.595 -2.954 1.960 229 HG LEU 34 HG LEU 34 5.778 -1.284 4.510 230 HD11 LEU 34 1HD1 LEU 34 5.467 0.705 2.868 231 HD12 LEU 34 2HD1 LEU 34 6.268 -0.393 1.684 232 HD13 LEU 34 3HD1 LEU 34 7.073 0.061 3.165 233 HD21 LEU 34 3HD2 LEU 34 3.604 -2.212 3.961 234 HD22 LEU 34 1HD2 LEU 34 3.685 -1.546 2.315 235 HD23 LEU 34 2HD2 LEU 34 3.586 -0.467 3.735 236 H TYR 35 H TYR 35 5.011 -5.220 1.892 237 HA TYR 35 HA TYR 35 7.424 -6.927 1.557 238 HB2 TYR 35 1HB TYR 35 4.502 -7.716 1.326 239 HB3 TYR 35 2HB TYR 35 5.763 -8.602 0.508 240 HD1 TYR 35 2HD TYR 35 4.530 -7.626 3.889 241 HD2 TYR 35 1HD TYR 35 7.066 -10.306 1.607 242 HE1 TYR 35 2HE TYR 35 4.701 -9.158 5.839 243 HE2 TYR 35 1HE TYR 35 7.227 -11.786 3.514 244 HH TYR 35 HH TYR 35 6.374 -12.329 5.494 245 H TYR 36 H TYR 36 7.449 -7.740 -0.747 246 HA TYR 36 HA TYR 36 6.317 -5.962 -2.811 247 HB2 TYR 36 1HB TYR 36 8.480 -4.998 -2.190 248 HB3 TYR 36 2HB TYR 36 9.240 -6.565 -2.211 249 HD1 TYR 36 2HD TYR 36 7.857 -3.851 -4.333 250 HD2 TYR 36 1HD TYR 36 10.120 -7.519 -4.228 251 HE1 TYR 36 2HE TYR 36 8.649 -3.428 -6.643 252 HE2 TYR 36 1HE TYR 36 10.996 -7.058 -6.479 253 HH TYR 36 HH TYR 36 10.585 -5.851 -8.440 254 H ASP 37 H ASP 37 6.628 -7.005 -4.981 255 HA ASP 37 HA ASP 37 7.056 -9.931 -4.909 256 HB2 ASP 37 1HB ASP 37 4.615 -9.564 -4.965 257 HB3 ASP 37 2HB ASP 37 4.838 -8.457 -6.321 258 HA PRO 38 HA PRO 38 9.729 -8.531 -8.041 259 HB2 PRO 38 1HB PRO 38 10.383 -10.851 -9.405 260 HB3 PRO 38 2HB PRO 38 10.912 -10.510 -7.731 261 HG2 PRO 38 1HG PRO 38 8.482 -12.116 -8.635 262 HG3 PRO 38 2HG PRO 38 9.731 -12.597 -7.440 263 HD2 PRO 38 1HD PRO 38 7.397 -11.559 -6.659 264 HD3 PRO 38 2HD PRO 38 8.898 -11.076 -5.841 265 H ASN 39 H ASN 39 6.881 -10.359 -9.237 266 HA ASN 39 HA ASN 39 7.280 -9.273 -11.971 267 HB2 ASN 39 1HB ASN 39 5.638 -11.456 -10.771 268 HB3 ASN 39 2HB ASN 39 4.793 -10.459 -11.947 269 HD21 ASN 39 1HD2 ASN 39 7.180 -12.967 -11.603 270 HD22 ASN 39 2HD2 ASN 39 7.742 -12.925 -13.255 271 H SER 40 H SER 40 5.645 -8.574 -8.974 272 HA SER 40 HA SER 40 3.920 -6.538 -10.307 273 HB2 SER 40 1HB SER 40 2.719 -8.536 -9.743 274 HB3 SER 40 2HB SER 40 3.317 -8.486 -8.072 275 HG SER 40 HG SER 40 1.823 -7.264 -7.565 276 H GLN 41 H GLN 41 5.382 -4.942 -9.966 277 HA GLN 41 HA GLN 41 6.822 -4.329 -7.669 278 HB2 GLN 41 1HB GLN 41 5.786 -2.604 -9.928 279 HB3 GLN 41 2HB GLN 41 6.631 -1.898 -8.552 280 HG2 GLN 41 1HG GLN 41 8.223 -2.182 -10.230 281 HG3 GLN 41 2HG GLN 41 8.597 -3.293 -8.942 282 HE21 GLN 41 1HE2 GLN 41 8.309 -5.598 -9.354 283 HE22 GLN 41 2HE2 GLN 41 8.301 -6.209 -10.980 284 H TYR 42 H TYR 42 3.455 -4.314 -7.788 285 HA TYR 42 HA TYR 42 2.843 -2.184 -5.969 286 HB2 TYR 42 1HB TYR 42 1.260 -4.725 -6.469 287 HB3 TYR 42 2HB TYR 42 0.667 -3.184 -5.841 288 HD1 TYR 42 1HD TYR 42 1.654 -1.138 -7.611 289 HD2 TYR 42 2HD TYR 42 0.398 -5.156 -8.607 290 HE1 TYR 42 1HE TYR 42 1.369 -0.441 -9.895 291 HE2 TYR 42 2HE TYR 42 -0.044 -4.450 -10.907 292 HH TYR 42 HH TYR 42 -0.016 -2.739 -12.411 293 H TYR 43 H TYR 43 3.684 -2.124 -4.062 294 HA TYR 43 HA TYR 43 4.784 -4.305 -2.499 295 HB2 TYR 43 1HB TYR 43 4.064 -1.403 -1.965 296 HB3 TYR 43 2HB TYR 43 4.565 -2.474 -0.672 297 HD1 TYR 43 1HD TYR 43 5.779 -1.286 -4.057 298 HD2 TYR 43 2HD TYR 43 6.835 -2.694 -0.116 299 HE1 TYR 43 1HE TYR 43 8.137 -0.824 -4.527 300 HE2 TYR 43 2HE TYR 43 9.187 -2.211 -0.561 301 HH TYR 43 HH TYR 43 10.764 -1.457 -2.165 302 H TYR 44 H TYR 44 3.900 -5.025 -0.512 303 HA TYR 44 HA TYR 44 0.922 -4.915 -0.335 304 HB2 TYR 44 1HB TYR 44 1.607 -7.105 -1.040 305 HB3 TYR 44 2HB TYR 44 2.817 -7.200 0.206 306 HD1 TYR 44 2HD TYR 44 -0.880 -6.850 -0.305 307 HD2 TYR 44 1HD TYR 44 2.283 -8.121 2.342 308 HE1 TYR 44 2HE TYR 44 -2.553 -7.938 1.164 309 HE2 TYR 44 1HE TYR 44 0.604 -9.217 3.812 310 HH TYR 44 HH TYR 44 -2.522 -9.831 2.809 311 H ASN 45 H ASN 45 0.184 -4.073 1.387 312 HA ASN 45 HA ASN 45 1.867 -3.430 3.758 313 HB2 ASN 45 1HB ASN 45 0.809 -1.496 2.690 314 HB3 ASN 45 2HB ASN 45 -0.759 -2.338 2.706 315 HD21 ASN 45 1HD2 ASN 45 -1.988 -1.236 4.096 316 HD22 ASN 45 2HD2 ASN 45 -1.559 -0.921 5.780 317 H ALA 46 H ALA 46 1.764 -5.598 4.519 318 HA ALA 46 HA ALA 46 -0.529 -7.167 5.006 319 HB1 ALA 46 1HB ALA 46 1.945 -6.867 6.748 320 HB2 ALA 46 2HB ALA 46 0.851 -8.255 6.710 321 HB3 ALA 46 3HB ALA 46 1.868 -7.894 5.297 322 H GLN 47 H GLN 47 0.684 -4.291 6.721 323 HA GLN 47 HA GLN 47 -0.592 -4.474 9.126 324 HB2 GLN 47 1HB GLN 47 0.921 -2.629 7.771 325 HB3 GLN 47 2HB GLN 47 -0.648 -1.796 7.798 326 HG2 GLN 47 1HG GLN 47 -0.703 -2.111 10.250 327 HG3 GLN 47 2HG GLN 47 0.819 -3.036 10.126 328 HE21 GLN 47 1HE2 GLN 47 -0.186 0.138 8.623 329 HE22 GLN 47 2HE2 GLN 47 1.194 1.024 9.265 330 H SER 48 H SER 48 -2.032 -3.426 6.003 331 HA SER 48 HA SER 48 -4.732 -3.585 7.234 332 HB2 SER 48 1HB SER 48 -3.856 -1.681 5.036 333 HB3 SER 48 2HB SER 48 -5.412 -1.735 5.839 334 HG SER 48 HG SER 48 -4.655 -0.747 7.495 335 H GLN 49 H GLN 49 -2.897 -5.427 5.509 336 HA GLN 49 HA GLN 49 -2.817 -6.680 3.695 337 HB2 GLN 49 1HB GLN 49 -5.862 -6.700 3.781 338 HB3 GLN 49 2HB GLN 49 -4.784 -7.980 3.201 339 HG2 GLN 49 1HG GLN 49 -3.859 -8.135 5.555 340 HG3 GLN 49 2HG GLN 49 -5.134 -7.046 6.089 341 HE21 GLN 49 1HE2 GLN 49 -4.397 -10.106 6.285 342 HE22 GLN 49 2HE2 GLN 49 -5.940 -10.880 5.994 343 H GLN 50 H GLN 50 -3.039 -3.776 3.164 344 HA GLN 50 HA GLN 50 -4.583 -3.626 0.666 345 HB2 GLN 50 1HB GLN 50 -4.192 -1.856 2.809 346 HB3 GLN 50 2HB GLN 50 -3.193 -1.183 1.532 347 HG2 GLN 50 1HG GLN 50 -5.426 -0.222 1.511 348 HG3 GLN 50 2HG GLN 50 -5.134 -1.123 0.024 349 HE21 GLN 50 1HE2 GLN 50 -5.937 -3.297 2.757 350 HE22 GLN 50 2HE2 GLN 50 -7.523 -3.574 2.138 351 H TYR 51 H TYR 51 -3.607 -2.688 -1.313 352 HA TYR 51 HA TYR 51 -0.725 -3.401 -1.575 353 HB2 TYR 51 1HB TYR 51 -3.003 -2.970 -3.542 354 HB3 TYR 51 2HB TYR 51 -1.331 -2.914 -4.047 355 HD1 TYR 51 2HD TYR 51 -2.841 -5.415 -1.582 356 HD2 TYR 51 1HD TYR 51 -1.189 -4.702 -5.517 357 HE1 TYR 51 2HE TYR 51 -2.830 -7.828 -2.021 358 HE2 TYR 51 1HE TYR 51 -1.202 -7.119 -5.957 359 HH TYR 51 HH TYR 51 -2.216 -9.129 -5.289 360 H LEU 52 H LEU 52 0.758 -1.941 -2.407 361 HA LEU 52 HA LEU 52 0.025 0.902 -2.585 362 HB2 LEU 52 1HB LEU 52 2.221 -0.181 -0.820 363 HB3 LEU 52 2HB LEU 52 1.932 1.517 -1.117 364 HG LEU 52 HG LEU 52 0.077 -0.354 0.424 365 HD11 LEU 52 1HD1 LEU 52 1.927 1.873 1.324 366 HD12 LEU 52 2HD1 LEU 52 2.195 0.125 1.536 367 HD13 LEU 52 3HD1 LEU 52 0.843 0.914 2.367 368 HD21 LEU 52 3HD2 LEU 52 -0.114 2.647 -0.099 369 HD22 LEU 52 1HD2 LEU 52 -0.945 1.837 1.241 370 HD23 LEU 52 2HD2 LEU 52 -1.347 1.387 -0.388 371 H TYR 53 H TYR 53 2.353 2.035 -3.192 372 HA TYR 53 HA TYR 53 4.169 0.221 -4.570 373 HB2 TYR 53 1HB TYR 53 4.211 1.433 -6.630 374 HB3 TYR 53 2HB TYR 53 2.603 0.871 -6.349 375 HD1 TYR 53 2HD TYR 53 0.884 2.633 -5.368 376 HD2 TYR 53 1HD TYR 53 4.622 3.673 -7.249 377 HE1 TYR 53 2HE TYR 53 -0.062 4.807 -5.998 378 HE2 TYR 53 1HE TYR 53 3.696 5.861 -7.883 379 HH TYR 53 HH TYR 53 1.797 7.290 -7.817 380 H TRP 54 H TRP 54 6.274 1.216 -4.811 381 HA TRP 54 HA TRP 54 6.789 3.490 -2.949 382 HB2 TRP 54 1HB TRP 54 8.360 1.684 -2.584 383 HB3 TRP 54 2HB TRP 54 8.584 1.432 -4.292 384 HD1 TRP 54 HD TRP 54 10.523 2.586 -5.457 385 HE1 TRP 54 1HE TRP 54 12.156 4.406 -4.960 386 HE3 TRP 54 3HE TRP 54 8.510 4.181 -1.040 387 HZ2 TRP 54 2HZ TRP 54 12.676 6.316 -2.742 388 HZ3 TRP 54 3HZ TRP 54 9.543 6.001 0.230 389 HH2 TRP 54 HH TRP 54 11.665 7.067 -0.590 390 H ASP 55 H ASP 55 7.407 5.461 -3.842 391 HA ASP 55 HA ASP 55 7.583 5.617 -6.809 392 HB2 ASP 55 1HB ASP 55 5.321 6.232 -6.253 393 HB3 ASP 55 2HB ASP 55 5.858 7.212 -4.884 394 H GLY 56 H GLY 56 9.555 6.413 -7.274 395 HA2 GLY 56 1HA GLY 56 11.118 7.966 -5.404 396 HA3 GLY 56 2HA GLY 56 11.512 7.549 -7.074 397 H GLU 57 H GLU 57 8.536 8.874 -7.616 398 HA GLU 57 HA GLU 57 9.640 11.426 -8.434 399 HB2 GLU 57 1HB GLU 57 6.718 10.636 -8.194 400 HB3 GLU 57 2HB GLU 57 7.375 11.995 -9.067 401 HG2 GLU 57 1HG GLU 57 8.550 9.435 -9.998 402 HG3 GLU 57 2HG GLU 57 6.795 9.436 -10.077 403 H ARG 58 H ARG 58 7.672 10.221 -5.740 404 HA ARG 58 HA ARG 58 7.963 12.853 -4.346 405 HB2 ARG 58 1HB ARG 58 5.886 10.654 -4.126 406 HB3 ARG 58 2HB ARG 58 5.895 12.121 -3.146 407 HG2 ARG 58 1HG ARG 58 5.572 13.527 -5.121 408 HG3 ARG 58 2HG ARG 58 5.734 12.135 -6.208 409 HD2 ARG 58 1HD ARG 58 3.735 11.194 -5.625 410 HD3 ARG 58 2HD ARG 58 3.656 11.973 -4.043 411 HE ARG 58 HE ARG 58 2.595 13.755 -4.920 412 HH11 ARG 58 1HH1 ARG 58 3.410 11.506 -7.592 413 HH12 ARG 58 2HH1 ARG 58 2.166 12.132 -8.595 414 HH21 ARG 58 1HH2 ARG 58 1.142 14.706 -6.405 415 HH22 ARG 58 2HH2 ARG 58 0.865 13.907 -7.913 416 H ARG 59 H ARG 59 9.203 9.714 -4.205 417 HA ARG 59 HA ARG 59 10.283 8.443 -2.720 418 HB2 ARG 59 1HB ARG 59 10.884 11.011 -1.212 419 HB3 ARG 59 2HB ARG 59 11.700 9.468 -0.997 420 HG2 ARG 59 1HG ARG 59 12.604 9.548 -3.272 421 HG3 ARG 59 2HG ARG 59 11.709 11.032 -3.604 422 HD2 ARG 59 1HD ARG 59 13.495 12.189 -2.914 423 HD3 ARG 59 2HD ARG 59 13.062 11.726 -1.286 424 HE ARG 59 HE ARG 59 14.726 10.118 -1.235 425 HH11 ARG 59 1HH1 ARG 59 14.710 11.723 -4.458 426 HH12 ARG 59 2HH1 ARG 59 16.338 11.260 -4.770 427 HH21 ARG 59 1HH2 ARG 59 16.848 9.438 -1.850 428 HH22 ARG 59 2HH2 ARG 59 17.512 9.904 -3.382 429 H THR 60 H THR 60 7.676 8.064 -2.448 430 HA THR 60 HA THR 60 7.398 7.726 0.415 431 HB THR 60 HB THR 60 6.555 10.089 -0.213 432 HG1 THR 60 1HG THR 60 5.937 9.648 1.662 433 HG21 THR 60 3HG2 THR 60 4.120 8.553 -1.183 434 HG22 THR 60 1HG2 THR 60 5.267 9.398 -2.237 435 HG23 THR 60 2HG2 THR 60 4.310 10.313 -1.059 436 H TYR 61 H TYR 61 5.167 6.584 0.756 437 HA TYR 61 HA TYR 61 4.922 4.443 -1.314 438 HB2 TYR 61 1HB TYR 61 4.515 4.270 1.692 439 HB3 TYR 61 2HB TYR 61 4.196 2.986 0.542 440 HD1 TYR 61 1HD TYR 61 6.132 1.931 -0.751 441 HD2 TYR 61 2HD TYR 61 6.781 4.726 2.471 442 HE1 TYR 61 1HE TYR 61 8.327 0.876 -0.286 443 HE2 TYR 61 2HE TYR 61 9.030 3.785 2.826 444 HH TYR 61 HH TYR 61 10.011 0.668 1.460 445 H VAL 62 H VAL 62 3.015 4.402 -2.341 446 HA VAL 62 HA VAL 62 0.668 5.805 -1.182 447 HB VAL 62 HB VAL 62 0.412 6.353 -3.814 448 HG11 VAL 62 1HG1 VAL 62 1.977 7.980 -1.765 449 HG12 VAL 62 2HG1 VAL 62 1.260 8.599 -3.271 450 HG13 VAL 62 3HG1 VAL 62 0.211 7.969 -2.006 451 HG21 VAL 62 3HG2 VAL 62 3.413 6.693 -3.394 452 HG22 VAL 62 1HG2 VAL 62 2.710 5.360 -4.325 453 HG23 VAL 62 2HG2 VAL 62 2.415 7.018 -4.844 454 HA PRO 63 HA PRO 63 -1.589 2.286 -2.201 455 HB2 PRO 63 1HB PRO 63 -4.127 3.149 -2.746 456 HB3 PRO 63 2HB PRO 63 -3.370 3.241 -1.120 457 HG2 PRO 63 1HG PRO 63 -3.588 5.443 -3.192 458 HG3 PRO 63 2HG PRO 63 -3.951 5.519 -1.437 459 HD2 PRO 63 1HD PRO 63 -1.566 6.352 -2.458 460 HD3 PRO 63 2HD PRO 63 -1.675 5.540 -0.865 461 H ALA 64 H ALA 64 -1.304 0.997 -3.950 462 HA ALA 64 HA ALA 64 -1.444 2.147 -6.649 463 HB1 ALA 64 1HB ALA 64 -0.800 -0.714 -5.826 464 HB2 ALA 64 2HB ALA 64 -0.475 0.054 -7.410 465 HB3 ALA 64 3HB ALA 64 0.401 0.587 -5.975 466 H LEU 65 H LEU 65 -3.893 1.881 -5.032 467 HA LEU 65 HA LEU 65 -5.508 -0.122 -6.473 468 HB2 LEU 65 1HB LEU 65 -6.166 1.845 -4.238 469 HB3 LEU 65 2HB LEU 65 -7.343 0.833 -5.082 470 HG LEU 65 HG LEU 65 -5.950 -1.183 -4.475 471 HD11 LEU 65 1HD1 LEU 65 -3.836 -0.409 -3.807 472 HD12 LEU 65 2HD1 LEU 65 -4.602 -0.889 -2.312 473 HD13 LEU 65 3HD1 LEU 65 -4.525 0.834 -2.736 474 HD21 LEU 65 3HD2 LEU 65 -8.048 -0.576 -3.331 475 HD22 LEU 65 1HD2 LEU 65 -7.122 0.391 -2.167 476 HD23 LEU 65 2HD2 LEU 65 -6.919 -1.359 -2.218 477 H GLU 66 H GLU 66 -5.172 3.437 -6.149 478 HA GLU 66 HA GLU 66 -7.345 4.231 -7.667 479 HB2 GLU 66 1HB GLU 66 -6.463 6.324 -7.381 480 HB3 GLU 66 2HB GLU 66 -5.331 5.442 -6.336 481 HG2 GLU 66 1HG GLU 66 -3.566 5.504 -7.859 482 HG3 GLU 66 2HG GLU 66 -4.606 6.037 -9.192 483 H GLN 67 H GLN 67 -4.109 3.564 -8.623 484 HA GLN 67 HA GLN 67 -4.528 3.864 -11.426 485 HB2 GLN 67 1HB GLN 67 -2.182 3.509 -11.681 486 HB3 GLN 67 2HB GLN 67 -2.412 4.453 -10.225 487 HG2 GLN 67 1HG GLN 67 -1.249 2.949 -9.029 488 HG3 GLN 67 2HG GLN 67 -2.379 1.672 -9.415 489 HE21 GLN 67 1HE2 GLN 67 -2.000 0.839 -11.995 490 HE22 GLN 67 2HE2 GLN 67 -0.313 0.506 -12.256 491 H SER 68 H SER 68 -5.488 1.387 -9.639 492 HA SER 68 HA SER 68 -4.477 -0.822 -11.316 493 HB2 SER 68 1HB SER 68 -5.206 -0.539 -8.579 494 HB3 SER 68 2HB SER 68 -6.338 -1.694 -9.264 495 HG SER 68 HG SER 68 -3.488 -1.764 -9.446 496 H ALA 69 H ALA 69 -6.768 1.275 -12.018 497 HA ALA 69 HA ALA 69 -8.788 1.305 -13.034 498 HB1 ALA 69 1HB ALA 69 -7.896 -1.351 -14.212 499 HB2 ALA 69 2HB ALA 69 -9.126 -0.253 -14.863 500 HB3 ALA 69 3HB ALA 69 -7.426 0.248 -14.819 501 H ASP 70 H ASP 70 -9.480 1.083 -10.735 502 HA ASP 70 HA ASP 70 -11.099 -1.092 -9.826 503 HB2 ASP 70 1HB ASP 70 -10.745 1.823 -9.293 504 HB3 ASP 70 2HB ASP 70 -12.410 1.292 -9.133 505 H GLY 71 H GLY 71 -11.475 1.492 -12.176 506 HA2 GLY 71 1HA GLY 71 -13.008 1.756 -13.912 507 HA3 GLY 71 2HA GLY 71 -13.823 0.258 -13.410 508 H HIS 72 H HIS 72 -15.066 0.331 -11.415 509 HA HIS 72 HA HIS 72 -16.083 2.823 -10.351 510 HB2 HIS 72 1HB HIS 72 -18.335 2.664 -11.156 511 HB3 HIS 72 2HB HIS 72 -17.220 2.826 -12.493 512 HD1 HIS 72 1HD HIS 72 -20.028 1.771 -13.100 513 HD2 HIS 72 2HD HIS 72 -16.813 -0.658 -11.953 514 HE1 HIS 72 1HE HIS 72 -20.566 -0.569 -13.989 515 H LYS 73 H LYS 73 -14.837 0.538 -9.207 516 HA LYS 73 HA LYS 73 -17.074 -0.801 -7.763 517 HB2 LYS 73 1HB LYS 73 -14.448 -1.949 -8.766 518 HB3 LYS 73 2HB LYS 73 -15.334 -2.678 -7.422 519 HG2 LYS 73 1HG LYS 73 -17.417 -2.693 -8.801 520 HG3 LYS 73 2HG LYS 73 -16.475 -2.183 -10.207 521 HD2 LYS 73 1HD LYS 73 -15.821 -4.643 -8.556 522 HD3 LYS 73 2HD LYS 73 -16.978 -4.722 -9.874 523 HE2 LYS 73 1HE LYS 73 -14.240 -3.539 -10.375 524 HE3 LYS 73 2HE LYS 73 -14.395 -5.284 -10.238 525 HZ1 LYS 73 3HZ LYS 73 -15.835 -5.364 -12.070 526 HZ2 LYS 73 1HZ LYS 73 -14.590 -4.368 -12.495 527 HZ3 LYS 73 2HZ LYS 73 -16.069 -3.746 -12.110 528 H GLU 74 H GLU 74 -15.542 -1.903 -5.740 529 HA GLU 74 HA GLU 74 -14.493 0.262 -4.148 530 HB2 GLU 74 1HB GLU 74 -17.014 -1.224 -3.278 531 HB3 GLU 74 2HB GLU 74 -16.101 -0.021 -2.363 532 HG2 GLU 74 1HG GLU 74 -16.748 1.724 -3.995 533 HG3 GLU 74 2HG GLU 74 -17.681 0.522 -4.908 534 H THR 75 H THR 75 -13.811 -0.790 -1.990 535 HA THR 75 HA THR 75 -12.376 -3.067 -2.030 536 HB THR 75 HB THR 75 -13.405 -2.780 0.614 537 HG1 THR 75 1HG THR 75 -14.510 -0.930 0.088 538 HG21 THR 75 3HG2 THR 75 -11.013 -3.003 -0.065 539 HG22 THR 75 1HG2 THR 75 -11.302 -1.711 1.119 540 HG23 THR 75 2HG2 THR 75 -11.048 -1.302 -0.589 541 H GLY 76 H GLY 76 -15.607 -3.496 -2.603 542 HA2 GLY 76 1HA GLY 76 -15.986 -6.102 -1.646 543 HA3 GLY 76 2HA GLY 76 -16.465 -4.966 -0.360 544 H ALA 77 H ALA 77 -18.662 -5.747 -0.645 545 HA ALA 77 HA ALA 77 -20.149 -4.435 -2.827 546 HB1 ALA 77 1HB ALA 77 -21.580 -6.527 -2.992 547 HB2 ALA 77 2HB ALA 77 -19.925 -6.744 -3.582 548 HB3 ALA 77 3HB ALA 77 -20.394 -7.363 -1.980 549 HA PRO 78 HA PRO 78 -22.640 -3.151 0.547 550 HB2 PRO 78 1HB PRO 78 -25.251 -3.231 -0.421 551 HB3 PRO 78 2HB PRO 78 -24.052 -1.977 -0.833 552 HG2 PRO 78 1HG PRO 78 -24.760 -4.462 -2.408 553 HG3 PRO 78 2HG PRO 78 -24.553 -2.781 -3.005 554 HD2 PRO 78 1HD PRO 78 -22.564 -4.583 -3.246 555 HD3 PRO 78 2HD PRO 78 -22.195 -2.898 -2.780 556 H SER 79 H SER 79 -23.376 -4.056 2.346 557 HA SER 79 HA SER 79 -24.119 -5.534 3.889 558 HB2 SER 79 1HB SER 79 -25.842 -6.669 1.649 559 HB3 SER 79 2HB SER 79 -26.034 -6.995 3.374 560 HG SER 79 HG SER 79 -27.406 -5.415 2.599 561 H LYS 80 H LYS 80 -24.532 -8.161 4.117 562 HA LYS 80 HA LYS 80 -23.415 -10.111 4.358 563 HB2 LYS 80 1HB LYS 80 -24.463 -10.144 2.127 564 HB3 LYS 80 2HB LYS 80 -22.914 -9.742 1.392 565 HG2 LYS 80 1HG LYS 80 -21.982 -11.853 1.967 566 HG3 LYS 80 2HG LYS 80 -23.278 -12.185 3.142 567 HD2 LYS 80 1HD LYS 80 -24.884 -12.616 1.499 568 HD3 LYS 80 2HD LYS 80 -23.993 -11.745 0.230 569 HE2 LYS 80 1HE LYS 80 -22.359 -13.463 0.034 570 HE3 LYS 80 2HE LYS 80 -22.951 -14.310 1.466 571 HZ1 LYS 80 3HZ LYS 80 -23.648 -15.260 -0.669 572 HZ2 LYS 80 1HZ LYS 80 -24.587 -13.940 -0.968 573 HZ3 LYS 80 2HZ LYS 80 -24.909 -14.925 0.326 574 H GLU 81 H GLU 81 -22.040 -7.942 5.208 575 HA GLU 81 HA GLU 81 -19.259 -8.868 5.157 576 HB2 GLU 81 1HB GLU 81 -18.343 -6.703 4.659 577 HB3 GLU 81 2HB GLU 81 -19.350 -7.278 3.329 578 HG2 GLU 81 1HG GLU 81 -21.199 -5.783 4.053 579 HG3 GLU 81 2HG GLU 81 -20.249 -5.256 5.433 580 H GLY 82 H GLY 82 -21.506 -8.844 7.123 581 HA2 GLY 82 1HA GLY 82 -21.719 -8.539 9.385 582 HA3 GLY 82 2HA GLY 82 -20.194 -7.666 9.414 583 H LYS 83 H LYS 83 -21.475 -5.774 7.215 584 HA LYS 83 HA LYS 83 -22.887 -4.065 9.149 585 HB2 LYS 83 1HB LYS 83 -21.451 -3.409 6.567 586 HB3 LYS 83 2HB LYS 83 -22.535 -2.279 7.361 587 HG2 LYS 83 1HG LYS 83 -21.103 -2.851 9.537 588 HG3 LYS 83 2HG LYS 83 -19.878 -3.283 8.327 589 HD2 LYS 83 1HD LYS 83 -20.192 -1.028 7.292 590 HD3 LYS 83 2HD LYS 83 -21.398 -0.633 8.531 591 HE2 LYS 83 1HE LYS 83 -19.696 -0.868 10.293 592 HE3 LYS 83 2HE LYS 83 -18.495 -1.355 9.078 593 HZ1 LYS 83 3HZ LYS 83 -19.876 1.255 9.061 594 HZ2 LYS 83 1HZ LYS 83 -18.690 0.759 8.051 595 HZ3 LYS 83 2HZ LYS 83 -18.340 0.996 9.650 596 H GLU 84 H GLU 84 -24.053 -6.318 7.348 597 HA GLU 84 HA GLU 84 -25.939 -5.402 5.544 598 HB2 GLU 84 1HB GLU 84 -27.219 -7.463 6.206 599 HB3 GLU 84 2HB GLU 84 -25.507 -7.758 5.875 600 HG2 GLU 84 1HG GLU 84 -24.978 -7.901 8.237 601 HG3 GLU 84 2HG GLU 84 -26.571 -7.325 8.699 602 H LYS 85 H LYS 85 -26.080 -4.901 8.986 603 HA LYS 85 HA LYS 85 -28.647 -3.452 8.606 604 HB2 LYS 85 1HB LYS 85 -29.444 -4.272 10.805 605 HB3 LYS 85 2HB LYS 85 -29.363 -5.506 9.565 606 HG2 LYS 85 1HG LYS 85 -27.677 -6.691 10.572 607 HG3 LYS 85 2HG LYS 85 -26.919 -5.277 11.311 608 HD2 LYS 85 1HD LYS 85 -29.618 -6.326 12.236 609 HD3 LYS 85 2HD LYS 85 -28.079 -6.954 12.870 610 HE2 LYS 85 1HE LYS 85 -27.377 -4.766 13.616 611 HE3 LYS 85 2HE LYS 85 -28.753 -3.976 12.845 612 HZ1 LYS 85 3HZ LYS 85 -28.996 -5.953 15.018 613 HZ2 LYS 85 1HZ LYS 85 -30.204 -4.986 14.414 614 HZ3 LYS 85 2HZ LYS 85 -28.926 -4.340 15.260 615 H LYS 86 H LYS 86 -25.786 -2.582 8.724 616 HA LYS 86 HA LYS 86 -25.948 -0.773 11.087 617 HB2 LYS 86 1HB LYS 86 -23.895 -2.825 10.386 618 HB3 LYS 86 2HB LYS 86 -23.277 -1.335 11.058 619 HG2 LYS 86 1HG LYS 86 -25.540 -2.848 12.412 620 HG3 LYS 86 2HG LYS 86 -23.851 -3.279 12.640 621 HD2 LYS 86 1HD LYS 86 -23.319 -1.031 13.480 622 HD3 LYS 86 2HD LYS 86 -24.971 -0.488 13.183 623 HE2 LYS 86 1HE LYS 86 -24.528 -1.000 15.566 624 HE3 LYS 86 2HE LYS 86 -25.832 -1.990 14.904 625 HZ1 LYS 86 3HZ LYS 86 -24.215 -3.207 16.274 626 HZ2 LYS 86 1HZ LYS 86 -23.030 -2.912 15.180 627 HZ3 LYS 86 2HZ LYS 86 -24.342 -3.830 14.757 628 H GLU 87 H GLU 87 -26.483 -0.370 8.134 629 HA GLU 87 HA GLU 87 -24.438 1.257 7.072 630 HB2 GLU 87 1HB GLU 87 -27.444 1.078 6.681 631 HB3 GLU 87 2HB GLU 87 -26.495 2.278 5.802 632 HG2 GLU 87 1HG GLU 87 -25.772 -0.684 5.765 633 HG3 GLU 87 2HG GLU 87 -26.947 0.026 4.657 634 H LYS 88 H LYS 88 -27.499 2.605 8.316 635 HA LYS 88 HA LYS 88 -28.046 4.569 9.236 636 HB2 LYS 88 1HB LYS 88 -25.398 4.294 10.697 637 HB3 LYS 88 2HB LYS 88 -26.291 5.786 10.727 638 HG2 LYS 88 1HG LYS 88 -28.260 3.890 11.386 639 HG3 LYS 88 2HG LYS 88 -26.796 3.312 12.194 640 HD2 LYS 88 1HD LYS 88 -27.895 4.835 13.713 641 HD3 LYS 88 2HD LYS 88 -26.448 5.642 13.110 642 HE2 LYS 88 1HE LYS 88 -28.551 6.329 11.282 643 HE3 LYS 88 2HE LYS 88 -29.280 6.379 12.897 644 HZ1 LYS 88 3HZ LYS 88 -27.477 7.862 13.571 645 HZ2 LYS 88 1HZ LYS 88 -28.424 8.515 12.473 646 HZ3 LYS 88 2HZ LYS 88 -26.929 7.953 12.028 647 H HIS 89 H HIS 89 -27.852 4.830 6.832 648 HA HIS 89 HA HIS 89 -25.844 6.516 5.745 649 HB2 HIS 89 1HB HIS 89 -27.513 5.233 4.416 650 HB3 HIS 89 2HB HIS 89 -28.769 6.371 4.929 651 HD1 HIS 89 1HD HIS 89 -28.543 8.905 3.895 652 HD2 HIS 89 2HD HIS 89 -25.675 6.056 2.653 653 HE1 HIS 89 1HE HIS 89 -27.172 10.017 2.057 654 H LYS 90 H LYS 90 -25.581 8.751 5.731 655 HA LYS 90 HA LYS 90 -27.597 10.447 7.061 656 HB2 LYS 90 1HB LYS 90 -24.949 9.886 8.209 657 HB3 LYS 90 2HB LYS 90 -25.142 11.598 7.837 658 HG2 LYS 90 1HG LYS 90 -27.317 11.619 9.089 659 HG3 LYS 90 2HG LYS 90 -27.021 9.935 9.545 660 HD2 LYS 90 1HD LYS 90 -26.255 11.207 11.398 661 HD3 LYS 90 2HD LYS 90 -24.781 10.745 10.524 662 HE2 LYS 90 1HE LYS 90 -24.870 13.019 9.378 663 HE3 LYS 90 2HE LYS 90 -26.227 13.437 10.425 664 HZ1 LYS 90 3HZ LYS 90 -24.631 12.991 12.316 665 HZ2 LYS 90 1HZ LYS 90 -24.338 14.307 11.372 666 HZ3 LYS 90 2HZ LYS 90 -23.424 12.985 11.151 667 H THR 91 H THR 91 -24.277 11.081 5.723 668 HA THR 91 HA THR 91 -23.650 12.861 4.478 669 HB THR 91 HB THR 91 -26.065 12.267 2.728 670 HG1 THR 91 1HG THR 91 -24.472 10.447 3.334 671 HG21 THR 91 3HG2 THR 91 -23.266 13.213 1.963 672 HG22 THR 91 1HG2 THR 91 -24.667 14.290 2.125 673 HG23 THR 91 2HG2 THR 91 -24.685 13.023 0.899 674 H LYS 92 H LYS 92 -24.641 13.841 6.750 675 HA LYS 92 HA LYS 92 -25.895 16.242 5.947 676 HB2 LYS 92 1HB LYS 92 -27.886 14.573 6.261 677 HB3 LYS 92 2HB LYS 92 -27.492 14.610 7.986 678 HG2 LYS 92 1HG LYS 92 -27.867 17.010 8.078 679 HG3 LYS 92 2HG LYS 92 -27.904 17.119 6.312 680 HD2 LYS 92 1HD LYS 92 -30.043 15.790 6.311 681 HD3 LYS 92 2HD LYS 92 -29.992 15.794 8.082 682 HE2 LYS 92 1HE LYS 92 -31.440 17.616 7.350 683 HE3 LYS 92 2HE LYS 92 -29.965 18.286 8.068 684 HZ1 LYS 92 3HZ LYS 92 -30.597 18.123 5.179 685 HZ2 LYS 92 1HZ LYS 92 -29.125 18.558 5.768 686 HZ3 LYS 92 2HZ LYS 92 -30.417 19.477 6.126 Start of MODEL 4 1 H1 GLY 1 H GLY 1 14.259 27.435 -9.852 2 HA2 GLY 1 1HA GLY 1 15.344 25.867 -8.258 3 HA3 GLY 1 2HA GLY 1 15.662 27.578 -7.892 4 H HIS 2 H HIS 2 15.514 25.151 -6.056 5 HA HIS 2 HA HIS 2 13.904 26.462 -4.025 6 HB2 HIS 2 1HB HIS 2 12.825 24.365 -3.317 7 HB3 HIS 2 2HB HIS 2 12.246 24.971 -4.856 8 HD1 HIS 2 1HD HIS 2 12.430 21.808 -3.546 9 HD2 HIS 2 2HD HIS 2 14.030 23.593 -7.024 10 HE1 HIS 2 1HE HIS 2 12.747 19.958 -5.246 11 H MET 3 H MET 3 14.678 25.997 -1.970 12 HA MET 3 HA MET 3 17.510 25.406 -1.868 13 HB2 MET 3 1HB MET 3 17.287 25.792 0.528 14 HB3 MET 3 2HB MET 3 16.419 27.019 -0.382 15 HG2 MET 3 1HG MET 3 14.380 25.255 0.038 16 HG3 MET 3 2HG MET 3 15.380 24.884 1.442 17 HE1 MET 3 3HE MET 3 12.378 25.910 1.531 18 HE2 MET 3 1HE MET 3 13.287 25.609 3.020 19 HE3 MET 3 2HE MET 3 12.417 27.142 2.811 20 H GLN 4 H GLN 4 18.416 23.727 -0.363 21 HA GLN 4 HA GLN 4 17.490 21.072 -0.953 22 HB2 GLN 4 1HB GLN 4 19.575 22.271 0.887 23 HB3 GLN 4 2HB GLN 4 19.139 20.569 1.008 24 HG2 GLN 4 1HG GLN 4 19.652 20.265 -1.418 25 HG3 GLN 4 2HG GLN 4 20.135 21.964 -1.506 26 HE21 GLN 4 1HE2 GLN 4 20.822 19.073 0.624 27 HE22 GLN 4 2HE2 GLN 4 22.534 19.428 0.745 28 H GLU 5 H GLU 5 15.434 20.759 -0.382 29 HA GLU 5 HA GLU 5 14.688 20.616 2.455 30 HB2 GLU 5 1HB GLU 5 14.018 22.826 1.622 31 HB3 GLU 5 2HB GLU 5 13.149 22.089 0.280 32 HG2 GLU 5 1HG GLU 5 11.311 21.745 1.539 33 HG3 GLU 5 2HG GLU 5 12.230 20.956 2.827 34 H SER 6 H SER 6 15.459 18.618 0.255 35 HA SER 6 HA SER 6 12.934 17.243 -0.301 36 HB2 SER 6 1HB SER 6 15.014 17.050 -1.742 37 HB3 SER 6 2HB SER 6 15.742 16.094 -0.428 38 HG SER 6 HG SER 6 13.230 15.558 -1.664 39 H TYR 7 H TYR 7 11.834 16.489 1.435 40 HA TYR 7 HA TYR 7 13.028 16.193 3.990 41 HB2 TYR 7 1HB TYR 7 10.846 15.274 4.697 42 HB3 TYR 7 2HB TYR 7 10.737 16.800 3.850 43 HD1 TYR 7 1HD TYR 7 9.677 16.977 1.624 44 HD2 TYR 7 2HD TYR 7 9.895 13.230 3.740 45 HE1 TYR 7 1HE TYR 7 8.059 16.001 0.033 46 HE2 TYR 7 2HE TYR 7 8.226 12.259 2.150 47 HH TYR 7 HH TYR 7 7.177 12.516 0.232 48 H SER 8 H SER 8 12.210 13.859 1.540 49 HA SER 8 HA SER 8 12.653 11.675 1.236 50 HB2 SER 8 1HB SER 8 14.955 13.083 1.428 51 HB3 SER 8 2HB SER 8 15.294 11.809 2.614 52 HG SER 8 HG SER 8 15.337 10.378 1.038 53 H GLN 9 H GLN 9 10.930 11.043 2.557 54 HA GLN 9 HA GLN 9 11.112 10.779 5.360 55 HB2 GLN 9 1HB GLN 9 9.135 10.979 3.533 56 HB3 GLN 9 2HB GLN 9 9.053 9.249 3.757 57 HG2 GLN 9 1HG GLN 9 9.030 11.120 6.132 58 HG3 GLN 9 2HG GLN 9 7.581 10.891 5.157 59 HE21 GLN 9 1HE2 GLN 9 9.372 9.584 7.745 60 HE22 GLN 9 2HE2 GLN 9 8.468 8.091 7.911 61 H TYR 10 H TYR 10 11.472 8.425 2.725 62 HA TYR 10 HA TYR 10 12.555 6.400 4.615 63 HB2 TYR 10 1HB TYR 10 10.584 6.135 2.370 64 HB3 TYR 10 2HB TYR 10 11.732 4.846 2.596 65 HD1 TYR 10 1HD TYR 10 9.175 6.827 4.440 66 HD2 TYR 10 2HD TYR 10 11.421 3.176 4.225 67 HE1 TYR 10 1HE TYR 10 7.674 5.824 6.155 68 HE2 TYR 10 2HE TYR 10 9.959 2.157 5.954 69 HH TYR 10 HH TYR 10 7.161 3.954 7.360 70 HA PRO 11 HA PRO 11 16.018 6.030 1.618 71 HB2 PRO 11 1HB PRO 11 16.314 3.228 1.651 72 HB3 PRO 11 2HB PRO 11 17.033 4.403 2.775 73 HG2 PRO 11 1HG PRO 11 14.585 2.704 3.124 74 HG3 PRO 11 2HG PRO 11 15.827 3.155 4.332 75 HD2 PRO 11 1HD PRO 11 13.396 4.346 4.200 76 HD3 PRO 11 2HD PRO 11 14.854 5.208 4.740 77 H VAL 12 H VAL 12 16.424 4.036 -0.216 78 HA VAL 12 HA VAL 12 14.116 4.188 -2.056 79 HB VAL 12 HB VAL 12 17.007 4.636 -2.784 80 HG11 VAL 12 1HG1 VAL 12 14.427 4.683 -4.430 81 HG12 VAL 12 2HG1 VAL 12 16.058 5.096 -5.030 82 HG13 VAL 12 3HG1 VAL 12 15.698 3.439 -4.557 83 HG21 VAL 12 3HG2 VAL 12 16.201 6.897 -3.421 84 HG22 VAL 12 1HG2 VAL 12 14.601 6.508 -2.748 85 HG23 VAL 12 2HG2 VAL 12 16.035 6.614 -1.690 86 HA PRO 13 HA PRO 13 15.209 -0.182 -1.211 87 HB2 PRO 13 1HB PRO 13 12.819 -1.321 -1.821 88 HB3 PRO 13 2HB PRO 13 13.082 -0.385 -0.316 89 HG2 PRO 13 1HG PRO 13 11.876 0.576 -2.943 90 HG3 PRO 13 2HG PRO 13 11.192 0.780 -1.312 91 HD2 PRO 13 1HD PRO 13 12.653 2.709 -2.525 92 HD3 PRO 13 2HD PRO 13 12.762 2.459 -0.761 93 H ASP 14 H ASP 14 15.389 -2.167 -2.564 94 HA ASP 14 HA ASP 14 14.841 -2.015 -5.428 95 HB2 ASP 14 1HB ASP 14 17.167 -1.006 -5.136 96 HB3 ASP 14 2HB ASP 14 17.679 -2.542 -4.448 97 H VAL 15 H VAL 15 14.137 -4.054 -5.960 98 HA VAL 15 HA VAL 15 13.935 -6.117 -4.010 99 HB VAL 15 HB VAL 15 12.301 -5.741 -5.757 100 HG11 VAL 15 1HG1 VAL 15 12.660 -6.346 -8.092 101 HG12 VAL 15 2HG1 VAL 15 13.782 -5.064 -7.627 102 HG13 VAL 15 3HG1 VAL 15 14.362 -6.739 -7.768 103 HG21 VAL 15 3HG2 VAL 15 11.869 -8.013 -6.511 104 HG22 VAL 15 1HG2 VAL 15 13.512 -8.511 -6.077 105 HG23 VAL 15 2HG2 VAL 15 12.367 -7.989 -4.821 106 H SER 16 H SER 16 16.523 -5.291 -6.173 107 HA SER 16 HA SER 16 17.713 -7.827 -6.587 108 HB2 SER 16 1HB SER 16 18.162 -5.800 -7.877 109 HB3 SER 16 2HB SER 16 18.869 -5.016 -6.462 110 HG SER 16 HG SER 16 20.121 -6.453 -8.271 111 H THR 17 H THR 17 17.385 -6.250 -3.548 112 HA THR 17 HA THR 17 19.571 -7.969 -2.490 113 HB THR 17 HB THR 17 20.280 -5.679 -2.619 114 HG1 THR 17 1HG THR 17 20.804 -7.111 -0.773 115 HG21 THR 17 3HG2 THR 17 17.987 -5.018 -0.744 116 HG22 THR 17 1HG2 THR 17 18.252 -4.389 -2.394 117 HG23 THR 17 2HG2 THR 17 19.353 -3.935 -1.098 118 H TYR 18 H TYR 18 16.467 -8.134 -2.842 119 HA TYR 18 HA TYR 18 15.600 -8.488 -0.081 120 HB2 TYR 18 1HB TYR 18 14.358 -9.143 -2.777 121 HB3 TYR 18 2HB TYR 18 13.611 -9.520 -1.244 122 HD1 TYR 18 1HD TYR 18 15.280 -6.457 -0.643 123 HD2 TYR 18 2HD TYR 18 11.838 -8.108 -2.649 124 HE1 TYR 18 1HE TYR 18 14.294 -4.252 -0.721 125 HE2 TYR 18 2HE TYR 18 10.814 -5.858 -2.732 126 HH TYR 18 HH TYR 18 12.022 -3.333 -0.689 127 H GLN 19 H GLN 19 14.616 -10.528 0.481 128 HA GLN 19 HA GLN 19 16.403 -12.879 -0.077 129 HB2 GLN 19 1HB GLN 19 14.870 -12.037 2.412 130 HB3 GLN 19 2HB GLN 19 15.604 -13.624 2.185 131 HG2 GLN 19 1HG GLN 19 17.836 -12.523 1.927 132 HG3 GLN 19 2HG GLN 19 17.076 -10.960 2.253 133 HE21 GLN 19 1HE2 GLN 19 15.331 -12.962 4.288 134 HE22 GLN 19 2HE2 GLN 19 16.331 -12.820 5.691 135 H TYR 20 H TYR 20 15.234 -13.930 -1.701 136 HA TYR 20 HA TYR 20 12.359 -14.293 -1.638 137 HB2 TYR 20 1HB TYR 20 13.796 -14.404 -3.606 138 HB3 TYR 20 2HB TYR 20 14.618 -15.828 -2.973 139 HD1 TYR 20 1HD TYR 20 11.307 -14.499 -4.048 140 HD2 TYR 20 2HD TYR 20 13.698 -17.999 -3.329 141 HE1 TYR 20 1HE TYR 20 9.681 -15.864 -5.349 142 HE2 TYR 20 2HE TYR 20 12.076 -19.380 -4.516 143 HH TYR 20 HH TYR 20 9.881 -19.402 -5.480 144 H ASP 21 H ASP 21 11.217 -16.014 -0.833 145 HA ASP 21 HA ASP 21 12.718 -18.115 0.750 146 HB2 ASP 21 1HB ASP 21 10.486 -16.306 1.563 147 HB3 ASP 21 2HB ASP 21 10.343 -17.962 2.064 148 H GLU 22 H GLU 22 12.647 -19.695 -0.820 149 HA GLU 22 HA GLU 22 10.469 -20.037 -2.592 150 HB2 GLU 22 1HB GLU 22 11.438 -22.335 -2.966 151 HB3 GLU 22 2HB GLU 22 12.444 -20.950 -3.336 152 HG2 GLU 22 1HG GLU 22 13.949 -21.338 -1.790 153 HG3 GLU 22 2HG GLU 22 12.835 -22.196 -0.675 154 H THR 23 H THR 23 10.821 -21.247 0.616 155 HA THR 23 HA THR 23 8.963 -23.375 0.595 156 HB THR 23 HB THR 23 10.606 -22.709 2.378 157 HG1 THR 23 1HG THR 23 8.114 -23.105 3.568 158 HG21 THR 23 3HG2 THR 23 9.921 -20.329 2.672 159 HG22 THR 23 1HG2 THR 23 9.940 -21.247 4.184 160 HG23 THR 23 2HG2 THR 23 8.395 -20.876 3.391 161 H SER 24 H SER 24 8.318 -19.953 0.207 162 HA SER 24 HA SER 24 5.425 -20.620 0.159 163 HB2 SER 24 1HB SER 24 6.611 -18.190 1.507 164 HB3 SER 24 2HB SER 24 4.876 -18.513 1.265 165 HG SER 24 HG SER 24 4.890 -20.040 2.709 166 H GLY 25 H GLY 25 8.071 -18.667 -1.256 167 HA2 GLY 25 1HA GLY 25 8.004 -18.284 -3.587 168 HA3 GLY 25 2HA GLY 25 6.272 -18.316 -3.582 169 H TYR 26 H TYR 26 8.022 -16.221 -1.294 170 HA TYR 26 HA TYR 26 7.345 -13.829 -2.910 171 HB2 TYR 26 1HB TYR 26 6.581 -14.356 -0.038 172 HB3 TYR 26 2HB TYR 26 6.993 -12.755 -0.484 173 HD1 TYR 26 1HD TYR 26 4.843 -15.499 -2.026 174 HD2 TYR 26 2HD TYR 26 5.207 -11.352 -0.873 175 HE1 TYR 26 1HE TYR 26 2.504 -15.159 -2.601 176 HE2 TYR 26 2HE TYR 26 2.862 -10.987 -1.494 177 HH TYR 26 HH TYR 26 0.754 -13.697 -2.580 178 H TYR 27 H TYR 27 8.508 -11.914 -1.952 179 HA TYR 27 HA TYR 27 11.285 -12.621 -1.159 180 HB2 TYR 27 1HB TYR 27 10.073 -10.165 -2.479 181 HB3 TYR 27 2HB TYR 27 11.738 -10.300 -1.963 182 HD1 TYR 27 1HD TYR 27 9.218 -11.630 -4.365 183 HD2 TYR 27 2HD TYR 27 13.397 -11.485 -3.255 184 HE1 TYR 27 1HE TYR 27 9.855 -12.653 -6.541 185 HE2 TYR 27 2HE TYR 27 14.017 -12.489 -5.386 186 HH TYR 27 HH TYR 27 12.914 -12.587 -7.830 187 H TYR 28 H TYR 28 12.160 -11.487 0.588 188 HA TYR 28 HA TYR 28 10.383 -9.745 2.241 189 HB2 TYR 28 1HB TYR 28 10.944 -11.743 3.414 190 HB3 TYR 28 2HB TYR 28 12.628 -11.669 2.900 191 HD1 TYR 28 1HD TYR 28 10.087 -9.703 4.850 192 HD2 TYR 28 2HD TYR 28 14.229 -10.781 4.350 193 HE1 TYR 28 1HE TYR 28 10.621 -8.651 7.039 194 HE2 TYR 28 2HE TYR 28 14.800 -9.694 6.478 195 HH TYR 28 HH TYR 28 13.356 -7.656 8.076 196 H ASP 29 H ASP 29 11.250 -7.816 2.914 197 HA ASP 29 HA ASP 29 13.621 -6.781 1.462 198 HB2 ASP 29 1HB ASP 29 11.619 -5.718 0.854 199 HB3 ASP 29 2HB ASP 29 11.236 -5.268 2.516 200 HA PRO 30 HA PRO 30 15.166 -6.784 5.849 201 HB2 PRO 30 1HB PRO 30 17.840 -6.747 5.158 202 HB3 PRO 30 2HB PRO 30 16.836 -8.235 5.349 203 HG2 PRO 30 1HG PRO 30 17.608 -6.799 2.807 204 HG3 PRO 30 2HG PRO 30 17.567 -8.569 3.128 205 HD2 PRO 30 1HD PRO 30 15.582 -7.279 1.818 206 HD3 PRO 30 2HD PRO 30 15.258 -8.667 2.893 207 H GLN 31 H GLN 31 15.224 -4.547 3.274 208 HA GLN 31 HA GLN 31 16.934 -2.591 4.620 209 HB2 GLN 31 1HB GLN 31 14.899 -2.057 2.416 210 HB3 GLN 31 2HB GLN 31 16.193 -1.009 2.935 211 HG2 GLN 31 1HG GLN 31 17.881 -2.737 2.222 212 HG3 GLN 31 2HG GLN 31 16.575 -3.685 1.529 213 HE21 GLN 31 1HE2 GLN 31 16.448 -3.392 -0.682 214 HE22 GLN 31 2HE2 GLN 31 17.025 -1.960 -1.518 215 H THR 32 H THR 32 13.616 -3.669 4.833 216 HA THR 32 HA THR 32 12.818 -1.288 6.453 217 HB THR 32 HB THR 32 10.642 -1.490 5.170 218 HG1 THR 32 1HG THR 32 11.748 -2.576 2.937 219 HG21 THR 32 3HG2 THR 32 12.422 0.265 4.693 220 HG22 THR 32 1HG2 THR 32 11.377 -0.144 3.337 221 HG23 THR 32 2HG2 THR 32 13.025 -0.787 3.395 222 H GLY 33 H GLY 33 12.093 -4.615 5.475 223 HA2 GLY 33 1HA GLY 33 11.476 -6.347 6.975 224 HA3 GLY 33 2HA GLY 33 10.873 -5.165 8.140 225 H LEU 34 H LEU 34 10.210 -5.333 4.612 226 HA LEU 34 HA LEU 34 7.330 -6.002 5.156 227 HB2 LEU 34 1HB LEU 34 8.566 -4.492 2.819 228 HB3 LEU 34 2HB LEU 34 6.866 -4.849 3.005 229 HG LEU 34 HG LEU 34 8.268 -3.204 5.156 230 HD11 LEU 34 1HD1 LEU 34 8.950 -2.042 3.229 231 HD12 LEU 34 2HD1 LEU 34 7.528 -1.171 3.826 232 HD13 LEU 34 3HD1 LEU 34 7.410 -2.274 2.420 233 HD21 LEU 34 3HD2 LEU 34 5.408 -3.271 4.105 234 HD22 LEU 34 1HD2 LEU 34 6.018 -2.241 5.418 235 HD23 LEU 34 2HD2 LEU 34 5.995 -3.993 5.620 236 H TYR 35 H TYR 35 6.346 -7.300 3.233 237 HA TYR 35 HA TYR 35 8.415 -8.936 1.857 238 HB2 TYR 35 1HB TYR 35 5.582 -9.621 2.659 239 HB3 TYR 35 2HB TYR 35 6.430 -10.471 1.382 240 HD1 TYR 35 2HD TYR 35 6.851 -9.543 5.001 241 HD2 TYR 35 1HD TYR 35 7.956 -12.263 1.809 242 HE1 TYR 35 2HE TYR 35 8.048 -10.971 6.615 243 HE2 TYR 35 1HE TYR 35 9.026 -13.713 3.392 244 HH TYR 35 HH TYR 35 9.574 -14.078 5.606 245 H TYR 36 H TYR 36 7.897 -9.487 -0.341 246 HA TYR 36 HA TYR 36 6.244 -7.556 -1.871 247 HB2 TYR 36 1HB TYR 36 8.408 -6.551 -1.754 248 HB3 TYR 36 2HB TYR 36 9.230 -8.077 -2.048 249 HD1 TYR 36 2HD TYR 36 9.316 -9.050 -4.336 250 HD2 TYR 36 1HD TYR 36 7.443 -5.245 -3.568 251 HE1 TYR 36 2HE TYR 36 9.400 -8.526 -6.752 252 HE2 TYR 36 1HE TYR 36 7.627 -4.658 -5.955 253 HH TYR 36 HH TYR 36 8.868 -5.301 -8.013 254 H ASP 37 H ASP 37 5.748 -8.331 -3.991 255 HA ASP 37 HA ASP 37 6.247 -11.226 -4.551 256 HB2 ASP 37 1HB ASP 37 3.900 -10.884 -3.829 257 HB3 ASP 37 2HB ASP 37 3.733 -9.626 -5.042 258 HA PRO 38 HA PRO 38 7.850 -9.326 -8.178 259 HB2 PRO 38 1HB PRO 38 8.147 -11.473 -9.874 260 HB3 PRO 38 2HB PRO 38 9.083 -11.310 -8.358 261 HG2 PRO 38 1HG PRO 38 6.440 -12.786 -8.762 262 HG3 PRO 38 2HG PRO 38 7.969 -13.458 -8.052 263 HD2 PRO 38 1HD PRO 38 6.047 -12.570 -6.479 264 HD3 PRO 38 2HD PRO 38 7.730 -12.136 -6.113 265 H ASN 39 H ASN 39 4.643 -10.856 -8.540 266 HA ASN 39 HA ASN 39 4.217 -9.767 -11.230 267 HB2 ASN 39 1HB ASN 39 2.523 -11.330 -9.253 268 HB3 ASN 39 2HB ASN 39 2.048 -10.837 -10.831 269 HD21 ASN 39 1HD2 ASN 39 2.992 -13.511 -9.196 270 HD22 ASN 39 2HD2 ASN 39 3.820 -14.388 -10.467 271 H SER 40 H SER 40 3.506 -9.434 -7.795 272 HA SER 40 HA SER 40 1.591 -7.194 -8.340 273 HB2 SER 40 1HB SER 40 0.260 -8.039 -6.442 274 HB3 SER 40 2HB SER 40 0.331 -9.130 -7.827 275 HG SER 40 HG SER 40 0.540 -10.199 -5.839 276 H GLN 41 H GLN 41 3.278 -5.744 -8.158 277 HA GLN 41 HA GLN 41 5.153 -5.440 -6.164 278 HB2 GLN 41 1HB GLN 41 3.793 -3.463 -7.991 279 HB3 GLN 41 2HB GLN 41 5.100 -3.001 -6.896 280 HG2 GLN 41 1HG GLN 41 5.991 -3.440 -9.075 281 HG3 GLN 41 2HG GLN 41 6.638 -4.542 -7.884 282 HE21 GLN 41 1HE2 GLN 41 7.058 -6.457 -8.867 283 HE22 GLN 41 2HE2 GLN 41 6.040 -7.291 -10.002 284 H TYR 42 H TYR 42 1.946 -5.374 -5.389 285 HA TYR 42 HA TYR 42 1.802 -3.248 -3.446 286 HB2 TYR 42 1HB TYR 42 0.164 -5.808 -3.653 287 HB3 TYR 42 2HB TYR 42 -0.269 -4.357 -2.752 288 HD1 TYR 42 2HD TYR 42 -0.443 -2.127 -4.156 289 HD2 TYR 42 1HD TYR 42 -0.492 -6.070 -5.892 290 HE1 TYR 42 2HE TYR 42 -1.303 -1.175 -6.255 291 HE2 TYR 42 1HE TYR 42 -1.296 -5.126 -8.042 292 HH TYR 42 HH TYR 42 -2.319 -1.817 -8.348 293 H TYR 43 H TYR 43 3.131 -3.305 -1.747 294 HA TYR 43 HA TYR 43 4.681 -5.634 -0.969 295 HB2 TYR 43 1HB TYR 43 4.254 -2.881 0.237 296 HB3 TYR 43 2HB TYR 43 5.289 -4.100 0.984 297 HD1 TYR 43 2HD TYR 43 4.885 -1.983 -2.077 298 HD2 TYR 43 1HD TYR 43 7.495 -4.587 0.157 299 HE1 TYR 43 2HE TYR 43 6.757 -1.333 -3.526 300 HE2 TYR 43 1HE TYR 43 9.387 -3.918 -1.272 301 HH TYR 43 HH TYR 43 8.950 -1.529 -3.953 302 H TYR 44 H TYR 44 4.408 -6.897 0.856 303 HA TYR 44 HA TYR 44 1.710 -6.839 2.115 304 HB2 TYR 44 1HB TYR 44 2.184 -8.916 1.097 305 HB3 TYR 44 2HB TYR 44 3.729 -9.071 1.892 306 HD1 TYR 44 1HD TYR 44 0.089 -8.558 2.724 307 HD2 TYR 44 2HD TYR 44 3.829 -10.347 3.911 308 HE1 TYR 44 1HE TYR 44 -1.068 -9.753 4.565 309 HE2 TYR 44 2HE TYR 44 2.696 -11.499 5.773 310 HH TYR 44 HH TYR 44 0.667 -12.022 6.730 311 H ASN 45 H ASN 45 1.679 -5.753 3.829 312 HA ASN 45 HA ASN 45 4.025 -5.307 5.575 313 HB2 ASN 45 1HB ASN 45 2.657 -3.407 4.996 314 HB3 ASN 45 2HB ASN 45 1.184 -4.214 5.555 315 HD21 ASN 45 1HD2 ASN 45 0.624 -2.856 7.344 316 HD22 ASN 45 2HD2 ASN 45 1.766 -2.602 8.661 317 H ALA 46 H ALA 46 4.121 -7.625 6.066 318 HA ALA 46 HA ALA 46 2.272 -9.302 7.202 319 HB1 ALA 46 1HB ALA 46 4.135 -10.356 8.379 320 HB2 ALA 46 2HB ALA 46 4.694 -9.831 6.778 321 HB3 ALA 46 3HB ALA 46 5.107 -8.888 8.236 322 H GLN 47 H GLN 47 3.908 -6.623 8.780 323 HA GLN 47 HA GLN 47 3.489 -6.809 11.416 324 HB2 GLN 47 1HB GLN 47 4.346 -4.981 9.606 325 HB3 GLN 47 2HB GLN 47 2.836 -4.205 10.104 326 HG2 GLN 47 1HG GLN 47 3.665 -4.468 12.485 327 HG3 GLN 47 2HG GLN 47 5.212 -5.018 11.771 328 HE21 GLN 47 1HE2 GLN 47 5.674 -3.366 9.645 329 HE22 GLN 47 2HE2 GLN 47 5.464 -1.670 9.953 330 H SER 48 H SER 48 1.081 -5.494 9.063 331 HA SER 48 HA SER 48 -1.081 -5.984 11.029 332 HB2 SER 48 1HB SER 48 -0.874 -3.656 9.071 333 HB3 SER 48 2HB SER 48 -2.103 -3.877 10.313 334 HG SER 48 HG SER 48 -0.300 -2.394 10.774 335 H GLN 49 H GLN 49 0.075 -7.488 8.722 336 HA GLN 49 HA GLN 49 -0.429 -8.618 6.891 337 HB2 GLN 49 1HB GLN 49 -3.193 -8.700 8.166 338 HB3 GLN 49 2HB GLN 49 -2.542 -9.827 6.971 339 HG2 GLN 49 1HG GLN 49 -1.719 -11.057 8.655 340 HG3 GLN 49 2HG GLN 49 -0.535 -9.785 8.933 341 HE21 GLN 49 1HE2 GLN 49 -1.117 -11.450 10.883 342 HE22 GLN 49 2HE2 GLN 49 -2.028 -10.669 12.176 343 H GLN 50 H GLN 50 -0.778 -5.687 6.757 344 HA GLN 50 HA GLN 50 -2.986 -5.209 4.956 345 HB2 GLN 50 1HB GLN 50 -1.736 -3.727 6.909 346 HB3 GLN 50 2HB GLN 50 -1.032 -3.043 5.443 347 HG2 GLN 50 1HG GLN 50 -2.989 -1.796 6.061 348 HG3 GLN 50 2HG GLN 50 -3.333 -2.638 4.566 349 HE21 GLN 50 1HE2 GLN 50 -3.578 -4.995 7.180 350 HE22 GLN 50 2HE2 GLN 50 -5.301 -4.890 7.196 351 H TYR 51 H TYR 51 -2.653 -3.850 2.913 352 HA TYR 51 HA TYR 51 -0.329 -4.928 1.428 353 HB2 TYR 51 1HB TYR 51 -3.228 -4.535 0.603 354 HB3 TYR 51 2HB TYR 51 -1.900 -4.569 -0.538 355 HD1 TYR 51 2HD TYR 51 -2.541 -6.697 2.531 356 HD2 TYR 51 1HD TYR 51 -1.925 -6.578 -1.730 357 HE1 TYR 51 2HE TYR 51 -2.496 -9.142 2.511 358 HE2 TYR 51 1HE TYR 51 -1.898 -9.046 -1.779 359 HH TYR 51 HH TYR 51 -1.941 -10.987 -0.502 360 H LEU 52 H LEU 52 0.941 -3.314 0.697 361 HA LEU 52 HA LEU 52 -0.001 -0.475 0.800 362 HB2 LEU 52 1HB LEU 52 2.695 -1.599 1.588 363 HB3 LEU 52 2HB LEU 52 2.220 0.073 1.717 364 HG LEU 52 HG LEU 52 1.110 -2.259 3.356 365 HD11 LEU 52 1HD1 LEU 52 2.260 -1.095 5.226 366 HD12 LEU 52 2HD1 LEU 52 2.896 0.113 4.081 367 HD13 LEU 52 3HD1 LEU 52 3.384 -1.588 3.952 368 HD21 LEU 52 3HD2 LEU 52 0.053 -0.479 4.770 369 HD22 LEU 52 1HD2 LEU 52 -0.667 -0.639 3.172 370 HD23 LEU 52 2HD2 LEU 52 0.464 0.713 3.514 371 H TYR 53 H TYR 53 1.820 0.898 -0.390 372 HA TYR 53 HA TYR 53 3.147 -0.635 -2.504 373 HB2 TYR 53 1HB TYR 53 2.484 0.763 -4.268 374 HB3 TYR 53 2HB TYR 53 1.031 0.194 -3.503 375 HD1 TYR 53 1HD TYR 53 -0.077 1.951 -1.698 376 HD2 TYR 53 2HD TYR 53 2.706 2.971 -4.835 377 HE1 TYR 53 1HE TYR 53 -0.801 4.241 -1.553 378 HE2 TYR 53 2HE TYR 53 1.921 5.290 -4.783 379 HH TYR 53 HH TYR 53 0.949 6.846 -3.430 380 H TRP 54 H TRP 54 5.051 0.410 -3.230 381 HA TRP 54 HA TRP 54 6.259 2.374 -1.351 382 HB2 TRP 54 1HB TRP 54 7.780 0.654 -2.165 383 HB3 TRP 54 2HB TRP 54 7.274 0.930 -3.834 384 HD1 TRP 54 HD TRP 54 8.898 2.285 -5.186 385 HE1 TRP 54 1HE TRP 54 10.610 4.167 -4.770 386 HE3 TRP 54 3HE TRP 54 8.367 2.814 -0.130 387 HZ2 TRP 54 2HZ TRP 54 11.655 5.663 -2.563 388 HZ3 TRP 54 3HZ TRP 54 9.669 4.498 1.092 389 HH2 TRP 54 HH TRP 54 11.272 5.991 -0.119 390 H ASP 55 H ASP 55 6.271 4.556 -1.863 391 HA ASP 55 HA ASP 55 5.409 5.295 -4.608 392 HB2 ASP 55 1HB ASP 55 3.574 5.536 -2.897 393 HB3 ASP 55 2HB ASP 55 4.519 6.802 -2.130 394 H GLY 56 H GLY 56 7.456 5.737 -5.326 395 HA2 GLY 56 1HA GLY 56 9.405 7.216 -3.830 396 HA3 GLY 56 2HA GLY 56 9.385 6.953 -5.576 397 H GLU 57 H GLU 57 6.453 8.276 -5.478 398 HA GLU 57 HA GLU 57 7.431 10.952 -6.086 399 HB2 GLU 57 1HB GLU 57 4.567 10.080 -5.600 400 HB3 GLU 57 2HB GLU 57 5.145 11.549 -6.383 401 HG2 GLU 57 1HG GLU 57 6.360 9.674 -7.959 402 HG3 GLU 57 2HG GLU 57 4.924 8.776 -7.492 403 H ARG 58 H ARG 58 6.119 9.230 -3.327 404 HA ARG 58 HA ARG 58 6.094 11.708 -1.670 405 HB2 ARG 58 1HB ARG 58 4.918 8.931 -1.268 406 HB3 ARG 58 2HB ARG 58 4.841 10.238 -0.064 407 HG2 ARG 58 1HG ARG 58 3.626 11.650 -1.665 408 HG3 ARG 58 2HG ARG 58 3.665 10.369 -2.887 409 HD2 ARG 58 1HD ARG 58 2.234 8.945 -1.612 410 HD3 ARG 58 2HD ARG 58 2.431 9.938 -0.152 411 HE ARG 58 HE ARG 58 1.268 11.184 -2.579 412 HH11 ARG 58 1HH1 ARG 58 0.592 9.909 0.689 413 HH12 ARG 58 2HH1 ARG 58 -0.732 10.969 0.953 414 HH21 ARG 58 1HH2 ARG 58 -0.736 12.204 -2.366 415 HH22 ARG 58 2HH2 ARG 58 -1.537 12.286 -0.812 416 H ARG 59 H ARG 59 8.034 9.045 -2.357 417 HA ARG 59 HA ARG 59 9.688 7.863 -1.438 418 HB2 ARG 59 1HB ARG 59 10.422 10.489 -0.084 419 HB3 ARG 59 2HB ARG 59 11.403 9.030 -0.043 420 HG2 ARG 59 1HG ARG 59 11.569 8.954 -2.469 421 HG3 ARG 59 2HG ARG 59 10.583 10.416 -2.621 422 HD2 ARG 59 1HD ARG 59 12.904 10.763 -0.816 423 HD3 ARG 59 2HD ARG 59 13.374 10.284 -2.438 424 HE ARG 59 HE ARG 59 12.197 12.816 -1.589 425 HH11 ARG 59 1HH1 ARG 59 12.997 10.723 -4.380 426 HH12 ARG 59 2HH1 ARG 59 12.567 11.935 -5.555 427 HH21 ARG 59 1HH2 ARG 59 11.912 14.478 -3.239 428 HH22 ARG 59 2HH2 ARG 59 12.144 14.061 -4.914 429 H THR 60 H THR 60 7.477 6.986 -0.417 430 HA THR 60 HA THR 60 8.207 6.216 2.264 431 HB THR 60 HB THR 60 6.986 8.434 2.555 432 HG1 THR 60 1HG THR 60 6.689 7.464 4.390 433 HG21 THR 60 3HG2 THR 60 4.630 8.564 2.152 434 HG22 THR 60 1HG2 THR 60 4.520 6.842 1.756 435 HG23 THR 60 2HG2 THR 60 5.339 7.954 0.657 436 H TYR 61 H TYR 61 6.131 4.784 3.040 437 HA TYR 61 HA TYR 61 5.156 3.189 0.721 438 HB2 TYR 61 1HB TYR 61 5.714 2.207 3.541 439 HB3 TYR 61 2HB TYR 61 4.882 1.308 2.288 440 HD1 TYR 61 2HD TYR 61 8.142 2.642 3.395 441 HD2 TYR 61 1HD TYR 61 6.117 0.314 0.384 442 HE1 TYR 61 2HE TYR 61 10.295 1.672 2.705 443 HE2 TYR 61 1HE TYR 61 8.258 -0.782 -0.218 444 HH TYR 61 HH TYR 61 10.539 -1.150 0.565 445 H VAL 62 H VAL 62 2.970 3.186 0.581 446 HA VAL 62 HA VAL 62 1.350 4.340 2.761 447 HB VAL 62 HB VAL 62 0.163 5.412 0.543 448 HG11 VAL 62 1HG1 VAL 62 0.615 6.622 2.604 449 HG12 VAL 62 2HG1 VAL 62 2.359 6.598 2.302 450 HG13 VAL 62 3HG1 VAL 62 1.273 7.549 1.254 451 HG21 VAL 62 3HG2 VAL 62 2.150 4.753 -0.923 452 HG22 VAL 62 1HG2 VAL 62 1.811 6.491 -0.872 453 HG23 VAL 62 2HG2 VAL 62 3.156 5.828 0.051 454 HA PRO 63 HA PRO 63 -1.266 0.988 1.976 455 HB2 PRO 63 1HB PRO 63 -3.786 1.838 2.581 456 HB3 PRO 63 2HB PRO 63 -2.491 1.677 3.807 457 HG2 PRO 63 1HG PRO 63 -3.378 4.192 2.370 458 HG3 PRO 63 2HG PRO 63 -3.071 3.970 4.116 459 HD2 PRO 63 1HD PRO 63 -1.219 5.037 2.410 460 HD3 PRO 63 2HD PRO 63 -0.749 4.027 3.809 461 H ALA 64 H ALA 64 -2.203 -0.058 0.287 462 HA ALA 64 HA ALA 64 -2.810 1.620 -2.086 463 HB1 ALA 64 1HB ALA 64 -1.979 -1.307 -1.918 464 HB2 ALA 64 2HB ALA 64 -2.189 -0.339 -3.409 465 HB3 ALA 64 3HB ALA 64 -0.908 0.081 -2.270 466 H LEU 65 H LEU 65 -4.665 0.938 0.103 467 HA LEU 65 HA LEU 65 -6.465 -1.224 -0.812 468 HB2 LEU 65 1HB LEU 65 -7.129 0.862 1.286 469 HB3 LEU 65 2HB LEU 65 -7.846 -0.727 1.070 470 HG LEU 65 HG LEU 65 -4.997 -0.172 2.019 471 HD11 LEU 65 1HD1 LEU 65 -6.784 0.460 3.630 472 HD12 LEU 65 2HD1 LEU 65 -5.778 -0.880 4.205 473 HD13 LEU 65 3HD1 LEU 65 -7.402 -1.203 3.564 474 HD21 LEU 65 3HD2 LEU 65 -4.919 -2.582 2.586 475 HD22 LEU 65 1HD2 LEU 65 -5.096 -2.335 0.843 476 HD23 LEU 65 2HD2 LEU 65 -6.501 -2.813 1.811 477 H GLU 66 H GLU 66 -6.239 2.245 -1.013 478 HA GLU 66 HA GLU 66 -8.822 2.892 -2.037 479 HB2 GLU 66 1HB GLU 66 -6.058 4.095 -2.048 480 HB3 GLU 66 2HB GLU 66 -7.336 4.888 -2.960 481 HG2 GLU 66 1HG GLU 66 -8.637 5.360 -1.019 482 HG3 GLU 66 2HG GLU 66 -7.804 4.142 -0.052 483 H GLN 67 H GLN 67 -6.089 1.336 -3.628 484 HA GLN 67 HA GLN 67 -6.573 2.392 -6.174 485 HB2 GLN 67 1HB GLN 67 -4.407 1.323 -5.131 486 HB3 GLN 67 2HB GLN 67 -5.044 -0.193 -5.750 487 HG2 GLN 67 1HG GLN 67 -5.395 1.143 -7.984 488 HG3 GLN 67 2HG GLN 67 -4.364 2.373 -7.238 489 HE21 GLN 67 1HE2 GLN 67 -2.199 2.152 -7.889 490 HE22 GLN 67 2HE2 GLN 67 -1.433 0.640 -8.319 491 H SER 68 H SER 68 -8.930 1.959 -6.161 492 HA SER 68 HA SER 68 -9.482 -0.361 -7.914 493 HB2 SER 68 1HB SER 68 -10.293 -0.576 -5.388 494 HB3 SER 68 2HB SER 68 -11.547 0.545 -5.959 495 HG SER 68 HG SER 68 -10.958 -2.126 -6.710 496 H ALA 69 H ALA 69 -8.708 1.940 -8.740 497 HA ALA 69 HA ALA 69 -10.647 3.855 -9.667 498 HB1 ALA 69 1HB ALA 69 -8.239 4.255 -9.883 499 HB2 ALA 69 2HB ALA 69 -8.066 2.825 -10.928 500 HB3 ALA 69 3HB ALA 69 -9.001 4.223 -11.491 501 H ASP 70 H ASP 70 -12.555 2.944 -10.458 502 HA ASP 70 HA ASP 70 -12.322 1.154 -12.811 503 HB2 ASP 70 1HB ASP 70 -12.835 0.159 -10.218 504 HB3 ASP 70 2HB ASP 70 -14.413 0.188 -10.986 505 H GLY 71 H GLY 71 -13.620 3.906 -11.666 506 HA2 GLY 71 1HA GLY 71 -15.240 5.169 -12.924 507 HA3 GLY 71 2HA GLY 71 -16.110 3.686 -13.316 508 H HIS 72 H HIS 72 -14.987 5.584 -10.502 509 HA HIS 72 HA HIS 72 -15.823 5.998 -8.448 510 HB2 HIS 72 1HB HIS 72 -18.430 6.090 -9.977 511 HB3 HIS 72 2HB HIS 72 -18.210 6.670 -8.331 512 HD1 HIS 72 1HD HIS 72 -18.978 9.107 -8.985 513 HD2 HIS 72 2HD HIS 72 -15.675 7.632 -11.171 514 HE1 HIS 72 1HE HIS 72 -18.040 11.059 -10.341 515 H LYS 73 H LYS 73 -15.131 3.534 -8.396 516 HA LYS 73 HA LYS 73 -17.240 2.165 -6.814 517 HB2 LYS 73 1HB LYS 73 -15.422 0.806 -8.856 518 HB3 LYS 73 2HB LYS 73 -16.374 -0.025 -7.631 519 HG2 LYS 73 1HG LYS 73 -18.422 1.233 -8.660 520 HG3 LYS 73 2HG LYS 73 -17.359 1.438 -10.071 521 HD2 LYS 73 1HD LYS 73 -16.980 -1.049 -10.068 522 HD3 LYS 73 2HD LYS 73 -18.125 -1.205 -8.735 523 HE2 LYS 73 1HE LYS 73 -18.720 -0.247 -11.565 524 HE3 LYS 73 2HE LYS 73 -19.188 -1.791 -10.844 525 HZ1 LYS 73 3HZ LYS 73 -20.158 0.880 -10.037 526 HZ2 LYS 73 1HZ LYS 73 -20.599 -0.535 -9.294 527 HZ3 LYS 73 2HZ LYS 73 -21.017 -0.252 -10.854 528 H GLU 74 H GLU 74 -15.094 3.979 -5.967 529 HA GLU 74 HA GLU 74 -12.855 2.401 -5.011 530 HB2 GLU 74 1HB GLU 74 -13.907 5.107 -4.071 531 HB3 GLU 74 2HB GLU 74 -12.333 4.396 -3.703 532 HG2 GLU 74 1HG GLU 74 -11.855 4.466 -6.223 533 HG3 GLU 74 2HG GLU 74 -13.349 5.404 -6.416 534 H THR 75 H THR 75 -12.450 2.235 -2.720 535 HA THR 75 HA THR 75 -14.106 0.675 -1.347 536 HB THR 75 HB THR 75 -12.301 2.683 0.039 537 HG1 THR 75 1HG THR 75 -10.548 1.617 -0.543 538 HG21 THR 75 3HG2 THR 75 -12.787 -0.306 0.353 539 HG22 THR 75 1HG2 THR 75 -13.398 0.977 1.428 540 HG23 THR 75 2HG2 THR 75 -11.655 0.659 1.333 541 H GLY 76 H GLY 76 -14.159 4.212 -1.234 542 HA2 GLY 76 1HA GLY 76 -15.519 4.527 1.224 543 HA3 GLY 76 2HA GLY 76 -15.466 5.721 -0.082 544 H ALA 77 H ALA 77 -16.755 4.503 -2.089 545 HA ALA 77 HA ALA 77 -18.833 4.454 -2.991 546 HB1 ALA 77 1HB ALA 77 -19.921 2.382 -2.607 547 HB2 ALA 77 2HB ALA 77 -18.167 2.186 -2.736 548 HB3 ALA 77 3HB ALA 77 -18.954 2.089 -1.130 549 HA PRO 78 HA PRO 78 -21.317 6.524 0.322 550 HB2 PRO 78 1HB PRO 78 -21.393 9.002 -0.638 551 HB3 PRO 78 2HB PRO 78 -19.919 8.392 0.158 552 HG2 PRO 78 1HG PRO 78 -20.434 8.459 -2.842 553 HG3 PRO 78 2HG PRO 78 -19.031 9.140 -1.950 554 HD2 PRO 78 1HD PRO 78 -18.945 6.598 -3.006 555 HD3 PRO 78 2HD PRO 78 -18.181 7.008 -1.437 556 H SER 79 H SER 79 -21.548 5.697 -2.991 557 HA SER 79 HA SER 79 -24.356 5.318 -2.608 558 HB2 SER 79 1HB SER 79 -24.228 7.479 -3.905 559 HB3 SER 79 2HB SER 79 -23.299 6.630 -5.143 560 HG SER 79 HG SER 79 -25.489 6.830 -5.624 561 H LYS 80 H LYS 80 -24.976 3.467 -3.829 562 HA LYS 80 HA LYS 80 -23.135 2.405 -5.825 563 HB2 LYS 80 1HB LYS 80 -24.129 0.618 -3.561 564 HB3 LYS 80 2HB LYS 80 -23.483 0.050 -5.099 565 HG2 LYS 80 1HG LYS 80 -21.395 1.497 -4.569 566 HG3 LYS 80 2HG LYS 80 -22.002 1.460 -2.893 567 HD2 LYS 80 1HD LYS 80 -21.922 -1.024 -2.938 568 HD3 LYS 80 2HD LYS 80 -21.450 -0.954 -4.652 569 HE2 LYS 80 1HE LYS 80 -19.415 0.336 -4.045 570 HE3 LYS 80 2HE LYS 80 -19.795 0.074 -2.334 571 HZ1 LYS 80 3HZ LYS 80 -18.203 -1.509 -3.292 572 HZ2 LYS 80 1HZ LYS 80 -19.323 -2.087 -4.320 573 HZ3 LYS 80 2HZ LYS 80 -19.542 -2.285 -2.707 574 H GLU 81 H GLU 81 -25.806 3.857 -5.479 575 HA GLU 81 HA GLU 81 -27.768 3.983 -6.424 576 HB2 GLU 81 1HB GLU 81 -26.641 3.235 -8.482 577 HB3 GLU 81 2HB GLU 81 -27.190 1.581 -8.159 578 HG2 GLU 81 1HG GLU 81 -29.542 2.330 -8.201 579 HG3 GLU 81 2HG GLU 81 -29.021 4.013 -8.390 580 H GLY 82 H GLY 82 -29.113 3.755 -4.789 581 HA2 GLY 82 1HA GLY 82 -31.217 2.651 -4.305 582 HA3 GLY 82 2HA GLY 82 -30.401 1.092 -4.369 583 H LYS 83 H LYS 83 -28.046 2.285 -2.844 584 HA LYS 83 HA LYS 83 -29.269 2.327 -0.117 585 HB2 LYS 83 1HB LYS 83 -27.020 0.559 -1.135 586 HB3 LYS 83 2HB LYS 83 -27.354 0.824 0.573 587 HG2 LYS 83 1HG LYS 83 -29.745 0.014 0.155 588 HG3 LYS 83 2HG LYS 83 -29.194 -0.492 -1.449 589 HD2 LYS 83 1HD LYS 83 -29.055 -2.421 -0.016 590 HD3 LYS 83 2HD LYS 83 -27.405 -1.877 -0.315 591 HE2 LYS 83 1HE LYS 83 -28.125 -0.438 1.968 592 HE3 LYS 83 2HE LYS 83 -28.988 -1.954 2.213 593 HZ1 LYS 83 3HZ LYS 83 -26.879 -3.110 1.980 594 HZ2 LYS 83 1HZ LYS 83 -26.787 -2.015 3.170 595 HZ3 LYS 83 2HZ LYS 83 -26.079 -1.697 1.689 596 H GLU 84 H GLU 84 -27.900 4.511 -1.923 597 HA GLU 84 HA GLU 84 -25.459 5.216 -0.872 598 HB2 GLU 84 1HB GLU 84 -26.030 7.547 -1.337 599 HB3 GLU 84 2HB GLU 84 -26.349 6.449 -2.663 600 HG2 GLU 84 1HG GLU 84 -28.760 6.560 -2.261 601 HG3 GLU 84 2HG GLU 84 -28.511 7.473 -0.768 602 H LYS 85 H LYS 85 -24.693 5.475 1.019 603 HA LYS 85 HA LYS 85 -24.380 5.828 3.231 604 HB2 LYS 85 1HB LYS 85 -26.678 7.795 3.027 605 HB3 LYS 85 2HB LYS 85 -25.516 7.708 4.329 606 HG2 LYS 85 1HG LYS 85 -23.883 8.787 3.191 607 HG3 LYS 85 2HG LYS 85 -24.222 8.018 1.651 608 HD2 LYS 85 1HD LYS 85 -25.923 10.236 2.840 609 HD3 LYS 85 2HD LYS 85 -24.606 10.484 1.679 610 HE2 LYS 85 1HE LYS 85 -25.747 9.095 0.004 611 HE3 LYS 85 2HE LYS 85 -27.067 8.772 1.133 612 HZ1 LYS 85 3HZ LYS 85 -27.535 11.194 1.097 613 HZ2 LYS 85 1HZ LYS 85 -27.664 10.472 -0.414 614 HZ3 LYS 85 2HZ LYS 85 -26.400 11.414 -0.041 615 H LYS 86 H LYS 86 -27.334 4.474 2.220 616 HA LYS 86 HA LYS 86 -28.383 3.872 4.910 617 HB2 LYS 86 1HB LYS 86 -29.268 3.078 2.104 618 HB3 LYS 86 2HB LYS 86 -30.117 2.620 3.586 619 HG2 LYS 86 1HG LYS 86 -30.614 4.934 4.126 620 HG3 LYS 86 2HG LYS 86 -29.627 5.519 2.780 621 HD2 LYS 86 1HD LYS 86 -31.129 4.349 1.173 622 HD3 LYS 86 2HD LYS 86 -32.173 3.869 2.535 623 HE2 LYS 86 1HE LYS 86 -32.540 6.249 3.103 624 HE3 LYS 86 2HE LYS 86 -31.428 6.745 1.818 625 HZ1 LYS 86 3HZ LYS 86 -33.993 5.333 1.391 626 HZ2 LYS 86 1HZ LYS 86 -32.948 5.797 0.206 627 HZ3 LYS 86 2HZ LYS 86 -33.714 6.930 1.113 628 H GLU 87 H GLU 87 -25.862 3.036 4.905 629 HA GLU 87 HA GLU 87 -26.011 0.070 4.560 630 HB2 GLU 87 1HB GLU 87 -23.680 0.051 3.916 631 HB3 GLU 87 2HB GLU 87 -24.616 1.034 2.805 632 HG2 GLU 87 1HG GLU 87 -23.420 2.884 3.227 633 HG3 GLU 87 2HG GLU 87 -23.538 2.710 4.958 634 H LYS 88 H LYS 88 -26.235 2.204 6.854 635 HA LYS 88 HA LYS 88 -25.632 2.678 8.907 636 HB2 LYS 88 1HB LYS 88 -25.009 1.166 10.538 637 HB3 LYS 88 2HB LYS 88 -26.107 0.296 9.480 638 HG2 LYS 88 1HG LYS 88 -24.453 -1.155 8.733 639 HG3 LYS 88 2HG LYS 88 -23.177 0.044 8.909 640 HD2 LYS 88 1HD LYS 88 -23.944 -0.512 11.560 641 HD3 LYS 88 2HD LYS 88 -24.025 -2.072 10.738 642 HE2 LYS 88 1HE LYS 88 -21.671 -0.136 10.828 643 HE3 LYS 88 2HE LYS 88 -21.774 -1.674 11.674 644 HZ1 LYS 88 3HZ LYS 88 -21.802 -1.492 8.703 645 HZ2 LYS 88 1HZ LYS 88 -21.524 -2.831 9.649 646 HZ3 LYS 88 2HZ LYS 88 -20.451 -1.597 9.568 647 H HIS 89 H HIS 89 -23.498 2.610 10.488 648 HA HIS 89 HA HIS 89 -21.064 2.644 8.982 649 HB2 HIS 89 1HB HIS 89 -20.207 4.746 9.752 650 HB3 HIS 89 2HB HIS 89 -21.653 5.020 8.810 651 HD1 HIS 89 1HD HIS 89 -20.699 7.306 10.638 652 HD2 HIS 89 2HD HIS 89 -23.403 4.279 11.794 653 HE1 HIS 89 1HE HIS 89 -22.110 8.273 12.516 654 H LYS 90 H LYS 90 -19.212 2.570 10.552 655 HA LYS 90 HA LYS 90 -20.013 1.091 12.972 656 HB2 LYS 90 1HB LYS 90 -17.978 0.657 11.218 657 HB3 LYS 90 2HB LYS 90 -17.123 1.660 12.389 658 HG2 LYS 90 1HG LYS 90 -18.237 0.060 14.173 659 HG3 LYS 90 2HG LYS 90 -18.585 -0.979 12.781 660 HD2 LYS 90 1HD LYS 90 -16.028 -0.823 12.296 661 HD3 LYS 90 2HD LYS 90 -15.902 -0.110 13.913 662 HE2 LYS 90 1HE LYS 90 -15.712 -2.253 14.622 663 HE3 LYS 90 2HE LYS 90 -17.479 -2.275 14.492 664 HZ1 LYS 90 3HZ LYS 90 -15.565 -3.123 12.406 665 HZ2 LYS 90 1HZ LYS 90 -17.195 -3.220 12.241 666 HZ3 LYS 90 2HZ LYS 90 -16.413 -4.152 13.340 667 H THR 91 H THR 91 -20.492 4.042 12.720 668 HA THR 91 HA THR 91 -20.169 6.038 13.675 669 HB THR 91 HB THR 91 -18.434 4.843 15.858 670 HG1 THR 91 1HG THR 91 -21.278 4.986 15.659 671 HG21 THR 91 3HG2 THR 91 -18.568 7.326 15.615 672 HG22 THR 91 1HG2 THR 91 -19.249 6.740 17.122 673 HG23 THR 91 2HG2 THR 91 -20.340 7.232 15.804 674 H LYS 92 H LYS 92 -19.088 6.641 11.769 675 HA LYS 92 HA LYS 92 -16.530 7.727 12.059 676 HB2 LYS 92 1HB LYS 92 -16.748 5.057 10.752 677 HB3 LYS 92 2HB LYS 92 -16.084 6.277 9.682 678 HG2 LYS 92 1HG LYS 92 -14.223 6.708 11.039 679 HG3 LYS 92 2HG LYS 92 -14.931 5.965 12.479 680 HD2 LYS 92 1HD LYS 92 -14.826 3.760 11.494 681 HD3 LYS 92 2HD LYS 92 -14.279 4.406 9.945 682 HE2 LYS 92 1HE LYS 92 -12.709 4.720 12.544 683 HE3 LYS 92 2HE LYS 92 -12.520 3.353 11.434 684 HZ1 LYS 92 3HZ LYS 92 -11.922 6.171 10.816 685 HZ2 LYS 92 1HZ LYS 92 -11.970 4.962 9.681 686 HZ3 LYS 92 2HZ LYS 92 -10.882 4.931 10.905 Start of MODEL 5 1 H1 GLY 1 H GLY 1 7.681 21.536 -14.980 2 HA2 GLY 1 1HA GLY 1 9.023 21.675 -12.899 3 HA3 GLY 1 2HA GLY 1 7.536 22.655 -12.842 4 H HIS 2 H HIS 2 9.145 21.232 -10.676 5 HA HIS 2 HA HIS 2 6.998 19.574 -9.471 6 HB2 HIS 2 1HB HIS 2 10.029 19.212 -9.389 7 HB3 HIS 2 2HB HIS 2 8.863 18.271 -8.482 8 HD1 HIS 2 1HD HIS 2 10.908 17.381 -11.077 9 HD2 HIS 2 2HD HIS 2 6.716 17.597 -10.703 10 HE1 HIS 2 1HE HIS 2 9.939 15.684 -12.732 11 H MET 3 H MET 3 8.072 19.396 -6.895 12 HA MET 3 HA MET 3 8.518 22.210 -6.051 13 HB2 MET 3 1HB MET 3 6.492 20.398 -4.694 14 HB3 MET 3 2HB MET 3 6.902 22.061 -4.263 15 HG2 MET 3 1HG MET 3 6.084 22.789 -6.531 16 HG3 MET 3 2HG MET 3 5.528 21.135 -6.805 17 HE1 MET 3 3HE MET 3 2.106 22.740 -6.556 18 HE2 MET 3 1HE MET 3 3.557 23.373 -7.373 19 HE3 MET 3 2HE MET 3 3.194 21.639 -7.419 20 H GLN 4 H GLN 4 9.313 22.264 -3.746 21 HA GLN 4 HA GLN 4 11.416 20.194 -3.576 22 HB2 GLN 4 1HB GLN 4 11.762 22.759 -4.017 23 HB3 GLN 4 2HB GLN 4 11.413 22.949 -2.308 24 HG2 GLN 4 1HG GLN 4 13.762 22.910 -2.494 25 HG3 GLN 4 2HG GLN 4 13.369 21.311 -1.879 26 HE21 GLN 4 1HE2 GLN 4 13.541 19.445 -3.418 27 HE22 GLN 4 2HE2 GLN 4 14.448 19.618 -4.892 28 H GLU 5 H GLU 5 8.698 19.809 -2.425 29 HA GLU 5 HA GLU 5 8.561 20.558 0.259 30 HB2 GLU 5 1HB GLU 5 6.623 19.253 0.471 31 HB3 GLU 5 2HB GLU 5 6.633 20.085 -1.093 32 HG2 GLU 5 1HG GLU 5 7.521 18.007 -2.130 33 HG3 GLU 5 2HG GLU 5 7.375 17.202 -0.559 34 H SER 6 H SER 6 10.315 17.877 -1.052 35 HA SER 6 HA SER 6 11.558 16.246 -0.116 36 HB2 SER 6 1HB SER 6 11.876 18.587 1.742 37 HB3 SER 6 2HB SER 6 12.615 17.060 2.216 38 HG SER 6 HG SER 6 13.612 18.769 0.552 39 H TYR 7 H TYR 7 9.380 15.095 0.001 40 HA TYR 7 HA TYR 7 8.241 14.716 2.674 41 HB2 TYR 7 1HB TYR 7 7.239 14.491 0.046 42 HB3 TYR 7 2HB TYR 7 7.264 12.861 0.668 43 HD1 TYR 7 1HD TYR 7 6.436 12.681 3.254 44 HD2 TYR 7 2HD TYR 7 5.258 15.694 0.396 45 HE1 TYR 7 1HE TYR 7 4.396 13.117 4.563 46 HE2 TYR 7 2HE TYR 7 3.231 16.164 1.721 47 HH TYR 7 HH TYR 7 2.500 14.389 4.757 48 H SER 8 H SER 8 9.061 13.237 3.917 49 HA SER 8 HA SER 8 9.967 10.676 2.879 50 HB2 SER 8 1HB SER 8 12.264 10.766 3.511 51 HB3 SER 8 2HB SER 8 11.902 12.044 2.332 52 HG SER 8 HG SER 8 11.615 12.968 4.864 53 H GLN 9 H GLN 9 10.127 8.979 4.530 54 HA GLN 9 HA GLN 9 10.354 9.882 7.237 55 HB2 GLN 9 1HB GLN 9 8.315 9.184 8.110 56 HB3 GLN 9 2HB GLN 9 7.890 10.097 6.673 57 HG2 GLN 9 1HG GLN 9 7.641 7.954 5.409 58 HG3 GLN 9 2HG GLN 9 7.962 7.072 6.920 59 HE21 GLN 9 1HE2 GLN 9 6.619 8.401 8.802 60 HE22 GLN 9 2HE2 GLN 9 4.889 8.385 8.505 61 H TYR 10 H TYR 10 10.459 7.190 4.971 62 HA TYR 10 HA TYR 10 11.423 5.373 7.118 63 HB2 TYR 10 1HB TYR 10 10.498 4.964 4.281 64 HB3 TYR 10 2HB TYR 10 11.526 3.782 5.053 65 HD1 TYR 10 2HD TYR 10 8.260 5.517 5.318 66 HD2 TYR 10 1HD TYR 10 10.682 2.263 6.748 67 HE1 TYR 10 2HE TYR 10 6.334 4.680 6.616 68 HE2 TYR 10 1HE TYR 10 8.771 1.402 8.056 69 HH TYR 10 HH TYR 10 6.443 1.777 8.733 70 HA PRO 11 HA PRO 11 15.620 5.842 5.447 71 HB2 PRO 11 1HB PRO 11 16.495 3.194 5.657 72 HB3 PRO 11 2HB PRO 11 16.521 4.405 6.976 73 HG2 PRO 11 1HG PRO 11 14.566 2.184 6.473 74 HG3 PRO 11 2HG PRO 11 15.170 2.822 8.026 75 HD2 PRO 11 1HD PRO 11 12.719 3.391 6.878 76 HD3 PRO 11 2HD PRO 11 13.538 4.456 8.049 77 H VAL 12 H VAL 12 16.991 4.373 3.761 78 HA VAL 12 HA VAL 12 15.291 4.101 1.368 79 HB VAL 12 HB VAL 12 18.156 5.061 1.620 80 HG11 VAL 12 1HG1 VAL 12 17.796 3.858 -0.512 81 HG12 VAL 12 2HG1 VAL 12 16.331 4.813 -0.816 82 HG13 VAL 12 3HG1 VAL 12 17.929 5.594 -0.794 83 HG21 VAL 12 3HG2 VAL 12 16.526 6.748 2.404 84 HG22 VAL 12 1HG2 VAL 12 17.212 7.224 0.853 85 HG23 VAL 12 2HG2 VAL 12 15.570 6.534 0.925 86 HA PRO 13 HA PRO 13 16.960 -0.122 2.263 87 HB2 PRO 13 1HB PRO 13 14.982 -1.584 1.137 88 HB3 PRO 13 2HB PRO 13 14.730 -0.735 2.703 89 HG2 PRO 13 1HG PRO 13 13.987 0.262 -0.087 90 HG3 PRO 13 2HG PRO 13 12.920 0.147 1.340 91 HD2 PRO 13 1HD PRO 13 14.172 2.444 0.713 92 HD3 PRO 13 2HD PRO 13 14.001 1.949 2.425 93 H ASP 14 H ASP 14 17.707 -1.895 0.763 94 HA ASP 14 HA ASP 14 17.367 -1.453 -2.113 95 HB2 ASP 14 1HB ASP 14 19.633 -0.437 -1.340 96 HB3 ASP 14 2HB ASP 14 20.123 -2.101 -1.028 97 H VAL 15 H VAL 15 16.847 -3.395 -2.992 98 HA VAL 15 HA VAL 15 16.547 -5.739 -1.475 99 HB VAL 15 HB VAL 15 15.204 -5.129 -3.414 100 HG11 VAL 15 1HG1 VAL 15 16.030 -5.431 -5.713 101 HG12 VAL 15 2HG1 VAL 15 16.887 -4.135 -4.880 102 HG13 VAL 15 3HG1 VAL 15 17.665 -5.714 -5.081 103 HG21 VAL 15 3HG2 VAL 15 15.170 -7.478 -2.835 104 HG22 VAL 15 1HG2 VAL 15 15.099 -7.304 -4.581 105 HG23 VAL 15 2HG2 VAL 15 16.614 -7.792 -3.808 106 H SER 16 H SER 16 19.417 -4.452 -2.910 107 HA SER 16 HA SER 16 21.018 -6.699 -3.404 108 HB2 SER 16 1HB SER 16 21.555 -4.351 -3.891 109 HB3 SER 16 2HB SER 16 21.705 -4.003 -2.166 110 HG SER 16 HG SER 16 23.625 -4.485 -3.592 111 H THR 17 H THR 17 19.882 -5.483 -0.244 112 HA THR 17 HA THR 17 21.685 -7.459 1.079 113 HB THR 17 HB THR 17 22.307 -5.093 1.316 114 HG1 THR 17 1HG THR 17 23.123 -6.137 2.828 115 HG21 THR 17 3HG2 THR 17 19.705 -4.780 2.858 116 HG22 THR 17 1HG2 THR 17 20.236 -3.892 1.409 117 HG23 THR 17 2HG2 THR 17 21.084 -3.663 2.934 118 H TYR 18 H TYR 18 18.844 -7.670 0.006 119 HA TYR 18 HA TYR 18 17.190 -8.380 2.333 120 HB2 TYR 18 1HB TYR 18 16.917 -8.593 -0.661 121 HB3 TYR 18 2HB TYR 18 15.788 -9.356 0.402 122 HD1 TYR 18 1HD TYR 18 16.950 -6.242 1.943 123 HD2 TYR 18 2HD TYR 18 14.187 -7.937 -0.909 124 HE1 TYR 18 1HE TYR 18 15.656 -4.194 2.008 125 HE2 TYR 18 2HE TYR 18 12.955 -5.782 -0.972 126 HH TYR 18 HH TYR 18 13.059 -3.638 1.459 127 H GLN 19 H GLN 19 16.150 -10.819 1.697 128 HA GLN 19 HA GLN 19 18.374 -12.731 1.298 129 HB2 GLN 19 1HB GLN 19 15.938 -12.984 3.147 130 HB3 GLN 19 2HB GLN 19 17.079 -14.238 2.725 131 HG2 GLN 19 1HG GLN 19 18.812 -12.370 3.641 132 HG3 GLN 19 2HG GLN 19 17.403 -11.913 4.576 133 HE21 GLN 19 1HE2 GLN 19 16.250 -14.378 5.239 134 HE22 GLN 19 2HE2 GLN 19 17.408 -15.335 6.104 135 H TYR 20 H TYR 20 17.689 -14.463 -0.024 136 HA TYR 20 HA TYR 20 15.053 -14.205 -1.397 137 HB2 TYR 20 1HB TYR 20 17.092 -14.437 -2.766 138 HB3 TYR 20 2HB TYR 20 17.514 -15.909 -1.911 139 HD1 TYR 20 1HD TYR 20 14.724 -14.380 -3.945 140 HD2 TYR 20 2HD TYR 20 16.846 -17.975 -2.847 141 HE1 TYR 20 1HE TYR 20 13.632 -15.593 -5.831 142 HE2 TYR 20 2HE TYR 20 15.703 -19.187 -4.676 143 HH TYR 20 HH TYR 20 13.443 -18.751 -6.349 144 H ASP 21 H ASP 21 13.618 -16.003 -1.246 145 HA ASP 21 HA ASP 21 14.429 -18.244 0.560 146 HB2 ASP 21 1HB ASP 21 12.572 -16.193 1.286 147 HB3 ASP 21 2HB ASP 21 11.610 -17.622 0.972 148 H GLU 22 H GLU 22 14.817 -19.358 -1.304 149 HA GLU 22 HA GLU 22 13.378 -19.745 -3.608 150 HB2 GLU 22 1HB GLU 22 14.263 -22.186 -3.447 151 HB3 GLU 22 2HB GLU 22 15.383 -20.852 -3.607 152 HG2 GLU 22 1HG GLU 22 15.871 -20.850 -1.244 153 HG3 GLU 22 2HG GLU 22 14.740 -22.210 -0.981 154 H THR 23 H THR 23 12.582 -21.052 -0.403 155 HA THR 23 HA THR 23 10.831 -23.108 -1.259 156 HB THR 23 HB THR 23 12.086 -22.696 0.947 157 HG1 THR 23 1HG THR 23 11.072 -24.348 1.321 158 HG21 THR 23 3HG2 THR 23 9.510 -21.327 1.739 159 HG22 THR 23 1HG2 THR 23 11.038 -20.466 1.458 160 HG23 THR 23 2HG2 THR 23 10.923 -21.654 2.763 161 H SER 24 H SER 24 10.337 -19.636 -0.911 162 HA SER 24 HA SER 24 7.516 -19.972 -1.858 163 HB2 SER 24 1HB SER 24 8.834 -17.723 -0.296 164 HB3 SER 24 2HB SER 24 7.299 -17.549 -1.171 165 HG SER 24 HG SER 24 7.851 -19.061 1.139 166 H GLY 25 H GLY 25 10.746 -18.687 -2.584 167 HA2 GLY 25 1HA GLY 25 11.592 -18.154 -4.637 168 HA3 GLY 25 2HA GLY 25 9.979 -18.277 -5.377 169 H TYR 26 H TYR 26 10.743 -16.325 -2.488 170 HA TYR 26 HA TYR 26 10.288 -13.804 -4.027 171 HB2 TYR 26 1HB TYR 26 9.116 -14.744 -1.389 172 HB3 TYR 26 2HB TYR 26 9.329 -13.046 -1.703 173 HD1 TYR 26 1HD TYR 26 7.728 -16.123 -3.089 174 HD2 TYR 26 2HD TYR 26 7.851 -11.830 -3.137 175 HE1 TYR 26 1HE TYR 26 5.747 -16.108 -4.568 176 HE2 TYR 26 2HE TYR 26 5.819 -11.801 -4.558 177 HH TYR 26 HH TYR 26 4.073 -14.744 -5.486 178 H TYR 27 H TYR 27 11.176 -11.956 -2.688 179 HA TYR 27 HA TYR 27 13.579 -12.716 -1.160 180 HB2 TYR 27 1HB TYR 27 12.868 -10.078 -2.484 181 HB3 TYR 27 2HB TYR 27 14.134 -10.236 -1.260 182 HD1 TYR 27 2HD TYR 27 13.123 -11.331 -4.682 183 HD2 TYR 27 1HD TYR 27 16.275 -11.180 -1.750 184 HE1 TYR 27 2HE TYR 27 14.727 -12.238 -6.363 185 HE2 TYR 27 1HE TYR 27 17.858 -12.104 -3.378 186 HH TYR 27 HH TYR 27 16.943 -12.807 -6.788 187 H TYR 28 H TYR 28 13.781 -11.697 0.868 188 HA TYR 28 HA TYR 28 11.303 -10.757 2.215 189 HB2 TYR 28 1HB TYR 28 11.852 -12.966 3.033 190 HB3 TYR 28 2HB TYR 28 13.558 -12.586 3.097 191 HD1 TYR 28 2HD TYR 28 10.432 -10.945 4.479 192 HD2 TYR 28 1HD TYR 28 14.372 -12.526 5.244 193 HE1 TYR 28 2HE TYR 28 10.199 -10.356 6.870 194 HE2 TYR 28 1HE TYR 28 14.182 -11.903 7.623 195 HH TYR 28 HH TYR 28 11.497 -10.033 8.933 196 H ASP 29 H ASP 29 11.589 -8.874 3.311 197 HA ASP 29 HA ASP 29 14.111 -7.358 3.042 198 HB2 ASP 29 1HB ASP 29 12.156 -6.398 1.987 199 HB3 ASP 29 2HB ASP 29 11.243 -6.474 3.488 200 HA PRO 30 HA PRO 30 13.881 -8.517 7.532 201 HB2 PRO 30 1HB PRO 30 16.622 -8.353 8.018 202 HB3 PRO 30 2HB PRO 30 15.708 -9.822 7.531 203 HG2 PRO 30 1HG PRO 30 17.404 -8.016 5.841 204 HG3 PRO 30 2HG PRO 30 17.196 -9.801 5.740 205 HD2 PRO 30 1HD PRO 30 15.924 -7.998 4.068 206 HD3 PRO 30 2HD PRO 30 15.253 -9.601 4.512 207 H GLN 31 H GLN 31 14.866 -5.712 5.824 208 HA GLN 31 HA GLN 31 15.769 -4.154 8.113 209 HB2 GLN 31 1HB GLN 31 14.507 -3.062 5.542 210 HB3 GLN 31 2HB GLN 31 15.320 -2.157 6.756 211 HG2 GLN 31 1HG GLN 31 16.803 -4.336 5.221 212 HG3 GLN 31 2HG GLN 31 16.597 -2.707 4.585 213 HE21 GLN 31 1HE2 GLN 31 18.880 -4.525 6.206 214 HE22 GLN 31 2HE2 GLN 31 19.575 -3.229 7.201 215 H THR 32 H THR 32 12.711 -4.493 6.217 216 HA THR 32 HA THR 32 11.284 -3.133 8.446 217 HB THR 32 HB THR 32 9.555 -2.744 6.704 218 HG1 THR 32 1HG THR 32 11.400 -3.375 4.688 219 HG21 THR 32 3HG2 THR 32 10.753 -0.942 5.646 220 HG22 THR 32 1HG2 THR 32 12.330 -1.691 5.970 221 HG23 THR 32 2HG2 THR 32 11.325 -1.069 7.305 222 H GLY 33 H GLY 33 11.180 -6.194 6.630 223 HA2 GLY 33 1HA GLY 33 10.210 -8.127 7.637 224 HA3 GLY 33 2HA GLY 33 8.963 -7.127 8.389 225 H LEU 34 H LEU 34 9.693 -6.282 5.103 226 HA LEU 34 HA LEU 34 7.038 -7.306 4.218 227 HB2 LEU 34 1HB LEU 34 9.128 -5.515 2.907 228 HB3 LEU 34 2HB LEU 34 7.560 -5.904 2.203 229 HG LEU 34 HG LEU 34 7.848 -4.500 4.907 230 HD11 LEU 34 1HD1 LEU 34 8.945 -3.167 3.204 231 HD12 LEU 34 2HD1 LEU 34 7.441 -2.404 3.719 232 HD13 LEU 34 3HD1 LEU 34 7.504 -3.256 2.156 233 HD21 LEU 34 3HD2 LEU 34 5.505 -3.785 4.417 234 HD22 LEU 34 1HD2 LEU 34 5.665 -5.525 4.615 235 HD23 LEU 34 2HD2 LEU 34 5.506 -4.840 2.981 236 H TYR 35 H TYR 35 6.964 -8.420 1.977 237 HA TYR 35 HA TYR 35 9.530 -9.773 1.296 238 HB2 TYR 35 1HB TYR 35 6.631 -10.499 0.960 239 HB3 TYR 35 2HB TYR 35 7.866 -11.231 -0.066 240 HD1 TYR 35 2HD TYR 35 6.808 -10.832 3.518 241 HD2 TYR 35 1HD TYR 35 9.310 -12.987 0.711 242 HE1 TYR 35 2HE TYR 35 7.545 -12.361 5.333 243 HE2 TYR 35 1HE TYR 35 10.000 -14.487 2.457 244 HH TYR 35 HH TYR 35 9.983 -14.924 4.693 245 H TYR 36 H TYR 36 9.845 -9.971 -1.095 246 HA TYR 36 HA TYR 36 8.669 -7.818 -2.764 247 HB2 TYR 36 1HB TYR 36 10.603 -6.839 -1.643 248 HB3 TYR 36 2HB TYR 36 11.598 -8.210 -2.078 249 HD1 TYR 36 1HD TYR 36 9.643 -5.359 -3.490 250 HD2 TYR 36 2HD TYR 36 12.704 -8.322 -4.214 251 HE1 TYR 36 1HE TYR 36 10.268 -4.188 -5.573 252 HE2 TYR 36 2HE TYR 36 13.326 -7.152 -6.312 253 HH TYR 36 HH TYR 36 13.000 -5.213 -7.662 254 H ASP 37 H ASP 37 8.981 -8.306 -5.087 255 HA ASP 37 HA ASP 37 9.939 -11.089 -5.624 256 HB2 ASP 37 1HB ASP 37 7.493 -11.002 -5.748 257 HB3 ASP 37 2HB ASP 37 7.612 -9.651 -6.872 258 HA PRO 38 HA PRO 38 12.501 -8.849 -8.396 259 HB2 PRO 38 1HB PRO 38 13.427 -10.837 -10.100 260 HB3 PRO 38 2HB PRO 38 13.926 -10.683 -8.388 261 HG2 PRO 38 1HG PRO 38 11.653 -12.385 -9.499 262 HG3 PRO 38 2HG PRO 38 13.015 -12.925 -8.432 263 HD2 PRO 38 1HD PRO 38 10.671 -12.326 -7.377 264 HD3 PRO 38 2HD PRO 38 12.145 -11.698 -6.598 265 H ASN 39 H ASN 39 9.866 -10.795 -9.957 266 HA ASN 39 HA ASN 39 10.073 -9.243 -12.447 267 HB2 ASN 39 1HB ASN 39 8.570 -11.614 -11.458 268 HB3 ASN 39 2HB ASN 39 7.576 -10.494 -12.376 269 HD21 ASN 39 1HD2 ASN 39 9.860 -13.006 -12.699 270 HD22 ASN 39 2HD2 ASN 39 10.138 -12.747 -14.396 271 H SER 40 H SER 40 8.465 -9.131 -9.376 272 HA SER 40 HA SER 40 6.407 -7.274 -10.468 273 HB2 SER 40 1HB SER 40 5.679 -9.203 -8.320 274 HB3 SER 40 2HB SER 40 4.762 -8.638 -9.708 275 HG SER 40 HG SER 40 6.891 -10.537 -9.630 276 H GLN 41 H GLN 41 7.515 -5.480 -9.718 277 HA GLN 41 HA GLN 41 8.979 -5.236 -7.389 278 HB2 GLN 41 1HB GLN 41 7.769 -3.275 -9.306 279 HB3 GLN 41 2HB GLN 41 8.639 -2.730 -7.870 280 HG2 GLN 41 1HG GLN 41 9.983 -2.875 -9.961 281 HG3 GLN 41 2HG GLN 41 10.673 -3.546 -8.524 282 HE21 GLN 41 1HE2 GLN 41 10.861 -5.957 -8.383 283 HE22 GLN 41 2HE2 GLN 41 10.929 -6.871 -9.876 284 H TYR 42 H TYR 42 5.598 -5.426 -7.381 285 HA TYR 42 HA TYR 42 4.998 -3.637 -5.207 286 HB2 TYR 42 1HB TYR 42 3.530 -6.132 -6.171 287 HB3 TYR 42 2HB TYR 42 2.899 -4.942 -5.028 288 HD1 TYR 42 2HD TYR 42 3.297 -2.386 -5.936 289 HD2 TYR 42 1HD TYR 42 2.736 -5.879 -8.404 290 HE1 TYR 42 2HE TYR 42 2.768 -0.931 -7.846 291 HE2 TYR 42 1HE TYR 42 2.129 -4.432 -10.314 292 HH TYR 42 HH TYR 42 2.170 -2.242 -11.121 293 H TYR 43 H TYR 43 5.343 -3.898 -3.136 294 HA TYR 43 HA TYR 43 6.812 -6.238 -2.129 295 HB2 TYR 43 1HB TYR 43 5.942 -3.595 -0.894 296 HB3 TYR 43 2HB TYR 43 6.660 -4.890 0.051 297 HD1 TYR 43 1HD TYR 43 7.348 -2.742 -2.995 298 HD2 TYR 43 2HD TYR 43 9.011 -5.045 0.263 299 HE1 TYR 43 1HE TYR 43 9.593 -1.932 -3.578 300 HE2 TYR 43 2HE TYR 43 11.249 -4.212 -0.311 301 HH TYR 43 HH TYR 43 11.826 -1.920 -3.042 302 H TYR 44 H TYR 44 5.950 -7.472 -0.338 303 HA TYR 44 HA TYR 44 2.980 -7.685 -0.263 304 HB2 TYR 44 1HB TYR 44 3.794 -9.583 -1.385 305 HB3 TYR 44 2HB TYR 44 5.170 -9.741 -0.350 306 HD1 TYR 44 1HD TYR 44 1.444 -9.483 0.359 307 HD2 TYR 44 2HD TYR 44 5.062 -11.800 0.743 308 HE1 TYR 44 1HE TYR 44 0.230 -11.225 1.646 309 HE2 TYR 44 2HE TYR 44 3.811 -13.568 1.948 310 HH TYR 44 HH TYR 44 0.416 -13.746 2.103 311 H ASN 45 H ASN 45 2.309 -6.877 1.550 312 HA ASN 45 HA ASN 45 3.870 -6.867 4.061 313 HB2 ASN 45 1HB ASN 45 2.641 -4.812 3.357 314 HB3 ASN 45 2HB ASN 45 1.134 -5.779 3.307 315 HD21 ASN 45 1HD2 ASN 45 -0.044 -4.907 4.984 316 HD22 ASN 45 2HD2 ASN 45 0.612 -4.686 6.608 317 H ALA 46 H ALA 46 3.834 -9.265 4.048 318 HA ALA 46 HA ALA 46 1.527 -10.883 3.967 319 HB1 ALA 46 1HB ALA 46 3.879 -11.314 5.862 320 HB2 ALA 46 2HB ALA 46 2.861 -12.531 5.092 321 HB3 ALA 46 3HB ALA 46 4.005 -11.601 4.105 322 H GLN 47 H GLN 47 2.913 -8.924 6.559 323 HA GLN 47 HA GLN 47 1.674 -9.613 8.826 324 HB2 GLN 47 1HB GLN 47 3.192 -7.479 7.909 325 HB3 GLN 47 2HB GLN 47 1.660 -6.686 8.222 326 HG2 GLN 47 1HG GLN 47 1.691 -7.977 10.481 327 HG3 GLN 47 2HG GLN 47 3.424 -8.222 10.119 328 HE21 GLN 47 1HE2 GLN 47 4.541 -5.976 9.379 329 HE22 GLN 47 2HE2 GLN 47 4.033 -4.531 10.190 330 H SER 48 H SER 48 0.053 -7.907 6.150 331 HA SER 48 HA SER 48 -2.493 -8.516 7.467 332 HB2 SER 48 1HB SER 48 -1.720 -5.740 6.570 333 HB3 SER 48 2HB SER 48 -3.400 -6.248 6.644 334 HG SER 48 HG SER 48 -1.523 -6.048 8.773 335 H GLN 49 H GLN 49 -0.795 -9.584 5.289 336 HA GLN 49 HA GLN 49 -0.779 -10.303 3.227 337 HB2 GLN 49 1HB GLN 49 -3.815 -10.164 3.314 338 HB3 GLN 49 2HB GLN 49 -2.839 -11.306 2.394 339 HG2 GLN 49 1HG GLN 49 -2.179 -12.486 4.417 340 HG3 GLN 49 2HG GLN 49 -2.994 -11.294 5.446 341 HE21 GLN 49 1HE2 GLN 49 -5.381 -10.955 5.058 342 HE22 GLN 49 2HE2 GLN 49 -6.352 -12.236 4.364 343 H GLN 50 H GLN 50 -0.922 -7.334 3.438 344 HA GLN 50 HA GLN 50 -2.511 -6.601 1.082 345 HB2 GLN 50 1HB GLN 50 -2.107 -5.438 3.648 346 HB3 GLN 50 2HB GLN 50 -1.440 -4.317 2.474 347 HG2 GLN 50 1HG GLN 50 -3.932 -4.125 3.192 348 HG3 GLN 50 2HG GLN 50 -3.503 -3.898 1.495 349 HE21 GLN 50 1HE2 GLN 50 -4.142 -6.924 3.448 350 HE22 GLN 50 2HE2 GLN 50 -5.403 -7.506 2.388 351 H TYR 51 H TYR 51 -1.714 -4.977 -0.432 352 HA TYR 51 HA TYR 51 1.036 -5.799 -1.216 353 HB2 TYR 51 1HB TYR 51 -1.484 -5.474 -2.793 354 HB3 TYR 51 2HB TYR 51 0.079 -5.163 -3.540 355 HD1 TYR 51 2HD TYR 51 -1.421 -7.728 -1.229 356 HD2 TYR 51 1HD TYR 51 1.184 -6.961 -4.562 357 HE1 TYR 51 2HE TYR 51 -0.920 -10.156 -1.384 358 HE2 TYR 51 1HE TYR 51 1.664 -9.390 -4.746 359 HH TYR 51 HH TYR 51 1.526 -11.542 -3.056 360 H LEU 52 H LEU 52 2.528 -4.271 -1.579 361 HA LEU 52 HA LEU 52 1.700 -1.415 -1.373 362 HB2 LEU 52 1HB LEU 52 4.104 -2.702 -0.050 363 HB3 LEU 52 2HB LEU 52 3.582 -1.036 0.118 364 HG LEU 52 HG LEU 52 2.150 -3.503 1.203 365 HD11 LEU 52 1HD1 LEU 52 2.867 -2.547 3.385 366 HD12 LEU 52 2HD1 LEU 52 3.724 -1.258 2.529 367 HD13 LEU 52 3HD1 LEU 52 4.247 -2.939 2.343 368 HD21 LEU 52 3HD2 LEU 52 1.414 -0.552 1.478 369 HD22 LEU 52 1HD2 LEU 52 0.758 -1.858 2.485 370 HD23 LEU 52 2HD2 LEU 52 0.432 -1.859 0.767 371 H TYR 53 H TYR 53 3.720 -0.019 -1.923 372 HA TYR 53 HA TYR 53 5.705 -1.340 -3.594 373 HB2 TYR 53 1HB TYR 53 5.705 0.344 -5.280 374 HB3 TYR 53 2HB TYR 53 4.131 -0.398 -5.235 375 HD1 TYR 53 2HD TYR 53 2.291 0.949 -3.746 376 HD2 TYR 53 1HD TYR 53 5.872 2.660 -5.442 377 HE1 TYR 53 2HE TYR 53 1.207 3.140 -3.785 378 HE2 TYR 53 1HE TYR 53 4.790 4.863 -5.507 379 HH TYR 53 HH TYR 53 2.898 6.096 -5.000 380 H TRP 54 H TRP 54 7.686 -0.103 -3.528 381 HA TRP 54 HA TRP 54 8.008 1.646 -1.146 382 HB2 TRP 54 1HB TRP 54 9.805 0.060 -1.498 383 HB3 TRP 54 2HB TRP 54 9.898 0.452 -3.215 384 HD1 TRP 54 HD TRP 54 11.891 1.839 -3.779 385 HE1 TRP 54 1HE TRP 54 13.352 3.622 -2.647 386 HE3 TRP 54 3HE TRP 54 9.500 2.081 0.730 387 HZ2 TRP 54 2HZ TRP 54 13.308 5.157 -0.191 388 HZ3 TRP 54 3HZ TRP 54 10.241 3.675 2.452 389 HH2 TRP 54 HH TRP 54 12.115 5.258 1.994 390 H ASP 55 H ASP 55 7.778 3.905 -1.473 391 HA ASP 55 HA ASP 55 8.131 4.864 -4.260 392 HB2 ASP 55 1HB ASP 55 5.872 5.423 -3.547 393 HB3 ASP 55 2HB ASP 55 6.491 6.156 -2.061 394 H GLY 56 H GLY 56 10.210 5.423 -4.362 395 HA2 GLY 56 1HA GLY 56 11.719 6.393 -2.126 396 HA3 GLY 56 2HA GLY 56 12.187 6.387 -3.829 397 H GLU 57 H GLU 57 9.328 8.093 -4.150 398 HA GLU 57 HA GLU 57 10.812 10.622 -4.102 399 HB2 GLU 57 1HB GLU 57 7.848 10.110 -4.587 400 HB3 GLU 57 2HB GLU 57 8.687 11.646 -4.748 401 HG2 GLU 57 1HG GLU 57 10.149 10.582 -6.504 402 HG3 GLU 57 2HG GLU 57 9.099 9.162 -6.449 403 H ARG 58 H ARG 58 7.888 9.272 -2.494 404 HA ARG 58 HA ARG 58 8.031 11.208 -0.351 405 HB2 ARG 58 1HB ARG 58 6.359 8.697 -0.802 406 HB3 ARG 58 2HB ARG 58 6.100 9.840 0.521 407 HG2 ARG 58 1HG ARG 58 5.604 11.642 -1.037 408 HG3 ARG 58 2HG ARG 58 5.937 10.576 -2.432 409 HD2 ARG 58 1HD ARG 58 4.012 9.243 -2.027 410 HD3 ARG 58 2HD ARG 58 3.901 9.751 -0.339 411 HE ARG 58 HE ARG 58 2.679 11.559 -0.877 412 HH11 ARG 58 1HH1 ARG 58 4.097 10.336 -3.940 413 HH12 ARG 58 2HH1 ARG 58 3.076 11.274 -4.936 414 HH21 ARG 58 1HH2 ARG 58 1.584 13.060 -2.214 415 HH22 ARG 58 2HH2 ARG 58 1.861 13.067 -3.916 416 H ARG 59 H ARG 59 9.799 8.421 -0.855 417 HA ARG 59 HA ARG 59 10.884 6.907 0.365 418 HB2 ARG 59 1HB ARG 59 11.395 9.128 2.347 419 HB3 ARG 59 2HB ARG 59 12.310 7.638 2.181 420 HG2 ARG 59 1HG ARG 59 12.923 8.318 -0.154 421 HG3 ARG 59 2HG ARG 59 12.087 9.866 0.133 422 HD2 ARG 59 1HD ARG 59 13.716 9.882 2.284 423 HD3 ARG 59 2HD ARG 59 14.696 8.844 1.246 424 HE ARG 59 HE ARG 59 13.961 10.935 -0.385 425 HH11 ARG 59 1HH1 ARG 59 15.483 10.994 2.858 426 HH12 ARG 59 2HH1 ARG 59 16.555 12.288 2.449 427 HH21 ARG 59 1HH2 ARG 59 15.067 12.894 -0.717 428 HH22 ARG 59 2HH2 ARG 59 15.963 13.616 0.556 429 H THR 60 H THR 60 8.530 6.126 0.551 430 HA THR 60 HA THR 60 8.293 5.105 3.219 431 HB THR 60 HB THR 60 7.139 7.355 3.346 432 HG1 THR 60 1HG THR 60 5.520 6.574 4.555 433 HG21 THR 60 3HG2 THR 60 5.096 6.083 1.513 434 HG22 THR 60 1HG2 THR 60 6.141 7.446 1.112 435 HG23 THR 60 2HG2 THR 60 4.912 7.629 2.375 436 H TYR 61 H TYR 61 6.675 3.330 3.212 437 HA TYR 61 HA TYR 61 6.380 2.148 0.500 438 HB2 TYR 61 1HB TYR 61 5.804 0.913 3.215 439 HB3 TYR 61 2HB TYR 61 5.691 0.116 1.656 440 HD1 TYR 61 1HD TYR 61 8.060 1.600 4.131 441 HD2 TYR 61 2HD TYR 61 7.686 -0.823 0.571 442 HE1 TYR 61 1HE TYR 61 10.363 0.813 4.425 443 HE2 TYR 61 2HE TYR 61 9.968 -1.695 0.928 444 HH TYR 61 HH TYR 61 11.648 -2.021 2.722 445 H VAL 62 H VAL 62 4.397 2.150 -0.449 446 HA VAL 62 HA VAL 62 2.095 3.184 1.093 447 HB VAL 62 HB VAL 62 1.657 4.240 -1.388 448 HG11 VAL 62 1HG1 VAL 62 1.370 5.464 0.682 449 HG12 VAL 62 2HG1 VAL 62 3.113 5.462 0.991 450 HG13 VAL 62 3HG1 VAL 62 2.436 6.408 -0.363 451 HG21 VAL 62 3HG2 VAL 62 3.623 5.381 -2.205 452 HG22 VAL 62 1HG2 VAL 62 4.629 4.747 -0.901 453 HG23 VAL 62 2HG2 VAL 62 4.019 3.651 -2.147 454 HA PRO 63 HA PRO 63 0.003 -0.250 -0.518 455 HB2 PRO 63 1HB PRO 63 -2.608 0.572 -0.737 456 HB3 PRO 63 2HB PRO 63 -1.780 0.275 0.831 457 HG2 PRO 63 1HG PRO 63 -2.220 2.908 -0.600 458 HG3 PRO 63 2HG PRO 63 -2.449 2.525 1.141 459 HD2 PRO 63 1HD PRO 63 -0.211 3.756 0.172 460 HD3 PRO 63 2HD PRO 63 -0.141 2.613 1.553 461 H ALA 64 H ALA 64 -0.130 -1.186 -2.491 462 HA ALA 64 HA ALA 64 -0.183 0.625 -4.811 463 HB1 ALA 64 1HB ALA 64 1.694 -0.965 -4.620 464 HB2 ALA 64 2HB ALA 64 0.547 -2.330 -4.627 465 HB3 ALA 64 3HB ALA 64 0.727 -1.284 -6.062 466 H LEU 65 H LEU 65 -2.503 -0.294 -3.237 467 HA LEU 65 HA LEU 65 -4.010 -2.243 -4.756 468 HB2 LEU 65 1HB LEU 65 -4.731 -0.343 -2.476 469 HB3 LEU 65 2HB LEU 65 -5.969 -1.241 -3.321 470 HG LEU 65 HG LEU 65 -4.527 -3.360 -2.879 471 HD11 LEU 65 1HD1 LEU 65 -2.541 -2.180 -1.983 472 HD12 LEU 65 2HD1 LEU 65 -3.220 -3.341 -0.838 473 HD13 LEU 65 3HD1 LEU 65 -3.511 -1.606 -0.608 474 HD21 LEU 65 3HD2 LEU 65 -5.992 -1.942 -0.632 475 HD22 LEU 65 1HD2 LEU 65 -5.642 -3.676 -0.727 476 HD23 LEU 65 2HD2 LEU 65 -6.745 -2.934 -1.900 477 H GLU 66 H GLU 66 -4.131 1.280 -4.570 478 HA GLU 66 HA GLU 66 -5.891 1.484 -6.916 479 HB2 GLU 66 1HB GLU 66 -7.433 2.993 -5.448 480 HB3 GLU 66 2HB GLU 66 -7.682 1.263 -5.560 481 HG2 GLU 66 1HG GLU 66 -7.862 1.220 -3.362 482 HG3 GLU 66 2HG GLU 66 -6.139 1.465 -3.231 483 H GLN 67 H GLN 67 -4.568 3.285 -4.092 484 HA GLN 67 HA GLN 67 -3.104 4.949 -3.945 485 HB2 GLN 67 1HB GLN 67 -2.053 3.394 -5.926 486 HB3 GLN 67 2HB GLN 67 -2.144 4.932 -6.768 487 HG2 GLN 67 1HG GLN 67 -0.820 4.425 -4.059 488 HG3 GLN 67 2HG GLN 67 0.008 4.421 -5.614 489 HE21 GLN 67 1HE2 GLN 67 -1.158 6.462 -3.014 490 HE22 GLN 67 2HE2 GLN 67 -0.620 7.959 -3.734 491 H SER 68 H SER 68 -5.892 5.374 -4.706 492 HA SER 68 HA SER 68 -5.872 8.178 -5.359 493 HB2 SER 68 1HB SER 68 -6.843 6.152 -7.418 494 HB3 SER 68 2HB SER 68 -7.424 7.826 -7.364 495 HG SER 68 HG SER 68 -4.652 7.386 -7.318 496 H ALA 69 H ALA 69 -7.019 8.423 -3.463 497 HA ALA 69 HA ALA 69 -9.797 7.832 -3.566 498 HB1 ALA 69 1HB ALA 69 -8.961 5.687 -2.544 499 HB2 ALA 69 2HB ALA 69 -8.146 6.659 -1.296 500 HB3 ALA 69 3HB ALA 69 -9.919 6.630 -1.399 501 H ASP 70 H ASP 70 -10.776 8.806 -1.521 502 HA ASP 70 HA ASP 70 -9.949 11.510 -1.519 503 HB2 ASP 70 1HB ASP 70 -12.298 10.455 -1.300 504 HB3 ASP 70 2HB ASP 70 -11.920 10.259 0.417 505 H GLY 71 H GLY 71 -9.054 8.941 0.537 506 HA2 GLY 71 1HA GLY 71 -6.987 9.851 1.833 507 HA3 GLY 71 2HA GLY 71 -8.228 10.666 2.816 508 H HIS 72 H HIS 72 -10.003 8.136 2.299 509 HA HIS 72 HA HIS 72 -9.164 6.494 4.505 510 HB2 HIS 72 1HB HIS 72 -11.092 6.109 2.207 511 HB3 HIS 72 2HB HIS 72 -10.591 4.734 3.181 512 HD1 HIS 72 1HD HIS 72 -11.695 4.428 5.471 513 HD2 HIS 72 2HD HIS 72 -12.350 8.183 3.692 514 HE1 HIS 72 1HE HIS 72 -13.295 5.688 7.027 515 H LYS 73 H LYS 73 -8.826 6.091 0.975 516 HA LYS 73 HA LYS 73 -7.515 4.908 -0.362 517 HB2 LYS 73 1HB LYS 73 -5.154 5.393 -0.171 518 HB3 LYS 73 2HB LYS 73 -6.159 6.792 0.150 519 HG2 LYS 73 1HG LYS 73 -4.277 6.809 1.614 520 HG3 LYS 73 2HG LYS 73 -5.730 6.574 2.575 521 HD2 LYS 73 1HD LYS 73 -5.216 4.188 2.852 522 HD3 LYS 73 2HD LYS 73 -3.850 4.316 1.738 523 HE2 LYS 73 1HE LYS 73 -3.833 6.297 3.943 524 HE3 LYS 73 2HE LYS 73 -3.806 4.621 4.516 525 HZ1 LYS 73 3HZ LYS 73 -1.586 5.476 4.162 526 HZ2 LYS 73 1HZ LYS 73 -1.886 5.713 2.535 527 HZ3 LYS 73 2HZ LYS 73 -1.887 4.201 3.219 528 H GLU 74 H GLU 74 -8.403 3.402 2.130 529 HA GLU 74 HA GLU 74 -6.546 1.279 2.433 530 HB2 GLU 74 1HB GLU 74 -8.330 2.140 4.082 531 HB3 GLU 74 2HB GLU 74 -9.517 1.281 3.085 532 HG2 GLU 74 1HG GLU 74 -8.890 -0.112 4.984 533 HG3 GLU 74 2HG GLU 74 -8.237 -0.855 3.536 534 H THR 75 H THR 75 -9.427 1.717 0.490 535 HA THR 75 HA THR 75 -8.811 -0.495 -1.233 536 HB THR 75 HB THR 75 -11.593 -0.869 -0.258 537 HG1 THR 75 1HG THR 75 -11.305 -1.311 1.681 538 HG21 THR 75 3HG2 THR 75 -9.254 -2.749 -0.740 539 HG22 THR 75 1HG2 THR 75 -10.579 -2.371 -1.857 540 HG23 THR 75 2HG2 THR 75 -10.917 -3.262 -0.363 541 H GLY 76 H GLY 76 -11.136 1.900 -0.061 542 HA2 GLY 76 1HA GLY 76 -11.748 3.112 -2.568 543 HA3 GLY 76 2HA GLY 76 -12.910 1.807 -2.244 544 H ALA 77 H ALA 77 -14.709 3.106 -1.872 545 HA ALA 77 HA ALA 77 -14.791 4.752 0.581 546 HB1 ALA 77 1HB ALA 77 -15.937 6.545 -0.766 547 HB2 ALA 77 2HB ALA 77 -14.245 6.319 -1.232 548 HB3 ALA 77 3HB ALA 77 -15.532 5.642 -2.237 549 HA PRO 78 HA PRO 78 -19.190 3.307 0.207 550 HB2 PRO 78 1HB PRO 78 -20.515 5.225 1.645 551 HB3 PRO 78 2HB PRO 78 -19.530 3.949 2.408 552 HG2 PRO 78 1HG PRO 78 -18.730 6.787 1.783 553 HG3 PRO 78 2HG PRO 78 -18.511 5.894 3.317 554 HD2 PRO 78 1HD PRO 78 -16.500 6.111 1.461 555 HD3 PRO 78 2HD PRO 78 -16.710 4.650 2.460 556 H SER 79 H SER 79 -21.311 5.241 -0.172 557 HA SER 79 HA SER 79 -22.357 6.320 -1.856 558 HB2 SER 79 1HB SER 79 -20.446 7.911 -0.950 559 HB3 SER 79 2HB SER 79 -19.789 7.706 -2.576 560 HG SER 79 HG SER 79 -21.035 9.345 -2.858 561 H LYS 80 H LYS 80 -20.226 3.911 -2.644 562 HA LYS 80 HA LYS 80 -20.310 4.316 -5.550 563 HB2 LYS 80 1HB LYS 80 -18.765 2.643 -5.730 564 HB3 LYS 80 2HB LYS 80 -18.351 3.393 -4.208 565 HG2 LYS 80 1HG LYS 80 -18.133 1.263 -3.522 566 HG3 LYS 80 2HG LYS 80 -19.872 1.350 -3.241 567 HD2 LYS 80 1HD LYS 80 -20.279 0.266 -5.420 568 HD3 LYS 80 2HD LYS 80 -18.582 0.373 -5.846 569 HE2 LYS 80 1HE LYS 80 -19.459 -1.195 -3.407 570 HE3 LYS 80 2HE LYS 80 -19.663 -1.859 -5.040 571 HZ1 LYS 80 3HZ LYS 80 -17.057 -1.022 -3.903 572 HZ2 LYS 80 1HZ LYS 80 -17.315 -1.610 -5.422 573 HZ3 LYS 80 2HZ LYS 80 -17.596 -2.562 -4.149 574 H GLU 81 H GLU 81 -22.706 3.340 -3.480 575 HA GLU 81 HA GLU 81 -24.390 1.933 -5.138 576 HB2 GLU 81 1HB GLU 81 -22.223 0.207 -4.032 577 HB3 GLU 81 2HB GLU 81 -23.769 -0.229 -3.372 578 HG2 GLU 81 1HG GLU 81 -24.502 -0.127 -5.978 579 HG3 GLU 81 2HG GLU 81 -22.781 -0.532 -6.143 580 H GLY 82 H GLY 82 -22.851 1.973 -2.067 581 HA2 GLY 82 1HA GLY 82 -25.072 1.208 -0.447 582 HA3 GLY 82 2HA GLY 82 -23.486 1.735 0.135 583 H LYS 83 H LYS 83 -26.377 3.000 -1.376 584 HA LYS 83 HA LYS 83 -27.843 4.677 -0.859 585 HB2 LYS 83 1HB LYS 83 -26.655 4.871 1.922 586 HB3 LYS 83 2HB LYS 83 -28.269 5.348 1.376 587 HG2 LYS 83 1HG LYS 83 -28.537 2.817 0.738 588 HG3 LYS 83 2HG LYS 83 -27.100 2.579 1.750 589 HD2 LYS 83 1HD LYS 83 -28.351 3.720 3.630 590 HD3 LYS 83 2HD LYS 83 -29.803 3.665 2.623 591 HE2 LYS 83 1HE LYS 83 -28.142 1.288 3.599 592 HE3 LYS 83 2HE LYS 83 -29.752 1.756 4.172 593 HZ1 LYS 83 3HZ LYS 83 -30.528 1.349 1.854 594 HZ2 LYS 83 1HZ LYS 83 -30.054 0.007 2.635 595 HZ3 LYS 83 2HZ LYS 83 -29.059 0.687 1.504 596 H GLU 84 H GLU 84 -26.052 5.291 -2.388 597 HA GLU 84 HA GLU 84 -24.454 7.625 -1.962 598 HB2 GLU 84 1HB GLU 84 -24.915 7.610 -4.620 599 HB3 GLU 84 2HB GLU 84 -23.668 6.731 -3.783 600 HG2 GLU 84 1HG GLU 84 -24.669 5.362 -5.485 601 HG3 GLU 84 2HG GLU 84 -24.890 4.650 -3.896 602 H LYS 85 H LYS 85 -27.679 7.077 -3.494 603 HA LYS 85 HA LYS 85 -28.179 10.028 -3.289 604 HB2 LYS 85 1HB LYS 85 -28.932 10.042 -5.525 605 HB3 LYS 85 2HB LYS 85 -27.408 9.169 -5.501 606 HG2 LYS 85 1HG LYS 85 -28.895 7.010 -5.380 607 HG3 LYS 85 2HG LYS 85 -30.227 8.061 -5.852 608 HD2 LYS 85 1HD LYS 85 -29.059 8.726 -7.884 609 HD3 LYS 85 2HD LYS 85 -27.622 7.800 -7.399 610 HE2 LYS 85 1HE LYS 85 -28.962 5.713 -7.474 611 HE3 LYS 85 2HE LYS 85 -30.364 6.652 -8.039 612 HZ1 LYS 85 3HZ LYS 85 -29.224 5.720 -9.925 613 HZ2 LYS 85 1HZ LYS 85 -27.789 6.314 -9.419 614 HZ3 LYS 85 2HZ LYS 85 -28.933 7.334 -9.945 615 H LYS 86 H LYS 86 -29.282 7.520 -1.741 616 HA LYS 86 HA LYS 86 -32.117 8.426 -1.830 617 HB2 LYS 86 1HB LYS 86 -31.200 5.528 -1.770 618 HB3 LYS 86 2HB LYS 86 -32.857 6.056 -1.513 619 HG2 LYS 86 1HG LYS 86 -31.269 6.440 -4.095 620 HG3 LYS 86 2HG LYS 86 -32.394 5.122 -3.775 621 HD2 LYS 86 1HD LYS 86 -34.277 6.702 -3.580 622 HD3 LYS 86 2HD LYS 86 -33.177 8.070 -3.779 623 HE2 LYS 86 1HE LYS 86 -34.280 7.672 -5.880 624 HE3 LYS 86 2HE LYS 86 -32.555 7.324 -6.029 625 HZ1 LYS 86 3HZ LYS 86 -33.080 4.967 -5.853 626 HZ2 LYS 86 1HZ LYS 86 -33.904 5.640 -7.103 627 HZ3 LYS 86 2HZ LYS 86 -34.688 5.293 -5.704 628 H GLU 87 H GLU 87 -31.796 9.658 0.059 629 HA GLU 87 HA GLU 87 -30.351 8.483 2.232 630 HB2 GLU 87 1HB GLU 87 -30.854 11.080 1.466 631 HB3 GLU 87 2HB GLU 87 -32.007 10.915 2.773 632 HG2 GLU 87 1HG GLU 87 -29.019 10.941 2.809 633 HG3 GLU 87 2HG GLU 87 -30.145 11.791 3.842 634 H LYS 88 H LYS 88 -33.222 7.453 1.311 635 HA LYS 88 HA LYS 88 -35.198 6.778 2.226 636 HB2 LYS 88 1HB LYS 88 -35.055 5.440 4.331 637 HB3 LYS 88 2HB LYS 88 -33.867 5.003 3.107 638 HG2 LYS 88 1HG LYS 88 -32.153 6.257 4.207 639 HG3 LYS 88 2HG LYS 88 -33.297 6.813 5.465 640 HD2 LYS 88 1HD LYS 88 -33.349 4.426 6.248 641 HD3 LYS 88 2HD LYS 88 -32.084 4.066 5.050 642 HE2 LYS 88 1HE LYS 88 -31.959 6.120 7.318 643 HE3 LYS 88 2HE LYS 88 -31.031 4.615 7.217 644 HZ1 LYS 88 3HZ LYS 88 -30.659 6.896 5.322 645 HZ2 LYS 88 1HZ LYS 88 -29.755 5.504 5.487 646 HZ3 LYS 88 2HZ LYS 88 -29.751 6.611 6.637 647 H HIS 89 H HIS 89 -35.929 7.042 5.193 648 HA HIS 89 HA HIS 89 -35.983 9.935 5.498 649 HB2 HIS 89 1HB HIS 89 -38.339 10.036 6.018 650 HB3 HIS 89 2HB HIS 89 -38.056 9.612 4.340 651 HD1 HIS 89 1HD HIS 89 -40.849 9.041 5.741 652 HD2 HIS 89 2HD HIS 89 -37.687 6.305 5.309 653 HE1 HIS 89 1HE HIS 89 -41.881 6.707 5.796 654 H LYS 90 H LYS 90 -34.240 8.500 6.687 655 HA LYS 90 HA LYS 90 -33.500 7.011 8.222 656 HB2 LYS 90 1HB LYS 90 -34.483 8.764 9.903 657 HB3 LYS 90 2HB LYS 90 -35.812 7.632 10.073 658 HG2 LYS 90 1HG LYS 90 -34.594 6.799 11.764 659 HG3 LYS 90 2HG LYS 90 -33.711 5.926 10.522 660 HD2 LYS 90 1HD LYS 90 -31.972 7.695 10.493 661 HD3 LYS 90 2HD LYS 90 -32.881 8.580 11.742 662 HE2 LYS 90 1HE LYS 90 -32.745 6.527 13.209 663 HE3 LYS 90 2HE LYS 90 -31.704 5.763 11.997 664 HZ1 LYS 90 3HZ LYS 90 -31.041 8.258 13.464 665 HZ2 LYS 90 1HZ LYS 90 -30.051 7.506 12.400 666 HZ3 LYS 90 2HZ LYS 90 -30.433 6.772 13.788 667 H THR 91 H THR 91 -34.958 5.046 9.748 668 HA THR 91 HA THR 91 -37.475 4.527 8.712 669 HB THR 91 HB THR 91 -35.681 2.078 8.519 670 HG1 THR 91 1HG THR 91 -36.017 4.059 6.584 671 HG21 THR 91 3HG2 THR 91 -38.151 1.819 8.632 672 HG22 THR 91 1HG2 THR 91 -37.504 1.261 7.083 673 HG23 THR 91 2HG2 THR 91 -38.327 2.832 7.190 674 H LYS 92 H LYS 92 -38.351 4.470 10.874 675 HA LYS 92 HA LYS 92 -37.364 2.527 12.670 676 HB2 LYS 92 1HB LYS 92 -35.871 4.593 13.133 677 HB3 LYS 92 2HB LYS 92 -37.320 5.448 13.639 678 HG2 LYS 92 1HG LYS 92 -36.684 2.761 14.897 679 HG3 LYS 92 2HG LYS 92 -35.658 4.121 15.301 680 HD2 LYS 92 1HD LYS 92 -37.345 3.808 17.004 681 HD3 LYS 92 2HD LYS 92 -37.550 5.387 16.216 682 HE2 LYS 92 1HE LYS 92 -39.412 4.593 14.920 683 HE3 LYS 92 2HE LYS 92 -39.089 2.913 15.351 684 HZ1 LYS 92 3HZ LYS 92 -39.815 3.376 17.565 685 HZ2 LYS 92 1HZ LYS 92 -40.954 3.792 16.448 686 HZ3 LYS 92 2HZ LYS 92 -40.086 4.983 17.187 Start of MODEL 6 1 H1 GLY 1 H GLY 1 32.234 13.261 12.185 2 HA2 GLY 1 1HA GLY 1 34.380 12.241 11.628 3 HA3 GLY 1 2HA GLY 1 33.073 11.460 10.689 4 H HIS 2 H HIS 2 34.654 10.944 8.911 5 HA HIS 2 HA HIS 2 35.696 13.104 7.263 6 HB2 HIS 2 1HB HIS 2 34.900 10.216 6.680 7 HB3 HIS 2 2HB HIS 2 35.581 11.311 5.486 8 HD1 HIS 2 1HD HIS 2 37.519 9.295 5.394 9 HD2 HIS 2 2HD HIS 2 37.402 11.849 8.750 10 HE1 HIS 2 1HE HIS 2 39.770 9.076 6.576 11 H MET 3 H MET 3 32.561 11.723 7.902 12 HA MET 3 HA MET 3 31.255 13.726 6.234 13 HB2 MET 3 1HB MET 3 29.551 12.052 5.551 14 HB3 MET 3 2HB MET 3 31.147 11.681 4.908 15 HG2 MET 3 1HG MET 3 31.402 10.066 6.927 16 HG3 MET 3 2HG MET 3 29.662 10.274 7.149 17 HE1 MET 3 3HE MET 3 31.167 7.422 6.696 18 HE2 MET 3 1HE MET 3 29.426 7.657 6.997 19 HE3 MET 3 2HE MET 3 29.960 6.671 5.625 20 H GLN 4 H GLN 4 28.834 13.719 7.089 21 HA GLN 4 HA GLN 4 28.230 12.188 9.353 22 HB2 GLN 4 1HB GLN 4 28.297 15.226 9.725 23 HB3 GLN 4 2HB GLN 4 27.098 14.215 10.513 24 HG2 GLN 4 1HG GLN 4 29.335 12.831 11.201 25 HG3 GLN 4 2HG GLN 4 29.999 14.465 11.099 26 HE21 GLN 4 1HE2 GLN 4 27.540 15.862 12.117 27 HE22 GLN 4 2HE2 GLN 4 27.418 15.376 13.792 28 H GLU 5 H GLU 5 26.301 11.429 8.711 29 HA GLU 5 HA GLU 5 24.386 13.275 7.382 30 HB2 GLU 5 1HB GLU 5 25.737 11.478 5.935 31 HB3 GLU 5 2HB GLU 5 24.469 10.404 6.508 32 HG2 GLU 5 1HG GLU 5 22.772 11.598 5.400 33 HG3 GLU 5 2HG GLU 5 23.807 13.027 5.174 34 H SER 6 H SER 6 24.354 9.890 8.382 35 HA SER 6 HA SER 6 23.189 8.718 9.928 36 HB2 SER 6 1HB SER 6 24.371 10.502 11.384 37 HB3 SER 6 2HB SER 6 22.766 11.214 11.576 38 HG SER 6 HG SER 6 23.440 9.791 13.217 39 H TYR 7 H TYR 7 21.880 9.893 7.577 40 HA TYR 7 HA TYR 7 19.259 9.218 8.309 41 HB2 TYR 7 1HB TYR 7 18.101 11.109 7.583 42 HB3 TYR 7 2HB TYR 7 19.282 11.763 8.691 43 HD1 TYR 7 2HD TYR 7 18.145 11.554 5.179 44 HD2 TYR 7 1HD TYR 7 21.158 13.167 7.811 45 HE1 TYR 7 2HE TYR 7 18.946 13.003 3.355 46 HE2 TYR 7 1HE TYR 7 21.959 14.642 5.985 47 HH TYR 7 HH TYR 7 20.297 14.993 2.924 48 H SER 8 H SER 8 18.037 8.721 6.282 49 HA SER 8 HA SER 8 19.507 9.136 3.791 50 HB2 SER 8 1HB SER 8 20.077 6.819 4.936 51 HB3 SER 8 2HB SER 8 18.495 6.334 4.286 52 HG SER 8 HG SER 8 20.662 7.528 2.857 53 H GLN 9 H GLN 9 17.992 7.826 2.035 54 HA GLN 9 HA GLN 9 15.260 8.575 2.501 55 HB2 GLN 9 1HB GLN 9 14.821 9.096 0.253 56 HB3 GLN 9 2HB GLN 9 16.137 10.114 0.794 57 HG2 GLN 9 1HG GLN 9 16.546 7.558 -0.827 58 HG3 GLN 9 2HG GLN 9 16.317 9.157 -1.526 59 HE21 GLN 9 1HE2 GLN 9 17.896 10.802 -1.299 60 HE22 GLN 9 2HE2 GLN 9 19.533 10.425 -0.744 61 H TYR 10 H TYR 10 14.125 7.074 0.401 62 HA TYR 10 HA TYR 10 14.387 4.496 1.809 63 HB2 TYR 10 1HB TYR 10 12.422 5.737 -0.086 64 HB3 TYR 10 2HB TYR 10 12.415 4.008 0.128 65 HD1 TYR 10 1HD TYR 10 11.873 7.262 1.885 66 HD2 TYR 10 2HD TYR 10 11.650 2.966 2.185 67 HE1 TYR 10 1HE TYR 10 10.469 7.480 3.892 68 HE2 TYR 10 2HE TYR 10 10.248 3.166 4.201 69 HH TYR 10 HH TYR 10 9.338 4.625 5.774 70 HA PRO 11 HA PRO 11 16.690 2.452 -1.458 71 HB2 PRO 11 1HB PRO 11 15.550 -0.035 -1.603 72 HB3 PRO 11 2HB PRO 11 16.587 0.501 -0.247 73 HG2 PRO 11 1HG PRO 11 13.562 0.470 -0.377 74 HG3 PRO 11 2HG PRO 11 14.628 -0.111 0.947 75 HD2 PRO 11 1HD PRO 11 13.458 2.324 1.030 76 HD3 PRO 11 2HD PRO 11 15.110 2.081 1.651 77 H VAL 12 H VAL 12 16.309 1.429 -3.728 78 HA VAL 12 HA VAL 12 13.778 2.453 -4.921 79 HB VAL 12 HB VAL 12 16.471 2.123 -6.246 80 HG11 VAL 12 1HG1 VAL 12 15.417 3.392 -8.090 81 HG12 VAL 12 2HG1 VAL 12 14.566 1.872 -7.811 82 HG13 VAL 12 3HG1 VAL 12 13.865 3.394 -7.220 83 HG21 VAL 12 3HG2 VAL 12 16.476 4.605 -6.294 84 HG22 VAL 12 1HG2 VAL 12 15.032 4.627 -5.260 85 HG23 VAL 12 2HG2 VAL 12 16.570 3.981 -4.661 86 HA PRO 13 HA PRO 13 13.526 -2.152 -5.190 87 HB2 PRO 13 1HB PRO 13 10.874 -2.385 -4.754 88 HB3 PRO 13 2HB PRO 13 12.021 -2.106 -3.403 89 HG2 PRO 13 1HG PRO 13 10.326 -0.047 -4.873 90 HG3 PRO 13 2HG PRO 13 10.491 -0.292 -3.102 91 HD2 PRO 13 1HD PRO 13 11.967 1.558 -4.432 92 HD3 PRO 13 2HD PRO 13 12.659 0.592 -3.080 93 H ASP 14 H ASP 14 11.755 -3.436 -6.611 94 HA ASP 14 HA ASP 14 10.755 -1.868 -8.893 95 HB2 ASP 14 1HB ASP 14 13.399 -2.286 -9.092 96 HB3 ASP 14 2HB ASP 14 12.950 -3.922 -9.471 97 H VAL 15 H VAL 15 9.564 -3.598 -7.148 98 HA VAL 15 HA VAL 15 8.690 -5.676 -6.654 99 HB VAL 15 HB VAL 15 7.068 -4.252 -7.620 100 HG11 VAL 15 1HG1 VAL 15 7.593 -5.666 -10.231 101 HG12 VAL 15 2HG1 VAL 15 6.215 -4.582 -9.897 102 HG13 VAL 15 3HG1 VAL 15 7.870 -3.962 -9.809 103 HG21 VAL 15 3HG2 VAL 15 5.304 -5.942 -8.178 104 HG22 VAL 15 1HG2 VAL 15 6.521 -7.204 -8.042 105 HG23 VAL 15 2HG2 VAL 15 6.141 -6.182 -6.656 106 H SER 16 H SER 16 11.188 -5.939 -7.990 107 HA SER 16 HA SER 16 11.051 -8.599 -9.313 108 HB2 SER 16 1HB SER 16 11.966 -6.540 -10.508 109 HB3 SER 16 2HB SER 16 13.314 -6.602 -9.367 110 HG SER 16 HG SER 16 12.548 -8.376 -11.426 111 H THR 17 H THR 17 11.949 -6.954 -6.434 112 HA THR 17 HA THR 17 13.643 -9.217 -5.537 113 HB THR 17 HB THR 17 14.774 -7.719 -4.142 114 HG1 THR 17 1HG THR 17 13.143 -6.686 -3.153 115 HG21 THR 17 3HG2 THR 17 15.295 -7.222 -6.539 116 HG22 THR 17 1HG2 THR 17 15.545 -5.850 -5.453 117 HG23 THR 17 2HG2 THR 17 14.133 -5.875 -6.507 118 H TYR 18 H TYR 18 10.456 -8.557 -5.464 119 HA TYR 18 HA TYR 18 9.990 -8.420 -2.575 120 HB2 TYR 18 1HB TYR 18 8.153 -8.340 -5.001 121 HB3 TYR 18 2HB TYR 18 7.571 -8.339 -3.373 122 HD1 TYR 18 2HD TYR 18 10.584 -6.438 -3.220 123 HD2 TYR 18 1HD TYR 18 6.458 -6.273 -4.457 124 HE1 TYR 18 2HE TYR 18 10.682 -4.023 -3.171 125 HE2 TYR 18 1HE TYR 18 6.520 -3.813 -4.338 126 HH TYR 18 HH TYR 18 8.939 -2.197 -2.610 127 H GLN 19 H GLN 19 8.072 -9.715 -1.818 128 HA GLN 19 HA GLN 19 8.555 -12.633 -2.312 129 HB2 GLN 19 1HB GLN 19 8.231 -10.990 0.206 130 HB3 GLN 19 2HB GLN 19 7.880 -12.732 0.172 131 HG2 GLN 19 1HG GLN 19 10.081 -13.296 -0.494 132 HG3 GLN 19 2HG GLN 19 10.499 -11.624 -0.893 133 HE21 GLN 19 1HE2 GLN 19 12.266 -12.807 0.502 134 HE22 GLN 19 2HE2 GLN 19 12.313 -12.201 2.175 135 H TYR 20 H TYR 20 6.847 -13.066 -3.649 136 HA TYR 20 HA TYR 20 4.158 -12.180 -3.303 137 HB2 TYR 20 1HB TYR 20 5.033 -13.298 -5.296 138 HB3 TYR 20 2HB TYR 20 5.310 -14.774 -4.373 139 HD1 TYR 20 1HD TYR 20 2.685 -12.384 -5.496 140 HD2 TYR 20 2HD TYR 20 3.459 -16.309 -3.888 141 HE1 TYR 20 1HE TYR 20 0.490 -13.197 -6.387 142 HE2 TYR 20 2HE TYR 20 1.277 -17.101 -4.627 143 HH TYR 20 HH TYR 20 -0.773 -15.140 -6.839 144 H ASP 21 H ASP 21 2.451 -12.975 -2.134 145 HA ASP 21 HA ASP 21 2.964 -15.279 -0.312 146 HB2 ASP 21 1HB ASP 21 2.556 -12.817 0.706 147 HB3 ASP 21 2HB ASP 21 0.899 -13.275 0.519 148 H GLU 22 H GLU 22 1.824 -16.922 -0.991 149 HA GLU 22 HA GLU 22 -0.376 -16.788 -2.842 150 HB2 GLU 22 1HB GLU 22 -0.560 -19.274 -1.938 151 HB3 GLU 22 2HB GLU 22 0.707 -18.781 -3.068 152 HG2 GLU 22 1HG GLU 22 2.315 -18.631 -1.295 153 HG3 GLU 22 2HG GLU 22 1.071 -18.890 -0.050 154 H THR 23 H THR 23 -0.211 -16.551 0.620 155 HA THR 23 HA THR 23 -2.812 -17.437 1.308 156 HB THR 23 HB THR 23 -0.864 -16.816 2.822 157 HG1 THR 23 1HG THR 23 -2.313 -17.175 4.158 158 HG21 THR 23 3HG2 THR 23 -0.602 -14.648 3.695 159 HG22 THR 23 1HG2 THR 23 -2.086 -14.047 2.922 160 HG23 THR 23 2HG2 THR 23 -0.666 -14.412 1.941 161 H SER 24 H SER 24 -1.794 -14.407 -0.181 162 HA SER 24 HA SER 24 -4.648 -13.512 -0.315 163 HB2 SER 24 1HB SER 24 -2.192 -11.849 0.375 164 HB3 SER 24 2HB SER 24 -3.810 -11.193 0.070 165 HG SER 24 HG SER 24 -3.344 -11.572 2.324 166 H GLY 25 H GLY 25 -1.525 -13.827 -1.956 167 HA2 GLY 25 1HA GLY 25 -1.310 -14.000 -4.260 168 HA3 GLY 25 2HA GLY 25 -2.860 -13.180 -4.512 169 H TYR 26 H TYR 26 -0.724 -11.711 -2.166 170 HA TYR 26 HA TYR 26 -0.361 -9.404 -4.029 171 HB2 TYR 26 1HB TYR 26 -0.619 -9.685 -1.008 172 HB3 TYR 26 2HB TYR 26 0.230 -8.323 -1.695 173 HD1 TYR 26 1HD TYR 26 -3.016 -10.030 -2.756 174 HD2 TYR 26 2HD TYR 26 -1.012 -6.391 -1.541 175 HE1 TYR 26 1HE TYR 26 -5.047 -8.775 -3.203 176 HE2 TYR 26 2HE TYR 26 -3.073 -5.134 -1.923 177 HH TYR 26 HH TYR 26 -5.317 -5.289 -2.458 178 H TYR 27 H TYR 27 1.706 -8.194 -3.499 179 HA TYR 27 HA TYR 27 3.950 -10.125 -3.171 180 HB2 TYR 27 1HB TYR 27 3.825 -7.376 -4.477 181 HB3 TYR 27 2HB TYR 27 5.307 -8.287 -4.195 182 HD1 TYR 27 2HD TYR 27 5.681 -10.512 -5.277 183 HD2 TYR 27 1HD TYR 27 2.316 -8.021 -6.312 184 HE1 TYR 27 2HE TYR 27 5.335 -11.861 -7.298 185 HE2 TYR 27 1HE TYR 27 1.966 -9.364 -8.374 186 HH TYR 27 HH TYR 27 2.781 -11.053 -9.742 187 H TYR 28 H TYR 28 5.402 -9.649 -1.407 188 HA TYR 28 HA TYR 28 4.702 -7.410 0.438 189 HB2 TYR 28 1HB TYR 28 4.465 -9.525 1.558 190 HB3 TYR 28 2HB TYR 28 5.982 -10.115 0.912 191 HD1 TYR 28 1HD TYR 28 4.763 -7.166 2.958 192 HD2 TYR 28 2HD TYR 28 7.839 -10.116 2.291 193 HE1 TYR 28 1HE TYR 28 6.057 -6.249 4.861 194 HE2 TYR 28 2HE TYR 28 9.130 -9.221 4.162 195 HH TYR 28 HH TYR 28 9.326 -7.507 5.708 196 H ASP 29 H ASP 29 6.306 -6.011 0.978 197 HA ASP 29 HA ASP 29 8.766 -6.065 -0.656 198 HB2 ASP 29 1HB ASP 29 7.348 -4.172 -1.069 199 HB3 ASP 29 2HB ASP 29 7.464 -3.668 0.601 200 HA PRO 30 HA PRO 30 10.356 -6.877 3.612 201 HB2 PRO 30 1HB PRO 30 12.710 -8.042 2.767 202 HB3 PRO 30 2HB PRO 30 11.165 -8.928 2.980 203 HG2 PRO 30 1HG PRO 30 12.392 -7.825 0.449 204 HG3 PRO 30 2HG PRO 30 11.638 -9.432 0.709 205 HD2 PRO 30 1HD PRO 30 10.307 -7.368 -0.434 206 HD3 PRO 30 2HD PRO 30 9.460 -8.508 0.652 207 H GLN 31 H GLN 31 11.364 -4.868 0.998 208 HA GLN 31 HA GLN 31 13.871 -3.967 2.218 209 HB2 GLN 31 1HB GLN 31 12.187 -2.518 0.124 210 HB3 GLN 31 2HB GLN 31 13.876 -2.244 0.497 211 HG2 GLN 31 1HG GLN 31 12.766 -4.745 -0.845 212 HG3 GLN 31 2HG GLN 31 13.578 -3.402 -1.640 213 HE21 GLN 31 1HE2 GLN 31 14.916 -5.354 -2.439 214 HE22 GLN 31 2HE2 GLN 31 16.195 -5.910 -1.339 215 H THR 32 H THR 32 10.458 -3.128 2.322 216 HA THR 32 HA THR 32 11.022 -0.623 3.835 217 HB THR 32 HB THR 32 8.741 -0.033 2.853 218 HG1 THR 32 1HG THR 32 8.932 -1.657 0.731 219 HG21 THR 32 3HG2 THR 32 10.812 0.873 1.860 220 HG22 THR 32 1HG2 THR 32 9.670 0.418 0.573 221 HG23 THR 32 2HG2 THR 32 11.052 -0.614 0.915 222 H GLY 33 H GLY 33 8.736 -3.310 3.424 223 HA2 GLY 33 1HA GLY 33 7.745 -4.537 5.218 224 HA3 GLY 33 2HA GLY 33 7.852 -3.103 6.269 225 H LEU 34 H LEU 34 6.832 -3.453 2.835 226 HA LEU 34 HA LEU 34 4.065 -2.541 3.508 227 HB2 LEU 34 1HB LEU 34 5.651 -1.830 1.025 228 HB3 LEU 34 2HB LEU 34 4.031 -1.304 1.405 229 HG LEU 34 HG LEU 34 6.391 -0.542 3.186 230 HD11 LEU 34 1HD1 LEU 34 6.876 0.221 0.923 231 HD12 LEU 34 2HD1 LEU 34 6.486 1.579 1.980 232 HD13 LEU 34 3HD1 LEU 34 5.277 0.986 0.813 233 HD21 LEU 34 3HD2 LEU 34 4.210 -0.290 4.241 234 HD22 LEU 34 1HD2 LEU 34 3.574 0.556 2.815 235 HD23 LEU 34 2HD2 LEU 34 4.833 1.309 3.820 236 H TYR 35 H TYR 35 2.561 -3.105 1.621 237 HA TYR 35 HA TYR 35 3.396 -5.563 0.170 238 HB2 TYR 35 1HB TYR 35 0.681 -4.794 1.294 239 HB3 TYR 35 2HB TYR 35 0.883 -5.981 0.026 240 HD1 TYR 35 2HD TYR 35 1.949 -5.282 3.583 241 HD2 TYR 35 1HD TYR 35 1.470 -8.215 0.447 242 HE1 TYR 35 2HE TYR 35 2.516 -7.083 5.178 243 HE2 TYR 35 1HE TYR 35 1.992 -10.014 2.032 244 HH TYR 35 HH TYR 35 2.945 -10.483 4.136 245 H TYR 36 H TYR 36 2.325 -5.694 -1.980 246 HA TYR 36 HA TYR 36 1.439 -3.172 -3.247 247 HB2 TYR 36 1HB TYR 36 3.852 -3.174 -3.596 248 HB3 TYR 36 2HB TYR 36 3.842 -4.882 -3.997 249 HD1 TYR 36 1HD TYR 36 2.959 -1.508 -5.312 250 HD2 TYR 36 2HD TYR 36 3.325 -5.721 -6.155 251 HE1 TYR 36 1HE TYR 36 2.861 -1.029 -7.750 252 HE2 TYR 36 2HE TYR 36 3.157 -5.253 -8.573 253 HH TYR 36 HH TYR 36 3.562 -3.428 -10.209 254 H ASP 37 H ASP 37 0.231 -3.636 -5.170 255 HA ASP 37 HA ASP 37 -0.490 -6.523 -5.603 256 HB2 ASP 37 1HB ASP 37 -2.320 -5.255 -4.518 257 HB3 ASP 37 2HB ASP 37 -2.240 -4.080 -5.838 258 HA PRO 38 HA PRO 38 0.966 -5.484 -9.646 259 HB2 PRO 38 1HB PRO 38 0.061 -7.556 -11.185 260 HB3 PRO 38 2HB PRO 38 1.293 -7.779 -9.908 261 HG2 PRO 38 1HG PRO 38 -1.735 -8.121 -9.640 262 HG3 PRO 38 2HG PRO 38 -0.448 -9.331 -9.255 263 HD2 PRO 38 1HD PRO 38 -1.502 -7.791 -7.346 264 HD3 PRO 38 2HD PRO 38 0.256 -8.049 -7.372 265 H ASN 39 H ASN 39 -2.584 -5.883 -9.203 266 HA ASN 39 HA ASN 39 -3.100 -4.509 -11.763 267 HB2 ASN 39 1HB ASN 39 -4.695 -6.092 -9.752 268 HB3 ASN 39 2HB ASN 39 -5.507 -4.847 -10.667 269 HD21 ASN 39 1HD2 ASN 39 -5.220 -8.089 -10.758 270 HD22 ASN 39 2HD2 ASN 39 -5.248 -8.288 -12.476 271 H SER 40 H SER 40 -2.846 -3.886 -8.377 272 HA SER 40 HA SER 40 -3.670 -1.051 -8.917 273 HB2 SER 40 1HB SER 40 -4.663 -0.873 -6.755 274 HB3 SER 40 2HB SER 40 -5.469 -2.089 -7.747 275 HG SER 40 HG SER 40 -3.429 -2.744 -5.935 276 H GLN 41 H GLN 41 -1.657 -0.378 -9.297 277 HA GLN 41 HA GLN 41 0.732 -1.033 -8.164 278 HB2 GLN 41 1HB GLN 41 -0.280 1.305 -9.730 279 HB3 GLN 41 2HB GLN 41 1.305 1.444 -8.977 280 HG2 GLN 41 1HG GLN 41 1.587 0.740 -11.212 281 HG3 GLN 41 2HG GLN 41 2.153 -0.487 -10.112 282 HE21 GLN 41 1HE2 GLN 41 0.805 -2.451 -9.861 283 HE22 GLN 41 2HE2 GLN 41 -0.270 -2.941 -11.154 284 H TYR 42 H TYR 42 -1.551 0.476 -6.282 285 HA TYR 42 HA TYR 42 0.138 2.322 -4.765 286 HB2 TYR 42 1HB TYR 42 -2.531 1.056 -4.090 287 HB3 TYR 42 2HB TYR 42 -1.850 2.431 -3.272 288 HD1 TYR 42 2HD TYR 42 -1.295 4.531 -4.824 289 HD2 TYR 42 1HD TYR 42 -4.006 1.374 -5.925 290 HE1 TYR 42 2HE TYR 42 -2.298 6.005 -6.533 291 HE2 TYR 42 1HE TYR 42 -5.015 2.820 -7.646 292 HH TYR 42 HH TYR 42 -4.861 4.813 -8.793 293 H TYR 43 H TYR 43 0.599 1.853 -2.498 294 HA TYR 43 HA TYR 43 1.378 -0.994 -2.101 295 HB2 TYR 43 1HB TYR 43 2.569 1.651 -1.197 296 HB3 TYR 43 2HB TYR 43 2.898 0.161 -0.329 297 HD1 TYR 43 2HD TYR 43 3.080 1.614 -3.813 298 HD2 TYR 43 1HD TYR 43 4.572 -1.321 -1.036 299 HE1 TYR 43 2HE TYR 43 4.918 1.090 -5.365 300 HE2 TYR 43 1HE TYR 43 6.405 -1.852 -2.541 301 HH TYR 43 HH TYR 43 7.504 -1.243 -4.489 302 H TYR 44 H TYR 44 0.634 -2.009 -0.316 303 HA TYR 44 HA TYR 44 -1.389 -0.598 1.374 304 HB2 TYR 44 1HB TYR 44 -2.297 -2.585 0.438 305 HB3 TYR 44 2HB TYR 44 -0.909 -3.529 0.864 306 HD1 TYR 44 2HD TYR 44 -3.713 -1.533 2.360 307 HD2 TYR 44 1HD TYR 44 -0.689 -4.517 3.059 308 HE1 TYR 44 2HE TYR 44 -4.836 -2.172 4.497 309 HE2 TYR 44 1HE TYR 44 -1.753 -5.117 5.189 310 HH TYR 44 HH TYR 44 -4.910 -3.914 6.241 311 H ASN 45 H ASN 45 -0.797 0.140 3.142 312 HA ASN 45 HA ASN 45 1.773 -0.595 4.463 313 HB2 ASN 45 1HB ASN 45 1.534 1.723 3.905 314 HB3 ASN 45 2HB ASN 45 -0.084 1.808 4.604 315 HD21 ASN 45 1HD2 ASN 45 0.157 3.180 6.372 316 HD22 ASN 45 2HD2 ASN 45 1.470 2.963 7.538 317 H ALA 46 H ALA 46 0.954 -2.552 5.329 318 HA ALA 46 HA ALA 46 -1.427 -2.997 6.723 319 HB1 ALA 46 1HB ALA 46 0.336 -4.732 6.146 320 HB2 ALA 46 2HB ALA 46 1.282 -4.125 7.523 321 HB3 ALA 46 3HB ALA 46 -0.309 -4.847 7.802 322 H GLN 47 H GLN 47 1.579 -1.489 7.896 323 HA GLN 47 HA GLN 47 1.412 -1.463 10.536 324 HB2 GLN 47 1HB GLN 47 2.991 -0.320 8.638 325 HB3 GLN 47 2HB GLN 47 2.122 1.125 9.186 326 HG2 GLN 47 1HG GLN 47 2.723 0.289 11.565 327 HG3 GLN 47 2HG GLN 47 3.833 -0.814 10.729 328 HE21 GLN 47 1HE2 GLN 47 5.815 0.136 9.801 329 HE22 GLN 47 2HE2 GLN 47 6.214 1.820 10.090 330 H SER 48 H SER 48 -0.455 0.744 8.410 331 HA SER 48 HA SER 48 -2.203 1.388 10.705 332 HB2 SER 48 1HB SER 48 -1.209 3.395 8.640 333 HB3 SER 48 2HB SER 48 -2.207 3.683 10.070 334 HG SER 48 HG SER 48 -0.302 2.733 11.238 335 H GLN 49 H GLN 49 -2.249 -0.545 8.442 336 HA GLN 49 HA GLN 49 -3.298 -1.221 6.651 337 HB2 GLN 49 1HB GLN 49 -5.866 -1.272 6.950 338 HB3 GLN 49 2HB GLN 49 -4.736 -2.211 7.924 339 HG2 GLN 49 1HG GLN 49 -4.841 -0.743 9.757 340 HG3 GLN 49 2HG GLN 49 -5.661 0.481 8.780 341 HE21 GLN 49 1HE2 GLN 49 -6.538 -0.556 11.376 342 HE22 GLN 49 2HE2 GLN 49 -8.176 -1.157 11.064 343 H GLN 50 H GLN 50 -2.423 1.449 6.295 344 HA GLN 50 HA GLN 50 -4.445 2.813 4.695 345 HB2 GLN 50 1HB GLN 50 -2.522 3.660 6.540 346 HB3 GLN 50 2HB GLN 50 -1.736 4.035 5.020 347 HG2 GLN 50 1HG GLN 50 -3.093 5.904 5.986 348 HG3 GLN 50 2HG GLN 50 -3.566 5.452 4.347 349 HE21 GLN 50 1HE2 GLN 50 -4.539 3.566 7.315 350 HE22 GLN 50 2HE2 GLN 50 -6.211 3.951 7.152 351 H TYR 51 H TYR 51 -3.516 4.073 2.666 352 HA TYR 51 HA TYR 51 -2.099 2.071 1.021 353 HB2 TYR 51 1HB TYR 51 -4.423 3.914 0.395 354 HB3 TYR 51 2HB TYR 51 -3.363 3.290 -0.851 355 HD1 TYR 51 1HD TYR 51 -4.868 1.617 2.177 356 HD2 TYR 51 2HD TYR 51 -4.471 1.650 -2.108 357 HE1 TYR 51 1HE TYR 51 -6.319 -0.317 2.074 358 HE2 TYR 51 2HE TYR 51 -6.052 -0.272 -2.234 359 HH TYR 51 HH TYR 51 -7.690 -1.567 0.701 360 H LEU 52 H LEU 52 -0.365 2.821 -0.040 361 HA LEU 52 HA LEU 52 0.366 5.701 0.097 362 HB2 LEU 52 1HB LEU 52 2.259 3.359 0.456 363 HB3 LEU 52 2HB LEU 52 2.649 5.063 0.604 364 HG LEU 52 HG LEU 52 0.874 3.465 2.504 365 HD11 LEU 52 1HD1 LEU 52 3.250 2.885 2.571 366 HD12 LEU 52 2HD1 LEU 52 2.737 3.699 4.064 367 HD13 LEU 52 3HD1 LEU 52 3.674 4.594 2.852 368 HD21 LEU 52 3HD2 LEU 52 0.098 5.736 2.618 369 HD22 LEU 52 1HD2 LEU 52 1.761 6.370 2.632 370 HD23 LEU 52 2HD2 LEU 52 1.120 5.463 4.018 371 H TYR 53 H TYR 53 2.360 5.965 -1.501 372 HA TYR 53 HA TYR 53 2.367 3.997 -3.666 373 HB2 TYR 53 1HB TYR 53 2.258 5.668 -5.408 374 HB3 TYR 53 2HB TYR 53 0.777 5.651 -4.488 375 HD1 TYR 53 1HD TYR 53 0.581 7.465 -2.555 376 HD2 TYR 53 2HD TYR 53 3.312 7.743 -5.867 377 HE1 TYR 53 1HE TYR 53 0.705 9.880 -2.209 378 HE2 TYR 53 2HE TYR 53 3.458 10.199 -5.534 379 HH TYR 53 HH TYR 53 2.607 12.077 -4.274 380 H TRP 54 H TRP 54 4.356 3.997 -4.763 381 HA TRP 54 HA TRP 54 6.629 5.050 -3.215 382 HB2 TRP 54 1HB TRP 54 6.872 2.804 -4.069 383 HB3 TRP 54 2HB TRP 54 6.391 3.283 -5.686 384 HD1 TRP 54 HD TRP 54 8.385 3.252 -7.229 385 HE1 TRP 54 1HE TRP 54 10.832 3.935 -7.169 386 HE3 TRP 54 3HE TRP 54 8.640 4.647 -2.329 387 HZ2 TRP 54 2HZ TRP 54 12.741 4.854 -5.138 388 HZ3 TRP 54 3HZ TRP 54 10.742 5.393 -1.348 389 HH2 TRP 54 HH TRP 54 12.845 5.471 -2.723 390 H ASP 55 H ASP 55 7.557 6.996 -3.682 391 HA ASP 55 HA ASP 55 6.959 8.223 -6.323 392 HB2 ASP 55 1HB ASP 55 5.718 9.207 -4.400 393 HB3 ASP 55 2HB ASP 55 7.261 9.752 -3.726 394 H GLY 56 H GLY 56 8.733 7.387 -7.268 395 HA2 GLY 56 1HA GLY 56 11.387 7.533 -6.339 396 HA3 GLY 56 2HA GLY 56 10.862 7.410 -8.023 397 H GLU 57 H GLU 57 9.227 10.085 -7.474 398 HA GLU 57 HA GLU 57 11.107 11.894 -8.604 399 HB2 GLU 57 1HB GLU 57 8.762 12.736 -6.920 400 HB3 GLU 57 2HB GLU 57 9.517 13.598 -8.238 401 HG2 GLU 57 1HG GLU 57 7.831 11.074 -8.474 402 HG3 GLU 57 2HG GLU 57 7.336 12.724 -8.810 403 H ARG 58 H ARG 58 10.169 11.036 -5.335 404 HA ARG 58 HA ARG 58 12.043 12.979 -4.065 405 HB2 ARG 58 1HB ARG 58 9.300 11.893 -3.251 406 HB3 ARG 58 2HB ARG 58 10.329 12.857 -2.186 407 HG2 ARG 58 1HG ARG 58 10.275 14.723 -3.807 408 HG3 ARG 58 2HG ARG 58 9.220 13.791 -4.877 409 HD2 ARG 58 1HD ARG 58 7.353 14.119 -3.596 410 HD3 ARG 58 2HD ARG 58 8.241 14.027 -2.078 411 HE ARG 58 HE ARG 58 8.754 16.424 -3.687 412 HH11 ARG 58 1HH1 ARG 58 6.054 15.303 -1.774 413 HH12 ARG 58 2HH1 ARG 58 5.967 16.671 -0.741 414 HH21 ARG 58 1HH2 ARG 58 8.590 18.351 -2.436 415 HH22 ARG 58 2HH2 ARG 58 7.298 18.537 -1.293 416 H ARG 59 H ARG 59 11.673 9.767 -4.734 417 HA ARG 59 HA ARG 59 12.164 7.767 -3.883 418 HB2 ARG 59 1HB ARG 59 14.462 9.194 -2.549 419 HB3 ARG 59 2HB ARG 59 14.320 7.458 -2.768 420 HG2 ARG 59 1HG ARG 59 14.393 7.680 -5.218 421 HG3 ARG 59 2HG ARG 59 14.581 9.447 -5.064 422 HD2 ARG 59 1HD ARG 59 16.619 9.146 -3.718 423 HD3 ARG 59 2HD ARG 59 16.439 7.395 -3.762 424 HE ARG 59 HE ARG 59 16.884 7.444 -6.172 425 HH11 ARG 59 1HH1 ARG 59 17.941 10.404 -4.389 426 HH12 ARG 59 2HH1 ARG 59 19.347 10.555 -5.403 427 HH21 ARG 59 1HH2 ARG 59 18.688 7.706 -7.347 428 HH22 ARG 59 2HH2 ARG 59 19.781 9.035 -7.130 429 H THR 60 H THR 60 10.026 8.508 -2.567 430 HA THR 60 HA THR 60 10.549 7.340 0.027 431 HB THR 60 HB THR 60 10.921 9.782 0.419 432 HG1 THR 60 1HG THR 60 9.093 9.764 2.099 433 HG21 THR 60 3HG2 THR 60 9.065 11.333 0.406 434 HG22 THR 60 1HG2 THR 60 7.939 10.083 -0.158 435 HG23 THR 60 2HG2 THR 60 9.242 10.658 -1.216 436 H TYR 61 H TYR 61 8.289 7.269 1.209 437 HA TYR 61 HA TYR 61 6.206 6.473 -0.765 438 HB2 TYR 61 1HB TYR 61 6.612 5.582 2.114 439 HB3 TYR 61 2HB TYR 61 5.138 5.302 1.177 440 HD1 TYR 61 1HD TYR 61 8.718 4.454 1.485 441 HD2 TYR 61 2HD TYR 61 5.092 3.794 -0.771 442 HE1 TYR 61 1HE TYR 61 9.826 2.665 0.242 443 HE2 TYR 61 2HE TYR 61 6.197 1.944 -2.002 444 HH TYR 61 HH TYR 61 9.681 1.324 -1.679 445 H VAL 62 H VAL 62 4.384 7.577 -0.782 446 HA VAL 62 HA VAL 62 3.815 9.520 1.343 447 HB VAL 62 HB VAL 62 2.860 10.819 -0.865 448 HG11 VAL 62 1HG1 VAL 62 4.174 11.820 0.969 449 HG12 VAL 62 2HG1 VAL 62 5.657 11.066 0.349 450 HG13 VAL 62 3HG1 VAL 62 4.817 12.316 -0.605 451 HG21 VAL 62 3HG2 VAL 62 5.623 9.791 -1.721 452 HG22 VAL 62 1HG2 VAL 62 4.106 9.211 -2.421 453 HG23 VAL 62 2HG2 VAL 62 4.581 10.914 -2.592 454 HA PRO 63 HA PRO 63 0.009 7.504 1.431 455 HB2 PRO 63 1HB PRO 63 -1.765 9.403 2.318 456 HB3 PRO 63 2HB PRO 63 -0.484 8.664 3.333 457 HG2 PRO 63 1HG PRO 63 -0.443 11.339 1.917 458 HG3 PRO 63 2HG PRO 63 0.132 10.929 3.561 459 HD2 PRO 63 1HD PRO 63 1.782 11.164 1.381 460 HD3 PRO 63 2HD PRO 63 2.116 10.037 2.733 461 H ALA 64 H ALA 64 -1.320 6.752 -0.101 462 HA ALA 64 HA ALA 64 -1.909 8.409 -2.442 463 HB1 ALA 64 1HB ALA 64 -2.483 5.451 -1.910 464 HB2 ALA 64 2HB ALA 64 -2.596 6.287 -3.475 465 HB3 ALA 64 3HB ALA 64 -1.025 6.074 -2.712 466 H LEU 65 H LEU 65 -3.289 8.976 0.095 467 HA LEU 65 HA LEU 65 -6.037 8.176 0.033 468 HB2 LEU 65 1HB LEU 65 -4.407 10.408 1.254 469 HB3 LEU 65 2HB LEU 65 -6.141 10.566 1.232 470 HG LEU 65 HG LEU 65 -5.078 9.589 3.307 471 HD11 LEU 65 1HD1 LEU 65 -7.356 8.128 1.914 472 HD12 LEU 65 2HD1 LEU 65 -7.470 9.523 3.000 473 HD13 LEU 65 3HD1 LEU 65 -6.979 7.943 3.632 474 HD21 LEU 65 3HD2 LEU 65 -3.563 7.922 2.272 475 HD22 LEU 65 1HD2 LEU 65 -4.984 6.978 1.762 476 HD23 LEU 65 2HD2 LEU 65 -4.657 7.241 3.482 477 H GLU 66 H GLU 66 -7.301 8.496 -1.559 478 HA GLU 66 HA GLU 66 -8.410 9.185 -3.270 479 HB2 GLU 66 1HB GLU 66 -9.063 11.055 -1.901 480 HB3 GLU 66 2HB GLU 66 -7.692 11.997 -2.470 481 HG2 GLU 66 1HG GLU 66 -9.663 12.720 -3.616 482 HG3 GLU 66 2HG GLU 66 -8.647 11.885 -4.783 483 H GLN 67 H GLN 67 -5.715 11.514 -3.568 484 HA GLN 67 HA GLN 67 -4.432 12.153 -5.195 485 HB2 GLN 67 1HB GLN 67 -3.694 9.583 -4.729 486 HB3 GLN 67 2HB GLN 67 -4.022 9.476 -6.445 487 HG2 GLN 67 1HG GLN 67 -2.075 11.293 -4.985 488 HG3 GLN 67 2HG GLN 67 -1.668 9.970 -6.072 489 HE21 GLN 67 1HE2 GLN 67 -1.116 10.614 -8.248 490 HE22 GLN 67 2HE2 GLN 67 -1.584 12.216 -8.848 491 H SER 68 H SER 68 -7.147 12.395 -5.757 492 HA SER 68 HA SER 68 -7.091 12.751 -8.640 493 HB2 SER 68 1HB SER 68 -7.871 10.255 -7.993 494 HB3 SER 68 2HB SER 68 -9.420 11.086 -7.762 495 HG SER 68 HG SER 68 -9.296 10.396 -9.854 496 H ALA 69 H ALA 69 -8.165 13.808 -5.676 497 HA ALA 69 HA ALA 69 -9.853 15.858 -6.712 498 HB1 ALA 69 1HB ALA 69 -11.480 13.889 -6.778 499 HB2 ALA 69 2HB ALA 69 -11.282 13.767 -5.014 500 HB3 ALA 69 3HB ALA 69 -11.979 15.224 -5.742 501 H ASP 70 H ASP 70 -11.060 16.874 -4.597 502 HA ASP 70 HA ASP 70 -8.816 17.665 -2.982 503 HB2 ASP 70 1HB ASP 70 -10.856 19.021 -3.730 504 HB3 ASP 70 2HB ASP 70 -11.708 18.310 -2.359 505 H GLY 71 H GLY 71 -11.846 15.939 -2.135 506 HA2 GLY 71 1HA GLY 71 -10.986 13.756 -0.873 507 HA3 GLY 71 2HA GLY 71 -10.711 14.953 0.400 508 H HIS 72 H HIS 72 -12.346 15.290 1.742 509 HA HIS 72 HA HIS 72 -14.251 15.120 2.856 510 HB2 HIS 72 1HB HIS 72 -15.259 16.090 0.571 511 HB3 HIS 72 2HB HIS 72 -16.053 14.528 0.554 512 HD1 HIS 72 1HD HIS 72 -16.859 17.871 1.463 513 HD2 HIS 72 2HD HIS 72 -17.191 14.150 3.447 514 HE1 HIS 72 1HE HIS 72 -18.670 18.128 3.159 515 H LYS 73 H LYS 73 -12.530 12.750 1.686 516 HA LYS 73 HA LYS 73 -13.969 10.563 2.913 517 HB2 LYS 73 1HB LYS 73 -13.839 9.251 0.646 518 HB3 LYS 73 2HB LYS 73 -15.232 10.276 0.950 519 HG2 LYS 73 1HG LYS 73 -14.594 11.907 -0.577 520 HG3 LYS 73 2HG LYS 73 -12.878 11.441 -0.578 521 HD2 LYS 73 1HD LYS 73 -13.275 9.510 -1.873 522 HD3 LYS 73 2HD LYS 73 -15.034 9.614 -1.611 523 HE2 LYS 73 1HE LYS 73 -15.345 11.397 -3.043 524 HE3 LYS 73 2HE LYS 73 -13.626 11.857 -3.014 525 HZ1 LYS 73 3HZ LYS 73 -13.071 10.314 -4.466 526 HZ2 LYS 73 1HZ LYS 73 -14.575 10.581 -5.051 527 HZ3 LYS 73 2HZ LYS 73 -14.271 9.244 -4.119 528 H GLU 74 H GLU 74 -12.632 8.745 3.091 529 HA GLU 74 HA GLU 74 -9.791 8.954 2.340 530 HB2 GLU 74 1HB GLU 74 -10.841 6.371 3.376 531 HB3 GLU 74 2HB GLU 74 -9.361 7.211 3.710 532 HG2 GLU 74 1HG GLU 74 -10.447 7.177 5.773 533 HG3 GLU 74 2HG GLU 74 -10.717 8.818 5.191 534 H THR 75 H THR 75 -9.350 8.328 0.270 535 HA THR 75 HA THR 75 -9.281 7.195 -1.690 536 HB THR 75 HB THR 75 -9.523 4.845 0.211 537 HG1 THR 75 1HG THR 75 -7.556 5.360 1.017 538 HG21 THR 75 3HG2 THR 75 -7.642 5.379 -2.128 539 HG22 THR 75 1HG2 THR 75 -9.033 4.279 -2.150 540 HG23 THR 75 2HG2 THR 75 -7.651 3.921 -1.101 541 H GLY 76 H GLY 76 -11.632 5.220 0.077 542 HA2 GLY 76 1HA GLY 76 -13.518 5.040 -2.119 543 HA3 GLY 76 2HA GLY 76 -12.572 3.548 -1.893 544 H ALA 77 H ALA 77 -12.449 2.669 0.202 545 HA ALA 77 HA ALA 77 -13.142 1.782 2.100 546 HB1 ALA 77 1HB ALA 77 -14.751 2.745 3.605 547 HB2 ALA 77 2HB ALA 77 -13.781 4.067 2.943 548 HB3 ALA 77 3HB ALA 77 -15.427 3.768 2.337 549 HA PRO 78 HA PRO 78 -16.247 -0.960 0.382 550 HB2 PRO 78 1HB PRO 78 -16.617 -2.715 2.438 551 HB3 PRO 78 2HB PRO 78 -15.040 -2.536 1.613 552 HG2 PRO 78 1HG PRO 78 -15.946 -1.242 4.198 553 HG3 PRO 78 2HG PRO 78 -14.440 -2.152 3.901 554 HD2 PRO 78 1HD PRO 78 -14.568 0.565 3.802 555 HD3 PRO 78 2HD PRO 78 -13.491 -0.370 2.721 556 H SER 79 H SER 79 -17.046 1.095 3.020 557 HA SER 79 HA SER 79 -19.904 0.614 3.238 558 HB2 SER 79 1HB SER 79 -19.496 3.117 4.121 559 HB3 SER 79 2HB SER 79 -18.950 1.746 5.097 560 HG SER 79 HG SER 79 -17.322 3.484 4.684 561 H LYS 80 H LYS 80 -21.189 2.689 2.616 562 HA LYS 80 HA LYS 80 -21.834 4.244 1.144 563 HB2 LYS 80 1HB LYS 80 -19.259 4.821 1.484 564 HB3 LYS 80 2HB LYS 80 -19.148 4.396 -0.228 565 HG2 LYS 80 1HG LYS 80 -20.672 6.083 -0.836 566 HG3 LYS 80 2HG LYS 80 -21.257 6.303 0.828 567 HD2 LYS 80 1HD LYS 80 -18.997 7.189 1.470 568 HD3 LYS 80 2HD LYS 80 -18.543 7.106 -0.245 569 HE2 LYS 80 1HE LYS 80 -20.714 8.457 -0.698 570 HE3 LYS 80 2HE LYS 80 -20.809 8.703 1.047 571 HZ1 LYS 80 3HZ LYS 80 -19.806 10.539 0.035 572 HZ2 LYS 80 1HZ LYS 80 -18.674 9.650 -0.754 573 HZ3 LYS 80 2HZ LYS 80 -18.622 9.842 0.892 574 H GLU 81 H GLU 81 -22.345 1.693 0.828 575 HA GLU 81 HA GLU 81 -23.885 0.643 -0.478 576 HB2 GLU 81 1HB GLU 81 -23.501 2.914 -2.469 577 HB3 GLU 81 2HB GLU 81 -24.665 1.608 -2.611 578 HG2 GLU 81 1HG GLU 81 -25.826 3.488 -1.776 579 HG3 GLU 81 2HG GLU 81 -25.718 2.315 -0.464 580 H GLY 82 H GLY 82 -22.153 -0.905 -0.357 581 HA2 GLY 82 1HA GLY 82 -21.751 -2.048 -2.951 582 HA3 GLY 82 2HA GLY 82 -20.216 -1.367 -2.390 583 H LYS 83 H LYS 83 -20.216 -1.936 0.339 584 HA LYS 83 HA LYS 83 -20.731 -4.828 0.621 585 HB2 LYS 83 1HB LYS 83 -18.538 -4.365 -0.618 586 HB3 LYS 83 2HB LYS 83 -17.938 -3.626 0.865 587 HG2 LYS 83 1HG LYS 83 -18.172 -5.770 2.045 588 HG3 LYS 83 2HG LYS 83 -19.013 -6.462 0.641 589 HD2 LYS 83 1HD LYS 83 -16.957 -6.338 -0.674 590 HD3 LYS 83 2HD LYS 83 -16.168 -5.395 0.607 591 HE2 LYS 83 1HE LYS 83 -15.345 -7.621 0.848 592 HE3 LYS 83 2HE LYS 83 -16.471 -7.334 2.174 593 HZ1 LYS 83 3HZ LYS 83 -16.954 -9.462 1.264 594 HZ2 LYS 83 1HZ LYS 83 -16.909 -8.930 -0.263 595 HZ3 LYS 83 2HZ LYS 83 -18.174 -8.504 0.664 596 H GLU 84 H GLU 84 -21.774 -2.339 1.960 597 HA GLU 84 HA GLU 84 -20.112 -1.695 4.102 598 HB2 GLU 84 1HB GLU 84 -21.693 -0.148 4.740 599 HB3 GLU 84 2HB GLU 84 -21.776 -0.281 2.988 600 HG2 GLU 84 1HG GLU 84 -23.955 -0.517 3.120 601 HG3 GLU 84 2HG GLU 84 -23.703 -2.109 3.843 602 H LYS 85 H LYS 85 -22.532 -4.225 4.007 603 HA LYS 85 HA LYS 85 -21.704 -5.141 6.741 604 HB2 LYS 85 1HB LYS 85 -24.337 -5.309 5.231 605 HB3 LYS 85 2HB LYS 85 -23.971 -6.528 6.424 606 HG2 LYS 85 1HG LYS 85 -23.544 -3.743 7.365 607 HG3 LYS 85 2HG LYS 85 -25.198 -4.121 6.927 608 HD2 LYS 85 1HD LYS 85 -24.694 -4.450 9.334 609 HD3 LYS 85 2HD LYS 85 -25.368 -5.874 8.532 610 HE2 LYS 85 1HE LYS 85 -23.238 -6.985 8.473 611 HE3 LYS 85 2HE LYS 85 -22.377 -5.506 8.903 612 HZ1 LYS 85 3HZ LYS 85 -23.315 -5.600 11.102 613 HZ2 LYS 85 1HZ LYS 85 -22.669 -7.067 10.775 614 HZ3 LYS 85 2HZ LYS 85 -24.300 -6.843 10.700 615 H LYS 86 H LYS 86 -20.955 -5.509 3.675 616 HA LYS 86 HA LYS 86 -20.990 -6.898 1.979 617 HB2 LYS 86 1HB LYS 86 -19.748 -8.872 2.044 618 HB3 LYS 86 2HB LYS 86 -18.960 -7.696 3.062 619 HG2 LYS 86 1HG LYS 86 -20.783 -9.590 4.455 620 HG3 LYS 86 2HG LYS 86 -19.435 -10.331 3.617 621 HD2 LYS 86 1HD LYS 86 -17.871 -8.746 4.811 622 HD3 LYS 86 2HD LYS 86 -19.240 -8.235 5.814 623 HE2 LYS 86 1HE LYS 86 -18.203 -11.089 5.464 624 HE3 LYS 86 2HE LYS 86 -17.836 -10.051 6.842 625 HZ1 LYS 86 3HZ LYS 86 -19.623 -11.595 7.297 626 HZ2 LYS 86 1HZ LYS 86 -20.601 -10.891 6.138 627 HZ3 LYS 86 2HZ LYS 86 -20.117 -10.061 7.457 628 H GLU 87 H GLU 87 -21.685 -9.614 1.531 629 HA GLU 87 HA GLU 87 -24.602 -9.371 2.161 630 HB2 GLU 87 1HB GLU 87 -23.824 -9.015 -0.169 631 HB3 GLU 87 2HB GLU 87 -23.337 -10.703 -0.234 632 HG2 GLU 87 1HG GLU 87 -26.147 -10.173 0.721 633 HG3 GLU 87 2HG GLU 87 -25.811 -9.671 -0.932 634 H LYS 88 H LYS 88 -22.862 -12.308 0.986 635 HA LYS 88 HA LYS 88 -23.248 -13.543 3.653 636 HB2 LYS 88 1HB LYS 88 -24.107 -15.597 2.601 637 HB3 LYS 88 2HB LYS 88 -25.152 -14.209 2.346 638 HG2 LYS 88 1HG LYS 88 -25.247 -15.213 0.317 639 HG3 LYS 88 2HG LYS 88 -24.013 -13.990 0.016 640 HD2 LYS 88 1HD LYS 88 -22.266 -15.789 0.276 641 HD3 LYS 88 2HD LYS 88 -23.565 -16.978 0.415 642 HE2 LYS 88 1HE LYS 88 -23.129 -15.046 -1.918 643 HE3 LYS 88 2HE LYS 88 -22.587 -16.731 -1.902 644 HZ1 LYS 88 3HZ LYS 88 -24.912 -17.387 -1.687 645 HZ2 LYS 88 1HZ LYS 88 -24.646 -16.565 -3.056 646 HZ3 LYS 88 2HZ LYS 88 -25.394 -15.795 -1.827 647 H HIS 89 H HIS 89 -21.926 -15.468 3.979 648 HA HIS 89 HA HIS 89 -19.300 -15.283 2.653 649 HB2 HIS 89 1HB HIS 89 -20.222 -16.017 5.278 650 HB3 HIS 89 2HB HIS 89 -19.495 -17.448 4.578 651 HD1 HIS 89 1HD HIS 89 -16.893 -17.536 4.523 652 HD2 HIS 89 2HD HIS 89 -18.586 -13.773 5.410 653 HE1 HIS 89 1HE HIS 89 -14.990 -16.072 5.402 654 H LYS 90 H LYS 90 -21.302 -18.078 3.608 655 HA LYS 90 HA LYS 90 -21.072 -19.390 0.968 656 HB2 LYS 90 1HB LYS 90 -18.875 -19.429 2.446 657 HB3 LYS 90 2HB LYS 90 -19.701 -20.663 3.373 658 HG2 LYS 90 1HG LYS 90 -19.336 -20.840 0.347 659 HG3 LYS 90 2HG LYS 90 -18.032 -21.215 1.456 660 HD2 LYS 90 1HD LYS 90 -18.722 -23.327 1.469 661 HD3 LYS 90 2HD LYS 90 -20.031 -22.794 2.492 662 HE2 LYS 90 1HE LYS 90 -21.085 -24.018 0.818 663 HE3 LYS 90 2HE LYS 90 -21.373 -22.357 0.321 664 HZ1 LYS 90 3HZ LYS 90 -20.655 -23.999 -1.400 665 HZ2 LYS 90 1HZ LYS 90 -19.173 -24.031 -0.742 666 HZ3 LYS 90 2HZ LYS 90 -19.749 -22.614 -1.393 667 H THR 91 H THR 91 -23.021 -18.702 3.455 668 HA THR 91 HA THR 91 -24.790 -19.547 4.464 669 HB THR 91 HB THR 91 -24.548 -22.135 2.896 670 HG1 THR 91 1HG THR 91 -25.975 -21.107 1.485 671 HG21 THR 91 3HG2 THR 91 -26.906 -20.755 4.258 672 HG22 THR 91 1HG2 THR 91 -26.073 -22.213 4.847 673 HG23 THR 91 2HG2 THR 91 -26.969 -22.265 3.322 674 H LYS 92 H LYS 92 -23.840 -19.407 6.425 675 HA LYS 92 HA LYS 92 -23.245 -21.753 7.844 676 HB2 LYS 92 1HB LYS 92 -21.098 -21.077 8.778 677 HB3 LYS 92 2HB LYS 92 -20.949 -21.378 7.060 678 HG2 LYS 92 1HG LYS 92 -20.073 -19.371 6.716 679 HG3 LYS 92 2HG LYS 92 -21.478 -18.553 7.352 680 HD2 LYS 92 1HD LYS 92 -19.465 -19.601 9.361 681 HD3 LYS 92 2HD LYS 92 -19.011 -18.262 8.329 682 HE2 LYS 92 1HE LYS 92 -19.826 -17.118 10.126 683 HE3 LYS 92 2HE LYS 92 -21.216 -17.108 9.037 684 HZ1 LYS 92 3HZ LYS 92 -22.128 -18.952 10.383 685 HZ2 LYS 92 1HZ LYS 92 -21.857 -17.573 11.231 686 HZ3 LYS 92 2HZ LYS 92 -20.823 -18.828 11.411 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -2.777 24.581 8.095 2 HA2 GLY 1 1HA GLY 1 -0.346 25.326 6.573 3 HA3 GLY 1 2HA GLY 1 -0.739 23.677 7.096 4 H HIS 2 H HIS 2 -2.849 22.784 6.240 5 HA HIS 2 HA HIS 2 -4.236 22.207 4.619 6 HB2 HIS 2 1HB HIS 2 -4.612 24.778 4.352 7 HB3 HIS 2 2HB HIS 2 -3.705 24.576 2.854 8 HD1 HIS 2 1HD HIS 2 -6.940 23.366 4.569 9 HD2 HIS 2 2HD HIS 2 -4.998 23.369 0.830 10 HE1 HIS 2 1HE HIS 2 -8.683 22.621 2.854 11 H MET 3 H MET 3 -3.192 20.429 4.064 12 HA MET 3 HA MET 3 -1.802 18.950 3.118 13 HB2 MET 3 1HB MET 3 -3.339 19.517 1.246 14 HB3 MET 3 2HB MET 3 -2.175 20.703 0.682 15 HG2 MET 3 1HG MET 3 -1.734 18.974 -0.703 16 HG3 MET 3 2HG MET 3 -0.505 18.688 0.510 17 HE1 MET 3 3HE MET 3 -1.593 15.272 2.048 18 HE2 MET 3 1HE MET 3 -0.271 16.443 1.849 19 HE3 MET 3 2HE MET 3 -1.715 16.863 2.815 20 H GLN 4 H GLN 4 -0.167 19.951 4.656 21 HA GLN 4 HA GLN 4 2.159 21.246 3.461 22 HB2 GLN 4 1HB GLN 4 1.777 19.708 6.049 23 HB3 GLN 4 2HB GLN 4 3.329 20.382 5.521 24 HG2 GLN 4 1HG GLN 4 2.274 22.637 5.436 25 HG3 GLN 4 2HG GLN 4 0.772 21.954 6.080 26 HE21 GLN 4 1HE2 GLN 4 0.593 22.113 8.322 27 HE22 GLN 4 2HE2 GLN 4 1.938 22.207 9.432 28 H GLU 5 H GLU 5 3.399 20.277 1.936 29 HA GLU 5 HA GLU 5 3.856 17.341 2.020 30 HB2 GLU 5 1HB GLU 5 3.755 18.297 -0.207 31 HB3 GLU 5 2HB GLU 5 5.037 19.456 0.182 32 HG2 GLU 5 1HG GLU 5 6.621 17.614 0.566 33 HG3 GLU 5 2HG GLU 5 5.354 16.414 0.339 34 H SER 6 H SER 6 6.176 19.980 1.766 35 HA SER 6 HA SER 6 8.285 20.176 2.498 36 HB2 SER 6 1HB SER 6 7.018 19.500 5.166 37 HB3 SER 6 2HB SER 6 8.738 19.945 4.968 38 HG SER 6 HG SER 6 8.228 21.926 4.498 39 H TYR 7 H TYR 7 8.450 18.371 1.026 40 HA TYR 7 HA TYR 7 9.492 16.425 0.373 41 HB2 TYR 7 1HB TYR 7 11.903 16.587 1.317 42 HB3 TYR 7 2HB TYR 7 11.150 17.804 0.304 43 HD1 TYR 7 1HD TYR 7 11.842 16.988 3.896 44 HD2 TYR 7 2HD TYR 7 10.780 20.032 1.057 45 HE1 TYR 7 1HE TYR 7 12.121 18.710 5.668 46 HE2 TYR 7 2HE TYR 7 11.054 21.786 2.829 47 HH TYR 7 HH TYR 7 12.039 21.046 6.169 48 H SER 8 H SER 8 8.054 15.052 1.206 49 HA SER 8 HA SER 8 9.143 13.285 3.305 50 HB2 SER 8 1HB SER 8 6.789 15.035 3.661 51 HB3 SER 8 2HB SER 8 6.418 13.333 3.974 52 HG SER 8 HG SER 8 7.894 13.204 5.486 53 H GLN 9 H GLN 9 9.360 11.474 1.991 54 HA GLN 9 HA GLN 9 6.982 10.096 1.256 55 HB2 GLN 9 1HB GLN 9 7.399 9.797 -1.076 56 HB3 GLN 9 2HB GLN 9 7.474 11.514 -0.727 57 HG2 GLN 9 1HG GLN 9 10.068 11.154 -0.599 58 HG3 GLN 9 2HG GLN 9 9.697 9.610 -1.389 59 HE21 GLN 9 1HE2 GLN 9 8.354 13.012 -1.975 60 HE22 GLN 9 2HE2 GLN 9 8.679 12.898 -3.690 61 H TYR 10 H TYR 10 8.238 7.867 0.019 62 HA TYR 10 HA TYR 10 10.020 6.885 2.181 63 HB2 TYR 10 1HB TYR 10 8.343 5.588 0.074 64 HB3 TYR 10 2HB TYR 10 9.666 4.722 0.815 65 HD1 TYR 10 1HD TYR 10 6.545 6.632 1.651 66 HD2 TYR 10 2HD TYR 10 9.480 3.759 2.953 67 HE1 TYR 10 1HE TYR 10 5.174 6.158 3.632 68 HE2 TYR 10 2HE TYR 10 8.131 3.265 4.946 69 HH TYR 10 HH TYR 10 4.938 4.803 5.527 70 HA PRO 11 HA PRO 11 13.456 6.821 -0.830 71 HB2 PRO 11 1HB PRO 11 14.894 4.699 0.048 72 HB3 PRO 11 2HB PRO 11 14.851 6.232 0.968 73 HG2 PRO 11 1HG PRO 11 13.212 3.720 1.441 74 HG3 PRO 11 2HG PRO 11 14.132 4.683 2.644 75 HD2 PRO 11 1HD PRO 11 11.443 4.997 2.232 76 HD3 PRO 11 2HD PRO 11 12.491 6.367 2.667 77 H VAL 12 H VAL 12 14.336 4.949 -2.336 78 HA VAL 12 HA VAL 12 11.956 3.553 -3.405 79 HB VAL 12 HB VAL 12 14.579 4.304 -4.720 80 HG11 VAL 12 1HG1 VAL 12 13.472 2.415 -5.879 81 HG12 VAL 12 2HG1 VAL 12 11.946 3.327 -5.916 82 HG13 VAL 12 3HG1 VAL 12 13.353 3.889 -6.841 83 HG21 VAL 12 3HG2 VAL 12 13.308 6.323 -4.088 84 HG22 VAL 12 1HG2 VAL 12 13.316 6.062 -5.829 85 HG23 VAL 12 2HG2 VAL 12 11.864 5.669 -4.885 86 HA PRO 13 HA PRO 13 14.429 0.056 -1.686 87 HB2 PRO 13 1HB PRO 13 12.464 -1.635 -0.989 88 HB3 PRO 13 2HB PRO 13 12.765 -0.128 -0.060 89 HG2 PRO 13 1HG PRO 13 10.716 -0.513 -2.306 90 HG3 PRO 13 2HG PRO 13 10.415 0.065 -0.638 91 HD2 PRO 13 1HD PRO 13 10.864 1.829 -2.640 92 HD3 PRO 13 2HD PRO 13 11.543 2.070 -0.997 93 H ASP 14 H ASP 14 14.927 -2.022 -2.638 94 HA ASP 14 HA ASP 14 13.613 -2.600 -5.250 95 HB2 ASP 14 1HB ASP 14 15.704 -1.201 -5.568 96 HB3 ASP 14 2HB ASP 14 16.625 -2.580 -4.943 97 H VAL 15 H VAL 15 13.251 -4.667 -5.650 98 HA VAL 15 HA VAL 15 13.478 -6.633 -3.727 99 HB VAL 15 HB VAL 15 11.856 -6.497 -5.566 100 HG11 VAL 15 1HG1 VAL 15 12.346 -7.301 -7.809 101 HG12 VAL 15 2HG1 VAL 15 13.385 -5.923 -7.441 102 HG13 VAL 15 3HG1 VAL 15 14.050 -7.572 -7.391 103 HG21 VAL 15 3HG2 VAL 15 11.661 -8.877 -6.047 104 HG22 VAL 15 1HG2 VAL 15 13.302 -9.164 -5.441 105 HG23 VAL 15 2HG2 VAL 15 12.029 -8.570 -4.344 106 H SER 16 H SER 16 15.946 -5.695 -6.044 107 HA SER 16 HA SER 16 17.501 -8.083 -5.997 108 HB2 SER 16 1HB SER 16 17.602 -5.942 -7.503 109 HB3 SER 16 2HB SER 16 18.619 -5.269 -6.218 110 HG SER 16 HG SER 16 19.737 -6.325 -7.942 111 H THR 17 H THR 17 16.778 -5.868 -3.470 112 HA THR 17 HA THR 17 19.176 -6.709 -1.927 113 HB THR 17 HB THR 17 18.959 -4.695 -0.648 114 HG1 THR 17 1HG THR 17 16.596 -4.291 -2.207 115 HG21 THR 17 3HG2 THR 17 19.499 -3.011 -2.288 116 HG22 THR 17 1HG2 THR 17 18.703 -3.900 -3.595 117 HG23 THR 17 2HG2 THR 17 20.178 -4.547 -2.843 118 H TYR 18 H TYR 18 16.004 -7.727 -2.289 119 HA TYR 18 HA TYR 18 15.287 -7.788 0.544 120 HB2 TYR 18 1HB TYR 18 14.026 -9.044 -1.917 121 HB3 TYR 18 2HB TYR 18 13.386 -9.153 -0.304 122 HD1 TYR 18 2HD TYR 18 14.572 -5.954 -0.089 123 HD2 TYR 18 1HD TYR 18 11.535 -8.222 -2.111 124 HE1 TYR 18 2HE TYR 18 13.436 -3.881 -0.660 125 HE2 TYR 18 1HE TYR 18 10.362 -6.144 -2.716 126 HH TYR 18 HH TYR 18 10.330 -3.786 -2.488 127 H GLN 19 H GLN 19 14.640 -9.900 1.433 128 HA GLN 19 HA GLN 19 16.727 -11.996 0.951 129 HB2 GLN 19 1HB GLN 19 15.217 -11.229 3.483 130 HB3 GLN 19 2HB GLN 19 16.095 -12.745 3.256 131 HG2 GLN 19 1HG GLN 19 18.094 -11.205 2.526 132 HG3 GLN 19 2HG GLN 19 17.197 -9.940 3.359 133 HE21 GLN 19 1HE2 GLN 19 17.164 -10.007 5.715 134 HE22 GLN 19 2HE2 GLN 19 18.028 -11.241 6.596 135 H TYR 20 H TYR 20 15.892 -13.581 -0.319 136 HA TYR 20 HA TYR 20 13.090 -14.195 -0.446 137 HB2 TYR 20 1HB TYR 20 14.752 -14.731 -2.175 138 HB3 TYR 20 2HB TYR 20 15.511 -15.910 -1.095 139 HD1 TYR 20 1HD TYR 20 12.310 -14.990 -2.815 140 HD2 TYR 20 2HD TYR 20 14.561 -18.149 -0.957 141 HE1 TYR 20 1HE TYR 20 10.767 -16.652 -3.834 142 HE2 TYR 20 2HE TYR 20 12.919 -19.812 -1.803 143 HH TYR 20 HH TYR 20 10.181 -18.879 -3.928 144 H ASP 21 H ASP 21 11.934 -15.632 0.677 145 HA ASP 21 HA ASP 21 13.073 -16.661 3.247 146 HB2 ASP 21 1HB ASP 21 11.313 -14.677 3.166 147 HB3 ASP 21 2HB ASP 21 10.144 -15.865 2.870 148 H GLU 22 H GLU 22 13.503 -18.570 1.811 149 HA GLU 22 HA GLU 22 11.510 -19.915 0.388 150 HB2 GLU 22 1HB GLU 22 13.002 -21.839 0.445 151 HB3 GLU 22 2HB GLU 22 13.700 -20.273 -0.040 152 HG2 GLU 22 1HG GLU 22 15.349 -20.497 1.135 153 HG3 GLU 22 2HG GLU 22 14.393 -20.511 2.628 154 H THR 23 H THR 23 11.673 -19.735 3.500 155 HA THR 23 HA THR 23 10.314 -22.146 4.473 156 HB THR 23 HB THR 23 11.631 -20.343 5.839 157 HG1 THR 23 1HG THR 23 10.571 -22.111 6.686 158 HG21 THR 23 3HG2 THR 23 8.859 -19.130 6.192 159 HG22 THR 23 1HG2 THR 23 10.054 -18.459 5.072 160 HG23 THR 23 2HG2 THR 23 10.420 -18.542 6.793 161 H SER 24 H SER 24 9.160 -19.034 3.000 162 HA SER 24 HA SER 24 6.462 -20.305 2.813 163 HB2 SER 24 1HB SER 24 5.619 -17.935 2.826 164 HB3 SER 24 2HB SER 24 6.332 -18.496 4.355 165 HG SER 24 HG SER 24 7.300 -16.614 4.104 166 H GLY 25 H GLY 25 9.084 -18.600 1.085 167 HA2 GLY 25 1HA GLY 25 9.421 -19.106 -1.226 168 HA3 GLY 25 2HA GLY 25 7.718 -19.422 -1.436 169 H TYR 26 H TYR 26 8.303 -16.628 0.476 170 HA TYR 26 HA TYR 26 7.591 -14.802 -1.762 171 HB2 TYR 26 1HB TYR 26 7.095 -14.724 1.215 172 HB3 TYR 26 2HB TYR 26 7.048 -13.265 0.239 173 HD1 TYR 26 2HD TYR 26 5.690 -16.783 -0.153 174 HD2 TYR 26 1HD TYR 26 4.938 -12.544 -0.342 175 HE1 TYR 26 2HE TYR 26 3.381 -17.244 -0.816 176 HE2 TYR 26 1HE TYR 26 2.572 -12.997 -0.942 177 HH TYR 26 HH TYR 26 0.936 -14.687 -1.410 178 H TYR 27 H TYR 27 8.571 -12.409 -1.054 179 HA TYR 27 HA TYR 27 11.443 -12.776 -0.308 180 HB2 TYR 27 1HB TYR 27 10.078 -10.640 -1.972 181 HB3 TYR 27 2HB TYR 27 11.688 -10.474 -1.291 182 HD1 TYR 27 2HD TYR 27 9.639 -12.403 -3.713 183 HD2 TYR 27 1HD TYR 27 13.608 -11.620 -2.240 184 HE1 TYR 27 2HE TYR 27 10.599 -13.681 -5.624 185 HE2 TYR 27 1HE TYR 27 14.575 -12.865 -4.137 186 HH TYR 27 HH TYR 27 12.540 -14.618 -6.529 187 H TYR 28 H TYR 28 12.077 -11.630 1.498 188 HA TYR 28 HA TYR 28 10.018 -10.189 3.076 189 HB2 TYR 28 1HB TYR 28 10.989 -12.081 4.305 190 HB3 TYR 28 2HB TYR 28 12.615 -11.617 3.820 191 HD1 TYR 28 2HD TYR 28 9.737 -9.671 5.273 192 HD2 TYR 28 1HD TYR 28 13.847 -10.897 5.696 193 HE1 TYR 28 2HE TYR 28 9.970 -8.182 7.195 194 HE2 TYR 28 1HE TYR 28 14.109 -9.400 7.628 195 HH TYR 28 HH TYR 28 12.994 -8.022 9.127 196 H ASP 29 H ASP 29 10.369 -8.001 3.323 197 HA ASP 29 HA ASP 29 12.694 -6.880 1.989 198 HB2 ASP 29 1HB ASP 29 10.392 -5.150 2.687 199 HB3 ASP 29 2HB ASP 29 11.427 -5.230 1.292 200 HA PRO 30 HA PRO 30 13.597 -6.135 6.501 201 HB2 PRO 30 1HB PRO 30 16.334 -5.736 6.157 202 HB3 PRO 30 2HB PRO 30 15.541 -7.322 6.480 203 HG2 PRO 30 1HG PRO 30 16.412 -6.143 3.835 204 HG3 PRO 30 2HG PRO 30 16.632 -7.815 4.440 205 HD2 PRO 30 1HD PRO 30 14.648 -7.194 2.718 206 HD3 PRO 30 2HD PRO 30 14.356 -8.337 4.072 207 H GLN 31 H GLN 31 13.903 -4.272 3.662 208 HA GLN 31 HA GLN 31 15.187 -1.916 4.599 209 HB2 GLN 31 1HB GLN 31 13.127 -2.467 2.395 210 HB3 GLN 31 2HB GLN 31 13.937 -0.926 2.587 211 HG2 GLN 31 1HG GLN 31 15.334 -3.588 2.018 212 HG3 GLN 31 2HG GLN 31 14.995 -2.318 0.850 213 HE21 GLN 31 1HE2 GLN 31 17.681 -3.532 2.248 214 HE22 GLN 31 2HE2 GLN 31 18.491 -2.049 2.681 215 H THR 32 H THR 32 11.875 -3.164 4.891 216 HA THR 32 HA THR 32 11.171 -0.885 6.643 217 HB THR 32 HB THR 32 8.913 -0.893 5.421 218 HG1 THR 32 1HG THR 32 9.318 -1.388 3.104 219 HG21 THR 32 3HG2 THR 32 11.285 0.109 3.765 220 HG22 THR 32 1HG2 THR 32 10.693 0.937 5.228 221 HG23 THR 32 2HG2 THR 32 9.663 0.792 3.814 222 H GLY 33 H GLY 33 10.867 -4.316 5.894 223 HA2 GLY 33 1HA GLY 33 10.319 -5.817 7.610 224 HA3 GLY 33 2HA GLY 33 9.275 -4.604 8.358 225 H LEU 34 H LEU 34 8.805 -4.754 4.969 226 HA LEU 34 HA LEU 34 6.195 -6.135 5.266 227 HB2 LEU 34 1HB LEU 34 7.466 -4.655 2.941 228 HB3 LEU 34 2HB LEU 34 5.844 -5.308 2.933 229 HG LEU 34 HG LEU 34 6.738 -3.152 4.915 230 HD11 LEU 34 1HD1 LEU 34 7.049 -2.286 2.682 231 HD12 LEU 34 2HD1 LEU 34 5.596 -1.557 3.379 232 HD13 LEU 34 3HD1 LEU 34 5.459 -2.880 2.186 233 HD21 LEU 34 3HD2 LEU 34 4.715 -4.382 5.580 234 HD22 LEU 34 1HD2 LEU 34 4.000 -4.105 3.970 235 HD23 LEU 34 2HD2 LEU 34 4.291 -2.744 5.074 236 H TYR 35 H TYR 35 5.722 -7.561 3.121 237 HA TYR 35 HA TYR 35 8.167 -8.994 2.232 238 HB2 TYR 35 1HB TYR 35 5.366 -10.005 2.855 239 HB3 TYR 35 2HB TYR 35 6.353 -10.804 1.659 240 HD1 TYR 35 1HD TYR 35 6.469 -9.728 5.265 241 HD2 TYR 35 2HD TYR 35 7.799 -12.512 2.264 242 HE1 TYR 35 1HE TYR 35 7.641 -11.054 7.004 243 HE2 TYR 35 2HE TYR 35 8.941 -13.849 3.973 244 HH TYR 35 HH TYR 35 9.505 -14.043 6.148 245 H TYR 36 H TYR 36 8.111 -9.533 0.057 246 HA TYR 36 HA TYR 36 6.109 -8.279 -1.771 247 HB2 TYR 36 1HB TYR 36 8.216 -7.083 -1.783 248 HB3 TYR 36 2HB TYR 36 9.132 -8.565 -1.914 249 HD1 TYR 36 1HD TYR 36 6.940 -6.217 -3.747 250 HD2 TYR 36 2HD TYR 36 9.437 -9.705 -4.048 251 HE1 TYR 36 1HE TYR 36 7.075 -5.891 -6.207 252 HE2 TYR 36 2HE TYR 36 9.450 -9.486 -6.507 253 HH TYR 36 HH TYR 36 9.093 -8.066 -8.252 254 H ASP 37 H ASP 37 6.053 -9.527 -3.997 255 HA ASP 37 HA ASP 37 6.744 -12.392 -3.728 256 HB2 ASP 37 1HB ASP 37 4.417 -12.070 -2.999 257 HB3 ASP 37 2HB ASP 37 4.107 -11.176 -4.500 258 HA PRO 38 HA PRO 38 8.196 -11.235 -7.697 259 HB2 PRO 38 1HB PRO 38 8.559 -13.643 -8.998 260 HB3 PRO 38 2HB PRO 38 9.565 -13.126 -7.627 261 HG2 PRO 38 1HG PRO 38 7.088 -14.898 -7.523 262 HG3 PRO 38 2HG PRO 38 8.725 -15.222 -6.811 263 HD2 PRO 38 1HD PRO 38 6.727 -14.194 -5.324 264 HD3 PRO 38 2HD PRO 38 8.376 -13.582 -5.127 265 H ASN 39 H ASN 39 5.230 -13.229 -7.621 266 HA ASN 39 HA ASN 39 4.469 -12.509 -10.373 267 HB2 ASN 39 1HB ASN 39 3.386 -14.304 -8.177 268 HB3 ASN 39 2HB ASN 39 2.413 -13.819 -9.530 269 HD21 ASN 39 1HD2 ASN 39 3.481 -16.589 -8.789 270 HD22 ASN 39 2HD2 ASN 39 4.493 -17.076 -10.122 271 H SER 40 H SER 40 3.920 -11.701 -6.983 272 HA SER 40 HA SER 40 1.801 -9.767 -7.815 273 HB2 SER 40 1HB SER 40 2.020 -10.788 -5.010 274 HB3 SER 40 2HB SER 40 0.669 -10.050 -5.832 275 HG SER 40 HG SER 40 1.051 -12.528 -5.459 276 H GLN 41 H GLN 41 3.162 -8.035 -8.293 277 HA GLN 41 HA GLN 41 4.963 -6.861 -6.431 278 HB2 GLN 41 1HB GLN 41 3.319 -5.589 -8.602 279 HB3 GLN 41 2HB GLN 41 4.509 -4.739 -7.637 280 HG2 GLN 41 1HG GLN 41 5.490 -5.395 -9.716 281 HG3 GLN 41 2HG GLN 41 6.292 -6.188 -8.389 282 HE21 GLN 41 1HE2 GLN 41 6.818 -8.254 -8.868 283 HE22 GLN 41 2HE2 GLN 41 5.908 -9.391 -9.831 284 H TYR 42 H TYR 42 1.832 -7.567 -5.896 285 HA TYR 42 HA TYR 42 1.004 -5.348 -4.205 286 HB2 TYR 42 1HB TYR 42 -0.096 -8.169 -4.449 287 HB3 TYR 42 2HB TYR 42 -0.821 -6.839 -3.569 288 HD1 TYR 42 2HD TYR 42 -0.465 -4.621 -5.673 289 HD2 TYR 42 1HD TYR 42 -1.826 -8.704 -5.951 290 HE1 TYR 42 2HE TYR 42 -1.919 -3.980 -7.536 291 HE2 TYR 42 1HE TYR 42 -3.322 -8.062 -7.834 292 HH TYR 42 HH TYR 42 -3.058 -5.228 -9.609 293 H TYR 43 H TYR 43 2.416 -5.108 -2.634 294 HA TYR 43 HA TYR 43 4.113 -7.082 -1.388 295 HB2 TYR 43 1HB TYR 43 3.192 -4.274 -0.735 296 HB3 TYR 43 2HB TYR 43 4.209 -5.175 0.380 297 HD1 TYR 43 2HD TYR 43 4.168 -3.959 -3.201 298 HD2 TYR 43 1HD TYR 43 6.542 -5.167 0.180 299 HE1 TYR 43 2HE TYR 43 6.197 -3.327 -4.424 300 HE2 TYR 43 1HE TYR 43 8.589 -4.491 -1.017 301 HH TYR 43 HH TYR 43 8.541 -3.254 -4.375 302 H TYR 44 H TYR 44 3.942 -7.797 0.793 303 HA TYR 44 HA TYR 44 1.150 -8.113 1.789 304 HB2 TYR 44 1HB TYR 44 2.030 -10.231 1.055 305 HB3 TYR 44 2HB TYR 44 3.492 -10.017 1.971 306 HD1 TYR 44 1HD TYR 44 -0.231 -10.055 2.389 307 HD2 TYR 44 2HD TYR 44 3.590 -10.788 4.244 308 HE1 TYR 44 1HE TYR 44 -1.388 -11.074 4.304 309 HE2 TYR 44 2HE TYR 44 2.431 -11.894 6.179 310 HH TYR 44 HH TYR 44 0.280 -12.755 6.966 311 H ASN 45 H ASN 45 0.810 -6.964 3.452 312 HA ASN 45 HA ASN 45 2.970 -5.855 5.162 313 HB2 ASN 45 1HB ASN 45 1.316 -4.314 4.265 314 HB3 ASN 45 2HB ASN 45 0.001 -5.293 4.951 315 HD21 ASN 45 1HD2 ASN 45 -0.833 -3.799 6.457 316 HD22 ASN 45 2HD2 ASN 45 0.132 -3.132 7.756 317 H ALA 46 H ALA 46 3.442 -8.046 6.020 318 HA ALA 46 HA ALA 46 1.831 -9.740 7.421 319 HB1 ALA 46 1HB ALA 46 4.571 -8.644 8.249 320 HB2 ALA 46 2HB ALA 46 3.834 -10.123 8.872 321 HB3 ALA 46 3HB ALA 46 4.271 -10.031 7.158 322 H GLN 47 H GLN 47 3.004 -6.587 8.566 323 HA GLN 47 HA GLN 47 2.512 -6.475 11.132 324 HB2 GLN 47 1HB GLN 47 3.152 -4.725 9.151 325 HB3 GLN 47 2HB GLN 47 1.528 -4.137 9.537 326 HG2 GLN 47 1HG GLN 47 2.233 -3.909 11.900 327 HG3 GLN 47 2HG GLN 47 3.838 -4.544 11.453 328 HE21 GLN 47 1HE2 GLN 47 5.447 -2.917 10.808 329 HE22 GLN 47 2HE2 GLN 47 4.935 -1.299 10.412 330 H SER 48 H SER 48 -0.058 -6.233 8.679 331 HA SER 48 HA SER 48 -2.051 -6.719 10.818 332 HB2 SER 48 1HB SER 48 -2.167 -4.616 8.632 333 HB3 SER 48 2HB SER 48 -3.524 -5.059 9.652 334 HG SER 48 HG SER 48 -2.110 -4.447 11.484 335 H GLN 49 H GLN 49 -0.627 -8.212 8.467 336 HA GLN 49 HA GLN 49 -1.007 -9.690 6.865 337 HB2 GLN 49 1HB GLN 49 -3.887 -9.914 7.761 338 HB3 GLN 49 2HB GLN 49 -2.926 -11.145 6.971 339 HG2 GLN 49 1HG GLN 49 -1.740 -11.680 8.963 340 HG3 GLN 49 2HG GLN 49 -2.240 -10.192 9.784 341 HE21 GLN 49 1HE2 GLN 49 -4.153 -10.220 11.011 342 HE22 GLN 49 2HE2 GLN 49 -5.335 -11.524 10.886 343 H GLN 50 H GLN 50 -1.784 -6.802 6.383 344 HA GLN 50 HA GLN 50 -3.968 -6.940 4.424 345 HB2 GLN 50 1HB GLN 50 -2.128 -4.634 5.253 346 HB3 GLN 50 2HB GLN 50 -3.482 -4.485 4.122 347 HG2 GLN 50 1HG GLN 50 -3.577 -5.111 7.081 348 HG3 GLN 50 2HG GLN 50 -4.147 -3.663 6.260 349 HE21 GLN 50 1HE2 GLN 50 -4.786 -7.039 6.979 350 HE22 GLN 50 2HE2 GLN 50 -6.396 -7.092 6.328 351 H TYR 51 H TYR 51 -3.683 -6.009 2.244 352 HA TYR 51 HA TYR 51 -1.008 -6.638 1.064 353 HB2 TYR 51 1HB TYR 51 -3.817 -6.981 0.025 354 HB3 TYR 51 2HB TYR 51 -2.446 -6.752 -1.061 355 HD1 TYR 51 1HD TYR 51 -3.753 -8.969 1.683 356 HD2 TYR 51 2HD TYR 51 -0.793 -8.441 -1.412 357 HE1 TYR 51 1HE TYR 51 -3.138 -11.359 1.869 358 HE2 TYR 51 2HE TYR 51 -0.196 -10.844 -1.261 359 HH TYR 51 HH TYR 51 -1.044 -12.963 -0.459 360 H LEU 52 H LEU 52 0.000 -5.132 -0.071 361 HA LEU 52 HA LEU 52 -1.166 -2.419 -0.350 362 HB2 LEU 52 1HB LEU 52 1.587 -3.080 0.710 363 HB3 LEU 52 2HB LEU 52 0.938 -1.470 0.493 364 HG LEU 52 HG LEU 52 0.022 -3.528 2.540 365 HD11 LEU 52 1HD1 LEU 52 1.556 -0.904 2.764 366 HD12 LEU 52 2HD1 LEU 52 2.242 -2.527 2.942 367 HD13 LEU 52 3HD1 LEU 52 1.073 -1.926 4.136 368 HD21 LEU 52 3HD2 LEU 52 -0.960 -0.685 2.064 369 HD22 LEU 52 1HD2 LEU 52 -1.211 -1.574 3.579 370 HD23 LEU 52 2HD2 LEU 52 -1.914 -2.195 2.094 371 H TYR 53 H TYR 53 0.673 -1.092 -1.692 372 HA TYR 53 HA TYR 53 2.350 -2.815 -3.303 373 HB2 TYR 53 1HB TYR 53 1.736 -1.993 -5.438 374 HB3 TYR 53 2HB TYR 53 0.345 -2.726 -4.695 375 HD1 TYR 53 1HD TYR 53 -1.397 -1.051 -3.534 376 HD2 TYR 53 2HD TYR 53 1.569 0.116 -6.421 377 HE1 TYR 53 1HE TYR 53 -2.812 0.846 -4.181 378 HE2 TYR 53 2HE TYR 53 0.133 2.041 -7.108 379 HH TYR 53 HH TYR 53 -3.037 2.740 -5.597 380 H TRP 54 H TRP 54 3.982 -1.571 -4.435 381 HA TRP 54 HA TRP 54 4.784 0.938 -3.062 382 HB2 TRP 54 1HB TRP 54 6.553 -0.721 -3.175 383 HB3 TRP 54 2HB TRP 54 6.211 -1.073 -4.865 384 HD1 TRP 54 HD TRP 54 7.773 0.073 -6.560 385 HE1 TRP 54 1HE TRP 54 9.374 2.031 -6.549 386 HE3 TRP 54 3HE TRP 54 6.746 1.872 -1.885 387 HZ2 TRP 54 2HZ TRP 54 9.948 4.320 -4.806 388 HZ3 TRP 54 3HZ TRP 54 7.813 3.906 -1.077 389 HH2 TRP 54 HH TRP 54 9.435 5.161 -2.510 390 H ASP 55 H ASP 55 4.320 2.855 -4.151 391 HA ASP 55 HA ASP 55 3.914 2.610 -7.087 392 HB2 ASP 55 1HB ASP 55 1.817 3.081 -5.686 393 HB3 ASP 55 2HB ASP 55 2.479 4.693 -5.455 394 H GLY 56 H GLY 56 5.593 3.419 -8.055 395 HA2 GLY 56 1HA GLY 56 7.470 5.127 -6.749 396 HA3 GLY 56 2HA GLY 56 7.507 4.607 -8.428 397 H GLU 57 H GLU 57 4.492 6.138 -8.140 398 HA GLU 57 HA GLU 57 5.572 8.636 -9.240 399 HB2 GLU 57 1HB GLU 57 3.120 9.312 -9.036 400 HB3 GLU 57 2HB GLU 57 3.600 8.133 -10.254 401 HG2 GLU 57 1HG GLU 57 2.633 6.340 -9.103 402 HG3 GLU 57 2HG GLU 57 2.372 7.278 -7.620 403 H ARG 58 H ARG 58 3.709 7.649 -6.382 404 HA ARG 58 HA ARG 58 4.157 10.253 -5.059 405 HB2 ARG 58 1HB ARG 58 2.728 7.713 -4.225 406 HB3 ARG 58 2HB ARG 58 2.633 9.241 -3.351 407 HG2 ARG 58 1HG ARG 58 1.193 10.214 -4.897 408 HG3 ARG 58 2HG ARG 58 1.817 9.278 -6.270 409 HD2 ARG 58 1HD ARG 58 0.854 7.238 -5.406 410 HD3 ARG 58 2HD ARG 58 0.174 8.091 -4.011 411 HE ARG 58 HE ARG 58 -0.524 8.395 -6.894 412 HH11 ARG 58 1HH1 ARG 58 -1.556 8.783 -3.514 413 HH12 ARG 58 2HH1 ARG 58 -3.260 8.759 -3.877 414 HH21 ARG 58 1HH2 ARG 58 -2.736 8.259 -7.335 415 HH22 ARG 58 2HH2 ARG 58 -3.967 8.554 -6.136 416 H ARG 59 H ARG 59 5.764 7.325 -5.352 417 HA ARG 59 HA ARG 59 7.286 6.111 -4.148 418 HB2 ARG 59 1HB ARG 59 8.153 8.890 -3.274 419 HB3 ARG 59 2HB ARG 59 9.071 7.423 -2.975 420 HG2 ARG 59 1HG ARG 59 10.111 8.356 -4.814 421 HG3 ARG 59 2HG ARG 59 9.133 7.047 -5.498 422 HD2 ARG 59 1HD ARG 59 7.432 8.679 -6.212 423 HD3 ARG 59 2HD ARG 59 8.291 9.994 -5.428 424 HE ARG 59 HE ARG 59 8.855 8.615 -7.937 425 HH11 ARG 59 1HH1 ARG 59 10.071 10.846 -5.477 426 HH12 ARG 59 2HH1 ARG 59 11.236 11.618 -6.494 427 HH21 ARG 59 1HH2 ARG 59 10.447 9.542 -9.303 428 HH22 ARG 59 2HH2 ARG 59 11.392 10.921 -8.766 429 H THR 60 H THR 60 5.074 5.568 -2.977 430 HA THR 60 HA THR 60 5.857 5.522 -0.193 431 HB THR 60 HB THR 60 4.560 7.648 -0.404 432 HG1 THR 60 1HG THR 60 3.541 7.340 1.435 433 HG21 THR 60 3HG2 THR 60 2.911 6.917 -2.115 434 HG22 THR 60 1HG2 THR 60 2.137 7.603 -0.688 435 HG23 THR 60 2HG2 THR 60 2.153 5.847 -0.924 436 H TYR 61 H TYR 61 3.900 4.220 0.968 437 HA TYR 61 HA TYR 61 3.224 1.900 -0.787 438 HB2 TYR 61 1HB TYR 61 3.389 2.010 2.233 439 HB3 TYR 61 2HB TYR 61 2.988 0.601 1.254 440 HD1 TYR 61 2HD TYR 61 4.826 -0.024 -0.627 441 HD2 TYR 61 1HD TYR 61 5.622 2.382 2.857 442 HE1 TYR 61 2HE TYR 61 7.127 -0.980 -0.503 443 HE2 TYR 61 1HE TYR 61 7.943 1.571 2.886 444 HH TYR 61 HH TYR 61 8.951 -1.300 1.009 445 H VAL 62 H VAL 62 1.172 1.430 -1.134 446 HA VAL 62 HA VAL 62 -0.996 2.838 0.297 447 HB VAL 62 HB VAL 62 -1.993 2.660 -2.211 448 HG11 VAL 62 1HG1 VAL 62 -1.938 4.670 -0.781 449 HG12 VAL 62 2HG1 VAL 62 -0.240 4.935 -1.213 450 HG13 VAL 62 3HG1 VAL 62 -1.512 5.048 -2.455 451 HG21 VAL 62 3HG2 VAL 62 0.116 1.746 -3.157 452 HG22 VAL 62 1HG2 VAL 62 -0.392 3.265 -3.902 453 HG23 VAL 62 2HG2 VAL 62 0.956 3.237 -2.751 454 HA PRO 63 HA PRO 63 -2.756 -1.261 0.401 455 HB2 PRO 63 1HB PRO 63 -5.463 -0.760 0.479 456 HB3 PRO 63 2HB PRO 63 -4.345 -0.545 1.861 457 HG2 PRO 63 1HG PRO 63 -5.408 1.538 -0.051 458 HG3 PRO 63 2HG PRO 63 -5.232 1.647 1.729 459 HD2 PRO 63 1HD PRO 63 -3.396 2.735 0.008 460 HD3 PRO 63 2HD PRO 63 -2.907 2.041 1.570 461 H ALA 64 H ALA 64 -3.130 -2.802 -1.097 462 HA ALA 64 HA ALA 64 -3.866 -1.969 -3.868 463 HB1 ALA 64 1HB ALA 64 -1.709 -3.173 -3.651 464 HB2 ALA 64 2HB ALA 64 -2.534 -4.528 -2.856 465 HB3 ALA 64 3HB ALA 64 -2.898 -4.116 -4.551 466 H LEU 65 H LEU 65 -6.088 -1.757 -2.678 467 HA LEU 65 HA LEU 65 -7.459 -4.414 -2.465 468 HB2 LEU 65 1HB LEU 65 -7.859 -1.894 -0.832 469 HB3 LEU 65 2HB LEU 65 -8.756 -3.388 -0.651 470 HG LEU 65 HG LEU 65 -5.776 -3.039 -0.130 471 HD11 LEU 65 1HD1 LEU 65 -7.268 -1.897 1.493 472 HD12 LEU 65 2HD1 LEU 65 -6.386 -3.250 2.223 473 HD13 LEU 65 3HD1 LEU 65 -8.106 -3.428 1.801 474 HD21 LEU 65 3HD2 LEU 65 -5.817 -5.265 0.831 475 HD22 LEU 65 1HD2 LEU 65 -6.310 -5.368 -0.851 476 HD23 LEU 65 2HD2 LEU 65 -7.546 -5.459 0.436 477 H GLU 66 H GLU 66 -8.507 -4.538 -4.400 478 HA GLU 66 HA GLU 66 -10.051 -4.203 -5.982 479 HB2 GLU 66 1HB GLU 66 -11.414 -3.068 -4.030 480 HB3 GLU 66 2HB GLU 66 -10.918 -1.565 -4.819 481 HG2 GLU 66 1HG GLU 66 -13.059 -2.037 -5.600 482 HG3 GLU 66 2HG GLU 66 -12.030 -2.459 -6.953 483 H GLN 67 H GLN 67 -7.768 -1.886 -5.171 484 HA GLN 67 HA GLN 67 -7.465 -0.229 -7.353 485 HB2 GLN 67 1HB GLN 67 -5.915 -0.836 -5.212 486 HB3 GLN 67 2HB GLN 67 -4.984 -1.669 -6.445 487 HG2 GLN 67 1HG GLN 67 -5.861 1.254 -6.554 488 HG3 GLN 67 2HG GLN 67 -4.298 0.692 -5.975 489 HE21 GLN 67 1HE2 GLN 67 -4.448 2.614 -8.040 490 HE22 GLN 67 2HE2 GLN 67 -3.827 1.821 -9.483 491 H SER 68 H SER 68 -7.362 -0.549 -9.413 492 HA SER 68 HA SER 68 -5.944 -2.380 -10.932 493 HB2 SER 68 1HB SER 68 -8.833 -3.150 -10.406 494 HB3 SER 68 2HB SER 68 -8.088 -3.493 -11.975 495 HG SER 68 HG SER 68 -6.955 -4.210 -9.481 496 H ALA 69 H ALA 69 -5.462 -0.765 -12.283 497 HA ALA 69 HA ALA 69 -5.566 0.820 -13.835 498 HB1 ALA 69 1HB ALA 69 -7.197 0.592 -15.591 499 HB2 ALA 69 2HB ALA 69 -6.817 -1.013 -15.008 500 HB3 ALA 69 3HB ALA 69 -8.330 -0.237 -14.515 501 H ASP 70 H ASP 70 -7.388 2.471 -14.949 502 HA ASP 70 HA ASP 70 -7.676 4.389 -12.717 503 HB2 ASP 70 1HB ASP 70 -6.674 4.539 -15.539 504 HB3 ASP 70 2HB ASP 70 -7.524 5.931 -14.909 505 H GLY 71 H GLY 71 -9.681 4.738 -12.145 506 HA2 GLY 71 1HA GLY 71 -11.834 4.962 -14.143 507 HA3 GLY 71 2HA GLY 71 -12.022 3.893 -12.740 508 H HIS 72 H HIS 72 -10.191 6.822 -12.325 509 HA HIS 72 HA HIS 72 -10.352 8.579 -10.999 510 HB2 HIS 72 1HB HIS 72 -11.540 9.310 -13.047 511 HB3 HIS 72 2HB HIS 72 -13.081 8.898 -12.289 512 HD1 HIS 72 1HD HIS 72 -14.130 11.312 -11.892 513 HD2 HIS 72 2HD HIS 72 -10.076 10.931 -10.775 514 HE1 HIS 72 1HE HIS 72 -13.524 13.438 -10.737 515 H LYS 73 H LYS 73 -10.570 6.576 -9.346 516 HA LYS 73 HA LYS 73 -12.577 7.436 -7.353 517 HB2 LYS 73 1HB LYS 73 -12.146 4.593 -8.346 518 HB3 LYS 73 2HB LYS 73 -12.829 4.955 -6.753 519 HG2 LYS 73 1HG LYS 73 -14.644 6.239 -7.751 520 HG3 LYS 73 2HG LYS 73 -13.994 6.020 -9.365 521 HD2 LYS 73 1HD LYS 73 -14.754 3.588 -7.716 522 HD3 LYS 73 2HD LYS 73 -15.970 4.558 -8.566 523 HE2 LYS 73 1HE LYS 73 -14.507 4.367 -10.657 524 HE3 LYS 73 2HE LYS 73 -13.601 3.106 -9.813 525 HZ1 LYS 73 3HZ LYS 73 -15.425 2.290 -11.236 526 HZ2 LYS 73 1HZ LYS 73 -16.518 3.053 -10.286 527 HZ3 LYS 73 2HZ LYS 73 -15.597 1.810 -9.682 528 H GLU 74 H GLU 74 -11.784 7.207 -5.203 529 HA GLU 74 HA GLU 74 -8.918 6.974 -4.838 530 HB2 GLU 74 1HB GLU 74 -11.189 7.834 -3.265 531 HB3 GLU 74 2HB GLU 74 -10.465 6.500 -2.416 532 HG2 GLU 74 1HG GLU 74 -8.220 7.998 -3.042 533 HG3 GLU 74 2HG GLU 74 -9.451 9.258 -2.896 534 H THR 75 H THR 75 -8.831 4.837 -6.047 535 HA THR 75 HA THR 75 -8.209 2.651 -5.906 536 HB THR 75 HB THR 75 -8.657 3.036 -2.901 537 HG1 THR 75 1HG THR 75 -7.089 4.403 -3.305 538 HG21 THR 75 3HG2 THR 75 -7.117 1.383 -2.463 539 HG22 THR 75 1HG2 THR 75 -6.980 0.962 -4.208 540 HG23 THR 75 2HG2 THR 75 -8.526 0.763 -3.319 541 H GLY 76 H GLY 76 -11.072 3.271 -3.909 542 HA2 GLY 76 1HA GLY 76 -12.725 1.069 -4.815 543 HA3 GLY 76 2HA GLY 76 -11.605 0.620 -3.521 544 H ALA 77 H ALA 77 -13.350 3.733 -4.051 545 HA ALA 77 HA ALA 77 -14.871 3.238 -1.533 546 HB1 ALA 77 1HB ALA 77 -13.266 4.945 -1.109 547 HB2 ALA 77 2HB ALA 77 -13.800 5.867 -2.541 548 HB3 ALA 77 3HB ALA 77 -14.911 5.619 -1.177 549 HA PRO 78 HA PRO 78 -17.683 3.582 -5.229 550 HB2 PRO 78 1HB PRO 78 -19.014 1.226 -4.999 551 HB3 PRO 78 2HB PRO 78 -17.341 1.316 -5.631 552 HG2 PRO 78 1HG PRO 78 -18.209 0.723 -2.764 553 HG3 PRO 78 2HG PRO 78 -17.145 -0.268 -3.826 554 HD2 PRO 78 1HD PRO 78 -16.061 1.549 -2.093 555 HD3 PRO 78 2HD PRO 78 -15.421 1.309 -3.751 556 H SER 79 H SER 79 -18.147 3.836 -1.926 557 HA SER 79 HA SER 79 -19.829 4.524 -0.543 558 HB2 SER 79 1HB SER 79 -19.929 6.259 -2.977 559 HB3 SER 79 2HB SER 79 -20.594 6.682 -1.386 560 HG SER 79 HG SER 79 -18.380 7.323 -1.617 561 H LYS 80 H LYS 80 -20.988 2.213 -2.136 562 HA LYS 80 HA LYS 80 -23.789 2.935 -1.395 563 HB2 LYS 80 1HB LYS 80 -23.139 1.108 -3.721 564 HB3 LYS 80 2HB LYS 80 -24.734 1.563 -3.110 565 HG2 LYS 80 1HG LYS 80 -24.223 3.969 -3.622 566 HG3 LYS 80 2HG LYS 80 -22.726 3.454 -4.386 567 HD2 LYS 80 1HD LYS 80 -24.119 3.629 -6.195 568 HD3 LYS 80 2HD LYS 80 -24.205 1.903 -5.863 569 HE2 LYS 80 1HE LYS 80 -26.234 3.255 -4.282 570 HE3 LYS 80 2HE LYS 80 -26.320 3.902 -5.915 571 HZ1 LYS 80 3HZ LYS 80 -27.729 1.976 -5.654 572 HZ2 LYS 80 1HZ LYS 80 -26.440 1.030 -5.232 573 HZ3 LYS 80 2HZ LYS 80 -26.519 1.624 -6.738 574 H GLU 81 H GLU 81 -21.560 1.726 0.144 575 HA GLU 81 HA GLU 81 -23.061 -0.669 0.974 576 HB2 GLU 81 1HB GLU 81 -20.920 -1.226 -0.212 577 HB3 GLU 81 2HB GLU 81 -20.031 -0.401 1.048 578 HG2 GLU 81 1HG GLU 81 -20.171 -2.950 1.152 579 HG3 GLU 81 2HG GLU 81 -20.517 -2.087 2.640 580 H GLY 82 H GLY 82 -22.976 2.291 1.726 581 HA2 GLY 82 1HA GLY 82 -23.701 3.298 3.655 582 HA3 GLY 82 2HA GLY 82 -23.507 1.758 4.497 583 H LYS 83 H LYS 83 -20.475 2.453 3.135 584 HA LYS 83 HA LYS 83 -19.621 3.951 5.534 585 HB2 LYS 83 1HB LYS 83 -17.480 3.061 5.402 586 HB3 LYS 83 2HB LYS 83 -18.577 1.706 5.185 587 HG2 LYS 83 1HG LYS 83 -18.099 2.394 2.576 588 HG3 LYS 83 2HG LYS 83 -16.598 2.932 3.303 589 HD2 LYS 83 1HD LYS 83 -17.804 0.132 3.511 590 HD3 LYS 83 2HD LYS 83 -16.512 0.612 2.411 591 HE2 LYS 83 1HE LYS 83 -15.030 1.157 4.300 592 HE3 LYS 83 2HE LYS 83 -16.304 0.702 5.444 593 HZ1 LYS 83 3HZ LYS 83 -15.033 -1.090 3.473 594 HZ2 LYS 83 1HZ LYS 83 -16.236 -1.541 4.507 595 HZ3 LYS 83 2HZ LYS 83 -14.757 -1.123 5.092 596 H GLU 84 H GLU 84 -20.884 4.631 2.781 597 HA GLU 84 HA GLU 84 -19.410 6.290 1.149 598 HB2 GLU 84 1HB GLU 84 -21.582 7.273 0.663 599 HB3 GLU 84 2HB GLU 84 -21.680 5.508 0.765 600 HG2 GLU 84 1HG GLU 84 -22.848 5.517 2.794 601 HG3 GLU 84 2HG GLU 84 -22.386 7.159 3.195 602 H LYS 85 H LYS 85 -20.115 6.853 4.451 603 HA LYS 85 HA LYS 85 -19.708 9.797 4.249 604 HB2 LYS 85 1HB LYS 85 -20.957 10.011 6.317 605 HB3 LYS 85 2HB LYS 85 -21.937 9.220 5.093 606 HG2 LYS 85 1HG LYS 85 -21.691 7.062 6.140 607 HG3 LYS 85 2HG LYS 85 -20.401 7.630 7.215 608 HD2 LYS 85 1HD LYS 85 -21.923 9.054 8.447 609 HD3 LYS 85 2HD LYS 85 -23.224 8.737 7.288 610 HE2 LYS 85 1HE LYS 85 -23.025 6.271 7.871 611 HE3 LYS 85 2HE LYS 85 -21.957 6.731 9.202 612 HZ1 LYS 85 3HZ LYS 85 -23.782 8.042 10.110 613 HZ2 LYS 85 1HZ LYS 85 -24.284 6.495 9.862 614 HZ3 LYS 85 2HZ LYS 85 -24.731 7.668 8.816 615 H LYS 86 H LYS 86 -17.884 7.125 4.756 616 HA LYS 86 HA LYS 86 -16.280 8.450 6.805 617 HB2 LYS 86 1HB LYS 86 -16.348 6.609 8.405 618 HB3 LYS 86 2HB LYS 86 -17.924 7.355 8.168 619 HG2 LYS 86 1HG LYS 86 -18.423 5.382 6.578 620 HG3 LYS 86 2HG LYS 86 -16.962 4.628 7.260 621 HD2 LYS 86 1HD LYS 86 -18.037 5.190 9.573 622 HD3 LYS 86 2HD LYS 86 -19.524 5.479 8.659 623 HE2 LYS 86 1HE LYS 86 -19.347 3.123 7.760 624 HE3 LYS 86 2HE LYS 86 -17.918 2.892 8.804 625 HZ1 LYS 86 3HZ LYS 86 -19.803 2.096 9.954 626 HZ2 LYS 86 1HZ LYS 86 -20.682 3.445 9.640 627 HZ3 LYS 86 2HZ LYS 86 -19.389 3.515 10.685 628 H GLU 87 H GLU 87 -15.796 7.802 4.016 629 HA GLU 87 HA GLU 87 -14.551 5.552 3.392 630 HB2 GLU 87 1HB GLU 87 -13.733 8.391 2.642 631 HB3 GLU 87 2HB GLU 87 -12.899 6.968 2.018 632 HG2 GLU 87 1HG GLU 87 -14.352 7.332 0.337 633 HG3 GLU 87 2HG GLU 87 -15.237 6.121 1.252 634 H LYS 88 H LYS 88 -12.557 8.265 4.851 635 HA LYS 88 HA LYS 88 -10.459 6.304 5.436 636 HB2 LYS 88 1HB LYS 88 -10.738 9.264 5.927 637 HB3 LYS 88 2HB LYS 88 -9.683 8.340 6.991 638 HG2 LYS 88 1HG LYS 88 -8.344 9.155 5.208 639 HG3 LYS 88 2HG LYS 88 -8.457 7.407 5.077 640 HD2 LYS 88 1HD LYS 88 -10.255 7.755 3.262 641 HD3 LYS 88 2HD LYS 88 -9.911 9.488 3.425 642 HE2 LYS 88 1HE LYS 88 -8.447 9.002 1.728 643 HE3 LYS 88 2HE LYS 88 -7.403 8.696 3.119 644 HZ1 LYS 88 3HZ LYS 88 -8.682 6.840 1.275 645 HZ2 LYS 88 1HZ LYS 88 -8.209 6.275 2.793 646 HZ3 LYS 88 2HZ LYS 88 -7.148 6.918 1.696 647 H HIS 89 H HIS 89 -12.078 8.433 7.813 648 HA HIS 89 HA HIS 89 -12.830 6.107 9.462 649 HB2 HIS 89 1HB HIS 89 -10.397 6.599 9.907 650 HB3 HIS 89 2HB HIS 89 -10.856 8.213 10.451 651 HD1 HIS 89 1HD HIS 89 -11.096 8.304 13.032 652 HD2 HIS 89 2HD HIS 89 -11.957 4.544 11.342 653 HE1 HIS 89 1HE HIS 89 -11.636 6.734 14.976 654 H LYS 90 H LYS 90 -14.384 8.166 8.090 655 HA LYS 90 HA LYS 90 -16.065 9.695 8.442 656 HB2 LYS 90 1HB LYS 90 -16.606 7.848 10.262 657 HB3 LYS 90 2HB LYS 90 -16.063 9.075 11.392 658 HG2 LYS 90 1HG LYS 90 -17.809 10.631 10.523 659 HG3 LYS 90 2HG LYS 90 -18.300 9.405 9.359 660 HD2 LYS 90 1HD LYS 90 -19.873 9.209 11.027 661 HD3 LYS 90 2HD LYS 90 -18.779 7.883 11.407 662 HE2 LYS 90 1HE LYS 90 -18.765 10.642 12.744 663 HE3 LYS 90 2HE LYS 90 -19.620 9.236 13.368 664 HZ1 LYS 90 3HZ LYS 90 -17.633 9.328 14.510 665 HZ2 LYS 90 1HZ LYS 90 -16.715 9.634 13.213 666 HZ3 LYS 90 2HZ LYS 90 -17.355 8.121 13.410 667 H THR 91 H THR 91 -13.099 10.421 8.819 668 HA THR 91 HA THR 91 -12.920 12.314 10.872 669 HB THR 91 HB THR 91 -11.123 12.611 8.526 670 HG1 THR 91 1HG THR 91 -10.146 10.482 9.059 671 HG21 THR 91 3HG2 THR 91 -10.697 13.350 10.902 672 HG22 THR 91 1HG2 THR 91 -9.446 12.284 10.266 673 HG23 THR 91 2HG2 THR 91 -10.667 11.640 11.380 674 H LYS 92 H LYS 92 -12.368 14.753 10.333 675 HA LYS 92 HA LYS 92 -14.157 15.778 8.185 676 HB2 LYS 92 1HB LYS 92 -12.899 17.035 10.645 677 HB3 LYS 92 2HB LYS 92 -13.188 18.010 9.199 678 HG2 LYS 92 1HG LYS 92 -15.549 17.516 9.215 679 HG3 LYS 92 2HG LYS 92 -15.358 16.347 10.536 680 HD2 LYS 92 1HD LYS 92 -14.847 18.050 12.116 681 HD3 LYS 92 2HD LYS 92 -14.541 19.249 10.858 682 HE2 LYS 92 1HE LYS 92 -16.636 19.777 11.902 683 HE3 LYS 92 2HE LYS 92 -16.919 19.288 10.231 684 HZ1 LYS 92 3HZ LYS 92 -18.515 18.338 11.745 685 HZ2 LYS 92 1HZ LYS 92 -17.347 17.549 12.591 686 HZ3 LYS 92 2HZ LYS 92 -17.645 17.158 11.017 Start of MODEL 8 1 H1 GLY 1 H GLY 1 10.220 24.646 1.099 2 HA2 GLY 1 1HA GLY 1 11.837 27.131 1.078 3 HA3 GLY 1 2HA GLY 1 10.090 27.085 1.431 4 H HIS 2 H HIS 2 9.710 27.229 3.690 5 HA HIS 2 HA HIS 2 11.611 25.934 5.538 6 HB2 HIS 2 1HB HIS 2 8.816 27.029 6.041 7 HB3 HIS 2 2HB HIS 2 9.975 26.430 7.230 8 HD1 HIS 2 1HD HIS 2 8.980 29.277 7.751 9 HD2 HIS 2 2HD HIS 2 12.371 28.276 5.424 10 HE1 HIS 2 1HE HIS 2 10.513 31.312 7.745 11 H MET 3 H MET 3 10.980 24.052 6.750 12 HA MET 3 HA MET 3 9.004 22.261 5.431 13 HB2 MET 3 1HB MET 3 11.927 21.852 5.944 14 HB3 MET 3 2HB MET 3 10.843 20.511 6.301 15 HG2 MET 3 1HG MET 3 11.606 20.272 4.040 16 HG3 MET 3 2HG MET 3 9.883 20.593 4.068 17 HE1 MET 3 3HE MET 3 10.030 22.462 0.870 18 HE2 MET 3 1HE MET 3 10.257 20.793 1.429 19 HE3 MET 3 2HE MET 3 8.966 21.798 2.128 20 H GLN 4 H GLN 4 8.271 20.541 6.877 21 HA GLN 4 HA GLN 4 8.827 20.793 9.755 22 HB2 GLN 4 1HB GLN 4 6.069 21.107 8.490 23 HB3 GLN 4 2HB GLN 4 6.242 20.213 9.992 24 HG2 GLN 4 1HG GLN 4 7.528 22.254 10.901 25 HG3 GLN 4 2HG GLN 4 6.875 23.130 9.511 26 HE21 GLN 4 1HE2 GLN 4 5.911 21.058 12.313 27 HE22 GLN 4 2HE2 GLN 4 4.482 21.990 12.702 28 H GLU 5 H GLU 5 6.777 19.101 7.342 29 HA GLU 5 HA GLU 5 7.292 16.553 8.734 30 HB2 GLU 5 1HB GLU 5 5.272 15.822 7.871 31 HB3 GLU 5 2HB GLU 5 5.000 17.507 8.344 32 HG2 GLU 5 1HG GLU 5 5.747 17.953 5.841 33 HG3 GLU 5 2HG GLU 5 5.267 16.278 5.609 34 H SER 6 H SER 6 7.988 18.164 5.726 35 HA SER 6 HA SER 6 8.857 17.562 3.768 36 HB2 SER 6 1HB SER 6 10.718 15.926 5.500 37 HB3 SER 6 2HB SER 6 11.040 16.513 3.857 38 HG SER 6 HG SER 6 11.011 17.848 6.275 39 H TYR 7 H TYR 7 6.801 16.436 3.217 40 HA TYR 7 HA TYR 7 7.354 13.563 2.667 41 HB2 TYR 7 1HB TYR 7 4.889 14.819 3.598 42 HB3 TYR 7 2HB TYR 7 4.663 14.039 2.041 43 HD1 TYR 7 2HD TYR 7 5.464 11.625 1.710 44 HD2 TYR 7 1HD TYR 7 5.059 13.480 5.589 45 HE1 TYR 7 2HE TYR 7 5.589 9.393 2.792 46 HE2 TYR 7 1HE TYR 7 5.092 11.286 6.663 47 HH TYR 7 HH TYR 7 5.995 8.341 4.854 48 H SER 8 H SER 8 6.878 12.813 0.554 49 HA SER 8 HA SER 8 6.496 14.631 -1.615 50 HB2 SER 8 1HB SER 8 8.908 15.054 -0.638 51 HB3 SER 8 2HB SER 8 9.267 13.431 -1.245 52 HG SER 8 HG SER 8 8.655 15.809 -2.635 53 H GLN 9 H GLN 9 7.814 13.103 -3.594 54 HA GLN 9 HA GLN 9 6.365 10.630 -3.652 55 HB2 GLN 9 1HB GLN 9 8.468 11.862 -5.458 56 HB3 GLN 9 2HB GLN 9 7.810 10.247 -5.730 57 HG2 GLN 9 1HG GLN 9 5.504 11.195 -5.763 58 HG3 GLN 9 2HG GLN 9 6.194 12.825 -5.668 59 HE21 GLN 9 1HE2 GLN 9 4.645 11.212 -7.819 60 HE22 GLN 9 2HE2 GLN 9 5.529 11.571 -9.286 61 H TYR 10 H TYR 10 7.574 8.609 -4.117 62 HA TYR 10 HA TYR 10 9.561 8.065 -2.005 63 HB2 TYR 10 1HB TYR 10 7.582 6.479 -3.631 64 HB3 TYR 10 2HB TYR 10 8.907 5.692 -2.831 65 HD1 TYR 10 2HD TYR 10 6.211 8.171 -2.015 66 HD2 TYR 10 1HD TYR 10 8.675 4.916 -0.676 67 HE1 TYR 10 2HE TYR 10 4.938 8.108 0.111 68 HE2 TYR 10 1HE TYR 10 7.451 4.855 1.480 69 HH TYR 10 HH TYR 10 6.130 6.781 2.868 70 HA PRO 11 HA PRO 11 12.774 7.339 -5.099 71 HB2 PRO 11 1HB PRO 11 14.302 5.356 -4.036 72 HB3 PRO 11 2HB PRO 11 14.136 6.941 -3.241 73 HG2 PRO 11 1HG PRO 11 12.521 4.426 -2.662 74 HG3 PRO 11 2HG PRO 11 13.461 5.413 -1.495 75 HD2 PRO 11 1HD PRO 11 10.814 5.816 -1.832 76 HD3 PRO 11 2HD PRO 11 11.909 7.212 -1.640 77 H VAL 12 H VAL 12 13.934 5.197 -6.195 78 HA VAL 12 HA VAL 12 11.757 3.493 -7.263 79 HB VAL 12 HB VAL 12 14.381 4.188 -8.627 80 HG11 VAL 12 1HG1 VAL 12 13.379 1.985 -9.295 81 HG12 VAL 12 2HG1 VAL 12 11.819 2.792 -9.577 82 HG13 VAL 12 3HG1 VAL 12 13.222 3.174 -10.594 83 HG21 VAL 12 3HG2 VAL 12 11.559 5.210 -8.992 84 HG22 VAL 12 1HG2 VAL 12 12.967 6.189 -8.522 85 HG23 VAL 12 2HG2 VAL 12 12.875 5.492 -10.152 86 HA PRO 13 HA PRO 13 14.462 0.618 -4.815 87 HB2 PRO 13 1HB PRO 13 12.528 -1.130 -4.083 88 HB3 PRO 13 2HB PRO 13 12.751 0.429 -3.228 89 HG2 PRO 13 1HG PRO 13 10.764 -0.177 -5.443 90 HG3 PRO 13 2HG PRO 13 10.446 0.582 -3.853 91 HD2 PRO 13 1HD PRO 13 10.831 2.109 -6.049 92 HD3 PRO 13 2HD PRO 13 11.556 2.575 -4.475 93 H ASP 14 H ASP 14 15.003 -1.679 -5.452 94 HA ASP 14 HA ASP 14 13.643 -2.636 -7.904 95 HB2 ASP 14 1HB ASP 14 15.874 -1.544 -8.523 96 HB3 ASP 14 2HB ASP 14 16.652 -2.865 -7.657 97 H VAL 15 H VAL 15 13.155 -4.762 -7.734 98 HA VAL 15 HA VAL 15 13.402 -6.085 -5.273 99 HB VAL 15 HB VAL 15 11.558 -6.554 -6.648 100 HG11 VAL 15 1HG1 VAL 15 13.479 -7.403 -8.858 101 HG12 VAL 15 2HG1 VAL 15 11.725 -7.664 -8.885 102 HG13 VAL 15 3HG1 VAL 15 12.371 -6.027 -8.891 103 HG21 VAL 15 3HG2 VAL 15 11.533 -8.954 -6.905 104 HG22 VAL 15 1HG2 VAL 15 13.286 -9.027 -6.762 105 HG23 VAL 15 2HG2 VAL 15 12.291 -8.475 -5.380 106 H SER 16 H SER 16 15.717 -5.931 -7.933 107 HA SER 16 HA SER 16 17.281 -8.202 -7.254 108 HB2 SER 16 1HB SER 16 18.121 -5.482 -8.329 109 HB3 SER 16 2HB SER 16 19.107 -6.948 -8.331 110 HG SER 16 HG SER 16 16.852 -7.667 -9.463 111 H THR 17 H THR 17 16.833 -5.219 -5.382 112 HA THR 17 HA THR 17 19.165 -6.036 -3.727 113 HB THR 17 HB THR 17 19.751 -3.833 -3.310 114 HG1 THR 17 1HG THR 17 18.641 -2.087 -4.195 115 HG21 THR 17 3HG2 THR 17 20.393 -3.035 -5.476 116 HG22 THR 17 1HG2 THR 17 18.976 -3.753 -6.255 117 HG23 THR 17 2HG2 THR 17 20.301 -4.785 -5.636 118 H TYR 18 H TYR 18 16.176 -6.702 -3.633 119 HA TYR 18 HA TYR 18 15.553 -6.095 -0.827 120 HB2 TYR 18 1HB TYR 18 14.332 -8.045 -2.788 121 HB3 TYR 18 2HB TYR 18 13.753 -7.658 -1.178 122 HD1 TYR 18 1HD TYR 18 14.518 -4.559 -1.649 123 HD2 TYR 18 2HD TYR 18 11.915 -7.537 -3.307 124 HE1 TYR 18 1HE TYR 18 13.115 -2.775 -2.580 125 HE2 TYR 18 2HE TYR 18 10.470 -5.808 -4.263 126 HH TYR 18 HH TYR 18 10.974 -2.346 -3.541 127 H GLN 19 H GLN 19 15.556 -7.795 0.718 128 HA GLN 19 HA GLN 19 17.830 -9.760 0.433 129 HB2 GLN 19 1HB GLN 19 16.676 -8.324 2.859 130 HB3 GLN 19 2HB GLN 19 17.930 -9.570 2.907 131 HG2 GLN 19 1HG GLN 19 19.338 -8.146 1.393 132 HG3 GLN 19 2HG GLN 19 18.098 -6.894 1.468 133 HE21 GLN 19 1HE2 GLN 19 18.064 -8.024 4.660 134 HE22 GLN 19 2HE2 GLN 19 19.302 -6.922 5.249 135 H TYR 20 H TYR 20 17.046 -11.900 0.121 136 HA TYR 20 HA TYR 20 14.374 -12.683 0.610 137 HB2 TYR 20 1HB TYR 20 15.961 -13.631 -1.067 138 HB3 TYR 20 2HB TYR 20 16.959 -14.244 0.223 139 HD1 TYR 20 2HD TYR 20 13.266 -14.464 -0.687 140 HD2 TYR 20 1HD TYR 20 16.832 -16.558 0.567 141 HE1 TYR 20 2HE TYR 20 12.076 -16.596 -0.838 142 HE2 TYR 20 1HE TYR 20 15.683 -18.686 0.315 143 HH TYR 20 HH TYR 20 12.210 -18.965 -0.637 144 H ASP 21 H ASP 21 13.544 -14.395 2.030 145 HA ASP 21 HA ASP 21 15.244 -15.191 4.292 146 HB2 ASP 21 1HB ASP 21 12.646 -13.758 4.566 147 HB3 ASP 21 2HB ASP 21 12.704 -15.292 5.381 148 H GLU 22 H GLU 22 15.617 -17.184 3.600 149 HA GLU 22 HA GLU 22 13.919 -18.935 2.134 150 HB2 GLU 22 1HB GLU 22 15.380 -20.729 3.344 151 HB3 GLU 22 2HB GLU 22 16.154 -19.648 2.192 152 HG2 GLU 22 1HG GLU 22 17.159 -18.336 3.826 153 HG3 GLU 22 2HG GLU 22 16.080 -18.929 5.112 154 H THR 23 H THR 23 14.001 -18.111 5.583 155 HA THR 23 HA THR 23 12.652 -20.415 6.464 156 HB THR 23 HB THR 23 14.071 -18.700 7.705 157 HG1 THR 23 1HG THR 23 13.040 -20.436 8.702 158 HG21 THR 23 3HG2 THR 23 12.965 -16.915 8.893 159 HG22 THR 23 1HG2 THR 23 11.385 -17.376 8.236 160 HG23 THR 23 2HG2 THR 23 12.627 -16.693 7.174 161 H SER 24 H SER 24 11.323 -17.642 4.810 162 HA SER 24 HA SER 24 8.620 -18.856 5.110 163 HB2 SER 24 1HB SER 24 9.295 -15.902 5.431 164 HB3 SER 24 2HB SER 24 7.649 -16.552 5.274 165 HG SER 24 HG SER 24 9.077 -16.339 7.473 166 H GLY 25 H GLY 25 11.013 -17.553 2.961 167 HA2 GLY 25 1HA GLY 25 11.074 -17.986 0.770 168 HA3 GLY 25 2HA GLY 25 9.408 -18.525 0.777 169 H TYR 26 H TYR 26 9.760 -15.420 2.183 170 HA TYR 26 HA TYR 26 8.834 -14.071 -0.324 171 HB2 TYR 26 1HB TYR 26 8.393 -13.553 2.651 172 HB3 TYR 26 2HB TYR 26 8.318 -12.230 1.514 173 HD1 TYR 26 1HD TYR 26 6.978 -15.798 1.401 174 HD2 TYR 26 2HD TYR 26 6.168 -11.561 1.012 175 HE1 TYR 26 1HE TYR 26 4.798 -16.301 0.397 176 HE2 TYR 26 2HE TYR 26 3.959 -12.071 0.099 177 HH TYR 26 HH TYR 26 3.534 -14.690 -1.469 178 H TYR 27 H TYR 27 9.591 -11.767 -0.398 179 HA TYR 27 HA TYR 27 12.496 -11.554 0.184 180 HB2 TYR 27 1HB TYR 27 10.609 -10.406 -1.915 181 HB3 TYR 27 2HB TYR 27 12.211 -9.803 -1.743 182 HD1 TYR 27 1HD TYR 27 14.086 -12.008 -1.575 183 HD2 TYR 27 2HD TYR 27 10.216 -12.141 -3.434 184 HE1 TYR 27 1HE TYR 27 14.968 -13.620 -3.026 185 HE2 TYR 27 2HE TYR 27 11.092 -13.987 -4.926 186 HH TYR 27 HH TYR 27 14.507 -15.006 -4.834 187 H TYR 28 H TYR 28 13.198 -9.736 1.456 188 HA TYR 28 HA TYR 28 11.039 -8.092 2.643 189 HB2 TYR 28 1HB TYR 28 12.357 -9.365 4.279 190 HB3 TYR 28 2HB TYR 28 13.859 -8.812 3.553 191 HD1 TYR 28 1HD TYR 28 10.691 -7.240 4.817 192 HD2 TYR 28 2HD TYR 28 14.985 -7.069 4.658 193 HE1 TYR 28 1HE TYR 28 10.657 -5.293 6.344 194 HE2 TYR 28 2HE TYR 28 14.976 -5.068 6.116 195 HH TYR 28 HH TYR 28 13.603 -3.414 7.136 196 H ASP 29 H ASP 29 11.190 -5.913 2.493 197 HA ASP 29 HA ASP 29 12.907 -4.981 0.323 198 HB2 ASP 29 1HB ASP 29 10.257 -3.892 1.293 199 HB3 ASP 29 2HB ASP 29 11.088 -3.574 -0.221 200 HA PRO 30 HA PRO 30 14.283 -2.754 4.216 201 HB2 PRO 30 1HB PRO 30 16.895 -2.267 3.367 202 HB3 PRO 30 2HB PRO 30 16.343 -3.727 4.270 203 HG2 PRO 30 1HG PRO 30 16.784 -3.369 1.304 204 HG3 PRO 30 2HG PRO 30 17.217 -4.771 2.342 205 HD2 PRO 30 1HD PRO 30 15.004 -4.806 0.796 206 HD3 PRO 30 2HD PRO 30 14.994 -5.497 2.450 207 H GLN 31 H GLN 31 13.802 -1.766 1.089 208 HA GLN 31 HA GLN 31 14.898 0.930 1.311 209 HB2 GLN 31 1HB GLN 31 12.937 -0.370 -0.657 210 HB3 GLN 31 2HB GLN 31 13.494 1.298 -0.790 211 HG2 GLN 31 1HG GLN 31 15.266 -1.189 -0.939 212 HG3 GLN 31 2HG GLN 31 14.791 -0.147 -2.282 213 HE21 GLN 31 1HE2 GLN 31 17.567 -0.781 -0.729 214 HE22 GLN 31 2HE2 GLN 31 18.168 0.875 -0.692 215 H THR 32 H THR 32 11.956 -0.808 2.191 216 HA THR 32 HA THR 32 10.839 1.684 3.332 217 HB THR 32 HB THR 32 8.565 0.707 2.402 218 HG1 THR 32 1HG THR 32 9.170 -1.051 1.241 219 HG21 THR 32 3HG2 THR 32 10.448 2.087 0.455 220 HG22 THR 32 1HG2 THR 32 9.733 2.910 1.861 221 HG23 THR 32 2HG2 THR 32 8.676 2.259 0.620 222 H GLY 33 H GLY 33 11.360 -1.737 3.739 223 HA2 GLY 33 1HA GLY 33 11.073 -2.822 5.789 224 HA3 GLY 33 2HA GLY 33 9.938 -1.577 6.318 225 H LEU 34 H LEU 34 9.436 -2.894 3.137 226 HA LEU 34 HA LEU 34 6.919 -4.165 4.035 227 HB2 LEU 34 1HB LEU 34 7.812 -3.351 1.257 228 HB3 LEU 34 2HB LEU 34 6.281 -4.094 1.633 229 HG LEU 34 HG LEU 34 7.142 -1.406 2.794 230 HD11 LEU 34 1HD1 LEU 34 5.346 -1.934 0.406 231 HD12 LEU 34 2HD1 LEU 34 7.003 -1.305 0.339 232 HD13 LEU 34 3HD1 LEU 34 5.731 -0.355 1.118 233 HD21 LEU 34 3HD2 LEU 34 5.381 -2.498 4.139 234 HD22 LEU 34 1HD2 LEU 34 4.416 -2.778 2.673 235 HD23 LEU 34 2HD2 LEU 34 4.703 -1.128 3.265 236 H TYR 35 H TYR 35 6.456 -6.173 2.352 237 HA TYR 35 HA TYR 35 8.960 -7.614 1.778 238 HB2 TYR 35 1HB TYR 35 6.430 -8.805 2.980 239 HB3 TYR 35 2HB TYR 35 7.569 -9.757 2.060 240 HD1 TYR 35 1HD TYR 35 7.412 -7.521 5.067 241 HD2 TYR 35 2HD TYR 35 9.407 -10.795 3.109 242 HE1 TYR 35 1HE TYR 35 8.762 -7.900 7.094 243 HE2 TYR 35 2HE TYR 35 10.759 -11.193 5.111 244 HH TYR 35 HH TYR 35 11.406 -10.333 7.180 245 H TYR 36 H TYR 36 8.865 -8.666 -0.220 246 HA TYR 36 HA TYR 36 6.509 -8.198 -2.006 247 HB2 TYR 36 1HB TYR 36 8.365 -6.857 -2.664 248 HB3 TYR 36 2HB TYR 36 9.501 -8.169 -2.438 249 HD1 TYR 36 1HD TYR 36 6.913 -6.804 -4.724 250 HD2 TYR 36 2HD TYR 36 9.874 -9.864 -4.098 251 HE1 TYR 36 1HE TYR 36 6.837 -7.357 -7.140 252 HE2 TYR 36 2HE TYR 36 9.775 -10.467 -6.492 253 HH TYR 36 HH TYR 36 7.971 -8.565 -8.881 254 H ASP 37 H ASP 37 5.886 -9.908 -3.411 255 HA ASP 37 HA ASP 37 7.145 -12.575 -2.894 256 HB2 ASP 37 1HB ASP 37 4.833 -12.431 -2.091 257 HB3 ASP 37 2HB ASP 37 4.325 -11.903 -3.669 258 HA PRO 38 HA PRO 38 8.171 -12.131 -7.141 259 HB2 PRO 38 1HB PRO 38 9.115 -14.635 -7.786 260 HB3 PRO 38 2HB PRO 38 9.924 -13.565 -6.622 261 HG2 PRO 38 1HG PRO 38 7.860 -15.756 -6.030 262 HG3 PRO 38 2HG PRO 38 9.486 -15.573 -5.273 263 HD2 PRO 38 1HD PRO 38 7.277 -14.672 -4.082 264 HD3 PRO 38 2HD PRO 38 8.785 -13.723 -4.025 265 H ASN 39 H ASN 39 5.599 -14.465 -6.381 266 HA ASN 39 HA ASN 39 4.730 -14.735 -9.164 267 HB2 ASN 39 1HB ASN 39 3.653 -15.571 -6.442 268 HB3 ASN 39 2HB ASN 39 2.716 -15.629 -7.891 269 HD21 ASN 39 1HD2 ASN 39 4.850 -17.376 -5.965 270 HD22 ASN 39 2HD2 ASN 39 5.199 -18.687 -7.058 271 H SER 40 H SER 40 4.185 -13.038 -6.110 272 HA SER 40 HA SER 40 1.864 -11.611 -7.295 273 HB2 SER 40 1HB SER 40 2.339 -12.600 -4.466 274 HB3 SER 40 2HB SER 40 0.876 -11.815 -5.081 275 HG SER 40 HG SER 40 0.681 -13.540 -6.592 276 H GLN 41 H GLN 41 2.691 -9.723 -7.884 277 HA GLN 41 HA GLN 41 4.709 -8.213 -6.631 278 HB2 GLN 41 1HB GLN 41 2.528 -7.270 -8.516 279 HB3 GLN 41 2HB GLN 41 3.990 -6.371 -8.078 280 HG2 GLN 41 1HG GLN 41 4.441 -7.366 -10.150 281 HG3 GLN 41 2HG GLN 41 5.400 -8.213 -8.952 282 HE21 GLN 41 1HE2 GLN 41 5.378 -10.419 -9.126 283 HE22 GLN 41 2HE2 GLN 41 4.056 -11.355 -9.838 284 H TYR 42 H TYR 42 1.982 -8.811 -5.042 285 HA TYR 42 HA TYR 42 1.166 -6.132 -4.266 286 HB2 TYR 42 1HB TYR 42 0.140 -8.816 -3.308 287 HB3 TYR 42 2HB TYR 42 -0.595 -7.224 -3.052 288 HD1 TYR 42 2HD TYR 42 -0.617 -5.860 -5.566 289 HD2 TYR 42 1HD TYR 42 -1.046 -10.102 -4.892 290 HE1 TYR 42 2HE TYR 42 -1.710 -6.079 -7.744 291 HE2 TYR 42 1HE TYR 42 -2.197 -10.331 -7.065 292 HH TYR 42 HH TYR 42 -3.484 -8.802 -8.735 293 H TYR 43 H TYR 43 2.646 -5.233 -3.134 294 HA TYR 43 HA TYR 43 4.594 -6.414 -1.433 295 HB2 TYR 43 1HB TYR 43 3.488 -3.594 -1.806 296 HB3 TYR 43 2HB TYR 43 4.692 -3.954 -0.581 297 HD1 TYR 43 1HD TYR 43 4.117 -4.113 -4.309 298 HD2 TYR 43 2HD TYR 43 6.958 -4.186 -1.082 299 HE1 TYR 43 1HE TYR 43 5.954 -3.898 -5.941 300 HE2 TYR 43 2HE TYR 43 8.800 -3.998 -2.666 301 HH TYR 43 HH TYR 43 9.367 -3.624 -4.854 302 H TYR 44 H TYR 44 4.326 -7.140 0.609 303 HA TYR 44 HA TYR 44 1.746 -6.898 2.025 304 HB2 TYR 44 1HB TYR 44 2.821 -9.077 1.898 305 HB3 TYR 44 2HB TYR 44 4.316 -8.416 2.529 306 HD1 TYR 44 1HD TYR 44 0.682 -8.808 3.446 307 HD2 TYR 44 2HD TYR 44 4.775 -8.668 4.808 308 HE1 TYR 44 1HE TYR 44 -0.035 -9.608 5.679 309 HE2 TYR 44 2HE TYR 44 4.063 -9.398 7.046 310 HH TYR 44 HH TYR 44 2.361 -10.586 8.074 311 H ASN 45 H ASN 45 1.470 -5.706 3.763 312 HA ASN 45 HA ASN 45 3.676 -4.031 4.907 313 HB2 ASN 45 1HB ASN 45 2.142 -2.587 3.763 314 HB3 ASN 45 2HB ASN 45 0.744 -3.432 4.475 315 HD21 ASN 45 1HD2 ASN 45 -0.166 -2.169 6.066 316 HD22 ASN 45 2HD2 ASN 45 0.707 -1.272 7.273 317 H ALA 46 H ALA 46 4.140 -5.751 6.255 318 HA ALA 46 HA ALA 46 2.656 -7.327 7.932 319 HB1 ALA 46 1HB ALA 46 5.203 -5.926 8.807 320 HB2 ALA 46 2HB ALA 46 4.627 -7.531 9.249 321 HB3 ALA 46 3HB ALA 46 5.207 -7.243 7.597 322 H GLN 47 H GLN 47 3.623 -3.940 8.515 323 HA GLN 47 HA GLN 47 2.977 -3.378 11.036 324 HB2 GLN 47 1HB GLN 47 3.596 -1.994 8.747 325 HB3 GLN 47 2HB GLN 47 1.918 -1.485 8.953 326 HG2 GLN 47 1HG GLN 47 2.532 -0.849 11.320 327 HG3 GLN 47 2HG GLN 47 4.211 -1.246 10.898 328 HE21 GLN 47 1HE2 GLN 47 3.184 0.006 8.035 329 HE22 GLN 47 2HE2 GLN 47 3.313 1.726 8.329 330 H SER 48 H SER 48 0.637 -3.689 8.400 331 HA SER 48 HA SER 48 -1.642 -3.637 10.315 332 HB2 SER 48 1HB SER 48 -1.685 -2.456 7.539 333 HB3 SER 48 2HB SER 48 -2.872 -2.280 8.821 334 HG SER 48 HG SER 48 -1.342 -1.090 9.992 335 H GLN 49 H GLN 49 0.078 -5.705 8.817 336 HA GLN 49 HA GLN 49 0.055 -7.329 7.322 337 HB2 GLN 49 1HB GLN 49 -1.771 -9.089 7.909 338 HB3 GLN 49 2HB GLN 49 -0.401 -8.704 8.944 339 HG2 GLN 49 1HG GLN 49 -1.747 -7.222 10.307 340 HG3 GLN 49 2HG GLN 49 -3.065 -7.389 9.147 341 HE21 GLN 49 1HE2 GLN 49 -4.582 -8.348 10.646 342 HE22 GLN 49 2HE2 GLN 49 -4.248 -9.805 11.571 343 H GLN 50 H GLN 50 -0.845 -5.134 6.128 344 HA GLN 50 HA GLN 50 -3.194 -5.694 4.498 345 HB2 GLN 50 1HB GLN 50 -2.102 -3.453 5.747 346 HB3 GLN 50 2HB GLN 50 -1.572 -3.198 4.103 347 HG2 GLN 50 1HG GLN 50 -3.695 -2.066 4.824 348 HG3 GLN 50 2HG GLN 50 -3.805 -3.000 3.318 349 HE21 GLN 50 1HE2 GLN 50 -3.949 -4.401 6.733 350 HE22 GLN 50 2HE2 GLN 50 -5.451 -5.142 6.367 351 H TYR 51 H TYR 51 -3.140 -5.242 2.114 352 HA TYR 51 HA TYR 51 -0.558 -6.006 0.840 353 HB2 TYR 51 1HB TYR 51 -3.470 -6.567 0.171 354 HB3 TYR 51 2HB TYR 51 -2.283 -6.440 -1.109 355 HD1 TYR 51 1HD TYR 51 -1.856 -8.068 2.285 356 HD2 TYR 51 2HD TYR 51 -2.154 -8.605 -1.993 357 HE1 TYR 51 1HE TYR 51 -1.162 -10.417 2.531 358 HE2 TYR 51 2HE TYR 51 -1.466 -10.957 -1.745 359 HH TYR 51 HH TYR 51 -0.365 -12.498 -0.085 360 H LEU 52 H LEU 52 0.340 -4.660 -0.498 361 HA LEU 52 HA LEU 52 -1.048 -2.212 -1.385 362 HB2 LEU 52 1HB LEU 52 1.834 -2.447 -0.464 363 HB3 LEU 52 2HB LEU 52 1.026 -0.979 -0.966 364 HG LEU 52 HG LEU 52 0.406 -2.572 1.569 365 HD11 LEU 52 1HD1 LEU 52 1.447 -0.648 2.673 366 HD12 LEU 52 2HD1 LEU 52 1.790 0.093 1.094 367 HD13 LEU 52 3HD1 LEU 52 2.571 -1.447 1.558 368 HD21 LEU 52 3HD2 LEU 52 -1.628 -1.455 0.989 369 HD22 LEU 52 1HD2 LEU 52 -0.773 0.035 0.511 370 HD23 LEU 52 2HD2 LEU 52 -0.861 -0.479 2.218 371 H TYR 53 H TYR 53 0.538 -1.194 -3.161 372 HA TYR 53 HA TYR 53 2.148 -3.191 -4.554 373 HB2 TYR 53 1HB TYR 53 1.318 -2.616 -6.737 374 HB3 TYR 53 2HB TYR 53 0.061 -3.327 -5.775 375 HD1 TYR 53 2HD TYR 53 -1.547 -1.535 -4.527 376 HD2 TYR 53 1HD TYR 53 0.796 -0.715 -8.033 377 HE1 TYR 53 2HE TYR 53 -3.150 0.214 -5.151 378 HE2 TYR 53 1HE TYR 53 -0.791 1.059 -8.672 379 HH TYR 53 HH TYR 53 -2.671 2.298 -8.046 380 H TRP 54 H TRP 54 3.845 -2.152 -5.721 381 HA TRP 54 HA TRP 54 4.558 0.594 -4.914 382 HB2 TRP 54 1HB TRP 54 6.455 -0.915 -5.136 383 HB3 TRP 54 2HB TRP 54 5.857 -1.526 -6.677 384 HD1 TRP 54 HD TRP 54 7.164 -0.669 -8.634 385 HE1 TRP 54 1HE TRP 54 8.416 1.466 -9.321 386 HE3 TRP 54 3HE TRP 54 6.273 2.107 -4.450 387 HZ2 TRP 54 2HZ TRP 54 8.921 4.095 -8.178 388 HZ3 TRP 54 3HZ TRP 54 7.026 4.441 -4.314 389 HH2 TRP 54 HH TRP 54 8.387 5.450 -6.164 390 H ASP 55 H ASP 55 4.078 2.319 -6.304 391 HA ASP 55 HA ASP 55 2.996 1.608 -8.982 392 HB2 ASP 55 1HB ASP 55 1.175 2.077 -7.382 393 HB3 ASP 55 2HB ASP 55 1.822 3.701 -7.123 394 H GLY 56 H GLY 56 4.748 2.175 -10.142 395 HA2 GLY 56 1HA GLY 56 6.452 4.413 -9.502 396 HA3 GLY 56 2HA GLY 56 6.516 3.374 -10.930 397 H GLU 57 H GLU 57 3.322 4.331 -10.925 398 HA GLU 57 HA GLU 57 3.715 6.424 -12.895 399 HB2 GLU 57 1HB GLU 57 1.176 5.583 -11.421 400 HB3 GLU 57 2HB GLU 57 1.297 6.549 -12.897 401 HG2 GLU 57 1HG GLU 57 2.191 4.562 -14.095 402 HG3 GLU 57 2HG GLU 57 2.098 3.626 -12.592 403 H ARG 58 H ARG 58 2.174 6.182 -9.689 404 HA ARG 58 HA ARG 58 2.214 9.040 -9.170 405 HB2 ARG 58 1HB ARG 58 1.511 6.561 -7.533 406 HB3 ARG 58 2HB ARG 58 1.303 8.221 -6.955 407 HG2 ARG 58 1HG ARG 58 -0.203 8.705 -8.874 408 HG3 ARG 58 2HG ARG 58 -0.018 7.019 -9.434 409 HD2 ARG 58 1HD ARG 58 -1.104 6.144 -7.527 410 HD3 ARG 58 2HD ARG 58 -0.937 7.647 -6.604 411 HE ARG 58 HE ARG 58 -2.882 7.005 -8.715 412 HH11 ARG 58 1HH1 ARG 58 -1.696 9.596 -6.479 413 HH12 ARG 58 2HH1 ARG 58 -3.172 10.490 -6.628 414 HH21 ARG 58 1HH2 ARG 58 -4.661 8.378 -9.026 415 HH22 ARG 58 2HH2 ARG 58 -4.945 9.723 -7.982 416 H ARG 59 H ARG 59 4.362 6.411 -8.546 417 HA ARG 59 HA ARG 59 6.277 6.111 -7.470 418 HB2 ARG 59 1HB ARG 59 6.499 9.133 -7.538 419 HB3 ARG 59 2HB ARG 59 7.805 8.043 -7.098 420 HG2 ARG 59 1HG ARG 59 7.848 7.031 -9.279 421 HG3 ARG 59 2HG ARG 59 6.363 7.851 -9.786 422 HD2 ARG 59 1HD ARG 59 7.387 10.035 -9.705 423 HD3 ARG 59 2HD ARG 59 8.918 9.333 -9.132 424 HE ARG 59 HE ARG 59 8.505 7.940 -11.382 425 HH11 ARG 59 1HH1 ARG 59 8.422 11.517 -10.982 426 HH12 ARG 59 2HH1 ARG 59 9.404 11.770 -12.367 427 HH21 ARG 59 1HH2 ARG 59 9.529 8.363 -13.299 428 HH22 ARG 59 2HH2 ARG 59 10.127 9.952 -13.691 429 H THR 60 H THR 60 4.383 5.449 -6.001 430 HA THR 60 HA THR 60 5.202 6.087 -3.334 431 HB THR 60 HB THR 60 3.584 7.934 -3.850 432 HG1 THR 60 1HG THR 60 2.880 7.849 -1.879 433 HG21 THR 60 3HG2 THR 60 1.452 5.757 -3.773 434 HG22 THR 60 1HG2 THR 60 1.950 6.619 -5.236 435 HG23 THR 60 2HG2 THR 60 1.198 7.508 -3.896 436 H TYR 61 H TYR 61 3.388 4.732 -1.887 437 HA TYR 61 HA TYR 61 2.949 2.118 -3.264 438 HB2 TYR 61 1HB TYR 61 3.756 2.671 -0.400 439 HB3 TYR 61 2HB TYR 61 3.029 1.156 -0.916 440 HD1 TYR 61 1HD TYR 61 6.035 3.298 -1.123 441 HD2 TYR 61 2HD TYR 61 4.271 -0.478 -2.254 442 HE1 TYR 61 1HE TYR 61 8.291 2.349 -1.496 443 HE2 TYR 61 2HE TYR 61 6.529 -1.432 -2.598 444 HH TYR 61 HH TYR 61 9.258 -0.044 -1.208 445 H VAL 62 H VAL 62 0.910 1.433 -3.291 446 HA VAL 62 HA VAL 62 -1.184 2.946 -1.839 447 HB VAL 62 HB VAL 62 -2.361 2.401 -4.248 448 HG11 VAL 62 1HG1 VAL 62 -2.422 4.546 -3.131 449 HG12 VAL 62 2HG1 VAL 62 -0.706 4.852 -3.499 450 HG13 VAL 62 3HG1 VAL 62 -1.912 4.780 -4.807 451 HG21 VAL 62 3HG2 VAL 62 -0.885 3.038 -6.079 452 HG22 VAL 62 1HG2 VAL 62 0.480 3.296 -4.998 453 HG23 VAL 62 2HG2 VAL 62 -0.130 1.656 -5.262 454 HA PRO 63 HA PRO 63 -2.663 -1.037 -0.787 455 HB2 PRO 63 1HB PRO 63 -5.377 -0.709 -0.477 456 HB3 PRO 63 2HB PRO 63 -4.146 -0.104 0.681 457 HG2 PRO 63 1HG PRO 63 -5.625 1.417 -1.460 458 HG3 PRO 63 2HG PRO 63 -5.182 1.949 0.186 459 HD2 PRO 63 1HD PRO 63 -3.769 2.657 -2.071 460 HD3 PRO 63 2HD PRO 63 -3.016 2.488 -0.454 461 H ALA 64 H ALA 64 -2.951 -2.891 -1.998 462 HA ALA 64 HA ALA 64 -3.741 -2.386 -4.750 463 HB1 ALA 64 1HB ALA 64 -2.660 -4.981 -3.547 464 HB2 ALA 64 2HB ALA 64 -2.702 -4.539 -5.270 465 HB3 ALA 64 3HB ALA 64 -1.637 -3.673 -4.174 466 H LEU 65 H LEU 65 -5.805 -2.742 -2.667 467 HA LEU 65 HA LEU 65 -7.050 -5.344 -3.282 468 HB2 LEU 65 1HB LEU 65 -7.952 -3.115 -1.408 469 HB3 LEU 65 2HB LEU 65 -8.791 -4.644 -1.686 470 HG LEU 65 HG LEU 65 -6.719 -5.854 -0.887 471 HD11 LEU 65 1HD1 LEU 65 -4.982 -4.163 -0.965 472 HD12 LEU 65 2HD1 LEU 65 -5.268 -4.548 0.719 473 HD13 LEU 65 3HD1 LEU 65 -5.944 -3.052 0.049 474 HD21 LEU 65 3HD2 LEU 65 -8.175 -3.991 1.033 475 HD22 LEU 65 1HD2 LEU 65 -7.296 -5.469 1.501 476 HD23 LEU 65 2HD2 LEU 65 -8.728 -5.584 0.470 477 H GLU 66 H GLU 66 -8.967 -2.320 -3.001 478 HA GLU 66 HA GLU 66 -10.598 -2.988 -5.258 479 HB2 GLU 66 1HB GLU 66 -10.171 -0.531 -3.543 480 HB3 GLU 66 2HB GLU 66 -11.140 -0.393 -5.011 481 HG2 GLU 66 1HG GLU 66 -12.769 -1.950 -4.272 482 HG3 GLU 66 2HG GLU 66 -11.754 -2.519 -2.964 483 H GLN 67 H GLN 67 -7.850 -0.693 -4.871 484 HA GLN 67 HA GLN 67 -6.859 0.733 -6.309 485 HB2 GLN 67 1HB GLN 67 -7.057 -1.662 -8.184 486 HB3 GLN 67 2HB GLN 67 -6.118 -0.190 -8.510 487 HG2 GLN 67 1HG GLN 67 -4.906 -0.559 -6.363 488 HG3 GLN 67 2HG GLN 67 -5.778 -2.078 -6.155 489 HE21 GLN 67 1HE2 GLN 67 -4.591 -3.885 -6.766 490 HE22 GLN 67 2HE2 GLN 67 -3.237 -3.755 -7.903 491 H SER 68 H SER 68 -9.575 1.073 -5.879 492 HA SER 68 HA SER 68 -10.301 2.936 -7.910 493 HB2 SER 68 1HB SER 68 -10.930 0.512 -8.825 494 HB3 SER 68 2HB SER 68 -12.243 0.683 -7.657 495 HG SER 68 HG SER 68 -12.305 1.492 -10.048 496 H ALA 69 H ALA 69 -9.809 3.337 -5.455 497 HA ALA 69 HA ALA 69 -12.337 3.550 -3.870 498 HB1 ALA 69 1HB ALA 69 -9.654 2.591 -2.775 499 HB2 ALA 69 2HB ALA 69 -11.113 2.895 -1.815 500 HB3 ALA 69 3HB ALA 69 -11.103 1.594 -3.013 501 H ASP 70 H ASP 70 -12.495 5.368 -2.575 502 HA ASP 70 HA ASP 70 -10.854 7.642 -3.196 503 HB2 ASP 70 1HB ASP 70 -13.210 7.834 -2.427 504 HB3 ASP 70 2HB ASP 70 -12.715 7.299 -0.811 505 H GLY 71 H GLY 71 -10.959 5.425 -0.397 506 HA2 GLY 71 1HA GLY 71 -8.427 6.563 0.660 507 HA3 GLY 71 2HA GLY 71 -9.813 6.174 1.700 508 H HIS 72 H HIS 72 -8.075 4.809 2.698 509 HA HIS 72 HA HIS 72 -6.843 2.657 1.442 510 HB2 HIS 72 1HB HIS 72 -6.820 3.778 3.972 511 HB3 HIS 72 2HB HIS 72 -7.544 2.213 4.304 512 HD1 HIS 72 1HD HIS 72 -5.846 0.124 4.247 513 HD2 HIS 72 2HD HIS 72 -4.319 3.833 2.931 514 HE1 HIS 72 1HE HIS 72 -3.360 -0.200 3.870 515 H LYS 73 H LYS 73 -9.735 2.467 3.488 516 HA LYS 73 HA LYS 73 -11.260 0.840 3.928 517 HB2 LYS 73 1HB LYS 73 -11.121 0.494 0.909 518 HB3 LYS 73 2HB LYS 73 -12.357 -0.234 1.942 519 HG2 LYS 73 1HG LYS 73 -13.010 2.033 2.751 520 HG3 LYS 73 2HG LYS 73 -11.848 2.746 1.609 521 HD2 LYS 73 1HD LYS 73 -13.038 1.684 -0.279 522 HD3 LYS 73 2HD LYS 73 -14.198 0.953 0.854 523 HE2 LYS 73 1HE LYS 73 -14.860 3.214 1.634 524 HE3 LYS 73 2HE LYS 73 -13.682 3.943 0.528 525 HZ1 LYS 73 3HZ LYS 73 -16.060 2.376 -0.249 526 HZ2 LYS 73 1HZ LYS 73 -14.934 2.867 -1.309 527 HZ3 LYS 73 2HZ LYS 73 -15.819 3.996 -0.483 528 H GLU 74 H GLU 74 -11.774 -1.743 3.042 529 HA GLU 74 HA GLU 74 -9.248 -3.232 3.101 530 HB2 GLU 74 1HB GLU 74 -11.493 -3.579 5.144 531 HB3 GLU 74 2HB GLU 74 -10.301 -4.837 4.787 532 HG2 GLU 74 1HG GLU 74 -8.465 -3.283 5.396 533 HG3 GLU 74 2HG GLU 74 -9.662 -2.070 5.877 534 H THR 75 H THR 75 -10.097 -5.742 2.864 535 HA THR 75 HA THR 75 -11.134 -5.899 0.327 536 HB THR 75 HB THR 75 -11.559 -8.138 2.250 537 HG1 THR 75 1HG THR 75 -9.313 -8.609 2.053 538 HG21 THR 75 3HG2 THR 75 -10.628 -9.419 0.362 539 HG22 THR 75 1HG2 THR 75 -10.115 -7.904 -0.435 540 HG23 THR 75 2HG2 THR 75 -11.837 -8.274 -0.236 541 H GLY 76 H GLY 76 -12.831 -6.061 3.422 542 HA2 GLY 76 1HA GLY 76 -15.416 -5.531 2.136 543 HA3 GLY 76 2HA GLY 76 -15.248 -7.071 3.012 544 H ALA 77 H ALA 77 -14.387 -6.916 5.227 545 HA ALA 77 HA ALA 77 -14.648 -6.375 7.384 546 HB1 ALA 77 1HB ALA 77 -14.177 -4.082 8.121 547 HB2 ALA 77 2HB ALA 77 -13.079 -4.564 6.821 548 HB3 ALA 77 3HB ALA 77 -14.445 -3.491 6.479 549 HA PRO 78 HA PRO 78 -18.995 -5.497 8.018 550 HB2 PRO 78 1HB PRO 78 -19.192 -4.593 10.607 551 HB3 PRO 78 2HB PRO 78 -18.874 -6.294 10.177 552 HG2 PRO 78 1HG PRO 78 -16.884 -4.198 11.030 553 HG3 PRO 78 2HG PRO 78 -16.987 -5.913 11.525 554 HD2 PRO 78 1HD PRO 78 -15.260 -5.015 9.617 555 HD3 PRO 78 2HD PRO 78 -15.971 -6.647 9.564 556 H SER 79 H SER 79 -19.887 -3.775 6.925 557 HA SER 79 HA SER 79 -20.217 -1.691 6.118 558 HB2 SER 79 1HB SER 79 -20.259 -1.230 9.116 559 HB3 SER 79 2HB SER 79 -20.825 -0.034 7.958 560 HG SER 79 HG SER 79 -22.558 -1.129 7.579 561 H LYS 80 H LYS 80 -17.984 -1.736 5.228 562 HA LYS 80 HA LYS 80 -16.661 0.795 6.102 563 HB2 LYS 80 1HB LYS 80 -15.567 -1.433 7.028 564 HB3 LYS 80 2HB LYS 80 -14.954 -1.575 5.399 565 HG2 LYS 80 1HG LYS 80 -13.257 -0.525 6.650 566 HG3 LYS 80 2HG LYS 80 -13.945 0.786 5.690 567 HD2 LYS 80 1HD LYS 80 -15.070 1.724 7.587 568 HD3 LYS 80 2HD LYS 80 -14.998 0.193 8.476 569 HE2 LYS 80 1HE LYS 80 -12.452 0.439 8.450 570 HE3 LYS 80 2HE LYS 80 -12.707 2.122 7.953 571 HZ1 LYS 80 3HZ LYS 80 -13.957 2.469 9.947 572 HZ2 LYS 80 1HZ LYS 80 -12.508 1.803 10.382 573 HZ3 LYS 80 2HZ LYS 80 -13.836 0.857 10.374 574 H GLU 81 H GLU 81 -17.748 -1.256 3.574 575 HA GLU 81 HA GLU 81 -16.043 -0.453 1.475 576 HB2 GLU 81 1HB GLU 81 -17.840 -1.306 0.018 577 HB3 GLU 81 2HB GLU 81 -17.428 -2.420 1.310 578 HG2 GLU 81 1HG GLU 81 -19.700 -0.526 1.876 579 HG3 GLU 81 2HG GLU 81 -19.967 -1.737 0.628 580 H GLY 82 H GLY 82 -17.967 1.669 3.166 581 HA2 GLY 82 1HA GLY 82 -18.361 3.923 2.675 582 HA3 GLY 82 2HA GLY 82 -18.152 3.613 0.957 583 H LYS 83 H LYS 83 -20.214 1.228 1.403 584 HA LYS 83 HA LYS 83 -22.747 2.721 1.445 585 HB2 LYS 83 1HB LYS 83 -21.844 -0.133 0.951 586 HB3 LYS 83 2HB LYS 83 -23.485 0.124 1.488 587 HG2 LYS 83 1HG LYS 83 -22.339 1.557 -0.950 588 HG3 LYS 83 2HG LYS 83 -23.125 -0.024 -1.011 589 HD2 LYS 83 1HD LYS 83 -25.117 1.096 0.217 590 HD3 LYS 83 2HD LYS 83 -24.327 2.629 -0.134 591 HE2 LYS 83 1HE LYS 83 -26.070 2.177 -1.752 592 HE3 LYS 83 2HE LYS 83 -24.494 2.196 -2.549 593 HZ1 LYS 83 3HZ LYS 83 -25.746 -0.335 -1.688 594 HZ2 LYS 83 1HZ LYS 83 -24.562 -0.104 -2.810 595 HZ3 LYS 83 2HZ LYS 83 -26.085 0.377 -3.150 596 H GLU 84 H GLU 84 -20.533 2.198 3.662 597 HA GLU 84 HA GLU 84 -21.051 0.317 5.430 598 HB2 GLU 84 1HB GLU 84 -20.080 1.928 7.179 599 HB3 GLU 84 2HB GLU 84 -19.112 1.581 5.741 600 HG2 GLU 84 1HG GLU 84 -19.305 3.663 4.846 601 HG3 GLU 84 2HG GLU 84 -20.799 4.064 5.658 602 H LYS 85 H LYS 85 -22.381 3.574 5.840 603 HA LYS 85 HA LYS 85 -24.615 2.573 7.519 604 HB2 LYS 85 1HB LYS 85 -24.417 4.680 8.759 605 HB3 LYS 85 2HB LYS 85 -22.942 3.738 8.883 606 HG2 LYS 85 1HG LYS 85 -21.668 5.287 7.765 607 HG3 LYS 85 2HG LYS 85 -22.934 5.677 6.614 608 HD2 LYS 85 1HD LYS 85 -24.119 6.964 8.458 609 HD3 LYS 85 2HD LYS 85 -22.633 6.766 9.426 610 HE2 LYS 85 1HE LYS 85 -21.334 7.808 7.550 611 HE3 LYS 85 2HE LYS 85 -22.843 7.974 6.625 612 HZ1 LYS 85 3HZ LYS 85 -22.219 9.355 9.161 613 HZ2 LYS 85 1HZ LYS 85 -23.648 9.460 8.338 614 HZ3 LYS 85 2HZ LYS 85 -22.285 10.014 7.642 615 H LYS 86 H LYS 86 -24.501 2.868 4.583 616 HA LYS 86 HA LYS 86 -25.463 3.850 2.836 617 HB2 LYS 86 1HB LYS 86 -27.734 4.414 2.916 618 HB3 LYS 86 2HB LYS 86 -27.489 3.079 4.016 619 HG2 LYS 86 1HG LYS 86 -27.919 4.373 5.926 620 HG3 LYS 86 2HG LYS 86 -27.585 5.903 5.094 621 HD2 LYS 86 1HD LYS 86 -29.615 5.615 3.732 622 HD3 LYS 86 2HD LYS 86 -29.989 4.097 4.582 623 HE2 LYS 86 1HE LYS 86 -30.512 5.177 6.588 624 HE3 LYS 86 2HE LYS 86 -29.417 6.525 6.258 625 HZ1 LYS 86 3HZ LYS 86 -30.901 7.372 4.650 626 HZ2 LYS 86 1HZ LYS 86 -31.689 7.224 6.088 627 HZ3 LYS 86 2HZ LYS 86 -31.977 6.139 4.869 628 H GLU 87 H GLU 87 -26.973 6.203 2.508 629 HA GLU 87 HA GLU 87 -26.554 8.264 1.741 630 HB2 GLU 87 1HB GLU 87 -26.912 8.200 4.614 631 HB3 GLU 87 2HB GLU 87 -25.939 9.596 4.192 632 HG2 GLU 87 1HG GLU 87 -28.262 10.224 4.168 633 HG3 GLU 87 2HG GLU 87 -27.621 10.311 2.527 634 H LYS 88 H LYS 88 -24.716 7.424 0.522 635 HA LYS 88 HA LYS 88 -22.090 8.463 1.246 636 HB2 LYS 88 1HB LYS 88 -23.255 7.612 -1.445 637 HB3 LYS 88 2HB LYS 88 -21.604 8.210 -1.198 638 HG2 LYS 88 1HG LYS 88 -21.322 6.394 0.570 639 HG3 LYS 88 2HG LYS 88 -22.843 5.704 -0.003 640 HD2 LYS 88 1HD LYS 88 -21.574 4.511 -1.447 641 HD3 LYS 88 2HD LYS 88 -21.430 6.009 -2.375 642 HE2 LYS 88 1HE LYS 88 -19.374 6.540 -0.904 643 HE3 LYS 88 2HE LYS 88 -19.507 4.891 -0.286 644 HZ1 LYS 88 3HZ LYS 88 -18.986 5.730 -3.058 645 HZ2 LYS 88 1HZ LYS 88 -19.294 4.158 -2.660 646 HZ3 LYS 88 2HZ LYS 88 -17.947 4.934 -2.105 647 H HIS 89 H HIS 89 -21.305 10.446 0.894 648 HA HIS 89 HA HIS 89 -22.591 12.390 -0.778 649 HB2 HIS 89 1HB HIS 89 -22.843 14.101 0.959 650 HB3 HIS 89 2HB HIS 89 -23.942 12.763 1.181 651 HD1 HIS 89 1HD HIS 89 -24.104 13.953 3.718 652 HD2 HIS 89 2HD HIS 89 -20.577 11.881 2.641 653 HE1 HIS 89 1HE HIS 89 -22.848 13.500 5.875 654 H LYS 90 H LYS 90 -21.071 14.620 -0.258 655 HA LYS 90 HA LYS 90 -18.506 13.529 -1.025 656 HB2 LYS 90 1HB LYS 90 -19.881 15.838 -1.720 657 HB3 LYS 90 2HB LYS 90 -18.617 16.466 -0.649 658 HG2 LYS 90 1HG LYS 90 -16.968 15.035 -1.994 659 HG3 LYS 90 2HG LYS 90 -18.296 14.701 -3.118 660 HD2 LYS 90 1HD LYS 90 -18.506 17.198 -3.494 661 HD3 LYS 90 2HD LYS 90 -17.066 17.411 -2.493 662 HE2 LYS 90 1HE LYS 90 -17.271 15.961 -5.153 663 HE3 LYS 90 2HE LYS 90 -16.390 17.457 -4.796 664 HZ1 LYS 90 3HZ LYS 90 -15.726 14.744 -3.819 665 HZ2 LYS 90 1HZ LYS 90 -14.961 16.129 -3.314 666 HZ3 LYS 90 2HZ LYS 90 -14.864 15.636 -4.881 667 H THR 91 H THR 91 -16.675 15.471 0.044 668 HA THR 91 HA THR 91 -16.818 15.435 2.887 669 HB THR 91 HB THR 91 -16.173 13.099 2.491 670 HG1 THR 91 1HG THR 91 -14.521 13.019 3.802 671 HG21 THR 91 3HG2 THR 91 -15.048 13.258 0.300 672 HG22 THR 91 1HG2 THR 91 -14.052 12.434 1.496 673 HG23 THR 91 2HG2 THR 91 -13.687 14.116 1.057 674 H LYS 92 H LYS 92 -15.341 16.905 3.668 675 HA LYS 92 HA LYS 92 -14.181 18.864 3.698 676 HB2 LYS 92 1HB LYS 92 -12.395 17.026 3.030 677 HB3 LYS 92 2HB LYS 92 -12.412 17.834 1.466 678 HG2 LYS 92 1HG LYS 92 -11.679 19.949 2.536 679 HG3 LYS 92 2HG LYS 92 -11.888 19.223 4.134 680 HD2 LYS 92 1HD LYS 92 -9.532 19.201 3.676 681 HD3 LYS 92 2HD LYS 92 -10.117 17.535 3.563 682 HE2 LYS 92 1HE LYS 92 -10.341 17.961 1.038 683 HE3 LYS 92 2HE LYS 92 -9.430 19.458 1.287 684 HZ1 LYS 92 3HZ LYS 92 -8.484 16.761 2.048 685 HZ2 LYS 92 1HZ LYS 92 -7.536 18.132 1.964 686 HZ3 LYS 92 2HZ LYS 92 -8.184 17.432 0.617 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -6.968 29.033 4.298 2 HA2 GLY 1 1HA GLY 1 -7.754 26.776 4.879 3 HA3 GLY 1 2HA GLY 1 -9.036 27.002 3.665 4 H HIS 2 H HIS 2 -8.191 25.148 2.569 5 HA HIS 2 HA HIS 2 -7.280 24.222 0.703 6 HB2 HIS 2 1HB HIS 2 -5.296 26.490 0.423 7 HB3 HIS 2 2HB HIS 2 -5.762 25.332 -0.780 8 HD1 HIS 2 1HD HIS 2 -8.665 25.625 -1.414 9 HD2 HIS 2 2HD HIS 2 -6.360 28.789 0.182 10 HE1 HIS 2 1HE HIS 2 -9.945 27.788 -1.899 11 H MET 3 H MET 3 -5.529 22.696 0.424 12 HA MET 3 HA MET 3 -3.324 22.796 2.361 13 HB2 MET 3 1HB MET 3 -5.528 20.705 2.382 14 HB3 MET 3 2HB MET 3 -3.994 20.574 3.250 15 HG2 MET 3 1HG MET 3 -4.556 22.707 4.471 16 HG3 MET 3 2HG MET 3 -6.178 22.591 3.769 17 HE1 MET 3 3HE MET 3 -4.231 19.567 6.627 18 HE2 MET 3 1HE MET 3 -3.412 20.527 5.388 19 HE3 MET 3 2HE MET 3 -3.943 21.299 6.889 20 H GLN 4 H GLN 4 -3.094 19.828 1.921 21 HA GLN 4 HA GLN 4 -2.080 19.603 -0.812 22 HB2 GLN 4 1HB GLN 4 0.095 18.786 0.105 23 HB3 GLN 4 2HB GLN 4 -0.160 20.504 0.420 24 HG2 GLN 4 1HG GLN 4 -0.778 20.089 2.730 25 HG3 GLN 4 2HG GLN 4 -0.816 18.346 2.484 26 HE21 GLN 4 1HE2 GLN 4 0.605 19.539 4.510 27 HE22 GLN 4 2HE2 GLN 4 2.304 19.227 4.303 28 H GLU 5 H GLU 5 -1.135 17.111 -0.805 29 HA GLU 5 HA GLU 5 -3.288 15.404 0.186 30 HB2 GLU 5 1HB GLU 5 -1.800 15.215 -1.988 31 HB3 GLU 5 2HB GLU 5 -0.620 14.478 -0.917 32 HG2 GLU 5 1HG GLU 5 -1.770 12.632 -1.758 33 HG3 GLU 5 2HG GLU 5 -2.614 12.869 -0.231 34 H SER 6 H SER 6 -0.196 16.478 1.393 35 HA SER 6 HA SER 6 1.257 15.834 2.945 36 HB2 SER 6 1HB SER 6 -1.303 15.067 4.266 37 HB3 SER 6 2HB SER 6 0.185 14.392 4.939 38 HG SER 6 HG SER 6 0.904 16.254 5.482 39 H TYR 7 H TYR 7 0.342 14.033 0.627 40 HA TYR 7 HA TYR 7 1.355 12.568 -0.546 41 HB2 TYR 7 1HB TYR 7 3.432 13.288 0.375 42 HB3 TYR 7 2HB TYR 7 3.262 12.221 1.774 43 HD1 TYR 7 2HD TYR 7 2.943 11.882 -1.938 44 HD2 TYR 7 1HD TYR 7 4.461 10.271 1.721 45 HE1 TYR 7 2HE TYR 7 4.237 10.158 -3.244 46 HE2 TYR 7 1HE TYR 7 5.737 8.536 0.477 47 HH TYR 7 HH TYR 7 4.891 7.624 -2.166 48 H SER 8 H SER 8 0.311 10.869 -1.115 49 HA SER 8 HA SER 8 -0.238 8.743 0.850 50 HB2 SER 8 1HB SER 8 -2.299 10.436 -0.653 51 HB3 SER 8 2HB SER 8 -2.709 8.992 0.315 52 HG SER 8 HG SER 8 -2.992 10.885 1.541 53 H GLN 9 H GLN 9 1.428 8.720 -1.600 54 HA GLN 9 HA GLN 9 0.315 6.353 -2.752 55 HB2 GLN 9 1HB GLN 9 1.051 8.737 -4.517 56 HB3 GLN 9 2HB GLN 9 0.872 7.071 -5.093 57 HG2 GLN 9 1HG GLN 9 -1.459 7.029 -4.262 58 HG3 GLN 9 2HG GLN 9 -1.341 8.760 -3.876 59 HE21 GLN 9 1HE2 GLN 9 -2.285 6.581 -6.223 60 HE22 GLN 9 2HE2 GLN 9 -2.365 7.665 -7.598 61 H TYR 10 H TYR 10 2.197 5.606 -4.450 62 HA TYR 10 HA TYR 10 4.843 5.910 -3.122 63 HB2 TYR 10 1HB TYR 10 3.194 3.463 -3.736 64 HB3 TYR 10 2HB TYR 10 4.938 3.350 -3.702 65 HD1 TYR 10 2HD TYR 10 1.973 4.347 -1.630 66 HD2 TYR 10 1HD TYR 10 6.160 3.304 -1.640 67 HE1 TYR 10 2HE TYR 10 1.954 4.302 0.831 68 HE2 TYR 10 1HE TYR 10 6.137 3.233 0.837 69 HH TYR 10 HH TYR 10 3.451 4.430 2.710 70 HA PRO 11 HA PRO 11 6.324 5.847 -7.459 71 HB2 PRO 11 1HB PRO 11 8.678 4.464 -7.313 72 HB3 PRO 11 2HB PRO 11 8.479 6.100 -6.626 73 HG2 PRO 11 1HG PRO 11 8.240 3.446 -5.165 74 HG3 PRO 11 2HG PRO 11 9.257 4.858 -4.725 75 HD2 PRO 11 1HD PRO 11 6.811 4.482 -3.622 76 HD3 PRO 11 2HD PRO 11 7.366 6.120 -4.059 77 H VAL 12 H VAL 12 7.366 3.781 -8.910 78 HA VAL 12 HA VAL 12 5.508 1.501 -8.512 79 HB VAL 12 HB VAL 12 6.710 2.487 -11.111 80 HG11 VAL 12 1HG1 VAL 12 5.275 0.725 -12.125 81 HG12 VAL 12 2HG1 VAL 12 6.502 0.013 -11.075 82 HG13 VAL 12 3HG1 VAL 12 4.826 0.147 -10.504 83 HG21 VAL 12 3HG2 VAL 12 4.278 2.879 -11.644 84 HG22 VAL 12 1HG2 VAL 12 3.888 2.505 -9.940 85 HG23 VAL 12 2HG2 VAL 12 4.900 3.908 -10.348 86 HA PRO 13 HA PRO 13 9.728 0.244 -7.288 87 HB2 PRO 13 1HB PRO 13 9.082 -1.798 -5.596 88 HB3 PRO 13 2HB PRO 13 8.850 -0.094 -5.099 89 HG2 PRO 13 1HG PRO 13 6.762 -1.966 -6.253 90 HG3 PRO 13 2HG PRO 13 6.641 -0.946 -4.785 91 HD2 PRO 13 1HD PRO 13 5.691 -0.150 -7.200 92 HD3 PRO 13 2HD PRO 13 6.410 1.020 -6.043 93 H ASP 14 H ASP 14 10.987 -1.639 -7.870 94 HA ASP 14 HA ASP 14 9.604 -3.729 -9.455 95 HB2 ASP 14 1HB ASP 14 10.710 -1.842 -10.860 96 HB3 ASP 14 2HB ASP 14 12.252 -2.542 -10.324 97 H VAL 15 H VAL 15 10.213 -5.714 -8.864 98 HA VAL 15 HA VAL 15 11.989 -6.175 -6.704 99 HB VAL 15 HB VAL 15 10.058 -7.569 -7.172 100 HG11 VAL 15 1HG1 VAL 15 10.135 -7.525 -9.688 101 HG12 VAL 15 2HG1 VAL 15 11.497 -8.646 -9.622 102 HG13 VAL 15 3HG1 VAL 15 9.909 -9.134 -8.995 103 HG21 VAL 15 3HG2 VAL 15 11.022 -9.806 -6.969 104 HG22 VAL 15 1HG2 VAL 15 12.615 -9.193 -7.384 105 HG23 VAL 15 2HG2 VAL 15 11.807 -8.641 -5.895 106 H SER 16 H SER 16 12.621 -5.970 -10.219 107 HA SER 16 HA SER 16 14.984 -7.591 -10.133 108 HB2 SER 16 1HB SER 16 14.116 -5.483 -12.140 109 HB3 SER 16 2HB SER 16 15.370 -6.708 -12.369 110 HG SER 16 HG SER 16 13.473 -8.210 -11.702 111 H THR 17 H THR 17 14.534 -4.684 -8.534 112 HA THR 17 HA THR 17 17.481 -4.361 -8.484 113 HB THR 17 HB THR 17 16.436 -2.576 -9.817 114 HG1 THR 17 1HG THR 17 18.339 -2.171 -8.854 115 HG21 THR 17 3HG2 THR 17 15.183 -1.691 -7.197 116 HG22 THR 17 1HG2 THR 17 14.307 -2.239 -8.648 117 HG23 THR 17 2HG2 THR 17 15.233 -0.738 -8.690 118 H TYR 18 H TYR 18 15.143 -5.747 -6.736 119 HA TYR 18 HA TYR 18 15.635 -4.576 -4.124 120 HB2 TYR 18 1HB TYR 18 14.519 -7.249 -5.054 121 HB3 TYR 18 2HB TYR 18 14.707 -6.823 -3.374 122 HD1 TYR 18 2HD TYR 18 13.802 -3.711 -4.658 123 HD2 TYR 18 1HD TYR 18 12.157 -7.642 -3.937 124 HE1 TYR 18 2HE TYR 18 11.576 -2.754 -4.536 125 HE2 TYR 18 1HE TYR 18 9.883 -6.684 -3.954 126 HH TYR 18 HH TYR 18 9.413 -3.132 -3.843 127 H GLN 19 H GLN 19 16.631 -5.756 -2.393 128 HA GLN 19 HA GLN 19 19.248 -7.035 -3.077 129 HB2 GLN 19 1HB GLN 19 18.025 -6.180 -0.410 130 HB3 GLN 19 2HB GLN 19 19.618 -6.899 -0.639 131 HG2 GLN 19 1HG GLN 19 20.211 -4.937 -2.123 132 HG3 GLN 19 2HG GLN 19 18.668 -4.195 -1.677 133 HE21 GLN 19 1HE2 GLN 19 18.573 -3.015 0.259 134 HE22 GLN 19 2HE2 GLN 19 19.819 -3.018 1.475 135 H TYR 20 H TYR 20 19.434 -9.283 -2.907 136 HA TYR 20 HA TYR 20 17.188 -10.863 -1.863 137 HB2 TYR 20 1HB TYR 20 18.665 -11.588 -3.743 138 HB3 TYR 20 2HB TYR 20 20.045 -11.539 -2.664 139 HD1 TYR 20 1HD TYR 20 16.537 -12.992 -2.673 140 HD2 TYR 20 2HD TYR 20 20.712 -13.686 -1.776 141 HE1 TYR 20 1HE TYR 20 16.061 -15.376 -2.320 142 HE2 TYR 20 2HE TYR 20 20.242 -16.042 -1.362 143 HH TYR 20 HH TYR 20 18.642 -17.763 -1.551 144 H ASP 21 H ASP 21 17.561 -12.238 0.062 145 HA ASP 21 HA ASP 21 20.091 -11.808 1.464 146 HB2 ASP 21 1HB ASP 21 17.857 -10.556 2.543 147 HB3 ASP 21 2HB ASP 21 17.840 -12.048 3.402 148 H GLU 22 H GLU 22 20.868 -13.820 1.233 149 HA GLU 22 HA GLU 22 19.348 -16.209 1.073 150 HB2 GLU 22 1HB GLU 22 21.511 -17.277 1.851 151 HB3 GLU 22 2HB GLU 22 21.542 -16.411 0.319 152 HG2 GLU 22 1HG GLU 22 22.741 -14.638 1.163 153 HG3 GLU 22 2HG GLU 22 22.373 -15.010 2.864 154 H THR 23 H THR 23 20.225 -14.315 3.846 155 HA THR 23 HA THR 23 20.285 -16.224 5.884 156 HB THR 23 HB THR 23 20.716 -13.694 5.940 157 HG1 THR 23 1HG THR 23 19.349 -14.737 8.181 158 HG21 THR 23 3HG2 THR 23 17.850 -13.543 6.937 159 HG22 THR 23 1HG2 THR 23 18.365 -13.009 5.331 160 HG23 THR 23 2HG2 THR 23 19.014 -12.225 6.766 161 H SER 24 H SER 24 17.493 -14.835 4.267 162 HA SER 24 HA SER 24 15.689 -16.804 5.602 163 HB2 SER 24 1HB SER 24 14.930 -14.188 4.263 164 HB3 SER 24 2HB SER 24 13.859 -15.283 5.162 165 HG SER 24 HG SER 24 15.364 -14.899 6.974 166 H GLY 25 H GLY 25 16.896 -15.445 2.546 167 HA2 GLY 25 1HA GLY 25 17.000 -16.597 0.533 168 HA3 GLY 25 2HA GLY 25 15.745 -17.736 1.052 169 H TYR 26 H TYR 26 15.586 -14.195 1.476 170 HA TYR 26 HA TYR 26 13.110 -14.099 -0.183 171 HB2 TYR 26 1HB TYR 26 13.621 -13.223 2.674 172 HB3 TYR 26 2HB TYR 26 12.496 -12.329 1.684 173 HD1 TYR 26 2HD TYR 26 13.165 -16.041 2.257 174 HD2 TYR 26 1HD TYR 26 10.263 -12.850 2.084 175 HE1 TYR 26 2HE TYR 26 11.374 -17.691 2.459 176 HE2 TYR 26 1HE TYR 26 8.459 -14.522 2.359 177 HH TYR 26 HH TYR 26 8.289 -17.034 1.541 178 H TYR 27 H TYR 27 12.611 -11.548 -0.466 179 HA TYR 27 HA TYR 27 15.209 -10.228 -1.105 180 HB2 TYR 27 1HB TYR 27 12.529 -9.916 -2.474 181 HB3 TYR 27 2HB TYR 27 13.947 -8.926 -2.780 182 HD1 TYR 27 1HD TYR 27 16.021 -9.903 -3.767 183 HD2 TYR 27 2HD TYR 27 12.356 -12.128 -3.476 184 HE1 TYR 27 1HE TYR 27 16.952 -11.551 -5.317 185 HE2 TYR 27 2HE TYR 27 13.225 -13.768 -5.143 186 HH TYR 27 HH TYR 27 16.468 -14.093 -5.968 187 H TYR 28 H TYR 28 15.320 -8.028 -0.631 188 HA TYR 28 HA TYR 28 13.421 -6.943 1.375 189 HB2 TYR 28 1HB TYR 28 15.512 -7.547 2.423 190 HB3 TYR 28 2HB TYR 28 16.436 -6.839 1.117 191 HD1 TYR 28 2HD TYR 28 13.784 -5.770 3.581 192 HD2 TYR 28 1HD TYR 28 17.437 -4.810 1.534 193 HE1 TYR 28 2HE TYR 28 13.895 -3.615 4.809 194 HE2 TYR 28 1HE TYR 28 17.535 -2.627 2.682 195 HH TYR 28 HH TYR 28 15.169 -1.614 5.170 196 H ASP 29 H ASP 29 12.758 -4.926 1.016 197 HA ASP 29 HA ASP 29 13.356 -3.667 -1.609 198 HB2 ASP 29 1HB ASP 29 11.089 -4.356 -1.356 199 HB3 ASP 29 2HB ASP 29 10.902 -3.491 0.159 200 HA PRO 30 HA PRO 30 15.152 -0.707 1.479 201 HB2 PRO 30 1HB PRO 30 16.878 0.516 -0.321 202 HB3 PRO 30 2HB PRO 30 17.283 -0.880 0.738 203 HG2 PRO 30 1HG PRO 30 16.510 -0.869 -2.177 204 HG3 PRO 30 2HG PRO 30 17.740 -1.876 -1.358 205 HD2 PRO 30 1HD PRO 30 15.240 -2.789 -2.005 206 HD3 PRO 30 2HD PRO 30 16.054 -3.364 -0.535 207 H GLN 31 H GLN 31 13.388 -0.355 -1.486 208 HA GLN 31 HA GLN 31 13.322 2.522 -1.611 209 HB2 GLN 31 1HB GLN 31 12.617 0.553 -3.292 210 HB3 GLN 31 2HB GLN 31 11.030 0.778 -2.563 211 HG2 GLN 31 1HG GLN 31 10.885 2.982 -3.523 212 HG3 GLN 31 2HG GLN 31 12.643 3.089 -3.740 213 HE21 GLN 31 1HE2 GLN 31 12.571 3.522 -6.071 214 HE22 GLN 31 2HE2 GLN 31 11.998 2.279 -7.163 215 H THR 32 H THR 32 11.873 0.162 0.441 216 HA THR 32 HA THR 32 10.141 2.216 1.712 217 HB THR 32 HB THR 32 8.569 0.358 2.237 218 HG1 THR 32 1HG THR 32 9.592 -1.133 0.062 219 HG21 THR 32 3HG2 THR 32 8.870 0.818 -0.763 220 HG22 THR 32 1HG2 THR 32 8.114 1.957 0.377 221 HG23 THR 32 2HG2 THR 32 7.413 0.350 0.138 222 H GLY 33 H GLY 33 11.495 -1.029 2.057 223 HA2 GLY 33 1HA GLY 33 13.091 -1.476 3.939 224 HA3 GLY 33 2HA GLY 33 11.975 -0.587 4.988 225 H LEU 34 H LEU 34 10.444 -2.469 2.504 226 HA LEU 34 HA LEU 34 9.328 -4.394 4.458 227 HB2 LEU 34 1HB LEU 34 8.749 -3.802 1.523 228 HB3 LEU 34 2HB LEU 34 7.822 -4.916 2.516 229 HG LEU 34 HG LEU 34 8.051 -1.946 3.197 230 HD11 LEU 34 1HD1 LEU 34 7.139 -2.157 0.945 231 HD12 LEU 34 2HD1 LEU 34 5.883 -1.649 2.077 232 HD13 LEU 34 3HD1 LEU 34 5.945 -3.341 1.505 233 HD21 LEU 34 3HD2 LEU 34 6.089 -4.106 4.063 234 HD22 LEU 34 1HD2 LEU 34 5.986 -2.386 4.494 235 HD23 LEU 34 2HD2 LEU 34 7.345 -3.370 5.066 236 H TYR 35 H TYR 35 9.027 -6.695 3.401 237 HA TYR 35 HA TYR 35 11.350 -7.468 1.722 238 HB2 TYR 35 1HB TYR 35 10.048 -8.932 4.035 239 HB3 TYR 35 2HB TYR 35 10.889 -9.801 2.775 240 HD1 TYR 35 1HD TYR 35 11.393 -7.177 5.397 241 HD2 TYR 35 2HD TYR 35 13.216 -10.086 2.797 242 HE1 TYR 35 1HE TYR 35 13.599 -6.841 6.530 243 HE2 TYR 35 2HE TYR 35 15.388 -9.745 3.880 244 HH TYR 35 HH TYR 35 16.559 -8.554 5.561 245 H TYR 36 H TYR 36 10.793 -9.444 0.415 246 HA TYR 36 HA TYR 36 7.980 -9.783 -0.455 247 HB2 TYR 36 1HB TYR 36 8.710 -8.031 -1.900 248 HB3 TYR 36 2HB TYR 36 10.309 -8.718 -2.078 249 HD1 TYR 36 2HD TYR 36 6.751 -9.061 -3.197 250 HD2 TYR 36 1HD TYR 36 10.817 -10.409 -3.691 251 HE1 TYR 36 2HE TYR 36 6.166 -10.168 -5.380 252 HE2 TYR 36 1HE TYR 36 10.213 -11.546 -5.778 253 HH TYR 36 HH TYR 36 8.593 -11.752 -7.429 254 H ASP 37 H ASP 37 7.778 -11.798 -1.755 255 HA ASP 37 HA ASP 37 10.080 -13.722 -1.504 256 HB2 ASP 37 1HB ASP 37 8.170 -13.966 0.211 257 HB3 ASP 37 2HB ASP 37 7.137 -14.387 -1.133 258 HA PRO 38 HA PRO 38 9.041 -13.766 -5.828 259 HB2 PRO 38 1HB PRO 38 10.307 -16.049 -6.752 260 HB3 PRO 38 2HB PRO 38 11.146 -14.521 -6.332 261 HG2 PRO 38 1HG PRO 38 10.658 -16.930 -4.545 262 HG3 PRO 38 2HG PRO 38 12.240 -16.137 -4.892 263 HD2 PRO 38 1HD PRO 38 10.991 -15.443 -2.689 264 HD3 PRO 38 2HD PRO 38 11.523 -14.134 -3.736 265 H ASN 39 H ASN 39 8.428 -16.903 -4.056 266 HA ASN 39 HA ASN 39 6.645 -17.827 -6.142 267 HB2 ASN 39 1HB ASN 39 7.397 -18.724 -3.353 268 HB3 ASN 39 2HB ASN 39 6.020 -19.382 -4.134 269 HD21 ASN 39 1HD2 ASN 39 9.249 -19.859 -3.681 270 HD22 ASN 39 2HD2 ASN 39 9.578 -20.975 -4.998 271 H SER 40 H SER 40 6.406 -15.855 -3.325 272 HA SER 40 HA SER 40 3.431 -15.739 -3.513 273 HB2 SER 40 1HB SER 40 5.112 -15.895 -0.976 274 HB3 SER 40 2HB SER 40 3.372 -15.558 -1.043 275 HG SER 40 HG SER 40 4.795 -17.902 -1.477 276 H GLN 41 H GLN 41 3.440 -13.830 -4.600 277 HA GLN 41 HA GLN 41 5.095 -11.594 -4.183 278 HB2 GLN 41 1HB GLN 41 2.278 -11.714 -5.317 279 HB3 GLN 41 2HB GLN 41 3.304 -10.287 -5.372 280 HG2 GLN 41 1HG GLN 41 3.574 -11.186 -7.444 281 HG3 GLN 41 2HG GLN 41 5.038 -11.681 -6.613 282 HE21 GLN 41 1HE2 GLN 41 5.547 -13.813 -6.733 283 HE22 GLN 41 2HE2 GLN 41 4.472 -15.098 -7.259 284 H TYR 42 H TYR 42 3.049 -12.685 -1.841 285 HA TYR 42 HA TYR 42 1.863 -10.251 -0.875 286 HB2 TYR 42 1HB TYR 42 2.518 -12.873 0.524 287 HB3 TYR 42 2HB TYR 42 1.618 -11.535 1.241 288 HD1 TYR 42 2HD TYR 42 -0.431 -10.634 -0.176 289 HD2 TYR 42 1HD TYR 42 1.248 -14.597 -0.537 290 HE1 TYR 42 2HE TYR 42 -2.566 -11.447 -1.137 291 HE2 TYR 42 1HE TYR 42 -0.880 -15.418 -1.487 292 HH TYR 42 HH TYR 42 -3.333 -14.717 -1.387 293 H TYR 43 H TYR 43 3.025 -8.625 -0.224 294 HA TYR 43 HA TYR 43 5.872 -8.692 0.343 295 HB2 TYR 43 1HB TYR 43 3.660 -6.599 0.589 296 HB3 TYR 43 2HB TYR 43 5.244 -6.330 1.293 297 HD1 TYR 43 2HD TYR 43 3.614 -7.149 -1.994 298 HD2 TYR 43 1HD TYR 43 7.182 -5.801 0.034 299 HE1 TYR 43 2HE TYR 43 4.581 -6.515 -4.145 300 HE2 TYR 43 1HE TYR 43 8.157 -5.125 -2.105 301 HH TYR 43 HH TYR 43 7.761 -4.823 -4.371 302 H TYR 44 H TYR 44 6.839 -8.260 2.369 303 HA TYR 44 HA TYR 44 5.221 -9.103 4.720 304 HB2 TYR 44 1HB TYR 44 6.770 -10.844 3.969 305 HB3 TYR 44 2HB TYR 44 8.101 -9.733 4.075 306 HD1 TYR 44 2HD TYR 44 5.247 -11.056 6.166 307 HD2 TYR 44 1HD TYR 44 9.327 -9.637 6.099 308 HE1 TYR 44 2HE TYR 44 5.464 -11.546 8.589 309 HE2 TYR 44 1HE TYR 44 9.551 -10.126 8.485 310 HH TYR 44 HH TYR 44 8.432 -10.710 10.410 311 H ASN 45 H ASN 45 4.978 -7.639 6.077 312 HA ASN 45 HA ASN 45 6.772 -5.270 6.307 313 HB2 ASN 45 1HB ASN 45 4.450 -4.701 5.948 314 HB3 ASN 45 2HB ASN 45 3.949 -5.881 7.186 315 HD21 ASN 45 1HD2 ASN 45 3.360 -4.977 9.005 316 HD22 ASN 45 2HD2 ASN 45 4.019 -3.533 9.728 317 H ALA 46 H ALA 46 8.456 -6.394 7.372 318 HA ALA 46 HA ALA 46 8.392 -8.063 9.584 319 HB1 ALA 46 1HB ALA 46 10.594 -7.126 10.112 320 HB2 ALA 46 2HB ALA 46 10.440 -7.351 8.355 321 HB3 ALA 46 3HB ALA 46 10.279 -5.719 9.077 322 H GLN 47 H GLN 47 8.163 -4.460 9.566 323 HA GLN 47 HA GLN 47 8.450 -3.733 12.069 324 HB2 GLN 47 1HB GLN 47 7.623 -2.574 9.793 325 HB3 GLN 47 2HB GLN 47 6.029 -2.743 10.529 326 HG2 GLN 47 1HG GLN 47 7.037 -1.554 12.554 327 HG3 GLN 47 2HG GLN 47 8.504 -1.395 11.546 328 HE21 GLN 47 1HE2 GLN 47 4.967 -0.985 10.646 329 HE22 GLN 47 2HE2 GLN 47 5.226 0.654 10.052 330 H SER 48 H SER 48 5.377 -4.992 10.767 331 HA SER 48 HA SER 48 4.339 -5.387 13.512 332 HB2 SER 48 1HB SER 48 2.472 -5.095 11.187 333 HB3 SER 48 2HB SER 48 2.273 -4.613 12.871 334 HG SER 48 HG SER 48 2.523 -2.739 11.865 335 H GLN 49 H GLN 49 5.894 -7.116 11.458 336 HA GLN 49 HA GLN 49 5.892 -9.047 10.392 337 HB2 GLN 49 1HB GLN 49 4.672 -9.954 13.040 338 HB3 GLN 49 2HB GLN 49 5.534 -10.985 11.883 339 HG2 GLN 49 1HG GLN 49 7.477 -9.265 12.140 340 HG3 GLN 49 2HG GLN 49 6.650 -8.748 13.607 341 HE21 GLN 49 1HE2 GLN 49 6.920 -10.104 15.523 342 HE22 GLN 49 2HE2 GLN 49 7.874 -11.564 15.452 343 H GLN 50 H GLN 50 3.935 -7.754 9.193 344 HA GLN 50 HA GLN 50 1.633 -9.583 9.009 345 HB2 GLN 50 1HB GLN 50 1.791 -6.852 9.715 346 HB3 GLN 50 2HB GLN 50 1.291 -6.803 8.069 347 HG2 GLN 50 1HG GLN 50 -0.555 -6.805 9.750 348 HG3 GLN 50 2HG GLN 50 -0.659 -8.084 8.532 349 HE21 GLN 50 1HE2 GLN 50 1.473 -8.222 11.482 350 HE22 GLN 50 2HE2 GLN 50 0.796 -9.736 11.941 351 H TYR 51 H TYR 51 0.890 -10.156 7.058 352 HA TYR 51 HA TYR 51 2.683 -9.681 4.723 353 HB2 TYR 51 1HB TYR 51 0.529 -11.691 5.211 354 HB3 TYR 51 2HB TYR 51 1.256 -11.282 3.660 355 HD1 TYR 51 1HD TYR 51 2.162 -12.588 7.083 356 HD2 TYR 51 2HD TYR 51 3.315 -12.098 2.962 357 HE1 TYR 51 1HE TYR 51 3.845 -14.352 7.370 358 HE2 TYR 51 2HE TYR 51 4.944 -13.957 3.190 359 HH TYR 51 HH TYR 51 4.987 -15.988 6.009 360 H LEU 52 H LEU 52 2.004 -8.627 2.981 361 HA LEU 52 HA LEU 52 -0.714 -7.409 2.829 362 HB2 LEU 52 1HB LEU 52 1.982 -6.050 2.677 363 HB3 LEU 52 2HB LEU 52 0.486 -5.284 2.430 364 HG LEU 52 HG LEU 52 1.929 -5.994 4.877 365 HD11 LEU 52 1HD1 LEU 52 -0.507 -4.138 4.471 366 HD12 LEU 52 2HD1 LEU 52 1.130 -3.673 3.941 367 HD13 LEU 52 3HD1 LEU 52 0.808 -3.915 5.657 368 HD21 LEU 52 3HD2 LEU 52 -0.299 -5.724 6.363 369 HD22 LEU 52 1HD2 LEU 52 0.503 -7.228 6.030 370 HD23 LEU 52 2HD2 LEU 52 -0.909 -6.787 5.101 371 H TYR 53 H TYR 53 -0.539 -5.961 0.588 372 HA TYR 53 HA TYR 53 1.024 -7.418 -1.435 373 HB2 TYR 53 1HB TYR 53 -0.843 -7.508 -2.990 374 HB3 TYR 53 2HB TYR 53 -1.181 -8.463 -1.567 375 HD1 TYR 53 1HD TYR 53 -2.678 -7.446 0.261 376 HD2 TYR 53 2HD TYR 53 -2.368 -5.762 -3.699 377 HE1 TYR 53 1HE TYR 53 -4.781 -6.195 0.622 378 HE2 TYR 53 2HE TYR 53 -4.517 -4.542 -3.330 379 HH TYR 53 HH TYR 53 -6.443 -4.420 -1.919 380 H TRP 54 H TRP 54 1.136 -6.173 -3.443 381 HA TRP 54 HA TRP 54 0.926 -3.195 -3.091 382 HB2 TRP 54 1HB TRP 54 3.292 -3.911 -3.383 383 HB3 TRP 54 2HB TRP 54 2.829 -5.089 -4.603 384 HD1 TRP 54 HD TRP 54 2.657 -4.320 -7.091 385 HE1 TRP 54 1HE TRP 54 3.016 -2.202 -8.352 386 HE3 TRP 54 3HE TRP 54 3.331 -1.232 -3.107 387 HZ2 TRP 54 2HZ TRP 54 3.237 0.691 -7.685 388 HZ3 TRP 54 3HZ TRP 54 3.382 1.187 -3.385 389 HH2 TRP 54 HH TRP 54 3.331 2.178 -5.717 390 H ASP 55 H ASP 55 -0.202 -2.079 -4.284 391 HA ASP 55 HA ASP 55 -1.631 -3.269 -6.527 392 HB2 ASP 55 1HB ASP 55 -3.377 -1.904 -5.616 393 HB3 ASP 55 2HB ASP 55 -3.042 -3.262 -4.580 394 H GLY 56 H GLY 56 0.146 -2.369 -7.737 395 HA2 GLY 56 1HA GLY 56 0.865 0.332 -7.869 396 HA3 GLY 56 2HA GLY 56 1.020 -0.846 -9.178 397 H GLU 57 H GLU 57 -2.250 -0.591 -8.313 398 HA GLU 57 HA GLU 57 -3.012 0.921 -10.668 399 HB2 GLU 57 1HB GLU 57 -4.703 -0.087 -8.331 400 HB3 GLU 57 2HB GLU 57 -5.238 0.381 -9.955 401 HG2 GLU 57 1HG GLU 57 -3.744 -1.621 -10.740 402 HG3 GLU 57 2HG GLU 57 -3.733 -2.110 -9.036 403 H ARG 58 H ARG 58 -3.554 1.071 -7.150 404 HA ARG 58 HA ARG 58 -4.010 3.926 -6.940 405 HB2 ARG 58 1HB ARG 58 -3.529 1.663 -4.942 406 HB3 ARG 58 2HB ARG 58 -3.903 3.333 -4.471 407 HG2 ARG 58 1HG ARG 58 -6.071 3.179 -5.692 408 HG3 ARG 58 2HG ARG 58 -5.652 1.486 -6.130 409 HD2 ARG 58 1HD ARG 58 -5.899 0.718 -3.968 410 HD3 ARG 58 2HD ARG 58 -5.618 2.306 -3.237 411 HE ARG 58 HE ARG 58 -8.084 2.389 -4.655 412 HH11 ARG 58 1HH1 ARG 58 -6.743 0.690 -1.848 413 HH12 ARG 58 2HH1 ARG 58 -8.201 0.679 -0.928 414 HH21 ARG 58 1HH2 ARG 58 -10.090 2.359 -3.453 415 HH22 ARG 58 2HH2 ARG 58 -10.170 1.693 -1.886 416 H ARG 59 H ARG 59 -1.300 1.776 -6.780 417 HA ARG 59 HA ARG 59 0.885 1.907 -6.332 418 HB2 ARG 59 1HB ARG 59 0.681 4.935 -6.426 419 HB3 ARG 59 2HB ARG 59 2.141 3.986 -6.209 420 HG2 ARG 59 1HG ARG 59 1.628 2.901 -8.492 421 HG3 ARG 59 2HG ARG 59 0.396 4.181 -8.677 422 HD2 ARG 59 1HD ARG 59 2.320 5.813 -7.994 423 HD3 ARG 59 2HD ARG 59 3.407 4.461 -8.245 424 HE ARG 59 HE ARG 59 3.298 4.778 -10.451 425 HH11 ARG 59 1HH1 ARG 59 0.615 6.602 -9.039 426 HH12 ARG 59 2HH1 ARG 59 -0.042 7.138 -10.553 427 HH21 ARG 59 1HH2 ARG 59 2.946 6.168 -12.256 428 HH22 ARG 59 2HH2 ARG 59 1.483 7.085 -12.400 429 H THR 60 H THR 60 -0.313 0.924 -4.266 430 HA THR 60 HA THR 60 1.021 2.370 -2.144 431 HB THR 60 HB THR 60 -1.256 3.322 -2.231 432 HG1 THR 60 1HG THR 60 -0.539 3.574 -0.354 433 HG21 THR 60 3HG2 THR 60 -3.202 2.123 -1.502 434 HG22 THR 60 1HG2 THR 60 -2.270 0.615 -1.366 435 HG23 THR 60 2HG2 THR 60 -2.554 1.335 -2.954 436 H TYR 61 H TYR 61 0.438 0.841 -0.056 437 HA TYR 61 HA TYR 61 0.607 -2.002 -0.903 438 HB2 TYR 61 1HB TYR 61 2.110 -0.832 1.474 439 HB3 TYR 61 2HB TYR 61 1.924 -2.538 1.112 440 HD1 TYR 61 2HD TYR 61 3.524 0.641 -0.083 441 HD2 TYR 61 1HD TYR 61 3.334 -3.645 -0.507 442 HE1 TYR 61 2HE TYR 61 5.667 0.664 -1.321 443 HE2 TYR 61 1HE TYR 61 5.474 -3.619 -1.727 444 HH TYR 61 HH TYR 61 7.740 -1.784 -1.737 445 H VAL 62 H VAL 62 -0.967 -3.179 0.022 446 HA VAL 62 HA VAL 62 -2.492 -2.017 2.244 447 HB VAL 62 HB VAL 62 -4.481 -3.219 0.796 448 HG11 VAL 62 1HG1 VAL 62 -5.292 -1.004 0.427 449 HG12 VAL 62 2HG1 VAL 62 -4.449 -0.977 1.958 450 HG13 VAL 62 3HG1 VAL 62 -3.637 -0.292 0.540 451 HG21 VAL 62 3HG2 VAL 62 -4.381 -2.463 -1.532 452 HG22 VAL 62 1HG2 VAL 62 -2.862 -1.626 -1.232 453 HG23 VAL 62 2HG2 VAL 62 -2.888 -3.374 -1.227 454 HA PRO 63 HA PRO 63 -2.160 -5.764 4.012 455 HB2 PRO 63 1HB PRO 63 -4.242 -5.980 5.746 456 HB3 PRO 63 2HB PRO 63 -2.946 -4.740 5.933 457 HG2 PRO 63 1HG PRO 63 -5.688 -4.445 4.710 458 HG3 PRO 63 2HG PRO 63 -4.862 -3.319 5.835 459 HD2 PRO 63 1HD PRO 63 -4.930 -2.967 3.116 460 HD3 PRO 63 2HD PRO 63 -3.554 -2.441 4.121 461 H ALA 64 H ALA 64 -2.417 -7.841 3.611 462 HA ALA 64 HA ALA 64 -4.367 -8.578 1.619 463 HB1 ALA 64 1HB ALA 64 -1.974 -9.272 1.531 464 HB2 ALA 64 2HB ALA 64 -2.233 -10.277 2.981 465 HB3 ALA 64 3HB ALA 64 -3.071 -10.659 1.467 466 H LEU 65 H LEU 65 -5.928 -8.010 3.672 467 HA LEU 65 HA LEU 65 -6.454 -10.143 5.536 468 HB2 LEU 65 1HB LEU 65 -8.344 -7.905 4.666 469 HB3 LEU 65 2HB LEU 65 -8.441 -8.868 6.140 470 HG LEU 65 HG LEU 65 -6.276 -6.855 5.420 471 HD11 LEU 65 1HD1 LEU 65 -8.388 -5.831 5.984 472 HD12 LEU 65 2HD1 LEU 65 -7.197 -5.538 7.254 473 HD13 LEU 65 3HD1 LEU 65 -8.476 -6.753 7.503 474 HD21 LEU 65 3HD2 LEU 65 -5.164 -8.514 6.724 475 HD22 LEU 65 1HD2 LEU 65 -6.527 -8.687 7.833 476 HD23 LEU 65 2HD2 LEU 65 -5.552 -7.202 7.844 477 H GLU 66 H GLU 66 -8.128 -9.058 2.595 478 HA GLU 66 HA GLU 66 -9.348 -11.738 2.262 479 HB2 GLU 66 1HB GLU 66 -11.489 -10.615 1.574 480 HB3 GLU 66 2HB GLU 66 -11.135 -10.725 3.298 481 HG2 GLU 66 1HG GLU 66 -10.462 -8.293 3.271 482 HG3 GLU 66 2HG GLU 66 -10.913 -8.219 1.560 483 H GLN 67 H GLN 67 -9.254 -8.500 0.774 484 HA GLN 67 HA GLN 67 -8.565 -7.716 -1.204 485 HB2 GLN 67 1HB GLN 67 -6.647 -9.632 -0.685 486 HB3 GLN 67 2HB GLN 67 -7.203 -10.146 -2.275 487 HG2 GLN 67 1HG GLN 67 -6.415 -7.308 -1.568 488 HG3 GLN 67 2HG GLN 67 -5.245 -8.512 -2.115 489 HE21 GLN 67 1HE2 GLN 67 -4.777 -6.959 -3.871 490 HE22 GLN 67 2HE2 GLN 67 -5.774 -6.996 -5.308 491 H SER 68 H SER 68 -10.549 -7.414 -2.123 492 HA SER 68 HA SER 68 -11.588 -9.403 -3.997 493 HB2 SER 68 1HB SER 68 -13.047 -8.741 -1.399 494 HB3 SER 68 2HB SER 68 -13.824 -9.481 -2.816 495 HG SER 68 HG SER 68 -11.444 -10.654 -1.989 496 H ALA 69 H ALA 69 -11.845 -8.092 -5.662 497 HA ALA 69 HA ALA 69 -11.990 -6.224 -6.869 498 HB1 ALA 69 1HB ALA 69 -14.143 -5.170 -6.927 499 HB2 ALA 69 2HB ALA 69 -14.380 -6.890 -6.584 500 HB3 ALA 69 3HB ALA 69 -14.500 -5.710 -5.264 501 H ASP 70 H ASP 70 -13.130 -3.628 -6.132 502 HA ASP 70 HA ASP 70 -11.528 -2.624 -3.981 503 HB2 ASP 70 1HB ASP 70 -9.867 -2.905 -5.850 504 HB3 ASP 70 2HB ASP 70 -10.840 -1.828 -6.831 505 H GLY 71 H GLY 71 -11.736 0.120 -4.437 506 HA2 GLY 71 1HA GLY 71 -13.920 0.967 -5.994 507 HA3 GLY 71 2HA GLY 71 -14.469 0.792 -4.319 508 H HIS 72 H HIS 72 -14.663 3.299 -4.899 509 HA HIS 72 HA HIS 72 -12.330 4.896 -4.248 510 HB2 HIS 72 1HB HIS 72 -15.326 5.282 -4.199 511 HB3 HIS 72 2HB HIS 72 -14.333 6.382 -3.281 512 HD1 HIS 72 1HD HIS 72 -15.205 5.651 -6.984 513 HD2 HIS 72 2HD HIS 72 -12.657 8.016 -4.575 514 HE1 HIS 72 1HE HIS 72 -14.461 7.562 -8.407 515 H LYS 73 H LYS 73 -14.199 2.656 -2.393 516 HA LYS 73 HA LYS 73 -13.502 3.932 0.191 517 HB2 LYS 73 1HB LYS 73 -15.027 2.278 1.196 518 HB3 LYS 73 2HB LYS 73 -15.817 3.342 0.061 519 HG2 LYS 73 1HG LYS 73 -16.067 1.651 -1.577 520 HG3 LYS 73 2HG LYS 73 -14.906 0.567 -0.775 521 HD2 LYS 73 1HD LYS 73 -16.381 0.206 1.106 522 HD3 LYS 73 2HD LYS 73 -17.455 1.511 0.592 523 HE2 LYS 73 1HE LYS 73 -18.491 -0.617 0.136 524 HE3 LYS 73 2HE LYS 73 -18.176 0.251 -1.358 525 HZ1 LYS 73 3HZ LYS 73 -16.414 -1.216 -1.849 526 HZ2 LYS 73 1HZ LYS 73 -17.666 -2.131 -1.359 527 HZ3 LYS 73 2HZ LYS 73 -16.406 -1.909 -0.336 528 H GLU 74 H GLU 74 -13.171 2.004 1.897 529 HA GLU 74 HA GLU 74 -11.298 -0.046 0.864 530 HB2 GLU 74 1HB GLU 74 -11.012 1.369 3.551 531 HB3 GLU 74 2HB GLU 74 -10.017 0.081 2.863 532 HG2 GLU 74 1HG GLU 74 -9.436 1.784 0.984 533 HG3 GLU 74 2HG GLU 74 -10.122 2.996 2.072 534 H THR 75 H THR 75 -11.080 -1.671 2.863 535 HA THR 75 HA THR 75 -13.564 -2.937 3.127 536 HB THR 75 HB THR 75 -11.192 -3.448 4.927 537 HG1 THR 75 1HG THR 75 -11.214 -4.032 2.132 538 HG21 THR 75 3HG2 THR 75 -13.108 -4.985 5.013 539 HG22 THR 75 1HG2 THR 75 -11.692 -5.805 4.323 540 HG23 THR 75 2HG2 THR 75 -12.994 -5.228 3.254 541 H GLY 76 H GLY 76 -11.810 -0.746 5.283 542 HA2 GLY 76 1HA GLY 76 -14.124 -0.479 7.119 543 HA3 GLY 76 2HA GLY 76 -12.636 -1.212 7.743 544 H ALA 77 H ALA 77 -13.961 1.688 6.209 545 HA ALA 77 HA ALA 77 -12.122 3.417 7.737 546 HB1 ALA 77 1HB ALA 77 -12.247 3.518 4.714 547 HB2 ALA 77 2HB ALA 77 -11.584 4.793 5.758 548 HB3 ALA 77 3HB ALA 77 -10.844 3.187 5.745 549 HA PRO 78 HA PRO 78 -16.525 4.772 7.659 550 HB2 PRO 78 1HB PRO 78 -16.915 5.192 10.314 551 HB3 PRO 78 2HB PRO 78 -16.791 3.570 9.609 552 HG2 PRO 78 1HG PRO 78 -14.582 5.197 10.920 553 HG3 PRO 78 2HG PRO 78 -15.100 3.526 11.318 554 HD2 PRO 78 1HD PRO 78 -13.025 4.034 9.623 555 HD3 PRO 78 2HD PRO 78 -14.133 2.660 9.348 556 H SER 79 H SER 79 -15.561 6.657 6.365 557 HA SER 79 HA SER 79 -15.837 8.987 5.947 558 HB2 SER 79 1HB SER 79 -17.064 9.121 8.722 559 HB3 SER 79 2HB SER 79 -17.136 10.326 7.463 560 HG SER 79 HG SER 79 -18.476 7.957 7.783 561 H LYS 80 H LYS 80 -13.593 9.236 5.792 562 HA LYS 80 HA LYS 80 -12.528 10.900 8.032 563 HB2 LYS 80 1HB LYS 80 -11.341 8.504 6.698 564 HB3 LYS 80 2HB LYS 80 -10.254 9.869 6.830 565 HG2 LYS 80 1HG LYS 80 -11.756 8.675 9.199 566 HG3 LYS 80 2HG LYS 80 -10.095 8.291 8.720 567 HD2 LYS 80 1HD LYS 80 -9.662 10.842 8.866 568 HD3 LYS 80 2HD LYS 80 -11.166 10.925 9.800 569 HE2 LYS 80 1HE LYS 80 -10.280 9.415 11.483 570 HE3 LYS 80 2HE LYS 80 -8.891 9.019 10.464 571 HZ1 LYS 80 3HZ LYS 80 -8.153 11.296 10.659 572 HZ2 LYS 80 1HZ LYS 80 -8.249 10.561 12.134 573 HZ3 LYS 80 2HZ LYS 80 -9.414 11.639 11.678 574 H GLU 81 H GLU 81 -12.925 10.555 4.536 575 HA GLU 81 HA GLU 81 -11.719 13.222 4.127 576 HB2 GLU 81 1HB GLU 81 -9.722 12.355 2.881 577 HB3 GLU 81 2HB GLU 81 -9.663 12.034 4.603 578 HG2 GLU 81 1HG GLU 81 -10.337 9.721 4.287 579 HG3 GLU 81 2HG GLU 81 -10.638 9.987 2.564 580 H GLY 82 H GLY 82 -13.344 10.514 2.790 581 HA2 GLY 82 1HA GLY 82 -13.620 11.967 0.168 582 HA3 GLY 82 2HA GLY 82 -13.381 10.214 0.265 583 H LYS 83 H LYS 83 -15.036 8.920 1.259 584 HA LYS 83 HA LYS 83 -17.716 9.634 0.759 585 HB2 LYS 83 1HB LYS 83 -18.359 7.680 2.039 586 HB3 LYS 83 2HB LYS 83 -17.030 7.320 0.953 587 HG2 LYS 83 1HG LYS 83 -15.486 7.065 2.707 588 HG3 LYS 83 2HG LYS 83 -16.432 8.027 3.843 589 HD2 LYS 83 1HD LYS 83 -16.559 5.705 4.495 590 HD3 LYS 83 2HD LYS 83 -18.148 6.289 3.981 591 HE2 LYS 83 1HE LYS 83 -17.642 5.299 1.687 592 HE3 LYS 83 2HE LYS 83 -16.213 4.539 2.394 593 HZ1 LYS 83 3HZ LYS 83 -17.733 3.401 3.960 594 HZ2 LYS 83 1HZ LYS 83 -18.146 3.062 2.393 595 HZ3 LYS 83 2HZ LYS 83 -19.014 4.126 3.265 596 H GLU 84 H GLU 84 -15.832 10.886 3.323 597 HA GLU 84 HA GLU 84 -17.590 10.692 5.473 598 HB2 GLU 84 1HB GLU 84 -16.494 12.611 6.437 599 HB3 GLU 84 2HB GLU 84 -15.337 11.436 5.810 600 HG2 GLU 84 1HG GLU 84 -14.800 12.789 3.919 601 HG3 GLU 84 2HG GLU 84 -16.116 13.913 4.226 602 H LYS 85 H LYS 85 -17.642 12.853 2.696 603 HA LYS 85 HA LYS 85 -20.229 14.068 3.566 604 HB2 LYS 85 1HB LYS 85 -17.908 15.293 2.029 605 HB3 LYS 85 2HB LYS 85 -19.459 16.096 2.226 606 HG2 LYS 85 1HG LYS 85 -17.892 15.247 4.678 607 HG3 LYS 85 2HG LYS 85 -17.429 16.677 3.768 608 HD2 LYS 85 1HD LYS 85 -18.831 17.294 5.592 609 HD3 LYS 85 2HD LYS 85 -19.640 17.652 4.062 610 HE2 LYS 85 1HE LYS 85 -21.240 15.941 4.368 611 HE3 LYS 85 2HE LYS 85 -20.264 15.104 5.584 612 HZ1 LYS 85 3HZ LYS 85 -21.229 17.846 6.048 613 HZ2 LYS 85 1HZ LYS 85 -20.689 16.747 7.138 614 HZ3 LYS 85 2HZ LYS 85 -22.166 16.554 6.455 615 H LYS 86 H LYS 86 -19.619 11.604 2.003 616 HA LYS 86 HA LYS 86 -19.994 10.595 0.004 617 HB2 LYS 86 1HB LYS 86 -22.352 12.506 0.089 618 HB3 LYS 86 2HB LYS 86 -22.241 11.071 -0.938 619 HG2 LYS 86 1HG LYS 86 -22.277 9.572 0.914 620 HG3 LYS 86 2HG LYS 86 -21.902 10.845 2.072 621 HD2 LYS 86 1HD LYS 86 -24.196 10.216 2.326 622 HD3 LYS 86 2HD LYS 86 -24.082 11.881 1.737 623 HE2 LYS 86 1HE LYS 86 -24.542 11.046 -0.585 624 HE3 LYS 86 2HE LYS 86 -24.698 9.401 0.065 625 HZ1 LYS 86 3HZ LYS 86 -26.848 10.454 -0.176 626 HZ2 LYS 86 1HZ LYS 86 -26.400 11.713 0.772 627 HZ3 LYS 86 2HZ LYS 86 -26.565 10.208 1.419 628 H GLU 87 H GLU 87 -18.003 12.547 -0.216 629 HA GLU 87 HA GLU 87 -16.781 13.696 -1.710 630 HB2 GLU 87 1HB GLU 87 -18.165 11.741 -3.582 631 HB3 GLU 87 2HB GLU 87 -16.686 12.642 -3.945 632 HG2 GLU 87 1HG GLU 87 -15.474 11.540 -2.155 633 HG3 GLU 87 2HG GLU 87 -16.936 10.737 -1.576 634 H LYS 88 H LYS 88 -19.066 15.130 -1.026 635 HA LYS 88 HA LYS 88 -20.535 16.291 -3.120 636 HB2 LYS 88 1HB LYS 88 -19.769 17.009 -0.312 637 HB3 LYS 88 2HB LYS 88 -20.246 18.367 -1.335 638 HG2 LYS 88 1HG LYS 88 -22.354 17.479 -1.797 639 HG3 LYS 88 2HG LYS 88 -21.958 15.871 -1.167 640 HD2 LYS 88 1HD LYS 88 -22.003 16.552 1.073 641 HD3 LYS 88 2HD LYS 88 -21.793 18.254 0.693 642 HE2 LYS 88 1HE LYS 88 -24.151 17.144 1.463 643 HE3 LYS 88 2HE LYS 88 -23.988 18.655 0.556 644 HZ1 LYS 88 3HZ LYS 88 -25.606 16.980 -0.374 645 HZ2 LYS 88 1HZ LYS 88 -24.332 16.070 -0.815 646 HZ3 LYS 88 2HZ LYS 88 -24.497 17.610 -1.414 647 H HIS 89 H HIS 89 -17.651 17.880 -1.596 648 HA HIS 89 HA HIS 89 -16.581 18.600 -4.190 649 HB2 HIS 89 1HB HIS 89 -18.384 20.320 -3.863 650 HB3 HIS 89 2HB HIS 89 -17.650 20.778 -2.330 651 HD1 HIS 89 1HD HIS 89 -15.475 22.371 -2.474 652 HD2 HIS 89 2HD HIS 89 -17.095 21.068 -6.156 653 HE1 HIS 89 1HE HIS 89 -14.323 23.706 -4.286 654 H LYS 90 H LYS 90 -14.451 19.725 -3.885 655 HA LYS 90 HA LYS 90 -13.296 19.703 -1.176 656 HB2 LYS 90 1HB LYS 90 -12.220 18.190 -3.602 657 HB3 LYS 90 2HB LYS 90 -11.214 18.613 -2.207 658 HG2 LYS 90 1HG LYS 90 -12.682 17.331 -0.722 659 HG3 LYS 90 2HG LYS 90 -13.730 16.882 -2.068 660 HD2 LYS 90 1HD LYS 90 -10.777 16.143 -2.071 661 HD3 LYS 90 2HD LYS 90 -11.988 15.213 -1.197 662 HE2 LYS 90 1HE LYS 90 -12.012 14.027 -3.121 663 HE3 LYS 90 2HE LYS 90 -13.302 15.174 -3.478 664 HZ1 LYS 90 3HZ LYS 90 -11.668 16.431 -4.801 665 HZ2 LYS 90 1HZ LYS 90 -11.753 14.843 -5.284 666 HZ3 LYS 90 2HZ LYS 90 -10.489 15.374 -4.405 667 H THR 91 H THR 91 -11.704 21.360 -1.022 668 HA THR 91 HA THR 91 -11.453 23.114 -3.423 669 HB THR 91 HB THR 91 -12.054 24.127 -0.627 670 HG1 THR 91 1HG THR 91 -13.870 23.074 -1.254 671 HG21 THR 91 3HG2 THR 91 -12.708 26.173 -1.869 672 HG22 THR 91 1HG2 THR 91 -12.240 25.413 -3.403 673 HG23 THR 91 2HG2 THR 91 -11.012 25.774 -2.176 674 H LYS 92 H LYS 92 -9.485 21.710 -3.377 675 HA LYS 92 HA LYS 92 -7.267 21.449 -3.256 676 HB2 LYS 92 1HB LYS 92 -7.387 24.275 -2.284 677 HB3 LYS 92 2HB LYS 92 -6.047 23.323 -1.686 678 HG2 LYS 92 1HG LYS 92 -5.388 22.774 -3.997 679 HG3 LYS 92 2HG LYS 92 -6.680 23.822 -4.614 680 HD2 LYS 92 1HD LYS 92 -5.696 25.762 -3.523 681 HD3 LYS 92 2HD LYS 92 -4.550 24.737 -2.625 682 HE2 LYS 92 1HE LYS 92 -3.430 24.062 -4.678 683 HE3 LYS 92 2HE LYS 92 -4.553 25.057 -5.639 684 HZ1 LYS 92 3HZ LYS 92 -2.520 26.234 -5.190 685 HZ2 LYS 92 1HZ LYS 92 -2.747 26.118 -3.546 686 HZ3 LYS 92 2HZ LYS 92 -3.781 26.986 -4.491 Start of MODEL 10 1 H1 GLY 1 H GLY 1 26.823 22.444 -12.700 2 HA2 GLY 1 1HA GLY 1 25.212 23.658 -11.302 3 HA3 GLY 1 2HA GLY 1 24.613 23.425 -12.955 4 H HIS 2 H HIS 2 24.569 21.914 -9.683 5 HA HIS 2 HA HIS 2 21.685 21.431 -10.048 6 HB2 HIS 2 1HB HIS 2 23.513 19.488 -8.589 7 HB3 HIS 2 2HB HIS 2 21.780 19.336 -8.853 8 HD1 HIS 2 1HD HIS 2 24.387 17.410 -9.825 9 HD2 HIS 2 2HD HIS 2 21.571 19.669 -12.023 10 HE1 HIS 2 1HE HIS 2 24.296 16.393 -12.179 11 H MET 3 H MET 3 20.668 21.275 -7.857 12 HA MET 3 HA MET 3 22.208 22.486 -5.658 13 HB2 MET 3 1HB MET 3 20.603 24.075 -7.080 14 HB3 MET 3 2HB MET 3 19.328 23.291 -6.164 15 HG2 MET 3 1HG MET 3 20.077 25.433 -5.195 16 HG3 MET 3 2HG MET 3 20.304 24.108 -4.069 17 HE1 MET 3 3HE MET 3 23.730 26.254 -6.382 18 HE2 MET 3 1HE MET 3 22.756 24.997 -7.164 19 HE3 MET 3 2HE MET 3 21.991 26.510 -6.649 20 H GLN 4 H GLN 4 20.228 22.390 -3.729 21 HA GLN 4 HA GLN 4 19.797 19.470 -3.507 22 HB2 GLN 4 1HB GLN 4 20.490 19.640 -1.176 23 HB3 GLN 4 2HB GLN 4 21.748 20.052 -2.326 24 HG2 GLN 4 1HG GLN 4 22.182 21.839 -1.136 25 HG3 GLN 4 2HG GLN 4 20.706 22.567 -1.743 26 HE21 GLN 4 1HE2 GLN 4 18.667 22.119 -0.399 27 HE22 GLN 4 2HE2 GLN 4 18.843 21.757 1.283 28 H GLU 5 H GLU 5 17.727 18.958 -3.242 29 HA GLU 5 HA GLU 5 15.786 20.972 -2.276 30 HB2 GLU 5 1HB GLU 5 15.437 19.499 -4.292 31 HB3 GLU 5 2HB GLU 5 15.318 18.105 -3.198 32 HG2 GLU 5 1HG GLU 5 13.377 19.242 -2.077 33 HG3 GLU 5 2HG GLU 5 13.573 20.607 -3.145 34 H SER 6 H SER 6 17.684 18.391 -0.981 35 HA SER 6 HA SER 6 17.583 17.091 0.909 36 HB2 SER 6 1HB SER 6 16.556 19.703 2.073 37 HB3 SER 6 2HB SER 6 17.385 18.402 2.956 38 HG SER 6 HG SER 6 19.267 18.846 1.842 39 H TYR 7 H TYR 7 15.715 16.107 -0.458 40 HA TYR 7 HA TYR 7 13.220 15.945 1.146 41 HB2 TYR 7 1HB TYR 7 13.576 17.152 -1.441 42 HB3 TYR 7 2HB TYR 7 12.738 15.657 -1.715 43 HD1 TYR 7 2HD TYR 7 12.583 18.960 -0.076 44 HD2 TYR 7 1HD TYR 7 10.448 15.288 -0.878 45 HE1 TYR 7 2HE TYR 7 10.436 20.069 0.492 46 HE2 TYR 7 1HE TYR 7 8.342 16.351 -0.182 47 HH TYR 7 HH TYR 7 7.346 18.266 0.560 48 H SER 8 H SER 8 11.873 14.025 0.074 49 HA SER 8 HA SER 8 11.611 11.906 -0.539 50 HB2 SER 8 1HB SER 8 13.796 12.541 -2.104 51 HB3 SER 8 2HB SER 8 14.387 11.140 -1.207 52 HG SER 8 HG SER 8 12.843 9.919 -2.071 53 H GLN 9 H GLN 9 11.051 11.362 1.539 54 HA GLN 9 HA GLN 9 12.889 10.731 3.615 55 HB2 GLN 9 1HB GLN 9 10.087 9.667 3.048 56 HB3 GLN 9 2HB GLN 9 11.040 9.243 4.476 57 HG2 GLN 9 1HG GLN 9 11.229 11.712 4.996 58 HG3 GLN 9 2HG GLN 9 10.084 12.022 3.695 59 HE21 GLN 9 1HE2 GLN 9 9.676 9.145 5.771 60 HE22 GLN 9 2HE2 GLN 9 8.426 9.872 6.768 61 H TYR 10 H TYR 10 11.999 8.912 0.731 62 HA TYR 10 HA TYR 10 13.986 6.821 1.394 63 HB2 TYR 10 1HB TYR 10 11.098 6.477 0.563 64 HB3 TYR 10 2HB TYR 10 12.277 5.235 0.221 65 HD1 TYR 10 1HD TYR 10 10.440 6.998 2.876 66 HD2 TYR 10 2HD TYR 10 13.261 3.872 1.996 67 HE1 TYR 10 1HE TYR 10 10.210 6.151 5.200 68 HE2 TYR 10 2HE TYR 10 13.130 3.071 4.347 69 HH TYR 10 HH TYR 10 10.661 4.135 6.501 70 HA PRO 11 HA PRO 11 14.782 7.291 -3.110 71 HB2 PRO 11 1HB PRO 11 15.607 4.784 -3.780 72 HB3 PRO 11 2HB PRO 11 16.604 5.840 -2.740 73 HG2 PRO 11 1HG PRO 11 14.614 3.711 -1.844 74 HG3 PRO 11 2HG PRO 11 16.336 3.845 -1.374 75 HD2 PRO 11 1HD PRO 11 14.427 4.868 0.189 76 HD3 PRO 11 2HD PRO 11 15.936 5.771 -0.061 77 H VAL 12 H VAL 12 14.059 5.723 -5.125 78 HA VAL 12 HA VAL 12 11.170 5.207 -4.739 79 HB VAL 12 HB VAL 12 12.547 6.275 -7.209 80 HG11 VAL 12 1HG1 VAL 12 9.596 6.084 -6.415 81 HG12 VAL 12 2HG1 VAL 12 10.246 6.795 -7.906 82 HG13 VAL 12 3HG1 VAL 12 10.404 5.059 -7.608 83 HG21 VAL 12 3HG2 VAL 12 12.678 7.992 -5.460 84 HG22 VAL 12 1HG2 VAL 12 11.402 8.429 -6.591 85 HG23 VAL 12 2HG2 VAL 12 10.980 7.724 -5.017 86 HA PRO 13 HA PRO 13 13.088 1.133 -5.863 87 HB2 PRO 13 1HB PRO 13 11.501 -0.466 -4.358 88 HB3 PRO 13 2HB PRO 13 12.714 0.590 -3.564 89 HG2 PRO 13 1HG PRO 13 9.763 1.227 -4.078 90 HG3 PRO 13 2HG PRO 13 10.626 1.246 -2.511 91 HD2 PRO 13 1HD PRO 13 10.312 3.473 -3.950 92 HD3 PRO 13 2HD PRO 13 11.860 3.156 -3.089 93 H ASP 14 H ASP 14 12.057 -0.923 -6.842 94 HA ASP 14 HA ASP 14 9.545 -0.417 -8.262 95 HB2 ASP 14 1HB ASP 14 11.101 -1.735 -9.993 96 HB3 ASP 14 2HB ASP 14 10.871 0.010 -9.994 97 H VAL 15 H VAL 15 8.235 -2.202 -8.309 98 HA VAL 15 HA VAL 15 8.917 -4.505 -6.825 99 HB VAL 15 HB VAL 15 6.664 -3.747 -7.002 100 HG11 VAL 15 1HG1 VAL 15 5.282 -3.972 -9.018 101 HG12 VAL 15 2HG1 VAL 15 6.597 -2.834 -9.287 102 HG13 VAL 15 3HG1 VAL 15 6.706 -4.483 -9.948 103 HG21 VAL 15 3HG2 VAL 15 6.898 -6.490 -8.261 104 HG22 VAL 15 1HG2 VAL 15 6.926 -6.103 -6.525 105 HG23 VAL 15 2HG2 VAL 15 5.466 -5.820 -7.472 106 H SER 16 H SER 16 9.557 -3.801 -10.242 107 HA SER 16 HA SER 16 9.822 -6.626 -10.894 108 HB2 SER 16 1HB SER 16 10.732 -5.959 -13.009 109 HB3 SER 16 2HB SER 16 9.217 -5.129 -12.641 110 HG SER 16 HG SER 16 10.358 -3.275 -12.153 111 H THR 17 H THR 17 11.757 -4.812 -8.818 112 HA THR 17 HA THR 17 14.055 -6.580 -9.383 113 HB THR 17 HB THR 17 15.413 -5.003 -8.213 114 HG1 THR 17 1HG THR 17 13.677 -2.922 -8.004 115 HG21 THR 17 3HG2 THR 17 15.385 -3.110 -9.732 116 HG22 THR 17 1HG2 THR 17 13.709 -3.428 -10.191 117 HG23 THR 17 2HG2 THR 17 14.982 -4.575 -10.652 118 H TYR 18 H TYR 18 11.309 -6.635 -7.551 119 HA TYR 18 HA TYR 18 12.310 -7.229 -4.899 120 HB2 TYR 18 1HB TYR 18 9.648 -7.650 -6.254 121 HB3 TYR 18 2HB TYR 18 9.966 -8.060 -4.596 122 HD1 TYR 18 2HD TYR 18 11.887 -5.177 -5.107 123 HD2 TYR 18 1HD TYR 18 7.907 -6.587 -4.410 124 HE1 TYR 18 2HE TYR 18 11.231 -2.913 -4.372 125 HE2 TYR 18 1HE TYR 18 7.208 -4.315 -3.685 126 HH TYR 18 HH TYR 18 9.596 -1.699 -3.240 127 H GLN 19 H GLN 19 11.776 -9.314 -3.827 128 HA GLN 19 HA GLN 19 12.708 -11.631 -5.502 129 HB2 GLN 19 1HB GLN 19 13.134 -10.938 -2.557 130 HB3 GLN 19 2HB GLN 19 13.484 -12.517 -3.209 131 HG2 GLN 19 1HG GLN 19 14.739 -10.475 -4.827 132 HG3 GLN 19 2HG GLN 19 15.172 -10.241 -3.145 133 HE21 GLN 19 1HE2 GLN 19 16.554 -11.708 -2.180 134 HE22 GLN 19 2HE2 GLN 19 17.447 -12.944 -3.075 135 H TYR 20 H TYR 20 10.866 -12.793 -6.129 136 HA TYR 20 HA TYR 20 8.594 -13.047 -4.551 137 HB2 TYR 20 1HB TYR 20 8.833 -13.394 -6.987 138 HB3 TYR 20 2HB TYR 20 9.753 -14.873 -6.704 139 HD1 TYR 20 1HD TYR 20 6.500 -13.273 -5.710 140 HD2 TYR 20 2HD TYR 20 8.528 -16.893 -6.871 141 HE1 TYR 20 1HE TYR 20 4.330 -14.417 -5.867 142 HE2 TYR 20 2HE TYR 20 6.362 -18.083 -6.966 143 HH TYR 20 HH TYR 20 3.279 -16.282 -6.580 144 H ASP 21 H ASP 21 7.745 -14.696 -3.258 145 HA ASP 21 HA ASP 21 9.646 -16.847 -2.407 146 HB2 ASP 21 1HB ASP 21 8.993 -14.874 -0.695 147 HB3 ASP 21 2HB ASP 21 7.656 -15.882 -0.369 148 H GLU 22 H GLU 22 8.714 -18.209 -3.937 149 HA GLU 22 HA GLU 22 5.997 -18.575 -4.433 150 HB2 GLU 22 1HB GLU 22 6.673 -20.798 -5.319 151 HB3 GLU 22 2HB GLU 22 7.483 -19.398 -5.996 152 HG2 GLU 22 1HG GLU 22 9.352 -20.283 -5.793 153 HG3 GLU 22 2HG GLU 22 9.245 -20.277 -4.026 154 H THR 23 H THR 23 7.753 -19.856 -1.777 155 HA THR 23 HA THR 23 6.037 -21.965 -0.899 156 HB THR 23 HB THR 23 8.059 -21.585 0.278 157 HG1 THR 23 1HG THR 23 6.647 -20.827 2.419 158 HG21 THR 23 3HG2 THR 23 8.278 -19.166 0.022 159 HG22 THR 23 1HG2 THR 23 8.496 -19.645 1.704 160 HG23 THR 23 2HG2 THR 23 6.979 -18.885 1.191 161 H SER 24 H SER 24 5.606 -18.354 -0.549 162 HA SER 24 HA SER 24 2.769 -19.001 0.204 163 HB2 SER 24 1HB SER 24 4.706 -17.163 1.625 164 HB3 SER 24 2HB SER 24 2.950 -17.193 1.890 165 HG SER 24 HG SER 24 4.855 -18.962 2.774 166 H GLY 25 H GLY 25 4.748 -17.148 -1.918 167 HA2 GLY 25 1HA GLY 25 3.757 -16.654 -3.933 168 HA3 GLY 25 2HA GLY 25 2.169 -16.586 -3.184 169 H TYR 26 H TYR 26 4.714 -14.667 -1.730 170 HA TYR 26 HA TYR 26 3.400 -12.173 -2.777 171 HB2 TYR 26 1HB TYR 26 4.463 -12.853 -0.040 172 HB3 TYR 26 2HB TYR 26 4.365 -11.251 -0.544 173 HD1 TYR 26 2HD TYR 26 2.152 -14.314 -0.574 174 HD2 TYR 26 1HD TYR 26 2.335 -10.024 -0.219 175 HE1 TYR 26 2HE TYR 26 -0.228 -14.286 0.014 176 HE2 TYR 26 1HE TYR 26 -0.077 -9.980 0.349 177 HH TYR 26 HH TYR 26 -2.037 -11.288 0.338 178 H TYR 27 H TYR 27 5.031 -10.254 -2.536 179 HA TYR 27 HA TYR 27 7.608 -11.114 -3.745 180 HB2 TYR 27 1HB TYR 27 5.771 -8.749 -4.312 181 HB3 TYR 27 2HB TYR 27 7.469 -8.750 -4.785 182 HD1 TYR 27 1HD TYR 27 4.323 -10.795 -5.202 183 HD2 TYR 27 2HD TYR 27 8.166 -9.759 -6.855 184 HE1 TYR 27 1HE TYR 27 3.829 -12.142 -7.253 185 HE2 TYR 27 2HE TYR 27 7.863 -11.364 -8.629 186 HH TYR 27 HH TYR 27 4.872 -13.258 -9.130 187 H TYR 28 H TYR 28 9.394 -10.571 -2.586 188 HA TYR 28 HA TYR 28 9.071 -8.937 -0.119 189 HB2 TYR 28 1HB TYR 28 10.117 -11.171 0.003 190 HB3 TYR 28 2HB TYR 28 11.335 -10.674 -1.159 191 HD1 TYR 28 1HD TYR 28 9.952 -9.522 2.139 192 HD2 TYR 28 2HD TYR 28 13.414 -9.976 -0.377 193 HE1 TYR 28 1HE TYR 28 11.422 -8.958 4.054 194 HE2 TYR 28 2HE TYR 28 14.880 -9.342 1.477 195 HH TYR 28 HH TYR 28 14.983 -8.796 3.714 196 H ASP 29 H ASP 29 10.172 -7.032 0.227 197 HA ASP 29 HA ASP 29 11.472 -5.716 -2.113 198 HB2 ASP 29 1HB ASP 29 9.649 -4.453 -1.307 199 HB3 ASP 29 2HB ASP 29 10.261 -4.440 0.344 200 HA PRO 30 HA PRO 30 15.072 -6.615 0.663 201 HB2 PRO 30 1HB PRO 30 17.001 -6.459 -1.301 202 HB3 PRO 30 2HB PRO 30 16.080 -7.947 -0.881 203 HG2 PRO 30 1HG PRO 30 15.576 -5.987 -3.126 204 HG3 PRO 30 2HG PRO 30 15.539 -7.781 -3.187 205 HD2 PRO 30 1HD PRO 30 13.295 -6.255 -2.977 206 HD3 PRO 30 2HD PRO 30 13.412 -7.835 -2.150 207 H GLN 31 H GLN 31 14.148 -3.879 -1.269 208 HA GLN 31 HA GLN 31 16.447 -2.256 -0.687 209 HB2 GLN 31 1HB GLN 31 14.317 -1.853 -2.303 210 HB3 GLN 31 2HB GLN 31 13.728 -0.962 -0.908 211 HG2 GLN 31 1HG GLN 31 16.274 -0.519 -2.524 212 HG3 GLN 31 2HG GLN 31 14.839 0.486 -2.534 213 HE21 GLN 31 1HE2 GLN 31 17.941 0.153 -1.212 214 HE22 GLN 31 2HE2 GLN 31 17.771 1.467 -0.054 215 H THR 32 H THR 32 13.579 -3.250 1.160 216 HA THR 32 HA THR 32 14.536 -1.619 3.476 217 HB THR 32 HB THR 32 12.113 -1.296 3.990 218 HG1 THR 32 1HG THR 32 11.558 -1.876 1.251 219 HG21 THR 32 3HG2 THR 32 13.572 0.494 2.999 220 HG22 THR 32 1HG2 THR 32 11.864 0.659 2.610 221 HG23 THR 32 2HG2 THR 32 12.994 0.035 1.387 222 H GLY 33 H GLY 33 12.628 -4.455 2.430 223 HA2 GLY 33 1HA GLY 33 13.049 -6.555 3.476 224 HA3 GLY 33 2HA GLY 33 13.181 -5.771 5.065 225 H LEU 34 H LEU 34 10.743 -4.740 2.805 226 HA LEU 34 HA LEU 34 8.525 -5.673 4.542 227 HB2 LEU 34 1HB LEU 34 8.690 -3.682 2.242 228 HB3 LEU 34 2HB LEU 34 7.236 -4.005 3.171 229 HG LEU 34 HG LEU 34 9.769 -3.002 4.558 230 HD11 LEU 34 1HD1 LEU 34 9.596 -0.981 3.738 231 HD12 LEU 34 2HD1 LEU 34 7.923 -0.827 4.223 232 HD13 LEU 34 3HD1 LEU 34 8.356 -1.497 2.610 233 HD21 LEU 34 3HD2 LEU 34 8.080 -3.914 6.018 234 HD22 LEU 34 1HD2 LEU 34 6.808 -2.941 5.246 235 HD23 LEU 34 2HD2 LEU 34 8.094 -2.170 6.223 236 H TYR 35 H TYR 35 6.459 -6.182 3.075 237 HA TYR 35 HA TYR 35 7.236 -7.827 0.713 238 HB2 TYR 35 1HB TYR 35 5.307 -8.433 2.956 239 HB3 TYR 35 2HB TYR 35 5.124 -9.176 1.374 240 HD1 TYR 35 2HD TYR 35 7.358 -8.917 4.335 241 HD2 TYR 35 1HD TYR 35 6.622 -10.886 0.574 242 HE1 TYR 35 2HE TYR 35 8.989 -10.668 4.944 243 HE2 TYR 35 1HE TYR 35 8.207 -12.650 1.159 244 HH TYR 35 HH TYR 35 10.184 -12.633 4.167 245 H TYR 36 H TYR 36 5.451 -8.064 -0.823 246 HA TYR 36 HA TYR 36 3.356 -5.989 -0.991 247 HB2 TYR 36 1HB TYR 36 5.412 -5.117 -2.054 248 HB3 TYR 36 2HB TYR 36 5.626 -6.612 -2.945 249 HD1 TYR 36 2HD TYR 36 3.609 -3.523 -2.670 250 HD2 TYR 36 1HD TYR 36 4.425 -7.044 -5.010 251 HE1 TYR 36 2HE TYR 36 2.442 -2.500 -4.608 252 HE2 TYR 36 1HE TYR 36 3.154 -6.063 -6.921 253 HH TYR 36 HH TYR 36 1.997 -4.235 -7.741 254 H ASP 37 H ASP 37 1.752 -6.597 -2.746 255 HA ASP 37 HA ASP 37 1.781 -9.489 -3.476 256 HB2 ASP 37 1HB ASP 37 0.284 -8.917 -1.547 257 HB3 ASP 37 2HB ASP 37 -0.458 -7.713 -2.584 258 HA PRO 38 HA PRO 38 1.309 -7.564 -7.461 259 HB2 PRO 38 1HB PRO 38 0.017 -9.590 -8.905 260 HB3 PRO 38 2HB PRO 38 1.767 -9.539 -8.537 261 HG2 PRO 38 1HG PRO 38 -0.443 -10.982 -7.055 262 HG3 PRO 38 2HG PRO 38 1.192 -11.609 -7.480 263 HD2 PRO 38 1HD PRO 38 0.646 -10.737 -5.024 264 HD3 PRO 38 2HD PRO 38 2.219 -10.380 -5.793 265 H ASN 39 H ASN 39 -1.682 -9.094 -6.110 266 HA ASN 39 HA ASN 39 -3.492 -7.457 -7.677 267 HB2 ASN 39 1HB ASN 39 -3.732 -9.399 -5.352 268 HB3 ASN 39 2HB ASN 39 -5.073 -8.450 -5.955 269 HD21 ASN 39 1HD2 ASN 39 -4.773 -11.419 -5.931 270 HD22 ASN 39 2HD2 ASN 39 -4.987 -11.891 -7.591 271 H SER 40 H SER 40 -2.017 -7.603 -4.443 272 HA SER 40 HA SER 40 -3.628 -5.232 -3.597 273 HB2 SER 40 1HB SER 40 -2.187 -7.163 -1.745 274 HB3 SER 40 2HB SER 40 -3.302 -5.879 -1.327 275 HG SER 40 HG SER 40 -4.922 -6.956 -2.345 276 H GLN 41 H GLN 41 -2.453 -3.509 -4.338 277 HA GLN 41 HA GLN 41 0.373 -3.255 -4.177 278 HB2 GLN 41 1HB GLN 41 -1.855 -1.232 -4.356 279 HB3 GLN 41 2HB GLN 41 -0.154 -0.763 -4.207 280 HG2 GLN 41 1HG GLN 41 -0.827 -0.738 -6.503 281 HG3 GLN 41 2HG GLN 41 0.452 -1.890 -6.228 282 HE21 GLN 41 1HE2 GLN 41 0.108 -4.000 -6.854 283 HE22 GLN 41 2HE2 GLN 41 -1.402 -4.697 -7.386 284 H TYR 42 H TYR 42 -1.950 -3.362 -1.700 285 HA TYR 42 HA TYR 42 -0.714 -1.815 0.367 286 HB2 TYR 42 1HB TYR 42 -2.515 -4.250 0.596 287 HB3 TYR 42 2HB TYR 42 -2.145 -3.081 1.862 288 HD1 TYR 42 2HD TYR 42 -2.556 -0.474 0.866 289 HD2 TYR 42 1HD TYR 42 -4.710 -4.044 -0.216 290 HE1 TYR 42 2HE TYR 42 -4.511 0.891 0.302 291 HE2 TYR 42 1HE TYR 42 -6.674 -2.687 -0.828 292 HH TYR 42 HH TYR 42 -7.643 -0.541 -0.800 293 H TYR 43 H TYR 43 1.265 -2.176 0.957 294 HA TYR 43 HA TYR 43 2.727 -4.678 0.671 295 HB2 TYR 43 1HB TYR 43 3.323 -2.033 2.060 296 HB3 TYR 43 2HB TYR 43 4.414 -3.383 2.076 297 HD1 TYR 43 2HD TYR 43 2.625 -1.244 -0.452 298 HD2 TYR 43 1HD TYR 43 6.208 -3.420 0.600 299 HE1 TYR 43 2HE TYR 43 3.699 -0.469 -2.528 300 HE2 TYR 43 1HE TYR 43 7.312 -2.572 -1.414 301 HH TYR 43 HH TYR 43 7.067 -0.782 -3.102 302 H TYR 44 H TYR 44 3.862 -5.537 2.572 303 HA TYR 44 HA TYR 44 2.274 -5.483 5.097 304 HB2 TYR 44 1HB TYR 44 1.780 -7.507 4.011 305 HB3 TYR 44 2HB TYR 44 3.433 -7.832 3.619 306 HD1 TYR 44 2HD TYR 44 1.102 -7.357 6.504 307 HD2 TYR 44 1HD TYR 44 4.790 -9.118 5.117 308 HE1 TYR 44 2HE TYR 44 1.289 -8.601 8.621 309 HE2 TYR 44 1HE TYR 44 5.009 -10.349 7.228 310 HH TYR 44 HH TYR 44 3.927 -10.986 9.163 311 H ASN 45 H ASN 45 3.260 -4.852 6.685 312 HA ASN 45 HA ASN 45 6.179 -4.431 6.897 313 HB2 ASN 45 1HB ASN 45 4.797 -2.548 7.416 314 HB3 ASN 45 2HB ASN 45 3.787 -3.504 8.507 315 HD21 ASN 45 1HD2 ASN 45 4.261 -2.339 10.390 316 HD22 ASN 45 2HD2 ASN 45 5.880 -2.209 11.053 317 H ALA 46 H ALA 46 6.723 -6.620 7.056 318 HA ALA 46 HA ALA 46 5.723 -8.527 8.860 319 HB1 ALA 46 1HB ALA 46 7.915 -9.604 8.721 320 HB2 ALA 46 2HB ALA 46 7.462 -8.985 7.120 321 HB3 ALA 46 3HB ALA 46 8.652 -8.113 8.124 322 H GLN 47 H GLN 47 7.993 -5.844 9.501 323 HA GLN 47 HA GLN 47 9.009 -6.412 11.912 324 HB2 GLN 47 1HB GLN 47 8.949 -4.246 10.225 325 HB3 GLN 47 2HB GLN 47 8.007 -3.613 11.584 326 HG2 GLN 47 1HG GLN 47 9.937 -4.414 13.067 327 HG3 GLN 47 2HG GLN 47 10.797 -4.750 11.542 328 HE21 GLN 47 1HE2 GLN 47 12.173 -3.064 10.979 329 HE22 GLN 47 2HE2 GLN 47 11.960 -1.383 11.423 330 H SER 48 H SER 48 5.899 -4.630 11.525 331 HA SER 48 HA SER 48 5.122 -5.442 14.289 332 HB2 SER 48 1HB SER 48 5.056 -2.854 12.912 333 HB3 SER 48 2HB SER 48 3.451 -3.311 13.460 334 HG SER 48 HG SER 48 4.217 -3.644 15.494 335 H GLN 49 H GLN 49 4.780 -6.858 11.587 336 HA GLN 49 HA GLN 49 3.245 -7.967 10.392 337 HB2 GLN 49 1HB GLN 49 1.960 -8.232 13.138 338 HB3 GLN 49 2HB GLN 49 1.532 -9.186 11.737 339 HG2 GLN 49 1HG GLN 49 4.372 -9.353 11.937 340 HG3 GLN 49 2HG GLN 49 3.772 -9.507 13.578 341 HE21 GLN 49 1HE2 GLN 49 5.169 -11.529 11.975 342 HE22 GLN 49 2HE2 GLN 49 4.051 -12.875 11.773 343 H GLN 50 H GLN 50 2.885 -5.179 10.191 344 HA GLN 50 HA GLN 50 -0.030 -4.721 10.164 345 HB2 GLN 50 1HB GLN 50 2.097 -3.277 11.326 346 HB3 GLN 50 2HB GLN 50 1.748 -2.383 9.855 347 HG2 GLN 50 1HG GLN 50 0.519 -1.614 11.877 348 HG3 GLN 50 2HG GLN 50 -0.539 -2.039 10.531 349 HE21 GLN 50 1HE2 GLN 50 1.018 -4.390 12.813 350 HE22 GLN 50 2HE2 GLN 50 -0.497 -5.038 13.320 351 H TYR 51 H TYR 51 -0.568 -2.909 8.354 352 HA TYR 51 HA TYR 51 0.611 -3.905 5.809 353 HB2 TYR 51 1HB TYR 51 -2.217 -3.229 6.583 354 HB3 TYR 51 2HB TYR 51 -1.675 -2.992 4.937 355 HD1 TYR 51 1HD TYR 51 -1.081 -5.792 7.422 356 HD2 TYR 51 2HD TYR 51 -2.560 -4.631 3.544 357 HE1 TYR 51 1HE TYR 51 -1.622 -8.132 6.947 358 HE2 TYR 51 2HE TYR 51 -3.130 -6.969 3.058 359 HH TYR 51 HH TYR 51 -3.256 -9.338 5.588 360 H LEU 52 H LEU 52 0.983 -2.308 4.195 361 HA LEU 52 HA LEU 52 0.909 0.524 5.041 362 HB2 LEU 52 1HB LEU 52 3.386 -0.894 4.037 363 HB3 LEU 52 2HB LEU 52 3.257 0.823 4.352 364 HG LEU 52 HG LEU 52 3.163 -1.385 6.442 365 HD11 LEU 52 1HD1 LEU 52 5.289 0.634 5.639 366 HD12 LEU 52 2HD1 LEU 52 5.361 -1.137 5.483 367 HD13 LEU 52 3HD1 LEU 52 5.392 -0.395 7.085 368 HD21 LEU 52 3HD2 LEU 52 3.571 0.490 8.085 369 HD22 LEU 52 1HD2 LEU 52 1.963 0.416 7.433 370 HD23 LEU 52 2HD2 LEU 52 3.118 1.631 6.806 371 H TYR 53 H TYR 53 1.763 1.857 3.014 372 HA TYR 53 HA TYR 53 1.462 0.509 0.475 373 HB2 TYR 53 1HB TYR 53 -0.016 2.050 -0.519 374 HB3 TYR 53 2HB TYR 53 -0.816 1.424 0.868 375 HD1 TYR 53 1HD TYR 53 -0.443 3.060 3.124 376 HD2 TYR 53 2HD TYR 53 -0.160 4.282 -1.001 377 HE1 TYR 53 1HE TYR 53 -1.079 5.328 3.770 378 HE2 TYR 53 2HE TYR 53 -0.867 6.544 -0.384 379 HH TYR 53 HH TYR 53 -1.737 7.873 1.285 380 H TRP 54 H TRP 54 2.741 1.521 -1.095 381 HA TRP 54 HA TRP 54 4.841 3.303 0.020 382 HB2 TRP 54 1HB TRP 54 5.807 1.468 -1.117 383 HB3 TRP 54 2HB TRP 54 4.715 1.582 -2.488 384 HD1 TRP 54 HD TRP 54 5.604 2.631 -4.549 385 HE1 TRP 54 1HE TRP 54 7.480 4.204 -5.170 386 HE3 TRP 54 3HE TRP 54 7.356 3.645 0.142 387 HZ2 TRP 54 2HZ TRP 54 9.234 6.069 -3.782 388 HZ3 TRP 54 3HZ TRP 54 9.204 5.246 0.457 389 HH2 TRP 54 HH TRP 54 10.122 6.517 -1.495 390 H ASP 55 H ASP 55 4.041 5.376 0.055 391 HA ASP 55 HA ASP 55 2.208 6.221 -2.083 392 HB2 ASP 55 1HB ASP 55 1.714 6.684 0.311 393 HB3 ASP 55 2HB ASP 55 3.102 7.770 0.370 394 H GLY 56 H GLY 56 3.753 6.166 -3.792 395 HA2 GLY 56 1HA GLY 56 6.230 7.450 -3.843 396 HA3 GLY 56 2HA GLY 56 5.192 7.161 -5.244 397 H GLU 57 H GLU 57 3.069 8.993 -3.586 398 HA GLU 57 HA GLU 57 3.885 11.483 -4.934 399 HB2 GLU 57 1HB GLU 57 1.690 11.012 -2.869 400 HB3 GLU 57 2HB GLU 57 1.996 12.503 -3.758 401 HG2 GLU 57 1HG GLU 57 1.743 10.992 -5.902 402 HG3 GLU 57 2HG GLU 57 0.895 9.898 -4.803 403 H ARG 58 H ARG 58 4.375 10.027 -1.795 404 HA ARG 58 HA ARG 58 5.648 12.544 -0.777 405 HB2 ARG 58 1HB ARG 58 4.215 10.263 0.636 406 HB3 ARG 58 2HB ARG 58 5.095 11.562 1.469 407 HG2 ARG 58 1HG ARG 58 3.615 13.243 0.500 408 HG3 ARG 58 2HG ARG 58 2.728 12.019 -0.413 409 HD2 ARG 58 1HD ARG 58 1.487 11.407 1.286 410 HD3 ARG 58 2HD ARG 58 2.858 11.220 2.386 411 HE ARG 58 HE ARG 58 2.514 13.950 2.267 412 HH11 ARG 58 1HH1 ARG 58 0.249 11.271 2.859 413 HH12 ARG 58 2HH1 ARG 58 -0.732 12.194 3.964 414 HH21 ARG 58 1HH2 ARG 58 1.192 15.120 3.720 415 HH22 ARG 58 2HH2 ARG 58 -0.287 14.427 4.298 416 H ARG 59 H ARG 59 6.275 9.544 -2.000 417 HA ARG 59 HA ARG 59 7.902 8.008 -1.934 418 HB2 ARG 59 1HB ARG 59 9.773 10.332 -1.340 419 HB3 ARG 59 2HB ARG 59 10.221 8.733 -1.922 420 HG2 ARG 59 1HG ARG 59 10.248 9.919 -3.869 421 HG3 ARG 59 2HG ARG 59 8.625 9.213 -3.939 422 HD2 ARG 59 1HD ARG 59 7.593 11.292 -3.395 423 HD3 ARG 59 2HD ARG 59 9.101 11.937 -2.714 424 HE ARG 59 HE ARG 59 9.027 11.255 -5.580 425 HH11 ARG 59 1HH1 ARG 59 8.693 13.919 -3.285 426 HH12 ARG 59 2HH1 ARG 59 9.530 15.094 -4.238 427 HH21 ARG 59 1HH2 ARG 59 9.990 12.836 -6.965 428 HH22 ARG 59 2HH2 ARG 59 10.273 14.441 -6.368 429 H THR 60 H THR 60 6.489 7.576 0.171 430 HA THR 60 HA THR 60 8.465 6.777 2.101 431 HB THR 60 HB THR 60 7.829 9.122 2.740 432 HG1 THR 60 1HG THR 60 7.828 8.732 4.788 433 HG21 THR 60 3HG2 THR 60 5.454 9.097 2.155 434 HG22 THR 60 1HG2 THR 60 5.699 9.554 3.847 435 HG23 THR 60 2HG2 THR 60 5.132 7.919 3.425 436 H TYR 61 H TYR 61 7.616 5.139 3.535 437 HA TYR 61 HA TYR 61 5.356 3.598 2.365 438 HB2 TYR 61 1HB TYR 61 7.499 2.832 4.405 439 HB3 TYR 61 2HB TYR 61 6.271 1.769 3.755 440 HD1 TYR 61 2HD TYR 61 9.443 3.615 2.905 441 HD2 TYR 61 1HD TYR 61 6.637 0.578 1.704 442 HE1 TYR 61 2HE TYR 61 11.082 2.690 1.287 443 HE2 TYR 61 1HE TYR 61 8.271 -0.381 0.171 444 HH TYR 61 HH TYR 61 10.761 -0.454 -0.279 445 H VAL 62 H VAL 62 3.445 3.936 3.335 446 HA VAL 62 HA VAL 62 3.364 4.906 6.150 447 HB VAL 62 HB VAL 62 1.202 6.076 5.022 448 HG11 VAL 62 1HG1 VAL 62 2.574 8.166 4.883 449 HG12 VAL 62 2HG1 VAL 62 2.767 7.262 6.398 450 HG13 VAL 62 3HG1 VAL 62 4.032 7.164 5.161 451 HG21 VAL 62 3HG2 VAL 62 3.265 6.373 2.807 452 HG22 VAL 62 1HG2 VAL 62 1.821 5.349 2.695 453 HG23 VAL 62 2HG2 VAL 62 1.654 7.096 2.907 454 HA PRO 63 HA PRO 63 0.520 1.661 6.771 455 HB2 PRO 63 1HB PRO 63 -1.250 2.600 8.647 456 HB3 PRO 63 2HB PRO 63 0.459 2.190 9.002 457 HG2 PRO 63 1HG PRO 63 -0.712 4.920 8.412 458 HG3 PRO 63 2HG PRO 63 0.410 4.451 9.717 459 HD2 PRO 63 1HD PRO 63 1.311 5.593 7.427 460 HD3 PRO 63 2HD PRO 63 2.249 4.313 8.245 461 H ALA 64 H ALA 64 -1.079 0.856 5.589 462 HA ALA 64 HA ALA 64 -2.928 2.742 4.246 463 HB1 ALA 64 1HB ALA 64 -2.366 -0.187 3.626 464 HB2 ALA 64 2HB ALA 64 -3.301 0.962 2.636 465 HB3 ALA 64 3HB ALA 64 -1.567 1.200 2.856 466 H LEU 65 H LEU 65 -3.035 1.606 6.974 467 HA LEU 65 HA LEU 65 -5.552 0.167 7.223 468 HB2 LEU 65 1HB LEU 65 -3.631 1.569 9.150 469 HB3 LEU 65 2HB LEU 65 -5.233 1.075 9.653 470 HG LEU 65 HG LEU 65 -4.667 -1.258 8.720 471 HD11 LEU 65 1HD1 LEU 65 -2.292 -1.915 8.846 472 HD12 LEU 65 2HD1 LEU 65 -1.825 -0.200 8.975 473 HD13 LEU 65 3HD1 LEU 65 -2.618 -0.830 7.507 474 HD21 LEU 65 3HD2 LEU 65 -3.662 -1.960 10.825 475 HD22 LEU 65 1HD2 LEU 65 -4.877 -0.715 11.125 476 HD23 LEU 65 2HD2 LEU 65 -3.149 -0.289 11.180 477 H GLU 66 H GLU 66 -7.426 1.157 6.840 478 HA GLU 66 HA GLU 66 -9.169 2.499 7.139 479 HB2 GLU 66 1HB GLU 66 -8.231 2.668 9.405 480 HB3 GLU 66 2HB GLU 66 -7.375 4.149 8.958 481 HG2 GLU 66 1HG GLU 66 -9.502 5.271 8.454 482 HG3 GLU 66 2HG GLU 66 -10.386 3.805 8.884 483 H GLN 67 H GLN 67 -6.395 4.732 6.878 484 HA GLN 67 HA GLN 67 -6.154 6.737 5.860 485 HB2 GLN 67 1HB GLN 67 -5.927 6.546 3.525 486 HB3 GLN 67 2HB GLN 67 -5.396 5.062 4.278 487 HG2 GLN 67 1HG GLN 67 -7.294 3.829 3.505 488 HG3 GLN 67 2HG GLN 67 -8.200 5.290 3.112 489 HE21 GLN 67 1HE2 GLN 67 -6.464 2.815 1.696 490 HE22 GLN 67 2HE2 GLN 67 -6.087 3.595 0.184 491 H SER 68 H SER 68 -8.688 6.741 7.084 492 HA SER 68 HA SER 68 -10.312 8.239 7.420 493 HB2 SER 68 1HB SER 68 -9.571 9.608 4.818 494 HB3 SER 68 2HB SER 68 -10.401 10.292 6.207 495 HG SER 68 HG SER 68 -7.856 10.312 5.725 496 H ALA 69 H ALA 69 -10.332 6.377 4.671 497 HA ALA 69 HA ALA 69 -12.891 7.213 3.543 498 HB1 ALA 69 1HB ALA 69 -11.114 6.396 2.108 499 HB2 ALA 69 2HB ALA 69 -11.123 4.830 2.938 500 HB3 ALA 69 3HB ALA 69 -12.534 5.337 1.979 501 H ASP 70 H ASP 70 -14.438 6.964 5.158 502 HA ASP 70 HA ASP 70 -16.272 6.074 5.941 503 HB2 ASP 70 1HB ASP 70 -16.524 5.106 3.807 504 HB3 ASP 70 2HB ASP 70 -15.462 3.756 4.202 505 H GLY 71 H GLY 71 -13.542 3.791 6.472 506 HA2 GLY 71 1HA GLY 71 -13.442 4.224 9.135 507 HA3 GLY 71 2HA GLY 71 -14.590 2.866 9.003 508 H HIS 72 H HIS 72 -12.566 2.027 10.310 509 HA HIS 72 HA HIS 72 -10.320 1.193 8.678 510 HB2 HIS 72 1HB HIS 72 -9.914 -0.330 10.725 511 HB3 HIS 72 2HB HIS 72 -9.652 1.408 10.719 512 HD1 HIS 72 1HD HIS 72 -12.133 -1.131 12.205 513 HD2 HIS 72 2HD HIS 72 -11.145 2.936 12.080 514 HE1 HIS 72 1HE HIS 72 -13.412 -0.040 14.156 515 H LYS 73 H LYS 73 -13.406 -0.121 9.663 516 HA LYS 73 HA LYS 73 -14.516 -2.058 9.195 517 HB2 LYS 73 1HB LYS 73 -12.754 -2.272 6.734 518 HB3 LYS 73 2HB LYS 73 -14.417 -2.809 6.924 519 HG2 LYS 73 1HG LYS 73 -13.438 0.085 6.885 520 HG3 LYS 73 2HG LYS 73 -14.264 -0.767 5.572 521 HD2 LYS 73 1HD LYS 73 -16.249 -1.099 7.039 522 HD3 LYS 73 2HD LYS 73 -15.447 -0.126 8.296 523 HE2 LYS 73 1HE LYS 73 -15.369 1.806 6.788 524 HE3 LYS 73 2HE LYS 73 -16.147 0.851 5.508 525 HZ1 LYS 73 3HZ LYS 73 -17.359 1.542 8.126 526 HZ2 LYS 73 1HZ LYS 73 -18.061 0.593 6.936 527 HZ3 LYS 73 2HZ LYS 73 -17.749 2.170 6.657 528 H GLU 74 H GLU 74 -13.418 -4.372 7.743 529 HA GLU 74 HA GLU 74 -12.126 -5.808 9.923 530 HB2 GLU 74 1HB GLU 74 -12.547 -6.498 6.990 531 HB3 GLU 74 2HB GLU 74 -11.800 -7.529 8.209 532 HG2 GLU 74 1HG GLU 74 -14.335 -6.653 9.266 533 HG3 GLU 74 2HG GLU 74 -14.618 -7.152 7.607 534 H THR 75 H THR 75 -10.026 -6.747 9.642 535 HA THR 75 HA THR 75 -7.871 -5.110 9.463 536 HB THR 75 HB THR 75 -7.578 -7.988 8.756 537 HG1 THR 75 1HG THR 75 -9.166 -8.531 10.015 538 HG21 THR 75 3HG2 THR 75 -6.604 -6.478 11.246 539 HG22 THR 75 1HG2 THR 75 -5.686 -6.629 9.739 540 HG23 THR 75 2HG2 THR 75 -6.068 -8.077 10.687 541 H GLY 76 H GLY 76 -9.501 -5.799 6.690 542 HA2 GLY 76 1HA GLY 76 -7.118 -5.919 4.976 543 HA3 GLY 76 2HA GLY 76 -8.359 -7.171 4.807 544 H ALA 77 H ALA 77 -10.447 -6.536 4.054 545 HA ALA 77 HA ALA 77 -12.002 -5.400 2.887 546 HB1 ALA 77 1HB ALA 77 -12.431 -4.839 5.208 547 HB2 ALA 77 2HB ALA 77 -11.475 -3.354 5.028 548 HB3 ALA 77 3HB ALA 77 -12.969 -3.573 4.096 549 HA PRO 78 HA PRO 78 -8.630 -3.220 0.730 550 HB2 PRO 78 1HB PRO 78 -9.000 -4.169 -1.860 551 HB3 PRO 78 2HB PRO 78 -8.191 -5.054 -0.533 552 HG2 PRO 78 1HG PRO 78 -11.082 -5.284 -1.415 553 HG3 PRO 78 2HG PRO 78 -9.909 -6.605 -1.118 554 HD2 PRO 78 1HD PRO 78 -11.680 -5.875 0.797 555 HD3 PRO 78 2HD PRO 78 -9.983 -6.274 1.226 556 H SER 79 H SER 79 -11.970 -2.779 -0.056 557 HA SER 79 HA SER 79 -13.184 -1.284 -1.187 558 HB2 SER 79 1HB SER 79 -12.543 1.127 -0.274 559 HB3 SER 79 2HB SER 79 -13.224 -0.146 0.725 560 HG SER 79 HG SER 79 -10.491 0.600 0.498 561 H LYS 80 H LYS 80 -10.830 -1.954 -2.890 562 HA LYS 80 HA LYS 80 -11.250 0.276 -4.824 563 HB2 LYS 80 1HB LYS 80 -8.619 -0.772 -3.759 564 HB3 LYS 80 2HB LYS 80 -8.734 -0.150 -5.402 565 HG2 LYS 80 1HG LYS 80 -9.612 1.982 -4.638 566 HG3 LYS 80 2HG LYS 80 -9.514 1.435 -2.957 567 HD2 LYS 80 1HD LYS 80 -7.636 2.880 -3.564 568 HD3 LYS 80 2HD LYS 80 -7.088 1.274 -3.093 569 HE2 LYS 80 1HE LYS 80 -7.527 1.783 -6.035 570 HE3 LYS 80 2HE LYS 80 -6.171 2.598 -5.253 571 HZ1 LYS 80 3HZ LYS 80 -6.549 -0.328 -5.424 572 HZ2 LYS 80 1HZ LYS 80 -5.422 0.407 -4.452 573 HZ3 LYS 80 2HZ LYS 80 -5.338 0.565 -6.042 574 H GLU 81 H GLU 81 -12.401 -2.464 -4.475 575 HA GLU 81 HA GLU 81 -12.110 -3.211 -7.252 576 HB2 GLU 81 1HB GLU 81 -11.414 -5.455 -7.053 577 HB3 GLU 81 2HB GLU 81 -10.156 -4.390 -6.445 578 HG2 GLU 81 1HG GLU 81 -10.575 -5.011 -4.155 579 HG3 GLU 81 2HG GLU 81 -12.067 -5.854 -4.575 580 H GLY 82 H GLY 82 -14.287 -2.296 -5.532 581 HA2 GLY 82 1HA GLY 82 -16.391 -3.548 -6.571 582 HA3 GLY 82 2HA GLY 82 -16.088 -4.617 -5.199 583 H LYS 83 H LYS 83 -16.176 -3.699 -3.027 584 HA LYS 83 HA LYS 83 -18.312 -1.707 -2.889 585 HB2 LYS 83 1HB LYS 83 -18.092 -4.182 -1.764 586 HB3 LYS 83 2HB LYS 83 -17.516 -3.200 -0.416 587 HG2 LYS 83 1HG LYS 83 -19.583 -1.891 -0.438 588 HG3 LYS 83 2HG LYS 83 -20.068 -2.603 -1.989 589 HD2 LYS 83 1HD LYS 83 -20.319 -4.805 -0.972 590 HD3 LYS 83 2HD LYS 83 -19.876 -4.135 0.621 591 HE2 LYS 83 1HE LYS 83 -21.803 -2.683 0.653 592 HE3 LYS 83 2HE LYS 83 -22.104 -2.938 -1.069 593 HZ1 LYS 83 3HZ LYS 83 -22.666 -5.233 -0.582 594 HZ2 LYS 83 1HZ LYS 83 -23.664 -4.178 0.155 595 HZ3 LYS 83 2HZ LYS 83 -22.506 -4.987 1.034 596 H GLU 84 H GLU 84 -16.336 -0.477 -3.682 597 HA GLU 84 HA GLU 84 -14.461 0.686 -1.924 598 HB2 GLU 84 1HB GLU 84 -14.550 2.579 -3.639 599 HB3 GLU 84 2HB GLU 84 -14.188 0.959 -4.255 600 HG2 GLU 84 1HG GLU 84 -16.393 0.691 -5.153 601 HG3 GLU 84 2HG GLU 84 -17.018 2.117 -4.376 602 H LYS 85 H LYS 85 -17.673 1.824 -2.835 603 HA LYS 85 HA LYS 85 -18.360 2.880 -0.217 604 HB2 LYS 85 1HB LYS 85 -18.809 5.177 -1.054 605 HB3 LYS 85 2HB LYS 85 -17.108 4.778 -0.963 606 HG2 LYS 85 1HG LYS 85 -16.976 4.446 -3.394 607 HG3 LYS 85 2HG LYS 85 -18.728 4.667 -3.555 608 HD2 LYS 85 1HD LYS 85 -18.516 6.981 -2.689 609 HD3 LYS 85 2HD LYS 85 -16.757 6.758 -2.533 610 HE2 LYS 85 1HE LYS 85 -16.521 6.441 -4.931 611 HE3 LYS 85 2HE LYS 85 -18.264 6.387 -5.158 612 HZ1 LYS 85 3HZ LYS 85 -17.262 8.554 -5.725 613 HZ2 LYS 85 1HZ LYS 85 -16.812 8.765 -4.160 614 HZ3 LYS 85 2HZ LYS 85 -18.418 8.690 -4.586 615 H LYS 86 H LYS 86 -19.339 0.765 -1.936 616 HA LYS 86 HA LYS 86 -21.686 1.883 -3.378 617 HB2 LYS 86 1HB LYS 86 -20.358 -0.827 -3.366 618 HB3 LYS 86 2HB LYS 86 -21.938 -0.566 -4.080 619 HG2 LYS 86 1HG LYS 86 -19.500 1.093 -4.927 620 HG3 LYS 86 2HG LYS 86 -19.897 -0.483 -5.617 621 HD2 LYS 86 1HD LYS 86 -20.962 0.790 -7.148 622 HD3 LYS 86 2HD LYS 86 -22.290 0.597 -6.007 623 HE2 LYS 86 1HE LYS 86 -21.490 2.852 -4.984 624 HE3 LYS 86 2HE LYS 86 -20.461 3.001 -6.416 625 HZ1 LYS 86 3HZ LYS 86 -22.487 2.828 -7.762 626 HZ2 LYS 86 1HZ LYS 86 -22.600 4.107 -6.726 627 HZ3 LYS 86 2HZ LYS 86 -23.408 2.721 -6.404 628 H GLU 87 H GLU 87 -23.162 2.436 -1.969 629 HA GLU 87 HA GLU 87 -24.144 0.472 0.010 630 HB2 GLU 87 1HB GLU 87 -22.170 2.145 0.816 631 HB3 GLU 87 2HB GLU 87 -23.544 3.203 1.119 632 HG2 GLU 87 1HG GLU 87 -23.262 0.366 2.196 633 HG3 GLU 87 2HG GLU 87 -22.739 1.805 3.058 634 H LYS 88 H LYS 88 -24.574 3.600 -1.665 635 HA LYS 88 HA LYS 88 -27.508 3.369 -1.233 636 HB2 LYS 88 1HB LYS 88 -25.682 5.601 -0.546 637 HB3 LYS 88 2HB LYS 88 -26.937 6.109 -1.638 638 HG2 LYS 88 1HG LYS 88 -28.045 6.465 0.308 639 HG3 LYS 88 2HG LYS 88 -28.572 4.809 0.018 640 HD2 LYS 88 1HD LYS 88 -26.630 4.063 1.531 641 HD3 LYS 88 2HD LYS 88 -26.343 5.798 1.829 642 HE2 LYS 88 1HE LYS 88 -28.842 5.905 2.506 643 HE3 LYS 88 2HE LYS 88 -28.781 4.130 2.570 644 HZ1 LYS 88 3HZ LYS 88 -27.040 5.960 4.116 645 HZ2 LYS 88 1HZ LYS 88 -27.086 4.327 4.294 646 HZ3 LYS 88 2HZ LYS 88 -28.369 5.279 4.715 647 H HIS 89 H HIS 89 -28.440 5.267 -2.908 648 HA HIS 89 HA HIS 89 -29.243 5.417 -4.947 649 HB2 HIS 89 1HB HIS 89 -26.317 5.758 -5.404 650 HB3 HIS 89 2HB HIS 89 -27.355 5.539 -6.814 651 HD1 HIS 89 1HD HIS 89 -27.004 8.058 -3.855 652 HD2 HIS 89 2HD HIS 89 -29.122 7.354 -7.436 653 HE1 HIS 89 1HE HIS 89 -28.349 10.146 -4.298 654 H LYS 90 H LYS 90 -30.531 3.934 -5.532 655 HA LYS 90 HA LYS 90 -29.627 1.775 -7.177 656 HB2 LYS 90 1HB LYS 90 -30.979 0.048 -6.012 657 HB3 LYS 90 2HB LYS 90 -29.440 0.458 -5.271 658 HG2 LYS 90 1HG LYS 90 -32.124 1.477 -4.226 659 HG3 LYS 90 2HG LYS 90 -31.365 -0.028 -3.749 660 HD2 LYS 90 1HD LYS 90 -29.274 1.500 -3.154 661 HD3 LYS 90 2HD LYS 90 -30.479 2.795 -3.166 662 HE2 LYS 90 1HE LYS 90 -30.341 2.037 -0.908 663 HE3 LYS 90 2HE LYS 90 -31.875 1.431 -1.560 664 HZ1 LYS 90 3HZ LYS 90 -30.747 -0.726 -1.913 665 HZ2 LYS 90 1HZ LYS 90 -30.642 -0.258 -0.306 666 HZ3 LYS 90 2HZ LYS 90 -29.363 -0.141 -1.274 667 H THR 91 H THR 91 -30.734 2.251 -8.883 668 HA THR 91 HA THR 91 -32.325 2.991 -10.287 669 HB THR 91 HB THR 91 -34.097 1.352 -8.436 670 HG1 THR 91 1HG THR 91 -33.238 -0.393 -9.513 671 HG21 THR 91 3HG2 THR 91 -35.374 2.366 -10.318 672 HG22 THR 91 1HG2 THR 91 -35.186 0.629 -10.545 673 HG23 THR 91 2HG2 THR 91 -34.164 1.752 -11.469 674 H LYS 92 H LYS 92 -31.899 5.089 -9.379 675 HA LYS 92 HA LYS 92 -32.171 7.149 -8.449 676 HB2 LYS 92 1HB LYS 92 -34.369 5.856 -6.781 677 HB3 LYS 92 2HB LYS 92 -33.432 7.221 -6.237 678 HG2 LYS 92 1HG LYS 92 -35.396 8.163 -7.105 679 HG3 LYS 92 2HG LYS 92 -34.072 8.572 -8.189 680 HD2 LYS 92 1HD LYS 92 -35.976 8.066 -9.544 681 HD3 LYS 92 2HD LYS 92 -34.832 6.738 -9.733 682 HE2 LYS 92 1HE LYS 92 -36.239 5.722 -7.680 683 HE3 LYS 92 2HE LYS 92 -37.488 6.837 -8.267 684 HZ1 LYS 92 3HZ LYS 92 -37.160 5.692 -10.471 685 HZ2 LYS 92 1HZ LYS 92 -37.722 4.691 -9.273 686 HZ3 LYS 92 2HZ LYS 92 -36.136 4.642 -9.671 Start of MODEL 11 1 H1 GLY 1 H GLY 1 18.101 11.543 -9.555 2 HA2 GLY 1 1HA GLY 1 20.975 10.825 -9.308 3 HA3 GLY 1 2HA GLY 1 20.273 11.635 -10.723 4 H HIS 2 H HIS 2 21.754 13.474 -10.342 5 HA HIS 2 HA HIS 2 22.516 15.366 -9.423 6 HB2 HIS 2 1HB HIS 2 20.177 15.904 -10.302 7 HB3 HIS 2 2HB HIS 2 19.644 15.925 -8.624 8 HD1 HIS 2 1HD HIS 2 21.819 17.602 -7.242 9 HD2 HIS 2 2HD HIS 2 20.438 18.326 -11.151 10 HE1 HIS 2 1HE HIS 2 22.498 20.041 -7.824 11 H MET 3 H MET 3 22.958 13.225 -7.715 12 HA MET 3 HA MET 3 23.514 12.595 -5.642 13 HB2 MET 3 1HB MET 3 23.717 15.606 -5.276 14 HB3 MET 3 2HB MET 3 24.170 14.467 -4.031 15 HG2 MET 3 1HG MET 3 26.162 14.976 -5.149 16 HG3 MET 3 2HG MET 3 25.727 13.340 -5.586 17 HE1 MET 3 3HE MET 3 26.438 16.943 -6.727 18 HE2 MET 3 1HE MET 3 25.745 17.056 -8.352 19 HE3 MET 3 2HE MET 3 24.674 16.965 -6.943 20 H GLN 4 H GLN 4 20.466 13.557 -6.100 21 HA GLN 4 HA GLN 4 19.337 14.522 -3.885 22 HB2 GLN 4 1HB GLN 4 18.171 14.135 -5.966 23 HB3 GLN 4 2HB GLN 4 18.296 12.386 -5.744 24 HG2 GLN 4 1HG GLN 4 16.778 12.487 -3.803 25 HG3 GLN 4 2HG GLN 4 16.754 14.257 -3.910 26 HE21 GLN 4 1HE2 GLN 4 16.502 11.681 -6.447 27 HE22 GLN 4 2HE2 GLN 4 15.068 12.366 -7.191 28 H GLU 5 H GLU 5 19.612 14.026 -1.864 29 HA GLU 5 HA GLU 5 20.281 11.522 -0.824 30 HB2 GLU 5 1HB GLU 5 20.154 12.566 1.323 31 HB3 GLU 5 2HB GLU 5 21.028 13.573 0.153 32 HG2 GLU 5 1HG GLU 5 19.032 14.923 -0.230 33 HG3 GLU 5 2HG GLU 5 18.096 13.885 0.843 34 H SER 6 H SER 6 17.171 12.684 -1.659 35 HA SER 6 HA SER 6 15.032 11.972 -1.253 36 HB2 SER 6 1HB SER 6 16.617 9.405 -0.990 37 HB3 SER 6 2HB SER 6 14.850 9.467 -1.189 38 HG SER 6 HG SER 6 16.119 9.213 -3.154 39 H TYR 7 H TYR 7 15.918 13.269 0.973 40 HA TYR 7 HA TYR 7 15.810 11.675 3.377 41 HB2 TYR 7 1HB TYR 7 16.250 13.691 4.502 42 HB3 TYR 7 2HB TYR 7 17.177 13.741 3.023 43 HD1 TYR 7 1HD TYR 7 16.231 15.266 1.075 44 HD2 TYR 7 2HD TYR 7 14.950 15.461 5.186 45 HE1 TYR 7 1HE TYR 7 15.363 17.538 0.694 46 HE2 TYR 7 2HE TYR 7 14.145 17.734 4.845 47 HH TYR 7 HH TYR 7 14.783 19.534 1.866 48 H SER 8 H SER 8 13.402 12.779 1.413 49 HA SER 8 HA SER 8 11.483 13.889 3.234 50 HB2 SER 8 1HB SER 8 11.338 12.877 0.366 51 HB3 SER 8 2HB SER 8 10.117 13.918 1.147 52 HG SER 8 HG SER 8 11.884 15.405 1.528 53 H GLN 9 H GLN 9 10.743 12.518 4.796 54 HA GLN 9 HA GLN 9 9.844 10.917 5.935 55 HB2 GLN 9 1HB GLN 9 8.130 10.989 3.490 56 HB3 GLN 9 2HB GLN 9 7.876 9.668 4.615 57 HG2 GLN 9 1HG GLN 9 6.820 10.930 6.094 58 HG3 GLN 9 2HG GLN 9 8.079 12.147 6.136 59 HE21 GLN 9 1HE2 GLN 9 8.078 13.517 3.932 60 HE22 GLN 9 2HE2 GLN 9 6.515 14.098 3.395 61 H TYR 10 H TYR 10 10.254 9.276 2.719 62 HA TYR 10 HA TYR 10 11.929 7.285 4.159 63 HB2 TYR 10 1HB TYR 10 9.662 6.748 2.222 64 HB3 TYR 10 2HB TYR 10 10.967 5.604 2.459 65 HD1 TYR 10 2HD TYR 10 8.161 7.346 4.182 66 HD2 TYR 10 1HD TYR 10 11.105 4.213 4.387 67 HE1 TYR 10 2HE TYR 10 7.034 6.442 6.189 68 HE2 TYR 10 1HE TYR 10 9.989 3.280 6.383 69 HH TYR 10 HH TYR 10 7.110 4.835 7.879 70 HA PRO 11 HA PRO 11 14.513 7.910 0.465 71 HB2 PRO 11 1HB PRO 11 15.708 5.435 0.312 72 HB3 PRO 11 2HB PRO 11 16.197 6.704 1.484 73 HG2 PRO 11 1HG PRO 11 14.345 4.345 1.932 74 HG3 PRO 11 2HG PRO 11 15.719 4.886 2.954 75 HD2 PRO 11 1HD PRO 11 13.155 5.567 3.522 76 HD3 PRO 11 2HD PRO 11 14.493 6.726 3.785 77 H VAL 12 H VAL 12 14.698 6.676 -1.699 78 HA VAL 12 HA VAL 12 11.967 5.809 -2.462 79 HB VAL 12 HB VAL 12 14.167 7.132 -4.087 80 HG11 VAL 12 1HG1 VAL 12 12.737 5.694 -5.502 81 HG12 VAL 12 2HG1 VAL 12 11.287 6.487 -4.855 82 HG13 VAL 12 3HG1 VAL 12 12.470 7.406 -5.822 83 HG21 VAL 12 3HG2 VAL 12 12.705 9.104 -4.110 84 HG22 VAL 12 1HG2 VAL 12 11.541 8.278 -3.048 85 HG23 VAL 12 2HG2 VAL 12 13.150 8.699 -2.451 86 HA PRO 13 HA PRO 13 14.663 2.099 -2.421 87 HB2 PRO 13 1HB PRO 13 12.813 0.138 -2.107 88 HB3 PRO 13 2HB PRO 13 13.193 1.269 -0.775 89 HG2 PRO 13 1HG PRO 13 10.935 1.523 -2.810 90 HG3 PRO 13 2HG PRO 13 10.795 1.543 -1.024 91 HD2 PRO 13 1HD PRO 13 10.967 3.855 -2.389 92 HD3 PRO 13 2HD PRO 13 11.871 3.627 -0.859 93 H ASP 14 H ASP 14 14.708 -0.050 -3.790 94 HA ASP 14 HA ASP 14 13.388 0.291 -6.397 95 HB2 ASP 14 1HB ASP 14 15.598 1.645 -6.281 96 HB3 ASP 14 2HB ASP 14 16.397 0.074 -6.380 97 H VAL 15 H VAL 15 12.699 -1.622 -7.033 98 HA VAL 15 HA VAL 15 13.208 -3.998 -5.675 99 HB VAL 15 HB VAL 15 11.164 -3.454 -6.915 100 HG11 VAL 15 1HG1 VAL 15 12.777 -3.869 -9.448 101 HG12 VAL 15 2HG1 VAL 15 11.021 -3.625 -9.342 102 HG13 VAL 15 3HG1 VAL 15 12.116 -2.328 -8.869 103 HG21 VAL 15 3HG2 VAL 15 12.428 -6.030 -7.877 104 HG22 VAL 15 1HG2 VAL 15 11.455 -5.762 -6.413 105 HG23 VAL 15 2HG2 VAL 15 10.716 -5.598 -8.004 106 H SER 16 H SER 16 15.301 -2.572 -8.250 107 HA SER 16 HA SER 16 16.380 -4.853 -9.285 108 HB2 SER 16 1HB SER 16 17.992 -3.060 -9.902 109 HB3 SER 16 2HB SER 16 16.336 -2.702 -10.306 110 HG SER 16 HG SER 16 16.280 -1.148 -8.858 111 H THR 17 H THR 17 16.756 -3.525 -6.080 112 HA THR 17 HA THR 17 19.170 -5.226 -5.665 113 HB THR 17 HB THR 17 19.712 -2.872 -5.624 114 HG1 THR 17 1HG THR 17 20.893 -4.093 -4.274 115 HG21 THR 17 3HG2 THR 17 17.701 -1.761 -4.964 116 HG22 THR 17 1HG2 THR 17 18.947 -1.397 -3.785 117 HG23 THR 17 2HG2 THR 17 17.680 -2.586 -3.380 118 H TYR 18 H TYR 18 15.973 -5.496 -5.352 119 HA TYR 18 HA TYR 18 15.763 -6.432 -2.587 120 HB2 TYR 18 1HB TYR 18 14.006 -6.747 -5.049 121 HB3 TYR 18 2HB TYR 18 13.655 -7.497 -3.529 122 HD1 TYR 18 2HD TYR 18 15.088 -4.415 -2.547 123 HD2 TYR 18 1HD TYR 18 11.510 -6.124 -4.261 124 HE1 TYR 18 2HE TYR 18 13.845 -2.435 -1.895 125 HE2 TYR 18 1HE TYR 18 10.280 -4.069 -3.747 126 HH TYR 18 HH TYR 18 11.402 -1.835 -1.446 127 H GLN 19 H GLN 19 15.328 -8.583 -2.109 128 HA GLN 19 HA GLN 19 16.861 -10.622 -3.695 129 HB2 GLN 19 1HB GLN 19 16.022 -10.481 -0.766 130 HB3 GLN 19 2HB GLN 19 16.466 -11.990 -1.548 131 HG2 GLN 19 1HG GLN 19 18.607 -10.583 -2.346 132 HG3 GLN 19 2HG GLN 19 18.172 -9.577 -0.962 133 HE21 GLN 19 1HE2 GLN 19 19.446 -10.142 0.741 134 HE22 GLN 19 2HE2 GLN 19 19.881 -11.772 1.217 135 H TYR 20 H TYR 20 15.850 -12.552 -4.292 136 HA TYR 20 HA TYR 20 12.880 -12.627 -4.217 137 HB2 TYR 20 1HB TYR 20 14.150 -12.940 -6.340 138 HB3 TYR 20 2HB TYR 20 14.995 -14.309 -5.637 139 HD1 TYR 20 1HD TYR 20 11.524 -13.027 -6.299 140 HD2 TYR 20 2HD TYR 20 14.103 -16.472 -5.957 141 HE1 TYR 20 1HE TYR 20 9.804 -14.407 -7.423 142 HE2 TYR 20 2HE TYR 20 12.355 -17.880 -7.012 143 HH TYR 20 HH TYR 20 9.836 -16.540 -8.815 144 H ASP 21 H ASP 21 11.851 -14.464 -3.305 145 HA ASP 21 HA ASP 21 13.552 -16.481 -1.904 146 HB2 ASP 21 1HB ASP 21 11.918 -14.549 -0.566 147 HB3 ASP 21 2HB ASP 21 11.081 -16.067 -0.418 148 H GLU 22 H GLU 22 13.268 -18.138 -3.218 149 HA GLU 22 HA GLU 22 10.999 -18.514 -4.905 150 HB2 GLU 22 1HB GLU 22 12.113 -20.917 -5.075 151 HB3 GLU 22 2HB GLU 22 12.786 -19.498 -5.857 152 HG2 GLU 22 1HG GLU 22 14.405 -19.195 -4.075 153 HG3 GLU 22 2HG GLU 22 13.794 -20.678 -3.267 154 H THR 23 H THR 23 11.526 -19.547 -1.647 155 HA THR 23 HA THR 23 9.669 -21.688 -1.491 156 HB THR 23 HB THR 23 11.257 -21.039 0.284 157 HG1 THR 23 1HG THR 23 9.406 -22.286 0.820 158 HG21 THR 23 3HG2 THR 23 10.953 -18.564 0.197 159 HG22 THR 23 1HG2 THR 23 10.771 -19.216 1.829 160 HG23 THR 23 2HG2 THR 23 9.335 -18.751 0.893 161 H SER 24 H SER 24 9.103 -18.240 -1.926 162 HA SER 24 HA SER 24 6.153 -18.746 -1.994 163 HB2 SER 24 1HB SER 24 7.675 -16.383 -0.810 164 HB3 SER 24 2HB SER 24 5.923 -16.457 -1.025 165 HG SER 24 HG SER 24 5.940 -18.370 0.285 166 H GLY 25 H GLY 25 8.964 -17.260 -3.494 167 HA2 GLY 25 1HA GLY 25 9.268 -16.280 -5.465 168 HA3 GLY 25 2HA GLY 25 7.663 -16.793 -6.002 169 H TYR 26 H TYR 26 8.261 -14.847 -3.129 170 HA TYR 26 HA TYR 26 7.167 -12.351 -4.339 171 HB2 TYR 26 1HB TYR 26 7.399 -13.355 -1.504 172 HB3 TYR 26 2HB TYR 26 7.509 -11.645 -1.828 173 HD1 TYR 26 1HD TYR 26 5.213 -14.573 -2.309 174 HD2 TYR 26 2HD TYR 26 5.640 -10.293 -2.342 175 HE1 TYR 26 1HE TYR 26 2.738 -14.319 -2.363 176 HE2 TYR 26 2HE TYR 26 3.190 -10.030 -2.327 177 HH TYR 26 HH TYR 26 1.320 -11.507 -3.289 178 H TYR 27 H TYR 27 8.545 -10.463 -3.548 179 HA TYR 27 HA TYR 27 11.439 -11.121 -3.426 180 HB2 TYR 27 1HB TYR 27 10.014 -8.645 -4.458 181 HB3 TYR 27 2HB TYR 27 11.726 -8.687 -4.081 182 HD1 TYR 27 2HD TYR 27 9.118 -10.083 -6.350 183 HD2 TYR 27 1HD TYR 27 13.337 -9.820 -5.453 184 HE1 TYR 27 2HE TYR 27 9.665 -11.174 -8.502 185 HE2 TYR 27 1HE TYR 27 13.889 -10.943 -7.560 186 HH TYR 27 HH TYR 27 12.895 -12.223 -9.385 187 H TYR 28 H TYR 28 12.601 -9.915 -1.880 188 HA TYR 28 HA TYR 28 11.058 -8.897 0.454 189 HB2 TYR 28 1HB TYR 28 12.265 -10.978 0.886 190 HB3 TYR 28 2HB TYR 28 13.741 -10.312 0.191 191 HD1 TYR 28 1HD TYR 28 11.183 -9.283 2.766 192 HD2 TYR 28 2HD TYR 28 15.362 -9.628 1.745 193 HE1 TYR 28 1HE TYR 28 11.782 -8.479 4.990 194 HE2 TYR 28 2HE TYR 28 15.984 -8.788 3.965 195 HH TYR 28 HH TYR 28 15.167 -8.568 6.148 196 H ASP 29 H ASP 29 11.621 -6.926 1.227 197 HA ASP 29 HA ASP 29 13.426 -5.149 -0.299 198 HB2 ASP 29 1HB ASP 29 11.171 -4.414 -0.197 199 HB3 ASP 29 2HB ASP 29 11.090 -4.602 1.551 200 HA PRO 30 HA PRO 30 15.774 -6.185 3.592 201 HB2 PRO 30 1HB PRO 30 18.290 -5.806 2.575 202 HB3 PRO 30 2HB PRO 30 17.383 -7.347 2.354 203 HG2 PRO 30 1HG PRO 30 17.653 -5.012 0.435 204 HG3 PRO 30 2HG PRO 30 17.833 -6.762 0.079 205 HD2 PRO 30 1HD PRO 30 15.525 -5.418 -0.422 206 HD3 PRO 30 2HD PRO 30 15.517 -7.109 0.160 207 H GLN 31 H GLN 31 15.262 -3.452 1.615 208 HA GLN 31 HA GLN 31 17.191 -1.669 2.762 209 HB2 GLN 31 1HB GLN 31 16.220 -1.613 0.441 210 HB3 GLN 31 2HB GLN 31 14.681 -1.067 1.106 211 HG2 GLN 31 1HG GLN 31 15.455 1.044 1.595 212 HG3 GLN 31 2HG GLN 31 17.115 0.477 1.828 213 HE21 GLN 31 1HE2 GLN 31 18.099 2.004 0.458 214 HE22 GLN 31 2HE2 GLN 31 18.030 1.683 -1.282 215 H THR 32 H THR 32 14.039 -2.862 3.603 216 HA THR 32 HA THR 32 14.034 -1.257 6.112 217 HB THR 32 HB THR 32 11.537 -1.070 5.766 218 HG1 THR 32 1HG THR 32 12.194 -1.831 3.090 219 HG21 THR 32 3HG2 THR 32 13.089 0.386 3.585 220 HG22 THR 32 1HG2 THR 32 13.133 0.844 5.306 221 HG23 THR 32 2HG2 THR 32 11.614 0.901 4.409 222 H GLY 33 H GLY 33 12.484 -3.954 4.321 223 HA2 GLY 33 1HA GLY 33 12.835 -6.159 5.388 224 HA3 GLY 33 2HA GLY 33 12.091 -5.494 6.841 225 H LEU 34 H LEU 34 10.693 -4.370 3.871 226 HA LEU 34 HA LEU 34 8.170 -5.785 4.414 227 HB2 LEU 34 1HB LEU 34 8.955 -3.753 2.303 228 HB3 LEU 34 2HB LEU 34 7.324 -4.329 2.582 229 HG LEU 34 HG LEU 34 8.837 -3.062 4.902 230 HD11 LEU 34 1HD1 LEU 34 9.183 -1.318 3.482 231 HD12 LEU 34 2HD1 LEU 34 7.583 -0.896 4.095 232 HD13 LEU 34 3HD1 LEU 34 7.804 -1.657 2.483 233 HD21 LEU 34 3HD2 LEU 34 6.708 -4.204 5.384 234 HD22 LEU 34 1HD2 LEU 34 5.883 -3.162 4.214 235 HD23 LEU 34 2HD2 LEU 34 6.609 -2.463 5.663 236 H TYR 35 H TYR 35 6.995 -6.605 2.243 237 HA TYR 35 HA TYR 35 8.946 -7.942 0.445 238 HB2 TYR 35 1HB TYR 35 6.371 -9.016 1.608 239 HB3 TYR 35 2HB TYR 35 7.078 -9.658 0.138 240 HD1 TYR 35 2HD TYR 35 7.736 -9.178 3.799 241 HD2 TYR 35 1HD TYR 35 8.878 -11.212 0.158 242 HE1 TYR 35 2HE TYR 35 9.180 -10.705 5.100 243 HE2 TYR 35 1HE TYR 35 10.313 -12.738 1.450 244 HH TYR 35 HH TYR 35 11.295 -13.099 3.487 245 H TYR 36 H TYR 36 7.922 -8.406 -1.717 246 HA TYR 36 HA TYR 36 5.924 -6.445 -2.716 247 HB2 TYR 36 1HB TYR 36 8.045 -5.274 -2.840 248 HB3 TYR 36 2HB TYR 36 8.852 -6.721 -3.453 249 HD1 TYR 36 1HD TYR 36 8.666 -7.485 -5.728 250 HD2 TYR 36 2HD TYR 36 6.642 -3.926 -4.398 251 HE1 TYR 36 1HE TYR 36 8.492 -6.745 -8.069 252 HE2 TYR 36 2HE TYR 36 6.519 -3.130 -6.757 253 HH TYR 36 HH TYR 36 8.213 -4.870 -9.402 254 H ASP 37 H ASP 37 4.888 -7.259 -4.617 255 HA ASP 37 HA ASP 37 5.388 -10.144 -5.188 256 HB2 ASP 37 1HB ASP 37 3.105 -8.657 -4.560 257 HB3 ASP 37 2HB ASP 37 3.011 -8.814 -6.321 258 HA PRO 38 HA PRO 38 7.113 -8.560 -9.010 259 HB2 PRO 38 1HB PRO 38 6.661 -10.687 -10.786 260 HB3 PRO 38 2HB PRO 38 8.008 -10.531 -9.633 261 HG2 PRO 38 1HG PRO 38 5.352 -11.952 -9.260 262 HG3 PRO 38 2HG PRO 38 6.991 -12.587 -8.876 263 HD2 PRO 38 1HD PRO 38 5.468 -11.592 -6.917 264 HD3 PRO 38 2HD PRO 38 7.176 -11.113 -6.991 265 H ASN 39 H ASN 39 3.814 -10.022 -9.272 266 HA ASN 39 HA ASN 39 3.340 -8.472 -11.772 267 HB2 ASN 39 1HB ASN 39 2.146 -10.918 -10.479 268 HB3 ASN 39 2HB ASN 39 1.148 -9.894 -11.436 269 HD21 ASN 39 1HD2 ASN 39 3.581 -12.356 -11.552 270 HD22 ASN 39 2HD2 ASN 39 4.030 -12.135 -13.232 271 H SER 40 H SER 40 2.714 -8.320 -8.523 272 HA SER 40 HA SER 40 0.650 -6.170 -8.865 273 HB2 SER 40 1HB SER 40 0.663 -8.437 -6.837 274 HB3 SER 40 2HB SER 40 -0.247 -6.938 -6.602 275 HG SER 40 HG SER 40 -1.493 -8.555 -7.529 276 H GLN 41 H GLN 41 1.833 -4.399 -8.571 277 HA GLN 41 HA GLN 41 4.231 -4.319 -7.027 278 HB2 GLN 41 1HB GLN 41 2.518 -2.303 -8.464 279 HB3 GLN 41 2HB GLN 41 3.868 -1.804 -7.438 280 HG2 GLN 41 1HG GLN 41 4.484 -1.990 -9.799 281 HG3 GLN 41 2HG GLN 41 5.488 -2.906 -8.723 282 HE21 GLN 41 1HE2 GLN 41 5.455 -5.248 -8.855 283 HE22 GLN 41 2HE2 GLN 41 4.858 -6.071 -10.252 284 H TYR 42 H TYR 42 1.151 -4.605 -5.805 285 HA TYR 42 HA TYR 42 1.280 -2.882 -3.487 286 HB2 TYR 42 1HB TYR 42 -0.118 -5.562 -3.787 287 HB3 TYR 42 2HB TYR 42 -0.403 -4.353 -2.544 288 HD1 TYR 42 2HD TYR 42 -1.000 -1.882 -3.594 289 HD2 TYR 42 1HD TYR 42 -1.734 -5.707 -5.439 290 HE1 TYR 42 2HE TYR 42 -2.703 -0.834 -5.058 291 HE2 TYR 42 1HE TYR 42 -3.394 -4.668 -6.949 292 HH TYR 42 HH TYR 42 -4.065 -1.153 -7.052 293 H TYR 43 H TYR 43 2.564 -3.134 -1.857 294 HA TYR 43 HA TYR 43 4.534 -5.297 -1.660 295 HB2 TYR 43 1HB TYR 43 3.932 -2.791 -0.051 296 HB3 TYR 43 2HB TYR 43 5.165 -3.949 0.390 297 HD1 TYR 43 1HD TYR 43 4.251 -1.790 -2.588 298 HD2 TYR 43 2HD TYR 43 7.347 -3.631 -0.207 299 HE1 TYR 43 1HE TYR 43 5.949 -0.477 -3.786 300 HE2 TYR 43 2HE TYR 43 9.046 -2.335 -1.396 301 HH TYR 43 HH TYR 43 8.186 0.219 -3.787 302 H TYR 44 H TYR 44 4.776 -6.266 0.521 303 HA TYR 44 HA TYR 44 2.223 -6.750 1.973 304 HB2 TYR 44 1HB TYR 44 2.716 -8.742 0.629 305 HB3 TYR 44 2HB TYR 44 4.336 -8.771 1.233 306 HD1 TYR 44 2HD TYR 44 0.760 -9.020 2.330 307 HD2 TYR 44 1HD TYR 44 4.883 -9.852 3.297 308 HE1 TYR 44 2HE TYR 44 0.016 -10.474 4.190 309 HE2 TYR 44 1HE TYR 44 4.159 -11.352 5.117 310 HH TYR 44 HH TYR 44 2.310 -12.506 6.001 311 H ASN 45 H ASN 45 2.345 -6.639 4.026 312 HA ASN 45 HA ASN 45 4.823 -5.706 5.402 313 HB2 ASN 45 1HB ASN 45 3.225 -3.913 5.052 314 HB3 ASN 45 2HB ASN 45 1.896 -4.948 5.611 315 HD21 ASN 45 1HD2 ASN 45 1.245 -4.005 7.471 316 HD22 ASN 45 2HD2 ASN 45 2.266 -3.768 8.867 317 H ALA 46 H ALA 46 5.209 -7.964 5.794 318 HA ALA 46 HA ALA 46 3.511 -9.805 7.032 319 HB1 ALA 46 1HB ALA 46 5.923 -10.145 6.190 320 HB2 ALA 46 2HB ALA 46 6.441 -9.535 7.778 321 HB3 ALA 46 3HB ALA 46 5.453 -11.002 7.675 322 H GLN 47 H GLN 47 5.360 -7.189 8.492 323 HA GLN 47 HA GLN 47 5.244 -7.507 11.141 324 HB2 GLN 47 1HB GLN 47 5.734 -5.413 9.366 325 HB3 GLN 47 2HB GLN 47 4.362 -4.791 10.272 326 HG2 GLN 47 1HG GLN 47 5.546 -5.298 12.393 327 HG3 GLN 47 2HG GLN 47 6.937 -5.877 11.449 328 HE21 GLN 47 1HE2 GLN 47 7.717 -4.141 9.692 329 HE22 GLN 47 2HE2 GLN 47 7.855 -2.511 10.291 330 H SER 48 H SER 48 2.425 -6.502 9.142 331 HA SER 48 HA SER 48 0.672 -6.926 11.491 332 HB2 SER 48 1HB SER 48 0.060 -4.930 9.311 333 HB3 SER 48 2HB SER 48 -0.559 -5.016 10.955 334 HG SER 48 HG SER 48 1.579 -4.423 11.677 335 H GLN 49 H GLN 49 1.657 -8.478 8.978 336 HA GLN 49 HA GLN 49 1.065 -9.532 7.140 337 HB2 GLN 49 1HB GLN 49 -1.359 -10.359 8.792 338 HB3 GLN 49 2HB GLN 49 -0.657 -11.231 7.417 339 HG2 GLN 49 1HG GLN 49 1.537 -11.299 8.752 340 HG3 GLN 49 2HG GLN 49 0.585 -10.769 10.149 341 HE21 GLN 49 1HE2 GLN 49 2.014 -13.440 9.177 342 HE22 GLN 49 2HE2 GLN 49 0.792 -14.649 9.497 343 H GLN 50 H GLN 50 0.385 -6.830 6.874 344 HA GLN 50 HA GLN 50 -2.103 -6.909 5.322 345 HB2 GLN 50 1HB GLN 50 -1.245 -5.187 7.421 346 HB3 GLN 50 2HB GLN 50 -1.183 -4.234 5.955 347 HG2 GLN 50 1HG GLN 50 -3.358 -4.195 7.209 348 HG3 GLN 50 2HG GLN 50 -3.482 -4.581 5.490 349 HE21 GLN 50 1HE2 GLN 50 -2.694 -6.666 8.323 350 HE22 GLN 50 2HE2 GLN 50 -3.957 -7.823 8.063 351 H TYR 51 H TYR 51 -2.057 -4.900 3.713 352 HA TYR 51 HA TYR 51 0.300 -5.328 1.948 353 HB2 TYR 51 1HB TYR 51 -2.673 -5.300 1.377 354 HB3 TYR 51 2HB TYR 51 -1.480 -4.944 0.148 355 HD1 TYR 51 2HD TYR 51 -2.791 -7.602 2.388 356 HD2 TYR 51 1HD TYR 51 -0.008 -6.650 -0.761 357 HE1 TYR 51 2HE TYR 51 -2.571 -9.999 1.878 358 HE2 TYR 51 1HE TYR 51 0.136 -9.033 -1.383 359 HH TYR 51 HH TYR 51 -1.001 -11.117 -1.112 360 H LEU 52 H LEU 52 1.061 -3.556 0.915 361 HA LEU 52 HA LEU 52 -0.093 -0.902 1.600 362 HB2 LEU 52 1HB LEU 52 2.815 -1.689 1.788 363 HB3 LEU 52 2HB LEU 52 2.180 -0.104 2.127 364 HG LEU 52 HG LEU 52 1.711 -2.633 3.796 365 HD11 LEU 52 1HD1 LEU 52 3.980 -1.685 4.074 366 HD12 LEU 52 2HD1 LEU 52 3.027 -1.470 5.524 367 HD13 LEU 52 3HD1 LEU 52 3.297 -0.093 4.427 368 HD21 LEU 52 3HD2 LEU 52 -0.227 -1.255 4.096 369 HD22 LEU 52 1HD2 LEU 52 0.775 0.230 4.243 370 HD23 LEU 52 2HD2 LEU 52 0.786 -1.020 5.504 371 H TYR 53 H TYR 53 0.984 0.806 0.131 372 HA TYR 53 HA TYR 53 2.153 -0.305 -2.338 373 HB2 TYR 53 1HB TYR 53 1.071 1.205 -3.765 374 HB3 TYR 53 2HB TYR 53 -0.172 0.306 -2.930 375 HD1 TYR 53 2HD TYR 53 -1.159 1.575 -0.729 376 HD2 TYR 53 1HD TYR 53 0.854 3.540 -3.993 377 HE1 TYR 53 2HE TYR 53 -2.344 3.603 -0.195 378 HE2 TYR 53 1HE TYR 53 -0.225 5.635 -3.432 379 HH TYR 53 HH TYR 53 -2.523 6.438 -2.134 380 H TRP 54 H TRP 54 3.708 1.175 -3.250 381 HA TRP 54 HA TRP 54 4.785 3.206 -1.341 382 HB2 TRP 54 1HB TRP 54 6.496 1.661 -2.140 383 HB3 TRP 54 2HB TRP 54 5.927 1.843 -3.812 384 HD1 TRP 54 HD TRP 54 7.027 3.655 -5.226 385 HE1 TRP 54 1HE TRP 54 8.644 5.582 -4.831 386 HE3 TRP 54 3HE TRP 54 7.332 3.423 -0.128 387 HZ2 TRP 54 2HZ TRP 54 9.696 7.059 -2.559 388 HZ3 TRP 54 3HZ TRP 54 8.686 5.059 1.116 389 HH2 TRP 54 HH TRP 54 9.851 6.915 -0.084 390 H ASP 55 H ASP 55 5.027 5.373 -2.227 391 HA ASP 55 HA ASP 55 4.042 5.854 -4.922 392 HB2 ASP 55 1HB ASP 55 2.021 6.152 -3.407 393 HB3 ASP 55 2HB ASP 55 2.903 7.430 -2.642 394 H GLY 56 H GLY 56 4.902 7.984 -5.622 395 HA2 GLY 56 1HA GLY 56 7.254 8.842 -3.996 396 HA3 GLY 56 2HA GLY 56 7.078 9.047 -5.723 397 H GLU 57 H GLU 57 3.979 9.858 -4.669 398 HA GLU 57 HA GLU 57 4.614 12.700 -4.828 399 HB2 GLU 57 1HB GLU 57 1.995 11.338 -4.121 400 HB3 GLU 57 2HB GLU 57 2.243 13.037 -4.548 401 HG2 GLU 57 1HG GLU 57 3.043 12.309 -6.816 402 HG3 GLU 57 2HG GLU 57 2.636 10.645 -6.383 403 H ARG 58 H ARG 58 3.505 10.340 -2.378 404 HA ARG 58 HA ARG 58 3.943 12.327 -0.215 405 HB2 ARG 58 1HB ARG 58 2.486 9.662 -0.301 406 HB3 ARG 58 2HB ARG 58 2.654 10.664 1.134 407 HG2 ARG 58 1HG ARG 58 1.383 12.461 0.076 408 HG3 ARG 58 2HG ARG 58 1.260 11.510 -1.435 409 HD2 ARG 58 1HD ARG 58 -0.165 9.917 -0.478 410 HD3 ARG 58 2HD ARG 58 0.346 10.274 1.179 411 HE ARG 58 HE ARG 58 -0.966 12.524 0.007 412 HH11 ARG 58 1HH1 ARG 58 -1.902 9.190 1.096 413 HH12 ARG 58 2HH1 ARG 58 -3.322 9.766 1.857 414 HH21 ARG 58 1HH2 ARG 58 -3.046 13.118 0.805 415 HH22 ARG 58 2HH2 ARG 58 -4.085 11.960 1.506 416 H ARG 59 H ARG 59 5.714 9.817 -1.689 417 HA ARG 59 HA ARG 59 7.467 8.541 -1.118 418 HB2 ARG 59 1HB ARG 59 8.267 11.106 0.288 419 HB3 ARG 59 2HB ARG 59 9.327 9.704 0.077 420 HG2 ARG 59 1HG ARG 59 9.075 9.788 -2.360 421 HG3 ARG 59 2HG ARG 59 8.040 11.220 -2.208 422 HD2 ARG 59 1HD ARG 59 9.846 12.521 -1.270 423 HD3 ARG 59 2HD ARG 59 10.865 11.089 -1.113 424 HE ARG 59 HE ARG 59 11.172 10.987 -3.459 425 HH11 ARG 59 1HH1 ARG 59 9.285 13.897 -2.711 426 HH12 ARG 59 2HH1 ARG 59 10.031 14.847 -3.944 427 HH21 ARG 59 1HH2 ARG 59 11.885 12.162 -5.265 428 HH22 ARG 59 2HH2 ARG 59 11.620 13.872 -5.370 429 H THR 60 H THR 60 5.627 7.427 0.097 430 HA THR 60 HA THR 60 6.923 6.456 2.513 431 HB THR 60 HB THR 60 5.493 8.222 3.391 432 HG1 THR 60 1HG THR 60 4.245 5.716 3.861 433 HG21 THR 60 3HG2 THR 60 2.975 8.091 3.162 434 HG22 THR 60 1HG2 THR 60 3.226 6.962 1.799 435 HG23 THR 60 2HG2 THR 60 3.836 8.594 1.711 436 H TYR 61 H TYR 61 6.167 4.306 3.030 437 HA TYR 61 HA TYR 61 4.504 2.918 1.030 438 HB2 TYR 61 1HB TYR 61 5.348 1.990 3.810 439 HB3 TYR 61 2HB TYR 61 4.787 0.997 2.491 440 HD1 TYR 61 2HD TYR 61 6.396 0.715 0.408 441 HD2 TYR 61 1HD TYR 61 7.659 2.506 4.121 442 HE1 TYR 61 2HE TYR 61 8.709 0.161 -0.145 443 HE2 TYR 61 1HE TYR 61 10.002 2.055 3.514 444 HH TYR 61 HH TYR 61 10.949 -0.196 0.963 445 H VAL 62 H VAL 62 2.321 2.905 1.176 446 HA VAL 62 HA VAL 62 0.997 3.871 3.631 447 HB VAL 62 HB VAL 62 -0.675 4.734 1.668 448 HG11 VAL 62 1HG1 VAL 62 -0.094 6.115 3.513 449 HG12 VAL 62 2HG1 VAL 62 1.613 6.141 3.078 450 HG13 VAL 62 3HG1 VAL 62 0.412 7.023 2.088 451 HG21 VAL 62 3HG2 VAL 62 0.500 5.931 -0.055 452 HG22 VAL 62 1HG2 VAL 62 2.070 5.388 0.532 453 HG23 VAL 62 2HG2 VAL 62 0.937 4.227 -0.171 454 HA PRO 63 HA PRO 63 -1.373 0.269 3.326 455 HB2 PRO 63 1HB PRO 63 -3.786 0.929 4.402 456 HB3 PRO 63 2HB PRO 63 -2.283 0.771 5.363 457 HG2 PRO 63 1HG PRO 63 -3.579 3.297 4.300 458 HG3 PRO 63 2HG PRO 63 -2.887 3.005 5.924 459 HD2 PRO 63 1HD PRO 63 -1.504 4.285 3.954 460 HD3 PRO 63 2HD PRO 63 -0.686 3.209 5.121 461 H ALA 64 H ALA 64 -2.155 -0.778 1.589 462 HA ALA 64 HA ALA 64 -3.584 0.834 -0.381 463 HB1 ALA 64 1HB ALA 64 -1.546 -0.454 -1.072 464 HB2 ALA 64 2HB ALA 64 -2.390 -1.969 -0.628 465 HB3 ALA 64 3HB ALA 64 -2.973 -0.958 -1.979 466 H LEU 65 H LEU 65 -4.746 -0.507 2.000 467 HA LEU 65 HA LEU 65 -6.652 -2.371 0.947 468 HB2 LEU 65 1HB LEU 65 -6.839 -0.967 3.619 469 HB3 LEU 65 2HB LEU 65 -7.519 -2.500 3.141 470 HG LEU 65 HG LEU 65 -5.799 -3.184 4.398 471 HD11 LEU 65 1HD1 LEU 65 -5.332 -4.179 2.166 472 HD12 LEU 65 2HD1 LEU 65 -3.937 -4.096 3.249 473 HD13 LEU 65 3HD1 LEU 65 -4.082 -2.930 1.927 474 HD21 LEU 65 3HD2 LEU 65 -4.916 -0.978 4.960 475 HD22 LEU 65 1HD2 LEU 65 -3.866 -1.081 3.504 476 HD23 LEU 65 2HD2 LEU 65 -3.680 -2.226 4.826 477 H GLU 66 H GLU 66 -7.206 0.886 2.432 478 HA GLU 66 HA GLU 66 -9.855 1.049 1.197 479 HB2 GLU 66 1HB GLU 66 -8.254 2.807 3.078 480 HB3 GLU 66 2HB GLU 66 -9.714 3.404 2.308 481 HG2 GLU 66 1HG GLU 66 -10.148 2.521 4.569 482 HG3 GLU 66 2HG GLU 66 -11.086 1.733 3.309 483 H GLN 67 H GLN 67 -6.929 3.124 1.018 484 HA GLN 67 HA GLN 67 -6.045 4.484 -0.507 485 HB2 GLN 67 1HB GLN 67 -7.493 2.853 -2.606 486 HB3 GLN 67 2HB GLN 67 -6.092 3.889 -2.872 487 HG2 GLN 67 1HG GLN 67 -4.691 2.438 -1.503 488 HG3 GLN 67 2HG GLN 67 -6.075 1.409 -1.107 489 HE21 GLN 67 1HE2 GLN 67 -7.351 1.075 -3.626 490 HE22 GLN 67 2HE2 GLN 67 -6.233 0.119 -4.588 491 H SER 68 H SER 68 -6.593 5.977 -2.532 492 HA SER 68 HA SER 68 -7.534 7.970 -3.021 493 HB2 SER 68 1HB SER 68 -10.023 6.233 -3.142 494 HB3 SER 68 2HB SER 68 -9.855 7.907 -3.688 495 HG SER 68 HG SER 68 -8.653 5.557 -4.742 496 H ALA 69 H ALA 69 -6.951 8.264 -0.656 497 HA ALA 69 HA ALA 69 -9.014 8.526 1.329 498 HB1 ALA 69 1HB ALA 69 -7.242 9.708 2.618 499 HB2 ALA 69 2HB ALA 69 -6.694 8.142 1.975 500 HB3 ALA 69 3HB ALA 69 -6.188 9.649 1.185 501 H ASP 70 H ASP 70 -10.676 9.890 0.768 502 HA ASP 70 HA ASP 70 -10.029 12.780 0.370 503 HB2 ASP 70 1HB ASP 70 -10.374 11.644 -1.853 504 HB3 ASP 70 2HB ASP 70 -12.043 11.311 -1.366 505 H GLY 71 H GLY 71 -12.614 10.380 1.029 506 HA2 GLY 71 1HA GLY 71 -14.316 12.378 2.371 507 HA3 GLY 71 2HA GLY 71 -14.645 10.659 2.115 508 H HIS 72 H HIS 72 -14.863 12.013 4.671 509 HA HIS 72 HA HIS 72 -12.501 11.480 6.215 510 HB2 HIS 72 1HB HIS 72 -14.415 13.228 6.568 511 HB3 HIS 72 2HB HIS 72 -15.239 11.921 7.414 512 HD1 HIS 72 1HD HIS 72 -14.623 11.997 10.012 513 HD2 HIS 72 2HD HIS 72 -11.697 13.598 7.428 514 HE1 HIS 72 1HE HIS 72 -12.738 12.811 11.479 515 H LYS 73 H LYS 73 -11.962 9.346 5.919 516 HA LYS 73 HA LYS 73 -13.784 7.267 7.077 517 HB2 LYS 73 1HB LYS 73 -12.205 7.131 4.472 518 HB3 LYS 73 2HB LYS 73 -13.039 5.762 5.213 519 HG2 LYS 73 1HG LYS 73 -15.211 6.889 4.943 520 HG3 LYS 73 2HG LYS 73 -14.415 8.304 4.221 521 HD2 LYS 73 1HD LYS 73 -13.575 6.907 2.373 522 HD3 LYS 73 2HD LYS 73 -14.263 5.480 3.112 523 HE2 LYS 73 1HE LYS 73 -15.698 6.172 1.318 524 HE3 LYS 73 2HE LYS 73 -16.547 6.378 2.848 525 HZ1 LYS 73 3HZ LYS 73 -16.869 8.201 1.333 526 HZ2 LYS 73 1HZ LYS 73 -15.269 8.552 1.295 527 HZ3 LYS 73 2HZ LYS 73 -16.191 8.701 2.707 528 H GLU 74 H GLU 74 -12.652 5.220 7.613 529 HA GLU 74 HA GLU 74 -9.772 5.533 8.367 530 HB2 GLU 74 1HB GLU 74 -12.083 4.420 10.029 531 HB3 GLU 74 2HB GLU 74 -10.394 4.220 10.423 532 HG2 GLU 74 1HG GLU 74 -10.645 6.050 11.692 533 HG3 GLU 74 2HG GLU 74 -10.469 6.956 10.186 534 H THR 75 H THR 75 -8.724 3.584 8.802 535 HA THR 75 HA THR 75 -8.706 1.752 6.789 536 HB THR 75 HB THR 75 -7.976 1.186 9.678 537 HG1 THR 75 1HG THR 75 -6.351 2.539 9.534 538 HG21 THR 75 3HG2 THR 75 -5.976 0.112 8.622 539 HG22 THR 75 1HG2 THR 75 -6.683 0.460 7.025 540 HG23 THR 75 2HG2 THR 75 -7.498 -0.640 8.166 541 H GLY 76 H GLY 76 -10.738 1.690 9.684 542 HA2 GLY 76 1HA GLY 76 -11.264 -1.090 9.632 543 HA3 GLY 76 2HA GLY 76 -12.264 0.120 10.429 544 H ALA 77 H ALA 77 -12.420 1.532 7.646 545 HA ALA 77 HA ALA 77 -14.104 1.871 6.208 546 HB1 ALA 77 1HB ALA 77 -13.371 -0.945 5.404 547 HB2 ALA 77 2HB ALA 77 -14.190 0.272 4.415 548 HB3 ALA 77 3HB ALA 77 -12.524 0.553 4.953 549 HA PRO 78 HA PRO 78 -17.376 -0.286 8.699 550 HB2 PRO 78 1HB PRO 78 -18.731 1.955 9.544 551 HB3 PRO 78 2HB PRO 78 -17.274 1.330 10.376 552 HG2 PRO 78 1HG PRO 78 -17.418 3.528 8.281 553 HG3 PRO 78 2HG PRO 78 -16.616 3.572 9.882 554 HD2 PRO 78 1HD PRO 78 -15.235 3.000 7.589 555 HD3 PRO 78 2HD PRO 78 -14.869 2.156 9.129 556 H SER 79 H SER 79 -19.667 -0.306 8.335 557 HA SER 79 HA SER 79 -20.727 0.985 5.862 558 HB2 SER 79 1HB SER 79 -21.062 -1.968 6.399 559 HB3 SER 79 2HB SER 79 -21.402 -1.059 4.919 560 HG SER 79 HG SER 79 -18.927 -1.790 6.048 561 H LYS 80 H LYS 80 -21.193 1.919 8.336 562 HA LYS 80 HA LYS 80 -24.056 1.167 8.715 563 HB2 LYS 80 1HB LYS 80 -23.981 1.423 11.060 564 HB3 LYS 80 2HB LYS 80 -22.847 0.171 10.592 565 HG2 LYS 80 1HG LYS 80 -20.960 1.442 11.209 566 HG3 LYS 80 2HG LYS 80 -21.817 2.979 11.121 567 HD2 LYS 80 1HD LYS 80 -23.137 2.476 13.073 568 HD3 LYS 80 2HD LYS 80 -22.501 0.840 13.175 569 HE2 LYS 80 1HE LYS 80 -20.909 3.404 13.615 570 HE3 LYS 80 2HE LYS 80 -21.590 2.374 14.869 571 HZ1 LYS 80 3HZ LYS 80 -20.167 0.543 13.822 572 HZ2 LYS 80 1HZ LYS 80 -19.406 1.713 14.710 573 HZ3 LYS 80 2HZ LYS 80 -19.340 1.801 13.103 574 H GLU 81 H GLU 81 -21.845 3.682 7.914 575 HA GLU 81 HA GLU 81 -23.814 5.737 8.550 576 HB2 GLU 81 1HB GLU 81 -22.389 5.052 10.700 577 HB3 GLU 81 2HB GLU 81 -21.114 5.961 9.932 578 HG2 GLU 81 1HG GLU 81 -22.296 7.421 11.439 579 HG3 GLU 81 2HG GLU 81 -22.758 7.914 9.801 580 H GLY 82 H GLY 82 -23.192 5.064 6.145 581 HA2 GLY 82 1HA GLY 82 -22.025 7.007 4.640 582 HA3 GLY 82 2HA GLY 82 -20.638 6.007 5.136 583 H LYS 83 H LYS 83 -20.274 4.194 4.005 584 HA LYS 83 HA LYS 83 -21.922 3.692 1.652 585 HB2 LYS 83 1HB LYS 83 -20.014 2.276 0.913 586 HB3 LYS 83 2HB LYS 83 -19.604 3.914 1.312 587 HG2 LYS 83 1HG LYS 83 -17.892 2.980 2.316 588 HG3 LYS 83 2HG LYS 83 -18.944 2.879 3.697 589 HD2 LYS 83 1HD LYS 83 -19.338 0.537 3.349 590 HD3 LYS 83 2HD LYS 83 -18.573 0.557 1.750 591 HE2 LYS 83 1HE LYS 83 -17.119 1.313 4.314 592 HE3 LYS 83 2HE LYS 83 -17.174 -0.348 3.715 593 HZ1 LYS 83 3HZ LYS 83 -15.184 0.898 3.025 594 HZ2 LYS 83 1HZ LYS 83 -16.098 1.944 2.181 595 HZ3 LYS 83 2HZ LYS 83 -16.023 0.340 1.751 596 H GLU 84 H GLU 84 -23.186 2.941 4.017 597 HA GLU 84 HA GLU 84 -22.943 0.358 4.949 598 HB2 GLU 84 1HB GLU 84 -25.274 0.582 5.741 599 HB3 GLU 84 2HB GLU 84 -24.251 1.956 6.071 600 HG2 GLU 84 1HG GLU 84 -25.951 3.207 5.346 601 HG3 GLU 84 2HG GLU 84 -25.297 2.832 3.747 602 H LYS 85 H LYS 85 -25.126 1.433 2.307 603 HA LYS 85 HA LYS 85 -25.394 -1.350 1.413 604 HB2 LYS 85 1HB LYS 85 -27.260 0.506 1.950 605 HB3 LYS 85 2HB LYS 85 -27.145 0.735 0.227 606 HG2 LYS 85 1HG LYS 85 -27.537 -1.921 1.686 607 HG3 LYS 85 2HG LYS 85 -28.836 -0.827 1.266 608 HD2 LYS 85 1HD LYS 85 -29.051 -2.061 -0.568 609 HD3 LYS 85 2HD LYS 85 -27.777 -1.061 -1.223 610 HE2 LYS 85 1HE LYS 85 -27.326 -3.780 0.135 611 HE3 LYS 85 2HE LYS 85 -27.647 -3.577 -1.584 612 HZ1 LYS 85 3HZ LYS 85 -25.198 -2.947 -0.152 613 HZ2 LYS 85 1HZ LYS 85 -25.586 -2.031 -1.474 614 HZ3 LYS 85 2HZ LYS 85 -25.429 -3.657 -1.596 615 H LYS 86 H LYS 86 -22.946 0.400 0.904 616 HA LYS 86 HA LYS 86 -21.580 1.028 -0.785 617 HB2 LYS 86 1HB LYS 86 -23.148 -1.038 -2.385 618 HB3 LYS 86 2HB LYS 86 -21.667 -0.272 -2.933 619 HG2 LYS 86 1HG LYS 86 -21.795 -1.859 -0.332 620 HG3 LYS 86 2HG LYS 86 -21.454 -2.589 -1.903 621 HD2 LYS 86 1HD LYS 86 -19.508 -1.129 -2.219 622 HD3 LYS 86 2HD LYS 86 -19.821 -0.334 -0.657 623 HE2 LYS 86 1HE LYS 86 -19.405 -2.350 0.568 624 HE3 LYS 86 2HE LYS 86 -19.421 -3.328 -0.901 625 HZ1 LYS 86 3HZ LYS 86 -17.374 -2.213 -1.591 626 HZ2 LYS 86 1HZ LYS 86 -17.210 -2.948 -0.123 627 HZ3 LYS 86 2HZ LYS 86 -17.370 -1.313 -0.235 628 H GLU 87 H GLU 87 -23.821 2.662 -0.225 629 HA GLU 87 HA GLU 87 -24.660 4.578 -0.917 630 HB2 GLU 87 1HB GLU 87 -23.108 4.582 -3.460 631 HB3 GLU 87 2HB GLU 87 -23.536 5.926 -2.417 632 HG2 GLU 87 1HG GLU 87 -21.411 3.828 -1.800 633 HG3 GLU 87 2HG GLU 87 -21.126 5.337 -2.625 634 H LYS 88 H LYS 88 -25.607 1.830 -2.274 635 HA LYS 88 HA LYS 88 -26.636 2.755 -4.794 636 HB2 LYS 88 1HB LYS 88 -27.431 0.288 -3.192 637 HB3 LYS 88 2HB LYS 88 -27.853 0.624 -4.881 638 HG2 LYS 88 1HG LYS 88 -25.322 0.819 -5.348 639 HG3 LYS 88 2HG LYS 88 -25.068 0.190 -3.726 640 HD2 LYS 88 1HD LYS 88 -24.849 -1.652 -5.120 641 HD3 LYS 88 2HD LYS 88 -26.453 -1.845 -4.393 642 HE2 LYS 88 1HE LYS 88 -27.498 -0.946 -6.469 643 HE3 LYS 88 2HE LYS 88 -25.895 -0.625 -7.136 644 HZ1 LYS 88 3HZ LYS 88 -26.984 -3.281 -6.510 645 HZ2 LYS 88 1HZ LYS 88 -25.440 -2.985 -7.047 646 HZ3 LYS 88 2HZ LYS 88 -26.730 -2.662 -8.025 647 H HIS 89 H HIS 89 -27.831 3.189 -1.603 648 HA HIS 89 HA HIS 89 -29.752 3.887 -0.681 649 HB2 HIS 89 1HB HIS 89 -29.886 5.526 -3.237 650 HB3 HIS 89 2HB HIS 89 -30.868 5.800 -1.806 651 HD1 HIS 89 1HD HIS 89 -27.091 5.825 -2.747 652 HD2 HIS 89 2HD HIS 89 -29.865 7.425 0.006 653 HE1 HIS 89 1HE HIS 89 -25.827 7.506 -1.324 654 H LYS 90 H LYS 90 -30.890 1.939 -0.610 655 HA LYS 90 HA LYS 90 -32.324 0.303 -1.204 656 HB2 LYS 90 1HB LYS 90 -34.542 0.771 -1.980 657 HB3 LYS 90 2HB LYS 90 -34.057 1.906 -0.738 658 HG2 LYS 90 1HG LYS 90 -33.835 3.695 -2.305 659 HG3 LYS 90 2HG LYS 90 -33.997 2.602 -3.701 660 HD2 LYS 90 1HD LYS 90 -36.333 2.251 -3.247 661 HD3 LYS 90 2HD LYS 90 -36.193 2.998 -1.645 662 HE2 LYS 90 1HE LYS 90 -37.223 4.621 -3.092 663 HE3 LYS 90 2HE LYS 90 -35.583 5.166 -2.709 664 HZ1 LYS 90 3HZ LYS 90 -36.463 3.924 -5.268 665 HZ2 LYS 90 1HZ LYS 90 -34.952 4.154 -4.952 666 HZ3 LYS 90 2HZ LYS 90 -35.946 5.466 -5.051 667 H THR 91 H THR 91 -33.899 -0.033 -3.684 668 HA THR 91 HA THR 91 -32.120 0.536 -5.781 669 HB THR 91 HB THR 91 -33.028 -2.000 -6.626 670 HG1 THR 91 1HG THR 91 -33.194 -2.725 -4.549 671 HG21 THR 91 3HG2 THR 91 -30.612 -2.524 -6.802 672 HG22 THR 91 1HG2 THR 91 -30.234 -1.075 -5.837 673 HG23 THR 91 2HG2 THR 91 -31.001 -0.910 -7.421 674 H LYS 92 H LYS 92 -33.324 0.605 -7.761 675 HA LYS 92 HA LYS 92 -34.883 1.750 -8.814 676 HB2 LYS 92 1HB LYS 92 -36.214 -0.414 -8.724 677 HB3 LYS 92 2HB LYS 92 -36.993 0.194 -7.264 678 HG2 LYS 92 1HG LYS 92 -37.192 2.271 -9.257 679 HG3 LYS 92 2HG LYS 92 -37.582 0.752 -10.062 680 HD2 LYS 92 1HD LYS 92 -39.362 0.285 -8.451 681 HD3 LYS 92 2HD LYS 92 -38.844 1.632 -7.432 682 HE2 LYS 92 1HE LYS 92 -40.811 2.310 -8.649 683 HE3 LYS 92 2HE LYS 92 -39.413 3.255 -9.169 684 HZ1 LYS 92 3HZ LYS 92 -39.261 1.838 -11.117 685 HZ2 LYS 92 1HZ LYS 92 -40.742 2.545 -11.040 686 HZ3 LYS 92 2HZ LYS 92 -40.568 0.960 -10.635 Start of MODEL 12 1 H1 GLY 1 H GLY 1 8.067 28.369 -4.087 2 HA2 GLY 1 1HA GLY 1 10.036 29.589 -4.920 3 HA3 GLY 1 2HA GLY 1 9.873 30.670 -3.517 4 H HIS 2 H HIS 2 11.307 27.752 -4.668 5 HA HIS 2 HA HIS 2 11.375 26.308 -2.161 6 HB2 HIS 2 1HB HIS 2 12.873 24.826 -3.623 7 HB3 HIS 2 2HB HIS 2 11.201 25.006 -4.136 8 HD1 HIS 2 1HD HIS 2 14.712 25.973 -5.207 9 HD2 HIS 2 2HD HIS 2 10.716 26.144 -6.508 10 HE1 HIS 2 1HE HIS 2 14.773 26.797 -7.642 11 H MET 3 H MET 3 13.385 25.734 -1.119 12 HA MET 3 HA MET 3 15.853 26.706 -1.813 13 HB2 MET 3 1HB MET 3 14.427 28.769 -0.366 14 HB3 MET 3 2HB MET 3 15.672 28.135 0.708 15 HG2 MET 3 1HG MET 3 16.142 29.052 -2.149 16 HG3 MET 3 2HG MET 3 16.465 30.019 -0.713 17 HE1 MET 3 3HE MET 3 19.958 28.885 -2.401 18 HE2 MET 3 1HE MET 3 18.412 29.002 -3.272 19 HE3 MET 3 2HE MET 3 18.884 30.276 -2.118 20 H GLN 4 H GLN 4 13.884 26.021 1.173 21 HA GLN 4 HA GLN 4 15.929 24.096 2.057 22 HB2 GLN 4 1HB GLN 4 14.299 25.431 3.581 23 HB3 GLN 4 2HB GLN 4 13.090 24.240 3.131 24 HG2 GLN 4 1HG GLN 4 14.220 22.483 4.202 25 HG3 GLN 4 2HG GLN 4 15.797 23.272 4.087 26 HE21 GLN 4 1HE2 GLN 4 14.180 22.142 6.474 27 HE22 GLN 4 2HE2 GLN 4 14.517 23.401 7.633 28 H GLU 5 H GLU 5 15.750 21.837 1.769 29 HA GLU 5 HA GLU 5 14.137 21.073 -0.526 30 HB2 GLU 5 1HB GLU 5 16.446 20.479 -0.491 31 HB3 GLU 5 2HB GLU 5 16.298 19.662 1.073 32 HG2 GLU 5 1HG GLU 5 15.020 17.888 0.154 33 HG3 GLU 5 2HG GLU 5 14.642 18.796 -1.320 34 H SER 6 H SER 6 14.621 19.797 2.723 35 HA SER 6 HA SER 6 13.460 18.252 3.966 36 HB2 SER 6 1HB SER 6 12.261 20.318 4.487 37 HB3 SER 6 2HB SER 6 11.104 20.002 3.175 38 HG SER 6 HG SER 6 10.232 18.380 4.295 39 H TYR 7 H TYR 7 14.062 16.600 2.259 40 HA TYR 7 HA TYR 7 11.573 15.255 1.458 41 HB2 TYR 7 1HB TYR 7 13.687 16.215 -0.429 42 HB3 TYR 7 2HB TYR 7 13.282 14.529 -0.582 43 HD1 TYR 7 2HD TYR 7 10.827 13.838 -0.792 44 HD2 TYR 7 1HD TYR 7 12.234 17.861 -1.426 45 HE1 TYR 7 2HE TYR 7 8.889 14.267 -2.279 46 HE2 TYR 7 1HE TYR 7 10.262 18.282 -2.935 47 HH TYR 7 HH TYR 7 8.559 17.311 -4.110 48 H SER 8 H SER 8 11.657 13.113 1.731 49 HA SER 8 HA SER 8 14.153 11.716 1.515 50 HB2 SER 8 1HB SER 8 13.896 12.346 4.004 51 HB3 SER 8 2HB SER 8 12.591 11.152 4.060 52 HG SER 8 HG SER 8 15.006 10.659 4.464 53 H GLN 9 H GLN 9 12.538 11.710 -0.381 54 HA GLN 9 HA GLN 9 10.458 9.742 -0.250 55 HB2 GLN 9 1HB GLN 9 9.988 10.333 -2.493 56 HB3 GLN 9 2HB GLN 9 10.421 11.838 -1.710 57 HG2 GLN 9 1HG GLN 9 12.781 11.512 -2.636 58 HG3 GLN 9 2HG GLN 9 12.144 10.117 -3.512 59 HE21 GLN 9 1HE2 GLN 9 10.652 10.456 -5.284 60 HE22 GLN 9 2HE2 GLN 9 10.462 12.034 -6.010 61 H TYR 10 H TYR 10 10.831 8.121 -2.381 62 HA TYR 10 HA TYR 10 13.361 6.620 -1.792 63 HB2 TYR 10 1HB TYR 10 10.480 5.825 -1.922 64 HB3 TYR 10 2HB TYR 10 11.717 4.634 -2.249 65 HD1 TYR 10 2HD TYR 10 10.402 7.013 0.304 66 HD2 TYR 10 1HD TYR 10 13.078 3.708 -0.425 67 HE1 TYR 10 2HE TYR 10 10.675 6.746 2.695 68 HE2 TYR 10 1HE TYR 10 13.459 3.497 2.009 69 HH TYR 10 HH TYR 10 12.206 5.889 4.288 70 HA PRO 11 HA PRO 11 13.719 6.248 -6.289 71 HB2 PRO 11 1HB PRO 11 14.860 3.810 -6.639 72 HB3 PRO 11 2HB PRO 11 15.707 5.130 -5.778 73 HG2 PRO 11 1HG PRO 11 14.046 2.904 -4.530 74 HG3 PRO 11 2HG PRO 11 15.757 3.322 -4.191 75 HD2 PRO 11 1HD PRO 11 13.789 4.321 -2.661 76 HD3 PRO 11 2HD PRO 11 15.157 5.361 -3.145 77 H VAL 12 H VAL 12 13.272 4.111 -7.918 78 HA VAL 12 HA VAL 12 10.462 3.340 -7.447 79 HB VAL 12 HB VAL 12 11.823 3.984 -10.051 80 HG11 VAL 12 1HG1 VAL 12 10.363 2.102 -10.446 81 HG12 VAL 12 2HG1 VAL 12 9.094 2.775 -9.391 82 HG13 VAL 12 3HG1 VAL 12 9.472 3.545 -10.937 83 HG21 VAL 12 3HG2 VAL 12 10.106 5.725 -10.179 84 HG22 VAL 12 1HG2 VAL 12 9.437 5.223 -8.606 85 HG23 VAL 12 2HG2 VAL 12 11.057 5.934 -8.710 86 HA PRO 13 HA PRO 13 13.024 -0.463 -7.119 87 HB2 PRO 13 1HB PRO 13 11.395 -1.886 -5.517 88 HB3 PRO 13 2HB PRO 13 12.314 -0.473 -4.904 89 HG2 PRO 13 1HG PRO 13 9.428 -0.500 -5.850 90 HG3 PRO 13 2HG PRO 13 10.056 0.069 -4.268 91 HD2 PRO 13 1HD PRO 13 9.673 1.786 -6.328 92 HD3 PRO 13 2HD PRO 13 11.099 1.947 -5.257 93 H ASP 14 H ASP 14 12.352 -2.938 -7.534 94 HA ASP 14 HA ASP 14 9.886 -3.345 -8.927 95 HB2 ASP 14 1HB ASP 14 11.333 -2.543 -10.838 96 HB3 ASP 14 2HB ASP 14 12.451 -3.856 -10.500 97 H VAL 15 H VAL 15 9.320 -5.554 -8.897 98 HA VAL 15 HA VAL 15 10.503 -7.232 -7.042 99 HB VAL 15 HB VAL 15 8.176 -7.281 -7.752 100 HG11 VAL 15 1HG1 VAL 15 7.469 -8.378 -9.841 101 HG12 VAL 15 2HG1 VAL 15 8.536 -7.029 -10.239 102 HG13 VAL 15 3HG1 VAL 15 9.150 -8.690 -10.290 103 HG21 VAL 15 3HG2 VAL 15 9.384 -10.028 -8.146 104 HG22 VAL 15 1HG2 VAL 15 9.058 -9.244 -6.590 105 HG23 VAL 15 2HG2 VAL 15 7.726 -9.622 -7.668 106 H SER 16 H SER 16 11.506 -6.861 -10.391 107 HA SER 16 HA SER 16 12.872 -9.349 -10.622 108 HB2 SER 16 1HB SER 16 12.183 -7.720 -12.381 109 HB3 SER 16 2HB SER 16 13.526 -6.675 -11.877 110 HG SER 16 HG SER 16 14.117 -7.923 -13.597 111 H THR 17 H THR 17 13.472 -6.915 -8.317 112 HA THR 17 HA THR 17 16.382 -7.537 -8.205 113 HB THR 17 HB THR 17 16.599 -5.557 -6.878 114 HG1 THR 17 1HG THR 17 13.781 -5.209 -7.171 115 HG21 THR 17 3HG2 THR 17 16.573 -5.284 -9.361 116 HG22 THR 17 1HG2 THR 17 16.050 -3.836 -8.487 117 HG23 THR 17 2HG2 THR 17 14.840 -4.859 -9.279 118 H TYR 18 H TYR 18 13.479 -8.665 -6.828 119 HA TYR 18 HA TYR 18 14.391 -8.763 -4.053 120 HB2 TYR 18 1HB TYR 18 11.849 -9.746 -5.448 121 HB3 TYR 18 2HB TYR 18 12.134 -9.759 -3.705 122 HD1 TYR 18 1HD TYR 18 13.652 -6.825 -4.138 123 HD2 TYR 18 2HD TYR 18 9.747 -8.555 -4.665 124 HE1 TYR 18 1HE TYR 18 12.737 -4.621 -4.347 125 HE2 TYR 18 2HE TYR 18 8.766 -6.308 -4.933 126 HH TYR 18 HH TYR 18 9.381 -4.081 -5.547 127 H GLN 19 H GLN 19 14.012 -10.784 -2.856 128 HA GLN 19 HA GLN 19 15.025 -13.209 -4.322 129 HB2 GLN 19 1HB GLN 19 15.634 -12.152 -1.522 130 HB3 GLN 19 2HB GLN 19 15.939 -13.799 -2.039 131 HG2 GLN 19 1HG GLN 19 17.141 -12.496 -4.097 132 HG3 GLN 19 2HG GLN 19 17.336 -11.269 -2.845 133 HE21 GLN 19 1HE2 GLN 19 19.128 -11.570 -1.484 134 HE22 GLN 19 2HE2 GLN 19 19.942 -13.091 -1.225 135 H TYR 20 H TYR 20 13.465 -14.747 -4.479 136 HA TYR 20 HA TYR 20 11.160 -14.817 -2.702 137 HB2 TYR 20 1HB TYR 20 11.166 -15.537 -5.046 138 HB3 TYR 20 2HB TYR 20 12.282 -16.849 -4.668 139 HD1 TYR 20 1HD TYR 20 8.919 -15.448 -4.006 140 HD2 TYR 20 2HD TYR 20 11.413 -18.933 -3.630 141 HE1 TYR 20 1HE TYR 20 6.887 -16.867 -3.725 142 HE2 TYR 20 2HE TYR 20 9.475 -20.320 -3.164 143 HH TYR 20 HH TYR 20 6.115 -18.945 -3.167 144 H ASP 21 H ASP 21 10.809 -16.212 -1.008 145 HA ASP 21 HA ASP 21 12.995 -18.074 -0.221 146 HB2 ASP 21 1HB ASP 21 12.356 -15.685 1.206 147 HB3 ASP 21 2HB ASP 21 11.739 -17.012 2.174 148 H GLU 22 H GLU 22 12.021 -19.898 -0.759 149 HA GLU 22 HA GLU 22 9.295 -20.527 -0.634 150 HB2 GLU 22 1HB GLU 22 10.260 -22.964 -0.439 151 HB3 GLU 22 2HB GLU 22 10.446 -22.024 -1.932 152 HG2 GLU 22 1HG GLU 22 12.685 -21.479 -1.463 153 HG3 GLU 22 2HG GLU 22 12.603 -22.100 0.213 154 H THR 23 H THR 23 11.548 -20.370 1.953 155 HA THR 23 HA THR 23 10.367 -22.095 3.839 156 HB THR 23 HB THR 23 12.638 -20.839 3.767 157 HG1 THR 23 1HG THR 23 12.286 -22.159 5.377 158 HG21 THR 23 3HG2 THR 23 11.595 -18.528 3.801 159 HG22 THR 23 1HG2 THR 23 12.929 -18.820 4.909 160 HG23 THR 23 2HG2 THR 23 11.263 -18.800 5.517 161 H SER 24 H SER 24 9.182 -19.010 2.682 162 HA SER 24 HA SER 24 6.882 -19.269 4.538 163 HB2 SER 24 1HB SER 24 7.605 -16.458 4.154 164 HB3 SER 24 2HB SER 24 7.106 -17.310 5.604 165 HG SER 24 HG SER 24 9.169 -17.054 6.152 166 H GLY 25 H GLY 25 8.165 -18.297 1.402 167 HA2 GLY 25 1HA GLY 25 6.884 -18.452 -0.554 168 HA3 GLY 25 2HA GLY 25 5.394 -18.309 0.359 169 H TYR 26 H TYR 26 7.852 -15.894 1.166 170 HA TYR 26 HA TYR 26 6.332 -13.890 -0.423 171 HB2 TYR 26 1HB TYR 26 7.551 -13.691 2.328 172 HB3 TYR 26 2HB TYR 26 7.288 -12.294 1.339 173 HD1 TYR 26 1HD TYR 26 5.059 -15.348 2.005 174 HD2 TYR 26 2HD TYR 26 5.518 -11.068 2.263 175 HE1 TYR 26 1HE TYR 26 2.742 -15.166 2.706 176 HE2 TYR 26 2HE TYR 26 3.205 -10.899 3.111 177 HH TYR 26 HH TYR 26 1.083 -13.773 3.396 178 H TYR 27 H TYR 27 7.677 -12.173 -1.087 179 HA TYR 27 HA TYR 27 10.379 -13.036 -1.973 180 HB2 TYR 27 1HB TYR 27 8.556 -10.754 -2.792 181 HB3 TYR 27 2HB TYR 27 10.233 -10.862 -3.288 182 HD1 TYR 27 2HD TYR 27 6.950 -12.609 -3.478 183 HD2 TYR 27 1HD TYR 27 10.918 -12.261 -5.117 184 HE1 TYR 27 2HE TYR 27 6.324 -14.174 -5.319 185 HE2 TYR 27 1HE TYR 27 10.319 -13.784 -6.946 186 HH TYR 27 HH TYR 27 7.119 -15.451 -7.056 187 H TYR 28 H TYR 28 12.188 -11.714 -1.205 188 HA TYR 28 HA TYR 28 11.625 -9.911 1.083 189 HB2 TYR 28 1HB TYR 28 13.092 -11.864 1.553 190 HB3 TYR 28 2HB TYR 28 14.174 -11.367 0.256 191 HD1 TYR 28 2HD TYR 28 12.454 -9.625 3.108 192 HD2 TYR 28 1HD TYR 28 16.178 -10.380 1.086 193 HE1 TYR 28 2HE TYR 28 13.566 -8.163 4.685 194 HE2 TYR 28 1HE TYR 28 17.349 -8.862 2.683 195 HH TYR 28 HH TYR 28 15.568 -7.425 5.474 196 H ASP 29 H ASP 29 12.168 -7.776 0.975 197 HA ASP 29 HA ASP 29 13.215 -6.694 -1.515 198 HB2 ASP 29 1HB ASP 29 11.953 -5.225 0.826 199 HB3 ASP 29 2HB ASP 29 12.357 -4.654 -0.794 200 HA PRO 30 HA PRO 30 16.878 -6.345 1.351 201 HB2 PRO 30 1HB PRO 30 18.841 -6.282 -0.542 202 HB3 PRO 30 2HB PRO 30 18.113 -7.775 0.129 203 HG2 PRO 30 1HG PRO 30 17.443 -6.351 -2.474 204 HG3 PRO 30 2HG PRO 30 17.727 -8.109 -2.222 205 HD2 PRO 30 1HD PRO 30 15.218 -7.088 -2.310 206 HD3 PRO 30 2HD PRO 30 15.668 -8.396 -1.160 207 H GLN 31 H GLN 31 15.468 -4.266 -0.949 208 HA GLN 31 HA GLN 31 17.517 -2.217 -0.838 209 HB2 GLN 31 1HB GLN 31 15.871 -2.666 -2.707 210 HB3 GLN 31 2HB GLN 31 14.601 -1.984 -1.680 211 HG2 GLN 31 1HG GLN 31 15.548 0.202 -1.807 212 HG3 GLN 31 2HG GLN 31 17.109 -0.422 -2.369 213 HE21 GLN 31 1HE2 GLN 31 16.814 1.255 -4.119 214 HE22 GLN 31 2HE2 GLN 31 15.974 0.713 -5.558 215 H THR 32 H THR 32 14.505 -3.031 0.840 216 HA THR 32 HA THR 32 14.648 -0.678 2.634 217 HB THR 32 HB THR 32 11.913 -1.284 2.336 218 HG1 THR 32 1HG THR 32 11.782 -1.496 -0.033 219 HG21 THR 32 3HG2 THR 32 12.014 0.691 0.724 220 HG22 THR 32 1HG2 THR 32 13.744 0.408 0.470 221 HG23 THR 32 2HG2 THR 32 13.149 0.973 2.052 222 H GLY 33 H GLY 33 14.264 -4.143 2.492 223 HA2 GLY 33 1HA GLY 33 14.664 -5.460 4.370 224 HA3 GLY 33 2HA GLY 33 14.158 -4.117 5.419 225 H LEU 34 H LEU 34 11.642 -4.152 3.154 226 HA LEU 34 HA LEU 34 9.954 -5.618 4.893 227 HB2 LEU 34 1HB LEU 34 9.202 -4.890 2.104 228 HB3 LEU 34 2HB LEU 34 8.243 -4.784 3.565 229 HG LEU 34 HG LEU 34 8.616 -2.501 3.103 230 HD11 LEU 34 1HD1 LEU 34 11.046 -2.596 4.598 231 HD12 LEU 34 2HD1 LEU 34 9.490 -3.161 5.277 232 HD13 LEU 34 3HD1 LEU 34 9.647 -1.506 4.651 233 HD21 LEU 34 3HD2 LEU 34 9.245 -2.805 1.084 234 HD22 LEU 34 1HD2 LEU 34 10.912 -3.026 1.627 235 HD23 LEU 34 2HD2 LEU 34 9.978 -1.449 1.901 236 H TYR 35 H TYR 35 8.343 -7.068 3.705 237 HA TYR 35 HA TYR 35 9.619 -8.808 1.625 238 HB2 TYR 35 1HB TYR 35 7.637 -9.491 3.834 239 HB3 TYR 35 2HB TYR 35 7.788 -10.454 2.388 240 HD1 TYR 35 2HD TYR 35 9.822 -9.181 5.284 241 HD2 TYR 35 1HD TYR 35 9.462 -12.084 2.116 242 HE1 TYR 35 2HE TYR 35 11.846 -10.353 6.113 243 HE2 TYR 35 1HE TYR 35 11.392 -13.284 2.934 244 HH TYR 35 HH TYR 35 13.021 -13.394 4.633 245 H TYR 36 H TYR 36 8.622 -8.787 -0.291 246 HA TYR 36 HA TYR 36 5.957 -7.526 -0.704 247 HB2 TYR 36 1HB TYR 36 7.790 -6.930 -2.221 248 HB3 TYR 36 2HB TYR 36 8.048 -8.624 -2.602 249 HD1 TYR 36 1HD TYR 36 6.668 -9.881 -4.090 250 HD2 TYR 36 2HD TYR 36 5.913 -5.739 -3.254 251 HE1 TYR 36 1HE TYR 36 5.182 -9.772 -6.060 252 HE2 TYR 36 2HE TYR 36 4.384 -5.598 -5.192 253 HH TYR 36 HH TYR 36 4.183 -8.297 -7.530 254 H ASP 37 H ASP 37 4.158 -8.766 -1.731 255 HA ASP 37 HA ASP 37 4.602 -11.718 -1.815 256 HB2 ASP 37 1HB ASP 37 3.312 -11.157 0.216 257 HB3 ASP 37 2HB ASP 37 2.143 -10.305 -0.819 258 HA PRO 38 HA PRO 38 3.091 -11.013 -5.873 259 HB2 PRO 38 1HB PRO 38 2.346 -13.556 -6.712 260 HB3 PRO 38 2HB PRO 38 4.049 -13.056 -6.460 261 HG2 PRO 38 1HG PRO 38 2.208 -14.384 -4.426 262 HG3 PRO 38 2HG PRO 38 3.830 -14.967 -4.964 263 HD2 PRO 38 1HD PRO 38 3.646 -13.550 -2.755 264 HD3 PRO 38 2HD PRO 38 4.885 -13.079 -3.925 265 H ASN 39 H ASN 39 0.773 -12.369 -3.526 266 HA ASN 39 HA ASN 39 -1.507 -11.599 -5.289 267 HB2 ASN 39 1HB ASN 39 -1.230 -13.183 -2.757 268 HB3 ASN 39 2HB ASN 39 -2.553 -12.061 -2.799 269 HD21 ASN 39 1HD2 ASN 39 -1.106 -14.557 -4.870 270 HD22 ASN 39 2HD2 ASN 39 -2.646 -15.188 -5.401 271 H SER 40 H SER 40 0.511 -10.586 -2.569 272 HA SER 40 HA SER 40 -1.274 -8.234 -2.153 273 HB2 SER 40 1HB SER 40 0.143 -9.945 -0.102 274 HB3 SER 40 2HB SER 40 -0.835 -8.505 0.221 275 HG SER 40 HG SER 40 -1.884 -10.686 0.279 276 H GLN 41 H GLN 41 -0.205 -6.803 -3.373 277 HA GLN 41 HA GLN 41 2.540 -6.065 -3.035 278 HB2 GLN 41 1HB GLN 41 0.204 -4.347 -3.949 279 HB3 GLN 41 2HB GLN 41 1.920 -3.966 -4.068 280 HG2 GLN 41 1HG GLN 41 1.391 -4.703 -6.185 281 HG3 GLN 41 2HG GLN 41 2.202 -6.086 -5.456 282 HE21 GLN 41 1HE2 GLN 41 1.096 -8.083 -5.436 283 HE22 GLN 41 2HE2 GLN 41 -0.589 -8.244 -5.907 284 H TYR 42 H TYR 42 0.043 -6.026 -0.821 285 HA TYR 42 HA TYR 42 0.825 -3.842 0.913 286 HB2 TYR 42 1HB TYR 42 -0.613 -6.463 1.525 287 HB3 TYR 42 2HB TYR 42 -0.577 -5.094 2.592 288 HD1 TYR 42 2HD TYR 42 -1.110 -2.766 0.950 289 HD2 TYR 42 1HD TYR 42 -2.807 -6.723 0.687 290 HE1 TYR 42 2HE TYR 42 -3.126 -1.814 -0.098 291 HE2 TYR 42 1HE TYR 42 -4.813 -5.778 -0.367 292 HH TYR 42 HH TYR 42 -5.764 -3.931 -1.317 293 H TYR 43 H TYR 43 2.950 -3.829 1.217 294 HA TYR 43 HA TYR 43 4.769 -6.015 1.389 295 HB2 TYR 43 1HB TYR 43 4.836 -3.105 2.352 296 HB3 TYR 43 2HB TYR 43 6.194 -4.187 2.530 297 HD1 TYR 43 1HD TYR 43 4.097 -2.498 -0.019 298 HD2 TYR 43 2HD TYR 43 7.645 -4.752 0.791 299 HE1 TYR 43 1HE TYR 43 4.944 -1.930 -2.305 300 HE2 TYR 43 2HE TYR 43 8.428 -4.291 -1.467 301 HH TYR 43 HH TYR 43 8.278 -2.922 -3.236 302 H TYR 44 H TYR 44 5.899 -6.795 3.281 303 HA TYR 44 HA TYR 44 4.521 -6.400 5.905 304 HB2 TYR 44 1HB TYR 44 4.225 -8.605 5.250 305 HB3 TYR 44 2HB TYR 44 5.840 -8.769 4.630 306 HD1 TYR 44 1HD TYR 44 4.435 -7.590 7.952 307 HD2 TYR 44 2HD TYR 44 7.096 -10.283 5.865 308 HE1 TYR 44 1HE TYR 44 5.200 -8.561 10.109 309 HE2 TYR 44 2HE TYR 44 7.758 -11.321 8.018 310 HH TYR 44 HH TYR 44 7.374 -11.340 10.410 311 H ASN 45 H ASN 45 5.603 -5.079 7.134 312 HA ASN 45 HA ASN 45 8.540 -4.612 6.909 313 HB2 ASN 45 1HB ASN 45 7.179 -2.575 6.785 314 HB3 ASN 45 2HB ASN 45 6.290 -3.049 8.245 315 HD21 ASN 45 1HD2 ASN 45 6.939 -1.406 9.706 316 HD22 ASN 45 2HD2 ASN 45 8.612 -1.149 10.099 317 H ALA 46 H ALA 46 8.767 -6.793 7.769 318 HA ALA 46 HA ALA 46 7.788 -7.852 10.149 319 HB1 ALA 46 1HB ALA 46 9.310 -8.996 8.464 320 HB2 ALA 46 2HB ALA 46 10.662 -8.033 9.109 321 HB3 ALA 46 3HB ALA 46 9.832 -9.194 10.151 322 H GLN 47 H GLN 47 10.306 -5.406 9.642 323 HA GLN 47 HA GLN 47 11.689 -5.200 11.919 324 HB2 GLN 47 1HB GLN 47 11.348 -3.670 9.668 325 HB3 GLN 47 2HB GLN 47 10.639 -2.594 10.883 326 HG2 GLN 47 1HG GLN 47 12.734 -2.990 12.250 327 HG3 GLN 47 2HG GLN 47 13.376 -3.888 10.859 328 HE21 GLN 47 1HE2 GLN 47 13.155 -2.486 8.662 329 HE22 GLN 47 2HE2 GLN 47 13.702 -0.829 8.837 330 H SER 48 H SER 48 8.334 -4.039 11.527 331 HA SER 48 HA SER 48 8.107 -3.893 14.473 332 HB2 SER 48 1HB SER 48 7.036 -1.871 12.451 333 HB3 SER 48 2HB SER 48 6.777 -1.845 14.204 334 HG SER 48 HG SER 48 9.091 -1.800 14.420 335 H GLN 49 H GLN 49 7.476 -5.850 12.307 336 HA GLN 49 HA GLN 49 5.979 -6.958 11.171 337 HB2 GLN 49 1HB GLN 49 4.373 -6.788 13.749 338 HB3 GLN 49 2HB GLN 49 4.176 -8.004 12.477 339 HG2 GLN 49 1HG GLN 49 6.536 -8.746 12.836 340 HG3 GLN 49 2HG GLN 49 6.650 -7.624 14.197 341 HE21 GLN 49 1HE2 GLN 49 5.235 -7.966 16.070 342 HE22 GLN 49 2HE2 GLN 49 4.709 -9.613 16.447 343 H GLN 50 H GLN 50 5.599 -3.981 10.876 344 HA GLN 50 HA GLN 50 2.688 -3.676 10.646 345 HB2 GLN 50 1HB GLN 50 4.959 -1.776 9.971 346 HB3 GLN 50 2HB GLN 50 3.248 -1.390 9.770 347 HG2 GLN 50 1HG GLN 50 4.745 -1.823 12.354 348 HG3 GLN 50 2HG GLN 50 3.854 -0.408 11.822 349 HE21 GLN 50 1HE2 GLN 50 3.618 -3.617 13.194 350 HE22 GLN 50 2HE2 GLN 50 1.921 -3.651 13.566 351 H TYR 51 H TYR 51 1.782 -2.702 8.659 352 HA TYR 51 HA TYR 51 2.660 -4.286 6.306 353 HB2 TYR 51 1HB TYR 51 -0.105 -3.859 7.413 354 HB3 TYR 51 2HB TYR 51 0.172 -4.118 5.761 355 HD1 TYR 51 2HD TYR 51 1.596 -5.618 8.915 356 HD2 TYR 51 1HD TYR 51 -0.037 -6.338 5.014 357 HE1 TYR 51 2HE TYR 51 1.870 -8.030 9.289 358 HE2 TYR 51 1HE TYR 51 0.195 -8.784 5.373 359 HH TYR 51 HH TYR 51 1.310 -10.142 8.494 360 H LEU 52 H LEU 52 3.152 -2.923 4.573 361 HA LEU 52 HA LEU 52 2.282 -0.077 4.568 362 HB2 LEU 52 1HB LEU 52 4.937 -1.146 3.587 363 HB3 LEU 52 2HB LEU 52 4.475 0.520 3.686 364 HG LEU 52 HG LEU 52 4.783 -1.233 6.177 365 HD11 LEU 52 1HD1 LEU 52 6.891 -1.061 4.828 366 HD12 LEU 52 2HD1 LEU 52 7.001 -0.174 6.372 367 HD13 LEU 52 3HD1 LEU 52 6.713 0.716 4.857 368 HD21 LEU 52 3HD2 LEU 52 3.621 0.762 6.769 369 HD22 LEU 52 1HD2 LEU 52 4.678 1.756 5.697 370 HD23 LEU 52 2HD2 LEU 52 5.306 1.031 7.198 371 H TYR 53 H TYR 53 2.527 0.878 2.283 372 HA TYR 53 HA TYR 53 2.718 -1.108 0.162 373 HB2 TYR 53 1HB TYR 53 0.918 -0.433 -1.102 374 HB3 TYR 53 2HB TYR 53 0.298 -0.843 0.468 375 HD1 TYR 53 2HD TYR 53 0.035 1.340 2.174 376 HD2 TYR 53 1HD TYR 53 0.167 1.467 -2.150 377 HE1 TYR 53 2HE TYR 53 -1.052 3.457 2.258 378 HE2 TYR 53 1HE TYR 53 -0.912 3.667 -2.101 379 HH TYR 53 HH TYR 53 -1.241 5.497 -0.779 380 H TRP 54 H TRP 54 3.587 -0.247 -1.715 381 HA TRP 54 HA TRP 54 5.213 2.186 -1.523 382 HB2 TRP 54 1HB TRP 54 6.115 0.295 -2.738 383 HB3 TRP 54 2HB TRP 54 4.608 0.051 -3.617 384 HD1 TRP 54 HD TRP 54 4.815 0.734 -6.060 385 HE1 TRP 54 1HE TRP 54 6.053 2.487 -7.401 386 HE3 TRP 54 3HE TRP 54 7.376 2.922 -2.235 387 HZ2 TRP 54 2HZ TRP 54 7.890 4.728 -6.841 388 HZ3 TRP 54 3HZ TRP 54 8.822 4.834 -2.635 389 HH2 TRP 54 HH TRP 54 9.138 5.747 -4.948 390 H ASP 55 H ASP 55 4.398 4.219 -2.202 391 HA ASP 55 HA ASP 55 1.933 4.116 -3.885 392 HB2 ASP 55 1HB ASP 55 1.488 4.845 -1.488 393 HB3 ASP 55 2HB ASP 55 2.279 6.339 -1.873 394 H GLY 56 H GLY 56 2.990 4.316 -5.775 395 HA2 GLY 56 1HA GLY 56 5.184 5.960 -6.320 396 HA3 GLY 56 2HA GLY 56 4.035 5.329 -7.500 397 H GLU 57 H GLU 57 1.881 7.043 -5.681 398 HA GLU 57 HA GLU 57 1.985 9.359 -7.488 399 HB2 GLU 57 1HB GLU 57 0.400 8.803 -4.942 400 HB3 GLU 57 2HB GLU 57 0.168 10.199 -6.003 401 HG2 GLU 57 1HG GLU 57 -0.250 8.539 -7.903 402 HG3 GLU 57 2HG GLU 57 -0.372 7.290 -6.669 403 H ARG 58 H ARG 58 3.318 8.526 -4.419 404 HA ARG 58 HA ARG 58 4.226 11.297 -3.816 405 HB2 ARG 58 1HB ARG 58 3.010 9.086 -2.136 406 HB3 ARG 58 2HB ARG 58 3.721 10.551 -1.437 407 HG2 ARG 58 1HG ARG 58 2.065 11.910 -2.623 408 HG3 ARG 58 2HG ARG 58 1.398 10.501 -3.433 409 HD2 ARG 58 1HD ARG 58 0.661 9.488 -1.368 410 HD3 ARG 58 2HD ARG 58 1.398 10.790 -0.430 411 HE ARG 58 HE ARG 58 -0.424 12.075 -0.807 412 HH11 ARG 58 1HH1 ARG 58 -0.653 9.298 -3.028 413 HH12 ARG 58 2HH1 ARG 58 -1.998 9.890 -3.908 414 HH21 ARG 58 1HH2 ARG 58 -2.284 12.923 -2.021 415 HH22 ARG 58 2HH2 ARG 58 -3.036 11.859 -3.149 416 H ARG 59 H ARG 59 5.216 8.286 -4.626 417 HA ARG 59 HA ARG 59 7.077 7.068 -4.576 418 HB2 ARG 59 1HB ARG 59 8.512 9.734 -4.681 419 HB3 ARG 59 2HB ARG 59 9.145 8.180 -5.149 420 HG2 ARG 59 1HG ARG 59 8.620 9.052 -7.193 421 HG3 ARG 59 2HG ARG 59 7.232 8.003 -6.866 422 HD2 ARG 59 1HD ARG 59 5.914 10.037 -6.209 423 HD3 ARG 59 2HD ARG 59 7.351 11.042 -6.446 424 HE ARG 59 HE ARG 59 6.910 9.705 -8.871 425 HH11 ARG 59 1HH1 ARG 59 5.266 12.116 -6.852 426 HH12 ARG 59 2HH1 ARG 59 4.152 12.612 -8.088 427 HH21 ARG 59 1HH2 ARG 59 5.634 10.565 -10.609 428 HH22 ARG 59 2HH2 ARG 59 4.619 11.946 -10.306 429 H THR 60 H THR 60 6.136 6.971 -2.058 430 HA THR 60 HA THR 60 8.632 6.480 -0.675 431 HB THR 60 HB THR 60 8.013 8.728 0.075 432 HG1 THR 60 1HG THR 60 8.332 8.311 2.163 433 HG21 THR 60 3HG2 THR 60 5.640 8.887 0.000 434 HG22 THR 60 1HG2 THR 60 6.107 9.004 1.691 435 HG23 THR 60 2HG2 THR 60 5.415 7.474 1.059 436 H TYR 61 H TYR 61 7.587 5.436 1.585 437 HA TYR 61 HA TYR 61 5.582 3.375 0.737 438 HB2 TYR 61 1HB TYR 61 7.767 3.158 2.843 439 HB3 TYR 61 2HB TYR 61 6.478 1.990 2.598 440 HD1 TYR 61 1HD TYR 61 9.388 3.605 0.817 441 HD2 TYR 61 2HD TYR 61 6.756 0.179 1.071 442 HE1 TYR 61 1HE TYR 61 10.797 2.378 -0.807 443 HE2 TYR 61 2HE TYR 61 8.199 -1.042 -0.514 444 HH TYR 61 HH TYR 61 10.212 -1.011 -1.774 445 H VAL 62 H VAL 62 3.760 3.304 1.923 446 HA VAL 62 HA VAL 62 3.479 5.014 4.322 447 HB VAL 62 HB VAL 62 1.008 5.121 3.262 448 HG11 VAL 62 1HG1 VAL 62 2.393 7.014 4.061 449 HG12 VAL 62 2HG1 VAL 62 3.197 7.063 2.473 450 HG13 VAL 62 3HG1 VAL 62 1.443 7.374 2.624 451 HG21 VAL 62 3HG2 VAL 62 1.702 4.001 1.110 452 HG22 VAL 62 1HG2 VAL 62 0.983 5.603 0.906 453 HG23 VAL 62 2HG2 VAL 62 2.735 5.391 0.764 454 HA PRO 63 HA PRO 63 1.850 1.342 5.960 455 HB2 PRO 63 1HB PRO 63 -0.003 2.146 7.830 456 HB3 PRO 63 2HB PRO 63 1.774 2.359 7.988 457 HG2 PRO 63 1HG PRO 63 -0.282 4.386 7.041 458 HG3 PRO 63 2HG PRO 63 1.034 4.604 8.243 459 HD2 PRO 63 1HD PRO 63 1.310 5.360 5.642 460 HD3 PRO 63 2HD PRO 63 2.682 4.699 6.587 461 H ALA 64 H ALA 64 0.291 -0.203 5.549 462 HA ALA 64 HA ALA 64 -2.045 0.594 3.845 463 HB1 ALA 64 1HB ALA 64 -0.537 -2.028 3.779 464 HB2 ALA 64 2HB ALA 64 -1.807 -1.450 2.670 465 HB3 ALA 64 3HB ALA 64 -0.224 -0.663 2.690 466 H LEU 65 H LEU 65 -2.273 0.610 6.627 467 HA LEU 65 HA LEU 65 -3.054 -1.910 7.807 468 HB2 LEU 65 1HB LEU 65 -3.354 1.015 8.539 469 HB3 LEU 65 2HB LEU 65 -4.257 -0.168 9.438 470 HG LEU 65 HG LEU 65 -1.952 0.577 10.331 471 HD11 LEU 65 1HD1 LEU 65 -1.632 -1.627 11.399 472 HD12 LEU 65 2HD1 LEU 65 -2.681 -2.383 10.167 473 HD13 LEU 65 3HD1 LEU 65 -3.345 -1.195 11.310 474 HD21 LEU 65 3HD2 LEU 65 -0.021 -0.750 9.763 475 HD22 LEU 65 1HD2 LEU 65 -0.570 0.088 8.315 476 HD23 LEU 65 2HD2 LEU 65 -0.914 -1.638 8.515 477 H GLU 66 H GLU 66 -4.853 0.643 6.203 478 HA GLU 66 HA GLU 66 -6.971 -0.990 5.284 479 HB2 GLU 66 1HB GLU 66 -7.318 0.222 7.904 480 HB3 GLU 66 2HB GLU 66 -8.286 1.116 6.777 481 HG2 GLU 66 1HG GLU 66 -9.507 -0.869 6.082 482 HG3 GLU 66 2HG GLU 66 -8.404 -1.899 7.016 483 H GLN 67 H GLN 67 -8.101 0.446 3.690 484 HA GLN 67 HA GLN 67 -7.837 3.276 3.772 485 HB2 GLN 67 1HB GLN 67 -6.472 1.931 1.383 486 HB3 GLN 67 2HB GLN 67 -7.046 3.586 1.373 487 HG2 GLN 67 1HG GLN 67 -5.564 3.898 3.479 488 HG3 GLN 67 2HG GLN 67 -4.709 2.475 2.861 489 HE21 GLN 67 1HE2 GLN 67 -4.962 3.087 -0.021 490 HE22 GLN 67 2HE2 GLN 67 -3.915 4.467 -0.263 491 H SER 68 H SER 68 -9.868 0.850 3.514 492 HA SER 68 HA SER 68 -11.573 2.194 1.500 493 HB2 SER 68 1HB SER 68 -12.295 -0.276 0.949 494 HB3 SER 68 2HB SER 68 -11.037 0.586 0.061 495 HG SER 68 HG SER 68 -9.484 -0.483 1.414 496 H ALA 69 H ALA 69 -12.270 3.110 3.425 497 HA ALA 69 HA ALA 69 -13.641 3.471 5.144 498 HB1 ALA 69 1HB ALA 69 -15.662 2.258 5.505 499 HB2 ALA 69 2HB ALA 69 -15.427 2.333 3.755 500 HB3 ALA 69 3HB ALA 69 -15.064 0.832 4.646 501 H ASP 70 H ASP 70 -14.595 1.736 7.117 502 HA ASP 70 HA ASP 70 -12.236 0.562 8.442 503 HB2 ASP 70 1HB ASP 70 -11.921 2.931 8.795 504 HB3 ASP 70 2HB ASP 70 -13.647 3.163 9.110 505 H GLY 71 H GLY 71 -13.275 -1.359 9.371 506 HA2 GLY 71 1HA GLY 71 -15.242 -1.381 11.202 507 HA3 GLY 71 2HA GLY 71 -16.195 -1.216 9.728 508 H HIS 72 H HIS 72 -17.118 -3.222 10.492 509 HA HIS 72 HA HIS 72 -15.892 -5.454 11.145 510 HB2 HIS 72 1HB HIS 72 -17.895 -6.686 11.051 511 HB3 HIS 72 2HB HIS 72 -18.234 -5.031 11.557 512 HD1 HIS 72 1HD HIS 72 -19.484 -7.539 9.060 513 HD2 HIS 72 2HD HIS 72 -18.704 -3.439 9.304 514 HE1 HIS 72 1HE HIS 72 -20.882 -6.506 7.235 515 H LYS 73 H LYS 73 -15.172 -4.626 8.166 516 HA LYS 73 HA LYS 73 -15.633 -7.210 6.759 517 HB2 LYS 73 1HB LYS 73 -14.539 -4.506 5.869 518 HB3 LYS 73 2HB LYS 73 -14.617 -5.925 4.827 519 HG2 LYS 73 1HG LYS 73 -17.027 -6.041 4.989 520 HG3 LYS 73 2HG LYS 73 -17.099 -4.723 6.149 521 HD2 LYS 73 1HD LYS 73 -15.836 -4.375 3.412 522 HD3 LYS 73 2HD LYS 73 -17.572 -4.164 3.643 523 HE2 LYS 73 1HE LYS 73 -15.521 -2.725 5.370 524 HE3 LYS 73 2HE LYS 73 -16.054 -2.064 3.822 525 HZ1 LYS 73 3HZ LYS 73 -17.271 -1.582 6.085 526 HZ2 LYS 73 1HZ LYS 73 -18.210 -2.866 5.548 527 HZ3 LYS 73 2HZ LYS 73 -18.004 -1.523 4.618 528 H GLU 74 H GLU 74 -13.453 -7.619 5.344 529 HA GLU 74 HA GLU 74 -11.147 -8.012 7.066 530 HB2 GLU 74 1HB GLU 74 -11.222 -7.853 4.012 531 HB3 GLU 74 2HB GLU 74 -10.034 -8.637 5.046 532 HG2 GLU 74 1HG GLU 74 -11.104 -10.505 4.432 533 HG3 GLU 74 2HG GLU 74 -12.164 -10.106 5.786 534 H THR 75 H THR 75 -9.031 -6.993 6.048 535 HA THR 75 HA THR 75 -8.625 -4.407 6.663 536 HB THR 75 HB THR 75 -7.147 -5.507 4.316 537 HG1 THR 75 1HG THR 75 -7.278 -7.492 5.145 538 HG21 THR 75 3HG2 THR 75 -6.254 -4.706 7.122 539 HG22 THR 75 1HG2 THR 75 -6.225 -3.660 5.683 540 HG23 THR 75 2HG2 THR 75 -5.172 -5.078 5.766 541 H GLY 76 H GLY 76 -10.471 -5.323 3.877 542 HA2 GLY 76 1HA GLY 76 -10.702 -2.691 2.993 543 HA3 GLY 76 2HA GLY 76 -9.525 -3.528 1.948 544 H ALA 77 H ALA 77 -11.709 -2.621 0.711 545 HA ALA 77 HA ALA 77 -13.099 -4.997 -0.230 546 HB1 ALA 77 1HB ALA 77 -14.550 -2.615 1.014 547 HB2 ALA 77 2HB ALA 77 -15.347 -3.911 0.122 548 HB3 ALA 77 3HB ALA 77 -14.538 -4.273 1.653 549 HA PRO 78 HA PRO 78 -13.270 -2.163 -3.838 550 HB2 PRO 78 1HB PRO 78 -15.754 -2.758 -4.910 551 HB3 PRO 78 2HB PRO 78 -14.272 -3.685 -5.197 552 HG2 PRO 78 1HG PRO 78 -16.477 -4.249 -3.207 553 HG3 PRO 78 2HG PRO 78 -15.659 -5.406 -4.287 554 HD2 PRO 78 1HD PRO 78 -14.973 -5.162 -1.674 555 HD3 PRO 78 2HD PRO 78 -13.732 -5.457 -2.910 556 H SER 79 H SER 79 -13.487 -0.136 -3.292 557 HA SER 79 HA SER 79 -15.933 1.346 -2.997 558 HB2 SER 79 1HB SER 79 -15.327 2.151 -0.617 559 HB3 SER 79 2HB SER 79 -16.229 0.650 -0.822 560 HG SER 79 HG SER 79 -14.700 0.273 0.649 561 H LYS 80 H LYS 80 -14.158 1.550 -4.889 562 HA LYS 80 HA LYS 80 -13.405 4.322 -4.388 563 HB2 LYS 80 1HB LYS 80 -11.342 2.601 -3.989 564 HB3 LYS 80 2HB LYS 80 -11.210 2.794 -5.737 565 HG2 LYS 80 1HG LYS 80 -9.792 4.423 -4.687 566 HG3 LYS 80 2HG LYS 80 -11.174 5.314 -5.350 567 HD2 LYS 80 1HD LYS 80 -12.187 5.195 -2.980 568 HD3 LYS 80 2HD LYS 80 -10.629 4.551 -2.448 569 HE2 LYS 80 1HE LYS 80 -9.504 6.605 -3.146 570 HE3 LYS 80 2HE LYS 80 -10.970 7.174 -3.968 571 HZ1 LYS 80 3HZ LYS 80 -12.083 7.270 -1.853 572 HZ2 LYS 80 1HZ LYS 80 -10.736 8.205 -1.818 573 HZ3 LYS 80 2HZ LYS 80 -10.697 6.751 -1.062 574 H GLU 81 H GLU 81 -14.900 2.144 -6.330 575 HA GLU 81 HA GLU 81 -14.939 4.143 -8.515 576 HB2 GLU 81 1HB GLU 81 -13.498 2.142 -9.138 577 HB3 GLU 81 2HB GLU 81 -14.951 1.141 -9.021 578 HG2 GLU 81 1HG GLU 81 -16.028 2.634 -10.749 579 HG3 GLU 81 2HG GLU 81 -14.509 3.533 -10.862 580 H GLY 82 H GLY 82 -16.689 4.883 -7.116 581 HA2 GLY 82 1HA GLY 82 -18.972 5.230 -7.645 582 HA3 GLY 82 2HA GLY 82 -19.183 3.530 -7.990 583 H LYS 83 H LYS 83 -19.118 2.039 -6.203 584 HA LYS 83 HA LYS 83 -20.769 2.790 -4.025 585 HB2 LYS 83 1HB LYS 83 -20.308 0.497 -3.173 586 HB3 LYS 83 2HB LYS 83 -20.825 0.566 -4.850 587 HG2 LYS 83 1HG LYS 83 -18.674 0.049 -5.696 588 HG3 LYS 83 2HG LYS 83 -17.880 0.496 -4.185 589 HD2 LYS 83 1HD LYS 83 -17.747 -1.813 -4.299 590 HD3 LYS 83 2HD LYS 83 -18.948 -1.465 -3.069 591 HE2 LYS 83 1HE LYS 83 -19.571 -2.280 -5.954 592 HE3 LYS 83 2HE LYS 83 -19.362 -3.417 -4.629 593 HZ1 LYS 83 3HZ LYS 83 -21.543 -1.510 -4.984 594 HZ2 LYS 83 1HZ LYS 83 -21.224 -2.242 -3.494 595 HZ3 LYS 83 2HZ LYS 83 -21.570 -3.137 -4.805 596 H GLU 84 H GLU 84 -17.745 3.987 -4.207 597 HA GLU 84 HA GLU 84 -16.690 3.304 -1.665 598 HB2 GLU 84 1HB GLU 84 -15.121 4.863 -1.839 599 HB3 GLU 84 2HB GLU 84 -15.447 4.519 -3.538 600 HG2 GLU 84 1HG GLU 84 -16.546 6.657 -3.792 601 HG3 GLU 84 2HG GLU 84 -16.474 6.957 -2.038 602 H LYS 85 H LYS 85 -18.855 5.949 -2.793 603 HA LYS 85 HA LYS 85 -19.939 6.076 -0.027 604 HB2 LYS 85 1HB LYS 85 -18.397 8.141 -1.131 605 HB3 LYS 85 2HB LYS 85 -20.050 8.657 -1.450 606 HG2 LYS 85 1HG LYS 85 -19.508 9.521 0.722 607 HG3 LYS 85 2HG LYS 85 -20.566 8.130 1.015 608 HD2 LYS 85 1HD LYS 85 -18.228 6.812 1.094 609 HD3 LYS 85 2HD LYS 85 -17.574 8.390 1.386 610 HE2 LYS 85 1HE LYS 85 -19.779 7.006 2.997 611 HE3 LYS 85 2HE LYS 85 -18.060 6.984 3.406 612 HZ1 LYS 85 3HZ LYS 85 -18.237 9.492 3.469 613 HZ2 LYS 85 1HZ LYS 85 -18.933 8.630 4.699 614 HZ3 LYS 85 2HZ LYS 85 -19.900 9.259 3.546 615 H LYS 86 H LYS 86 -20.750 5.557 -3.231 616 HA LYS 86 HA LYS 86 -22.656 4.827 -4.092 617 HB2 LYS 86 1HB LYS 86 -24.229 5.388 -1.568 618 HB3 LYS 86 2HB LYS 86 -24.524 4.203 -2.822 619 HG2 LYS 86 1HG LYS 86 -22.270 3.112 -2.040 620 HG3 LYS 86 2HG LYS 86 -22.454 4.124 -0.604 621 HD2 LYS 86 1HD LYS 86 -24.343 1.952 -1.586 622 HD3 LYS 86 2HD LYS 86 -23.310 1.910 -0.157 623 HE2 LYS 86 1HE LYS 86 -24.616 3.865 0.778 624 HE3 LYS 86 2HE LYS 86 -25.706 3.734 -0.621 625 HZ1 LYS 86 3HZ LYS 86 -25.992 1.340 0.153 626 HZ2 LYS 86 1HZ LYS 86 -26.756 2.523 0.964 627 HZ3 LYS 86 2HZ LYS 86 -25.404 1.867 1.619 628 H GLU 87 H GLU 87 -25.028 5.620 -4.605 629 HA GLU 87 HA GLU 87 -24.707 8.458 -5.330 630 HB2 GLU 87 1HB GLU 87 -27.045 6.634 -6.071 631 HB3 GLU 87 2HB GLU 87 -26.640 8.216 -6.693 632 HG2 GLU 87 1HG GLU 87 -25.885 6.904 -8.400 633 HG3 GLU 87 2HG GLU 87 -24.404 7.146 -7.489 634 H LYS 88 H LYS 88 -27.414 6.517 -4.037 635 HA LYS 88 HA LYS 88 -29.334 7.166 -3.046 636 HB2 LYS 88 1HB LYS 88 -27.535 8.847 -1.270 637 HB3 LYS 88 2HB LYS 88 -29.207 8.455 -0.923 638 HG2 LYS 88 1HG LYS 88 -28.749 6.366 -0.188 639 HG3 LYS 88 2HG LYS 88 -27.551 6.042 -1.425 640 HD2 LYS 88 1HD LYS 88 -26.485 5.984 0.732 641 HD3 LYS 88 2HD LYS 88 -25.857 7.347 -0.202 642 HE2 LYS 88 1HE LYS 88 -28.117 8.309 1.281 643 HE3 LYS 88 2HE LYS 88 -27.203 7.296 2.396 644 HZ1 LYS 88 3HZ LYS 88 -26.518 9.617 2.407 645 HZ2 LYS 88 1HZ LYS 88 -26.061 9.518 0.811 646 HZ3 LYS 88 2HZ LYS 88 -25.256 8.650 1.930 647 H HIS 89 H HIS 89 -30.050 9.854 -2.023 648 HA HIS 89 HA HIS 89 -31.241 11.592 -2.863 649 HB2 HIS 89 1HB HIS 89 -28.595 12.193 -4.216 650 HB3 HIS 89 2HB HIS 89 -29.878 13.340 -3.871 651 HD1 HIS 89 1HD HIS 89 -29.684 14.543 -1.537 652 HD2 HIS 89 2HD HIS 89 -27.373 11.063 -1.989 653 HE1 HIS 89 1HE HIS 89 -28.270 14.351 0.573 654 H LYS 90 H LYS 90 -32.426 9.776 -4.246 655 HA LYS 90 HA LYS 90 -32.311 10.634 -7.104 656 HB2 LYS 90 1HB LYS 90 -31.542 8.231 -6.397 657 HB3 LYS 90 2HB LYS 90 -33.263 7.900 -6.230 658 HG2 LYS 90 1HG LYS 90 -32.817 9.206 -8.797 659 HG3 LYS 90 2HG LYS 90 -31.572 7.994 -8.583 660 HD2 LYS 90 1HD LYS 90 -33.307 6.931 -9.758 661 HD3 LYS 90 2HD LYS 90 -33.408 6.291 -8.107 662 HE2 LYS 90 1HE LYS 90 -35.265 7.831 -7.601 663 HE3 LYS 90 2HE LYS 90 -35.067 8.631 -9.153 664 HZ1 LYS 90 3HZ LYS 90 -36.898 7.122 -9.200 665 HZ2 LYS 90 1HZ LYS 90 -35.952 5.839 -8.785 666 HZ3 LYS 90 2HZ LYS 90 -35.742 6.591 -10.239 667 H THR 91 H THR 91 -34.204 11.118 -4.435 668 HA THR 91 HA THR 91 -36.767 10.708 -5.870 669 HB THR 91 HB THR 91 -36.663 11.203 -2.912 670 HG1 THR 91 1HG THR 91 -36.272 9.011 -2.537 671 HG21 THR 91 3HG2 THR 91 -38.838 10.800 -4.084 672 HG22 THR 91 1HG2 THR 91 -38.490 9.532 -2.914 673 HG23 THR 91 2HG2 THR 91 -38.236 9.227 -4.647 674 H LYS 92 H LYS 92 -38.462 12.461 -4.840 675 HA LYS 92 HA LYS 92 -37.248 15.023 -4.381 676 HB2 LYS 92 1HB LYS 92 -38.879 16.209 -5.680 677 HB3 LYS 92 2HB LYS 92 -38.061 15.097 -6.751 678 HG2 LYS 92 1HG LYS 92 -40.098 14.527 -7.491 679 HG3 LYS 92 2HG LYS 92 -40.259 13.568 -6.033 680 HD2 LYS 92 1HD LYS 92 -41.286 16.405 -6.506 681 HD3 LYS 92 2HD LYS 92 -42.250 14.920 -6.391 682 HE2 LYS 92 1HE LYS 92 -41.442 14.629 -4.027 683 HE3 LYS 92 2HE LYS 92 -40.586 16.160 -4.171 684 HZ1 LYS 92 3HZ LYS 92 -42.679 17.270 -4.451 685 HZ2 LYS 92 1HZ LYS 92 -42.589 16.430 -3.039 686 HZ3 LYS 92 2HZ LYS 92 -43.496 15.832 -4.276 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.827 27.061 12.039 2 HA2 GLY 1 1HA GLY 1 3.399 29.064 9.941 3 HA3 GLY 1 2HA GLY 1 4.580 28.624 11.201 4 H HIS 2 H HIS 2 4.335 28.216 8.075 5 HA HIS 2 HA HIS 2 4.868 25.273 8.013 6 HB2 HIS 2 1HB HIS 2 2.695 25.914 6.983 7 HB3 HIS 2 2HB HIS 2 3.568 26.920 5.834 8 HD1 HIS 2 1HD HIS 2 4.227 25.679 3.643 9 HD2 HIS 2 2HD HIS 2 3.455 23.151 6.934 10 HE1 HIS 2 1HE HIS 2 4.306 23.278 2.769 11 H MET 3 H MET 3 7.052 25.326 8.140 12 HA MET 3 HA MET 3 8.576 26.583 5.950 13 HB2 MET 3 1HB MET 3 10.147 27.685 7.446 14 HB3 MET 3 2HB MET 3 8.520 28.330 7.659 15 HG2 MET 3 1HG MET 3 8.227 26.926 9.691 16 HG3 MET 3 2HG MET 3 9.872 26.311 9.504 17 HE1 MET 3 3HE MET 3 12.126 29.304 10.442 18 HE2 MET 3 1HE MET 3 12.020 27.550 10.174 19 HE3 MET 3 2HE MET 3 11.740 28.679 8.825 20 H GLN 4 H GLN 4 7.976 23.831 7.690 21 HA GLN 4 HA GLN 4 10.486 22.672 6.692 22 HB2 GLN 4 1HB GLN 4 8.966 21.898 9.234 23 HB3 GLN 4 2HB GLN 4 9.983 20.782 8.336 24 HG2 GLN 4 1HG GLN 4 11.880 22.539 8.647 25 HG3 GLN 4 2HG GLN 4 10.850 23.192 9.935 26 HE21 GLN 4 1HE2 GLN 4 9.829 21.195 11.318 27 HE22 GLN 4 2HE2 GLN 4 10.877 19.812 11.513 28 H GLU 5 H GLU 5 9.992 20.614 5.688 29 HA GLU 5 HA GLU 5 7.172 19.851 5.571 30 HB2 GLU 5 1HB GLU 5 6.843 19.823 3.313 31 HB3 GLU 5 2HB GLU 5 7.329 21.452 3.784 32 HG2 GLU 5 1HG GLU 5 9.620 20.960 3.050 33 HG3 GLU 5 2HG GLU 5 9.109 19.340 2.558 34 H SER 6 H SER 6 10.234 18.815 6.136 35 HA SER 6 HA SER 6 11.075 16.720 6.412 36 HB2 SER 6 1HB SER 6 8.253 16.917 7.287 37 HB3 SER 6 2HB SER 6 8.803 15.258 7.119 38 HG SER 6 HG SER 6 10.298 15.520 8.557 39 H TYR 7 H TYR 7 11.694 16.561 4.064 40 HA TYR 7 HA TYR 7 9.859 15.332 2.203 41 HB2 TYR 7 1HB TYR 7 12.039 17.108 2.080 42 HB3 TYR 7 2HB TYR 7 12.746 15.618 1.502 43 HD1 TYR 7 2HD TYR 7 9.498 17.514 1.105 44 HD2 TYR 7 1HD TYR 7 12.779 15.504 -0.870 45 HE1 TYR 7 2HE TYR 7 8.537 18.110 -1.072 46 HE2 TYR 7 1HE TYR 7 11.806 16.093 -3.073 47 HH TYR 7 HH TYR 7 8.567 17.493 -3.344 48 H SER 8 H SER 8 11.045 13.542 0.752 49 HA SER 8 HA SER 8 11.812 11.407 0.572 50 HB2 SER 8 1HB SER 8 13.596 12.619 2.579 51 HB3 SER 8 2HB SER 8 13.471 10.862 2.731 52 HG SER 8 HG SER 8 14.348 10.586 0.849 53 H GLN 9 H GLN 9 9.596 11.021 0.879 54 HA GLN 9 HA GLN 9 8.290 10.369 3.312 55 HB2 GLN 9 1HB GLN 9 7.735 9.635 0.388 56 HB3 GLN 9 2HB GLN 9 6.715 9.136 1.740 57 HG2 GLN 9 1HG GLN 9 5.625 11.004 1.049 58 HG3 GLN 9 2HG GLN 9 6.594 11.616 2.387 59 HE21 GLN 9 1HE2 GLN 9 5.652 12.189 -0.745 60 HE22 GLN 9 2HE2 GLN 9 6.705 13.580 -0.940 61 H TYR 10 H TYR 10 9.120 8.067 0.687 62 HA TYR 10 HA TYR 10 9.820 6.071 2.800 63 HB2 TYR 10 1HB TYR 10 8.480 5.810 0.106 64 HB3 TYR 10 2HB TYR 10 9.281 4.447 0.833 65 HD1 TYR 10 2HD TYR 10 8.474 3.367 2.863 66 HD2 TYR 10 1HD TYR 10 6.385 6.727 1.144 67 HE1 TYR 10 2HE TYR 10 6.481 2.827 4.240 68 HE2 TYR 10 1HE TYR 10 4.387 6.164 2.475 69 HH TYR 10 HH TYR 10 3.608 4.928 4.264 70 HA PRO 11 HA PRO 11 13.873 5.664 0.941 71 HB2 PRO 11 1HB PRO 11 14.501 3.061 1.578 72 HB3 PRO 11 2HB PRO 11 14.416 4.383 2.776 73 HG2 PRO 11 1HG PRO 11 12.336 2.285 2.135 74 HG3 PRO 11 2HG PRO 11 12.862 2.876 3.739 75 HD2 PRO 11 1HD PRO 11 10.612 3.764 2.505 76 HD3 PRO 11 2HD PRO 11 11.586 4.774 3.593 77 H VAL 12 H VAL 12 15.122 3.888 -0.479 78 HA VAL 12 HA VAL 12 13.403 3.245 -2.805 79 HB VAL 12 HB VAL 12 16.348 3.928 -2.829 80 HG11 VAL 12 1HG1 VAL 12 15.647 2.424 -4.688 81 HG12 VAL 12 2HG1 VAL 12 14.309 3.536 -5.068 82 HG13 VAL 12 3HG1 VAL 12 16.000 4.056 -5.272 83 HG21 VAL 12 3HG2 VAL 12 14.993 5.879 -2.230 84 HG22 VAL 12 1HG2 VAL 12 15.528 6.015 -3.913 85 HG23 VAL 12 2HG2 VAL 12 13.861 5.496 -3.561 86 HA PRO 13 HA PRO 13 14.770 -0.951 -1.447 87 HB2 PRO 13 1HB PRO 13 12.594 -2.302 -2.192 88 HB3 PRO 13 2HB PRO 13 12.554 -1.261 -0.712 89 HG2 PRO 13 1HG PRO 13 11.580 -0.536 -3.503 90 HG3 PRO 13 2HG PRO 13 10.676 -0.422 -1.967 91 HD2 PRO 13 1HD PRO 13 12.064 1.679 -3.020 92 HD3 PRO 13 2HD PRO 13 11.953 1.428 -1.251 93 H ASP 14 H ASP 14 15.185 -2.829 -2.941 94 HA ASP 14 HA ASP 14 15.092 -2.327 -5.845 95 HB2 ASP 14 1HB ASP 14 16.987 -0.878 -4.778 96 HB3 ASP 14 2HB ASP 14 17.730 -2.379 -4.297 97 H VAL 15 H VAL 15 14.118 -4.333 -4.273 98 HA VAL 15 HA VAL 15 14.170 -6.280 -3.205 99 HB VAL 15 HB VAL 15 13.175 -6.775 -5.173 100 HG11 VAL 15 1HG1 VAL 15 14.767 -6.057 -6.842 101 HG12 VAL 15 2HG1 VAL 15 15.900 -7.362 -6.391 102 HG13 VAL 15 3HG1 VAL 15 14.330 -7.732 -7.185 103 HG21 VAL 15 3HG2 VAL 15 13.455 -8.693 -3.765 104 HG22 VAL 15 1HG2 VAL 15 13.394 -9.147 -5.471 105 HG23 VAL 15 2HG2 VAL 15 14.954 -9.143 -4.616 106 H SER 16 H SER 16 17.279 -5.508 -4.164 107 HA SER 16 HA SER 16 18.750 -7.825 -3.441 108 HB2 SER 16 1HB SER 16 20.634 -6.018 -3.515 109 HB3 SER 16 2HB SER 16 19.764 -6.432 -4.989 110 HG SER 16 HG SER 16 18.577 -4.574 -4.850 111 H THR 17 H THR 17 17.314 -5.301 -1.451 112 HA THR 17 HA THR 17 19.162 -5.854 0.779 113 HB THR 17 HB THR 17 18.037 -4.154 1.924 114 HG1 THR 17 1HG THR 17 16.033 -3.446 1.425 115 HG21 THR 17 3HG2 THR 17 17.986 -2.212 0.440 116 HG22 THR 17 1HG2 THR 17 17.968 -3.192 -1.007 117 HG23 THR 17 2HG2 THR 17 19.397 -3.213 0.057 118 H TYR 18 H TYR 18 16.338 -7.317 -0.612 119 HA TYR 18 HA TYR 18 14.799 -7.504 1.738 120 HB2 TYR 18 1HB TYR 18 14.603 -8.967 -0.921 121 HB3 TYR 18 2HB TYR 18 13.454 -9.148 0.394 122 HD1 TYR 18 1HD TYR 18 14.291 -5.744 0.649 123 HD2 TYR 18 2HD TYR 18 12.231 -8.518 -1.973 124 HE1 TYR 18 1HE TYR 18 12.964 -3.928 -0.265 125 HE2 TYR 18 2HE TYR 18 10.890 -6.652 -2.869 126 HH TYR 18 HH TYR 18 10.820 -3.603 -1.037 127 H GLN 19 H GLN 19 14.119 -9.221 2.844 128 HA GLN 19 HA GLN 19 16.124 -11.393 3.362 129 HB2 GLN 19 1HB GLN 19 13.775 -10.335 4.977 130 HB3 GLN 19 2HB GLN 19 14.659 -11.830 5.369 131 HG2 GLN 19 1HG GLN 19 16.763 -10.538 5.455 132 HG3 GLN 19 2HG GLN 19 15.881 -9.040 5.178 133 HE21 GLN 19 1HE2 GLN 19 17.341 -10.788 7.527 134 HE22 GLN 19 2HE2 GLN 19 16.449 -10.230 8.935 135 H TYR 20 H TYR 20 15.731 -12.855 1.706 136 HA TYR 20 HA TYR 20 13.066 -13.780 0.984 137 HB2 TYR 20 1HB TYR 20 15.020 -14.226 -0.398 138 HB3 TYR 20 2HB TYR 20 15.808 -15.086 0.937 139 HD1 TYR 20 1HD TYR 20 12.764 -15.120 -1.266 140 HD2 TYR 20 2HD TYR 20 15.435 -17.433 1.240 141 HE1 TYR 20 1HE TYR 20 11.748 -17.208 -2.118 142 HE2 TYR 20 2HE TYR 20 14.482 -19.503 0.330 143 HH TYR 20 HH TYR 20 11.953 -19.577 -2.157 144 H ASP 21 H ASP 21 11.922 -15.421 1.997 145 HA ASP 21 HA ASP 21 12.806 -16.361 4.687 146 HB2 ASP 21 1HB ASP 21 10.411 -14.768 3.900 147 HB3 ASP 21 2HB ASP 21 10.077 -16.164 4.907 148 H GLU 22 H GLU 22 13.442 -18.294 3.802 149 HA GLU 22 HA GLU 22 12.252 -19.611 1.631 150 HB2 GLU 22 1HB GLU 22 13.393 -21.705 2.564 151 HB3 GLU 22 2HB GLU 22 14.395 -20.347 2.111 152 HG2 GLU 22 1HG GLU 22 15.045 -19.802 4.095 153 HG3 GLU 22 2HG GLU 22 13.616 -20.461 4.951 154 H THR 23 H THR 23 11.295 -19.776 4.998 155 HA THR 23 HA THR 23 9.815 -22.055 5.204 156 HB THR 23 HB THR 23 10.276 -20.571 7.000 157 HG1 THR 23 1HG THR 23 7.817 -20.257 7.567 158 HG21 THR 23 3HG2 THR 23 8.202 -18.591 5.977 159 HG22 THR 23 1HG2 THR 23 9.965 -18.367 5.847 160 HG23 THR 23 2HG2 THR 23 9.221 -18.465 7.427 161 H SER 24 H SER 24 8.503 -18.966 3.851 162 HA SER 24 HA SER 24 6.316 -20.525 2.548 163 HB2 SER 24 1HB SER 24 6.798 -17.530 2.492 164 HB3 SER 24 2HB SER 24 5.393 -18.409 1.886 165 HG SER 24 HG SER 24 4.843 -17.639 3.803 166 H GLY 25 H GLY 25 9.291 -18.620 1.829 167 HA2 GLY 25 1HA GLY 25 10.587 -18.665 -0.034 168 HA3 GLY 25 2HA GLY 25 9.468 -19.743 -0.878 169 H TYR 26 H TYR 26 9.435 -16.501 0.601 170 HA TYR 26 HA TYR 26 8.688 -15.066 -1.837 171 HB2 TYR 26 1HB TYR 26 7.075 -15.128 0.739 172 HB3 TYR 26 2HB TYR 26 7.160 -13.679 -0.218 173 HD1 TYR 26 1HD TYR 26 6.223 -17.289 -0.388 174 HD2 TYR 26 2HD TYR 26 5.908 -13.414 -2.173 175 HE1 TYR 26 1HE TYR 26 4.417 -18.137 -1.859 176 HE2 TYR 26 2HE TYR 26 3.939 -14.213 -3.558 177 HH TYR 26 HH TYR 26 2.331 -15.947 -3.669 178 H TYR 27 H TYR 27 9.027 -12.602 -1.167 179 HA TYR 27 HA TYR 27 11.478 -12.461 0.534 180 HB2 TYR 27 1HB TYR 27 10.354 -10.683 -1.658 181 HB3 TYR 27 2HB TYR 27 11.696 -10.231 -0.624 182 HD1 TYR 27 2HD TYR 27 10.626 -12.566 -3.298 183 HD2 TYR 27 1HD TYR 27 13.896 -11.219 -0.826 184 HE1 TYR 27 2HE TYR 27 12.231 -13.661 -4.831 185 HE2 TYR 27 1HE TYR 27 15.503 -12.245 -2.367 186 HH TYR 27 HH TYR 27 14.918 -14.503 -4.574 187 H TYR 28 H TYR 28 11.630 -10.874 2.130 188 HA TYR 28 HA TYR 28 9.232 -9.315 2.894 189 HB2 TYR 28 1HB TYR 28 9.658 -11.026 4.521 190 HB3 TYR 28 2HB TYR 28 11.384 -10.748 4.491 191 HD1 TYR 28 2HD TYR 28 8.212 -8.842 5.209 192 HD2 TYR 28 1HD TYR 28 12.325 -9.557 6.251 193 HE1 TYR 28 2HE TYR 28 8.029 -7.206 7.045 194 HE2 TYR 28 1HE TYR 28 12.215 -7.887 7.984 195 HH TYR 28 HH TYR 28 10.982 -6.270 8.978 196 H ASP 29 H ASP 29 9.614 -7.161 3.279 197 HA ASP 29 HA ASP 29 12.183 -5.962 2.400 198 HB2 ASP 29 1HB ASP 29 10.188 -5.473 1.138 199 HB3 ASP 29 2HB ASP 29 9.414 -4.732 2.526 200 HA PRO 30 HA PRO 30 12.078 -5.380 6.998 201 HB2 PRO 30 1HB PRO 30 14.786 -4.961 7.361 202 HB3 PRO 30 2HB PRO 30 14.025 -6.586 7.279 203 HG2 PRO 30 1HG PRO 30 15.403 -5.039 5.067 204 HG3 PRO 30 2HG PRO 30 15.614 -6.763 5.513 205 HD2 PRO 30 1HD PRO 30 14.010 -6.021 3.464 206 HD3 PRO 30 2HD PRO 30 13.501 -7.344 4.554 207 H GLN 31 H GLN 31 12.974 -3.278 4.425 208 HA GLN 31 HA GLN 31 13.834 -1.026 6.008 209 HB2 GLN 31 1HB GLN 31 14.173 -1.821 3.471 210 HB3 GLN 31 2HB GLN 31 12.730 -0.821 3.218 211 HG2 GLN 31 1HG GLN 31 14.012 1.105 4.187 212 HG3 GLN 31 2HG GLN 31 15.380 0.040 4.468 213 HE21 GLN 31 1HE2 GLN 31 13.220 0.334 1.506 214 HE22 GLN 31 2HE2 GLN 31 14.609 0.632 0.450 215 H THR 32 H THR 32 10.791 -2.454 5.276 216 HA THR 32 HA THR 32 9.243 -0.033 6.076 217 HB THR 32 HB THR 32 7.619 -0.957 4.239 218 HG1 THR 32 1HG THR 32 10.043 -1.843 3.072 219 HG21 THR 32 3HG2 THR 32 9.938 0.898 3.979 220 HG22 THR 32 1HG2 THR 32 8.219 1.116 3.612 221 HG23 THR 32 2HG2 THR 32 9.289 0.293 2.459 222 H GLY 33 H GLY 33 9.207 -3.567 5.414 223 HA2 GLY 33 1HA GLY 33 8.445 -5.143 6.993 224 HA3 GLY 33 2HA GLY 33 7.407 -3.947 7.764 225 H LEU 34 H LEU 34 7.918 -4.851 4.327 226 HA LEU 34 HA LEU 34 5.081 -5.687 3.998 227 HB2 LEU 34 1HB LEU 34 6.955 -4.337 2.011 228 HB3 LEU 34 2HB LEU 34 5.353 -4.916 1.626 229 HG LEU 34 HG LEU 34 5.710 -2.786 3.780 230 HD11 LEU 34 1HD1 LEU 34 5.828 -2.411 0.785 231 HD12 LEU 34 2HD1 LEU 34 6.937 -1.843 2.014 232 HD13 LEU 34 3HD1 LEU 34 5.328 -1.106 1.909 233 HD21 LEU 34 3HD2 LEU 34 3.524 -3.741 3.648 234 HD22 LEU 34 1HD2 LEU 34 3.442 -3.577 1.898 235 HD23 LEU 34 2HD2 LEU 34 3.431 -2.130 2.950 236 H TYR 35 H TYR 35 5.064 -7.244 1.970 237 HA TYR 35 HA TYR 35 7.611 -8.765 1.750 238 HB2 TYR 35 1HB TYR 35 4.782 -9.758 1.928 239 HB3 TYR 35 2HB TYR 35 5.967 -10.667 1.027 240 HD1 TYR 35 2HD TYR 35 5.387 -9.185 4.431 241 HD2 TYR 35 1HD TYR 35 7.287 -12.281 2.117 242 HE1 TYR 35 2HE TYR 35 6.086 -10.279 6.500 243 HE2 TYR 35 1HE TYR 35 7.982 -13.431 4.167 244 HH TYR 35 HH TYR 35 8.365 -13.071 6.509 245 H TYR 36 H TYR 36 7.720 -9.903 -0.396 246 HA TYR 36 HA TYR 36 6.356 -8.554 -2.631 247 HB2 TYR 36 1HB TYR 36 8.275 -7.126 -2.280 248 HB3 TYR 36 2HB TYR 36 9.344 -8.506 -2.091 249 HD1 TYR 36 2HD TYR 36 7.389 -6.507 -4.558 250 HD2 TYR 36 1HD TYR 36 10.346 -9.602 -3.988 251 HE1 TYR 36 2HE TYR 36 7.978 -6.364 -6.957 252 HE2 TYR 36 1HE TYR 36 10.932 -9.486 -6.387 253 HH TYR 36 HH TYR 36 10.350 -8.613 -8.491 254 H ASP 37 H ASP 37 6.681 -9.730 -4.671 255 HA ASP 37 HA ASP 37 7.673 -12.527 -4.404 256 HB2 ASP 37 1HB ASP 37 5.199 -12.530 -4.331 257 HB3 ASP 37 2HB ASP 37 5.160 -11.603 -5.837 258 HA PRO 38 HA PRO 38 9.805 -11.266 -8.095 259 HB2 PRO 38 1HB PRO 38 10.675 -13.702 -9.092 260 HB3 PRO 38 2HB PRO 38 11.361 -12.896 -7.648 261 HG2 PRO 38 1HG PRO 38 9.159 -15.002 -7.719 262 HG3 PRO 38 2HG PRO 38 10.656 -15.026 -6.720 263 HD2 PRO 38 1HD PRO 38 8.399 -14.171 -5.654 264 HD3 PRO 38 2HD PRO 38 9.883 -13.223 -5.389 265 H ASN 39 H ASN 39 7.144 -13.703 -8.552 266 HA ASN 39 HA ASN 39 7.081 -13.270 -11.465 267 HB2 ASN 39 1HB ASN 39 5.527 -14.905 -9.440 268 HB3 ASN 39 2HB ASN 39 4.798 -14.486 -10.951 269 HD21 ASN 39 1HD2 ASN 39 7.341 -16.391 -9.454 270 HD22 ASN 39 2HD2 ASN 39 7.561 -17.447 -10.848 271 H SER 40 H SER 40 5.819 -11.998 -8.511 272 HA SER 40 HA SER 40 3.602 -10.546 -9.877 273 HB2 SER 40 1HB SER 40 3.295 -11.542 -7.068 274 HB3 SER 40 2HB SER 40 2.122 -11.364 -8.362 275 HG SER 40 HG SER 40 4.132 -13.341 -8.021 276 H GLN 41 H GLN 41 4.844 -8.636 -9.970 277 HA GLN 41 HA GLN 41 6.248 -7.443 -7.844 278 HB2 GLN 41 1HB GLN 41 5.066 -6.289 -10.370 279 HB3 GLN 41 2HB GLN 41 5.940 -5.317 -9.176 280 HG2 GLN 41 1HG GLN 41 7.421 -5.934 -10.932 281 HG3 GLN 41 2HG GLN 41 7.939 -6.575 -9.399 282 HE21 GLN 41 1HE2 GLN 41 8.258 -8.784 -9.203 283 HE22 GLN 41 2HE2 GLN 41 8.041 -9.932 -10.500 284 H TYR 42 H TYR 42 3.013 -7.967 -7.597 285 HA TYR 42 HA TYR 42 2.187 -5.389 -6.427 286 HB2 TYR 42 1HB TYR 42 0.761 -8.068 -6.529 287 HB3 TYR 42 2HB TYR 42 0.088 -6.530 -5.977 288 HD1 TYR 42 1HD TYR 42 0.346 -4.518 -7.714 289 HD2 TYR 42 2HD TYR 42 0.356 -8.691 -8.790 290 HE1 TYR 42 1HE TYR 42 -0.333 -3.911 -10.005 291 HE2 TYR 42 2HE TYR 42 -0.317 -8.096 -11.107 292 HH TYR 42 HH TYR 42 -1.213 -6.328 -12.455 293 H TYR 43 H TYR 43 2.873 -4.922 -4.479 294 HA TYR 43 HA TYR 43 4.440 -6.692 -2.822 295 HB2 TYR 43 1HB TYR 43 3.322 -3.864 -2.602 296 HB3 TYR 43 2HB TYR 43 4.062 -4.656 -1.228 297 HD1 TYR 43 1HD TYR 43 4.942 -4.039 -4.902 298 HD2 TYR 43 2HD TYR 43 6.244 -4.281 -0.797 299 HE1 TYR 43 1HE TYR 43 7.224 -3.447 -5.589 300 HE2 TYR 43 2HE TYR 43 8.534 -3.784 -1.479 301 HH TYR 43 HH TYR 43 9.999 -3.594 -3.349 302 H TYR 44 H TYR 44 3.910 -7.494 -0.756 303 HA TYR 44 HA TYR 44 0.974 -7.798 -0.274 304 HB2 TYR 44 1HB TYR 44 1.987 -9.901 -0.622 305 HB3 TYR 44 2HB TYR 44 3.268 -9.581 0.519 306 HD1 TYR 44 2HD TYR 44 -0.477 -9.764 0.252 307 HD2 TYR 44 1HD TYR 44 2.948 -10.354 2.803 308 HE1 TYR 44 2HE TYR 44 -1.914 -10.886 1.918 309 HE2 TYR 44 1HE TYR 44 1.528 -11.387 4.505 310 HH TYR 44 HH TYR 44 -0.534 -12.466 4.799 311 H ASN 45 H ASN 45 0.267 -6.552 1.147 312 HA ASN 45 HA ASN 45 1.933 -5.214 3.202 313 HB2 ASN 45 1HB ASN 45 0.370 -3.916 1.813 314 HB3 ASN 45 2HB ASN 45 -0.975 -4.910 2.363 315 HD21 ASN 45 1HD2 ASN 45 -2.184 -3.380 3.537 316 HD22 ASN 45 2HD2 ASN 45 -1.496 -2.439 4.841 317 H ALA 46 H ALA 46 2.352 -7.281 4.356 318 HA ALA 46 HA ALA 46 0.578 -9.091 5.431 319 HB1 ALA 46 1HB ALA 46 2.978 -7.742 6.730 320 HB2 ALA 46 2HB ALA 46 2.234 -9.256 7.282 321 HB3 ALA 46 3HB ALA 46 3.031 -9.183 5.688 322 H GLN 47 H GLN 47 1.271 -5.821 6.523 323 HA GLN 47 HA GLN 47 0.187 -5.540 8.968 324 HB2 GLN 47 1HB GLN 47 1.091 -3.861 6.969 325 HB3 GLN 47 2HB GLN 47 -0.631 -3.411 6.971 326 HG2 GLN 47 1HG GLN 47 -0.414 -3.023 9.402 327 HG3 GLN 47 2HG GLN 47 1.296 -3.449 9.314 328 HE21 GLN 47 1HE2 GLN 47 2.732 -1.695 9.029 329 HE22 GLN 47 2HE2 GLN 47 2.272 -0.146 8.375 330 H SER 48 H SER 48 -1.710 -5.614 5.945 331 HA SER 48 HA SER 48 -4.161 -6.085 7.491 332 HB2 SER 48 1HB SER 48 -3.758 -4.001 5.352 333 HB3 SER 48 2HB SER 48 -5.373 -4.662 5.635 334 HG SER 48 HG SER 48 -5.216 -2.916 6.969 335 H GLN 49 H GLN 49 -2.168 -7.753 5.954 336 HA GLN 49 HA GLN 49 -1.972 -9.288 4.325 337 HB2 GLN 49 1HB GLN 49 -4.929 -9.694 4.800 338 HB3 GLN 49 2HB GLN 49 -3.811 -10.903 4.180 339 HG2 GLN 49 1HG GLN 49 -2.742 -11.157 6.325 340 HG3 GLN 49 2HG GLN 49 -3.557 -9.736 6.990 341 HE21 GLN 49 1HE2 GLN 49 -3.760 -13.101 7.063 342 HE22 GLN 49 2HE2 GLN 49 -5.511 -13.183 7.339 343 H GLN 50 H GLN 50 -2.528 -6.629 3.302 344 HA GLN 50 HA GLN 50 -4.462 -6.993 1.108 345 HB2 GLN 50 1HB GLN 50 -3.971 -4.907 2.897 346 HB3 GLN 50 2HB GLN 50 -3.140 -4.346 1.457 347 HG2 GLN 50 1HG GLN 50 -5.516 -3.590 1.656 348 HG3 GLN 50 2HG GLN 50 -5.181 -4.448 0.158 349 HE21 GLN 50 1HE2 GLN 50 -5.857 -5.738 3.496 350 HE22 GLN 50 2HE2 GLN 50 -7.123 -6.767 2.977 351 H TYR 51 H TYR 51 -3.840 -5.878 -1.038 352 HA TYR 51 HA TYR 51 -0.966 -6.390 -1.686 353 HB2 TYR 51 1HB TYR 51 -3.515 -6.549 -3.337 354 HB3 TYR 51 2HB TYR 51 -1.980 -6.200 -4.093 355 HD1 TYR 51 2HD TYR 51 -2.627 -8.713 -1.319 356 HD2 TYR 51 1HD TYR 51 -1.608 -8.025 -5.455 357 HE1 TYR 51 2HE TYR 51 -2.016 -11.074 -1.546 358 HE2 TYR 51 1HE TYR 51 -0.978 -10.378 -5.703 359 HH TYR 51 HH TYR 51 -0.660 -12.472 -2.917 360 H LEU 52 H LEU 52 0.142 -4.764 -2.708 361 HA LEU 52 HA LEU 52 -1.064 -2.106 -3.183 362 HB2 LEU 52 1HB LEU 52 1.362 -2.654 -1.443 363 HB3 LEU 52 2HB LEU 52 0.802 -1.055 -1.895 364 HG LEU 52 HG LEU 52 -0.672 -3.011 -0.074 365 HD11 LEU 52 1HD1 LEU 52 0.829 -0.444 0.546 366 HD12 LEU 52 2HD1 LEU 52 1.351 -2.104 0.926 367 HD13 LEU 52 3HD1 LEU 52 -0.090 -1.434 1.710 368 HD21 LEU 52 3HD2 LEU 52 -2.059 -1.044 0.578 369 HD22 LEU 52 1HD2 LEU 52 -2.343 -1.578 -1.065 370 HD23 LEU 52 2HD2 LEU 52 -1.347 -0.123 -0.777 371 H TYR 53 H TYR 53 0.971 -0.712 -4.123 372 HA TYR 53 HA TYR 53 2.988 -2.432 -5.396 373 HB2 TYR 53 1HB TYR 53 2.822 -1.437 -7.523 374 HB3 TYR 53 2HB TYR 53 1.251 -2.073 -7.126 375 HD1 TYR 53 1HD TYR 53 -0.559 -0.207 -6.212 376 HD2 TYR 53 2HD TYR 53 3.040 0.653 -8.461 377 HE1 TYR 53 1HE TYR 53 -1.484 1.906 -6.814 378 HE2 TYR 53 2HE TYR 53 2.082 2.816 -9.131 379 HH TYR 53 HH TYR 53 0.535 4.455 -8.341 380 H TRP 54 H TRP 54 5.006 -1.373 -5.653 381 HA TRP 54 HA TRP 54 5.488 1.086 -4.093 382 HB2 TRP 54 1HB TRP 54 7.177 -0.706 -4.043 383 HB3 TRP 54 2HB TRP 54 7.255 -0.745 -5.787 384 HD1 TRP 54 HD TRP 54 9.314 0.396 -6.738 385 HE1 TRP 54 1HE TRP 54 10.929 2.233 -6.073 386 HE3 TRP 54 3HE TRP 54 7.127 1.774 -2.331 387 HZ2 TRP 54 2HZ TRP 54 11.074 4.287 -4.048 388 HZ3 TRP 54 3HZ TRP 54 7.985 3.686 -1.060 389 HH2 TRP 54 HH TRP 54 9.941 4.994 -1.918 390 H ASP 55 H ASP 55 5.474 3.094 -5.095 391 HA ASP 55 HA ASP 55 5.161 3.198 -8.078 392 HB2 ASP 55 1HB ASP 55 3.051 3.428 -6.843 393 HB3 ASP 55 2HB ASP 55 3.665 4.827 -5.979 394 H GLY 56 H GLY 56 7.485 3.535 -8.007 395 HA2 GLY 56 1HA GLY 56 8.838 5.496 -6.586 396 HA3 GLY 56 2HA GLY 56 9.346 4.805 -8.116 397 H GLU 57 H GLU 57 6.378 6.141 -8.891 398 HA GLU 57 HA GLU 57 7.441 8.587 -10.077 399 HB2 GLU 57 1HB GLU 57 4.614 7.614 -9.551 400 HB3 GLU 57 2HB GLU 57 5.028 8.972 -10.570 401 HG2 GLU 57 1HG GLU 57 6.063 6.148 -11.148 402 HG3 GLU 57 2HG GLU 57 4.524 6.719 -11.708 403 H ARG 58 H ARG 58 5.833 7.567 -7.109 404 HA ARG 58 HA ARG 58 5.733 10.350 -6.037 405 HB2 ARG 58 1HB ARG 58 3.996 7.888 -5.565 406 HB3 ARG 58 2HB ARG 58 3.911 9.353 -4.575 407 HG2 ARG 58 1HG ARG 58 3.381 10.688 -6.577 408 HG3 ARG 58 2HG ARG 58 3.381 9.226 -7.578 409 HD2 ARG 58 1HD ARG 58 1.545 8.287 -6.385 410 HD3 ARG 58 2HD ARG 58 1.612 9.527 -5.121 411 HE ARG 58 HE ARG 58 1.092 11.191 -6.982 412 HH11 ARG 58 1HH1 ARG 58 -0.274 7.908 -6.808 413 HH12 ARG 58 2HH1 ARG 58 -1.733 8.301 -7.618 414 HH21 ARG 58 1HH2 ARG 58 -0.849 11.684 -8.235 415 HH22 ARG 58 2HH2 ARG 58 -1.937 10.374 -8.605 416 H ARG 59 H ARG 59 7.165 7.235 -5.534 417 HA ARG 59 HA ARG 59 8.489 6.367 -3.898 418 HB2 ARG 59 1HB ARG 59 8.795 9.130 -2.778 419 HB3 ARG 59 2HB ARG 59 9.717 7.719 -2.339 420 HG2 ARG 59 1HG ARG 59 10.692 7.519 -4.562 421 HG3 ARG 59 2HG ARG 59 9.684 8.850 -5.173 422 HD2 ARG 59 1HD ARG 59 10.643 10.361 -3.398 423 HD3 ARG 59 2HD ARG 59 11.740 9.060 -2.910 424 HE ARG 59 HE ARG 59 11.735 10.086 -5.700 425 HH11 ARG 59 1HH1 ARG 59 13.437 10.090 -2.571 426 HH12 ARG 59 2HH1 ARG 59 14.788 10.999 -3.159 427 HH21 ARG 59 1HH2 ARG 59 13.436 11.240 -6.450 428 HH22 ARG 59 2HH2 ARG 59 14.846 11.580 -5.455 429 H THR 60 H THR 60 6.125 5.582 -3.514 430 HA THR 60 HA THR 60 5.847 5.510 -0.676 431 HB THR 60 HB THR 60 4.619 7.615 -1.294 432 HG1 THR 60 1HG THR 60 2.557 6.358 -0.212 433 HG21 THR 60 3HG2 THR 60 3.643 6.798 -3.458 434 HG22 THR 60 1HG2 THR 60 2.485 7.558 -2.363 435 HG23 THR 60 2HG2 THR 60 2.531 5.785 -2.523 436 H TYR 61 H TYR 61 3.615 4.061 -0.328 437 HA TYR 61 HA TYR 61 3.557 1.973 -2.463 438 HB2 TYR 61 1HB TYR 61 3.256 1.540 0.521 439 HB3 TYR 61 2HB TYR 61 2.978 0.345 -0.728 440 HD1 TYR 61 2HD TYR 61 4.930 -0.605 -2.052 441 HD2 TYR 61 1HD TYR 61 5.496 2.226 1.162 442 HE1 TYR 61 2HE TYR 61 7.274 -1.354 -1.794 443 HE2 TYR 61 1HE TYR 61 7.855 1.572 1.320 444 HH TYR 61 HH TYR 61 9.179 -1.342 0.006 445 H VAL 62 H VAL 62 1.618 1.813 -3.390 446 HA VAL 62 HA VAL 62 -0.738 3.082 -2.104 447 HB VAL 62 HB VAL 62 -1.131 3.553 -4.768 448 HG11 VAL 62 1HG1 VAL 62 -1.385 5.228 -3.063 449 HG12 VAL 62 2HG1 VAL 62 0.362 5.253 -2.729 450 HG13 VAL 62 3HG1 VAL 62 -0.276 5.862 -4.282 451 HG21 VAL 62 3HG2 VAL 62 1.203 2.720 -5.354 452 HG22 VAL 62 1HG2 VAL 62 0.864 4.395 -5.818 453 HG23 VAL 62 2HG2 VAL 62 1.863 4.065 -4.400 454 HA PRO 63 HA PRO 63 -2.833 -0.549 -2.769 455 HB2 PRO 63 1HB PRO 63 -5.433 0.152 -3.347 456 HB3 PRO 63 2HB PRO 63 -4.657 0.357 -1.755 457 HG2 PRO 63 1HG PRO 63 -5.066 2.407 -3.940 458 HG3 PRO 63 2HG PRO 63 -5.303 2.579 -2.164 459 HD2 PRO 63 1HD PRO 63 -3.053 3.441 -3.492 460 HD3 PRO 63 2HD PRO 63 -3.008 2.853 -1.801 461 H ALA 64 H ALA 64 -2.975 -2.120 -4.248 462 HA ALA 64 HA ALA 64 -2.949 -1.305 -7.115 463 HB1 ALA 64 1HB ALA 64 -1.631 -3.208 -7.559 464 HB2 ALA 64 2HB ALA 64 -0.866 -2.219 -6.323 465 HB3 ALA 64 3HB ALA 64 -1.692 -3.737 -5.848 466 H LEU 65 H LEU 65 -5.307 -1.649 -5.667 467 HA LEU 65 HA LEU 65 -6.626 -4.090 -6.193 468 HB2 LEU 65 1HB LEU 65 -8.758 -2.550 -6.149 469 HB3 LEU 65 2HB LEU 65 -7.945 -3.168 -4.739 470 HG LEU 65 HG LEU 65 -6.847 -1.092 -4.327 471 HD11 LEU 65 1HD1 LEU 65 -8.098 -0.165 -6.916 472 HD12 LEU 65 2HD1 LEU 65 -6.383 -0.503 -6.679 473 HD13 LEU 65 3HD1 LEU 65 -7.109 0.852 -5.814 474 HD21 LEU 65 3HD2 LEU 65 -9.185 -1.335 -3.554 475 HD22 LEU 65 1HD2 LEU 65 -9.760 -0.592 -5.058 476 HD23 LEU 65 2HD2 LEU 65 -8.775 0.353 -3.914 477 H GLU 66 H GLU 66 -5.792 -1.588 -8.460 478 HA GLU 66 HA GLU 66 -7.377 -2.638 -10.620 479 HB2 GLU 66 1HB GLU 66 -9.241 -1.726 -9.305 480 HB3 GLU 66 2HB GLU 66 -8.377 -0.232 -9.052 481 HG2 GLU 66 1HG GLU 66 -9.971 0.319 -10.655 482 HG3 GLU 66 2HG GLU 66 -8.509 0.150 -11.596 483 H GLN 67 H GLN 67 -6.138 0.417 -9.192 484 HA GLN 67 HA GLN 67 -5.179 2.211 -9.987 485 HB2 GLN 67 1HB GLN 67 -3.373 0.395 -9.535 486 HB3 GLN 67 2HB GLN 67 -3.058 0.500 -11.261 487 HG2 GLN 67 1HG GLN 67 -2.910 2.671 -9.133 488 HG3 GLN 67 2HG GLN 67 -1.578 1.997 -10.060 489 HE21 GLN 67 1HE2 GLN 67 -1.151 2.871 -12.170 490 HE22 GLN 67 2HE2 GLN 67 -1.999 4.266 -12.797 491 H SER 68 H SER 68 -6.942 2.762 -11.360 492 HA SER 68 HA SER 68 -6.203 2.880 -14.256 493 HB2 SER 68 1HB SER 68 -8.030 1.252 -13.519 494 HB3 SER 68 2HB SER 68 -8.987 2.682 -13.099 495 HG SER 68 HG SER 68 -9.204 1.610 -15.264 496 H ALA 69 H ALA 69 -5.429 4.761 -12.271 497 HA ALA 69 HA ALA 69 -5.453 6.967 -11.657 498 HB1 ALA 69 1HB ALA 69 -5.469 8.516 -13.568 499 HB2 ALA 69 2HB ALA 69 -4.482 7.070 -13.854 500 HB3 ALA 69 3HB ALA 69 -6.088 7.227 -14.620 501 H ASP 70 H ASP 70 -7.267 6.812 -10.199 502 HA ASP 70 HA ASP 70 -9.951 7.411 -11.335 503 HB2 ASP 70 1HB ASP 70 -9.710 5.178 -10.392 504 HB3 ASP 70 2HB ASP 70 -9.122 5.891 -8.870 505 H GLY 71 H GLY 71 -9.119 9.599 -11.294 506 HA2 GLY 71 1HA GLY 71 -9.903 11.569 -10.456 507 HA3 GLY 71 2HA GLY 71 -10.663 10.518 -9.229 508 H HIS 72 H HIS 72 -7.283 10.231 -9.043 509 HA HIS 72 HA HIS 72 -5.870 10.578 -7.354 510 HB2 HIS 72 1HB HIS 72 -7.173 13.296 -6.916 511 HB3 HIS 72 2HB HIS 72 -5.660 12.740 -6.249 512 HD1 HIS 72 1HD HIS 72 -7.033 14.355 -9.354 513 HD2 HIS 72 2HD HIS 72 -3.560 12.433 -7.899 514 HE1 HIS 72 1HE HIS 72 -5.101 15.052 -10.906 515 H LYS 73 H LYS 73 -8.642 9.383 -6.932 516 HA LYS 73 HA LYS 73 -8.830 9.764 -3.980 517 HB2 LYS 73 1HB LYS 73 -10.749 8.348 -5.889 518 HB3 LYS 73 2HB LYS 73 -10.921 8.505 -4.132 519 HG2 LYS 73 1HG LYS 73 -10.850 11.074 -4.532 520 HG3 LYS 73 2HG LYS 73 -11.081 10.678 -6.251 521 HD2 LYS 73 1HD LYS 73 -13.139 9.324 -5.527 522 HD3 LYS 73 2HD LYS 73 -12.939 10.053 -3.919 523 HE2 LYS 73 1HE LYS 73 -13.008 12.330 -5.047 524 HE3 LYS 73 2HE LYS 73 -13.360 11.504 -6.573 525 HZ1 LYS 73 3HZ LYS 73 -15.383 12.179 -5.618 526 HZ2 LYS 73 1HZ LYS 73 -15.053 11.517 -4.140 527 HZ3 LYS 73 2HZ LYS 73 -15.336 10.543 -5.433 528 H GLU 74 H GLU 74 -7.605 8.317 -2.911 529 HA GLU 74 HA GLU 74 -7.237 5.527 -3.815 530 HB2 GLU 74 1HB GLU 74 -6.944 7.070 -1.213 531 HB3 GLU 74 2HB GLU 74 -7.323 5.341 -1.165 532 HG2 GLU 74 1HG GLU 74 -4.843 5.905 -1.018 533 HG3 GLU 74 2HG GLU 74 -5.236 4.860 -2.376 534 H THR 75 H THR 75 -9.262 4.816 -4.420 535 HA THR 75 HA THR 75 -11.339 4.077 -4.341 536 HB THR 75 HB THR 75 -10.971 3.150 -1.557 537 HG1 THR 75 1HG THR 75 -9.106 2.490 -3.595 538 HG21 THR 75 3HG2 THR 75 -12.565 2.027 -3.037 539 HG22 THR 75 1HG2 THR 75 -11.242 0.927 -2.649 540 HG23 THR 75 2HG2 THR 75 -11.294 1.708 -4.230 541 H GLY 76 H GLY 76 -10.926 5.344 -1.076 542 HA2 GLY 76 1HA GLY 76 -12.319 6.372 0.361 543 HA3 GLY 76 2HA GLY 76 -12.995 7.167 -1.088 544 H ALA 77 H ALA 77 -13.153 3.706 -0.604 545 HA ALA 77 HA ALA 77 -15.968 3.680 0.181 546 HB1 ALA 77 1HB ALA 77 -16.129 3.996 -2.226 547 HB2 ALA 77 2HB ALA 77 -14.983 2.684 -2.515 548 HB3 ALA 77 3HB ALA 77 -16.576 2.321 -1.832 549 HA PRO 78 HA PRO 78 -13.487 0.088 1.802 550 HB2 PRO 78 1HB PRO 78 -14.495 0.056 4.336 551 HB3 PRO 78 2HB PRO 78 -13.203 1.184 3.826 552 HG2 PRO 78 1HG PRO 78 -16.184 1.734 4.037 553 HG3 PRO 78 2HG PRO 78 -14.827 2.730 4.653 554 HD2 PRO 78 1HD PRO 78 -16.070 3.211 2.257 555 HD3 PRO 78 2HD PRO 78 -14.323 3.541 2.510 556 H SER 79 H SER 79 -14.631 -1.369 0.338 557 HA SER 79 HA SER 79 -17.370 -2.158 1.204 558 HB2 SER 79 1HB SER 79 -17.144 -1.067 -1.044 559 HB3 SER 79 2HB SER 79 -16.136 -2.432 -1.557 560 HG SER 79 HG SER 79 -17.966 -3.800 -0.967 561 H LYS 80 H LYS 80 -16.319 -3.570 2.846 562 HA LYS 80 HA LYS 80 -15.658 -6.178 1.603 563 HB2 LYS 80 1HB LYS 80 -13.617 -4.966 2.598 564 HB3 LYS 80 2HB LYS 80 -14.387 -5.175 4.168 565 HG2 LYS 80 1HG LYS 80 -12.747 -6.863 3.931 566 HG3 LYS 80 2HG LYS 80 -14.290 -7.650 3.853 567 HD2 LYS 80 1HD LYS 80 -13.486 -8.727 2.055 568 HD3 LYS 80 2HD LYS 80 -13.812 -7.247 1.163 569 HE2 LYS 80 1HE LYS 80 -11.582 -7.922 0.659 570 HE3 LYS 80 2HE LYS 80 -11.473 -6.468 1.660 571 HZ1 LYS 80 3HZ LYS 80 -9.924 -8.274 2.254 572 HZ2 LYS 80 1HZ LYS 80 -11.157 -9.258 2.648 573 HZ3 LYS 80 2HZ LYS 80 -10.882 -7.871 3.533 574 H GLU 81 H GLU 81 -18.081 -4.665 2.763 575 HA GLU 81 HA GLU 81 -19.915 -5.041 3.952 576 HB2 GLU 81 1HB GLU 81 -18.911 -7.799 4.644 577 HB3 GLU 81 2HB GLU 81 -20.482 -7.154 5.009 578 HG2 GLU 81 1HG GLU 81 -19.346 -7.531 2.198 579 HG3 GLU 81 2HG GLU 81 -20.480 -8.592 3.006 580 H GLY 82 H GLY 82 -20.210 -3.824 5.574 581 HA2 GLY 82 1HA GLY 82 -19.813 -3.828 8.183 582 HA3 GLY 82 2HA GLY 82 -18.183 -3.384 7.665 583 H LYS 83 H LYS 83 -18.728 -1.757 5.411 584 HA LYS 83 HA LYS 83 -20.270 0.551 6.423 585 HB2 LYS 83 1HB LYS 83 -18.044 0.400 7.581 586 HB3 LYS 83 2HB LYS 83 -17.237 0.558 6.015 587 HG2 LYS 83 1HG LYS 83 -17.822 2.809 5.791 588 HG3 LYS 83 2HG LYS 83 -19.238 2.676 6.851 589 HD2 LYS 83 1HD LYS 83 -16.427 2.258 7.926 590 HD3 LYS 83 2HD LYS 83 -17.074 3.882 7.711 591 HE2 LYS 83 1HE LYS 83 -18.604 1.752 9.265 592 HE3 LYS 83 2HE LYS 83 -17.352 2.734 10.032 593 HZ1 LYS 83 3HZ LYS 83 -19.697 3.930 8.664 594 HZ2 LYS 83 1HZ LYS 83 -18.541 4.696 9.527 595 HZ3 LYS 83 2HZ LYS 83 -19.591 3.707 10.294 596 H GLU 84 H GLU 84 -20.158 -1.323 4.027 597 HA GLU 84 HA GLU 84 -18.764 -0.213 1.847 598 HB2 GLU 84 1HB GLU 84 -21.297 -1.568 1.083 599 HB3 GLU 84 2HB GLU 84 -19.614 -1.837 0.622 600 HG2 GLU 84 1HG GLU 84 -20.197 -3.825 1.609 601 HG3 GLU 84 2HG GLU 84 -19.230 -2.983 2.837 602 H LYS 85 H LYS 85 -22.177 0.214 2.825 603 HA LYS 85 HA LYS 85 -22.315 2.730 1.283 604 HB2 LYS 85 1HB LYS 85 -24.647 2.118 0.583 605 HB3 LYS 85 2HB LYS 85 -23.322 1.284 -0.228 606 HG2 LYS 85 1HG LYS 85 -23.708 -0.729 1.132 607 HG3 LYS 85 2HG LYS 85 -25.024 0.087 2.005 608 HD2 LYS 85 1HD LYS 85 -26.375 0.218 0.031 609 HD3 LYS 85 2HD LYS 85 -25.049 -0.310 -1.019 610 HE2 LYS 85 1HE LYS 85 -26.141 -2.045 1.234 611 HE3 LYS 85 2HE LYS 85 -26.835 -2.066 -0.397 612 HZ1 LYS 85 3HZ LYS 85 -24.756 -2.798 -1.269 613 HZ2 LYS 85 1HZ LYS 85 -25.165 -3.799 -0.038 614 HZ3 LYS 85 2HZ LYS 85 -24.002 -2.718 0.202 615 H LYS 86 H LYS 86 -23.494 0.818 4.062 616 HA LYS 86 HA LYS 86 -25.267 2.978 4.952 617 HB2 LYS 86 1HB LYS 86 -24.465 0.257 6.046 618 HB3 LYS 86 2HB LYS 86 -25.173 1.439 7.123 619 HG2 LYS 86 1HG LYS 86 -27.105 1.697 5.524 620 HG3 LYS 86 2HG LYS 86 -26.504 0.264 4.663 621 HD2 LYS 86 1HD LYS 86 -27.177 0.385 7.641 622 HD3 LYS 86 2HD LYS 86 -28.328 -0.134 6.401 623 HE2 LYS 86 1HE LYS 86 -27.274 -2.130 6.004 624 HE3 LYS 86 2HE LYS 86 -25.666 -1.505 6.413 625 HZ1 LYS 86 3HZ LYS 86 -27.749 -2.151 8.406 626 HZ2 LYS 86 1HZ LYS 86 -26.238 -1.552 8.701 627 HZ3 LYS 86 2HZ LYS 86 -26.403 -3.041 8.050 628 H GLU 87 H GLU 87 -25.042 3.675 7.207 629 HA GLU 87 HA GLU 87 -24.080 5.159 8.583 630 HB2 GLU 87 1HB GLU 87 -22.334 2.718 8.924 631 HB3 GLU 87 2HB GLU 87 -22.297 4.094 10.015 632 HG2 GLU 87 1HG GLU 87 -24.767 2.408 9.428 633 HG3 GLU 87 2HG GLU 87 -23.725 2.251 10.850 634 H LYS 88 H LYS 88 -23.625 6.297 6.505 635 HA LYS 88 HA LYS 88 -20.859 7.412 6.750 636 HB2 LYS 88 1HB LYS 88 -21.020 8.107 4.372 637 HB3 LYS 88 2HB LYS 88 -20.861 6.375 4.607 638 HG2 LYS 88 1HG LYS 88 -23.023 5.902 3.900 639 HG3 LYS 88 2HG LYS 88 -23.649 7.471 4.336 640 HD2 LYS 88 1HD LYS 88 -23.633 7.334 1.941 641 HD3 LYS 88 2HD LYS 88 -22.449 8.535 2.468 642 HE2 LYS 88 1HE LYS 88 -21.455 7.244 0.693 643 HE3 LYS 88 2HE LYS 88 -20.642 6.809 2.206 644 HZ1 LYS 88 3HZ LYS 88 -22.760 5.240 0.843 645 HZ2 LYS 88 1HZ LYS 88 -22.129 4.863 2.307 646 HZ3 LYS 88 2HZ LYS 88 -21.160 4.855 0.970 647 H HIS 89 H HIS 89 -22.649 8.211 8.516 648 HA HIS 89 HA HIS 89 -24.422 10.318 7.543 649 HB2 HIS 89 1HB HIS 89 -23.692 9.119 10.223 650 HB3 HIS 89 2HB HIS 89 -24.529 10.625 10.114 651 HD1 HIS 89 1HD HIS 89 -27.102 10.518 9.730 652 HD2 HIS 89 2HD HIS 89 -25.015 6.973 8.923 653 HE1 HIS 89 1HE HIS 89 -28.849 8.837 8.867 654 H LYS 90 H LYS 90 -24.221 12.488 9.056 655 HA LYS 90 HA LYS 90 -21.583 13.602 8.102 656 HB2 LYS 90 1HB LYS 90 -24.400 14.760 7.919 657 HB3 LYS 90 2HB LYS 90 -22.918 15.659 7.602 658 HG2 LYS 90 1HG LYS 90 -22.356 14.153 5.734 659 HG3 LYS 90 2HG LYS 90 -23.804 13.187 6.052 660 HD2 LYS 90 1HD LYS 90 -24.190 14.708 4.182 661 HD3 LYS 90 2HD LYS 90 -25.246 15.120 5.550 662 HE2 LYS 90 1HE LYS 90 -23.655 16.950 6.198 663 HE3 LYS 90 2HE LYS 90 -22.622 16.519 4.820 664 HZ1 LYS 90 3HZ LYS 90 -24.434 17.107 3.362 665 HZ2 LYS 90 1HZ LYS 90 -23.987 18.372 4.318 666 HZ3 LYS 90 2HZ LYS 90 -25.386 17.565 4.652 667 H THR 91 H THR 91 -24.089 13.684 10.600 668 HA THR 91 HA THR 91 -22.342 14.973 12.501 669 HB THR 91 HB THR 91 -23.169 16.935 11.393 670 HG1 THR 91 1HG THR 91 -24.540 16.401 13.776 671 HG21 THR 91 3HG2 THR 91 -25.542 17.548 11.220 672 HG22 THR 91 1HG2 THR 91 -26.012 15.919 11.750 673 HG23 THR 91 2HG2 THR 91 -25.154 16.155 10.207 674 H LYS 92 H LYS 92 -23.124 12.474 12.212 675 HA LYS 92 HA LYS 92 -24.469 10.714 12.369 676 HB2 LYS 92 1HB LYS 92 -25.980 12.197 14.538 677 HB3 LYS 92 2HB LYS 92 -26.453 10.632 13.904 678 HG2 LYS 92 1HG LYS 92 -24.106 9.772 14.464 679 HG3 LYS 92 2HG LYS 92 -23.844 11.305 15.304 680 HD2 LYS 92 1HD LYS 92 -24.542 9.817 17.000 681 HD3 LYS 92 2HD LYS 92 -25.946 10.813 16.663 682 HE2 LYS 92 1HE LYS 92 -26.698 8.566 16.920 683 HE3 LYS 92 2HE LYS 92 -26.835 8.929 15.190 684 HZ1 LYS 92 3HZ LYS 92 -25.806 6.725 15.873 685 HZ2 LYS 92 1HZ LYS 92 -24.482 7.565 16.332 686 HZ3 LYS 92 2HZ LYS 92 -24.978 7.572 14.748 Start of MODEL 14 1 H1 GLY 1 H GLY 1 26.172 23.696 0.039 2 HA2 GLY 1 1HA GLY 1 24.000 24.930 -1.561 3 HA3 GLY 1 2HA GLY 1 24.195 23.189 -1.289 4 H HIS 2 H HIS 2 22.681 22.463 0.096 5 HA HIS 2 HA HIS 2 22.010 24.044 2.507 6 HB2 HIS 2 1HB HIS 2 19.740 23.256 2.338 7 HB3 HIS 2 2HB HIS 2 20.165 24.069 0.849 8 HD1 HIS 2 1HD HIS 2 19.130 20.622 2.161 9 HD2 HIS 2 2HD HIS 2 20.392 22.492 -1.411 10 HE1 HIS 2 1HE HIS 2 18.612 19.018 0.255 11 H MET 3 H MET 3 20.643 22.074 3.880 12 HA MET 3 HA MET 3 22.436 19.716 3.946 13 HB2 MET 3 1HB MET 3 22.170 19.571 6.358 14 HB3 MET 3 2HB MET 3 22.979 21.070 5.905 15 HG2 MET 3 1HG MET 3 20.825 22.291 6.206 16 HG3 MET 3 2HG MET 3 20.053 20.776 6.692 17 HE1 MET 3 3HE MET 3 19.940 23.453 8.386 18 HE2 MET 3 1HE MET 3 19.159 21.932 8.870 19 HE3 MET 3 2HE MET 3 20.185 22.808 10.026 20 H GLN 4 H GLN 4 21.275 17.774 4.757 21 HA GLN 4 HA GLN 4 18.400 17.869 4.909 22 HB2 GLN 4 1HB GLN 4 18.053 16.121 3.168 23 HB3 GLN 4 2HB GLN 4 18.555 17.652 2.476 24 HG2 GLN 4 1HG GLN 4 20.576 16.845 1.737 25 HG3 GLN 4 2HG GLN 4 20.767 15.710 3.059 26 HE21 GLN 4 1HE2 GLN 4 19.401 13.636 3.031 27 HE22 GLN 4 2HE2 GLN 4 19.160 12.974 1.468 28 H GLU 5 H GLU 5 17.637 15.522 5.352 29 HA GLU 5 HA GLU 5 19.750 13.976 6.757 30 HB2 GLU 5 1HB GLU 5 17.849 13.204 8.279 31 HB3 GLU 5 2HB GLU 5 18.708 14.720 8.551 32 HG2 GLU 5 1HG GLU 5 16.969 16.025 7.572 33 HG3 GLU 5 2HG GLU 5 16.064 14.591 7.099 34 H SER 6 H SER 6 16.427 12.917 6.351 35 HA SER 6 HA SER 6 16.760 11.867 3.644 36 HB2 SER 6 1HB SER 6 17.495 10.139 5.445 37 HB3 SER 6 2HB SER 6 15.790 10.088 5.915 38 HG SER 6 HG SER 6 16.493 8.488 4.326 39 H TYR 7 H TYR 7 15.410 14.160 4.656 40 HA TYR 7 HA TYR 7 12.679 13.508 5.447 41 HB2 TYR 7 1HB TYR 7 12.372 15.801 5.775 42 HB3 TYR 7 2HB TYR 7 14.009 15.469 6.300 43 HD1 TYR 7 1HD TYR 7 11.937 16.948 3.578 44 HD2 TYR 7 2HD TYR 7 15.837 16.776 5.392 45 HE1 TYR 7 1HE TYR 7 12.706 18.660 2.021 46 HE2 TYR 7 2HE TYR 7 16.622 18.562 3.827 47 HH TYR 7 HH TYR 7 14.605 19.670 1.124 48 H SER 8 H SER 8 14.287 13.716 2.464 49 HA SER 8 HA SER 8 12.243 14.887 0.852 50 HB2 SER 8 1HB SER 8 14.707 14.445 0.260 51 HB3 SER 8 2HB SER 8 14.215 12.765 -0.063 52 HG SER 8 HG SER 8 13.410 15.186 -1.299 53 H GLN 9 H GLN 9 11.244 13.550 -0.953 54 HA GLN 9 HA GLN 9 9.410 11.617 0.072 55 HB2 GLN 9 1HB GLN 9 8.445 11.697 -2.099 56 HB3 GLN 9 2HB GLN 9 9.053 13.317 -1.804 57 HG2 GLN 9 1HG GLN 9 11.236 12.439 -3.010 58 HG3 GLN 9 2HG GLN 9 10.186 11.127 -3.559 59 HE21 GLN 9 1HE2 GLN 9 7.913 13.478 -3.753 60 HE22 GLN 9 2HE2 GLN 9 8.361 14.078 -5.336 61 H TYR 10 H TYR 10 9.213 9.509 -1.557 62 HA TYR 10 HA TYR 10 11.498 7.921 -0.619 63 HB2 TYR 10 1HB TYR 10 8.824 7.376 -1.859 64 HB3 TYR 10 2HB TYR 10 10.043 6.139 -1.896 65 HD1 TYR 10 1HD TYR 10 8.143 8.359 0.430 66 HD2 TYR 10 2HD TYR 10 10.588 4.827 0.025 67 HE1 TYR 10 1HE TYR 10 7.632 7.746 2.746 68 HE2 TYR 10 2HE TYR 10 10.135 4.237 2.384 69 HH TYR 10 HH TYR 10 8.132 6.383 4.473 70 HA PRO 11 HA PRO 11 13.427 7.596 -4.701 71 HB2 PRO 11 1HB PRO 11 14.832 5.317 -4.481 72 HB3 PRO 11 2HB PRO 11 15.187 6.709 -3.415 73 HG2 PRO 11 1HG PRO 11 13.441 4.315 -2.746 74 HG3 PRO 11 2HG PRO 11 14.831 4.963 -1.820 75 HD2 PRO 11 1HD PRO 11 12.246 5.691 -1.288 76 HD3 PRO 11 2HD PRO 11 13.598 6.839 -1.098 77 H VAL 12 H VAL 12 13.636 5.620 -6.404 78 HA VAL 12 HA VAL 12 10.873 4.741 -6.924 79 HB VAL 12 HB VAL 12 13.047 5.351 -8.936 80 HG11 VAL 12 1HG1 VAL 12 11.203 3.859 -9.722 81 HG12 VAL 12 2HG1 VAL 12 10.012 5.069 -9.213 82 HG13 VAL 12 3HG1 VAL 12 11.164 5.432 -10.521 83 HG21 VAL 12 3HG2 VAL 12 11.785 7.460 -9.341 84 HG22 VAL 12 1HG2 VAL 12 10.785 7.122 -7.900 85 HG23 VAL 12 2HG2 VAL 12 12.530 7.436 -7.748 86 HA PRO 13 HA PRO 13 13.238 0.848 -6.220 87 HB2 PRO 13 1HB PRO 13 11.353 -0.594 -4.951 88 HB3 PRO 13 2HB PRO 13 12.032 0.864 -4.164 89 HG2 PRO 13 1HG PRO 13 9.447 0.651 -5.746 90 HG3 PRO 13 2HG PRO 13 9.675 1.334 -4.110 91 HD2 PRO 13 1HD PRO 13 9.708 2.887 -6.380 92 HD3 PRO 13 2HD PRO 13 10.683 3.254 -4.935 93 H ASP 14 H ASP 14 12.499 -1.662 -6.756 94 HA ASP 14 HA ASP 14 10.332 -1.808 -8.664 95 HB2 ASP 14 1HB ASP 14 12.479 -1.218 -10.022 96 HB3 ASP 14 2HB ASP 14 13.016 -2.849 -9.654 97 H VAL 15 H VAL 15 9.490 -3.941 -8.719 98 HA VAL 15 HA VAL 15 10.306 -5.710 -6.590 99 HB VAL 15 HB VAL 15 7.969 -5.479 -7.346 100 HG11 VAL 15 1HG1 VAL 15 7.136 -6.389 -9.364 101 HG12 VAL 15 2HG1 VAL 15 8.466 -5.319 -9.816 102 HG13 VAL 15 3HG1 VAL 15 8.712 -7.086 -9.801 103 HG21 VAL 15 3HG2 VAL 15 8.445 -7.462 -6.105 104 HG22 VAL 15 1HG2 VAL 15 7.379 -7.909 -7.427 105 HG23 VAL 15 2HG2 VAL 15 9.102 -8.298 -7.519 106 H SER 16 H SER 16 11.375 -5.262 -9.870 107 HA SER 16 HA SER 16 12.552 -7.757 -10.417 108 HB2 SER 16 1HB SER 16 13.504 -4.966 -11.172 109 HB3 SER 16 2HB SER 16 13.887 -6.484 -12.017 110 HG SER 16 HG SER 16 12.048 -5.210 -12.876 111 H THR 17 H THR 17 13.440 -5.623 -7.804 112 HA THR 17 HA THR 17 16.067 -7.026 -7.647 113 HB THR 17 HB THR 17 16.007 -4.582 -8.158 114 HG1 THR 17 1HG THR 17 17.767 -4.222 -7.248 115 HG21 THR 17 3HG2 THR 17 16.036 -3.044 -6.137 116 HG22 THR 17 1HG2 THR 17 15.091 -4.290 -5.295 117 HG23 THR 17 2HG2 THR 17 14.487 -3.505 -6.779 118 H TYR 18 H TYR 18 13.097 -7.591 -6.544 119 HA TYR 18 HA TYR 18 13.653 -7.713 -3.662 120 HB2 TYR 18 1HB TYR 18 11.234 -8.376 -5.359 121 HB3 TYR 18 2HB TYR 18 11.293 -8.608 -3.640 122 HD1 TYR 18 2HD TYR 18 13.214 -5.685 -4.082 123 HD2 TYR 18 1HD TYR 18 9.177 -7.133 -4.067 124 HE1 TYR 18 2HE TYR 18 12.437 -3.404 -4.044 125 HE2 TYR 18 1HE TYR 18 8.331 -4.807 -4.095 126 HH TYR 18 HH TYR 18 10.594 -2.020 -3.942 127 H GLN 19 H GLN 19 12.902 -9.720 -2.577 128 HA GLN 19 HA GLN 19 14.030 -12.187 -3.872 129 HB2 GLN 19 1HB GLN 19 13.586 -11.473 -0.926 130 HB3 GLN 19 2HB GLN 19 13.961 -13.079 -1.527 131 HG2 GLN 19 1HG GLN 19 16.074 -12.021 -2.592 132 HG3 GLN 19 2HG GLN 19 15.711 -10.620 -1.571 133 HE21 GLN 19 1HE2 GLN 19 16.707 -10.649 0.444 134 HE22 GLN 19 2HE2 GLN 19 17.084 -12.105 1.360 135 H TYR 20 H TYR 20 12.496 -13.720 -4.412 136 HA TYR 20 HA TYR 20 9.683 -13.473 -3.504 137 HB2 TYR 20 1HB TYR 20 10.113 -14.341 -5.726 138 HB3 TYR 20 2HB TYR 20 11.209 -15.565 -5.097 139 HD1 TYR 20 2HD TYR 20 7.628 -14.385 -4.689 140 HD2 TYR 20 1HD TYR 20 10.361 -17.722 -4.796 141 HE1 TYR 20 2HE TYR 20 5.708 -15.961 -4.600 142 HE2 TYR 20 1HE TYR 20 8.464 -19.292 -4.778 143 HH TYR 20 HH TYR 20 5.052 -18.246 -4.745 144 H ASP 21 H ASP 21 8.772 -14.964 -1.905 145 HA ASP 21 HA ASP 21 10.743 -16.688 -0.508 146 HB2 ASP 21 1HB ASP 21 9.398 -14.384 0.590 147 HB3 ASP 21 2HB ASP 21 8.749 -15.810 1.364 148 H GLU 22 H GLU 22 10.222 -18.490 -1.471 149 HA GLU 22 HA GLU 22 7.659 -19.306 -2.327 150 HB2 GLU 22 1HB GLU 22 8.701 -21.662 -2.221 151 HB3 GLU 22 2HB GLU 22 9.332 -20.514 -3.364 152 HG2 GLU 22 1HG GLU 22 11.368 -20.568 -2.579 153 HG3 GLU 22 2HG GLU 22 10.869 -20.347 -0.910 154 H THR 23 H THR 23 9.162 -19.533 0.820 155 HA THR 23 HA THR 23 7.595 -21.384 2.145 156 HB THR 23 HB THR 23 9.568 -20.208 3.004 157 HG1 THR 23 1HG THR 23 8.077 -21.118 4.524 158 HG21 THR 23 3HG2 THR 23 8.981 -17.891 2.201 159 HG22 THR 23 1HG2 THR 23 9.505 -17.938 3.880 160 HG23 THR 23 2HG2 THR 23 7.787 -17.784 3.506 161 H SER 24 H SER 24 6.584 -18.184 0.997 162 HA SER 24 HA SER 24 3.880 -18.691 2.142 163 HB2 SER 24 1HB SER 24 5.422 -16.089 2.417 164 HB3 SER 24 2HB SER 24 3.777 -16.404 2.985 165 HG SER 24 HG SER 24 5.071 -16.733 4.729 166 H GLY 25 H GLY 25 5.744 -17.499 -0.605 167 HA2 GLY 25 1HA GLY 25 4.821 -17.236 -2.724 168 HA3 GLY 25 2HA GLY 25 3.199 -17.463 -2.064 169 H TYR 26 H TYR 26 5.712 -15.129 -1.141 170 HA TYR 26 HA TYR 26 4.262 -12.836 -2.289 171 HB2 TYR 26 1HB TYR 26 5.004 -13.226 0.600 172 HB3 TYR 26 2HB TYR 26 5.345 -11.674 -0.101 173 HD1 TYR 26 1HD TYR 26 2.446 -14.083 0.052 174 HD2 TYR 26 2HD TYR 26 3.774 -9.990 -0.049 175 HE1 TYR 26 1HE TYR 26 0.122 -13.321 0.460 176 HE2 TYR 26 2HE TYR 26 1.463 -9.215 0.413 177 HH TYR 26 HH TYR 26 -1.163 -11.428 1.241 178 H TYR 27 H TYR 27 5.925 -10.953 -2.204 179 HA TYR 27 HA TYR 27 8.721 -11.869 -2.592 180 HB2 TYR 27 1HB TYR 27 7.245 -9.462 -3.726 181 HB3 TYR 27 2HB TYR 27 8.989 -9.634 -3.759 182 HD1 TYR 27 1HD TYR 27 5.797 -11.063 -5.065 183 HD2 TYR 27 2HD TYR 27 10.106 -11.088 -5.332 184 HE1 TYR 27 1HE TYR 27 5.660 -12.419 -7.141 185 HE2 TYR 27 2HE TYR 27 9.980 -12.453 -7.387 186 HH TYR 27 HH TYR 27 7.081 -12.992 -9.161 187 H TYR 28 H TYR 28 10.269 -10.560 -1.458 188 HA TYR 28 HA TYR 28 9.258 -8.827 0.727 189 HB2 TYR 28 1HB TYR 28 10.184 -10.884 1.694 190 HB3 TYR 28 2HB TYR 28 11.587 -10.780 0.652 191 HD1 TYR 28 2HD TYR 28 9.802 -8.476 3.071 192 HD2 TYR 28 1HD TYR 28 13.549 -10.025 1.632 193 HE1 TYR 28 2HE TYR 28 10.989 -7.074 4.726 194 HE2 TYR 28 1HE TYR 28 14.760 -8.600 3.241 195 HH TYR 28 HH TYR 28 14.346 -7.629 5.415 196 H ASP 29 H ASP 29 10.198 -6.902 0.843 197 HA ASP 29 HA ASP 29 11.769 -6.093 -1.429 198 HB2 ASP 29 1HB ASP 29 10.205 -4.169 0.190 199 HB3 ASP 29 2HB ASP 29 10.531 -4.221 -1.515 200 HA PRO 30 HA PRO 30 14.759 -5.549 2.092 201 HB2 PRO 30 1HB PRO 30 17.080 -5.651 0.592 202 HB3 PRO 30 2HB PRO 30 16.208 -7.108 1.187 203 HG2 PRO 30 1HG PRO 30 16.003 -5.776 -1.540 204 HG3 PRO 30 2HG PRO 30 16.233 -7.514 -1.180 205 HD2 PRO 30 1HD PRO 30 13.793 -6.569 -1.739 206 HD3 PRO 30 2HD PRO 30 14.009 -7.749 -0.407 207 H GLN 31 H GLN 31 14.081 -3.758 -0.693 208 HA GLN 31 HA GLN 31 16.024 -1.663 -0.547 209 HB2 GLN 31 1HB GLN 31 14.703 -2.530 -2.530 210 HB3 GLN 31 2HB GLN 31 13.256 -1.757 -1.872 211 HG2 GLN 31 1HG GLN 31 14.044 0.406 -2.395 212 HG3 GLN 31 2HG GLN 31 15.734 -0.117 -2.428 213 HE21 GLN 31 1HE2 GLN 31 15.802 1.010 -4.603 214 HE22 GLN 31 2HE2 GLN 31 15.390 0.062 -5.992 215 H THR 32 H THR 32 13.054 -2.357 1.110 216 HA THR 32 HA THR 32 12.895 0.309 2.396 217 HB THR 32 HB THR 32 10.329 -0.178 1.958 218 HG1 THR 32 1HG THR 32 10.027 -1.158 -0.080 219 HG21 THR 32 3HG2 THR 32 12.177 0.944 -0.221 220 HG22 THR 32 1HG2 THR 32 11.468 1.855 1.130 221 HG23 THR 32 2HG2 THR 32 10.432 1.185 -0.133 222 H GLY 33 H GLY 33 12.073 -3.165 2.503 223 HA2 GLY 33 1HA GLY 33 12.043 -4.450 4.436 224 HA3 GLY 33 2HA GLY 33 11.805 -3.006 5.445 225 H LEU 34 H LEU 34 10.006 -4.036 2.490 226 HA LEU 34 HA LEU 34 7.516 -4.384 4.080 227 HB2 LEU 34 1HB LEU 34 7.894 -3.088 1.363 228 HB3 LEU 34 2HB LEU 34 6.338 -3.384 2.106 229 HG LEU 34 HG LEU 34 8.397 -1.640 3.533 230 HD11 LEU 34 1HD1 LEU 34 7.363 0.322 2.350 231 HD12 LEU 34 2HD1 LEU 34 6.651 -0.855 1.207 232 HD13 LEU 34 3HD1 LEU 34 8.374 -0.732 1.338 233 HD21 LEU 34 3HD2 LEU 34 6.417 -2.312 4.799 234 HD22 LEU 34 1HD2 LEU 34 5.351 -1.694 3.517 235 HD23 LEU 34 2HD2 LEU 34 6.368 -0.579 4.454 236 H TYR 35 H TYR 35 5.887 -5.627 2.347 237 HA TYR 35 HA TYR 35 7.472 -7.521 0.692 238 HB2 TYR 35 1HB TYR 35 5.059 -8.060 2.462 239 HB3 TYR 35 2HB TYR 35 5.511 -9.110 1.146 240 HD1 TYR 35 1HD TYR 35 6.817 -7.684 4.366 241 HD2 TYR 35 2HD TYR 35 7.019 -10.887 1.491 242 HE1 TYR 35 1HE TYR 35 8.309 -8.975 5.887 243 HE2 TYR 35 2HE TYR 35 8.494 -12.165 2.946 244 HH TYR 35 HH TYR 35 9.937 -11.916 4.908 245 H TYR 36 H TYR 36 6.481 -8.033 -1.240 246 HA TYR 36 HA TYR 36 4.092 -6.472 -2.145 247 HB2 TYR 36 1HB TYR 36 6.099 -5.601 -3.114 248 HB3 TYR 36 2HB TYR 36 6.691 -7.201 -3.515 249 HD1 TYR 36 2HD TYR 36 5.763 -8.481 -5.398 250 HD2 TYR 36 1HD TYR 36 4.412 -4.502 -4.526 251 HE1 TYR 36 2HE TYR 36 4.699 -8.365 -7.637 252 HE2 TYR 36 1HE TYR 36 3.448 -4.320 -6.830 253 HH TYR 36 HH TYR 36 3.410 -5.332 -8.972 254 H ASP 37 H ASP 37 2.794 -7.538 -3.841 255 HA ASP 37 HA ASP 37 2.878 -10.542 -3.870 256 HB2 ASP 37 1HB ASP 37 1.227 -9.742 -2.250 257 HB3 ASP 37 2HB ASP 37 0.658 -8.565 -3.419 258 HA PRO 38 HA PRO 38 2.614 -9.423 -8.149 259 HB2 PRO 38 1HB PRO 38 2.263 -11.887 -9.359 260 HB3 PRO 38 2HB PRO 38 3.768 -11.451 -8.488 261 HG2 PRO 38 1HG PRO 38 1.354 -12.932 -7.367 262 HG3 PRO 38 2HG PRO 38 3.078 -13.467 -7.345 263 HD2 PRO 38 1HD PRO 38 2.006 -12.209 -5.234 264 HD3 PRO 38 2HD PRO 38 3.648 -11.773 -5.782 265 H ASN 39 H ASN 39 -0.138 -11.238 -6.809 266 HA ASN 39 HA ASN 39 -1.922 -10.599 -9.051 267 HB2 ASN 39 1HB ASN 39 -2.010 -12.260 -6.601 268 HB3 ASN 39 2HB ASN 39 -3.434 -11.259 -6.801 269 HD21 ASN 39 1HD2 ASN 39 -1.535 -12.625 -9.490 270 HD22 ASN 39 2HD2 ASN 39 -2.875 -13.565 -10.084 271 H SER 40 H SER 40 -0.915 -9.232 -5.974 272 HA SER 40 HA SER 40 -2.937 -7.036 -6.318 273 HB2 SER 40 1HB SER 40 -2.262 -8.549 -3.770 274 HB3 SER 40 2HB SER 40 -3.361 -7.180 -3.904 275 HG SER 40 HG SER 40 -4.532 -9.077 -3.943 276 H GLN 41 H GLN 41 -1.429 -5.534 -6.962 277 HA GLN 41 HA GLN 41 1.129 -5.024 -6.033 278 HB2 GLN 41 1HB GLN 41 -0.966 -3.090 -7.092 279 HB3 GLN 41 2HB GLN 41 0.728 -2.684 -6.826 280 HG2 GLN 41 1HG GLN 41 0.488 -3.212 -9.110 281 HG3 GLN 41 2HG GLN 41 1.455 -4.466 -8.357 282 HE21 GLN 41 1HE2 GLN 41 0.971 -6.403 -9.336 283 HE22 GLN 41 2HE2 GLN 41 -0.644 -6.920 -9.775 284 H TYR 42 H TYR 42 -1.481 -4.893 -4.014 285 HA TYR 42 HA TYR 42 -0.944 -2.551 -2.393 286 HB2 TYR 42 1HB TYR 42 -2.577 -5.043 -1.761 287 HB3 TYR 42 2HB TYR 42 -2.621 -3.503 -0.916 288 HD1 TYR 42 2HD TYR 42 -2.963 -1.437 -2.831 289 HD2 TYR 42 1HD TYR 42 -4.544 -5.443 -3.000 290 HE1 TYR 42 2HE TYR 42 -4.805 -0.636 -4.238 291 HE2 TYR 42 1HE TYR 42 -6.372 -4.668 -4.453 292 HH TYR 42 HH TYR 42 -7.204 -1.438 -4.829 293 H TYR 43 H TYR 43 0.971 -2.557 -1.424 294 HA TYR 43 HA TYR 43 2.661 -4.817 -0.872 295 HB2 TYR 43 1HB TYR 43 2.595 -1.923 0.031 296 HB3 TYR 43 2HB TYR 43 3.810 -3.054 0.613 297 HD1 TYR 43 1HD TYR 43 2.513 -1.485 -2.558 298 HD2 TYR 43 2HD TYR 43 5.777 -3.517 -0.609 299 HE1 TYR 43 1HE TYR 43 3.992 -0.922 -4.436 300 HE2 TYR 43 2HE TYR 43 7.262 -2.955 -2.481 301 HH TYR 43 HH TYR 43 6.173 -1.503 -5.505 302 H TYR 44 H TYR 44 3.311 -5.515 1.245 303 HA TYR 44 HA TYR 44 1.157 -5.403 3.304 304 HB2 TYR 44 1HB TYR 44 1.294 -7.625 2.434 305 HB3 TYR 44 2HB TYR 44 3.025 -7.641 2.550 306 HD1 TYR 44 1HD TYR 44 -0.029 -7.156 4.680 307 HD2 TYR 44 2HD TYR 44 4.068 -8.488 4.507 308 HE1 TYR 44 1HE TYR 44 -0.217 -7.990 7.010 309 HE2 TYR 44 2HE TYR 44 3.879 -9.362 6.828 310 HH TYR 44 HH TYR 44 1.587 -10.110 8.450 311 H ASN 45 H ASN 45 1.681 -4.206 4.864 312 HA ASN 45 HA ASN 45 4.441 -3.360 5.482 313 HB2 ASN 45 1HB ASN 45 2.671 -1.696 5.303 314 HB3 ASN 45 2HB ASN 45 1.735 -2.507 6.573 315 HD21 ASN 45 1HD2 ASN 45 1.799 -0.629 7.961 316 HD22 ASN 45 2HD2 ASN 45 3.309 0.001 8.569 317 H ALA 46 H ALA 46 5.025 -5.522 6.139 318 HA ALA 46 HA ALA 46 3.996 -7.097 8.157 319 HB1 ALA 46 1HB ALA 46 6.343 -7.860 8.491 320 HB2 ALA 46 2HB ALA 46 5.951 -7.684 6.771 321 HB3 ALA 46 3HB ALA 46 6.927 -6.445 7.601 322 H GLN 47 H GLN 47 5.756 -4.052 8.562 323 HA GLN 47 HA GLN 47 6.541 -4.063 11.163 324 HB2 GLN 47 1HB GLN 47 6.425 -2.337 9.000 325 HB3 GLN 47 2HB GLN 47 5.327 -1.529 10.115 326 HG2 GLN 47 1HG GLN 47 7.069 -1.473 11.807 327 HG3 GLN 47 2HG GLN 47 8.136 -2.463 10.779 328 HE21 GLN 47 1HE2 GLN 47 8.708 -1.559 8.594 329 HE22 GLN 47 2HE2 GLN 47 8.951 0.189 8.473 330 H SER 48 H SER 48 3.263 -3.437 9.945 331 HA SER 48 HA SER 48 2.246 -3.334 12.743 332 HB2 SER 48 1HB SER 48 1.396 -1.659 10.376 333 HB3 SER 48 2HB SER 48 0.486 -1.795 11.886 334 HG SER 48 HG SER 48 1.652 -0.399 12.680 335 H GLN 49 H GLN 49 2.257 -5.137 9.939 336 HA GLN 49 HA GLN 49 0.997 -6.699 8.990 337 HB2 GLN 49 1HB GLN 49 -1.052 -6.534 11.226 338 HB3 GLN 49 2HB GLN 49 -0.726 -7.884 10.148 339 HG2 GLN 49 1HG GLN 49 1.425 -8.295 11.239 340 HG3 GLN 49 2HG GLN 49 1.247 -6.870 12.261 341 HE21 GLN 49 1HE2 GLN 49 -0.758 -6.796 13.732 342 HE22 GLN 49 2HE2 GLN 49 -1.184 -8.331 14.475 343 H GLN 50 H GLN 50 0.793 -4.047 8.153 344 HA GLN 50 HA GLN 50 -2.123 -3.558 7.658 345 HB2 GLN 50 1HB GLN 50 0.110 -1.760 8.392 346 HB3 GLN 50 2HB GLN 50 -0.792 -1.219 6.982 347 HG2 GLN 50 1HG GLN 50 -1.810 -0.222 8.837 348 HG3 GLN 50 2HG GLN 50 -2.925 -1.461 8.283 349 HE21 GLN 50 1HE2 GLN 50 -2.416 -3.759 9.612 350 HE22 GLN 50 2HE2 GLN 50 -2.086 -3.498 11.304 351 H TYR 51 H TYR 51 -2.515 -2.345 5.478 352 HA TYR 51 HA TYR 51 -0.886 -3.598 3.338 353 HB2 TYR 51 1HB TYR 51 -3.888 -3.211 3.628 354 HB3 TYR 51 2HB TYR 51 -3.132 -3.239 2.050 355 HD1 TYR 51 2HD TYR 51 -2.464 -5.425 5.079 356 HD2 TYR 51 1HD TYR 51 -3.856 -5.187 1.001 357 HE1 TYR 51 2HE TYR 51 -2.583 -7.877 4.985 358 HE2 TYR 51 1HE TYR 51 -3.990 -7.661 0.912 359 HH TYR 51 HH TYR 51 -3.580 -9.655 2.029 360 H LEU 52 H LEU 52 -0.165 -2.216 1.778 361 HA LEU 52 HA LEU 52 -0.923 0.644 1.881 362 HB2 LEU 52 1HB LEU 52 1.903 -0.358 1.774 363 HB3 LEU 52 2HB LEU 52 1.424 1.311 1.815 364 HG LEU 52 HG LEU 52 1.136 -0.665 4.117 365 HD11 LEU 52 1HD1 LEU 52 3.125 1.588 3.618 366 HD12 LEU 52 2HD1 LEU 52 3.454 -0.156 3.640 367 HD13 LEU 52 3HD1 LEU 52 2.989 0.666 5.132 368 HD21 LEU 52 3HD2 LEU 52 0.544 2.311 4.015 369 HD22 LEU 52 1HD2 LEU 52 0.844 1.429 5.527 370 HD23 LEU 52 2HD2 LEU 52 -0.522 0.974 4.536 371 H TYR 53 H TYR 53 0.328 1.743 -0.111 372 HA TYR 53 HA TYR 53 0.810 -0.114 -2.306 373 HB2 TYR 53 1HB TYR 53 -0.468 1.106 -3.911 374 HB3 TYR 53 2HB TYR 53 -1.511 0.505 -2.672 375 HD1 TYR 53 1HD TYR 53 -2.304 2.258 -0.815 376 HD2 TYR 53 2HD TYR 53 -0.529 3.346 -4.606 377 HE1 TYR 53 1HE TYR 53 -3.538 4.367 -0.766 378 HE2 TYR 53 2HE TYR 53 -1.779 5.492 -4.561 379 HH TYR 53 HH TYR 53 -4.104 6.279 -1.946 380 H TRP 54 H TRP 54 2.137 0.875 -3.948 381 HA TRP 54 HA TRP 54 3.877 3.082 -2.965 382 HB2 TRP 54 1HB TRP 54 5.120 1.186 -3.845 383 HB3 TRP 54 2HB TRP 54 4.102 1.106 -5.283 384 HD1 TRP 54 HD TRP 54 5.120 2.091 -7.339 385 HE1 TRP 54 1HE TRP 54 6.797 3.912 -7.917 386 HE3 TRP 54 3HE TRP 54 6.148 3.732 -2.609 387 HZ2 TRP 54 2HZ TRP 54 8.351 5.924 -6.499 388 HZ3 TRP 54 3HZ TRP 54 7.642 5.614 -2.245 389 HH2 TRP 54 HH TRP 54 8.769 6.766 -4.205 390 H ASP 55 H ASP 55 3.523 5.117 -3.788 391 HA ASP 55 HA ASP 55 1.572 5.384 -6.015 392 HB2 ASP 55 1HB ASP 55 0.615 5.944 -3.839 393 HB3 ASP 55 2HB ASP 55 1.940 7.063 -3.502 394 H GLY 56 H GLY 56 2.945 5.705 -7.681 395 HA2 GLY 56 1HA GLY 56 5.315 7.298 -7.560 396 HA3 GLY 56 2HA GLY 56 4.488 6.708 -9.010 397 H GLU 57 H GLU 57 1.936 8.232 -7.669 398 HA GLU 57 HA GLU 57 2.256 10.653 -9.272 399 HB2 GLU 57 1HB GLU 57 0.262 10.164 -7.041 400 HB3 GLU 57 2HB GLU 57 0.193 11.399 -8.263 401 HG2 GLU 57 1HG GLU 57 -0.049 8.416 -8.838 402 HG3 GLU 57 2HG GLU 57 -1.378 9.541 -8.621 403 H ARG 58 H ARG 58 2.437 9.684 -5.875 404 HA ARG 58 HA ARG 58 3.376 12.384 -5.021 405 HB2 ARG 58 1HB ARG 58 2.117 10.015 -3.608 406 HB3 ARG 58 2HB ARG 58 2.646 11.482 -2.758 407 HG2 ARG 58 1HG ARG 58 1.065 12.851 -3.940 408 HG3 ARG 58 2HG ARG 58 0.675 11.569 -5.083 409 HD2 ARG 58 1HD ARG 58 -0.954 10.810 -3.830 410 HD3 ARG 58 2HD ARG 58 0.149 10.494 -2.485 411 HE ARG 58 HE ARG 58 -0.515 13.278 -2.649 412 HH11 ARG 58 1HH1 ARG 58 -2.172 10.232 -1.875 413 HH12 ARG 58 2HH1 ARG 58 -3.212 10.933 -0.683 414 HH21 ARG 58 1HH2 ARG 58 -1.903 14.231 -1.242 415 HH22 ARG 58 2HH2 ARG 58 -3.132 13.343 -0.398 416 H ARG 59 H ARG 59 4.703 9.382 -5.656 417 HA ARG 59 HA ARG 59 6.509 8.194 -5.165 418 HB2 ARG 59 1HB ARG 59 7.841 10.862 -4.653 419 HB3 ARG 59 2HB ARG 59 8.670 9.333 -4.866 420 HG2 ARG 59 1HG ARG 59 8.113 9.119 -7.148 421 HG3 ARG 59 2HG ARG 59 6.848 10.373 -7.083 422 HD2 ARG 59 1HD ARG 59 8.455 12.108 -6.683 423 HD3 ARG 59 2HD ARG 59 9.771 10.925 -6.511 424 HE ARG 59 HE ARG 59 8.497 10.816 -9.107 425 HH11 ARG 59 1HH1 ARG 59 10.688 12.855 -7.159 426 HH12 ARG 59 2HH1 ARG 59 11.585 13.431 -8.518 427 HH21 ARG 59 1HH2 ARG 59 9.693 11.643 -10.920 428 HH22 ARG 59 2HH2 ARG 59 11.003 12.744 -10.666 429 H THR 60 H THR 60 4.898 7.713 -3.328 430 HA THR 60 HA THR 60 6.465 7.707 -0.885 431 HB THR 60 HB THR 60 5.158 9.879 -0.891 432 HG1 THR 60 1HG THR 60 4.724 9.726 1.186 433 HG21 THR 60 3HG2 THR 60 2.720 8.117 -0.422 434 HG22 THR 60 1HG2 THR 60 3.056 8.936 -1.949 435 HG23 THR 60 2HG2 THR 60 2.784 9.891 -0.476 436 H TYR 61 H TYR 61 5.150 6.371 0.811 437 HA TYR 61 HA TYR 61 3.492 4.290 -0.539 438 HB2 TYR 61 1HB TYR 61 5.176 4.146 1.985 439 HB3 TYR 61 2HB TYR 61 3.939 2.968 1.565 440 HD1 TYR 61 2HD TYR 61 4.116 1.612 -0.541 441 HD2 TYR 61 1HD TYR 61 7.321 4.131 0.821 442 HE1 TYR 61 2HE TYR 61 5.716 0.207 -1.786 443 HE2 TYR 61 1HE TYR 61 8.938 2.783 -0.501 444 HH TYR 61 HH TYR 61 7.934 -0.126 -2.381 445 H VAL 62 H VAL 62 1.417 4.197 0.024 446 HA VAL 62 HA VAL 62 0.359 5.795 2.277 447 HB VAL 62 HB VAL 62 -1.616 6.056 0.435 448 HG11 VAL 62 1HG1 VAL 62 -0.714 7.884 1.765 449 HG12 VAL 62 2HG1 VAL 62 0.769 7.918 0.786 450 HG13 VAL 62 3HG1 VAL 62 -0.800 8.365 0.061 451 HG21 VAL 62 3HG2 VAL 62 0.920 6.446 -1.233 452 HG22 VAL 62 1HG2 VAL 62 -0.185 5.072 -1.415 453 HG23 VAL 62 2HG2 VAL 62 -0.748 6.720 -1.729 454 HA PRO 63 HA PRO 63 -1.620 2.009 3.098 455 HB2 PRO 63 1HB PRO 63 -3.875 2.602 4.467 456 HB3 PRO 63 2HB PRO 63 -2.226 2.847 5.127 457 HG2 PRO 63 1HG PRO 63 -4.022 4.868 3.791 458 HG3 PRO 63 2HG PRO 63 -3.078 5.052 5.310 459 HD2 PRO 63 1HD PRO 63 -2.198 6.021 2.913 460 HD3 PRO 63 2HD PRO 63 -1.080 5.341 4.141 461 H ALA 64 H ALA 64 -2.903 0.488 2.159 462 HA ALA 64 HA ALA 64 -4.787 1.428 0.059 463 HB1 ALA 64 1HB ALA 64 -2.759 0.225 -0.795 464 HB2 ALA 64 2HB ALA 64 -3.272 -1.208 0.122 465 HB3 ALA 64 3HB ALA 64 -4.297 -0.540 -1.182 466 H LEU 65 H LEU 65 -5.387 0.991 2.909 467 HA LEU 65 HA LEU 65 -7.311 -1.157 3.049 468 HB2 LEU 65 1HB LEU 65 -6.985 1.546 4.440 469 HB3 LEU 65 2HB LEU 65 -8.492 0.631 4.538 470 HG LEU 65 HG LEU 65 -7.110 -1.383 5.219 471 HD11 LEU 65 1HD1 LEU 65 -4.861 -0.740 4.656 472 HD12 LEU 65 2HD1 LEU 65 -4.969 -0.897 6.411 473 HD13 LEU 65 3HD1 LEU 65 -4.978 0.714 5.673 474 HD21 LEU 65 3HD2 LEU 65 -8.541 0.032 6.750 475 HD22 LEU 65 1HD2 LEU 65 -7.072 0.952 7.167 476 HD23 LEU 65 2HD2 LEU 65 -7.204 -0.776 7.549 477 H GLU 66 H GLU 66 -7.663 2.324 2.282 478 HA GLU 66 HA GLU 66 -10.174 1.567 0.890 479 HB2 GLU 66 1HB GLU 66 -10.338 2.562 3.162 480 HB3 GLU 66 2HB GLU 66 -9.514 4.013 2.588 481 HG2 GLU 66 1HG GLU 66 -11.985 4.242 2.687 482 HG3 GLU 66 2HG GLU 66 -11.334 4.539 1.080 483 H GLN 67 H GLN 67 -7.677 4.195 0.885 484 HA GLN 67 HA GLN 67 -7.254 5.838 -0.526 485 HB2 GLN 67 1HB GLN 67 -6.339 5.161 -2.618 486 HB3 GLN 67 2HB GLN 67 -5.907 4.030 -1.357 487 HG2 GLN 67 1HG GLN 67 -7.366 2.335 -2.197 488 HG3 GLN 67 2HG GLN 67 -8.199 3.469 -3.259 489 HE21 GLN 67 1HE2 GLN 67 -7.240 1.082 -4.355 490 HE22 GLN 67 2HE2 GLN 67 -5.937 1.509 -5.449 491 H SER 68 H SER 68 -10.272 5.334 -0.337 492 HA SER 68 HA SER 68 -11.127 6.557 -2.890 493 HB2 SER 68 1HB SER 68 -11.777 4.168 -2.034 494 HB3 SER 68 2HB SER 68 -12.899 5.039 -0.979 495 HG SER 68 HG SER 68 -13.712 6.025 -2.969 496 H ALA 69 H ALA 69 -10.421 7.960 -0.074 497 HA ALA 69 HA ALA 69 -11.082 9.817 0.999 498 HB1 ALA 69 1HB ALA 69 -12.294 11.520 -0.153 499 HB2 ALA 69 2HB ALA 69 -11.318 10.658 -1.376 500 HB3 ALA 69 3HB ALA 69 -13.055 10.358 -1.249 501 H ASP 70 H ASP 70 -11.971 7.759 2.183 502 HA ASP 70 HA ASP 70 -14.890 7.921 2.693 503 HB2 ASP 70 1HB ASP 70 -13.884 5.710 2.663 504 HB3 ASP 70 2HB ASP 70 -12.748 6.184 3.934 505 H GLY 71 H GLY 71 -12.009 7.989 4.848 506 HA2 GLY 71 1HA GLY 71 -12.435 10.421 6.188 507 HA3 GLY 71 2HA GLY 71 -13.354 9.142 7.015 508 H HIS 72 H HIS 72 -11.885 9.357 8.843 509 HA HIS 72 HA HIS 72 -9.219 8.079 8.504 510 HB2 HIS 72 1HB HIS 72 -9.376 10.644 8.922 511 HB3 HIS 72 2HB HIS 72 -9.908 10.213 10.543 512 HD1 HIS 72 1HD HIS 72 -8.008 8.725 11.974 513 HD2 HIS 72 2HD HIS 72 -6.830 10.711 8.466 514 HE1 HIS 72 1HE HIS 72 -5.453 8.901 12.077 515 H LYS 73 H LYS 73 -11.950 6.931 9.161 516 HA LYS 73 HA LYS 73 -12.331 6.849 12.006 517 HB2 LYS 73 1HB LYS 73 -13.533 5.199 9.735 518 HB3 LYS 73 2HB LYS 73 -14.050 5.137 11.417 519 HG2 LYS 73 1HG LYS 73 -14.504 7.618 11.333 520 HG3 LYS 73 2HG LYS 73 -14.161 7.568 9.583 521 HD2 LYS 73 1HD LYS 73 -15.899 5.809 9.325 522 HD3 LYS 73 2HD LYS 73 -16.239 5.903 11.069 523 HE2 LYS 73 1HE LYS 73 -17.054 8.169 10.878 524 HE3 LYS 73 2HE LYS 73 -16.475 8.295 9.210 525 HZ1 LYS 73 3HZ LYS 73 -18.851 7.869 9.324 526 HZ2 LYS 73 1HZ LYS 73 -18.557 6.400 10.043 527 HZ3 LYS 73 2HZ LYS 73 -18.027 6.730 8.505 528 H GLU 74 H GLU 74 -10.698 5.983 13.082 529 HA GLU 74 HA GLU 74 -9.072 4.626 13.845 530 HB2 GLU 74 1HB GLU 74 -11.294 2.967 13.881 531 HB3 GLU 74 2HB GLU 74 -10.070 2.039 12.935 532 HG2 GLU 74 1HG GLU 74 -8.453 2.346 14.756 533 HG3 GLU 74 2HG GLU 74 -9.666 3.219 15.693 534 H THR 75 H THR 75 -7.925 5.653 11.984 535 HA THR 75 HA THR 75 -6.136 5.298 10.631 536 HB THR 75 HB THR 75 -6.686 2.321 10.596 537 HG1 THR 75 1HG THR 75 -6.496 2.130 12.633 538 HG21 THR 75 3HG2 THR 75 -4.098 3.732 10.991 539 HG22 THR 75 1HG2 THR 75 -4.763 3.109 9.444 540 HG23 THR 75 2HG2 THR 75 -4.450 1.980 10.777 541 H GLY 76 H GLY 76 -9.008 3.395 9.759 542 HA2 GLY 76 1HA GLY 76 -9.316 4.279 7.072 543 HA3 GLY 76 2HA GLY 76 -8.213 2.898 7.072 544 H ALA 77 H ALA 77 -10.433 2.313 5.717 545 HA ALA 77 HA ALA 77 -12.456 1.187 7.592 546 HB1 ALA 77 1HB ALA 77 -12.736 2.117 4.691 547 HB2 ALA 77 2HB ALA 77 -14.026 1.411 5.672 548 HB3 ALA 77 3HB ALA 77 -13.342 2.973 6.140 549 HA PRO 78 HA PRO 78 -11.466 -2.809 5.741 550 HB2 PRO 78 1HB PRO 78 -13.820 -4.186 5.959 551 HB3 PRO 78 2HB PRO 78 -12.784 -3.809 7.361 552 HG2 PRO 78 1HG PRO 78 -15.263 -2.342 6.415 553 HG3 PRO 78 2HG PRO 78 -14.826 -2.814 8.083 554 HD2 PRO 78 1HD PRO 78 -14.400 -0.296 7.065 555 HD3 PRO 78 2HD PRO 78 -13.328 -1.024 8.293 556 H SER 79 H SER 79 -11.196 -3.044 3.589 557 HA SER 79 HA SER 79 -13.563 -3.018 1.802 558 HB2 SER 79 1HB SER 79 -11.134 -1.275 1.608 559 HB3 SER 79 2HB SER 79 -11.769 -1.968 0.109 560 HG SER 79 HG SER 79 -12.755 0.124 1.502 561 H LYS 80 H LYS 80 -13.484 -5.217 2.217 562 HA LYS 80 HA LYS 80 -11.806 -6.666 0.263 563 HB2 LYS 80 1HB LYS 80 -10.849 -6.574 2.823 564 HB3 LYS 80 2HB LYS 80 -12.018 -7.865 2.993 565 HG2 LYS 80 1HG LYS 80 -10.019 -8.944 2.549 566 HG3 LYS 80 2HG LYS 80 -10.858 -9.024 1.003 567 HD2 LYS 80 1HD LYS 80 -9.470 -7.361 0.017 568 HD3 LYS 80 2HD LYS 80 -8.933 -6.728 1.576 569 HE2 LYS 80 1HE LYS 80 -8.235 -9.507 0.547 570 HE3 LYS 80 2HE LYS 80 -7.199 -8.086 0.347 571 HZ1 LYS 80 3HZ LYS 80 -6.658 -9.469 2.299 572 HZ2 LYS 80 1HZ LYS 80 -8.097 -9.114 2.982 573 HZ3 LYS 80 2HZ LYS 80 -7.036 -7.906 2.730 574 H GLU 81 H GLU 81 -14.749 -6.363 2.195 575 HA GLU 81 HA GLU 81 -15.685 -9.062 1.789 576 HB2 GLU 81 1HB GLU 81 -16.887 -6.522 2.881 577 HB3 GLU 81 2HB GLU 81 -17.921 -7.900 2.534 578 HG2 GLU 81 1HG GLU 81 -16.569 -9.339 3.968 579 HG3 GLU 81 2HG GLU 81 -15.471 -8.000 4.331 580 H GLY 82 H GLY 82 -15.061 -7.064 -0.584 581 HA2 GLY 82 1HA GLY 82 -15.515 -7.665 -2.792 582 HA3 GLY 82 2HA GLY 82 -17.104 -8.288 -2.329 583 H LYS 83 H LYS 83 -17.551 -5.600 -0.729 584 HA LYS 83 HA LYS 83 -18.368 -4.025 -3.067 585 HB2 LYS 83 1HB LYS 83 -18.876 -3.238 -0.183 586 HB3 LYS 83 2HB LYS 83 -19.573 -2.589 -1.643 587 HG2 LYS 83 1HG LYS 83 -21.310 -3.780 -0.865 588 HG3 LYS 83 2HG LYS 83 -20.628 -4.945 -2.014 589 HD2 LYS 83 1HD LYS 83 -19.730 -6.286 -0.230 590 HD3 LYS 83 2HD LYS 83 -19.825 -4.936 0.917 591 HE2 LYS 83 1HE LYS 83 -22.287 -4.965 0.782 592 HE3 LYS 83 2HE LYS 83 -22.212 -6.425 -0.231 593 HZ1 LYS 83 3HZ LYS 83 -21.499 -7.668 1.558 594 HZ2 LYS 83 1HZ LYS 83 -22.429 -6.574 2.344 595 HZ3 LYS 83 2HZ LYS 83 -20.816 -6.382 2.346 596 H GLU 84 H GLU 84 -15.618 -4.517 -1.769 597 HA GLU 84 HA GLU 84 -14.217 -2.619 -0.529 598 HB2 GLU 84 1HB GLU 84 -12.308 -3.760 -1.580 599 HB3 GLU 84 2HB GLU 84 -13.578 -4.908 -1.164 600 HG2 GLU 84 1HG GLU 84 -14.378 -4.809 -3.568 601 HG3 GLU 84 2HG GLU 84 -13.003 -3.774 -3.950 602 H LYS 85 H LYS 85 -15.765 -0.965 -2.530 603 HA LYS 85 HA LYS 85 -14.032 0.683 -4.021 604 HB2 LYS 85 1HB LYS 85 -13.403 -1.474 -5.102 605 HB3 LYS 85 2HB LYS 85 -15.074 -1.805 -5.495 606 HG2 LYS 85 1HG LYS 85 -13.758 0.700 -6.592 607 HG3 LYS 85 2HG LYS 85 -13.281 -0.884 -7.198 608 HD2 LYS 85 1HD LYS 85 -15.769 -1.360 -7.643 609 HD3 LYS 85 2HD LYS 85 -16.039 0.361 -7.373 610 HE2 LYS 85 1HE LYS 85 -15.836 0.005 -9.703 611 HE3 LYS 85 2HE LYS 85 -14.403 0.898 -9.170 612 HZ1 LYS 85 3HZ LYS 85 -14.389 -2.050 -9.476 613 HZ2 LYS 85 1HZ LYS 85 -13.095 -1.025 -9.442 614 HZ3 LYS 85 2HZ LYS 85 -14.087 -1.068 -10.747 615 H LYS 86 H LYS 86 -17.140 -0.680 -3.304 616 HA LYS 86 HA LYS 86 -18.684 1.228 -4.931 617 HB2 LYS 86 1HB LYS 86 -20.010 -0.692 -5.875 618 HB3 LYS 86 2HB LYS 86 -18.349 -0.629 -6.472 619 HG2 LYS 86 1HG LYS 86 -17.650 -2.471 -5.200 620 HG3 LYS 86 2HG LYS 86 -18.948 -2.262 -4.024 621 HD2 LYS 86 1HD LYS 86 -19.236 -4.291 -5.228 622 HD3 LYS 86 2HD LYS 86 -20.602 -3.214 -5.524 623 HE2 LYS 86 1HE LYS 86 -18.216 -3.338 -7.409 624 HE3 LYS 86 2HE LYS 86 -19.485 -4.567 -7.501 625 HZ1 LYS 86 3HZ LYS 86 -20.122 -1.699 -7.662 626 HZ2 LYS 86 1HZ LYS 86 -21.060 -2.997 -8.109 627 HZ3 LYS 86 2HZ LYS 86 -19.700 -2.598 -8.965 628 H GLU 87 H GLU 87 -18.147 0.549 -2.027 629 HA GLU 87 HA GLU 87 -20.508 -0.459 -0.776 630 HB2 GLU 87 1HB GLU 87 -19.462 0.247 1.272 631 HB3 GLU 87 2HB GLU 87 -18.317 -0.577 0.239 632 HG2 GLU 87 1HG GLU 87 -18.489 2.402 0.802 633 HG3 GLU 87 2HG GLU 87 -17.226 1.302 1.325 634 H LYS 88 H LYS 88 -21.599 1.149 -2.560 635 HA LYS 88 HA LYS 88 -22.730 3.416 -0.992 636 HB2 LYS 88 1HB LYS 88 -22.055 3.172 -3.934 637 HB3 LYS 88 2HB LYS 88 -23.423 4.161 -3.407 638 HG2 LYS 88 1HG LYS 88 -22.007 5.437 -1.876 639 HG3 LYS 88 2HG LYS 88 -20.604 4.441 -2.293 640 HD2 LYS 88 1HD LYS 88 -20.529 5.343 -4.543 641 HD3 LYS 88 2HD LYS 88 -22.114 6.110 -4.330 642 HE2 LYS 88 1HE LYS 88 -20.450 7.831 -4.098 643 HE3 LYS 88 2HE LYS 88 -21.213 7.544 -2.532 644 HZ1 LYS 88 3HZ LYS 88 -18.514 6.625 -3.346 645 HZ2 LYS 88 1HZ LYS 88 -19.232 6.217 -1.913 646 HZ3 LYS 88 2HZ LYS 88 -18.900 7.786 -2.254 647 H HIS 89 H HIS 89 -24.527 2.683 -0.142 648 HA HIS 89 HA HIS 89 -26.176 0.588 -1.304 649 HB2 HIS 89 1HB HIS 89 -26.707 2.687 0.841 650 HB3 HIS 89 2HB HIS 89 -27.750 1.308 0.486 651 HD1 HIS 89 1HD HIS 89 -25.119 2.256 2.884 652 HD2 HIS 89 2HD HIS 89 -26.236 -1.222 0.753 653 HE1 HIS 89 1HE HIS 89 -24.025 0.289 4.059 654 H LYS 90 H LYS 90 -28.265 1.023 -2.259 655 HA LYS 90 HA LYS 90 -28.570 3.627 -3.662 656 HB2 LYS 90 1HB LYS 90 -29.798 0.904 -3.845 657 HB3 LYS 90 2HB LYS 90 -30.926 2.228 -4.073 658 HG2 LYS 90 1HG LYS 90 -28.309 2.292 -5.585 659 HG3 LYS 90 2HG LYS 90 -29.604 1.210 -6.126 660 HD2 LYS 90 1HD LYS 90 -31.154 3.048 -6.409 661 HD3 LYS 90 2HD LYS 90 -30.050 4.180 -5.632 662 HE2 LYS 90 1HE LYS 90 -30.095 4.482 -8.069 663 HE3 LYS 90 2HE LYS 90 -28.485 4.079 -7.467 664 HZ1 LYS 90 3HZ LYS 90 -29.026 2.877 -9.489 665 HZ2 LYS 90 1HZ LYS 90 -30.292 2.108 -8.782 666 HZ3 LYS 90 2HZ LYS 90 -28.754 1.849 -8.264 667 H THR 91 H THR 91 -28.825 5.143 -1.996 668 HA THR 91 HA THR 91 -31.397 4.980 -0.628 669 HB THR 91 HB THR 91 -29.193 6.045 1.066 670 HG1 THR 91 1HG THR 91 -28.058 4.388 1.218 671 HG21 THR 91 3HG2 THR 91 -31.504 4.135 1.605 672 HG22 THR 91 1HG2 THR 91 -31.511 5.895 1.877 673 HG23 THR 91 2HG2 THR 91 -30.446 4.848 2.833 674 H LYS 92 H LYS 92 -32.242 6.983 -0.284 675 HA LYS 92 HA LYS 92 -32.888 8.985 -0.899 676 HB2 LYS 92 1HB LYS 92 -30.751 9.710 0.487 677 HB3 LYS 92 2HB LYS 92 -30.070 10.045 -1.102 678 HG2 LYS 92 1HG LYS 92 -32.587 11.270 -1.272 679 HG3 LYS 92 2HG LYS 92 -32.223 11.425 0.442 680 HD2 LYS 92 1HD LYS 92 -31.481 13.423 -0.669 681 HD3 LYS 92 2HD LYS 92 -30.049 12.532 -0.135 682 HE2 LYS 92 1HE LYS 92 -29.766 13.492 -2.394 683 HE3 LYS 92 2HE LYS 92 -29.656 11.732 -2.425 684 HZ1 LYS 92 3HZ LYS 92 -31.055 12.868 -4.166 685 HZ2 LYS 92 1HZ LYS 92 -32.190 13.024 -3.054 686 HZ3 LYS 92 2HZ LYS 92 -31.636 11.496 -3.454 Start of MODEL 15 1 H1 GLY 1 H GLY 1 21.428 27.228 -1.668 2 HA2 GLY 1 1HA GLY 1 22.997 25.905 -2.950 3 HA3 GLY 1 2HA GLY 1 24.161 26.080 -1.608 4 H HIS 2 H HIS 2 22.263 23.723 -2.936 5 HA HIS 2 HA HIS 2 21.562 22.537 -0.325 6 HB2 HIS 2 1HB HIS 2 19.866 22.645 -2.851 7 HB3 HIS 2 2HB HIS 2 19.552 21.631 -1.440 8 HD1 HIS 2 1HD HIS 2 18.738 22.919 0.818 9 HD2 HIS 2 2HD HIS 2 19.058 25.167 -2.710 10 HE1 HIS 2 1HE HIS 2 17.687 25.190 1.325 11 H MET 3 H MET 3 21.897 20.354 -0.275 12 HA MET 3 HA MET 3 22.108 18.701 -2.550 13 HB2 MET 3 1HB MET 3 24.365 17.848 -2.192 14 HB3 MET 3 2HB MET 3 24.426 19.526 -2.681 15 HG2 MET 3 1HG MET 3 25.121 20.243 -0.535 16 HG3 MET 3 2HG MET 3 24.576 18.756 0.237 17 HE1 MET 3 3HE MET 3 27.277 19.645 1.148 18 HE2 MET 3 1HE MET 3 26.600 18.044 1.529 19 HE3 MET 3 2HE MET 3 28.271 18.185 0.941 20 H GLN 4 H GLN 4 23.237 16.488 -1.284 21 HA GLN 4 HA GLN 4 21.250 15.637 0.599 22 HB2 GLN 4 1HB GLN 4 24.010 14.515 -0.043 23 HB3 GLN 4 2HB GLN 4 22.741 13.670 0.846 24 HG2 GLN 4 1HG GLN 4 21.276 13.718 -1.136 25 HG3 GLN 4 2HG GLN 4 22.510 14.577 -2.069 26 HE21 GLN 4 1HE2 GLN 4 24.520 13.448 -2.604 27 HE22 GLN 4 2HE2 GLN 4 24.634 11.697 -2.452 28 H GLU 5 H GLU 5 21.939 14.785 2.859 29 HA GLU 5 HA GLU 5 23.968 16.446 4.165 30 HB2 GLU 5 1HB GLU 5 22.109 17.153 5.890 31 HB3 GLU 5 2HB GLU 5 22.497 18.111 4.464 32 HG2 GLU 5 1HG GLU 5 20.624 17.293 3.235 33 HG3 GLU 5 2HG GLU 5 20.301 16.044 4.444 34 H SER 6 H SER 6 21.228 15.031 5.866 35 HA SER 6 HA SER 6 22.652 12.508 6.421 36 HB2 SER 6 1HB SER 6 23.322 14.722 7.856 37 HB3 SER 6 2HB SER 6 21.860 14.283 8.737 38 HG SER 6 HG SER 6 24.218 12.736 8.309 39 H TYR 7 H TYR 7 19.923 13.535 5.370 40 HA TYR 7 HA TYR 7 18.069 13.156 7.558 41 HB2 TYR 7 1HB TYR 7 16.326 13.731 6.065 42 HB3 TYR 7 2HB TYR 7 17.670 14.800 5.743 43 HD1 TYR 7 1HD TYR 7 18.929 14.622 3.578 44 HD2 TYR 7 2HD TYR 7 15.511 12.126 4.417 45 HE1 TYR 7 1HE TYR 7 18.839 13.932 1.186 46 HE2 TYR 7 2HE TYR 7 15.396 11.479 2.047 47 HH TYR 7 HH TYR 7 16.385 12.367 -0.350 48 H SER 8 H SER 8 19.338 11.222 5.008 49 HA SER 8 HA SER 8 19.292 9.182 4.350 50 HB2 SER 8 1HB SER 8 19.949 7.883 5.922 51 HB3 SER 8 2HB SER 8 19.568 9.164 7.063 52 HG SER 8 HG SER 8 18.138 7.864 7.884 53 H GLN 9 H GLN 9 18.088 7.325 3.553 54 HA GLN 9 HA GLN 9 15.246 7.360 3.784 55 HB2 GLN 9 1HB GLN 9 14.643 8.067 1.656 56 HB3 GLN 9 2HB GLN 9 15.795 9.264 2.201 57 HG2 GLN 9 1HG GLN 9 16.335 7.011 0.242 58 HG3 GLN 9 2HG GLN 9 16.132 8.723 -0.128 59 HE21 GLN 9 1HE2 GLN 9 17.744 10.270 0.532 60 HE22 GLN 9 2HE2 GLN 9 19.401 9.661 0.465 61 H TYR 10 H TYR 10 14.543 5.840 1.643 62 HA TYR 10 HA TYR 10 15.480 3.295 2.766 63 HB2 TYR 10 1HB TYR 10 13.173 4.277 1.091 64 HB3 TYR 10 2HB TYR 10 13.530 2.581 1.120 65 HD1 TYR 10 2HD TYR 10 12.599 5.468 3.297 66 HD2 TYR 10 1HD TYR 10 13.040 1.187 2.989 67 HE1 TYR 10 2HE TYR 10 11.564 5.207 5.528 68 HE2 TYR 10 1HE TYR 10 12.022 0.909 5.219 69 HH TYR 10 HH TYR 10 11.878 2.352 7.326 70 HA PRO 11 HA PRO 11 17.601 1.887 -1.017 71 HB2 PRO 11 1HB PRO 11 16.867 -0.740 -1.141 72 HB3 PRO 11 2HB PRO 11 18.019 -0.112 0.078 73 HG2 PRO 11 1HG PRO 11 15.045 -0.592 0.396 74 HG3 PRO 11 2HG PRO 11 16.359 -1.128 1.477 75 HD2 PRO 11 1HD PRO 11 14.933 1.111 1.980 76 HD3 PRO 11 2HD PRO 11 16.672 1.090 2.320 77 H VAL 12 H VAL 12 16.920 0.822 -3.155 78 HA VAL 12 HA VAL 12 14.329 2.013 -3.975 79 HB VAL 12 HB VAL 12 16.856 1.539 -5.600 80 HG11 VAL 12 1HG1 VAL 12 14.825 1.573 -7.001 81 HG12 VAL 12 2HG1 VAL 12 14.295 3.080 -6.229 82 HG13 VAL 12 3HG1 VAL 12 15.760 3.046 -7.237 83 HG21 VAL 12 3HG2 VAL 12 17.337 3.227 -3.942 84 HG22 VAL 12 1HG2 VAL 12 17.094 4.027 -5.491 85 HG23 VAL 12 2HG2 VAL 12 15.805 4.064 -4.270 86 HA PRO 13 HA PRO 13 13.907 -2.526 -4.530 87 HB2 PRO 13 1HB PRO 13 11.347 -2.898 -3.876 88 HB3 PRO 13 2HB PRO 13 12.533 -2.462 -2.615 89 HG2 PRO 13 1HG PRO 13 10.621 -0.580 -4.067 90 HG3 PRO 13 2HG PRO 13 10.897 -0.721 -2.319 91 HD2 PRO 13 1HD PRO 13 12.220 1.128 -3.859 92 HD3 PRO 13 2HD PRO 13 12.952 0.348 -2.431 93 H ASP 14 H ASP 14 12.517 -3.849 -6.039 94 HA ASP 14 HA ASP 14 10.981 -2.395 -8.071 95 HB2 ASP 14 1HB ASP 14 13.351 -2.548 -8.930 96 HB3 ASP 14 2HB ASP 14 13.242 -4.310 -8.782 97 H VAL 15 H VAL 15 9.181 -3.597 -8.471 98 HA VAL 15 HA VAL 15 8.528 -5.932 -7.031 99 HB VAL 15 HB VAL 15 6.886 -4.326 -7.852 100 HG11 VAL 15 1HG1 VAL 15 7.882 -3.764 -10.042 101 HG12 VAL 15 2HG1 VAL 15 7.428 -5.368 -10.660 102 HG13 VAL 15 3HG1 VAL 15 6.182 -4.200 -10.174 103 HG21 VAL 15 3HG2 VAL 15 6.492 -7.179 -8.862 104 HG22 VAL 15 1HG2 VAL 15 5.974 -6.450 -7.323 105 HG23 VAL 15 2HG2 VAL 15 5.234 -5.966 -8.853 106 H SER 16 H SER 16 10.264 -5.542 -10.029 107 HA SER 16 HA SER 16 10.208 -8.010 -11.279 108 HB2 SER 16 1HB SER 16 11.479 -5.997 -11.906 109 HB3 SER 16 2HB SER 16 12.557 -6.221 -10.529 110 HG SER 16 HG SER 16 13.627 -6.990 -12.181 111 H THR 17 H THR 17 11.487 -7.265 -8.083 112 HA THR 17 HA THR 17 12.873 -9.891 -7.907 113 HB THR 17 HB THR 17 14.268 -8.820 -6.256 114 HG1 THR 17 1HG THR 17 12.593 -6.537 -6.633 115 HG21 THR 17 3HG2 THR 17 15.471 -7.225 -7.609 116 HG22 THR 17 1HG2 THR 17 14.074 -6.961 -8.660 117 HG23 THR 17 2HG2 THR 17 14.885 -8.544 -8.647 118 H TYR 18 H TYR 18 9.870 -8.759 -7.064 119 HA TYR 18 HA TYR 18 9.850 -9.534 -4.251 120 HB2 TYR 18 1HB TYR 18 7.675 -8.767 -6.221 121 HB3 TYR 18 2HB TYR 18 7.380 -9.164 -4.542 122 HD1 TYR 18 1HD TYR 18 10.415 -7.530 -4.193 123 HD2 TYR 18 2HD TYR 18 6.292 -6.786 -5.149 124 HE1 TYR 18 1HE TYR 18 10.738 -5.178 -3.667 125 HE2 TYR 18 2HE TYR 18 6.595 -4.392 -4.735 126 HH TYR 18 HH TYR 18 8.182 -2.692 -4.191 127 H GLN 19 H GLN 19 7.924 -11.013 -3.686 128 HA GLN 19 HA GLN 19 8.279 -13.635 -5.132 129 HB2 GLN 19 1HB GLN 19 8.012 -12.949 -2.160 130 HB3 GLN 19 2HB GLN 19 7.869 -14.578 -2.834 131 HG2 GLN 19 1HG GLN 19 10.157 -14.494 -3.684 132 HG3 GLN 19 2HG GLN 19 10.323 -12.809 -3.164 133 HE21 GLN 19 1HE2 GLN 19 12.225 -13.519 -2.006 134 HE22 GLN 19 2HE2 GLN 19 12.099 -14.375 -0.484 135 H TYR 20 H TYR 20 6.449 -13.921 -6.293 136 HA TYR 20 HA TYR 20 3.909 -12.777 -5.528 137 HB2 TYR 20 1HB TYR 20 4.665 -13.337 -7.827 138 HB3 TYR 20 2HB TYR 20 4.566 -15.042 -7.434 139 HD1 TYR 20 2HD TYR 20 2.584 -11.852 -7.475 140 HD2 TYR 20 1HD TYR 20 2.449 -16.152 -7.852 141 HE1 TYR 20 2HE TYR 20 0.256 -11.688 -8.203 142 HE2 TYR 20 1HE TYR 20 0.083 -15.998 -8.573 143 HH TYR 20 HH TYR 20 -1.631 -12.849 -8.849 144 H ASP 21 H ASP 21 2.159 -13.803 -4.602 145 HA ASP 21 HA ASP 21 2.433 -16.586 -3.596 146 HB2 ASP 21 1HB ASP 21 2.512 -14.290 -1.877 147 HB3 ASP 21 2HB ASP 21 0.956 -15.046 -1.633 148 H GLU 22 H GLU 22 1.195 -17.152 -5.314 149 HA GLU 22 HA GLU 22 -1.174 -16.121 -6.324 150 HB2 GLU 22 1HB GLU 22 -1.625 -18.661 -6.837 151 HB3 GLU 22 2HB GLU 22 -0.306 -17.823 -7.630 152 HG2 GLU 22 1HG GLU 22 1.331 -18.797 -6.313 153 HG3 GLU 22 2HG GLU 22 0.192 -19.351 -5.069 154 H THR 23 H THR 23 -0.800 -18.095 -3.425 155 HA THR 23 HA THR 23 -3.480 -18.834 -3.052 156 HB THR 23 HB THR 23 -1.691 -19.931 -1.941 157 HG1 THR 23 1HG THR 23 -3.729 -19.649 -0.769 158 HG21 THR 23 3HG2 THR 23 -0.376 -18.931 -0.103 159 HG22 THR 23 1HG2 THR 23 -1.028 -17.333 -0.541 160 HG23 THR 23 2HG2 THR 23 -0.032 -18.252 -1.684 161 H SER 24 H SER 24 -2.057 -15.695 -2.669 162 HA SER 24 HA SER 24 -4.843 -14.777 -2.002 163 HB2 SER 24 1HB SER 24 -2.228 -13.282 -1.650 164 HB3 SER 24 2HB SER 24 -3.827 -12.534 -1.591 165 HG SER 24 HG SER 24 -3.080 -14.734 0.066 166 H GLY 25 H GLY 25 -1.911 -14.228 -4.009 167 HA2 GLY 25 1HA GLY 25 -2.171 -14.054 -6.421 168 HA3 GLY 25 2HA GLY 25 -3.600 -13.033 -6.159 169 H TYR 26 H TYR 26 -1.044 -12.470 -3.889 170 HA TYR 26 HA TYR 26 -0.551 -9.834 -5.209 171 HB2 TYR 26 1HB TYR 26 -1.025 -10.728 -2.373 172 HB3 TYR 26 2HB TYR 26 0.169 -9.497 -2.566 173 HD1 TYR 26 2HD TYR 26 -3.076 -10.032 -4.513 174 HD2 TYR 26 1HD TYR 26 -0.873 -7.494 -1.795 175 HE1 TYR 26 2HE TYR 26 -4.748 -8.282 -4.797 176 HE2 TYR 26 1HE TYR 26 -2.628 -5.774 -2.004 177 HH TYR 26 HH TYR 26 -4.658 -5.213 -3.009 178 H TYR 27 H TYR 27 1.544 -8.931 -4.405 179 HA TYR 27 HA TYR 27 3.741 -10.935 -4.606 180 HB2 TYR 27 1HB TYR 27 3.684 -7.935 -5.073 181 HB3 TYR 27 2HB TYR 27 5.148 -8.905 -5.014 182 HD1 TYR 27 1HD TYR 27 2.069 -8.193 -6.971 183 HD2 TYR 27 2HD TYR 27 5.738 -10.472 -6.812 184 HE1 TYR 27 1HE TYR 27 1.786 -8.867 -9.365 185 HE2 TYR 27 2HE TYR 27 5.429 -11.146 -9.152 186 HH TYR 27 HH TYR 27 4.027 -11.058 -10.999 187 H TYR 28 H TYR 28 5.228 -10.966 -2.970 188 HA TYR 28 HA TYR 28 4.689 -9.411 -0.507 189 HB2 TYR 28 1HB TYR 28 4.436 -11.806 -0.091 190 HB3 TYR 28 2HB TYR 28 5.889 -12.167 -0.999 191 HD1 TYR 28 2HD TYR 28 5.168 -9.638 1.715 192 HD2 TYR 28 1HD TYR 28 7.574 -12.966 0.374 193 HE1 TYR 28 2HE TYR 28 6.573 -9.439 3.738 194 HE2 TYR 28 1HE TYR 28 9.014 -12.738 2.362 195 HH TYR 28 HH TYR 28 9.010 -11.886 4.538 196 H ASP 29 H ASP 29 6.293 -8.101 0.107 197 HA ASP 29 HA ASP 29 8.565 -7.825 -1.666 198 HB2 ASP 29 1HB ASP 29 7.481 -5.570 -0.074 199 HB3 ASP 29 2HB ASP 29 8.214 -5.621 -1.646 200 HA PRO 30 HA PRO 30 10.314 -8.921 2.515 201 HB2 PRO 30 1HB PRO 30 12.684 -10.017 1.542 202 HB3 PRO 30 2HB PRO 30 11.167 -10.936 1.864 203 HG2 PRO 30 1HG PRO 30 12.209 -9.830 -0.751 204 HG3 PRO 30 2HG PRO 30 11.435 -11.417 -0.445 205 HD2 PRO 30 1HD PRO 30 10.057 -9.353 -1.520 206 HD3 PRO 30 2HD PRO 30 9.282 -10.439 -0.331 207 H GLN 31 H GLN 31 11.280 -6.839 0.003 208 HA GLN 31 HA GLN 31 13.798 -5.904 1.039 209 HB2 GLN 31 1HB GLN 31 11.699 -4.823 -0.901 210 HB3 GLN 31 2HB GLN 31 13.074 -3.830 -0.430 211 HG2 GLN 31 1HG GLN 31 13.475 -6.604 -1.628 212 HG3 GLN 31 2HG GLN 31 13.276 -5.165 -2.617 213 HE21 GLN 31 1HE2 GLN 31 15.519 -6.823 -0.375 214 HE22 GLN 31 2HE2 GLN 31 16.789 -5.650 -0.505 215 H THR 32 H THR 32 10.427 -5.441 1.924 216 HA THR 32 HA THR 32 11.298 -3.586 4.057 217 HB THR 32 HB THR 32 8.994 -2.473 3.601 218 HG1 THR 32 1HG THR 32 9.431 -3.131 0.912 219 HG21 THR 32 3HG2 THR 32 11.223 -1.972 1.589 220 HG22 THR 32 1HG2 THR 32 11.275 -1.427 3.280 221 HG23 THR 32 2HG2 THR 32 10.013 -0.819 2.208 222 H GLY 33 H GLY 33 9.148 -6.178 2.991 223 HA2 GLY 33 1HA GLY 33 7.854 -7.590 4.313 224 HA3 GLY 33 2HA GLY 33 8.149 -6.568 5.729 225 H LEU 34 H LEU 34 7.089 -5.682 2.419 226 HA LEU 34 HA LEU 34 4.366 -4.988 3.403 227 HB2 LEU 34 1HB LEU 34 5.824 -3.789 1.027 228 HB3 LEU 34 2HB LEU 34 4.208 -3.376 1.559 229 HG LEU 34 HG LEU 34 6.697 -2.889 3.273 230 HD11 LEU 34 1HD1 LEU 34 5.192 -0.932 1.495 231 HD12 LEU 34 2HD1 LEU 34 6.809 -1.605 1.181 232 HD13 LEU 34 3HD1 LEU 34 6.554 -0.566 2.587 233 HD21 LEU 34 3HD2 LEU 34 4.634 -3.024 4.563 234 HD22 LEU 34 1HD2 LEU 34 3.838 -1.870 3.469 235 HD23 LEU 34 2HD2 LEU 34 5.200 -1.353 4.502 236 H TYR 35 H TYR 35 2.899 -5.067 1.279 237 HA TYR 35 HA TYR 35 3.659 -7.322 -0.462 238 HB2 TYR 35 1HB TYR 35 0.979 -6.781 0.888 239 HB3 TYR 35 2HB TYR 35 1.109 -7.699 -0.594 240 HD1 TYR 35 1HD TYR 35 2.410 -7.652 2.937 241 HD2 TYR 35 2HD TYR 35 1.533 -9.985 -0.573 242 HE1 TYR 35 1HE TYR 35 3.042 -9.700 4.149 243 HE2 TYR 35 2HE TYR 35 2.156 -12.022 0.581 244 HH TYR 35 HH TYR 35 3.206 -12.918 2.557 245 H TYR 36 H TYR 36 2.901 -6.938 -2.611 246 HA TYR 36 HA TYR 36 1.868 -4.194 -3.271 247 HB2 TYR 36 1HB TYR 36 4.211 -4.245 -3.652 248 HB3 TYR 36 2HB TYR 36 4.153 -5.835 -4.382 249 HD1 TYR 36 1HD TYR 36 3.297 -6.186 -6.652 250 HD2 TYR 36 2HD TYR 36 3.652 -2.261 -4.956 251 HE1 TYR 36 1HE TYR 36 3.097 -5.231 -8.912 252 HE2 TYR 36 2HE TYR 36 3.597 -1.255 -7.239 253 HH TYR 36 HH TYR 36 3.234 -3.403 -10.151 254 H ASP 37 H ASP 37 0.641 -4.073 -5.297 255 HA ASP 37 HA ASP 37 -0.375 -6.688 -6.308 256 HB2 ASP 37 1HB ASP 37 -2.068 -5.638 -4.886 257 HB3 ASP 37 2HB ASP 37 -1.902 -4.154 -5.825 258 HA PRO 38 HA PRO 38 0.962 -4.860 -10.090 259 HB2 PRO 38 1HB PRO 38 -0.292 -6.472 -11.969 260 HB3 PRO 38 2HB PRO 38 1.088 -6.999 -10.956 261 HG2 PRO 38 1HG PRO 38 -1.883 -7.374 -10.378 262 HG3 PRO 38 2HG PRO 38 -0.590 -8.642 -10.339 263 HD2 PRO 38 1HD PRO 38 -1.397 -7.510 -8.123 264 HD3 PRO 38 2HD PRO 38 0.335 -7.719 -8.374 265 H ASN 39 H ASN 39 -2.601 -5.068 -9.588 266 HA ASN 39 HA ASN 39 -3.143 -3.071 -11.696 267 HB2 ASN 39 1HB ASN 39 -4.767 -4.680 -9.719 268 HB3 ASN 39 2HB ASN 39 -5.351 -3.090 -10.164 269 HD21 ASN 39 1HD2 ASN 39 -5.197 -6.372 -11.189 270 HD22 ASN 39 2HD2 ASN 39 -5.837 -6.113 -12.790 271 H SER 40 H SER 40 -2.423 -3.348 -8.292 272 HA SER 40 HA SER 40 -3.119 -0.502 -7.825 273 HB2 SER 40 1HB SER 40 -3.304 -2.610 -5.704 274 HB3 SER 40 2HB SER 40 -4.231 -1.136 -5.919 275 HG SER 40 HG SER 40 -4.342 -3.605 -7.310 276 H GLN 41 H GLN 41 -1.058 0.347 -8.055 277 HA GLN 41 HA GLN 41 1.295 -0.685 -6.821 278 HB2 GLN 41 1HB GLN 41 0.625 1.978 -8.053 279 HB3 GLN 41 2HB GLN 41 2.210 1.598 -7.369 280 HG2 GLN 41 1HG GLN 41 2.242 1.281 -9.724 281 HG3 GLN 41 2HG GLN 41 2.596 -0.196 -8.884 282 HE21 GLN 41 1HE2 GLN 41 0.966 -1.989 -8.957 283 HE22 GLN 41 2HE2 GLN 41 -0.127 -2.028 -10.300 284 H TYR 42 H TYR 42 -1.169 0.098 -5.041 285 HA TYR 42 HA TYR 42 0.031 1.819 -2.986 286 HB2 TYR 42 1HB TYR 42 -2.659 0.382 -3.065 287 HB3 TYR 42 2HB TYR 42 -2.177 1.579 -1.886 288 HD1 TYR 42 1HD TYR 42 -1.549 3.937 -2.824 289 HD2 TYR 42 2HD TYR 42 -3.727 1.001 -5.083 290 HE1 TYR 42 1HE TYR 42 -2.464 5.737 -4.210 291 HE2 TYR 42 2HE TYR 42 -4.552 2.783 -6.594 292 HH TYR 42 HH TYR 42 -4.273 5.020 -7.205 293 H TYR 43 H TYR 43 1.349 0.747 -1.589 294 HA TYR 43 HA TYR 43 1.601 -2.178 -1.665 295 HB2 TYR 43 1HB TYR 43 3.046 0.050 -0.210 296 HB3 TYR 43 2HB TYR 43 3.358 -1.634 0.108 297 HD1 TYR 43 1HD TYR 43 3.281 0.607 -3.010 298 HD2 TYR 43 2HD TYR 43 5.085 -2.678 -0.878 299 HE1 TYR 43 1HE TYR 43 5.121 0.552 -4.647 300 HE2 TYR 43 2HE TYR 43 6.828 -2.837 -2.529 301 HH TYR 43 HH TYR 43 7.127 -0.537 -5.314 302 H TYR 44 H TYR 44 0.781 -3.501 -0.175 303 HA TYR 44 HA TYR 44 -1.006 -2.492 1.934 304 HB2 TYR 44 1HB TYR 44 -1.831 -4.261 0.516 305 HB3 TYR 44 2HB TYR 44 -0.433 -5.250 0.819 306 HD1 TYR 44 2HD TYR 44 -3.295 -3.565 2.408 307 HD2 TYR 44 1HD TYR 44 -0.433 -6.707 2.771 308 HE1 TYR 44 2HE TYR 44 -4.721 -4.621 4.251 309 HE2 TYR 44 1HE TYR 44 -1.737 -7.718 4.640 310 HH TYR 44 HH TYR 44 -4.595 -7.526 5.301 311 H ASN 45 H ASN 45 -0.393 -2.287 3.897 312 HA ASN 45 HA ASN 45 2.378 -3.059 4.769 313 HB2 ASN 45 1HB ASN 45 1.934 -0.735 5.037 314 HB3 ASN 45 2HB ASN 45 0.457 -1.034 5.931 315 HD21 ASN 45 1HD2 ASN 45 0.866 -0.321 7.991 316 HD22 ASN 45 2HD2 ASN 45 2.268 -0.822 8.927 317 H ALA 46 H ALA 46 1.797 -5.252 5.006 318 HA ALA 46 HA ALA 46 -0.349 -6.291 6.350 319 HB1 ALA 46 1HB ALA 46 1.192 -7.674 5.080 320 HB2 ALA 46 2HB ALA 46 2.537 -7.272 6.186 321 HB3 ALA 46 3HB ALA 46 1.211 -8.281 6.747 322 H GLN 47 H GLN 47 2.369 -4.752 7.906 323 HA GLN 47 HA GLN 47 2.333 -5.860 10.480 324 HB2 GLN 47 1HB GLN 47 3.640 -3.739 9.110 325 HB3 GLN 47 2HB GLN 47 2.814 -2.933 10.450 326 HG2 GLN 47 1HG GLN 47 3.860 -4.515 12.028 327 HG3 GLN 47 2HG GLN 47 4.623 -5.352 10.653 328 HE21 GLN 47 1HE2 GLN 47 4.600 -1.762 10.432 329 HE22 GLN 47 2HE2 GLN 47 6.293 -1.632 10.822 330 H SER 48 H SER 48 0.788 -2.792 9.459 331 HA SER 48 HA SER 48 -1.150 -3.052 11.668 332 HB2 SER 48 1HB SER 48 -0.183 -0.559 10.232 333 HB3 SER 48 2HB SER 48 -1.200 -0.619 11.671 334 HG SER 48 HG SER 48 0.643 -1.939 12.605 335 H GLN 49 H GLN 49 -1.448 -4.165 8.893 336 HA GLN 49 HA GLN 49 -2.789 -4.218 7.127 337 HB2 GLN 49 1HB GLN 49 -5.260 -4.295 7.643 338 HB3 GLN 49 2HB GLN 49 -4.119 -5.493 8.241 339 HG2 GLN 49 1HG GLN 49 -4.011 -4.662 10.382 340 HG3 GLN 49 2HG GLN 49 -4.741 -3.155 9.955 341 HE21 GLN 49 1HE2 GLN 49 -5.344 -6.335 11.127 342 HE22 GLN 49 2HE2 GLN 49 -7.082 -6.226 11.202 343 H GLN 50 H GLN 50 -1.665 -1.754 7.104 344 HA GLN 50 HA GLN 50 -3.723 0.290 6.376 345 HB2 GLN 50 1HB GLN 50 -0.804 0.572 7.214 346 HB3 GLN 50 2HB GLN 50 -1.714 1.871 6.475 347 HG2 GLN 50 1HG GLN 50 -1.926 0.723 9.232 348 HG3 GLN 50 2HG GLN 50 -1.817 2.394 8.692 349 HE21 GLN 50 1HE2 GLN 50 -3.917 -0.362 9.051 350 HE22 GLN 50 2HE2 GLN 50 -5.440 0.399 8.689 351 H TYR 51 H TYR 51 -3.472 1.483 4.447 352 HA TYR 51 HA TYR 51 -1.876 0.055 2.324 353 HB2 TYR 51 1HB TYR 51 -4.166 2.086 2.239 354 HB3 TYR 51 2HB TYR 51 -3.161 1.758 0.856 355 HD1 TYR 51 2HD TYR 51 -4.314 -1.052 3.093 356 HD2 TYR 51 1HD TYR 51 -4.822 1.077 -0.628 357 HE1 TYR 51 2HE TYR 51 -5.814 -2.810 2.296 358 HE2 TYR 51 1HE TYR 51 -6.480 -0.614 -1.364 359 HH TYR 51 HH TYR 51 -7.353 -2.822 -0.885 360 H LEU 52 H LEU 52 -0.249 1.048 1.253 361 HA LEU 52 HA LEU 52 0.596 3.760 2.099 362 HB2 LEU 52 1HB LEU 52 2.518 1.460 1.724 363 HB3 LEU 52 2HB LEU 52 2.884 3.050 2.266 364 HG LEU 52 HG LEU 52 1.256 0.988 3.818 365 HD11 LEU 52 1HD1 LEU 52 3.573 0.421 3.550 366 HD12 LEU 52 2HD1 LEU 52 3.321 0.955 5.225 367 HD13 LEU 52 3HD1 LEU 52 4.100 2.044 4.061 368 HD21 LEU 52 3HD2 LEU 52 1.984 3.841 4.508 369 HD22 LEU 52 1HD2 LEU 52 1.786 2.616 5.784 370 HD23 LEU 52 2HD2 LEU 52 0.443 3.002 4.723 371 H TYR 53 H TYR 53 2.508 4.487 0.563 372 HA TYR 53 HA TYR 53 2.513 3.142 -2.019 373 HB2 TYR 53 1HB TYR 53 2.121 5.094 -3.340 374 HB3 TYR 53 2HB TYR 53 0.735 4.754 -2.349 375 HD1 TYR 53 2HD TYR 53 0.440 6.271 -0.142 376 HD2 TYR 53 1HD TYR 53 3.018 7.233 -3.473 377 HE1 TYR 53 2HE TYR 53 0.196 8.671 0.355 378 HE2 TYR 53 1HE TYR 53 2.735 9.623 -3.003 379 HH TYR 53 HH TYR 53 1.532 11.213 -1.797 380 H TRP 54 H TRP 54 4.391 3.574 -3.251 381 HA TRP 54 HA TRP 54 6.712 4.279 -1.555 382 HB2 TRP 54 1HB TRP 54 6.929 2.094 -2.572 383 HB3 TRP 54 2HB TRP 54 6.438 2.678 -4.137 384 HD1 TRP 54 HD TRP 54 8.272 3.087 -5.795 385 HE1 TRP 54 1HE TRP 54 10.744 3.742 -5.755 386 HE3 TRP 54 3HE TRP 54 8.916 3.544 -0.740 387 HZ2 TRP 54 2HZ TRP 54 12.799 4.204 -3.788 388 HZ3 TRP 54 3HZ TRP 54 11.129 4.081 0.194 389 HH2 TRP 54 HH TRP 54 13.109 4.397 -1.327 390 H ASP 55 H ASP 55 6.756 6.543 -1.632 391 HA ASP 55 HA ASP 55 6.267 7.825 -4.247 392 HB2 ASP 55 1HB ASP 55 5.136 8.785 -2.299 393 HB3 ASP 55 2HB ASP 55 6.693 9.088 -1.521 394 H GLY 56 H GLY 56 8.021 7.360 -5.440 395 HA2 GLY 56 1HA GLY 56 10.695 7.283 -4.610 396 HA3 GLY 56 2HA GLY 56 10.131 7.550 -6.263 397 H GLU 57 H GLU 57 8.648 10.133 -4.926 398 HA GLU 57 HA GLU 57 10.767 11.980 -5.649 399 HB2 GLU 57 1HB GLU 57 8.177 12.505 -4.120 400 HB3 GLU 57 2HB GLU 57 9.250 13.712 -4.840 401 HG2 GLU 57 1HG GLU 57 8.864 12.406 -7.073 402 HG3 GLU 57 2HG GLU 57 7.506 11.675 -6.261 403 H ARG 58 H ARG 58 9.522 10.593 -2.651 404 HA ARG 58 HA ARG 58 11.512 12.082 -1.010 405 HB2 ARG 58 1HB ARG 58 8.886 10.670 -0.447 406 HB3 ARG 58 2HB ARG 58 9.918 11.358 0.821 407 HG2 ARG 58 1HG ARG 58 9.578 13.572 0.058 408 HG3 ARG 58 2HG ARG 58 8.884 13.062 -1.487 409 HD2 ARG 58 1HD ARG 58 6.870 12.688 -0.689 410 HD3 ARG 58 2HD ARG 58 7.432 11.992 0.845 411 HE ARG 58 HE ARG 58 7.696 14.891 0.638 412 HH11 ARG 58 1HH1 ARG 58 5.284 12.322 1.083 413 HH12 ARG 58 2HH1 ARG 58 4.385 13.122 2.335 414 HH21 ARG 58 1HH2 ARG 58 6.278 16.132 2.060 415 HH22 ARG 58 2HH2 ARG 58 4.763 15.442 2.549 416 H ARG 59 H ARG 59 11.065 9.061 -2.464 417 HA ARG 59 HA ARG 59 11.875 6.949 -2.170 418 HB2 ARG 59 1HB ARG 59 14.188 8.431 -0.891 419 HB3 ARG 59 2HB ARG 59 14.228 6.737 -1.377 420 HG2 ARG 59 1HG ARG 59 13.935 7.269 -3.692 421 HG3 ARG 59 2HG ARG 59 13.750 8.999 -3.363 422 HD2 ARG 59 1HD ARG 59 16.261 7.503 -2.523 423 HD3 ARG 59 2HD ARG 59 16.046 8.078 -4.177 424 HE ARG 59 HE ARG 59 15.512 10.316 -2.593 425 HH11 ARG 59 1HH1 ARG 59 18.391 8.157 -2.954 426 HH12 ARG 59 2HH1 ARG 59 19.463 9.533 -2.931 427 HH21 ARG 59 1HH2 ARG 59 17.083 12.025 -2.543 428 HH22 ARG 59 2HH2 ARG 59 18.759 11.637 -2.821 429 H THR 60 H THR 60 9.901 7.423 -0.450 430 HA THR 60 HA THR 60 10.726 5.964 1.921 431 HB THR 60 HB THR 60 11.047 8.462 2.349 432 HG1 THR 60 1HG THR 60 10.226 8.217 4.334 433 HG21 THR 60 3HG2 THR 60 8.847 9.156 1.198 434 HG22 THR 60 1HG2 THR 60 9.173 9.866 2.797 435 HG23 THR 60 2HG2 THR 60 8.016 8.536 2.632 436 H TYR 61 H TYR 61 8.527 5.883 3.291 437 HA TYR 61 HA TYR 61 6.378 5.021 1.397 438 HB2 TYR 61 1HB TYR 61 7.130 3.846 4.106 439 HB3 TYR 61 2HB TYR 61 5.733 3.383 3.117 440 HD1 TYR 61 1HD TYR 61 9.522 3.319 3.188 441 HD2 TYR 61 2HD TYR 61 5.918 2.050 1.242 442 HE1 TYR 61 1HE TYR 61 10.841 1.830 1.710 443 HE2 TYR 61 2HE TYR 61 7.241 0.538 -0.256 444 HH TYR 61 HH TYR 61 10.811 0.428 -0.097 445 H VAL 62 H VAL 62 4.486 5.924 1.625 446 HA VAL 62 HA VAL 62 3.825 7.478 4.043 447 HB VAL 62 HB VAL 62 2.518 8.867 2.194 448 HG11 VAL 62 1HG1 VAL 62 4.340 10.495 2.171 449 HG12 VAL 62 2HG1 VAL 62 4.088 9.831 3.784 450 HG13 VAL 62 3HG1 VAL 62 5.472 9.275 2.801 451 HG21 VAL 62 3HG2 VAL 62 3.593 9.172 0.123 452 HG22 VAL 62 1HG2 VAL 62 5.013 8.207 0.578 453 HG23 VAL 62 2HG2 VAL 62 3.443 7.429 0.292 454 HA PRO 63 HA PRO 63 0.215 4.988 3.769 455 HB2 PRO 63 1HB PRO 63 -1.652 6.358 5.151 456 HB3 PRO 63 2HB PRO 63 -0.216 5.661 5.913 457 HG2 PRO 63 1HG PRO 63 -0.620 8.529 5.049 458 HG3 PRO 63 2HG PRO 63 0.046 7.899 6.597 459 HD2 PRO 63 1HD PRO 63 1.642 8.722 4.507 460 HD3 PRO 63 2HD PRO 63 2.111 7.408 5.629 461 H ALA 64 H ALA 64 -1.060 4.553 2.111 462 HA ALA 64 HA ALA 64 -2.238 6.696 0.441 463 HB1 ALA 64 1HB ALA 64 -2.200 3.710 -0.078 464 HB2 ALA 64 2HB ALA 64 -2.854 5.006 -1.125 465 HB3 ALA 64 3HB ALA 64 -1.120 4.913 -0.819 466 H LEU 65 H LEU 65 -3.199 6.917 2.730 467 HA LEU 65 HA LEU 65 -5.814 5.696 3.011 468 HB2 LEU 65 1HB LEU 65 -6.257 7.819 4.409 469 HB3 LEU 65 2HB LEU 65 -5.345 6.474 5.044 470 HG LEU 65 HG LEU 65 -3.255 7.591 4.688 471 HD11 LEU 65 1HD1 LEU 65 -3.896 8.700 2.597 472 HD12 LEU 65 2HD1 LEU 65 -2.994 9.736 3.714 473 HD13 LEU 65 3HD1 LEU 65 -4.778 9.910 3.528 474 HD21 LEU 65 3HD2 LEU 65 -3.471 9.437 6.261 475 HD22 LEU 65 1HD2 LEU 65 -4.487 8.069 6.757 476 HD23 LEU 65 2HD2 LEU 65 -5.226 9.483 5.974 477 H GLU 66 H GLU 66 -7.667 7.626 2.905 478 HA GLU 66 HA GLU 66 -8.174 7.831 0.121 479 HB2 GLU 66 1HB GLU 66 -9.424 8.682 2.648 480 HB3 GLU 66 2HB GLU 66 -9.652 9.888 1.393 481 HG2 GLU 66 1HG GLU 66 -11.508 8.324 1.389 482 HG3 GLU 66 2HG GLU 66 -10.602 8.229 -0.126 483 H GLN 67 H GLN 67 -6.627 10.107 2.276 484 HA GLN 67 HA GLN 67 -5.546 12.035 2.062 485 HB2 GLN 67 1HB GLN 67 -3.773 12.141 0.411 486 HB3 GLN 67 2HB GLN 67 -3.889 10.568 1.188 487 HG2 GLN 67 1HG GLN 67 -5.014 9.637 -0.808 488 HG3 GLN 67 2HG GLN 67 -4.892 11.216 -1.583 489 HE21 GLN 67 1HE2 GLN 67 -2.133 11.922 -1.072 490 HE22 GLN 67 2HE2 GLN 67 -1.211 10.756 -1.961 491 H SER 68 H SER 68 -8.219 11.855 0.423 492 HA SER 68 HA SER 68 -8.081 14.672 -0.543 493 HB2 SER 68 1HB SER 68 -7.862 12.938 -2.379 494 HB3 SER 68 2HB SER 68 -9.466 12.347 -1.922 495 HG SER 68 HG SER 68 -10.235 14.470 -2.325 496 H ALA 69 H ALA 69 -9.198 13.226 2.030 497 HA ALA 69 HA ALA 69 -11.686 14.691 1.999 498 HB1 ALA 69 1HB ALA 69 -12.533 12.586 1.145 499 HB2 ALA 69 2HB ALA 69 -11.678 11.668 2.423 500 HB3 ALA 69 3HB ALA 69 -13.031 12.734 2.834 501 H ASP 70 H ASP 70 -12.558 14.922 4.062 502 HA ASP 70 HA ASP 70 -12.871 15.108 6.234 503 HB2 ASP 70 1HB ASP 70 -12.572 12.643 6.322 504 HB3 ASP 70 2HB ASP 70 -10.854 12.889 6.613 505 H GLY 71 H GLY 71 -9.453 14.193 6.524 506 HA2 GLY 71 1HA GLY 71 -8.234 16.513 6.025 507 HA3 GLY 71 2HA GLY 71 -8.663 16.654 7.764 508 H HIS 72 H HIS 72 -6.251 16.553 8.114 509 HA HIS 72 HA HIS 72 -4.868 13.955 7.853 510 HB2 HIS 72 1HB HIS 72 -4.379 16.474 9.476 511 HB3 HIS 72 2HB HIS 72 -3.494 14.988 9.770 512 HD1 HIS 72 1HD HIS 72 -4.221 16.753 6.340 513 HD2 HIS 72 2HD HIS 72 -1.236 15.037 8.743 514 HE1 HIS 72 1HE HIS 72 -2.065 16.932 5.028 515 H LYS 73 H LYS 73 -6.606 12.528 8.571 516 HA LYS 73 HA LYS 73 -6.916 12.298 11.498 517 HB2 LYS 73 1HB LYS 73 -9.324 12.521 9.647 518 HB3 LYS 73 2HB LYS 73 -9.341 12.250 11.391 519 HG2 LYS 73 1HG LYS 73 -8.276 14.535 11.662 520 HG3 LYS 73 2HG LYS 73 -8.631 14.794 9.934 521 HD2 LYS 73 1HD LYS 73 -11.054 13.986 10.709 522 HD3 LYS 73 2HD LYS 73 -10.517 14.475 12.285 523 HE2 LYS 73 1HE LYS 73 -10.529 16.223 9.783 524 HE3 LYS 73 2HE LYS 73 -11.751 16.234 11.051 525 HZ1 LYS 73 3HZ LYS 73 -8.909 16.965 11.444 526 HZ2 LYS 73 1HZ LYS 73 -10.096 16.956 12.618 527 HZ3 LYS 73 2HZ LYS 73 -10.166 18.004 11.344 528 H GLU 74 H GLU 74 -8.945 10.388 11.478 529 HA GLU 74 HA GLU 74 -7.505 8.031 10.800 530 HB2 GLU 74 1HB GLU 74 -9.572 8.630 12.535 531 HB3 GLU 74 2HB GLU 74 -10.478 7.933 11.232 532 HG2 GLU 74 1HG GLU 74 -10.069 6.116 12.593 533 HG3 GLU 74 2HG GLU 74 -8.853 5.934 11.339 534 H THR 75 H THR 75 -10.259 9.695 9.380 535 HA THR 75 HA THR 75 -11.573 9.452 7.633 536 HB THR 75 HB THR 75 -10.399 8.163 5.545 537 HG1 THR 75 1HG THR 75 -8.452 7.918 6.750 538 HG21 THR 75 3HG2 THR 75 -9.874 10.413 4.704 539 HG22 THR 75 1HG2 THR 75 -9.785 11.026 6.378 540 HG23 THR 75 2HG2 THR 75 -11.348 10.520 5.678 541 H GLY 76 H GLY 76 -10.605 6.598 9.195 542 HA2 GLY 76 1HA GLY 76 -11.487 4.834 7.170 543 HA3 GLY 76 2HA GLY 76 -10.884 4.391 8.766 544 H ALA 77 H ALA 77 -13.665 5.224 6.862 545 HA ALA 77 HA ALA 77 -15.397 3.958 8.879 546 HB1 ALA 77 1HB ALA 77 -17.204 5.622 8.417 547 HB2 ALA 77 2HB ALA 77 -15.843 6.253 9.344 548 HB3 ALA 77 3HB ALA 77 -15.987 6.655 7.618 549 HA PRO 78 HA PRO 78 -15.530 2.421 4.539 550 HB2 PRO 78 1HB PRO 78 -15.058 -0.214 4.966 551 HB3 PRO 78 2HB PRO 78 -13.786 0.984 5.236 552 HG2 PRO 78 1HG PRO 78 -15.680 -0.203 7.315 553 HG3 PRO 78 2HG PRO 78 -13.867 -0.130 7.369 554 HD2 PRO 78 1HD PRO 78 -15.442 1.783 8.553 555 HD3 PRO 78 2HD PRO 78 -13.868 2.173 7.818 556 H SER 79 H SER 79 -17.892 3.269 5.270 557 HA SER 79 HA SER 79 -19.742 0.941 5.415 558 HB2 SER 79 1HB SER 79 -21.053 2.764 6.829 559 HB3 SER 79 2HB SER 79 -19.719 1.841 7.535 560 HG SER 79 HG SER 79 -19.642 4.531 6.590 561 H LYS 80 H LYS 80 -19.298 1.464 2.884 562 HA LYS 80 HA LYS 80 -21.232 3.452 1.954 563 HB2 LYS 80 1HB LYS 80 -18.959 2.542 0.846 564 HB3 LYS 80 2HB LYS 80 -20.081 1.496 0.000 565 HG2 LYS 80 1HG LYS 80 -20.149 4.545 0.190 566 HG3 LYS 80 2HG LYS 80 -19.634 3.601 -1.204 567 HD2 LYS 80 1HD LYS 80 -21.955 2.774 -1.511 568 HD3 LYS 80 2HD LYS 80 -22.466 3.719 -0.093 569 HE2 LYS 80 1HE LYS 80 -21.467 5.765 -1.287 570 HE3 LYS 80 2HE LYS 80 -21.397 4.762 -2.745 571 HZ1 LYS 80 3HZ LYS 80 -23.822 4.455 -2.509 572 HZ2 LYS 80 1HZ LYS 80 -23.417 6.038 -2.654 573 HZ3 LYS 80 2HZ LYS 80 -23.789 5.456 -1.170 574 H GLU 81 H GLU 81 -22.562 2.042 3.569 575 HA GLU 81 HA GLU 81 -24.497 1.120 4.020 576 HB2 GLU 81 1HB GLU 81 -26.128 2.430 3.221 577 HB3 GLU 81 2HB GLU 81 -24.680 3.358 2.987 578 HG2 GLU 81 1HG GLU 81 -25.458 3.806 0.948 579 HG3 GLU 81 2HG GLU 81 -24.888 2.204 0.505 580 H GLY 82 H GLY 82 -23.097 -0.507 1.800 581 HA2 GLY 82 1HA GLY 82 -24.708 -2.880 2.047 582 HA3 GLY 82 2HA GLY 82 -24.899 -2.137 0.447 583 H LYS 83 H LYS 83 -21.921 -1.048 0.731 584 HA LYS 83 HA LYS 83 -20.664 -3.589 -0.089 585 HB2 LYS 83 1HB LYS 83 -20.089 -1.236 -1.137 586 HB3 LYS 83 2HB LYS 83 -19.012 -1.107 0.271 587 HG2 LYS 83 1HG LYS 83 -18.288 -3.561 -0.395 588 HG3 LYS 83 2HG LYS 83 -19.083 -3.226 -1.913 589 HD2 LYS 83 1HD LYS 83 -17.464 -1.500 -2.434 590 HD3 LYS 83 2HD LYS 83 -16.782 -1.582 -0.779 591 HE2 LYS 83 1HE LYS 83 -16.206 -3.993 -1.163 592 HE3 LYS 83 2HE LYS 83 -16.828 -3.861 -2.813 593 HZ1 LYS 83 3HZ LYS 83 -15.067 -2.229 -3.241 594 HZ2 LYS 83 1HZ LYS 83 -14.485 -3.708 -2.769 595 HZ3 LYS 83 2HZ LYS 83 -14.482 -2.444 -1.723 596 H GLU 84 H GLU 84 -21.300 -1.987 2.789 597 HA GLU 84 HA GLU 84 -19.319 -0.920 3.823 598 HB2 GLU 84 1HB GLU 84 -20.042 -1.723 6.173 599 HB3 GLU 84 2HB GLU 84 -21.118 -0.787 5.135 600 HG2 GLU 84 1HG GLU 84 -22.483 -2.650 4.587 601 HG3 GLU 84 2HG GLU 84 -21.336 -3.808 5.251 602 H LYS 85 H LYS 85 -19.705 -4.149 5.190 603 HA LYS 85 HA LYS 85 -16.790 -4.760 4.986 604 HB2 LYS 85 1HB LYS 85 -17.365 -6.245 7.034 605 HB3 LYS 85 2HB LYS 85 -17.234 -4.514 7.277 606 HG2 LYS 85 1HG LYS 85 -19.450 -4.196 7.703 607 HG3 LYS 85 2HG LYS 85 -20.003 -5.484 6.636 608 HD2 LYS 85 1HD LYS 85 -18.610 -6.126 9.250 609 HD3 LYS 85 2HD LYS 85 -20.341 -5.776 9.133 610 HE2 LYS 85 1HE LYS 85 -20.371 -7.510 7.181 611 HE3 LYS 85 2HE LYS 85 -18.805 -8.052 7.819 612 HZ1 LYS 85 3HZ LYS 85 -20.636 -9.304 8.763 613 HZ2 LYS 85 1HZ LYS 85 -21.385 -7.942 9.275 614 HZ3 LYS 85 2HZ LYS 85 -19.949 -8.378 9.951 615 H LYS 86 H LYS 86 -19.300 -5.313 3.184 616 HA LYS 86 HA LYS 86 -19.984 -8.100 3.747 617 HB2 LYS 86 1HB LYS 86 -21.627 -6.330 3.170 618 HB3 LYS 86 2HB LYS 86 -20.911 -6.179 1.559 619 HG2 LYS 86 1HG LYS 86 -21.555 -8.462 1.001 620 HG3 LYS 86 2HG LYS 86 -22.087 -8.762 2.668 621 HD2 LYS 86 1HD LYS 86 -23.877 -7.081 2.439 622 HD3 LYS 86 2HD LYS 86 -23.303 -6.680 0.803 623 HE2 LYS 86 1HE LYS 86 -23.638 -9.077 0.152 624 HE3 LYS 86 2HE LYS 86 -24.338 -9.400 1.731 625 HZ1 LYS 86 3HZ LYS 86 -25.408 -7.490 -0.246 626 HZ2 LYS 86 1HZ LYS 86 -26.093 -7.828 1.214 627 HZ3 LYS 86 2HZ LYS 86 -25.979 -9.004 0.044 628 H GLU 87 H GLU 87 -18.136 -6.375 1.258 629 HA GLU 87 HA GLU 87 -16.850 -7.073 -0.458 630 HB2 GLU 87 1HB GLU 87 -15.753 -7.658 1.793 631 HB3 GLU 87 2HB GLU 87 -16.136 -9.328 1.425 632 HG2 GLU 87 1HG GLU 87 -13.852 -8.903 0.835 633 HG3 GLU 87 2HG GLU 87 -14.744 -9.147 -0.658 634 H LYS 88 H LYS 88 -19.423 -7.876 -0.929 635 HA LYS 88 HA LYS 88 -20.808 -9.071 -2.186 636 HB2 LYS 88 1HB LYS 88 -18.210 -9.160 -3.616 637 HB3 LYS 88 2HB LYS 88 -19.432 -10.297 -4.192 638 HG2 LYS 88 1HG LYS 88 -21.007 -8.602 -4.680 639 HG3 LYS 88 2HG LYS 88 -20.142 -7.395 -3.737 640 HD2 LYS 88 1HD LYS 88 -19.847 -6.976 -6.085 641 HD3 LYS 88 2HD LYS 88 -18.287 -7.388 -5.354 642 HE2 LYS 88 1HE LYS 88 -18.486 -9.691 -6.274 643 HE3 LYS 88 2HE LYS 88 -20.063 -9.268 -6.974 644 HZ1 LYS 88 3HZ LYS 88 -17.447 -8.093 -7.718 645 HZ2 LYS 88 1HZ LYS 88 -18.902 -7.556 -8.286 646 HZ3 LYS 88 2HZ LYS 88 -18.398 -9.067 -8.643 647 H HIS 89 H HIS 89 -18.114 -11.391 -1.900 648 HA HIS 89 HA HIS 89 -18.107 -13.659 -1.891 649 HB2 HIS 89 1HB HIS 89 -20.036 -12.975 0.335 650 HB3 HIS 89 2HB HIS 89 -19.464 -14.621 0.037 651 HD1 HIS 89 1HD HIS 89 -18.197 -11.367 1.582 652 HD2 HIS 89 2HD HIS 89 -16.710 -14.916 -0.175 653 HE1 HIS 89 1HE HIS 89 -15.723 -11.478 2.128 654 H LYS 90 H LYS 90 -18.845 -13.702 -4.070 655 HA LYS 90 HA LYS 90 -21.672 -14.514 -4.473 656 HB2 LYS 90 1HB LYS 90 -21.379 -13.975 -6.775 657 HB3 LYS 90 2HB LYS 90 -20.786 -12.662 -5.784 658 HG2 LYS 90 1HG LYS 90 -19.085 -12.609 -7.233 659 HG3 LYS 90 2HG LYS 90 -18.405 -13.898 -6.240 660 HD2 LYS 90 1HD LYS 90 -19.459 -15.575 -7.815 661 HD3 LYS 90 2HD LYS 90 -20.103 -14.229 -8.750 662 HE2 LYS 90 1HE LYS 90 -18.258 -14.835 -9.962 663 HE3 LYS 90 2HE LYS 90 -17.648 -13.461 -9.034 664 HZ1 LYS 90 3HZ LYS 90 -16.532 -15.046 -7.577 665 HZ2 LYS 90 1HZ LYS 90 -16.177 -15.438 -9.141 666 HZ3 LYS 90 2HZ LYS 90 -17.261 -16.322 -8.340 667 H THR 91 H THR 91 -22.085 -16.715 -4.409 668 HA THR 91 HA THR 91 -19.929 -18.613 -4.873 669 HB THR 91 HB THR 91 -22.880 -19.164 -4.406 670 HG1 THR 91 1HG THR 91 -21.850 -19.463 -2.183 671 HG21 THR 91 3HG2 THR 91 -21.994 -21.267 -3.405 672 HG22 THR 91 1HG2 THR 91 -20.345 -20.788 -3.881 673 HG23 THR 91 2HG2 THR 91 -21.567 -21.135 -5.116 674 H LYS 92 H LYS 92 -19.483 -17.769 -7.056 675 HA LYS 92 HA LYS 92 -20.604 -19.567 -8.999 676 HB2 LYS 92 1HB LYS 92 -20.750 -16.594 -9.348 677 HB3 LYS 92 2HB LYS 92 -19.704 -17.379 -10.523 678 HG2 LYS 92 1HG LYS 92 -21.713 -17.371 -11.623 679 HG3 LYS 92 2HG LYS 92 -21.684 -18.999 -10.945 680 HD2 LYS 92 1HD LYS 92 -23.068 -18.074 -9.001 681 HD3 LYS 92 2HD LYS 92 -23.229 -16.568 -9.902 682 HE2 LYS 92 1HE LYS 92 -24.076 -19.336 -10.885 683 HE3 LYS 92 2HE LYS 92 -25.165 -18.163 -10.142 684 HZ1 LYS 92 3HZ LYS 92 -25.335 -18.000 -12.502 685 HZ2 LYS 92 1HZ LYS 92 -23.734 -17.844 -12.716 686 HZ3 LYS 92 2HZ LYS 92 -24.586 -16.625 -11.979 Start of MODEL 16 1 H1 GLY 1 H GLY 1 27.867 12.993 -1.643 2 HA2 GLY 1 1HA GLY 1 27.628 13.856 0.660 3 HA3 GLY 1 2HA GLY 1 28.465 15.318 0.112 4 H HIS 2 H HIS 2 27.440 16.461 -1.764 5 HA HIS 2 HA HIS 2 25.786 17.662 -2.575 6 HB2 HIS 2 1HB HIS 2 24.906 15.251 -3.208 7 HB3 HIS 2 2HB HIS 2 23.673 15.589 -2.008 8 HD1 HIS 2 1HD HIS 2 22.700 15.163 -4.848 9 HD2 HIS 2 2HD HIS 2 24.095 18.902 -3.510 10 HE1 HIS 2 1HE HIS 2 21.660 16.921 -6.379 11 H MET 3 H MET 3 23.308 18.496 -1.729 12 HA MET 3 HA MET 3 23.920 19.605 0.864 13 HB2 MET 3 1HB MET 3 22.547 20.723 -0.937 14 HB3 MET 3 2HB MET 3 21.250 19.577 -0.594 15 HG2 MET 3 1HG MET 3 21.341 20.389 1.835 16 HG3 MET 3 2HG MET 3 22.432 21.660 1.283 17 HE1 MET 3 3HE MET 3 21.746 23.564 -0.346 18 HE2 MET 3 1HE MET 3 21.066 22.484 -1.585 19 HE3 MET 3 2HE MET 3 20.099 23.833 -0.969 20 H GLN 4 H GLN 4 22.132 16.737 -0.223 21 HA GLN 4 HA GLN 4 20.855 16.457 2.428 22 HB2 GLN 4 1HB GLN 4 18.705 16.247 1.304 23 HB3 GLN 4 2HB GLN 4 19.441 17.789 0.858 24 HG2 GLN 4 1HG GLN 4 20.285 16.561 -1.290 25 HG3 GLN 4 2HG GLN 4 19.174 15.265 -0.833 26 HE21 GLN 4 1HE2 GLN 4 19.454 18.489 -2.244 27 HE22 GLN 4 2HE2 GLN 4 17.785 18.674 -2.609 28 H GLU 5 H GLU 5 19.876 14.364 2.739 29 HA GLU 5 HA GLU 5 21.195 12.156 1.327 30 HB2 GLU 5 1HB GLU 5 19.769 10.806 3.052 31 HB3 GLU 5 2HB GLU 5 21.325 11.504 3.457 32 HG2 GLU 5 1HG GLU 5 20.384 13.308 4.624 33 HG3 GLU 5 2HG GLU 5 18.766 13.024 3.984 34 H SER 6 H SER 6 17.926 12.371 2.610 35 HA SER 6 HA SER 6 16.518 12.260 0.063 36 HB2 SER 6 1HB SER 6 15.882 9.818 0.594 37 HB3 SER 6 2HB SER 6 17.508 10.149 -0.041 38 HG SER 6 HG SER 6 16.954 9.753 2.720 39 H TYR 7 H TYR 7 16.255 13.819 2.716 40 HA TYR 7 HA TYR 7 14.332 12.266 4.258 41 HB2 TYR 7 1HB TYR 7 16.463 13.335 5.244 42 HB3 TYR 7 2HB TYR 7 15.677 14.894 4.999 43 HD1 TYR 7 2HD TYR 7 15.568 11.644 6.693 44 HD2 TYR 7 1HD TYR 7 13.726 15.498 6.331 45 HE1 TYR 7 2HE TYR 7 14.209 11.161 8.742 46 HE2 TYR 7 1HE TYR 7 12.381 15.067 8.400 47 HH TYR 7 HH TYR 7 12.390 13.660 10.369 48 H SER 8 H SER 8 12.287 12.700 3.903 49 HA SER 8 HA SER 8 11.326 15.409 3.435 50 HB2 SER 8 1HB SER 8 10.251 14.807 1.259 51 HB3 SER 8 2HB SER 8 12.031 14.917 1.245 52 HG SER 8 HG SER 8 10.920 13.091 0.141 53 H GLN 9 H GLN 9 10.296 12.018 2.862 54 HA GLN 9 HA GLN 9 8.360 12.232 4.977 55 HB2 GLN 9 1HB GLN 9 7.902 11.138 2.177 56 HB3 GLN 9 2HB GLN 9 6.785 10.862 3.504 57 HG2 GLN 9 1HG GLN 9 7.515 13.536 2.246 58 HG3 GLN 9 2HG GLN 9 6.004 12.662 2.065 59 HE21 GLN 9 1HE2 GLN 9 5.970 11.980 5.119 60 HE22 GLN 9 2HE2 GLN 9 5.589 13.545 5.821 61 H TYR 10 H TYR 10 9.132 9.492 2.738 62 HA TYR 10 HA TYR 10 9.796 7.889 5.134 63 HB2 TYR 10 1HB TYR 10 8.990 7.207 2.303 64 HB3 TYR 10 2HB TYR 10 9.643 6.009 3.380 65 HD1 TYR 10 2HD TYR 10 6.756 8.251 2.786 66 HD2 TYR 10 1HD TYR 10 8.424 5.193 5.337 67 HE1 TYR 10 2HE TYR 10 4.539 7.925 3.844 68 HE2 TYR 10 1HE TYR 10 6.238 4.901 6.434 69 HH TYR 10 HH TYR 10 3.920 5.332 6.154 70 HA PRO 11 HA PRO 11 14.104 7.462 3.772 71 HB2 PRO 11 1HB PRO 11 14.702 4.962 4.732 72 HB3 PRO 11 2HB PRO 11 14.483 6.381 5.805 73 HG2 PRO 11 1HG PRO 11 12.494 4.222 5.108 74 HG3 PRO 11 2HG PRO 11 12.879 4.883 6.728 75 HD2 PRO 11 1HD PRO 11 10.729 5.701 5.276 76 HD3 PRO 11 2HD PRO 11 11.623 6.820 6.333 77 H VAL 12 H VAL 12 15.425 5.644 2.611 78 HA VAL 12 HA VAL 12 13.912 4.894 0.195 79 HB VAL 12 HB VAL 12 16.892 5.316 0.635 80 HG11 VAL 12 1HG1 VAL 12 16.999 5.491 -1.825 81 HG12 VAL 12 2HG1 VAL 12 16.401 3.902 -1.345 82 HG13 VAL 12 3HG1 VAL 12 15.265 5.126 -1.945 83 HG21 VAL 12 3HG2 VAL 12 15.671 7.429 0.996 84 HG22 VAL 12 1HG2 VAL 12 16.607 7.451 -0.488 85 HG23 VAL 12 2HG2 VAL 12 14.827 7.212 -0.558 86 HA PRO 13 HA PRO 13 14.828 0.762 2.101 87 HB2 PRO 13 1HB PRO 13 12.629 -0.599 1.323 88 HB3 PRO 13 2HB PRO 13 12.522 0.670 2.596 89 HG2 PRO 13 1HG PRO 13 12.001 1.039 -0.398 90 HG3 PRO 13 2HG PRO 13 10.886 1.409 0.944 91 HD2 PRO 13 1HD PRO 13 12.468 3.328 -0.045 92 HD3 PRO 13 2HD PRO 13 12.195 3.173 1.723 93 H ASP 14 H ASP 14 14.957 -1.514 0.929 94 HA ASP 14 HA ASP 14 15.361 -1.330 -1.973 95 HB2 ASP 14 1HB ASP 14 17.535 -0.729 -0.714 96 HB3 ASP 14 2HB ASP 14 17.540 -2.397 -0.137 97 H VAL 15 H VAL 15 15.031 -3.460 -2.870 98 HA VAL 15 HA VAL 15 13.623 -5.306 -1.092 99 HB VAL 15 HB VAL 15 12.759 -5.030 -3.299 100 HG11 VAL 15 1HG1 VAL 15 14.001 -5.760 -5.329 101 HG12 VAL 15 2HG1 VAL 15 14.718 -4.335 -4.566 102 HG13 VAL 15 3HG1 VAL 15 15.460 -5.924 -4.326 103 HG21 VAL 15 3HG2 VAL 15 12.554 -7.289 -2.337 104 HG22 VAL 15 1HG2 VAL 15 12.620 -7.305 -4.099 105 HG23 VAL 15 2HG2 VAL 15 14.043 -7.788 -3.170 106 H SER 16 H SER 16 16.907 -4.779 -2.050 107 HA SER 16 HA SER 16 17.960 -7.367 -1.574 108 HB2 SER 16 1HB SER 16 19.048 -5.409 -2.707 109 HB3 SER 16 2HB SER 16 19.223 -4.651 -1.128 110 HG SER 16 HG SER 16 20.359 -7.162 -1.884 111 H THR 17 H THR 17 16.546 -5.059 0.823 112 HA THR 17 HA THR 17 17.862 -6.621 2.965 113 HB THR 17 HB THR 17 16.896 -4.830 4.431 114 HG1 THR 17 1HG THR 17 15.866 -3.154 3.555 115 HG21 THR 17 3HG2 THR 17 18.600 -3.166 3.781 116 HG22 THR 17 1HG2 THR 17 18.751 -3.904 2.179 117 HG23 THR 17 2HG2 THR 17 19.248 -4.808 3.621 118 H TYR 18 H TYR 18 15.012 -6.911 1.140 119 HA TYR 18 HA TYR 18 13.147 -7.356 3.249 120 HB2 TYR 18 1HB TYR 18 13.089 -8.179 0.327 121 HB3 TYR 18 2HB TYR 18 11.756 -8.348 1.397 122 HD1 TYR 18 1HD TYR 18 13.048 -5.349 2.609 123 HD2 TYR 18 2HD TYR 18 11.008 -6.970 -0.825 124 HE1 TYR 18 1HE TYR 18 12.454 -3.122 1.948 125 HE2 TYR 18 2HE TYR 18 10.458 -4.682 -1.575 126 HH TYR 18 HH TYR 18 10.690 -2.324 -1.096 127 H GLN 19 H GLN 19 11.840 -9.425 3.223 128 HA GLN 19 HA GLN 19 13.601 -11.827 3.620 129 HB2 GLN 19 1HB GLN 19 11.078 -10.906 5.073 130 HB3 GLN 19 2HB GLN 19 11.738 -12.540 5.168 131 HG2 GLN 19 1HG GLN 19 13.834 -11.596 6.138 132 HG3 GLN 19 2HG GLN 19 13.094 -9.993 6.130 133 HE21 GLN 19 1HE2 GLN 19 13.617 -10.256 8.590 134 HE22 GLN 19 2HE2 GLN 19 12.416 -11.131 9.531 135 H TYR 20 H TYR 20 13.260 -13.023 1.712 136 HA TYR 20 HA TYR 20 10.671 -13.259 0.451 137 HB2 TYR 20 1HB TYR 20 12.813 -13.765 -0.626 138 HB3 TYR 20 2HB TYR 20 13.070 -15.114 0.477 139 HD1 TYR 20 1HD TYR 20 10.825 -13.753 -2.160 140 HD2 TYR 20 2HD TYR 20 12.083 -17.303 -0.056 141 HE1 TYR 20 1HE TYR 20 9.840 -15.207 -3.967 142 HE2 TYR 20 2HE TYR 20 11.059 -18.716 -1.764 143 HH TYR 20 HH TYR 20 9.405 -17.306 -4.673 144 H ASP 21 H ASP 21 9.062 -14.792 0.684 145 HA ASP 21 HA ASP 21 9.319 -16.883 2.819 146 HB2 ASP 21 1HB ASP 21 7.557 -14.836 3.126 147 HB3 ASP 21 2HB ASP 21 6.610 -15.870 2.109 148 H GLU 22 H GLU 22 9.592 -18.702 1.741 149 HA GLU 22 HA GLU 22 8.813 -18.970 -1.032 150 HB2 GLU 22 1HB GLU 22 9.102 -21.471 -0.426 151 HB3 GLU 22 2HB GLU 22 10.506 -20.411 -0.601 152 HG2 GLU 22 1HG GLU 22 10.916 -20.368 1.675 153 HG3 GLU 22 2HG GLU 22 9.337 -21.079 2.090 154 H THR 23 H THR 23 7.050 -19.399 1.928 155 HA THR 23 HA THR 23 5.336 -21.433 1.142 156 HB THR 23 HB THR 23 5.745 -20.297 3.434 157 HG1 THR 23 1HG THR 23 4.506 -21.972 3.338 158 HG21 THR 23 3HG2 THR 23 4.873 -18.018 2.726 159 HG22 THR 23 1HG2 THR 23 4.191 -18.672 4.204 160 HG23 THR 23 2HG2 THR 23 3.236 -18.733 2.719 161 H SER 24 H SER 24 5.009 -17.953 0.571 162 HA SER 24 HA SER 24 2.800 -18.470 -1.381 163 HB2 SER 24 1HB SER 24 3.574 -15.811 -0.157 164 HB3 SER 24 2HB SER 24 2.116 -16.196 -1.081 165 HG SER 24 HG SER 24 1.896 -16.042 1.219 166 H GLY 25 H GLY 25 6.176 -17.283 -0.978 167 HA2 GLY 25 1HA GLY 25 7.686 -17.227 -2.662 168 HA3 GLY 25 2HA GLY 25 6.422 -17.409 -3.887 169 H TYR 26 H TYR 26 6.612 -15.032 -1.238 170 HA TYR 26 HA TYR 26 6.809 -12.753 -3.155 171 HB2 TYR 26 1HB TYR 26 4.764 -13.258 -1.010 172 HB3 TYR 26 2HB TYR 26 5.396 -11.641 -1.122 173 HD1 TYR 26 2HD TYR 26 4.195 -14.304 -3.536 174 HD2 TYR 26 1HD TYR 26 4.206 -10.115 -2.458 175 HE1 TYR 26 2HE TYR 26 2.939 -13.779 -5.566 176 HE2 TYR 26 1HE TYR 26 2.831 -9.611 -4.448 177 HH TYR 26 HH TYR 26 2.576 -11.900 -7.054 178 H TYR 27 H TYR 27 7.421 -10.752 -1.788 179 HA TYR 27 HA TYR 27 9.555 -11.516 0.161 180 HB2 TYR 27 1HB TYR 27 9.307 -9.131 -1.701 181 HB3 TYR 27 2HB TYR 27 10.394 -9.168 -0.325 182 HD1 TYR 27 2HD TYR 27 9.606 -10.798 -3.562 183 HD2 TYR 27 1HD TYR 27 12.466 -10.449 -0.345 184 HE1 TYR 27 2HE TYR 27 11.248 -12.117 -4.872 185 HE2 TYR 27 1HE TYR 27 14.112 -11.722 -1.659 186 HH TYR 27 HH TYR 27 14.397 -13.094 -3.537 187 H TYR 28 H TYR 28 9.424 -10.516 2.162 188 HA TYR 28 HA TYR 28 7.077 -8.798 2.797 189 HB2 TYR 28 1HB TYR 28 7.126 -10.833 4.149 190 HB3 TYR 28 2HB TYR 28 8.829 -10.599 4.517 191 HD1 TYR 28 2HD TYR 28 5.618 -8.634 4.730 192 HD2 TYR 28 1HD TYR 28 9.365 -9.653 6.607 193 HE1 TYR 28 2HE TYR 28 4.933 -7.404 6.764 194 HE2 TYR 28 1HE TYR 28 8.746 -8.292 8.587 195 HH TYR 28 HH TYR 28 5.508 -6.986 9.143 196 H ASP 29 H ASP 29 7.560 -6.791 3.558 197 HA ASP 29 HA ASP 29 10.343 -5.827 3.342 198 HB2 ASP 29 1HB ASP 29 8.910 -4.656 1.902 199 HB3 ASP 29 2HB ASP 29 7.702 -4.390 3.167 200 HA PRO 30 HA PRO 30 9.597 -5.869 7.927 201 HB2 PRO 30 1HB PRO 30 12.214 -5.936 8.699 202 HB3 PRO 30 2HB PRO 30 11.300 -7.406 8.202 203 HG2 PRO 30 1HG PRO 30 13.196 -5.731 6.533 204 HG3 PRO 30 2HG PRO 30 13.152 -7.516 6.698 205 HD2 PRO 30 1HD PRO 30 11.965 -6.186 4.627 206 HD3 PRO 30 2HD PRO 30 11.252 -7.678 5.313 207 H GLN 31 H GLN 31 11.059 -3.688 5.657 208 HA GLN 31 HA GLN 31 11.986 -1.797 7.614 209 HB2 GLN 31 1HB GLN 31 12.678 -2.423 5.037 210 HB3 GLN 31 2HB GLN 31 11.658 -1.017 4.746 211 HG2 GLN 31 1HG GLN 31 13.141 0.381 6.038 212 HG3 GLN 31 2HG GLN 31 13.862 -1.002 6.869 213 HE21 GLN 31 1HE2 GLN 31 14.916 1.322 5.046 214 HE22 GLN 31 2HE2 GLN 31 16.078 0.466 4.051 215 H THR 32 H THR 32 8.921 -2.476 6.136 216 HA THR 32 HA THR 32 7.817 -0.215 7.708 217 HB THR 32 HB THR 32 6.185 0.341 5.965 218 HG1 THR 32 1HG THR 32 7.817 -1.193 4.177 219 HG21 THR 32 3HG2 THR 32 7.505 1.761 4.577 220 HG22 THR 32 1HG2 THR 32 8.987 0.845 4.918 221 HG23 THR 32 2HG2 THR 32 8.173 1.779 6.206 222 H GLY 33 H GLY 33 7.416 -3.385 6.248 223 HA2 GLY 33 1HA GLY 33 6.128 -5.031 7.412 224 HA3 GLY 33 2HA GLY 33 4.936 -3.807 7.864 225 H LEU 34 H LEU 34 5.861 -3.311 4.675 226 HA LEU 34 HA LEU 34 3.395 -4.301 3.486 227 HB2 LEU 34 1HB LEU 34 5.946 -3.212 2.238 228 HB3 LEU 34 2HB LEU 34 4.428 -3.435 1.397 229 HG LEU 34 HG LEU 34 4.699 -1.548 3.788 230 HD11 LEU 34 1HD1 LEU 34 5.049 -1.024 0.816 231 HD12 LEU 34 2HD1 LEU 34 6.236 -0.795 2.085 232 HD13 LEU 34 3HD1 LEU 34 4.810 0.253 2.054 233 HD21 LEU 34 3HD2 LEU 34 2.577 -1.922 1.683 234 HD22 LEU 34 1HD2 LEU 34 2.637 -0.551 2.817 235 HD23 LEU 34 2HD2 LEU 34 2.426 -2.207 3.420 236 H TYR 35 H TYR 35 3.712 -5.585 1.302 237 HA TYR 35 HA TYR 35 5.994 -7.474 1.419 238 HB2 TYR 35 1HB TYR 35 3.192 -7.903 0.344 239 HB3 TYR 35 2HB TYR 35 4.543 -8.923 -0.110 240 HD1 TYR 35 2HD TYR 35 2.547 -7.725 2.806 241 HD2 TYR 35 1HD TYR 35 5.242 -10.745 1.281 242 HE1 TYR 35 2HE TYR 35 2.248 -9.040 4.861 243 HE2 TYR 35 1HE TYR 35 4.950 -12.057 3.322 244 HH TYR 35 HH TYR 35 3.882 -12.155 5.520 245 H TYR 36 H TYR 36 6.588 -8.064 -0.907 246 HA TYR 36 HA TYR 36 5.985 -6.064 -2.988 247 HB2 TYR 36 1HB TYR 36 7.950 -5.164 -1.876 248 HB3 TYR 36 2HB TYR 36 8.736 -6.733 -1.874 249 HD1 TYR 36 2HD TYR 36 7.426 -4.090 -4.210 250 HD2 TYR 36 1HD TYR 36 10.119 -7.428 -3.687 251 HE1 TYR 36 2HE TYR 36 8.514 -3.551 -6.370 252 HE2 TYR 36 1HE TYR 36 11.204 -6.874 -5.838 253 HH TYR 36 HH TYR 36 11.418 -5.368 -7.522 254 H ASP 37 H ASP 37 6.846 -6.898 -5.142 255 HA ASP 37 HA ASP 37 7.104 -9.850 -5.231 256 HB2 ASP 37 1HB ASP 37 4.748 -9.208 -5.710 257 HB3 ASP 37 2HB ASP 37 5.325 -8.142 -6.985 258 HA PRO 38 HA PRO 38 10.406 -8.575 -7.874 259 HB2 PRO 38 1HB PRO 38 10.986 -10.947 -9.218 260 HB3 PRO 38 2HB PRO 38 11.393 -10.647 -7.513 261 HG2 PRO 38 1HG PRO 38 8.909 -12.010 -8.614 262 HG3 PRO 38 2HG PRO 38 10.013 -12.618 -7.314 263 HD2 PRO 38 1HD PRO 38 7.767 -11.396 -6.645 264 HD3 PRO 38 2HD PRO 38 9.276 -10.914 -5.817 265 H ASN 39 H ASN 39 7.619 -10.260 -9.524 266 HA ASN 39 HA ASN 39 8.538 -9.405 -12.147 267 HB2 ASN 39 1HB ASN 39 6.142 -10.894 -11.034 268 HB3 ASN 39 2HB ASN 39 6.094 -10.210 -12.623 269 HD21 ASN 39 1HD2 ASN 39 7.043 -12.946 -10.892 270 HD22 ASN 39 2HD2 ASN 39 7.949 -13.749 -12.144 271 H SER 40 H SER 40 6.325 -8.391 -9.586 272 HA SER 40 HA SER 40 5.144 -6.317 -11.387 273 HB2 SER 40 1HB SER 40 2.960 -6.902 -10.476 274 HB3 SER 40 2HB SER 40 3.703 -8.164 -11.441 275 HG SER 40 HG SER 40 4.412 -9.066 -9.296 276 H GLN 41 H GLN 41 6.239 -4.644 -10.574 277 HA GLN 41 HA GLN 41 7.270 -4.402 -8.026 278 HB2 GLN 41 1HB GLN 41 6.901 -2.549 -10.363 279 HB3 GLN 41 2HB GLN 41 7.453 -1.870 -8.835 280 HG2 GLN 41 1HG GLN 41 9.317 -2.460 -10.298 281 HG3 GLN 41 2HG GLN 41 9.381 -3.218 -8.741 282 HE21 GLN 41 1HE2 GLN 41 9.010 -5.594 -8.627 283 HE22 GLN 41 2HE2 GLN 41 9.216 -6.566 -10.050 284 H TYR 42 H TYR 42 4.058 -4.259 -8.340 285 HA TYR 42 HA TYR 42 3.357 -1.956 -6.729 286 HB2 TYR 42 1HB TYR 42 1.734 -4.441 -7.393 287 HB3 TYR 42 2HB TYR 42 1.117 -2.892 -6.801 288 HD1 TYR 42 2HD TYR 42 1.901 -0.789 -8.279 289 HD2 TYR 42 1HD TYR 42 1.739 -4.845 -9.715 290 HE1 TYR 42 2HE TYR 42 1.949 0.054 -10.598 291 HE2 TYR 42 1HE TYR 42 1.834 -4.022 -12.041 292 HH TYR 42 HH TYR 42 1.801 -0.531 -12.884 293 H TYR 43 H TYR 43 3.379 -1.918 -4.595 294 HA TYR 43 HA TYR 43 4.420 -4.200 -3.037 295 HB2 TYR 43 1HB TYR 43 3.748 -1.277 -2.464 296 HB3 TYR 43 2HB TYR 43 4.025 -2.438 -1.166 297 HD1 TYR 43 2HD TYR 43 5.740 -1.221 -4.333 298 HD2 TYR 43 1HD TYR 43 6.154 -2.889 -0.363 299 HE1 TYR 43 2HE TYR 43 8.181 -1.039 -4.515 300 HE2 TYR 43 1HE TYR 43 8.580 -2.692 -0.525 301 HH TYR 43 HH TYR 43 10.174 -1.448 -3.515 302 H TYR 44 H TYR 44 3.159 -5.335 -1.559 303 HA TYR 44 HA TYR 44 0.196 -4.945 -1.730 304 HB2 TYR 44 1HB TYR 44 0.799 -7.110 -2.485 305 HB3 TYR 44 2HB TYR 44 1.875 -7.377 -1.150 306 HD1 TYR 44 1HD TYR 44 -1.706 -6.521 -1.810 307 HD2 TYR 44 2HD TYR 44 1.054 -8.558 0.772 308 HE1 TYR 44 1HE TYR 44 -3.606 -7.733 -0.789 309 HE2 TYR 44 2HE TYR 44 -0.858 -9.692 1.907 310 HH TYR 44 HH TYR 44 -3.079 -10.235 1.729 311 H ASN 45 H ASN 45 -0.693 -3.980 -0.095 312 HA ASN 45 HA ASN 45 0.630 -3.821 2.580 313 HB2 ASN 45 1HB ASN 45 -0.116 -1.658 1.713 314 HB3 ASN 45 2HB ASN 45 -1.713 -2.323 1.336 315 HD21 ASN 45 1HD2 ASN 45 -3.090 -1.293 2.817 316 HD22 ASN 45 2HD2 ASN 45 -2.725 -1.162 4.523 317 H ALA 46 H ALA 46 0.253 -5.988 3.129 318 HA ALA 46 HA ALA 46 -2.105 -7.528 2.881 319 HB1 ALA 46 1HB ALA 46 -0.095 -7.517 5.180 320 HB2 ALA 46 2HB ALA 46 -1.217 -8.821 4.759 321 HB3 ALA 46 3HB ALA 46 0.103 -8.394 3.648 322 H GLN 47 H GLN 47 -1.113 -5.136 5.291 323 HA GLN 47 HA GLN 47 -2.999 -5.354 7.224 324 HB2 GLN 47 1HB GLN 47 -0.835 -3.747 6.627 325 HB3 GLN 47 2HB GLN 47 -2.158 -2.583 6.521 326 HG2 GLN 47 1HG GLN 47 -2.920 -3.478 8.788 327 HG3 GLN 47 2HG GLN 47 -1.376 -4.361 8.843 328 HE21 GLN 47 1HE2 GLN 47 0.625 -3.090 9.081 329 HE22 GLN 47 2HE2 GLN 47 0.570 -1.385 9.474 330 H SER 48 H SER 48 -3.804 -4.279 4.062 331 HA SER 48 HA SER 48 -6.508 -4.167 5.068 332 HB2 SER 48 1HB SER 48 -5.381 -1.652 4.603 333 HB3 SER 48 2HB SER 48 -6.189 -1.987 3.089 334 HG SER 48 HG SER 48 -8.079 -1.803 4.033 335 H GLN 49 H GLN 49 -4.397 -5.496 3.127 336 HA GLN 49 HA GLN 49 -4.151 -6.565 1.288 337 HB2 GLN 49 1HB GLN 49 -7.161 -6.586 0.891 338 HB3 GLN 49 2HB GLN 49 -5.963 -7.662 0.165 339 HG2 GLN 49 1HG GLN 49 -5.319 -8.397 2.523 340 HG3 GLN 49 2HG GLN 49 -6.689 -7.464 3.121 341 HE21 GLN 49 1HE2 GLN 49 -7.251 -9.712 4.038 342 HE22 GLN 49 2HE2 GLN 49 -8.165 -10.747 2.964 343 H GLN 50 H GLN 50 -4.273 -3.601 1.278 344 HA GLN 50 HA GLN 50 -5.237 -2.757 -1.356 345 HB2 GLN 50 1HB GLN 50 -3.969 -1.466 1.022 346 HB3 GLN 50 2HB GLN 50 -3.481 -0.793 -0.523 347 HG2 GLN 50 1HG GLN 50 -5.279 0.504 0.231 348 HG3 GLN 50 2HG GLN 50 -5.869 -0.437 -1.131 349 HE21 GLN 50 1HE2 GLN 50 -6.800 -2.789 -0.175 350 HE22 GLN 50 2HE2 GLN 50 -7.997 -2.595 1.015 351 H TYR 51 H TYR 51 -3.999 -2.205 -3.206 352 HA TYR 51 HA TYR 51 -1.199 -3.166 -3.218 353 HB2 TYR 51 1HB TYR 51 -3.234 -3.046 -5.413 354 HB3 TYR 51 2HB TYR 51 -1.533 -2.875 -5.765 355 HD1 TYR 51 2HD TYR 51 -3.577 -5.104 -3.532 356 HD2 TYR 51 1HD TYR 51 -0.424 -4.824 -6.440 357 HE1 TYR 51 2HE TYR 51 -3.257 -7.567 -3.427 358 HE2 TYR 51 1HE TYR 51 -0.071 -7.261 -6.323 359 HH TYR 51 HH TYR 51 -1.098 -9.386 -5.508 360 H LEU 52 H LEU 52 0.338 -1.695 -3.608 361 HA LEU 52 HA LEU 52 -0.320 1.151 -4.114 362 HB2 LEU 52 1HB LEU 52 1.456 0.020 -1.960 363 HB3 LEU 52 2HB LEU 52 1.254 1.709 -2.238 364 HG LEU 52 HG LEU 52 -0.854 -0.209 -1.124 365 HD11 LEU 52 1HD1 LEU 52 0.633 2.121 0.146 366 HD12 LEU 52 2HD1 LEU 52 0.853 0.404 0.518 367 HD13 LEU 52 3HD1 LEU 52 -0.671 1.173 0.921 368 HD21 LEU 52 3HD2 LEU 52 -2.074 1.454 -2.348 369 HD22 LEU 52 1HD2 LEU 52 -1.053 2.770 -1.678 370 HD23 LEU 52 2HD2 LEU 52 -2.183 1.870 -0.648 371 H TYR 53 H TYR 53 2.172 2.222 -4.170 372 HA TYR 53 HA TYR 53 4.179 0.285 -4.933 373 HB2 TYR 53 1HB TYR 53 4.820 1.185 -7.025 374 HB3 TYR 53 2HB TYR 53 3.110 0.861 -7.136 375 HD1 TYR 53 2HD TYR 53 1.483 2.910 -6.691 376 HD2 TYR 53 1HD TYR 53 5.698 3.345 -7.561 377 HE1 TYR 53 2HE TYR 53 1.060 5.184 -7.521 378 HE2 TYR 53 1HE TYR 53 5.285 5.610 -8.417 379 HH TYR 53 HH TYR 53 3.671 7.143 -9.060 380 H TRP 54 H TRP 54 6.334 1.286 -4.964 381 HA TRP 54 HA TRP 54 6.634 3.452 -3.018 382 HB2 TRP 54 1HB TRP 54 8.024 1.506 -2.723 383 HB3 TRP 54 2HB TRP 54 8.549 1.549 -4.401 384 HD1 TRP 54 HD TRP 54 10.941 2.312 -4.588 385 HE1 TRP 54 1HE TRP 54 12.528 3.850 -3.329 386 HE3 TRP 54 3HE TRP 54 7.696 4.046 -1.021 387 HZ2 TRP 54 2HZ TRP 54 12.324 5.863 -1.217 388 HZ3 TRP 54 3HZ TRP 54 8.435 5.701 0.640 389 HH2 TRP 54 HH TRP 54 10.742 6.630 0.545 390 H ASP 55 H ASP 55 6.347 5.439 -3.852 391 HA ASP 55 HA ASP 55 7.321 6.166 -6.562 392 HB2 ASP 55 1HB ASP 55 5.062 6.823 -6.093 393 HB3 ASP 55 2HB ASP 55 5.509 7.559 -4.553 394 H GLY 56 H GLY 56 9.499 6.238 -6.263 395 HA2 GLY 56 1HA GLY 56 10.759 7.234 -3.846 396 HA3 GLY 56 2HA GLY 56 11.537 6.708 -5.337 397 H GLU 57 H GLU 57 9.248 8.916 -6.428 398 HA GLU 57 HA GLU 57 11.237 11.088 -6.578 399 HB2 GLU 57 1HB GLU 57 8.565 10.605 -7.877 400 HB3 GLU 57 2HB GLU 57 9.169 12.235 -7.673 401 HG2 GLU 57 1HG GLU 57 11.268 11.618 -8.814 402 HG3 GLU 57 2HG GLU 57 10.663 9.985 -9.059 403 H ARG 58 H ARG 58 8.029 10.425 -5.238 404 HA ARG 58 HA ARG 58 8.099 12.788 -3.456 405 HB2 ARG 58 1HB ARG 58 6.239 10.397 -3.750 406 HB3 ARG 58 2HB ARG 58 5.973 11.717 -2.587 407 HG2 ARG 58 1HG ARG 58 5.822 13.332 -4.446 408 HG3 ARG 58 2HG ARG 58 6.068 12.011 -5.622 409 HD2 ARG 58 1HD ARG 58 4.023 10.899 -4.812 410 HD3 ARG 58 2HD ARG 58 3.788 12.181 -3.605 411 HE ARG 58 HE ARG 58 3.963 13.442 -6.103 412 HH11 ARG 58 1HH1 ARG 58 1.710 11.272 -4.407 413 HH12 ARG 58 2HH1 ARG 58 0.496 11.342 -5.668 414 HH21 ARG 58 1HH2 ARG 58 2.093 13.873 -7.514 415 HH22 ARG 58 2HH2 ARG 58 0.597 13.070 -7.143 416 H ARG 59 H ARG 59 9.224 9.549 -3.308 417 HA ARG 59 HA ARG 59 9.884 8.102 -1.744 418 HB2 ARG 59 1HB ARG 59 10.546 10.508 0.014 419 HB3 ARG 59 2HB ARG 59 10.951 8.841 0.349 420 HG2 ARG 59 1HG ARG 59 12.928 9.589 -0.484 421 HG3 ARG 59 2HG ARG 59 12.218 8.848 -1.931 422 HD2 ARG 59 1HD ARG 59 11.621 11.030 -2.817 423 HD3 ARG 59 2HD ARG 59 11.912 11.790 -1.248 424 HE ARG 59 HE ARG 59 14.291 10.536 -2.258 425 HH11 ARG 59 1HH1 ARG 59 12.297 13.475 -2.493 426 HH12 ARG 59 2HH1 ARG 59 13.661 14.495 -2.897 427 HH21 ARG 59 1HH2 ARG 59 16.054 11.910 -2.932 428 HH22 ARG 59 2HH2 ARG 59 15.774 13.610 -3.071 429 H THR 60 H THR 60 7.407 7.857 -1.993 430 HA THR 60 HA THR 60 6.503 7.373 0.694 431 HB THR 60 HB THR 60 5.791 9.766 0.236 432 HG1 THR 60 1HG THR 60 4.177 9.456 1.457 433 HG21 THR 60 3HG2 THR 60 3.910 10.228 -1.190 434 HG22 THR 60 1HG2 THR 60 3.698 8.498 -1.580 435 HG23 THR 60 2HG2 THR 60 5.114 9.364 -2.186 436 H TYR 61 H TYR 61 4.213 6.340 0.529 437 HA TYR 61 HA TYR 61 4.280 4.347 -1.680 438 HB2 TYR 61 1HB TYR 61 3.154 4.121 1.138 439 HB3 TYR 61 2HB TYR 61 3.128 2.863 -0.098 440 HD1 TYR 61 1HD TYR 61 5.312 1.807 -0.872 441 HD2 TYR 61 2HD TYR 61 5.119 4.534 2.476 442 HE1 TYR 61 1HE TYR 61 7.496 0.957 -0.058 443 HE2 TYR 61 2HE TYR 61 7.328 3.741 3.247 444 HH TYR 61 HH TYR 61 8.950 0.938 1.764 445 H VAL 62 H VAL 62 2.667 4.510 -3.089 446 HA VAL 62 HA VAL 62 0.242 6.099 -2.397 447 HB VAL 62 HB VAL 62 0.570 6.546 -5.051 448 HG11 VAL 62 1HG1 VAL 62 1.895 8.130 -2.832 449 HG12 VAL 62 2HG1 VAL 62 1.540 8.716 -4.486 450 HG13 VAL 62 3HG1 VAL 62 0.207 8.288 -3.397 451 HG21 VAL 62 3HG2 VAL 62 2.831 6.985 -5.662 452 HG22 VAL 62 1HG2 VAL 62 3.432 6.600 -4.041 453 HG23 VAL 62 2HG2 VAL 62 2.787 5.320 -5.083 454 HA PRO 63 HA PRO 63 -2.011 2.697 -3.993 455 HB2 PRO 63 1HB PRO 63 -4.250 3.829 -5.103 456 HB3 PRO 63 2HB PRO 63 -3.967 3.664 -3.335 457 HG2 PRO 63 1HG PRO 63 -3.519 6.090 -5.109 458 HG3 PRO 63 2HG PRO 63 -4.269 6.040 -3.478 459 HD2 PRO 63 1HD PRO 63 -1.658 6.754 -3.882 460 HD3 PRO 63 2HD PRO 63 -2.165 5.848 -2.426 461 H ALA 64 H ALA 64 -1.616 1.483 -5.755 462 HA ALA 64 HA ALA 64 -0.659 2.902 -8.124 463 HB1 ALA 64 1HB ALA 64 0.575 0.967 -7.151 464 HB2 ALA 64 2HB ALA 64 -0.861 -0.068 -7.399 465 HB3 ALA 64 3HB ALA 64 0.030 0.578 -8.792 466 H LEU 65 H LEU 65 -3.472 2.366 -7.347 467 HA LEU 65 HA LEU 65 -4.642 1.716 -9.997 468 HB2 LEU 65 1HB LEU 65 -5.537 0.734 -7.270 469 HB3 LEU 65 2HB LEU 65 -6.396 0.528 -8.792 470 HG LEU 65 HG LEU 65 -4.036 -0.539 -9.544 471 HD11 LEU 65 1HD1 LEU 65 -4.178 -1.236 -6.574 472 HD12 LEU 65 2HD1 LEU 65 -3.158 0.049 -7.148 473 HD13 LEU 65 3HD1 LEU 65 -2.882 -1.601 -7.739 474 HD21 LEU 65 3HD2 LEU 65 -6.193 -1.644 -9.545 475 HD22 LEU 65 1HD2 LEU 65 -6.140 -1.792 -7.768 476 HD23 LEU 65 2HD2 LEU 65 -4.980 -2.692 -8.775 477 H GLU 66 H GLU 66 -6.241 2.273 -6.943 478 HA GLU 66 HA GLU 66 -6.858 5.080 -7.209 479 HB2 GLU 66 1HB GLU 66 -8.675 3.201 -8.349 480 HB3 GLU 66 2HB GLU 66 -9.302 3.486 -6.723 481 HG2 GLU 66 1HG GLU 66 -8.863 6.055 -7.424 482 HG3 GLU 66 2HG GLU 66 -9.075 5.366 -9.046 483 H GLN 67 H GLN 67 -8.029 2.069 -5.683 484 HA GLN 67 HA GLN 67 -8.310 1.316 -3.622 485 HB2 GLN 67 1HB GLN 67 -5.405 1.999 -4.033 486 HB3 GLN 67 2HB GLN 67 -5.867 1.404 -2.480 487 HG2 GLN 67 1HG GLN 67 -5.102 -0.063 -4.675 488 HG3 GLN 67 2HG GLN 67 -5.859 -0.721 -3.245 489 HE21 GLN 67 1HE2 GLN 67 -7.527 -2.199 -3.729 490 HE22 GLN 67 2HE2 GLN 67 -8.379 -2.121 -5.247 491 H SER 68 H SER 68 -7.815 1.477 -1.195 492 HA SER 68 HA SER 68 -8.357 2.341 0.743 493 HB2 SER 68 1HB SER 68 -6.791 4.275 0.005 494 HB3 SER 68 2HB SER 68 -8.292 5.186 -0.271 495 HG SER 68 HG SER 68 -7.408 5.500 1.777 496 H ALA 69 H ALA 69 -10.242 2.745 1.742 497 HA ALA 69 HA ALA 69 -12.461 2.784 2.062 498 HB1 ALA 69 1HB ALA 69 -13.722 4.699 1.187 499 HB2 ALA 69 2HB ALA 69 -12.106 5.215 1.708 500 HB3 ALA 69 3HB ALA 69 -12.475 4.993 -0.019 501 H ASP 70 H ASP 70 -11.992 0.654 0.794 502 HA ASP 70 HA ASP 70 -13.384 0.189 -1.664 503 HB2 ASP 70 1HB ASP 70 -12.929 -2.114 -1.183 504 HB3 ASP 70 2HB ASP 70 -11.460 -1.199 -0.816 505 H GLY 71 H GLY 71 -15.592 -0.589 -1.724 506 HA2 GLY 71 1HA GLY 71 -17.074 -0.414 0.795 507 HA3 GLY 71 2HA GLY 71 -17.229 0.959 -0.324 508 H HIS 72 H HIS 72 -18.757 0.747 -1.945 509 HA HIS 72 HA HIS 72 -19.572 -1.855 -3.094 510 HB2 HIS 72 1HB HIS 72 -21.436 0.191 -1.935 511 HB3 HIS 72 2HB HIS 72 -21.834 -0.839 -3.283 512 HD1 HIS 72 1HD HIS 72 -19.866 -2.369 -0.319 513 HD2 HIS 72 2HD HIS 72 -23.390 -2.442 -2.475 514 HE1 HIS 72 1HE HIS 72 -21.204 -4.263 0.681 515 H LYS 73 H LYS 73 -17.579 -0.611 -4.254 516 HA LYS 73 HA LYS 73 -18.552 1.272 -6.317 517 HB2 LYS 73 1HB LYS 73 -16.057 1.915 -4.688 518 HB3 LYS 73 2HB LYS 73 -16.966 2.974 -5.775 519 HG2 LYS 73 1HG LYS 73 -18.887 2.877 -4.091 520 HG3 LYS 73 2HG LYS 73 -17.790 1.967 -3.030 521 HD2 LYS 73 1HD LYS 73 -16.222 4.003 -3.199 522 HD3 LYS 73 2HD LYS 73 -17.681 4.861 -3.800 523 HE2 LYS 73 1HE LYS 73 -18.928 4.209 -1.810 524 HE3 LYS 73 2HE LYS 73 -17.558 3.254 -1.226 525 HZ1 LYS 73 3HZ LYS 73 -16.325 5.466 -1.252 526 HZ2 LYS 73 1HZ LYS 73 -17.484 5.303 -0.092 527 HZ3 LYS 73 2HZ LYS 73 -17.755 6.176 -1.458 528 H GLU 74 H GLU 74 -16.191 1.775 -7.696 529 HA GLU 74 HA GLU 74 -15.536 -0.838 -8.692 530 HB2 GLU 74 1HB GLU 74 -15.614 1.276 -10.021 531 HB3 GLU 74 2HB GLU 74 -14.105 1.784 -9.277 532 HG2 GLU 74 1HG GLU 74 -12.837 0.206 -10.406 533 HG3 GLU 74 2HG GLU 74 -14.091 -1.019 -10.352 534 H THR 75 H THR 75 -13.184 1.568 -7.662 535 HA THR 75 HA THR 75 -11.827 -0.436 -5.941 536 HB THR 75 HB THR 75 -9.856 1.309 -6.645 537 HG1 THR 75 1HG THR 75 -10.993 2.439 -8.258 538 HG21 THR 75 3HG2 THR 75 -9.906 -1.217 -6.719 539 HG22 THR 75 1HG2 THR 75 -9.045 -0.479 -8.060 540 HG23 THR 75 2HG2 THR 75 -10.700 -1.110 -8.310 541 H GLY 76 H GLY 76 -12.314 3.046 -6.442 542 HA2 GLY 76 1HA GLY 76 -12.355 3.444 -3.506 543 HA3 GLY 76 2HA GLY 76 -11.244 4.374 -4.542 544 H ALA 77 H ALA 77 -13.325 5.605 -3.064 545 HA ALA 77 HA ALA 77 -14.034 7.533 -4.684 546 HB1 ALA 77 1HB ALA 77 -16.059 5.424 -5.135 547 HB2 ALA 77 2HB ALA 77 -16.756 6.992 -4.701 548 HB3 ALA 77 3HB ALA 77 -15.647 6.839 -6.079 549 HA PRO 78 HA PRO 78 -15.295 9.194 -0.763 550 HB2 PRO 78 1HB PRO 78 -16.847 11.364 -1.406 551 HB3 PRO 78 2HB PRO 78 -15.107 11.269 -1.835 552 HG2 PRO 78 1HG PRO 78 -17.483 10.536 -3.589 553 HG3 PRO 78 2HG PRO 78 -16.137 11.673 -3.942 554 HD2 PRO 78 1HD PRO 78 -16.034 9.126 -4.787 555 HD3 PRO 78 2HD PRO 78 -14.566 9.918 -4.151 556 H SER 79 H SER 79 -17.426 10.121 0.406 557 HA SER 79 HA SER 79 -19.608 8.319 0.733 558 HB2 SER 79 1HB SER 79 -19.509 11.370 0.875 559 HB3 SER 79 2HB SER 79 -20.704 10.304 1.630 560 HG SER 79 HG SER 79 -18.978 11.074 2.984 561 H LYS 80 H LYS 80 -20.928 7.599 -0.790 562 HA LYS 80 HA LYS 80 -21.915 9.352 -2.966 563 HB2 LYS 80 1HB LYS 80 -19.918 8.041 -3.692 564 HB3 LYS 80 2HB LYS 80 -20.738 6.543 -3.270 565 HG2 LYS 80 1HG LYS 80 -22.307 8.324 -5.067 566 HG3 LYS 80 2HG LYS 80 -20.739 7.861 -5.732 567 HD2 LYS 80 1HD LYS 80 -21.250 5.603 -5.853 568 HD3 LYS 80 2HD LYS 80 -22.470 5.676 -4.590 569 HE2 LYS 80 1HE LYS 80 -23.932 7.039 -6.075 570 HE3 LYS 80 2HE LYS 80 -22.751 6.853 -7.380 571 HZ1 LYS 80 3HZ LYS 80 -24.300 4.730 -6.061 572 HZ2 LYS 80 1HZ LYS 80 -23.104 4.418 -7.142 573 HZ3 LYS 80 2HZ LYS 80 -24.453 5.237 -7.621 574 H GLU 81 H GLU 81 -22.923 8.625 -0.404 575 HA GLU 81 HA GLU 81 -24.632 7.865 0.746 576 HB2 GLU 81 1HB GLU 81 -25.886 8.627 -1.308 577 HB3 GLU 81 2HB GLU 81 -25.973 6.925 -1.800 578 HG2 GLU 81 1HG GLU 81 -27.156 6.368 0.286 579 HG3 GLU 81 2HG GLU 81 -26.994 8.039 0.851 580 H GLY 82 H GLY 82 -24.492 6.115 2.010 581 HA2 GLY 82 1HA GLY 82 -25.454 3.937 2.365 582 HA3 GLY 82 2HA GLY 82 -25.073 3.487 0.698 583 H LYS 83 H LYS 83 -22.431 5.065 1.836 584 HA LYS 83 HA LYS 83 -21.216 3.054 3.528 585 HB2 LYS 83 1HB LYS 83 -20.777 2.990 0.667 586 HB3 LYS 83 2HB LYS 83 -19.303 3.566 1.375 587 HG2 LYS 83 1HG LYS 83 -18.839 1.364 1.485 588 HG3 LYS 83 2HG LYS 83 -19.644 1.500 3.032 589 HD2 LYS 83 1HD LYS 83 -21.677 0.938 1.017 590 HD3 LYS 83 2HD LYS 83 -20.296 -0.085 0.686 591 HE2 LYS 83 1HE LYS 83 -21.817 -1.299 2.082 592 HE3 LYS 83 2HE LYS 83 -20.353 -0.956 3.012 593 HZ1 LYS 83 3HZ LYS 83 -22.369 -0.580 4.277 594 HZ2 LYS 83 1HZ LYS 83 -22.857 0.625 3.229 595 HZ3 LYS 83 2HZ LYS 83 -21.506 0.783 4.143 596 H GLU 84 H GLU 84 -22.069 6.002 3.535 597 HA GLU 84 HA GLU 84 -19.731 7.601 2.975 598 HB2 GLU 84 1HB GLU 84 -20.951 9.445 3.727 599 HB3 GLU 84 2HB GLU 84 -22.074 8.427 2.830 600 HG2 GLU 84 1HG GLU 84 -22.894 7.593 5.123 601 HG3 GLU 84 2HG GLU 84 -21.876 8.842 5.838 602 H LYS 85 H LYS 85 -18.110 8.184 4.277 603 HA LYS 85 HA LYS 85 -16.544 7.887 5.931 604 HB2 LYS 85 1HB LYS 85 -19.062 8.800 7.281 605 HB3 LYS 85 2HB LYS 85 -17.753 8.256 8.302 606 HG2 LYS 85 1HG LYS 85 -17.678 10.626 8.043 607 HG3 LYS 85 2HG LYS 85 -16.218 9.879 7.421 608 HD2 LYS 85 1HD LYS 85 -18.446 10.648 5.523 609 HD3 LYS 85 2HD LYS 85 -17.343 11.873 6.175 610 HE2 LYS 85 1HE LYS 85 -15.419 10.351 5.426 611 HE3 LYS 85 2HE LYS 85 -16.604 9.464 4.469 612 HZ1 LYS 85 3HZ LYS 85 -15.795 12.279 4.204 613 HZ2 LYS 85 1HZ LYS 85 -17.082 11.676 3.396 614 HZ3 LYS 85 2HZ LYS 85 -15.568 11.075 3.121 615 H LYS 86 H LYS 86 -18.170 5.368 5.176 616 HA LYS 86 HA LYS 86 -18.410 3.211 5.795 617 HB2 LYS 86 1HB LYS 86 -15.916 3.546 7.494 618 HB3 LYS 86 2HB LYS 86 -16.570 2.053 6.827 619 HG2 LYS 86 1HG LYS 86 -15.314 4.360 5.292 620 HG3 LYS 86 2HG LYS 86 -14.596 2.794 5.607 621 HD2 LYS 86 1HD LYS 86 -16.412 1.726 4.220 622 HD3 LYS 86 2HD LYS 86 -17.068 3.341 3.894 623 HE2 LYS 86 1HE LYS 86 -14.868 4.019 2.944 624 HE3 LYS 86 2HE LYS 86 -14.267 2.364 3.199 625 HZ1 LYS 86 3HZ LYS 86 -16.585 3.068 1.539 626 HZ2 LYS 86 1HZ LYS 86 -15.858 1.545 1.706 627 HZ3 LYS 86 2HZ LYS 86 -15.085 2.750 0.946 628 H GLU 87 H GLU 87 -20.174 4.743 7.071 629 HA GLU 87 HA GLU 87 -20.467 3.832 9.818 630 HB2 GLU 87 1HB GLU 87 -22.891 4.073 9.277 631 HB3 GLU 87 2HB GLU 87 -21.936 5.537 9.160 632 HG2 GLU 87 1HG GLU 87 -22.513 5.890 7.036 633 HG3 GLU 87 2HG GLU 87 -22.055 4.278 6.525 634 H LYS 88 H LYS 88 -19.927 1.654 10.084 635 HA LYS 88 HA LYS 88 -21.203 -0.350 8.243 636 HB2 LYS 88 1HB LYS 88 -18.681 -0.224 8.134 637 HB3 LYS 88 2HB LYS 88 -18.634 -0.550 9.869 638 HG2 LYS 88 1HG LYS 88 -19.849 -2.725 9.426 639 HG3 LYS 88 2HG LYS 88 -19.643 -2.421 7.697 640 HD2 LYS 88 1HD LYS 88 -17.289 -2.445 9.609 641 HD3 LYS 88 2HD LYS 88 -17.942 -3.942 8.955 642 HE2 LYS 88 1HE LYS 88 -17.384 -3.443 6.739 643 HE3 LYS 88 2HE LYS 88 -17.201 -1.711 7.073 644 HZ1 LYS 88 3HZ LYS 88 -15.232 -2.095 8.220 645 HZ2 LYS 88 1HZ LYS 88 -15.074 -2.978 6.830 646 HZ3 LYS 88 2HZ LYS 88 -15.415 -3.726 8.263 647 H HIS 89 H HIS 89 -22.661 -1.714 9.285 648 HA HIS 89 HA HIS 89 -22.486 -1.975 12.226 649 HB2 HIS 89 1HB HIS 89 -24.915 -1.170 10.593 650 HB3 HIS 89 2HB HIS 89 -25.059 -1.927 12.165 651 HD1 HIS 89 1HD HIS 89 -25.806 1.272 11.376 652 HD2 HIS 89 2HD HIS 89 -22.687 -0.365 13.713 653 HE1 HIS 89 1HE HIS 89 -25.121 3.055 13.000 654 H LYS 90 H LYS 90 -23.750 -3.831 13.039 655 HA LYS 90 HA LYS 90 -23.544 -6.109 11.122 656 HB2 LYS 90 1HB LYS 90 -22.386 -6.056 13.531 657 HB3 LYS 90 2HB LYS 90 -24.019 -6.474 14.079 658 HG2 LYS 90 1HG LYS 90 -23.887 -8.318 12.152 659 HG3 LYS 90 2HG LYS 90 -22.154 -7.968 12.200 660 HD2 LYS 90 1HD LYS 90 -22.263 -9.741 13.695 661 HD3 LYS 90 2HD LYS 90 -22.408 -8.367 14.790 662 HE2 LYS 90 1HE LYS 90 -24.125 -9.824 15.511 663 HE3 LYS 90 2HE LYS 90 -24.975 -8.614 14.526 664 HZ1 LYS 90 3HZ LYS 90 -24.301 -11.406 13.758 665 HZ2 LYS 90 1HZ LYS 90 -24.870 -10.312 12.673 666 HZ3 LYS 90 2HZ LYS 90 -25.776 -10.708 13.893 667 H THR 91 H THR 91 -25.426 -6.648 10.174 668 HA THR 91 HA THR 91 -27.829 -6.723 11.877 669 HB THR 91 HB THR 91 -29.089 -6.212 9.660 670 HG1 THR 91 1HG THR 91 -27.198 -4.415 8.927 671 HG21 THR 91 3HG2 THR 91 -29.097 -4.744 11.667 672 HG22 THR 91 1HG2 THR 91 -29.176 -3.848 10.151 673 HG23 THR 91 2HG2 THR 91 -27.654 -3.925 11.058 674 H LYS 92 H LYS 92 -29.162 -8.423 11.385 675 HA LYS 92 HA LYS 92 -29.456 -10.637 11.353 676 HB2 LYS 92 1HB LYS 92 -27.419 -10.922 9.125 677 HB3 LYS 92 2HB LYS 92 -28.564 -12.124 9.678 678 HG2 LYS 92 1HG LYS 92 -30.434 -10.962 8.695 679 HG3 LYS 92 2HG LYS 92 -29.475 -9.497 8.420 680 HD2 LYS 92 1HD LYS 92 -28.014 -10.722 6.857 681 HD3 LYS 92 2HD LYS 92 -29.041 -12.156 6.998 682 HE2 LYS 92 1HE LYS 92 -30.198 -9.452 6.207 683 HE3 LYS 92 2HE LYS 92 -29.287 -10.394 5.024 684 HZ1 LYS 92 3HZ LYS 92 -31.601 -11.529 6.452 685 HZ2 LYS 92 1HZ LYS 92 -30.766 -12.162 5.169 686 HZ3 LYS 92 2HZ LYS 92 -31.672 -10.829 4.952 Start of MODEL 17 1 H1 GLY 1 H GLY 1 13.370 24.070 -13.352 2 HA2 GLY 1 1HA GLY 1 16.340 24.145 -13.459 3 HA3 GLY 1 2HA GLY 1 15.325 25.347 -12.638 4 H HIS 2 H HIS 2 16.803 24.638 -10.711 5 HA HIS 2 HA HIS 2 15.410 22.479 -9.227 6 HB2 HIS 2 1HB HIS 2 18.412 22.662 -9.688 7 HB3 HIS 2 2HB HIS 2 17.644 21.677 -8.439 8 HD1 HIS 2 1HD HIS 2 18.157 21.767 -12.210 9 HD2 HIS 2 2HD HIS 2 16.165 19.541 -9.234 10 HE1 HIS 2 1HE HIS 2 17.286 19.656 -13.361 11 H MET 3 H MET 3 14.524 23.702 -7.629 12 HA MET 3 HA MET 3 16.438 24.789 -5.703 13 HB2 MET 3 1HB MET 3 14.052 26.425 -6.674 14 HB3 MET 3 2HB MET 3 14.934 26.730 -5.174 15 HG2 MET 3 1HG MET 3 17.036 26.996 -6.500 16 HG3 MET 3 2HG MET 3 16.087 26.901 -7.982 17 HE1 MET 3 3HE MET 3 13.486 28.627 -7.502 18 HE2 MET 3 1HE MET 3 14.067 30.239 -7.972 19 HE3 MET 3 2HE MET 3 14.561 28.821 -8.916 20 H GLN 4 H GLN 4 15.805 24.382 -3.662 21 HA GLN 4 HA GLN 4 14.960 23.202 -2.017 22 HB2 GLN 4 1HB GLN 4 12.365 24.562 -2.846 23 HB3 GLN 4 2HB GLN 4 12.727 23.813 -1.295 24 HG2 GLN 4 1HG GLN 4 14.799 25.477 -1.316 25 HG3 GLN 4 2HG GLN 4 13.784 26.381 -2.443 26 HE21 GLN 4 1HE2 GLN 4 11.148 25.755 -1.130 27 HE22 GLN 4 2HE2 GLN 4 11.218 26.604 0.388 28 H GLU 5 H GLU 5 15.449 21.162 -3.167 29 HA GLU 5 HA GLU 5 13.385 19.717 -4.500 30 HB2 GLU 5 1HB GLU 5 15.938 19.361 -4.492 31 HB3 GLU 5 2HB GLU 5 15.702 18.430 -3.013 32 HG2 GLU 5 1HG GLU 5 14.118 16.934 -4.253 33 HG3 GLU 5 2HG GLU 5 14.379 17.887 -5.726 34 H SER 6 H SER 6 13.701 20.411 -1.167 35 HA SER 6 HA SER 6 12.438 19.913 0.656 36 HB2 SER 6 1HB SER 6 10.344 19.749 -1.532 37 HB3 SER 6 2HB SER 6 10.071 20.165 0.180 38 HG SER 6 HG SER 6 11.470 21.583 -1.838 39 H TYR 7 H TYR 7 13.302 17.895 1.447 40 HA TYR 7 HA TYR 7 12.149 15.466 0.232 41 HB2 TYR 7 1HB TYR 7 14.357 14.498 0.482 42 HB3 TYR 7 2HB TYR 7 14.289 15.877 -0.615 43 HD1 TYR 7 1HD TYR 7 15.286 18.132 0.159 44 HD2 TYR 7 2HD TYR 7 15.786 14.463 2.379 45 HE1 TYR 7 1HE TYR 7 17.058 19.186 1.521 46 HE2 TYR 7 2HE TYR 7 17.562 15.494 3.721 47 HH TYR 7 HH TYR 7 18.649 18.890 3.275 48 H SER 8 H SER 8 10.973 14.453 1.579 49 HA SER 8 HA SER 8 12.063 13.584 4.169 50 HB2 SER 8 1HB SER 8 10.149 14.291 5.481 51 HB3 SER 8 2HB SER 8 10.849 15.696 4.643 52 HG SER 8 HG SER 8 9.134 15.907 3.462 53 H GLN 9 H GLN 9 9.532 13.415 1.709 54 HA GLN 9 HA GLN 9 8.408 10.918 2.387 55 HB2 GLN 9 1HB GLN 9 7.294 11.140 0.297 56 HB3 GLN 9 2HB GLN 9 7.568 12.781 0.853 57 HG2 GLN 9 1HG GLN 9 9.869 12.348 -0.595 58 HG3 GLN 9 2HG GLN 9 8.744 11.293 -1.453 59 HE21 GLN 9 1HE2 GLN 9 10.167 14.178 -1.797 60 HE22 GLN 9 2HE2 GLN 9 8.835 15.037 -2.570 61 H TYR 10 H TYR 10 8.576 9.231 0.151 62 HA TYR 10 HA TYR 10 11.164 7.958 0.802 63 HB2 TYR 10 1HB TYR 10 8.537 7.033 -0.278 64 HB3 TYR 10 2HB TYR 10 9.940 5.998 -0.271 65 HD1 TYR 10 1HD TYR 10 7.735 8.029 2.009 66 HD2 TYR 10 2HD TYR 10 10.680 4.894 1.730 67 HE1 TYR 10 1HE TYR 10 7.317 7.435 4.359 68 HE2 TYR 10 2HE TYR 10 10.225 4.250 4.071 69 HH TYR 10 HH TYR 10 8.210 6.233 6.167 70 HA PRO 11 HA PRO 11 12.661 8.033 -3.531 71 HB2 PRO 11 1HB PRO 11 14.051 5.654 -3.580 72 HB3 PRO 11 2HB PRO 11 14.638 7.104 -2.705 73 HG2 PRO 11 1HG PRO 11 13.113 4.731 -1.593 74 HG3 PRO 11 2HG PRO 11 14.617 5.476 -0.964 75 HD2 PRO 11 1HD PRO 11 12.177 6.087 0.047 76 HD3 PRO 11 2HD PRO 11 13.439 7.335 -0.111 77 H VAL 12 H VAL 12 12.693 6.158 -5.393 78 HA VAL 12 HA VAL 12 9.987 4.984 -5.470 79 HB VAL 12 HB VAL 12 11.822 5.854 -7.706 80 HG11 VAL 12 1HG1 VAL 12 10.299 3.995 -8.376 81 HG12 VAL 12 2HG1 VAL 12 8.930 4.925 -7.729 82 HG13 VAL 12 3HG1 VAL 12 9.842 5.518 -9.141 83 HG21 VAL 12 3HG2 VAL 12 9.354 7.114 -6.478 84 HG22 VAL 12 1HG2 VAL 12 10.994 7.802 -6.534 85 HG23 VAL 12 2HG2 VAL 12 10.101 7.612 -8.040 86 HA PRO 13 HA PRO 13 12.694 1.197 -5.235 87 HB2 PRO 13 1HB PRO 13 10.931 -0.382 -3.882 88 HB3 PRO 13 2HB PRO 13 11.900 0.873 -3.036 89 HG2 PRO 13 1HG PRO 13 9.036 1.141 -4.057 90 HG3 PRO 13 2HG PRO 13 9.681 1.505 -2.428 91 HD2 PRO 13 1HD PRO 13 9.404 3.471 -4.212 92 HD3 PRO 13 2HD PRO 13 10.836 3.390 -3.144 93 H ASP 14 H ASP 14 12.592 -0.736 -6.483 94 HA ASP 14 HA ASP 14 10.353 -0.938 -8.323 95 HB2 ASP 14 1HB ASP 14 12.180 -1.850 -9.673 96 HB3 ASP 14 2HB ASP 14 12.185 -0.078 -9.541 97 H VAL 15 H VAL 15 9.352 -2.940 -8.360 98 HA VAL 15 HA VAL 15 10.235 -5.048 -6.685 99 HB VAL 15 HB VAL 15 7.935 -4.808 -7.379 100 HG11 VAL 15 1HG1 VAL 15 8.340 -4.061 -9.748 101 HG12 VAL 15 2HG1 VAL 15 8.784 -5.723 -10.147 102 HG13 VAL 15 3HG1 VAL 15 7.133 -5.350 -9.603 103 HG21 VAL 15 3HG2 VAL 15 9.018 -7.471 -8.383 104 HG22 VAL 15 1HG2 VAL 15 8.610 -7.066 -6.701 105 HG23 VAL 15 2HG2 VAL 15 7.349 -7.102 -7.928 106 H SER 16 H SER 16 11.360 -4.140 -9.964 107 HA SER 16 HA SER 16 12.504 -6.388 -10.858 108 HB2 SER 16 1HB SER 16 14.029 -3.997 -11.092 109 HB3 SER 16 2HB SER 16 13.312 -5.015 -12.316 110 HG SER 16 HG SER 16 12.534 -2.647 -11.756 111 H THR 17 H THR 17 14.061 -4.017 -8.576 112 HA THR 17 HA THR 17 16.295 -5.779 -8.273 113 HB THR 17 HB THR 17 16.344 -3.308 -8.292 114 HG1 THR 17 1HG THR 17 17.539 -4.733 -6.202 115 HG21 THR 17 3HG2 THR 17 15.922 -2.053 -6.242 116 HG22 THR 17 1HG2 THR 17 15.273 -3.503 -5.441 117 HG23 THR 17 2HG2 THR 17 14.453 -2.793 -6.856 118 H TYR 18 H TYR 18 13.174 -6.160 -6.867 119 HA TYR 18 HA TYR 18 13.902 -6.776 -4.173 120 HB2 TYR 18 1HB TYR 18 11.634 -7.806 -5.934 121 HB3 TYR 18 2HB TYR 18 11.832 -8.226 -4.269 122 HD1 TYR 18 2HD TYR 18 12.940 -4.881 -4.366 123 HD2 TYR 18 1HD TYR 18 9.382 -7.310 -4.553 124 HE1 TYR 18 2HE TYR 18 11.624 -2.933 -3.843 125 HE2 TYR 18 1HE TYR 18 7.994 -5.309 -4.056 126 HH TYR 18 HH TYR 18 9.436 -2.497 -2.840 127 H GLN 19 H GLN 19 13.916 -8.836 -3.231 128 HA GLN 19 HA GLN 19 15.268 -11.013 -4.788 129 HB2 GLN 19 1HB GLN 19 14.985 -10.550 -1.773 130 HB3 GLN 19 2HB GLN 19 15.671 -11.982 -2.528 131 HG2 GLN 19 1HG GLN 19 17.392 -10.483 -3.623 132 HG3 GLN 19 2HG GLN 19 16.760 -9.145 -2.642 133 HE21 GLN 19 1HE2 GLN 19 17.978 -8.827 -0.744 134 HE22 GLN 19 2HE2 GLN 19 18.642 -10.158 0.205 135 H TYR 20 H TYR 20 13.819 -12.548 -5.530 136 HA TYR 20 HA TYR 20 11.233 -13.030 -4.338 137 HB2 TYR 20 1HB TYR 20 11.958 -13.695 -6.644 138 HB3 TYR 20 2HB TYR 20 13.088 -14.840 -5.950 139 HD1 TYR 20 1HD TYR 20 9.435 -13.961 -5.439 140 HD2 TYR 20 2HD TYR 20 12.336 -17.083 -6.156 141 HE1 TYR 20 1HE TYR 20 7.627 -15.576 -5.561 142 HE2 TYR 20 2HE TYR 20 10.535 -18.719 -6.254 143 HH TYR 20 HH TYR 20 8.235 -19.052 -6.347 144 H ASP 21 H ASP 21 10.645 -14.895 -2.962 145 HA ASP 21 HA ASP 21 12.868 -16.587 -2.051 146 HB2 ASP 21 1HB ASP 21 11.958 -14.856 -0.184 147 HB3 ASP 21 2HB ASP 21 10.798 -16.140 0.040 148 H GLU 22 H GLU 22 12.383 -18.353 -3.031 149 HA GLU 22 HA GLU 22 9.803 -19.212 -3.858 150 HB2 GLU 22 1HB GLU 22 11.143 -21.532 -3.912 151 HB3 GLU 22 2HB GLU 22 11.392 -20.263 -5.096 152 HG2 GLU 22 1HG GLU 22 13.396 -19.482 -3.865 153 HG3 GLU 22 2HG GLU 22 13.152 -20.796 -2.680 154 H THR 23 H THR 23 11.446 -19.596 -0.727 155 HA THR 23 HA THR 23 10.078 -21.938 0.094 156 HB THR 23 HB THR 23 12.125 -20.815 1.064 157 HG1 THR 23 1HG THR 23 10.171 -21.819 2.882 158 HG21 THR 23 3HG2 THR 23 11.987 -19.339 2.893 159 HG22 THR 23 1HG2 THR 23 10.210 -19.424 2.962 160 HG23 THR 23 2HG2 THR 23 11.019 -18.592 1.615 161 H SER 24 H SER 24 9.268 -18.513 0.598 162 HA SER 24 HA SER 24 6.598 -19.079 1.638 163 HB2 SER 24 1HB SER 24 8.057 -16.531 0.812 164 HB3 SER 24 2HB SER 24 6.433 -16.568 1.520 165 HG SER 24 HG SER 24 8.685 -16.525 2.866 166 H GLY 25 H GLY 25 8.114 -17.777 -1.381 167 HA2 GLY 25 1HA GLY 25 7.237 -18.158 -3.556 168 HA3 GLY 25 2HA GLY 25 5.594 -18.238 -2.883 169 H TYR 26 H TYR 26 7.816 -15.849 -1.605 170 HA TYR 26 HA TYR 26 6.033 -13.674 -2.615 171 HB2 TYR 26 1HB TYR 26 6.997 -14.433 0.137 172 HB3 TYR 26 2HB TYR 26 7.012 -12.735 -0.234 173 HD1 TYR 26 1HD TYR 26 4.638 -15.646 -0.796 174 HD2 TYR 26 2HD TYR 26 5.135 -11.523 0.405 175 HE1 TYR 26 1HE TYR 26 2.219 -15.449 -0.499 176 HE2 TYR 26 2HE TYR 26 2.701 -11.340 0.752 177 HH TYR 26 HH TYR 26 0.483 -13.959 -0.212 178 H TYR 27 H TYR 27 7.290 -11.476 -2.100 179 HA TYR 27 HA TYR 27 10.153 -11.776 -2.892 180 HB2 TYR 27 1HB TYR 27 8.248 -9.541 -3.637 181 HB3 TYR 27 2HB TYR 27 9.969 -9.589 -3.995 182 HD1 TYR 27 2HD TYR 27 6.688 -11.199 -4.737 183 HD2 TYR 27 1HD TYR 27 10.836 -10.835 -5.877 184 HE1 TYR 27 2HE TYR 27 6.266 -12.578 -6.762 185 HE2 TYR 27 1HE TYR 27 10.432 -12.196 -7.873 186 HH TYR 27 HH TYR 27 8.818 -13.595 -8.988 187 H TYR 28 H TYR 28 11.515 -10.247 -1.956 188 HA TYR 28 HA TYR 28 10.606 -8.924 0.552 189 HB2 TYR 28 1HB TYR 28 12.148 -10.743 0.953 190 HB3 TYR 28 2HB TYR 28 13.207 -10.202 -0.339 191 HD1 TYR 28 1HD TYR 28 11.667 -8.740 2.793 192 HD2 TYR 28 2HD TYR 28 15.177 -9.179 0.320 193 HE1 TYR 28 1HE TYR 28 12.973 -7.483 4.449 194 HE2 TYR 28 2HE TYR 28 16.489 -7.903 1.950 195 HH TYR 28 HH TYR 28 16.500 -6.856 3.996 196 H ASP 29 H ASP 29 10.980 -6.778 0.731 197 HA ASP 29 HA ASP 29 11.996 -5.261 -1.593 198 HB2 ASP 29 1HB ASP 29 9.734 -4.815 -0.822 199 HB3 ASP 29 2HB ASP 29 10.324 -4.286 0.728 200 HA PRO 30 HA PRO 30 15.445 -4.994 1.471 201 HB2 PRO 30 1HB PRO 30 17.451 -4.324 -0.281 202 HB3 PRO 30 2HB PRO 30 16.831 -5.999 -0.027 203 HG2 PRO 30 1HG PRO 30 16.070 -4.063 -2.217 204 HG3 PRO 30 2HG PRO 30 16.570 -5.778 -2.394 205 HD2 PRO 30 1HD PRO 30 13.961 -5.036 -2.324 206 HD3 PRO 30 2HD PRO 30 14.497 -6.556 -1.548 207 H GLN 31 H GLN 31 13.832 -2.625 -0.449 208 HA GLN 31 HA GLN 31 15.669 -0.452 0.139 209 HB2 GLN 31 1HB GLN 31 13.919 -0.740 -1.811 210 HB3 GLN 31 2HB GLN 31 12.745 -0.117 -0.673 211 HG2 GLN 31 1HG GLN 31 13.429 1.999 -1.041 212 HG3 GLN 31 2HG GLN 31 15.082 1.606 -0.620 213 HE21 GLN 31 1HE2 GLN 31 13.480 3.018 -3.102 214 HE22 GLN 31 2HE2 GLN 31 14.457 2.396 -4.446 215 H THR 32 H THR 32 12.850 -1.947 1.570 216 HA THR 32 HA THR 32 12.838 -0.038 3.850 217 HB THR 32 HB THR 32 10.109 -0.667 3.374 218 HG1 THR 32 1HG THR 32 10.140 -0.136 0.966 219 HG21 THR 32 3HG2 THR 32 10.083 1.630 2.748 220 HG22 THR 32 1HG2 THR 32 11.508 1.512 1.685 221 HG23 THR 32 2HG2 THR 32 11.699 1.658 3.444 222 H GLY 33 H GLY 33 12.433 -3.365 2.842 223 HA2 GLY 33 1HA GLY 33 13.207 -4.990 4.347 224 HA3 GLY 33 2HA GLY 33 12.543 -4.029 5.686 225 H LEU 34 H LEU 34 10.083 -3.847 3.433 226 HA LEU 34 HA LEU 34 8.491 -5.743 4.878 227 HB2 LEU 34 1HB LEU 34 7.686 -4.601 2.257 228 HB3 LEU 34 2HB LEU 34 6.699 -4.807 3.683 229 HG LEU 34 HG LEU 34 6.961 -2.400 3.535 230 HD11 LEU 34 1HD1 LEU 34 7.853 -1.657 5.348 231 HD12 LEU 34 2HD1 LEU 34 9.132 -2.893 5.374 232 HD13 LEU 34 3HD1 LEU 34 7.429 -3.348 5.679 233 HD21 LEU 34 3HD2 LEU 34 9.533 -2.549 2.422 234 HD22 LEU 34 1HD2 LEU 34 8.339 -1.167 2.614 235 HD23 LEU 34 2HD2 LEU 34 7.975 -2.475 1.571 236 H TYR 35 H TYR 35 7.099 -7.159 3.479 237 HA TYR 35 HA TYR 35 8.556 -8.477 1.243 238 HB2 TYR 35 1HB TYR 35 6.660 -9.717 3.263 239 HB3 TYR 35 2HB TYR 35 6.938 -10.423 1.689 240 HD1 TYR 35 1HD TYR 35 8.834 -9.267 4.742 241 HD2 TYR 35 2HD TYR 35 8.781 -11.818 1.260 242 HE1 TYR 35 1HE TYR 35 10.995 -10.255 5.425 243 HE2 TYR 35 2HE TYR 35 10.908 -12.843 1.964 244 HH TYR 35 HH TYR 35 12.796 -11.619 4.773 245 H TYR 36 H TYR 36 7.028 -9.285 -0.437 246 HA TYR 36 HA TYR 36 4.679 -7.550 -0.917 247 HB2 TYR 36 1HB TYR 36 6.567 -6.319 -1.798 248 HB3 TYR 36 2HB TYR 36 7.262 -7.751 -2.521 249 HD1 TYR 36 2HD TYR 36 4.391 -5.379 -2.751 250 HD2 TYR 36 1HD TYR 36 6.615 -8.501 -4.726 251 HE1 TYR 36 2HE TYR 36 3.213 -4.869 -4.850 252 HE2 TYR 36 1HE TYR 36 5.433 -8.039 -6.822 253 HH TYR 36 HH TYR 36 4.176 -6.395 -7.917 254 H ASP 37 H ASP 37 3.241 -8.502 -2.386 255 HA ASP 37 HA ASP 37 3.743 -11.353 -3.163 256 HB2 ASP 37 1HB ASP 37 1.926 -11.030 -1.469 257 HB3 ASP 37 2HB ASP 37 1.127 -9.926 -2.566 258 HA PRO 38 HA PRO 38 3.247 -9.478 -7.191 259 HB2 PRO 38 1HB PRO 38 3.008 -11.653 -8.818 260 HB3 PRO 38 2HB PRO 38 4.528 -11.260 -7.956 261 HG2 PRO 38 1HG PRO 38 2.308 -13.113 -7.015 262 HG3 PRO 38 2HG PRO 38 4.062 -13.518 -7.216 263 HD2 PRO 38 1HD PRO 38 3.090 -12.814 -4.836 264 HD3 PRO 38 2HD PRO 38 4.630 -12.104 -5.361 265 H ASN 39 H ASN 39 0.751 -11.758 -6.007 266 HA ASN 39 HA ASN 39 -1.263 -10.938 -7.953 267 HB2 ASN 39 1HB ASN 39 -0.948 -12.989 -5.884 268 HB3 ASN 39 2HB ASN 39 -2.417 -12.082 -5.611 269 HD21 ASN 39 1HD2 ASN 39 -0.649 -13.930 -8.088 270 HD22 ASN 39 2HD2 ASN 39 -2.101 -14.419 -8.899 271 H SER 40 H SER 40 -0.205 -10.045 -4.759 272 HA SER 40 HA SER 40 -2.532 -8.216 -4.418 273 HB2 SER 40 1HB SER 40 -1.149 -9.629 -2.149 274 HB3 SER 40 2HB SER 40 -2.817 -9.039 -2.277 275 HG SER 40 HG SER 40 -1.542 -11.266 -3.458 276 H GLN 41 H GLN 41 -1.496 -6.261 -4.949 277 HA GLN 41 HA GLN 41 1.160 -5.587 -4.116 278 HB2 GLN 41 1HB GLN 41 -1.094 -3.874 -5.149 279 HB3 GLN 41 2HB GLN 41 0.493 -3.236 -4.712 280 HG2 GLN 41 1HG GLN 41 0.404 -3.603 -7.061 281 HG3 GLN 41 2HG GLN 41 1.641 -4.561 -6.320 282 HE21 GLN 41 1HE2 GLN 41 1.691 -6.758 -6.781 283 HE22 GLN 41 2HE2 GLN 41 0.419 -7.624 -7.616 284 H TYR 42 H TYR 42 -1.169 -6.167 -1.943 285 HA TYR 42 HA TYR 42 -0.620 -3.981 -0.073 286 HB2 TYR 42 1HB TYR 42 -2.017 -6.641 0.373 287 HB3 TYR 42 2HB TYR 42 -1.959 -5.285 1.490 288 HD1 TYR 42 2HD TYR 42 -2.592 -2.924 -0.061 289 HD2 TYR 42 1HD TYR 42 -4.204 -6.896 -0.474 290 HE1 TYR 42 2HE TYR 42 -4.642 -1.988 -1.021 291 HE2 TYR 42 1HE TYR 42 -6.280 -5.982 -1.391 292 HH TYR 42 HH TYR 42 -6.785 -2.426 -1.739 293 H TYR 43 H TYR 43 1.388 -3.946 0.657 294 HA TYR 43 HA TYR 43 3.338 -6.091 0.613 295 HB2 TYR 43 1HB TYR 43 3.185 -3.277 1.729 296 HB3 TYR 43 2HB TYR 43 4.548 -4.314 2.098 297 HD1 TYR 43 2HD TYR 43 2.663 -2.909 -0.890 298 HD2 TYR 43 1HD TYR 43 6.413 -4.198 0.788 299 HE1 TYR 43 2HE TYR 43 3.859 -2.118 -2.916 300 HE2 TYR 43 1HE TYR 43 7.568 -3.583 -1.321 301 HH TYR 43 HH TYR 43 7.279 -2.805 -3.593 302 H TYR 44 H TYR 44 4.497 -6.776 2.561 303 HA TYR 44 HA TYR 44 2.790 -7.071 4.994 304 HB2 TYR 44 1HB TYR 44 2.943 -9.209 3.842 305 HB3 TYR 44 2HB TYR 44 4.672 -9.063 3.713 306 HD1 TYR 44 2HD TYR 44 1.984 -8.934 6.366 307 HD2 TYR 44 1HD TYR 44 5.990 -10.193 5.347 308 HE1 TYR 44 2HE TYR 44 2.184 -10.091 8.550 309 HE2 TYR 44 1HE TYR 44 6.222 -11.257 7.547 310 HH TYR 44 HH TYR 44 5.239 -11.738 9.515 311 H ASN 45 H ASN 45 3.602 -5.923 6.525 312 HA ASN 45 HA ASN 45 6.467 -5.162 6.682 313 HB2 ASN 45 1HB ASN 45 4.777 -3.430 6.954 314 HB3 ASN 45 2HB ASN 45 3.983 -4.349 8.240 315 HD21 ASN 45 1HD2 ASN 45 4.359 -3.248 10.014 316 HD22 ASN 45 2HD2 ASN 45 5.928 -2.621 10.595 317 H ALA 46 H ALA 46 7.263 -7.245 7.161 318 HA ALA 46 HA ALA 46 6.305 -9.072 9.044 319 HB1 ALA 46 1HB ALA 46 8.071 -9.440 7.245 320 HB2 ALA 46 2HB ALA 46 9.238 -8.687 8.368 321 HB3 ALA 46 3HB ALA 46 8.400 -10.179 8.823 322 H GLN 47 H GLN 47 7.917 -6.087 9.718 323 HA GLN 47 HA GLN 47 9.035 -6.539 12.286 324 HB2 GLN 47 1HB GLN 47 8.270 -4.261 10.604 325 HB3 GLN 47 2HB GLN 47 7.714 -3.950 12.239 326 HG2 GLN 47 1HG GLN 47 9.894 -4.435 13.149 327 HG3 GLN 47 2HG GLN 47 10.509 -4.748 11.520 328 HE21 GLN 47 1HE2 GLN 47 10.099 -2.802 9.893 329 HE22 GLN 47 2HE2 GLN 47 10.196 -1.184 10.555 330 H SER 48 H SER 48 5.904 -4.922 11.752 331 HA SER 48 HA SER 48 5.009 -5.966 14.331 332 HB2 SER 48 1HB SER 48 3.664 -3.927 12.529 333 HB3 SER 48 2HB SER 48 3.337 -4.221 14.246 334 HG SER 48 HG SER 48 5.513 -3.555 14.660 335 H GLN 49 H GLN 49 5.049 -7.442 11.585 336 HA GLN 49 HA GLN 49 3.901 -8.805 10.281 337 HB2 GLN 49 1HB GLN 49 1.993 -9.167 12.635 338 HB3 GLN 49 2HB GLN 49 2.276 -10.300 11.318 339 HG2 GLN 49 1HG GLN 49 4.624 -10.603 12.093 340 HG3 GLN 49 2HG GLN 49 4.328 -9.492 13.438 341 HE21 GLN 49 1HE2 GLN 49 4.222 -12.762 12.523 342 HE22 GLN 49 2HE2 GLN 49 3.176 -13.343 13.819 343 H GLN 50 H GLN 50 3.170 -5.968 10.112 344 HA GLN 50 HA GLN 50 0.250 -5.968 9.875 345 HB2 GLN 50 1HB GLN 50 2.098 -4.197 10.971 346 HB3 GLN 50 2HB GLN 50 1.669 -3.458 9.433 347 HG2 GLN 50 1HG GLN 50 0.286 -2.698 11.391 348 HG3 GLN 50 2HG GLN 50 -0.609 -3.330 10.020 349 HE21 GLN 50 1HE2 GLN 50 0.930 -5.643 12.367 350 HE22 GLN 50 2HE2 GLN 50 -0.596 -6.328 12.743 351 H TYR 51 H TYR 51 -0.761 -4.621 7.980 352 HA TYR 51 HA TYR 51 0.640 -5.444 5.468 353 HB2 TYR 51 1HB TYR 51 -2.271 -5.323 6.265 354 HB3 TYR 51 2HB TYR 51 -1.796 -5.074 4.598 355 HD1 TYR 51 2HD TYR 51 -0.505 -7.578 7.184 356 HD2 TYR 51 1HD TYR 51 -2.508 -6.933 3.405 357 HE1 TYR 51 2HE TYR 51 -0.476 -9.992 6.746 358 HE2 TYR 51 1HE TYR 51 -2.498 -9.342 2.984 359 HH TYR 51 HH TYR 51 -1.454 -11.376 3.610 360 H LEU 52 H LEU 52 0.932 -3.934 3.848 361 HA LEU 52 HA LEU 52 0.139 -1.119 4.363 362 HB2 LEU 52 1HB LEU 52 2.924 -1.888 3.504 363 HB3 LEU 52 2HB LEU 52 2.355 -0.283 3.823 364 HG LEU 52 HG LEU 52 2.660 -2.404 6.002 365 HD11 LEU 52 1HD1 LEU 52 4.430 -0.100 5.172 366 HD12 LEU 52 2HD1 LEU 52 4.796 -1.833 4.941 367 HD13 LEU 52 3HD1 LEU 52 4.687 -1.151 6.583 368 HD21 LEU 52 3HD2 LEU 52 2.786 -0.243 7.398 369 HD22 LEU 52 1HD2 LEU 52 1.181 -0.740 6.838 370 HD23 LEU 52 2HD2 LEU 52 2.078 0.571 5.999 371 H TYR 53 H TYR 53 0.905 0.221 2.283 372 HA TYR 53 HA TYR 53 1.375 -1.401 -0.059 373 HB2 TYR 53 1HB TYR 53 -0.271 -0.382 -1.476 374 HB3 TYR 53 2HB TYR 53 -1.040 -1.265 -0.176 375 HD1 TYR 53 1HD TYR 53 -1.813 0.255 1.919 376 HD2 TYR 53 2HD TYR 53 -1.081 1.731 -2.069 377 HE1 TYR 53 1HE TYR 53 -3.426 2.065 2.300 378 HE2 TYR 53 2HE TYR 53 -2.721 3.547 -1.694 379 HH TYR 53 HH TYR 53 -4.592 3.778 1.369 380 H TRP 54 H TRP 54 2.312 -0.133 -1.765 381 HA TRP 54 HA TRP 54 3.738 2.314 -0.911 382 HB2 TRP 54 1HB TRP 54 5.073 0.696 -2.163 383 HB3 TRP 54 2HB TRP 54 3.852 0.534 -3.389 384 HD1 TRP 54 HD TRP 54 4.302 1.783 -5.516 385 HE1 TRP 54 1HE TRP 54 5.519 3.901 -6.228 386 HE3 TRP 54 3HE TRP 54 5.963 3.337 -0.934 387 HZ2 TRP 54 2HZ TRP 54 7.151 5.997 -4.971 388 HZ3 TRP 54 3HZ TRP 54 7.294 5.359 -0.715 389 HH2 TRP 54 HH TRP 54 7.906 6.740 -2.748 390 H ASP 55 H ASP 55 2.698 4.239 -1.230 391 HA ASP 55 HA ASP 55 0.741 4.445 -3.468 392 HB2 ASP 55 1HB ASP 55 -0.428 4.685 -1.351 393 HB3 ASP 55 2HB ASP 55 0.699 5.949 -0.834 394 H GLY 56 H GLY 56 2.154 5.032 -5.010 395 HA2 GLY 56 1HA GLY 56 4.152 7.035 -4.782 396 HA3 GLY 56 2HA GLY 56 3.449 6.393 -6.270 397 H GLU 57 H GLU 57 0.610 7.370 -4.837 398 HA GLU 57 HA GLU 57 0.584 9.942 -6.220 399 HB2 GLU 57 1HB GLU 57 -1.316 8.848 -4.120 400 HB3 GLU 57 2HB GLU 57 -1.595 10.221 -5.179 401 HG2 GLU 57 1HG GLU 57 -1.449 8.673 -7.149 402 HG3 GLU 57 2HG GLU 57 -1.381 7.285 -6.064 403 H ARG 58 H ARG 58 1.454 8.685 -3.107 404 HA ARG 58 HA ARG 58 1.833 11.415 -1.947 405 HB2 ARG 58 1HB ARG 58 1.100 8.729 -0.710 406 HB3 ARG 58 2HB ARG 58 1.567 10.161 0.232 407 HG2 ARG 58 1HG ARG 58 -0.218 11.449 -0.987 408 HG3 ARG 58 2HG ARG 58 -0.826 9.929 -1.643 409 HD2 ARG 58 1HD ARG 58 -1.753 9.290 0.306 410 HD3 ARG 58 2HD ARG 58 -0.396 9.850 1.295 411 HE ARG 58 HE ARG 58 -2.765 11.347 0.475 412 HH11 ARG 58 1HH1 ARG 58 0.683 11.881 1.438 413 HH12 ARG 58 2HH1 ARG 58 0.397 13.538 1.732 414 HH21 ARG 58 1HH2 ARG 58 -3.083 13.479 1.215 415 HH22 ARG 58 2HH2 ARG 58 -1.789 14.344 2.002 416 H ARG 59 H ARG 59 3.490 8.963 -3.275 417 HA ARG 59 HA ARG 59 5.558 7.946 -3.049 418 HB2 ARG 59 1HB ARG 59 6.334 10.786 -2.260 419 HB3 ARG 59 2HB ARG 59 7.473 9.490 -2.595 420 HG2 ARG 59 1HG ARG 59 6.707 9.256 -4.882 421 HG3 ARG 59 2HG ARG 59 5.420 10.443 -4.627 422 HD2 ARG 59 1HD ARG 59 7.362 11.467 -5.771 423 HD3 ARG 59 2HD ARG 59 7.030 12.213 -4.197 424 HE ARG 59 HE ARG 59 8.965 10.112 -3.946 425 HH11 ARG 59 1HH1 ARG 59 8.725 13.545 -4.902 426 HH12 ARG 59 2HH1 ARG 59 10.326 13.918 -4.407 427 HH21 ARG 59 1HH2 ARG 59 11.037 10.644 -3.282 428 HH22 ARG 59 2HH2 ARG 59 11.806 12.105 -3.840 429 H THR 60 H THR 60 4.067 7.089 -0.988 430 HA THR 60 HA THR 60 6.089 6.826 1.055 431 HB THR 60 HB THR 60 4.848 8.951 1.631 432 HG1 THR 60 1HG THR 60 5.008 8.487 3.740 433 HG21 THR 60 3HG2 THR 60 2.655 8.898 2.587 434 HG22 THR 60 1HG2 THR 60 2.580 7.121 2.480 435 HG23 THR 60 2HG2 THR 60 2.536 8.102 1.008 436 H TYR 61 H TYR 61 5.068 5.423 2.907 437 HA TYR 61 HA TYR 61 3.515 3.219 1.636 438 HB2 TYR 61 1HB TYR 61 5.283 3.184 4.118 439 HB3 TYR 61 2HB TYR 61 4.288 1.841 3.543 440 HD1 TYR 61 1HD TYR 61 4.744 0.773 1.319 441 HD2 TYR 61 2HD TYR 61 7.363 3.770 2.970 442 HE1 TYR 61 1HE TYR 61 6.559 -0.042 -0.132 443 HE2 TYR 61 2HE TYR 61 9.142 3.055 1.396 444 HH TYR 61 HH TYR 61 8.747 0.404 -0.867 445 H VAL 62 H VAL 62 1.565 2.709 2.474 446 HA VAL 62 HA VAL 62 0.566 4.194 4.837 447 HB VAL 62 HB VAL 62 -1.639 4.071 3.320 448 HG11 VAL 62 1HG1 VAL 62 -1.239 6.425 2.711 449 HG12 VAL 62 2HG1 VAL 62 -0.698 6.098 4.363 450 HG13 VAL 62 3HG1 VAL 62 0.495 6.235 3.058 451 HG21 VAL 62 3HG2 VAL 62 -1.256 4.678 1.004 452 HG22 VAL 62 1HG2 VAL 62 0.496 4.652 1.203 453 HG23 VAL 62 2HG2 VAL 62 -0.416 3.140 1.292 454 HA PRO 63 HA PRO 63 -0.525 0.071 5.864 455 HB2 PRO 63 1HB PRO 63 -2.368 0.354 7.817 456 HB3 PRO 63 2HB PRO 63 -0.674 0.878 8.024 457 HG2 PRO 63 1HG PRO 63 -3.097 2.583 7.380 458 HG3 PRO 63 2HG PRO 63 -1.738 2.920 8.503 459 HD2 PRO 63 1HD PRO 63 -1.907 3.884 5.900 460 HD3 PRO 63 2HD PRO 63 -0.373 3.652 6.794 461 H ALA 64 H ALA 64 -1.878 -1.512 4.948 462 HA ALA 64 HA ALA 64 -4.039 -0.385 3.301 463 HB1 ALA 64 1HB ALA 64 -2.878 -3.209 3.137 464 HB2 ALA 64 2HB ALA 64 -3.866 -2.354 1.936 465 HB3 ALA 64 3HB ALA 64 -2.215 -1.806 2.250 466 H LEU 65 H LEU 65 -4.540 -1.079 6.127 467 HA LEU 65 HA LEU 65 -6.474 -3.220 6.000 468 HB2 LEU 65 1HB LEU 65 -6.996 -2.996 8.218 469 HB3 LEU 65 2HB LEU 65 -5.261 -2.944 8.059 470 HG LEU 65 HG LEU 65 -7.113 -0.555 8.616 471 HD11 LEU 65 1HD1 LEU 65 -6.794 -1.976 10.555 472 HD12 LEU 65 2HD1 LEU 65 -5.743 -0.566 10.748 473 HD13 LEU 65 3HD1 LEU 65 -5.054 -2.118 10.237 474 HD21 LEU 65 3HD2 LEU 65 -4.838 0.604 8.876 475 HD22 LEU 65 1HD2 LEU 65 -5.391 0.223 7.228 476 HD23 LEU 65 2HD2 LEU 65 -4.184 -0.825 8.003 477 H GLU 66 H GLU 66 -8.656 -2.989 6.532 478 HA GLU 66 HA GLU 66 -10.712 -2.324 6.604 479 HB2 GLU 66 1HB GLU 66 -9.381 0.236 7.502 480 HB3 GLU 66 2HB GLU 66 -11.139 -0.062 7.566 481 HG2 GLU 66 1HG GLU 66 -10.639 -2.200 8.838 482 HG3 GLU 66 2HG GLU 66 -8.987 -1.698 8.947 483 H GLN 67 H GLN 67 -9.139 0.359 4.798 484 HA GLN 67 HA GLN 67 -9.611 1.191 2.724 485 HB2 GLN 67 1HB GLN 67 -9.701 -1.540 2.427 486 HB3 GLN 67 2HB GLN 67 -11.246 -1.089 1.719 487 HG2 GLN 67 1HG GLN 67 -8.587 0.219 0.962 488 HG3 GLN 67 2HG GLN 67 -9.046 -1.343 0.320 489 HE21 GLN 67 1HE2 GLN 67 -8.551 0.236 -1.583 490 HE22 GLN 67 2HE2 GLN 67 -9.894 1.180 -2.222 491 H SER 68 H SER 68 -12.195 0.992 1.226 492 HA SER 68 HA SER 68 -14.242 1.890 1.182 493 HB2 SER 68 1HB SER 68 -14.252 0.407 3.826 494 HB3 SER 68 2HB SER 68 -15.692 0.906 2.918 495 HG SER 68 HG SER 68 -15.171 -1.150 2.274 496 H ALA 69 H ALA 69 -12.372 3.440 3.396 497 HA ALA 69 HA ALA 69 -12.406 5.521 4.299 498 HB1 ALA 69 1HB ALA 69 -13.899 7.248 3.416 499 HB2 ALA 69 2HB ALA 69 -13.146 6.337 2.098 500 HB3 ALA 69 3HB ALA 69 -14.844 6.036 2.550 501 H ASP 70 H ASP 70 -13.267 3.489 5.775 502 HA ASP 70 HA ASP 70 -15.809 4.134 7.103 503 HB2 ASP 70 1HB ASP 70 -15.405 1.859 8.073 504 HB3 ASP 70 2HB ASP 70 -15.701 1.936 6.337 505 H GLY 71 H GLY 71 -12.388 3.679 7.807 506 HA2 GLY 71 1HA GLY 71 -11.105 4.762 9.406 507 HA3 GLY 71 2HA GLY 71 -12.555 5.368 10.199 508 H HIS 72 H HIS 72 -13.954 3.145 10.902 509 HA HIS 72 HA HIS 72 -12.311 1.318 12.474 510 HB2 HIS 72 1HB HIS 72 -13.965 3.431 13.943 511 HB3 HIS 72 2HB HIS 72 -13.061 2.113 14.670 512 HD1 HIS 72 1HD HIS 72 -12.739 5.595 14.680 513 HD2 HIS 72 2HD HIS 72 -10.171 2.401 13.662 514 HE1 HIS 72 1HE HIS 72 -10.364 6.470 14.925 515 H LYS 73 H LYS 73 -14.355 0.924 10.463 516 HA LYS 73 HA LYS 73 -16.699 0.018 12.018 517 HB2 LYS 73 1HB LYS 73 -16.760 2.166 9.863 518 HB3 LYS 73 2HB LYS 73 -18.156 1.181 10.295 519 HG2 LYS 73 1HG LYS 73 -17.926 1.935 12.673 520 HG3 LYS 73 2HG LYS 73 -16.638 3.041 12.182 521 HD2 LYS 73 1HD LYS 73 -19.449 3.112 11.021 522 HD3 LYS 73 2HD LYS 73 -18.999 4.008 12.460 523 HE2 LYS 73 1HE LYS 73 -17.558 4.346 9.796 524 HE3 LYS 73 2HE LYS 73 -18.989 5.276 10.251 525 HZ1 LYS 73 3HZ LYS 73 -17.067 6.528 10.817 526 HZ2 LYS 73 1HZ LYS 73 -16.404 5.311 11.684 527 HZ3 LYS 73 2HZ LYS 73 -17.738 6.048 12.233 528 H GLU 74 H GLU 74 -17.053 -1.993 11.382 529 HA GLU 74 HA GLU 74 -17.483 -3.789 10.283 530 HB2 GLU 74 1HB GLU 74 -17.941 -2.022 8.162 531 HB3 GLU 74 2HB GLU 74 -16.409 -2.809 7.671 532 HG2 GLU 74 1HG GLU 74 -18.194 -3.972 6.663 533 HG3 GLU 74 2HG GLU 74 -17.574 -5.046 7.901 534 H THR 75 H THR 75 -14.639 -2.069 9.293 535 HA THR 75 HA THR 75 -12.551 -2.739 9.167 536 HB THR 75 HB THR 75 -13.003 -5.492 10.282 537 HG1 THR 75 1HG THR 75 -13.439 -4.804 12.329 538 HG21 THR 75 3HG2 THR 75 -11.427 -3.045 10.994 539 HG22 THR 75 1HG2 THR 75 -10.850 -4.368 9.940 540 HG23 THR 75 2HG2 THR 75 -11.135 -4.659 11.694 541 H GLY 76 H GLY 76 -14.994 -4.149 7.562 542 HA2 GLY 76 1HA GLY 76 -13.578 -5.308 5.343 543 HA3 GLY 76 2HA GLY 76 -13.748 -6.514 6.637 544 H ALA 77 H ALA 77 -15.666 -4.260 4.632 545 HA ALA 77 HA ALA 77 -17.642 -6.480 4.278 546 HB1 ALA 77 1HB ALA 77 -19.046 -4.466 3.209 547 HB2 ALA 77 2HB ALA 77 -19.134 -4.854 4.922 548 HB3 ALA 77 3HB ALA 77 -18.114 -3.508 4.365 549 HA PRO 78 HA PRO 78 -16.236 -6.626 0.045 550 HB2 PRO 78 1HB PRO 78 -18.583 -6.891 -1.401 551 HB3 PRO 78 2HB PRO 78 -17.821 -8.211 -0.467 552 HG2 PRO 78 1HG PRO 78 -20.050 -6.363 0.412 553 HG3 PRO 78 2HG PRO 78 -19.976 -8.151 0.548 554 HD2 PRO 78 1HD PRO 78 -19.377 -6.586 2.631 555 HD3 PRO 78 2HD PRO 78 -18.380 -8.028 2.295 556 H SER 79 H SER 79 -15.357 -4.735 -0.557 557 HA SER 79 HA SER 79 -16.840 -2.953 -2.309 558 HB2 SER 79 1HB SER 79 -17.065 -1.835 -0.060 559 HB3 SER 79 2HB SER 79 -15.291 -1.898 0.095 560 HG SER 79 HG SER 79 -16.479 0.059 -0.854 561 H LYS 80 H LYS 80 -15.475 -2.860 -4.047 562 HA LYS 80 HA LYS 80 -12.709 -2.401 -3.622 563 HB2 LYS 80 1HB LYS 80 -13.124 -5.068 -3.561 564 HB3 LYS 80 2HB LYS 80 -13.009 -4.907 -5.298 565 HG2 LYS 80 1HG LYS 80 -10.903 -3.467 -3.668 566 HG3 LYS 80 2HG LYS 80 -10.903 -5.210 -3.517 567 HD2 LYS 80 1HD LYS 80 -10.827 -3.854 -6.230 568 HD3 LYS 80 2HD LYS 80 -9.377 -4.239 -5.284 569 HE2 LYS 80 1HE LYS 80 -10.043 -6.597 -5.145 570 HE3 LYS 80 2HE LYS 80 -11.506 -6.278 -6.085 571 HZ1 LYS 80 3HZ LYS 80 -9.679 -7.190 -7.358 572 HZ2 LYS 80 1HZ LYS 80 -8.748 -5.920 -7.025 573 HZ3 LYS 80 2HZ LYS 80 -10.128 -5.705 -7.961 574 H GLU 81 H GLU 81 -14.775 -1.065 -4.580 575 HA GLU 81 HA GLU 81 -15.545 0.319 -6.144 576 HB2 GLU 81 1HB GLU 81 -13.205 1.101 -6.167 577 HB3 GLU 81 2HB GLU 81 -12.884 0.049 -7.556 578 HG2 GLU 81 1HG GLU 81 -14.751 1.217 -8.806 579 HG3 GLU 81 2HG GLU 81 -14.956 2.293 -7.421 580 H GLY 82 H GLY 82 -17.276 -0.848 -6.980 581 HA2 GLY 82 1HA GLY 82 -18.363 -1.715 -8.945 582 HA3 GLY 82 2HA GLY 82 -16.825 -2.372 -9.516 583 H LYS 83 H LYS 83 -18.076 -2.638 -6.234 584 HA LYS 83 HA LYS 83 -19.594 -4.914 -6.216 585 HB2 LYS 83 1HB LYS 83 -18.043 -6.609 -5.216 586 HB3 LYS 83 2HB LYS 83 -17.843 -6.347 -6.922 587 HG2 LYS 83 1HG LYS 83 -15.828 -4.808 -6.326 588 HG3 LYS 83 2HG LYS 83 -16.045 -5.360 -4.669 589 HD2 LYS 83 1HD LYS 83 -14.524 -6.891 -5.281 590 HD3 LYS 83 2HD LYS 83 -15.922 -7.787 -5.846 591 HE2 LYS 83 1HE LYS 83 -14.092 -5.996 -7.524 592 HE3 LYS 83 2HE LYS 83 -14.052 -7.760 -7.484 593 HZ1 LYS 83 3HZ LYS 83 -16.319 -6.137 -8.456 594 HZ2 LYS 83 1HZ LYS 83 -16.259 -7.794 -8.415 595 HZ3 LYS 83 2HZ LYS 83 -15.231 -6.946 -9.389 596 H GLU 84 H GLU 84 -19.992 -2.568 -5.000 597 HA GLU 84 HA GLU 84 -19.321 -3.053 -2.152 598 HB2 GLU 84 1HB GLU 84 -19.013 -0.789 -1.601 599 HB3 GLU 84 2HB GLU 84 -17.914 -1.217 -2.846 600 HG2 GLU 84 1HG GLU 84 -19.953 -0.202 -4.357 601 HG3 GLU 84 2HG GLU 84 -20.051 0.758 -2.874 602 H LYS 85 H LYS 85 -20.765 -1.465 -0.826 603 HA LYS 85 HA LYS 85 -23.578 -1.732 -1.465 604 HB2 LYS 85 1HB LYS 85 -22.178 -0.192 0.768 605 HB3 LYS 85 2HB LYS 85 -23.874 -0.663 0.731 606 HG2 LYS 85 1HG LYS 85 -21.438 -2.468 0.984 607 HG3 LYS 85 2HG LYS 85 -22.698 -2.183 2.178 608 HD2 LYS 85 1HD LYS 85 -22.977 -3.715 -0.455 609 HD3 LYS 85 2HD LYS 85 -22.980 -4.378 1.176 610 HE2 LYS 85 1HE LYS 85 -25.055 -3.173 1.713 611 HE3 LYS 85 2HE LYS 85 -25.054 -2.401 0.122 612 HZ1 LYS 85 3HZ LYS 85 -25.357 -5.281 0.658 613 HZ2 LYS 85 1HZ LYS 85 -25.323 -4.609 -0.869 614 HZ3 LYS 85 2HZ LYS 85 -26.531 -4.256 0.231 615 H LYS 86 H LYS 86 -22.273 -0.263 -3.495 616 HA LYS 86 HA LYS 86 -22.086 1.678 -4.646 617 HB2 LYS 86 1HB LYS 86 -24.222 2.588 -5.291 618 HB3 LYS 86 2HB LYS 86 -24.214 0.841 -5.209 619 HG2 LYS 86 1HG LYS 86 -25.469 0.893 -3.080 620 HG3 LYS 86 2HG LYS 86 -25.388 2.646 -3.044 621 HD2 LYS 86 1HD LYS 86 -27.594 1.802 -3.729 622 HD3 LYS 86 2HD LYS 86 -26.857 2.801 -4.957 623 HE2 LYS 86 1HE LYS 86 -26.006 0.268 -5.732 624 HE3 LYS 86 2HE LYS 86 -27.568 -0.092 -5.008 625 HZ1 LYS 86 3HZ LYS 86 -28.513 1.593 -6.532 626 HZ2 LYS 86 1HZ LYS 86 -27.745 0.382 -7.351 627 HZ3 LYS 86 2HZ LYS 86 -27.020 1.852 -7.170 628 H GLU 87 H GLU 87 -21.161 2.137 -1.976 629 HA GLU 87 HA GLU 87 -22.439 4.455 -0.881 630 HB2 GLU 87 1HB GLU 87 -21.777 2.295 0.231 631 HB3 GLU 87 2HB GLU 87 -20.100 2.787 0.158 632 HG2 GLU 87 1HG GLU 87 -20.518 4.642 1.684 633 HG3 GLU 87 2HG GLU 87 -22.270 4.493 1.469 634 H LYS 88 H LYS 88 -21.038 5.210 -3.260 635 HA LYS 88 HA LYS 88 -18.654 6.715 -2.203 636 HB2 LYS 88 1HB LYS 88 -17.863 6.717 -4.564 637 HB3 LYS 88 2HB LYS 88 -17.893 5.145 -3.769 638 HG2 LYS 88 1HG LYS 88 -19.557 4.293 -5.082 639 HG3 LYS 88 2HG LYS 88 -20.343 5.845 -5.366 640 HD2 LYS 88 1HD LYS 88 -17.585 5.398 -6.531 641 HD3 LYS 88 2HD LYS 88 -18.973 4.605 -7.282 642 HE2 LYS 88 1HE LYS 88 -20.158 6.779 -7.462 643 HE3 LYS 88 2HE LYS 88 -18.772 7.608 -6.731 644 HZ1 LYS 88 3HZ LYS 88 -18.854 7.691 -9.190 645 HZ2 LYS 88 1HZ LYS 88 -18.627 6.072 -9.246 646 HZ3 LYS 88 2HZ LYS 88 -17.459 7.061 -8.595 647 H HIS 89 H HIS 89 -21.726 7.555 -2.445 648 HA HIS 89 HA HIS 89 -21.435 9.682 -4.488 649 HB2 HIS 89 1HB HIS 89 -23.817 8.534 -3.006 650 HB3 HIS 89 2HB HIS 89 -23.901 9.939 -4.061 651 HD1 HIS 89 1HD HIS 89 -22.857 6.184 -4.385 652 HD2 HIS 89 2HD HIS 89 -24.148 9.538 -6.608 653 HE1 HIS 89 1HE HIS 89 -23.164 5.395 -6.784 654 H LYS 90 H LYS 90 -20.028 11.127 -3.381 655 HA LYS 90 HA LYS 90 -21.567 13.056 -1.955 656 HB2 LYS 90 1HB LYS 90 -20.129 13.340 -0.006 657 HB3 LYS 90 2HB LYS 90 -20.971 11.801 0.002 658 HG2 LYS 90 1HG LYS 90 -18.864 10.654 -0.713 659 HG3 LYS 90 2HG LYS 90 -18.026 12.226 -0.665 660 HD2 LYS 90 1HD LYS 90 -18.587 12.464 1.733 661 HD3 LYS 90 2HD LYS 90 -19.457 10.916 1.684 662 HE2 LYS 90 1HE LYS 90 -17.356 9.772 1.035 663 HE3 LYS 90 2HE LYS 90 -16.483 11.305 1.181 664 HZ1 LYS 90 3HZ LYS 90 -17.968 9.999 3.389 665 HZ2 LYS 90 1HZ LYS 90 -17.046 11.340 3.526 666 HZ3 LYS 90 2HZ LYS 90 -16.345 9.883 3.195 667 H THR 91 H THR 91 -20.663 15.114 -2.104 668 HA THR 91 HA THR 91 -17.970 15.546 -3.109 669 HB THR 91 HB THR 91 -20.138 16.876 -4.724 670 HG1 THR 91 1HG THR 91 -20.807 15.180 -5.663 671 HG21 THR 91 3HG2 THR 91 -18.472 16.534 -6.546 672 HG22 THR 91 1HG2 THR 91 -17.420 15.644 -5.428 673 HG23 THR 91 2HG2 THR 91 -17.740 17.371 -5.172 674 H LYS 92 H LYS 92 -18.308 18.343 -3.697 675 HA LYS 92 HA LYS 92 -20.087 19.636 -1.936 676 HB2 LYS 92 1HB LYS 92 -18.084 19.119 -0.428 677 HB3 LYS 92 2HB LYS 92 -17.090 20.099 -1.505 678 HG2 LYS 92 1HG LYS 92 -19.611 21.260 -0.255 679 HG3 LYS 92 2HG LYS 92 -18.173 21.030 0.719 680 HD2 LYS 92 1HD LYS 92 -16.913 22.418 -1.104 681 HD3 LYS 92 2HD LYS 92 -18.530 22.941 -1.608 682 HE2 LYS 92 1HE LYS 92 -19.068 23.798 0.533 683 HE3 LYS 92 2HE LYS 92 -17.658 23.047 1.287 684 HZ1 LYS 92 3HZ LYS 92 -17.544 25.296 -0.642 685 HZ2 LYS 92 1HZ LYS 92 -16.252 24.584 0.112 686 HZ3 LYS 92 2HZ LYS 92 -17.412 25.383 0.979 Start of MODEL 18 1 H1 GLY 1 H GLY 1 17.334 24.294 -2.724 2 HA2 GLY 1 1HA GLY 1 19.432 24.345 -3.971 3 HA3 GLY 1 2HA GLY 1 19.463 26.105 -3.710 4 H HIS 2 H HIS 2 19.709 22.937 -2.168 5 HA HIS 2 HA HIS 2 20.480 22.206 -0.189 6 HB2 HIS 2 1HB HIS 2 22.651 24.257 -0.661 7 HB3 HIS 2 2HB HIS 2 22.774 22.794 0.308 8 HD1 HIS 2 1HD HIS 2 21.680 20.616 -1.809 9 HD2 HIS 2 2HD HIS 2 24.383 23.775 -2.495 10 HE1 HIS 2 1HE HIS 2 22.939 20.020 -3.912 11 H MET 3 H MET 3 18.394 23.814 0.415 12 HA MET 3 HA MET 3 19.251 25.213 2.907 13 HB2 MET 3 1HB MET 3 16.497 25.194 1.603 14 HB3 MET 3 2HB MET 3 17.006 26.117 3.026 15 HG2 MET 3 1HG MET 3 18.817 27.146 1.516 16 HG3 MET 3 2HG MET 3 17.926 26.459 0.166 17 HE1 MET 3 3HE MET 3 15.278 27.156 -0.316 18 HE2 MET 3 1HE MET 3 14.814 27.052 1.403 19 HE3 MET 3 2HE MET 3 14.495 28.535 0.487 20 H GLN 4 H GLN 4 17.155 24.573 4.579 21 HA GLN 4 HA GLN 4 17.237 21.634 4.898 22 HB2 GLN 4 1HB GLN 4 15.958 23.942 6.443 23 HB3 GLN 4 2HB GLN 4 15.593 22.270 6.782 24 HG2 GLN 4 1HG GLN 4 18.319 23.566 6.983 25 HG3 GLN 4 2HG GLN 4 17.274 23.094 8.323 26 HE21 GLN 4 1HE2 GLN 4 20.035 22.170 7.081 27 HE22 GLN 4 2HE2 GLN 4 19.947 20.419 7.139 28 H GLU 5 H GLU 5 15.958 20.512 3.434 29 HA GLU 5 HA GLU 5 13.244 21.630 2.883 30 HB2 GLU 5 1HB GLU 5 14.775 21.522 0.950 31 HB3 GLU 5 2HB GLU 5 14.872 19.760 1.153 32 HG2 GLU 5 1HG GLU 5 12.544 19.480 0.617 33 HG3 GLU 5 2HG GLU 5 12.234 21.216 0.751 34 H SER 6 H SER 6 14.863 18.795 4.177 35 HA SER 6 HA SER 6 14.179 16.693 4.684 36 HB2 SER 6 1HB SER 6 11.615 18.129 5.410 37 HB3 SER 6 2HB SER 6 11.967 16.431 5.784 38 HG SER 6 HG SER 6 13.675 17.035 7.068 39 H TYR 7 H TYR 7 14.499 16.100 2.454 40 HA TYR 7 HA TYR 7 12.093 14.939 1.256 41 HB2 TYR 7 1HB TYR 7 13.461 17.182 0.105 42 HB3 TYR 7 2HB TYR 7 14.026 15.789 -0.779 43 HD1 TYR 7 2HD TYR 7 10.804 17.107 0.595 44 HD2 TYR 7 1HD TYR 7 12.803 15.212 -2.710 45 HE1 TYR 7 2HE TYR 7 8.712 17.295 -0.783 46 HE2 TYR 7 1HE TYR 7 10.762 15.441 -4.096 47 HH TYR 7 HH TYR 7 7.902 17.253 -2.994 48 H SER 8 H SER 8 12.823 13.140 -0.243 49 HA SER 8 HA SER 8 13.885 11.232 -0.617 50 HB2 SER 8 1HB SER 8 16.439 12.708 0.045 51 HB3 SER 8 2HB SER 8 16.299 11.225 -0.902 52 HG SER 8 HG SER 8 15.916 13.840 -1.543 53 H GLN 9 H GLN 9 12.651 11.025 1.632 54 HA GLN 9 HA GLN 9 14.060 10.445 4.001 55 HB2 GLN 9 1HB GLN 9 11.345 10.135 2.805 56 HB3 GLN 9 2HB GLN 9 11.701 8.927 3.992 57 HG2 GLN 9 1HG GLN 9 12.261 11.843 4.620 58 HG3 GLN 9 2HG GLN 9 10.631 11.200 4.729 59 HE21 GLN 9 1HE2 GLN 9 10.611 8.867 5.892 60 HE22 GLN 9 2HE2 GLN 9 11.454 8.869 7.441 61 H TYR 10 H TYR 10 13.557 8.426 1.183 62 HA TYR 10 HA TYR 10 14.953 6.128 2.499 63 HB2 TYR 10 1HB TYR 10 12.416 6.215 0.889 64 HB3 TYR 10 2HB TYR 10 13.416 4.809 0.798 65 HD1 TYR 10 1HD TYR 10 11.424 6.884 3.142 66 HD2 TYR 10 2HD TYR 10 13.545 3.194 2.570 67 HE1 TYR 10 1HE TYR 10 10.262 5.925 5.123 68 HE2 TYR 10 2HE TYR 10 12.407 2.222 4.534 69 HH TYR 10 HH TYR 10 10.083 4.068 6.547 70 HA PRO 11 HA PRO 11 17.311 5.998 -1.399 71 HB2 PRO 11 1HB PRO 11 17.901 3.344 -1.618 72 HB3 PRO 11 2HB PRO 11 18.561 4.333 -0.277 73 HG2 PRO 11 1HG PRO 11 16.050 2.605 -0.247 74 HG3 PRO 11 2HG PRO 11 17.448 2.515 0.861 75 HD2 PRO 11 1HD PRO 11 15.288 3.954 1.528 76 HD3 PRO 11 2HD PRO 11 16.909 4.593 1.876 77 H VAL 12 H VAL 12 17.205 4.283 -3.461 78 HA VAL 12 HA VAL 12 14.356 3.862 -4.199 79 HB VAL 12 HB VAL 12 16.701 4.604 -5.987 80 HG11 VAL 12 1HG1 VAL 12 13.762 4.058 -6.565 81 HG12 VAL 12 2HG1 VAL 12 14.896 4.772 -7.735 82 HG13 VAL 12 3HG1 VAL 12 15.147 3.123 -7.152 83 HG21 VAL 12 3HG2 VAL 12 14.256 6.238 -5.175 84 HG22 VAL 12 1HG2 VAL 12 15.942 6.578 -4.728 85 HG23 VAL 12 2HG2 VAL 12 15.441 6.695 -6.414 86 HA PRO 13 HA PRO 13 16.639 -0.127 -3.771 87 HB2 PRO 13 1HB PRO 13 14.695 -1.666 -2.702 88 HB3 PRO 13 2HB PRO 13 15.513 -0.417 -1.729 89 HG2 PRO 13 1HG PRO 13 12.852 -0.147 -3.169 90 HG3 PRO 13 2HG PRO 13 13.224 0.222 -1.453 91 HD2 PRO 13 1HD PRO 13 13.254 2.141 -3.402 92 HD3 PRO 13 2HD PRO 13 14.404 2.174 -2.031 93 H ASP 14 H ASP 14 16.272 -2.290 -4.908 94 HA ASP 14 HA ASP 14 14.417 -2.080 -7.230 95 HB2 ASP 14 1HB ASP 14 16.815 -1.267 -7.740 96 HB3 ASP 14 2HB ASP 14 17.298 -2.951 -7.558 97 H VAL 15 H VAL 15 13.509 -4.051 -7.810 98 HA VAL 15 HA VAL 15 13.710 -6.215 -6.013 99 HB VAL 15 HB VAL 15 11.754 -5.568 -7.322 100 HG11 VAL 15 1HG1 VAL 15 13.154 -6.782 -9.729 101 HG12 VAL 15 2HG1 VAL 15 11.489 -6.168 -9.666 102 HG13 VAL 15 3HG1 VAL 15 12.836 -5.042 -9.487 103 HG21 VAL 15 3HG2 VAL 15 11.751 -7.758 -6.353 104 HG22 VAL 15 1HG2 VAL 15 10.922 -7.748 -7.909 105 HG23 VAL 15 2HG2 VAL 15 12.551 -8.454 -7.793 106 H SER 16 H SER 16 15.710 -5.437 -8.745 107 HA SER 16 HA SER 16 16.856 -8.040 -9.157 108 HB2 SER 16 1HB SER 16 16.833 -5.923 -10.665 109 HB3 SER 16 2HB SER 16 18.191 -5.368 -9.681 110 HG SER 16 HG SER 16 19.197 -7.475 -10.289 111 H THR 17 H THR 17 16.903 -6.366 -6.255 112 HA THR 17 HA THR 17 19.462 -7.740 -5.622 113 HB THR 17 HB THR 17 19.572 -5.219 -5.735 114 HG1 THR 17 1HG THR 17 20.367 -6.593 -3.401 115 HG21 THR 17 3HG2 THR 17 17.839 -4.218 -4.582 116 HG22 THR 17 1HG2 THR 17 19.188 -4.070 -3.487 117 HG23 THR 17 2HG2 THR 17 17.966 -5.318 -3.183 118 H TYR 18 H TYR 18 16.208 -8.114 -5.356 119 HA TYR 18 HA TYR 18 16.096 -8.671 -2.501 120 HB2 TYR 18 1HB TYR 18 14.011 -9.080 -4.630 121 HB3 TYR 18 2HB TYR 18 13.829 -9.164 -2.896 122 HD1 TYR 18 2HD TYR 18 15.779 -6.635 -2.502 123 HD2 TYR 18 1HD TYR 18 11.976 -7.621 -4.198 124 HE1 TYR 18 2HE TYR 18 15.123 -4.286 -2.329 125 HE2 TYR 18 1HE TYR 18 11.270 -5.285 -4.115 126 HH TYR 18 HH TYR 18 11.811 -3.156 -3.235 127 H GLN 19 H GLN 19 15.644 -10.695 -1.695 128 HA GLN 19 HA GLN 19 17.022 -13.025 -3.017 129 HB2 GLN 19 1HB GLN 19 16.180 -12.498 -0.112 130 HB3 GLN 19 2HB GLN 19 16.952 -13.973 -0.687 131 HG2 GLN 19 1HG GLN 19 18.970 -12.737 -1.269 132 HG3 GLN 19 2HG GLN 19 18.173 -11.215 -0.817 133 HE21 GLN 19 1HE2 GLN 19 18.885 -10.507 1.153 134 HE22 GLN 19 2HE2 GLN 19 19.385 -11.517 2.488 135 H TYR 20 H TYR 20 15.373 -14.089 -4.287 136 HA TYR 20 HA TYR 20 12.669 -14.220 -3.596 137 HB2 TYR 20 1HB TYR 20 13.568 -14.774 -5.788 138 HB3 TYR 20 2HB TYR 20 14.433 -16.150 -5.122 139 HD1 TYR 20 1HD TYR 20 10.989 -14.724 -5.556 140 HD2 TYR 20 2HD TYR 20 13.344 -18.290 -5.017 141 HE1 TYR 20 1HE TYR 20 9.009 -16.088 -6.084 142 HE2 TYR 20 2HE TYR 20 11.409 -19.676 -5.651 143 HH TYR 20 HH TYR 20 8.452 -18.230 -6.957 144 H ASP 21 H ASP 21 11.315 -15.956 -2.591 145 HA ASP 21 HA ASP 21 12.843 -17.892 -0.970 146 HB2 ASP 21 1HB ASP 21 11.004 -15.742 0.004 147 HB3 ASP 21 2HB ASP 21 10.617 -17.356 0.588 148 H GLU 22 H GLU 22 12.449 -19.462 -2.403 149 HA GLU 22 HA GLU 22 10.056 -20.001 -3.767 150 HB2 GLU 22 1HB GLU 22 10.814 -22.444 -3.688 151 HB3 GLU 22 2HB GLU 22 11.899 -21.314 -4.475 152 HG2 GLU 22 1HG GLU 22 13.450 -21.313 -2.827 153 HG3 GLU 22 2HG GLU 22 12.345 -21.856 -1.556 154 H THR 23 H THR 23 10.865 -20.711 -0.381 155 HA THR 23 HA THR 23 8.821 -22.628 -0.008 156 HB THR 23 HB THR 23 10.952 -22.122 1.350 157 HG1 THR 23 1HG THR 23 9.203 -22.628 3.291 158 HG21 THR 23 3HG2 THR 23 9.056 -20.393 3.006 159 HG22 THR 23 1HG2 THR 23 10.336 -19.732 1.973 160 HG23 THR 23 2HG2 THR 23 10.756 -20.783 3.337 161 H SER 24 H SER 24 8.409 -19.324 -0.594 162 HA SER 24 HA SER 24 5.559 -19.684 0.110 163 HB2 SER 24 1HB SER 24 7.106 -17.180 0.870 164 HB3 SER 24 2HB SER 24 5.348 -17.421 0.994 165 HG SER 24 HG SER 24 6.513 -19.530 2.096 166 H GLY 25 H GLY 25 8.024 -18.462 -2.107 167 HA2 GLY 25 1HA GLY 25 7.591 -18.543 -4.370 168 HA3 GLY 25 2HA GLY 25 5.852 -18.417 -4.099 169 H TYR 26 H TYR 26 8.057 -16.249 -2.428 170 HA TYR 26 HA TYR 26 7.086 -13.916 -4.004 171 HB2 TYR 26 1HB TYR 26 6.890 -14.547 -1.046 172 HB3 TYR 26 2HB TYR 26 7.214 -12.895 -1.506 173 HD1 TYR 26 1HD TYR 26 4.862 -15.668 -2.617 174 HD2 TYR 26 2HD TYR 26 5.361 -11.481 -1.677 175 HE1 TYR 26 1HE TYR 26 2.464 -15.301 -3.039 176 HE2 TYR 26 2HE TYR 26 2.940 -11.142 -1.963 177 HH TYR 26 HH TYR 26 0.829 -12.633 -1.909 178 H TYR 27 H TYR 27 8.452 -11.944 -3.096 179 HA TYR 27 HA TYR 27 11.304 -12.730 -3.168 180 HB2 TYR 27 1HB TYR 27 9.735 -10.295 -4.075 181 HB3 TYR 27 2HB TYR 27 11.461 -10.200 -3.878 182 HD1 TYR 27 2HD TYR 27 8.697 -11.922 -5.695 183 HD2 TYR 27 1HD TYR 27 12.970 -11.361 -5.527 184 HE1 TYR 27 2HE TYR 27 8.953 -13.168 -7.828 185 HE2 TYR 27 1HE TYR 27 13.246 -12.665 -7.537 186 HH TYR 27 HH TYR 27 10.434 -13.962 -9.415 187 H TYR 28 H TYR 28 12.612 -12.120 -1.309 188 HA TYR 28 HA TYR 28 11.213 -10.687 0.881 189 HB2 TYR 28 1HB TYR 28 12.138 -12.811 1.686 190 HB3 TYR 28 2HB TYR 28 13.647 -12.529 0.845 191 HD1 TYR 28 1HD TYR 28 11.482 -10.554 3.201 192 HD2 TYR 28 2HD TYR 28 15.445 -11.884 2.193 193 HE1 TYR 28 1HE TYR 28 12.384 -9.236 5.088 194 HE2 TYR 28 2HE TYR 28 16.379 -10.519 4.038 195 HH TYR 28 HH TYR 28 14.345 -8.589 6.262 196 H ASP 29 H ASP 29 12.125 -8.731 1.463 197 HA ASP 29 HA ASP 29 13.824 -7.576 -0.628 198 HB2 ASP 29 1HB ASP 29 11.767 -6.306 1.186 199 HB3 ASP 29 2HB ASP 29 12.562 -5.589 -0.202 200 HA PRO 30 HA PRO 30 16.174 -7.561 3.428 201 HB2 PRO 30 1HB PRO 30 18.725 -7.619 2.415 202 HB3 PRO 30 2HB PRO 30 17.700 -9.076 2.611 203 HG2 PRO 30 1HG PRO 30 18.052 -7.349 0.116 204 HG3 PRO 30 2HG PRO 30 18.225 -9.123 0.233 205 HD2 PRO 30 1HD PRO 30 15.921 -8.067 -0.586 206 HD3 PRO 30 2HD PRO 30 15.869 -9.364 0.648 207 H GLN 31 H GLN 31 16.135 -5.239 0.935 208 HA GLN 31 HA GLN 31 18.041 -3.401 2.192 209 HB2 GLN 31 1HB GLN 31 17.552 -3.464 -0.298 210 HB3 GLN 31 2HB GLN 31 15.953 -2.759 0.051 211 HG2 GLN 31 1HG GLN 31 16.882 -0.722 0.798 212 HG3 GLN 31 2HG GLN 31 18.456 -1.443 1.151 213 HE21 GLN 31 1HE2 GLN 31 19.092 0.648 0.114 214 HE22 GLN 31 2HE2 GLN 31 19.334 0.635 -1.630 215 H THR 32 H THR 32 14.588 -4.131 2.427 216 HA THR 32 HA THR 32 14.127 -1.765 4.164 217 HB THR 32 HB THR 32 11.787 -1.970 2.842 218 HG1 THR 32 1HG THR 32 12.248 -2.390 0.654 219 HG21 THR 32 3HG2 THR 32 14.391 -0.639 1.822 220 HG22 THR 32 1HG2 THR 32 13.191 0.075 2.919 221 HG23 THR 32 2HG2 THR 32 12.801 -0.246 1.221 222 H GLY 33 H GLY 33 13.462 -5.156 3.546 223 HA2 GLY 33 1HA GLY 33 13.278 -6.518 5.515 224 HA3 GLY 33 2HA GLY 33 12.322 -5.226 6.272 225 H LEU 34 H LEU 34 11.042 -5.361 3.262 226 HA LEU 34 HA LEU 34 8.602 -6.587 4.194 227 HB2 LEU 34 1HB LEU 34 9.564 -5.350 1.609 228 HB3 LEU 34 2HB LEU 34 7.882 -5.710 1.944 229 HG LEU 34 HG LEU 34 8.556 -3.308 2.065 230 HD11 LEU 34 1HD1 LEU 34 7.630 -4.559 4.718 231 HD12 LEU 34 2HD1 LEU 34 6.522 -4.052 3.415 232 HD13 LEU 34 3HD1 LEU 34 7.472 -2.853 4.353 233 HD21 LEU 34 3HD2 LEU 34 9.654 -2.238 3.506 234 HD22 LEU 34 1HD2 LEU 34 10.651 -3.574 2.856 235 HD23 LEU 34 2HD2 LEU 34 9.987 -3.654 4.541 236 H TYR 35 H TYR 35 7.408 -7.841 2.266 237 HA TYR 35 HA TYR 35 9.329 -9.422 0.667 238 HB2 TYR 35 1HB TYR 35 6.626 -10.216 1.798 239 HB3 TYR 35 2HB TYR 35 7.253 -10.959 0.342 240 HD1 TYR 35 1HD TYR 35 8.300 -10.289 3.904 241 HD2 TYR 35 2HD TYR 35 8.591 -12.841 0.451 242 HE1 TYR 35 1HE TYR 35 9.764 -11.822 5.173 243 HE2 TYR 35 2HE TYR 35 9.998 -14.401 1.674 244 HH TYR 35 HH TYR 35 11.310 -14.683 3.561 245 H TYR 36 H TYR 36 8.994 -9.226 -1.534 246 HA TYR 36 HA TYR 36 6.935 -7.292 -2.469 247 HB2 TYR 36 1HB TYR 36 9.221 -6.615 -2.884 248 HB3 TYR 36 2HB TYR 36 9.607 -8.143 -3.629 249 HD1 TYR 36 1HD TYR 36 8.797 -8.645 -5.939 250 HD2 TYR 36 2HD TYR 36 8.115 -4.862 -4.043 251 HE1 TYR 36 1HE TYR 36 8.375 -7.609 -8.174 252 HE2 TYR 36 2HE TYR 36 7.526 -3.837 -6.261 253 HH TYR 36 HH TYR 36 7.814 -4.121 -8.640 254 H ASP 37 H ASP 37 5.639 -7.878 -4.332 255 HA ASP 37 HA ASP 37 6.072 -10.696 -5.296 256 HB2 ASP 37 1HB ASP 37 3.998 -10.506 -3.984 257 HB3 ASP 37 2HB ASP 37 3.469 -9.242 -5.091 258 HA PRO 38 HA PRO 38 6.576 -8.759 -9.215 259 HB2 PRO 38 1HB PRO 38 6.065 -10.910 -10.935 260 HB3 PRO 38 2HB PRO 38 7.587 -10.681 -10.023 261 HG2 PRO 38 1HG PRO 38 5.141 -12.275 -9.150 262 HG3 PRO 38 2HG PRO 38 6.860 -12.835 -9.216 263 HD2 PRO 38 1HD PRO 38 5.952 -12.001 -6.924 264 HD3 PRO 38 2HD PRO 38 7.468 -11.281 -7.482 265 H ASN 39 H ASN 39 3.466 -10.451 -8.588 266 HA ASN 39 HA ASN 39 2.104 -8.935 -10.758 267 HB2 ASN 39 1HB ASN 39 1.449 -11.281 -9.002 268 HB3 ASN 39 2HB ASN 39 0.154 -10.152 -9.273 269 HD21 ASN 39 1HD2 ASN 39 1.949 -12.724 -10.689 270 HD22 ASN 39 2HD2 ASN 39 1.150 -12.650 -12.235 271 H SER 40 H SER 40 2.915 -8.705 -7.410 272 HA SER 40 HA SER 40 0.801 -6.656 -6.945 273 HB2 SER 40 1HB SER 40 1.466 -8.616 -4.774 274 HB3 SER 40 2HB SER 40 -0.033 -7.792 -5.157 275 HG SER 40 HG SER 40 1.166 -10.014 -6.471 276 H GLN 41 H GLN 41 2.505 -5.087 -7.312 277 HA GLN 41 HA GLN 41 4.851 -4.816 -5.771 278 HB2 GLN 41 1HB GLN 41 3.109 -2.671 -7.063 279 HB3 GLN 41 2HB GLN 41 4.701 -2.397 -6.343 280 HG2 GLN 41 1HG GLN 41 5.217 -2.572 -8.548 281 HG3 GLN 41 2HG GLN 41 5.636 -4.143 -7.883 282 HE21 GLN 41 1HE2 GLN 41 4.582 -6.007 -8.722 283 HE22 GLN 41 2HE2 GLN 41 3.439 -5.889 -10.054 284 H TYR 42 H TYR 42 2.054 -5.164 -4.258 285 HA TYR 42 HA TYR 42 2.177 -3.005 -2.309 286 HB2 TYR 42 1HB TYR 42 0.466 -5.515 -2.376 287 HB3 TYR 42 2HB TYR 42 0.268 -4.125 -1.305 288 HD1 TYR 42 2HD TYR 42 0.426 -1.775 -2.851 289 HD2 TYR 42 1HD TYR 42 -1.139 -5.574 -4.147 290 HE1 TYR 42 2HE TYR 42 -0.870 -0.635 -4.581 291 HE2 TYR 42 1HE TYR 42 -2.400 -4.436 -5.934 292 HH TYR 42 HH TYR 42 -2.321 -0.854 -6.350 293 H TYR 43 H TYR 43 4.083 -3.167 -1.343 294 HA TYR 43 HA TYR 43 5.583 -5.548 -0.811 295 HB2 TYR 43 1HB TYR 43 5.737 -2.712 0.401 296 HB3 TYR 43 2HB TYR 43 6.719 -4.021 0.903 297 HD1 TYR 43 1HD TYR 43 5.916 -2.151 -2.317 298 HD2 TYR 43 2HD TYR 43 8.730 -4.457 -0.052 299 HE1 TYR 43 1HE TYR 43 7.701 -1.594 -3.929 300 HE2 TYR 43 2HE TYR 43 10.528 -3.839 -1.517 301 HH TYR 43 HH TYR 43 9.947 -1.858 -4.495 302 H TYR 44 H TYR 44 5.387 -6.951 0.836 303 HA TYR 44 HA TYR 44 3.098 -6.695 2.683 304 HB2 TYR 44 1HB TYR 44 3.153 -8.734 1.440 305 HB3 TYR 44 2HB TYR 44 4.851 -8.969 1.763 306 HD1 TYR 44 2HD TYR 44 2.076 -8.146 4.246 307 HD2 TYR 44 1HD TYR 44 4.951 -11.036 2.808 308 HE1 TYR 44 2HE TYR 44 1.588 -9.617 6.178 309 HE2 TYR 44 1HE TYR 44 4.437 -12.504 4.679 310 HH TYR 44 HH TYR 44 3.107 -12.839 6.509 311 H ASN 45 H ASN 45 3.558 -5.703 4.489 312 HA ASN 45 HA ASN 45 6.237 -5.807 5.763 313 HB2 ASN 45 1HB ASN 45 5.122 -3.641 5.656 314 HB3 ASN 45 2HB ASN 45 3.671 -4.325 6.410 315 HD21 ASN 45 1HD2 ASN 45 3.624 -3.215 8.370 316 HD22 ASN 45 2HD2 ASN 45 4.996 -3.157 9.451 317 H ALA 46 H ALA 46 6.044 -8.203 5.961 318 HA ALA 46 HA ALA 46 4.034 -9.563 7.268 319 HB1 ALA 46 1HB ALA 46 7.032 -10.064 7.568 320 HB2 ALA 46 2HB ALA 46 5.715 -11.254 7.678 321 HB3 ALA 46 3HB ALA 46 6.090 -10.505 6.117 322 H GLN 47 H GLN 47 6.647 -7.715 8.672 323 HA GLN 47 HA GLN 47 6.754 -8.205 11.291 324 HB2 GLN 47 1HB GLN 47 7.516 -6.206 9.497 325 HB3 GLN 47 2HB GLN 47 6.528 -5.300 10.629 326 HG2 GLN 47 1HG GLN 47 7.996 -6.078 12.468 327 HG3 GLN 47 2HG GLN 47 8.956 -6.996 11.281 328 HE21 GLN 47 1HE2 GLN 47 10.429 -5.842 9.917 329 HE22 GLN 47 2HE2 GLN 47 10.592 -4.106 9.895 330 H SER 48 H SER 48 4.444 -5.807 9.926 331 HA SER 48 HA SER 48 2.793 -6.041 12.383 332 HB2 SER 48 1HB SER 48 3.989 -3.852 11.492 333 HB3 SER 48 2HB SER 48 2.601 -3.770 10.407 334 HG SER 48 HG SER 48 2.188 -2.617 12.290 335 H GLN 49 H GLN 49 2.854 -7.593 9.651 336 HA GLN 49 HA GLN 49 1.519 -8.403 8.042 337 HB2 GLN 49 1HB GLN 49 -0.526 -8.334 10.278 338 HB3 GLN 49 2HB GLN 49 -0.535 -9.417 8.875 339 HG2 GLN 49 1HG GLN 49 1.248 -10.713 9.653 340 HG3 GLN 49 2HG GLN 49 1.875 -9.469 10.717 341 HE21 GLN 49 1HE2 GLN 49 1.900 -11.666 11.946 342 HE22 GLN 49 2HE2 GLN 49 0.607 -11.775 13.130 343 H GLN 50 H GLN 50 1.802 -5.784 7.751 344 HA GLN 50 HA GLN 50 -0.799 -4.685 6.806 345 HB2 GLN 50 1HB GLN 50 1.822 -3.258 7.446 346 HB3 GLN 50 2HB GLN 50 0.424 -2.504 6.690 347 HG2 GLN 50 1HG GLN 50 0.689 -3.487 9.529 348 HG3 GLN 50 2HG GLN 50 0.353 -1.864 8.933 349 HE21 GLN 50 1HE2 GLN 50 -0.954 -5.060 9.461 350 HE22 GLN 50 2HE2 GLN 50 -2.556 -4.726 8.875 351 H TYR 51 H TYR 51 -0.764 -3.712 4.748 352 HA TYR 51 HA TYR 51 1.425 -4.623 2.920 353 HB2 TYR 51 1HB TYR 51 -1.548 -4.136 2.458 354 HB3 TYR 51 2HB TYR 51 -0.363 -4.053 1.175 355 HD1 TYR 51 2HD TYR 51 -0.221 -6.653 3.921 356 HD2 TYR 51 1HD TYR 51 -1.327 -5.783 -0.165 357 HE1 TYR 51 2HE TYR 51 -0.534 -9.044 3.503 358 HE2 TYR 51 1HE TYR 51 -1.719 -8.180 -0.552 359 HH TYR 51 HH TYR 51 -1.721 -10.333 0.391 360 H LEU 52 H LEU 52 2.548 -3.152 1.980 361 HA LEU 52 HA LEU 52 1.866 -0.285 2.279 362 HB2 LEU 52 1HB LEU 52 4.623 -1.550 2.283 363 HB3 LEU 52 2HB LEU 52 4.254 0.142 2.552 364 HG LEU 52 HG LEU 52 3.573 -2.176 4.421 365 HD11 LEU 52 1HD1 LEU 52 5.293 -1.239 5.831 366 HD12 LEU 52 2HD1 LEU 52 5.501 0.152 4.735 367 HD13 LEU 52 3HD1 LEU 52 5.943 -1.473 4.193 368 HD21 LEU 52 3HD2 LEU 52 3.086 0.816 4.743 369 HD22 LEU 52 1HD2 LEU 52 3.064 -0.344 6.083 370 HD23 LEU 52 2HD2 LEU 52 1.870 -0.497 4.796 371 H TYR 53 H TYR 53 3.350 0.922 0.560 372 HA TYR 53 HA TYR 53 4.310 -0.813 -1.519 373 HB2 TYR 53 1HB TYR 53 3.313 0.205 -3.377 374 HB3 TYR 53 2HB TYR 53 2.021 -0.248 -2.328 375 HD1 TYR 53 2HD TYR 53 1.085 1.770 -0.723 376 HD2 TYR 53 1HD TYR 53 3.356 2.270 -4.348 377 HE1 TYR 53 2HE TYR 53 0.138 3.994 -0.970 378 HE2 TYR 53 1HE TYR 53 2.506 4.548 -4.576 379 HH TYR 53 HH TYR 53 1.618 6.278 -3.330 380 H TRP 54 H TRP 54 5.918 0.346 -2.793 381 HA TRP 54 HA TRP 54 7.394 2.375 -1.241 382 HB2 TRP 54 1HB TRP 54 8.718 0.577 -2.241 383 HB3 TRP 54 2HB TRP 54 7.856 0.736 -3.772 384 HD1 TRP 54 HD TRP 54 9.489 1.528 -5.492 385 HE1 TRP 54 1HE TRP 54 11.285 3.289 -5.697 386 HE3 TRP 54 3HE TRP 54 9.335 3.288 -0.706 387 HZ2 TRP 54 2HZ TRP 54 12.402 5.433 -3.979 388 HZ3 TRP 54 3HZ TRP 54 10.764 5.150 -0.008 389 HH2 TRP 54 HH TRP 54 12.337 6.222 -1.642 390 H ASP 55 H ASP 55 7.283 4.582 -1.885 391 HA ASP 55 HA ASP 55 6.065 5.027 -4.531 392 HB2 ASP 55 1HB ASP 55 4.507 5.378 -2.453 393 HB3 ASP 55 2HB ASP 55 5.312 6.921 -2.345 394 H GLY 56 H GLY 56 7.691 5.548 -5.600 395 HA2 GLY 56 1HA GLY 56 10.022 6.804 -4.616 396 HA3 GLY 56 2HA GLY 56 9.582 6.562 -6.311 397 H GLU 57 H GLU 57 6.979 8.376 -5.202 398 HA GLU 57 HA GLU 57 8.159 10.806 -6.375 399 HB2 GLU 57 1HB GLU 57 5.860 11.741 -5.656 400 HB3 GLU 57 2HB GLU 57 5.971 10.614 -7.003 401 HG2 GLU 57 1HG GLU 57 4.966 8.857 -5.860 402 HG3 GLU 57 2HG GLU 57 5.264 9.545 -4.267 403 H ARG 58 H ARG 58 6.512 10.081 -3.318 404 HA ARG 58 HA ARG 58 7.765 12.220 -1.852 405 HB2 ARG 58 1HB ARG 58 6.142 9.778 -1.055 406 HB3 ARG 58 2HB ARG 58 6.524 11.107 0.047 407 HG2 ARG 58 1HG ARG 58 5.243 12.677 -1.239 408 HG3 ARG 58 2HG ARG 58 5.038 11.538 -2.589 409 HD2 ARG 58 1HD ARG 58 3.579 10.164 -1.441 410 HD3 ARG 58 2HD ARG 58 3.990 10.830 0.150 411 HE ARG 58 HE ARG 58 2.989 12.963 -1.322 412 HH11 ARG 58 1HH1 ARG 58 1.671 9.704 -0.761 413 HH12 ARG 58 2HH1 ARG 58 0.037 10.254 -0.609 414 HH21 ARG 58 1HH2 ARG 58 0.722 13.551 -1.471 415 HH22 ARG 58 2HH2 ARG 58 -0.471 12.320 -1.164 416 H ARG 59 H ARG 59 8.930 9.196 -2.785 417 HA ARG 59 HA ARG 59 10.450 7.718 -2.096 418 HB2 ARG 59 1HB ARG 59 11.857 10.232 -1.145 419 HB3 ARG 59 2HB ARG 59 12.618 8.642 -1.201 420 HG2 ARG 59 1HG ARG 59 12.319 8.488 -3.608 421 HG3 ARG 59 2HG ARG 59 11.455 10.038 -3.647 422 HD2 ARG 59 1HD ARG 59 13.431 11.238 -2.893 423 HD3 ARG 59 2HD ARG 59 14.290 9.710 -2.597 424 HE ARG 59 HE ARG 59 13.419 10.011 -5.347 425 HH11 ARG 59 1HH1 ARG 59 15.936 11.148 -3.088 426 HH12 ARG 59 2HH1 ARG 59 17.169 11.170 -4.298 427 HH21 ARG 59 1HH2 ARG 59 15.153 10.161 -6.975 428 HH22 ARG 59 2HH2 ARG 59 16.745 10.502 -6.423 429 H THR 60 H THR 60 8.434 7.312 -0.574 430 HA THR 60 HA THR 60 9.768 6.399 1.780 431 HB THR 60 HB THR 60 8.942 8.603 2.554 432 HG1 THR 60 1HG THR 60 7.412 7.075 4.149 433 HG21 THR 60 3HG2 THR 60 6.147 7.440 2.218 434 HG22 THR 60 1HG2 THR 60 6.835 8.771 1.274 435 HG23 THR 60 2HG2 THR 60 6.566 8.980 3.009 436 H TYR 61 H TYR 61 8.351 4.849 2.970 437 HA TYR 61 HA TYR 61 6.683 3.261 1.093 438 HB2 TYR 61 1HB TYR 61 7.929 2.725 3.821 439 HB3 TYR 61 2HB TYR 61 6.564 1.783 3.236 440 HD1 TYR 61 2HD TYR 61 10.041 2.856 2.195 441 HD2 TYR 61 1HD TYR 61 6.856 -0.033 1.767 442 HE1 TYR 61 2HE TYR 61 11.463 1.501 0.716 443 HE2 TYR 61 1HE TYR 61 8.298 -1.420 0.356 444 HH TYR 61 HH TYR 61 10.290 -1.516 -0.835 445 H VAL 62 H VAL 62 4.541 3.222 1.273 446 HA VAL 62 HA VAL 62 3.216 4.665 3.489 447 HB VAL 62 HB VAL 62 1.480 5.043 1.447 448 HG11 VAL 62 1HG1 VAL 62 3.824 6.847 2.123 449 HG12 VAL 62 2HG1 VAL 62 2.326 7.352 1.296 450 HG13 VAL 62 3HG1 VAL 62 2.250 6.775 2.965 451 HG21 VAL 62 3HG2 VAL 62 4.167 5.415 0.057 452 HG22 VAL 62 1HG2 VAL 62 3.076 4.056 -0.237 453 HG23 VAL 62 2HG2 VAL 62 2.545 5.698 -0.600 454 HA PRO 63 HA PRO 63 0.831 0.903 3.563 455 HB2 PRO 63 1HB PRO 63 -1.585 1.739 4.486 456 HB3 PRO 63 2HB PRO 63 -0.120 1.578 5.512 457 HG2 PRO 63 1HG PRO 63 -1.262 4.069 4.246 458 HG3 PRO 63 2HG PRO 63 -0.623 3.849 5.916 459 HD2 PRO 63 1HD PRO 63 0.838 4.960 3.886 460 HD3 PRO 63 2HD PRO 63 1.595 3.990 5.186 461 H ALA 64 H ALA 64 -0.284 -0.197 2.016 462 HA ALA 64 HA ALA 64 -1.332 1.364 -0.287 463 HB1 ALA 64 1HB ALA 64 0.459 -0.281 -0.704 464 HB2 ALA 64 2HB ALA 64 -0.595 -1.580 -0.087 465 HB3 ALA 64 3HB ALA 64 -1.039 -0.662 -1.548 466 H LEU 65 H LEU 65 -2.808 0.885 2.205 467 HA LEU 65 HA LEU 65 -4.667 -1.131 2.135 468 HB2 LEU 65 1HB LEU 65 -5.805 -0.223 3.883 469 HB3 LEU 65 2HB LEU 65 -4.105 0.149 4.051 470 HG LEU 65 HG LEU 65 -5.077 1.990 4.778 471 HD11 LEU 65 1HD1 LEU 65 -4.570 2.603 1.876 472 HD12 LEU 65 2HD1 LEU 65 -3.355 2.468 3.141 473 HD13 LEU 65 3HD1 LEU 65 -4.536 3.802 3.198 474 HD21 LEU 65 3HD2 LEU 65 -7.084 2.164 2.514 475 HD22 LEU 65 1HD2 LEU 65 -6.909 3.302 3.843 476 HD23 LEU 65 2HD2 LEU 65 -7.415 1.624 4.165 477 H GLU 66 H GLU 66 -4.619 1.155 -0.157 478 HA GLU 66 HA GLU 66 -7.391 0.854 -0.993 479 HB2 GLU 66 1HB GLU 66 -6.499 3.177 0.504 480 HB3 GLU 66 2HB GLU 66 -6.751 3.665 -1.176 481 HG2 GLU 66 1HG GLU 66 -9.048 2.549 -1.046 482 HG3 GLU 66 2HG GLU 66 -8.790 2.452 0.710 483 H GLN 67 H GLN 67 -4.795 3.265 -1.772 484 HA GLN 67 HA GLN 67 -3.592 3.654 -3.560 485 HB2 GLN 67 1HB GLN 67 -2.765 1.343 -2.594 486 HB3 GLN 67 2HB GLN 67 -3.254 0.733 -4.165 487 HG2 GLN 67 1HG GLN 67 -1.429 3.162 -3.868 488 HG3 GLN 67 2HG GLN 67 -0.791 1.536 -3.687 489 HE21 GLN 67 1HE2 GLN 67 -0.435 3.784 -5.905 490 HE22 GLN 67 2HE2 GLN 67 -0.841 2.950 -7.363 491 H SER 68 H SER 68 -6.649 2.947 -3.998 492 HA SER 68 HA SER 68 -6.591 3.796 -6.783 493 HB2 SER 68 1HB SER 68 -8.112 1.266 -6.002 494 HB3 SER 68 2HB SER 68 -8.111 2.058 -7.585 495 HG SER 68 HG SER 68 -5.576 1.599 -6.880 496 H ALA 69 H ALA 69 -7.694 5.684 -6.336 497 HA ALA 69 HA ALA 69 -9.889 5.712 -4.325 498 HB1 ALA 69 1HB ALA 69 -9.769 8.142 -4.492 499 HB2 ALA 69 2HB ALA 69 -8.250 7.428 -3.956 500 HB3 ALA 69 3HB ALA 69 -8.426 8.013 -5.635 501 H ASP 70 H ASP 70 -10.988 4.316 -5.841 502 HA ASP 70 HA ASP 70 -12.387 5.783 -8.041 503 HB2 ASP 70 1HB ASP 70 -11.564 2.865 -7.917 504 HB3 ASP 70 2HB ASP 70 -12.531 3.593 -9.201 505 H GLY 71 H GLY 71 -12.981 5.347 -5.081 506 HA2 GLY 71 1HA GLY 71 -15.319 3.498 -5.237 507 HA3 GLY 71 2HA GLY 71 -14.281 3.720 -3.844 508 H HIS 72 H HIS 72 -14.476 6.835 -4.411 509 HA HIS 72 HA HIS 72 -15.660 8.542 -3.590 510 HB2 HIS 72 1HB HIS 72 -17.960 7.120 -4.973 511 HB3 HIS 72 2HB HIS 72 -17.897 8.825 -4.552 512 HD1 HIS 72 1HD HIS 72 -16.293 6.388 -7.094 513 HD2 HIS 72 2HD HIS 72 -16.659 10.486 -6.157 514 HE1 HIS 72 1HE HIS 72 -15.402 7.664 -9.106 515 H LYS 73 H LYS 73 -15.326 6.775 -1.446 516 HA LYS 73 HA LYS 73 -17.732 7.298 0.160 517 HB2 LYS 73 1HB LYS 73 -16.639 4.493 -0.299 518 HB3 LYS 73 2HB LYS 73 -17.711 4.890 1.047 519 HG2 LYS 73 1HG LYS 73 -19.512 5.550 -0.477 520 HG3 LYS 73 2HG LYS 73 -18.465 5.227 -1.869 521 HD2 LYS 73 1HD LYS 73 -18.170 2.865 -0.946 522 HD3 LYS 73 2HD LYS 73 -19.548 3.217 0.117 523 HE2 LYS 73 1HE LYS 73 -21.066 3.205 -1.614 524 HE3 LYS 73 2HE LYS 73 -19.937 3.951 -2.745 525 HZ1 LYS 73 3HZ LYS 73 -20.447 1.670 -3.320 526 HZ2 LYS 73 1HZ LYS 73 -19.763 1.110 -1.925 527 HZ3 LYS 73 2HZ LYS 73 -18.835 1.877 -3.029 528 H GLU 74 H GLU 74 -16.930 5.855 2.443 529 HA GLU 74 HA GLU 74 -14.502 7.215 3.387 530 HB2 GLU 74 1HB GLU 74 -16.703 5.405 4.478 531 HB3 GLU 74 2HB GLU 74 -15.155 5.386 5.301 532 HG2 GLU 74 1HG GLU 74 -16.749 7.921 4.780 533 HG3 GLU 74 2HG GLU 74 -16.765 6.998 6.287 534 H THR 75 H THR 75 -12.774 5.980 4.311 535 HA THR 75 HA THR 75 -11.481 4.088 2.818 536 HB THR 75 HB THR 75 -11.393 4.124 5.845 537 HG1 THR 75 1HG THR 75 -10.452 6.246 4.210 538 HG21 THR 75 3HG2 THR 75 -9.742 2.796 4.580 539 HG22 THR 75 1HG2 THR 75 -8.964 4.140 5.450 540 HG23 THR 75 2HG2 THR 75 -9.244 4.257 3.699 541 H GLY 76 H GLY 76 -13.835 3.696 5.429 542 HA2 GLY 76 1HA GLY 76 -14.372 0.888 4.641 543 HA3 GLY 76 2HA GLY 76 -13.985 1.249 6.330 544 H ALA 77 H ALA 77 -15.556 1.932 7.596 545 HA ALA 77 HA ALA 77 -17.575 2.159 8.464 546 HB1 ALA 77 1HB ALA 77 -19.128 3.828 7.535 547 HB2 ALA 77 2HB ALA 77 -17.462 4.422 7.456 548 HB3 ALA 77 3HB ALA 77 -18.263 3.810 5.997 549 HA PRO 78 HA PRO 78 -20.290 -0.931 6.616 550 HB2 PRO 78 1HB PRO 78 -22.709 -0.402 7.807 551 HB3 PRO 78 2HB PRO 78 -21.327 -1.128 8.669 552 HG2 PRO 78 1HG PRO 78 -22.129 1.802 8.618 553 HG3 PRO 78 2HG PRO 78 -21.775 0.775 10.046 554 HD2 PRO 78 1HD PRO 78 -19.919 2.403 8.936 555 HD3 PRO 78 2HD PRO 78 -19.458 0.794 9.568 556 H SER 79 H SER 79 -22.522 -1.004 5.324 557 HA SER 79 HA SER 79 -23.507 1.460 4.294 558 HB2 SER 79 1HB SER 79 -22.839 1.136 1.894 559 HB3 SER 79 2HB SER 79 -21.514 1.545 2.950 560 HG SER 79 HG SER 79 -21.824 -1.179 2.760 561 H LYS 80 H LYS 80 -24.888 0.925 2.142 562 HA LYS 80 HA LYS 80 -26.618 -0.058 1.166 563 HB2 LYS 80 1HB LYS 80 -24.865 -2.468 1.696 564 HB3 LYS 80 2HB LYS 80 -26.086 -2.360 0.424 565 HG2 LYS 80 1HG LYS 80 -24.851 -0.697 -0.796 566 HG3 LYS 80 2HG LYS 80 -23.745 -0.431 0.546 567 HD2 LYS 80 1HD LYS 80 -23.208 -3.004 0.250 568 HD3 LYS 80 2HD LYS 80 -23.804 -2.722 -1.394 569 HE2 LYS 80 1HE LYS 80 -22.171 -0.858 -1.645 570 HE3 LYS 80 2HE LYS 80 -21.646 -1.076 0.027 571 HZ1 LYS 80 3HZ LYS 80 -21.225 -2.961 -2.196 572 HZ2 LYS 80 1HZ LYS 80 -20.847 -3.302 -0.615 573 HZ3 LYS 80 2HZ LYS 80 -20.101 -2.089 -1.403 574 H GLU 81 H GLU 81 -26.746 -0.066 4.175 575 HA GLU 81 HA GLU 81 -28.984 -2.001 4.616 576 HB2 GLU 81 1HB GLU 81 -26.684 -2.866 5.172 577 HB3 GLU 81 2HB GLU 81 -26.523 -1.568 6.342 578 HG2 GLU 81 1HG GLU 81 -28.369 -2.612 7.690 579 HG3 GLU 81 2HG GLU 81 -28.540 -3.854 6.435 580 H GLY 82 H GLY 82 -28.794 1.048 4.229 581 HA2 GLY 82 1HA GLY 82 -29.705 2.949 5.231 582 HA3 GLY 82 2HA GLY 82 -30.220 1.972 6.610 583 H LYS 83 H LYS 83 -26.911 1.869 5.533 584 HA LYS 83 HA LYS 83 -25.951 3.069 8.111 585 HB2 LYS 83 1HB LYS 83 -24.979 0.601 6.599 586 HB3 LYS 83 2HB LYS 83 -24.187 1.295 7.998 587 HG2 LYS 83 1HG LYS 83 -27.024 0.261 8.183 588 HG3 LYS 83 2HG LYS 83 -25.612 -0.789 8.297 589 HD2 LYS 83 1HD LYS 83 -24.761 0.531 10.222 590 HD3 LYS 83 2HD LYS 83 -26.200 1.553 10.121 591 HE2 LYS 83 1HE LYS 83 -26.556 -0.097 11.844 592 HE3 LYS 83 2HE LYS 83 -27.640 -0.463 10.501 593 HZ1 LYS 83 3HZ LYS 83 -26.165 -2.265 9.853 594 HZ2 LYS 83 1HZ LYS 83 -26.446 -2.397 11.485 595 HZ3 LYS 83 2HZ LYS 83 -25.039 -1.802 10.944 596 H GLU 84 H GLU 84 -25.947 3.371 4.807 597 HA GLU 84 HA GLU 84 -23.092 3.819 4.299 598 HB2 GLU 84 1HB GLU 84 -23.924 4.214 2.003 599 HB3 GLU 84 2HB GLU 84 -24.506 2.669 2.627 600 HG2 GLU 84 1HG GLU 84 -26.711 3.635 3.088 601 HG3 GLU 84 2HG GLU 84 -26.149 5.222 2.556 602 H LYS 85 H LYS 85 -22.665 5.894 3.065 603 HA LYS 85 HA LYS 85 -23.339 8.241 4.541 604 HB2 LYS 85 1HB LYS 85 -22.079 9.401 2.826 605 HB3 LYS 85 2HB LYS 85 -21.214 7.975 3.350 606 HG2 LYS 85 1HG LYS 85 -21.393 6.908 1.320 607 HG3 LYS 85 2HG LYS 85 -22.997 7.530 0.993 608 HD2 LYS 85 1HD LYS 85 -20.391 9.049 0.614 609 HD3 LYS 85 2HD LYS 85 -21.417 8.342 -0.646 610 HE2 LYS 85 1HE LYS 85 -23.305 9.874 0.254 611 HE3 LYS 85 2HE LYS 85 -22.037 10.683 1.190 612 HZ1 LYS 85 3HZ LYS 85 -22.075 11.935 -0.688 613 HZ2 LYS 85 1HZ LYS 85 -22.503 10.732 -1.682 614 HZ3 LYS 85 2HZ LYS 85 -20.943 10.817 -1.173 615 H LYS 86 H LYS 86 -25.840 7.000 3.610 616 HA LYS 86 HA LYS 86 -27.684 7.268 2.276 617 HB2 LYS 86 1HB LYS 86 -28.747 9.481 2.452 618 HB3 LYS 86 2HB LYS 86 -28.164 8.855 3.985 619 HG2 LYS 86 1HG LYS 86 -26.283 10.381 3.998 620 HG3 LYS 86 2HG LYS 86 -26.646 10.912 2.343 621 HD2 LYS 86 1HD LYS 86 -28.698 11.971 3.074 622 HD3 LYS 86 2HD LYS 86 -28.432 11.422 4.749 623 HE2 LYS 86 1HE LYS 86 -26.610 12.856 5.094 624 HE3 LYS 86 2HE LYS 86 -26.189 12.889 3.379 625 HZ1 LYS 86 3HZ LYS 86 -28.050 14.298 2.955 626 HZ2 LYS 86 1HZ LYS 86 -27.022 14.987 4.018 627 HZ3 LYS 86 2HZ LYS 86 -28.446 14.362 4.567 628 H GLU 87 H GLU 87 -25.686 6.748 0.534 629 HA GLU 87 HA GLU 87 -25.447 8.805 -1.534 630 HB2 GLU 87 1HB GLU 87 -23.618 7.212 -1.110 631 HB3 GLU 87 2HB GLU 87 -24.690 5.854 -1.462 632 HG2 GLU 87 1HG GLU 87 -24.922 6.623 -3.795 633 HG3 GLU 87 2HG GLU 87 -23.886 8.010 -3.435 634 H LYS 88 H LYS 88 -27.293 5.776 -0.888 635 HA LYS 88 HA LYS 88 -29.354 6.709 -2.796 636 HB2 LYS 88 1HB LYS 88 -29.528 4.533 -3.855 637 HB3 LYS 88 2HB LYS 88 -27.891 5.160 -4.026 638 HG2 LYS 88 1HG LYS 88 -27.198 3.679 -2.069 639 HG3 LYS 88 2HG LYS 88 -28.828 3.000 -2.084 640 HD2 LYS 88 1HD LYS 88 -27.359 1.517 -3.259 641 HD3 LYS 88 2HD LYS 88 -28.447 2.237 -4.445 642 HE2 LYS 88 1HE LYS 88 -25.979 3.829 -4.058 643 HE3 LYS 88 2HE LYS 88 -25.607 2.155 -4.463 644 HZ1 LYS 88 3HZ LYS 88 -27.306 3.929 -6.128 645 HZ2 LYS 88 1HZ LYS 88 -26.971 2.351 -6.430 646 HZ3 LYS 88 2HZ LYS 88 -25.771 3.425 -6.450 647 H HIS 89 H HIS 89 -31.297 5.068 -2.568 648 HA HIS 89 HA HIS 89 -31.680 4.154 0.216 649 HB2 HIS 89 1HB HIS 89 -32.960 6.226 0.070 650 HB3 HIS 89 2HB HIS 89 -33.615 5.772 -1.507 651 HD1 HIS 89 1HD HIS 89 -35.459 3.738 -1.504 652 HD2 HIS 89 2HD HIS 89 -34.160 5.187 2.241 653 HE1 HIS 89 1HE HIS 89 -37.066 2.790 0.263 654 H LYS 90 H LYS 90 -31.863 1.953 -0.035 655 HA LYS 90 HA LYS 90 -33.509 0.836 -2.153 656 HB2 LYS 90 1HB LYS 90 -31.253 1.296 -3.241 657 HB3 LYS 90 2HB LYS 90 -30.546 0.103 -2.149 658 HG2 LYS 90 1HG LYS 90 -31.950 -1.661 -3.113 659 HG3 LYS 90 2HG LYS 90 -32.883 -0.472 -4.045 660 HD2 LYS 90 1HD LYS 90 -30.946 0.122 -5.373 661 HD3 LYS 90 2HD LYS 90 -29.888 -0.877 -4.350 662 HE2 LYS 90 1HE LYS 90 -31.044 -2.910 -5.047 663 HE3 LYS 90 2HE LYS 90 -32.183 -1.972 -6.037 664 HZ1 LYS 90 3HZ LYS 90 -29.256 -1.953 -6.441 665 HZ2 LYS 90 1HZ LYS 90 -30.378 -1.306 -7.460 666 HZ3 LYS 90 2HZ LYS 90 -30.222 -2.937 -7.273 667 H THR 91 H THR 91 -34.113 0.840 0.386 668 HA THR 91 HA THR 91 -33.451 -1.790 1.543 669 HB THR 91 HB THR 91 -33.121 -0.357 3.716 670 HG1 THR 91 1HG THR 91 -33.642 1.619 2.846 671 HG21 THR 91 3HG2 THR 91 -30.896 -0.263 1.630 672 HG22 THR 91 1HG2 THR 91 -31.302 -1.678 2.626 673 HG23 THR 91 2HG2 THR 91 -30.731 -0.188 3.391 674 H LYS 92 H LYS 92 -35.638 -2.470 1.179 675 HA LYS 92 HA LYS 92 -37.406 -1.599 3.176 676 HB2 LYS 92 1HB LYS 92 -37.992 -0.247 0.940 677 HB3 LYS 92 2HB LYS 92 -38.523 -1.819 0.351 678 HG2 LYS 92 1HG LYS 92 -39.662 -0.147 2.626 679 HG3 LYS 92 2HG LYS 92 -40.468 -0.692 1.147 680 HD2 LYS 92 1HD LYS 92 -40.159 -3.070 1.994 681 HD3 LYS 92 2HD LYS 92 -39.610 -2.342 3.530 682 HE2 LYS 92 1HE LYS 92 -41.810 -1.302 3.825 683 HE3 LYS 92 2HE LYS 92 -42.376 -2.127 2.349 684 HZ1 LYS 92 3HZ LYS 92 -41.742 -4.225 3.387 685 HZ2 LYS 92 1HZ LYS 92 -42.846 -3.447 4.348 686 HZ3 LYS 92 2HZ LYS 92 -41.236 -3.465 4.728 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -1.616 15.816 -7.539 2 HA2 GLY 1 1HA GLY 1 0.067 16.993 -5.420 3 HA3 GLY 1 2HA GLY 1 0.509 15.552 -6.344 4 H HIS 2 H HIS 2 1.683 15.830 -8.113 5 HA HIS 2 HA HIS 2 3.027 16.681 -9.621 6 HB2 HIS 2 1HB HIS 2 1.259 19.102 -9.959 7 HB3 HIS 2 2HB HIS 2 2.431 18.447 -11.084 8 HD1 HIS 2 1HD HIS 2 1.722 15.925 -12.117 9 HD2 HIS 2 2HD HIS 2 -1.215 18.158 -10.084 10 HE1 HIS 2 1HE HIS 2 -0.522 14.809 -12.631 11 H MET 3 H MET 3 4.359 16.717 -7.625 12 HA MET 3 HA MET 3 5.652 19.347 -7.453 13 HB2 MET 3 1HB MET 3 4.909 17.569 -5.092 14 HB3 MET 3 2HB MET 3 6.304 18.645 -5.040 15 HG2 MET 3 1HG MET 3 4.928 20.604 -5.363 16 HG3 MET 3 2HG MET 3 3.491 19.613 -5.616 17 HE1 MET 3 3HE MET 3 2.676 21.185 -2.119 18 HE2 MET 3 1HE MET 3 3.548 22.011 -3.423 19 HE3 MET 3 2HE MET 3 2.154 20.983 -3.802 20 H GLN 4 H GLN 4 7.936 19.065 -7.113 21 HA GLN 4 HA GLN 4 9.205 16.566 -6.716 22 HB2 GLN 4 1HB GLN 4 8.534 16.471 -9.228 23 HB3 GLN 4 2HB GLN 4 9.601 17.848 -9.474 24 HG2 GLN 4 1HG GLN 4 10.776 15.829 -10.072 25 HG3 GLN 4 2HG GLN 4 11.505 16.469 -8.603 26 HE21 GLN 4 1HE2 GLN 4 9.048 14.091 -9.759 27 HE22 GLN 4 2HE2 GLN 4 9.242 12.966 -8.445 28 H GLU 5 H GLU 5 11.049 17.304 -5.545 29 HA GLU 5 HA GLU 5 12.268 19.852 -6.258 30 HB2 GLU 5 1HB GLU 5 12.044 20.618 -3.803 31 HB3 GLU 5 2HB GLU 5 10.796 20.968 -5.010 32 HG2 GLU 5 1HG GLU 5 9.428 19.153 -4.228 33 HG3 GLU 5 2HG GLU 5 10.690 18.633 -3.095 34 H SER 6 H SER 6 12.378 18.294 -3.104 35 HA SER 6 HA SER 6 14.662 16.582 -3.736 36 HB2 SER 6 1HB SER 6 14.971 19.104 -2.043 37 HB3 SER 6 2HB SER 6 16.177 17.798 -2.082 38 HG SER 6 HG SER 6 15.329 19.102 -4.439 39 H TYR 7 H TYR 7 11.914 16.607 -2.295 40 HA TYR 7 HA TYR 7 12.719 15.868 0.485 41 HB2 TYR 7 1HB TYR 7 11.091 17.520 0.507 42 HB3 TYR 7 2HB TYR 7 10.159 16.768 -0.787 43 HD1 TYR 7 2HD TYR 7 11.349 15.932 2.713 44 HD2 TYR 7 1HD TYR 7 8.242 15.655 -0.230 45 HE1 TYR 7 2HE TYR 7 9.819 15.010 4.437 46 HE2 TYR 7 1HE TYR 7 6.688 14.710 1.477 47 HH TYR 7 HH TYR 7 6.672 15.063 4.216 48 H SER 8 H SER 8 13.221 13.869 0.602 49 HA SER 8 HA SER 8 11.486 11.744 -0.323 50 HB2 SER 8 1HB SER 8 12.686 12.477 -2.412 51 HB3 SER 8 2HB SER 8 14.219 12.179 -1.625 52 HG SER 8 HG SER 8 13.372 9.872 -1.485 53 H GLN 9 H GLN 9 11.666 11.520 2.052 54 HA GLN 9 HA GLN 9 14.103 10.806 3.329 55 HB2 GLN 9 1HB GLN 9 12.700 10.150 5.223 56 HB3 GLN 9 2HB GLN 9 12.349 11.766 4.632 57 HG2 GLN 9 1HG GLN 9 10.650 9.483 3.625 58 HG3 GLN 9 2HG GLN 9 10.444 10.031 5.286 59 HE21 GLN 9 1HE2 GLN 9 8.352 10.887 4.914 60 HE22 GLN 9 2HE2 GLN 9 8.139 12.329 3.875 61 H TYR 10 H TYR 10 12.072 8.876 1.291 62 HA TYR 10 HA TYR 10 13.944 6.649 1.882 63 HB2 TYR 10 1HB TYR 10 10.980 6.510 1.288 64 HB3 TYR 10 2HB TYR 10 12.025 5.178 0.886 65 HD1 TYR 10 1HD TYR 10 10.617 7.144 3.683 66 HD2 TYR 10 2HD TYR 10 13.051 3.754 2.599 67 HE1 TYR 10 1HE TYR 10 10.449 6.304 5.996 68 HE2 TYR 10 2HE TYR 10 12.947 2.924 4.914 69 HH TYR 10 HH TYR 10 11.038 4.617 7.439 70 HA PRO 11 HA PRO 11 14.683 6.910 -2.589 71 HB2 PRO 11 1HB PRO 11 15.274 4.279 -3.209 72 HB3 PRO 11 2HB PRO 11 16.383 5.333 -2.269 73 HG2 PRO 11 1HG PRO 11 14.348 3.332 -1.235 74 HG3 PRO 11 2HG PRO 11 16.082 3.498 -0.790 75 HD2 PRO 11 1HD PRO 11 14.128 4.570 0.724 76 HD3 PRO 11 2HD PRO 11 15.677 5.422 0.490 77 H VAL 12 H VAL 12 13.959 5.394 -4.624 78 HA VAL 12 HA VAL 12 11.025 5.132 -4.452 79 HB VAL 12 HB VAL 12 12.724 5.680 -6.890 80 HG11 VAL 12 1HG1 VAL 12 10.539 6.175 -7.949 81 HG12 VAL 12 2HG1 VAL 12 10.612 4.494 -7.423 82 HG13 VAL 12 3HG1 VAL 12 9.694 5.683 -6.462 83 HG21 VAL 12 3HG2 VAL 12 10.964 7.500 -5.175 84 HG22 VAL 12 1HG2 VAL 12 12.725 7.628 -5.378 85 HG23 VAL 12 2HG2 VAL 12 11.661 7.946 -6.749 86 HA PRO 13 HA PRO 13 12.265 0.692 -5.019 87 HB2 PRO 13 1HB PRO 13 10.348 -0.455 -3.553 88 HB3 PRO 13 2HB PRO 13 11.664 0.465 -2.743 89 HG2 PRO 13 1HG PRO 13 8.897 1.527 -3.510 90 HG3 PRO 13 2HG PRO 13 9.640 1.528 -1.888 91 HD2 PRO 13 1HD PRO 13 9.867 3.664 -3.518 92 HD3 PRO 13 2HD PRO 13 11.229 3.147 -2.476 93 H ASP 14 H ASP 14 10.715 -1.150 -6.000 94 HA ASP 14 HA ASP 14 8.203 -0.267 -7.104 95 HB2 ASP 14 1HB ASP 14 9.943 0.568 -8.795 96 HB3 ASP 14 2HB ASP 14 10.355 -1.117 -9.095 97 H VAL 15 H VAL 15 6.869 -2.064 -7.139 98 HA VAL 15 HA VAL 15 7.665 -4.549 -6.212 99 HB VAL 15 HB VAL 15 5.382 -3.716 -6.149 100 HG11 VAL 15 1HG1 VAL 15 3.879 -3.761 -8.074 101 HG12 VAL 15 2HG1 VAL 15 5.225 -2.667 -8.383 102 HG13 VAL 15 3HG1 VAL 15 5.203 -4.273 -9.142 103 HG21 VAL 15 3HG2 VAL 15 4.139 -5.745 -6.717 104 HG22 VAL 15 1HG2 VAL 15 5.523 -6.386 -7.600 105 HG23 VAL 15 2HG2 VAL 15 5.631 -6.095 -5.848 106 H SER 16 H SER 16 8.011 -3.398 -9.472 107 HA SER 16 HA SER 16 8.066 -5.877 -10.845 108 HB2 SER 16 1HB SER 16 9.649 -3.367 -11.483 109 HB3 SER 16 2HB SER 16 9.149 -4.642 -12.616 110 HG SER 16 HG SER 16 7.638 -2.695 -11.261 111 H THR 17 H THR 17 10.356 -4.651 -8.527 112 HA THR 17 HA THR 17 12.249 -6.788 -9.361 113 HB THR 17 HB THR 17 13.031 -4.494 -9.838 114 HG1 THR 17 1HG THR 17 14.438 -6.078 -7.992 115 HG21 THR 17 3HG2 THR 17 12.219 -3.163 -8.000 116 HG22 THR 17 1HG2 THR 17 13.979 -3.137 -7.990 117 HG23 THR 17 2HG2 THR 17 13.111 -4.148 -6.815 118 H TYR 18 H TYR 18 9.818 -6.499 -7.238 119 HA TYR 18 HA TYR 18 11.190 -7.387 -4.814 120 HB2 TYR 18 1HB TYR 18 8.290 -7.478 -5.710 121 HB3 TYR 18 2HB TYR 18 8.856 -8.067 -4.172 122 HD1 TYR 18 1HD TYR 18 10.964 -5.368 -4.408 123 HD2 TYR 18 2HD TYR 18 6.757 -6.229 -3.971 124 HE1 TYR 18 1HE TYR 18 10.581 -3.079 -3.738 125 HE2 TYR 18 2HE TYR 18 6.334 -3.899 -3.362 126 HH TYR 18 HH TYR 18 7.301 -1.730 -3.095 127 H GLN 19 H GLN 19 10.980 -9.488 -4.036 128 HA GLN 19 HA GLN 19 11.155 -11.620 -6.138 129 HB2 GLN 19 1HB GLN 19 11.911 -11.526 -3.202 130 HB3 GLN 19 2HB GLN 19 11.794 -13.044 -4.100 131 HG2 GLN 19 1HG GLN 19 13.481 -12.359 -5.682 132 HG3 GLN 19 2HG GLN 19 13.521 -10.718 -5.008 133 HE21 GLN 19 1HE2 GLN 19 14.875 -10.314 -3.285 134 HE22 GLN 19 2HE2 GLN 19 15.557 -11.580 -2.243 135 H TYR 20 H TYR 20 9.222 -12.590 -6.636 136 HA TYR 20 HA TYR 20 6.969 -12.618 -4.803 137 HB2 TYR 20 1HB TYR 20 6.700 -12.747 -7.231 138 HB3 TYR 20 2HB TYR 20 7.616 -14.251 -7.279 139 HD1 TYR 20 2HD TYR 20 4.590 -12.698 -5.687 140 HD2 TYR 20 1HD TYR 20 6.512 -16.345 -6.943 141 HE1 TYR 20 2HE TYR 20 2.427 -13.925 -5.445 142 HE2 TYR 20 1HE TYR 20 4.417 -17.575 -6.639 143 HH TYR 20 HH TYR 20 1.392 -16.044 -6.531 144 H ASP 21 H ASP 21 6.256 -14.335 -3.498 145 HA ASP 21 HA ASP 21 8.070 -16.595 -3.009 146 HB2 ASP 21 1HB ASP 21 7.985 -16.050 -0.853 147 HB3 ASP 21 2HB ASP 21 7.387 -14.485 -1.290 148 H GLU 22 H GLU 22 7.194 -18.342 -3.923 149 HA GLU 22 HA GLU 22 4.315 -18.490 -4.443 150 HB2 GLU 22 1HB GLU 22 5.097 -20.875 -5.130 151 HB3 GLU 22 2HB GLU 22 5.380 -19.479 -6.168 152 HG2 GLU 22 1HG GLU 22 7.640 -19.500 -5.885 153 HG3 GLU 22 2HG GLU 22 7.577 -20.323 -4.321 154 H THR 23 H THR 23 6.339 -19.382 -1.902 155 HA THR 23 HA THR 23 4.907 -21.655 -0.923 156 HB THR 23 HB THR 23 7.126 -21.468 -0.330 157 HG1 THR 23 1HG THR 23 5.893 -20.787 2.109 158 HG21 THR 23 3HG2 THR 23 6.720 -18.913 1.222 159 HG22 THR 23 1HG2 THR 23 7.485 -19.004 -0.382 160 HG23 THR 23 2HG2 THR 23 8.222 -19.819 0.992 161 H SER 24 H SER 24 4.411 -18.151 -0.336 162 HA SER 24 HA SER 24 1.737 -18.903 0.793 163 HB2 SER 24 1HB SER 24 3.456 -16.508 1.509 164 HB3 SER 24 2HB SER 24 1.813 -16.815 2.077 165 HG SER 24 HG SER 24 2.428 -18.317 3.359 166 H GLY 25 H GLY 25 3.531 -16.774 -1.539 167 HA2 GLY 25 1HA GLY 25 2.443 -16.299 -3.529 168 HA3 GLY 25 2HA GLY 25 0.879 -16.239 -2.736 169 H TYR 26 H TYR 26 3.824 -14.507 -1.434 170 HA TYR 26 HA TYR 26 2.448 -11.931 -2.095 171 HB2 TYR 26 1HB TYR 26 3.727 -12.921 0.446 172 HB3 TYR 26 2HB TYR 26 3.946 -11.249 0.006 173 HD1 TYR 26 1HD TYR 26 0.762 -13.196 -0.571 174 HD2 TYR 26 2HD TYR 26 2.790 -10.151 1.724 175 HE1 TYR 26 1HE TYR 26 -1.355 -12.601 0.488 176 HE2 TYR 26 2HE TYR 26 0.696 -9.603 2.862 177 HH TYR 26 HH TYR 26 -2.399 -11.184 1.961 178 H TYR 27 H TYR 27 4.331 -10.152 -1.783 179 HA TYR 27 HA TYR 27 6.652 -11.043 -3.444 180 HB2 TYR 27 1HB TYR 27 5.015 -8.508 -3.527 181 HB3 TYR 27 2HB TYR 27 6.617 -8.613 -4.207 182 HD1 TYR 27 2HD TYR 27 3.113 -9.852 -4.582 183 HD2 TYR 27 1HD TYR 27 7.099 -9.724 -6.264 184 HE1 TYR 27 2HE TYR 27 2.227 -10.558 -6.787 185 HE2 TYR 27 1HE TYR 27 6.213 -10.437 -8.446 186 HH TYR 27 HH TYR 27 2.706 -10.789 -9.102 187 H TYR 28 H TYR 28 8.546 -10.727 -2.319 188 HA TYR 28 HA TYR 28 8.581 -9.195 0.197 189 HB2 TYR 28 1HB TYR 28 9.468 -11.393 0.325 190 HB3 TYR 28 2HB TYR 28 10.361 -11.215 -1.175 191 HD1 TYR 28 2HD TYR 28 10.132 -9.365 2.106 192 HD2 TYR 28 1HD TYR 28 12.620 -10.955 -1.025 193 HE1 TYR 28 2HE TYR 28 12.165 -8.677 3.378 194 HE2 TYR 28 1HE TYR 28 14.619 -10.155 0.115 195 HH TYR 28 HH TYR 28 14.668 -8.352 3.147 196 H ASP 29 H ASP 29 9.709 -7.345 0.493 197 HA ASP 29 HA ASP 29 11.011 -5.997 -1.783 198 HB2 ASP 29 1HB ASP 29 9.235 -4.674 -1.009 199 HB3 ASP 29 2HB ASP 29 9.728 -4.842 0.689 200 HA PRO 30 HA PRO 30 14.635 -6.804 0.994 201 HB2 PRO 30 1HB PRO 30 16.525 -6.775 -1.000 202 HB3 PRO 30 2HB PRO 30 15.611 -8.211 -0.471 203 HG2 PRO 30 1HG PRO 30 15.111 -6.469 -2.875 204 HG3 PRO 30 2HG PRO 30 15.038 -8.257 -2.741 205 HD2 PRO 30 1HD PRO 30 12.837 -6.588 -2.655 206 HD3 PRO 30 2HD PRO 30 12.880 -8.172 -1.835 207 H GLN 31 H GLN 31 13.548 -4.200 -0.952 208 HA GLN 31 HA GLN 31 15.899 -2.545 -0.737 209 HB2 GLN 31 1HB GLN 31 13.774 -2.283 -2.287 210 HB3 GLN 31 2HB GLN 31 13.139 -1.336 -0.936 211 HG2 GLN 31 1HG GLN 31 15.702 -0.865 -2.525 212 HG3 GLN 31 2HG GLN 31 14.206 0.054 -2.667 213 HE21 GLN 31 1HE2 GLN 31 17.171 0.696 -1.716 214 HE22 GLN 31 2HE2 GLN 31 16.819 1.644 -0.272 215 H THR 32 H THR 32 12.796 -2.688 1.127 216 HA THR 32 HA THR 32 14.216 -1.438 3.432 217 HB THR 32 HB THR 32 11.985 -1.269 4.424 218 HG1 THR 32 1HG THR 32 11.015 -2.212 1.891 219 HG21 THR 32 3HG2 THR 32 11.108 0.466 2.984 220 HG22 THR 32 1HG2 THR 32 12.140 -0.058 1.634 221 HG23 THR 32 2HG2 THR 32 12.855 0.614 3.119 222 H GLY 33 H GLY 33 12.304 -4.377 2.635 223 HA2 GLY 33 1HA GLY 33 12.977 -6.483 3.779 224 HA3 GLY 33 2HA GLY 33 12.968 -5.558 5.291 225 H LEU 34 H LEU 34 10.508 -4.425 3.171 226 HA LEU 34 HA LEU 34 8.354 -5.518 4.818 227 HB2 LEU 34 1HB LEU 34 8.439 -3.770 2.318 228 HB3 LEU 34 2HB LEU 34 6.948 -4.210 3.140 229 HG LEU 34 HG LEU 34 9.180 -2.690 4.544 230 HD11 LEU 34 1HD1 LEU 34 6.683 -1.614 3.165 231 HD12 LEU 34 2HD1 LEU 34 8.363 -1.394 2.630 232 HD13 LEU 34 3HD1 LEU 34 7.826 -0.668 4.150 233 HD21 LEU 34 3HD2 LEU 34 7.399 -2.081 6.114 234 HD22 LEU 34 1HD2 LEU 34 7.695 -3.814 6.045 235 HD23 LEU 34 2HD2 LEU 34 6.259 -3.140 5.237 236 H TYR 35 H TYR 35 6.385 -6.318 3.555 237 HA TYR 35 HA TYR 35 7.052 -7.919 1.171 238 HB2 TYR 35 1HB TYR 35 5.309 -8.687 3.520 239 HB3 TYR 35 2HB TYR 35 4.985 -9.316 1.923 240 HD1 TYR 35 2HD TYR 35 7.817 -9.017 4.369 241 HD2 TYR 35 1HD TYR 35 5.978 -11.306 1.212 242 HE1 TYR 35 2HE TYR 35 9.485 -10.797 4.708 243 HE2 TYR 35 1HE TYR 35 7.609 -13.104 1.538 244 HH TYR 35 HH TYR 35 10.351 -12.890 3.811 245 H TYR 36 H TYR 36 4.949 -8.117 -0.157 246 HA TYR 36 HA TYR 36 2.987 -5.873 -0.038 247 HB2 TYR 36 1HB TYR 36 4.809 -5.103 -1.386 248 HB3 TYR 36 2HB TYR 36 4.959 -6.644 -2.205 249 HD1 TYR 36 2HD TYR 36 3.287 -7.363 -3.917 250 HD2 TYR 36 1HD TYR 36 3.157 -3.490 -2.072 251 HE1 TYR 36 2HE TYR 36 1.931 -6.566 -5.787 252 HE2 TYR 36 1HE TYR 36 1.846 -2.617 -4.024 253 HH TYR 36 HH TYR 36 1.168 -4.679 -6.877 254 H ASP 37 H ASP 37 1.049 -6.428 -1.327 255 HA ASP 37 HA ASP 37 0.686 -9.335 -1.930 256 HB2 ASP 37 1HB ASP 37 -0.425 -8.643 0.126 257 HB3 ASP 37 2HB ASP 37 -1.086 -7.225 -0.722 258 HA PRO 38 HA PRO 38 -0.110 -7.472 -5.814 259 HB2 PRO 38 1HB PRO 38 -1.390 -9.495 -7.237 260 HB3 PRO 38 2HB PRO 38 0.345 -9.499 -6.823 261 HG2 PRO 38 1HG PRO 38 -1.952 -10.737 -5.247 262 HG3 PRO 38 2HG PRO 38 -0.442 -11.559 -5.782 263 HD2 PRO 38 1HD PRO 38 -0.593 -10.600 -3.297 264 HD3 PRO 38 2HD PRO 38 0.871 -10.269 -4.249 265 H ASN 39 H ASN 39 -3.048 -8.733 -4.169 266 HA ASN 39 HA ASN 39 -4.805 -7.174 -6.001 267 HB2 ASN 39 1HB ASN 39 -5.264 -9.006 -3.716 268 HB3 ASN 39 2HB ASN 39 -6.264 -7.594 -3.711 269 HD21 ASN 39 1HD2 ASN 39 -5.131 -10.044 -6.026 270 HD22 ASN 39 2HD2 ASN 39 -6.722 -10.221 -6.787 271 H SER 40 H SER 40 -3.025 -6.926 -2.990 272 HA SER 40 HA SER 40 -4.422 -4.370 -2.325 273 HB2 SER 40 1HB SER 40 -3.558 -6.686 -0.553 274 HB3 SER 40 2HB SER 40 -4.277 -5.174 0.015 275 HG SER 40 HG SER 40 -5.477 -7.379 -1.106 276 H GLN 41 H GLN 41 -2.812 -3.045 -3.103 277 HA GLN 41 HA GLN 41 -0.069 -3.057 -2.764 278 HB2 GLN 41 1HB GLN 41 -1.926 -0.673 -2.914 279 HB3 GLN 41 2HB GLN 41 -0.175 -0.572 -3.015 280 HG2 GLN 41 1HG GLN 41 -0.977 -0.535 -5.214 281 HG3 GLN 41 2HG GLN 41 -0.165 -2.061 -4.983 282 HE21 GLN 41 1HE2 GLN 41 -1.218 -3.654 -6.078 283 HE22 GLN 41 2HE2 GLN 41 -2.974 -3.816 -6.180 284 H TYR 42 H TYR 42 -1.969 -3.171 -0.141 285 HA TYR 42 HA TYR 42 -0.633 -1.337 1.675 286 HB2 TYR 42 1HB TYR 42 -2.587 -3.619 2.193 287 HB3 TYR 42 2HB TYR 42 -2.054 -2.388 3.349 288 HD1 TYR 42 2HD TYR 42 -2.344 0.106 2.481 289 HD2 TYR 42 1HD TYR 42 -4.664 -3.209 1.036 290 HE1 TYR 42 2HE TYR 42 -4.097 1.685 1.737 291 HE2 TYR 42 1HE TYR 42 -6.431 -1.659 0.303 292 HH TYR 42 HH TYR 42 -6.832 0.640 -0.243 293 H TYR 43 H TYR 43 1.368 -1.820 2.139 294 HA TYR 43 HA TYR 43 2.686 -4.359 1.651 295 HB2 TYR 43 1HB TYR 43 3.516 -1.726 2.949 296 HB3 TYR 43 2HB TYR 43 4.573 -3.121 2.892 297 HD1 TYR 43 1HD TYR 43 2.603 -0.877 0.573 298 HD2 TYR 43 2HD TYR 43 6.002 -3.490 1.053 299 HE1 TYR 43 1HE TYR 43 3.441 -0.169 -1.628 300 HE2 TYR 43 2HE TYR 43 6.862 -2.785 -1.116 301 HH TYR 43 HH TYR 43 5.200 -0.281 -3.144 302 H TYR 44 H TYR 44 3.702 -5.617 3.265 303 HA TYR 44 HA TYR 44 2.417 -5.596 5.951 304 HB2 TYR 44 1HB TYR 44 1.856 -7.567 4.625 305 HB3 TYR 44 2HB TYR 44 3.529 -7.888 4.318 306 HD1 TYR 44 2HD TYR 44 0.894 -7.885 6.923 307 HD2 TYR 44 1HD TYR 44 4.951 -8.891 6.001 308 HE1 TYR 44 2HE TYR 44 0.973 -9.409 8.957 309 HE2 TYR 44 1HE TYR 44 5.044 -10.396 7.972 310 HH TYR 44 HH TYR 44 2.320 -11.113 10.088 311 H ASN 45 H ASN 45 3.661 -5.521 7.599 312 HA ASN 45 HA ASN 45 6.571 -4.850 7.382 313 HB2 ASN 45 1HB ASN 45 5.067 -2.987 7.856 314 HB3 ASN 45 2HB ASN 45 4.377 -3.888 9.219 315 HD21 ASN 45 1HD2 ASN 45 4.985 -2.859 11.001 316 HD22 ASN 45 2HD2 ASN 45 6.616 -2.315 11.370 317 H ALA 46 H ALA 46 6.849 -7.240 7.522 318 HA ALA 46 HA ALA 46 5.918 -8.945 9.427 319 HB1 ALA 46 1HB ALA 46 7.346 -9.542 7.447 320 HB2 ALA 46 2HB ALA 46 8.765 -8.886 8.316 321 HB3 ALA 46 3HB ALA 46 7.911 -10.309 8.946 322 H GLN 47 H GLN 47 8.296 -6.530 9.940 323 HA GLN 47 HA GLN 47 9.682 -7.259 12.232 324 HB2 GLN 47 1HB GLN 47 9.479 -5.105 10.431 325 HB3 GLN 47 2HB GLN 47 8.834 -4.400 11.911 326 HG2 GLN 47 1HG GLN 47 10.856 -5.141 13.116 327 HG3 GLN 47 2HG GLN 47 11.464 -5.861 11.601 328 HE21 GLN 47 1HE2 GLN 47 12.380 -4.434 9.965 329 HE22 GLN 47 2HE2 GLN 47 12.626 -2.734 10.267 330 H SER 48 H SER 48 6.399 -6.053 11.855 331 HA SER 48 HA SER 48 5.975 -6.022 14.786 332 HB2 SER 48 1HB SER 48 5.073 -3.824 12.929 333 HB3 SER 48 2HB SER 48 5.053 -3.810 14.692 334 HG SER 48 HG SER 48 6.847 -2.634 13.604 335 H GLN 49 H GLN 49 5.060 -7.474 12.076 336 HA GLN 49 HA GLN 49 3.254 -8.288 11.062 337 HB2 GLN 49 1HB GLN 49 2.012 -8.431 13.816 338 HB3 GLN 49 2HB GLN 49 1.560 -9.365 12.370 339 HG2 GLN 49 1HG GLN 49 3.767 -10.458 12.372 340 HG3 GLN 49 2HG GLN 49 4.242 -9.538 13.800 341 HE21 GLN 49 1HE2 GLN 49 3.718 -10.373 15.837 342 HE22 GLN 49 2HE2 GLN 49 2.904 -11.917 16.012 343 H GLN 50 H GLN 50 3.283 -5.437 11.046 344 HA GLN 50 HA GLN 50 0.420 -4.684 11.226 345 HB2 GLN 50 1HB GLN 50 2.840 -3.417 12.185 346 HB3 GLN 50 2HB GLN 50 2.117 -2.367 10.989 347 HG2 GLN 50 1HG GLN 50 1.500 -2.181 13.540 348 HG3 GLN 50 2HG GLN 50 0.285 -1.906 12.290 349 HE21 GLN 50 1HE2 GLN 50 1.570 -4.926 13.942 350 HE22 GLN 50 2HE2 GLN 50 -0.041 -5.542 14.231 351 H TYR 51 H TYR 51 -0.434 -3.178 9.732 352 HA TYR 51 HA TYR 51 0.510 -3.713 6.949 353 HB2 TYR 51 1HB TYR 51 -2.153 -3.168 8.252 354 HB3 TYR 51 2HB TYR 51 -1.907 -2.507 6.660 355 HD1 TYR 51 2HD TYR 51 -1.116 -5.839 8.297 356 HD2 TYR 51 1HD TYR 51 -2.835 -3.709 4.961 357 HE1 TYR 51 2HE TYR 51 -1.556 -7.995 7.131 358 HE2 TYR 51 1HE TYR 51 -3.210 -5.825 3.778 359 HH TYR 51 HH TYR 51 -2.635 -8.051 3.718 360 H LEU 52 H LEU 52 1.095 -2.166 5.583 361 HA LEU 52 HA LEU 52 1.000 0.680 6.402 362 HB2 LEU 52 1HB LEU 52 3.411 -0.708 5.203 363 HB3 LEU 52 2HB LEU 52 3.313 0.964 5.715 364 HG LEU 52 HG LEU 52 3.285 -1.472 7.572 365 HD11 LEU 52 1HD1 LEU 52 5.530 -0.656 8.149 366 HD12 LEU 52 2HD1 LEU 52 5.367 0.657 6.965 367 HD13 LEU 52 3HD1 LEU 52 5.389 -1.037 6.420 368 HD21 LEU 52 3HD2 LEU 52 3.724 0.284 9.371 369 HD22 LEU 52 1HD2 LEU 52 2.091 0.312 8.740 370 HD23 LEU 52 2HD2 LEU 52 3.265 1.533 8.202 371 H TYR 53 H TYR 53 1.871 1.980 4.315 372 HA TYR 53 HA TYR 53 1.639 0.547 1.809 373 HB2 TYR 53 1HB TYR 53 0.116 2.045 0.733 374 HB3 TYR 53 2HB TYR 53 -0.669 1.310 2.102 375 HD1 TYR 53 2HD TYR 53 -0.665 2.772 4.372 376 HD2 TYR 53 1HD TYR 53 -0.055 4.370 0.406 377 HE1 TYR 53 2HE TYR 53 -1.464 4.964 5.151 378 HE2 TYR 53 1HE TYR 53 -0.834 6.562 1.171 379 HH TYR 53 HH TYR 53 -2.050 7.596 2.801 380 H TRP 54 H TRP 54 2.663 1.782 0.083 381 HA TRP 54 HA TRP 54 4.704 3.725 0.934 382 HB2 TRP 54 1HB TRP 54 5.332 2.049 -0.709 383 HB3 TRP 54 2HB TRP 54 3.942 2.412 -1.718 384 HD1 TRP 54 HD TRP 54 4.321 4.073 -3.621 385 HE1 TRP 54 1HE TRP 54 6.189 5.678 -4.341 386 HE3 TRP 54 3HE TRP 54 7.263 3.750 0.540 387 HZ2 TRP 54 2HZ TRP 54 8.732 6.613 -3.267 388 HZ3 TRP 54 3HZ TRP 54 9.352 5.036 0.703 389 HH2 TRP 54 HH TRP 54 10.079 6.502 -1.165 390 H ASP 55 H ASP 55 4.118 5.879 1.054 391 HA ASP 55 HA ASP 55 1.914 6.854 -0.711 392 HB2 ASP 55 1HB ASP 55 1.453 7.466 1.590 393 HB3 ASP 55 2HB ASP 55 3.061 8.183 1.771 394 H GLY 56 H GLY 56 3.069 6.932 -2.601 395 HA2 GLY 56 1HA GLY 56 5.685 7.935 -2.891 396 HA3 GLY 56 2HA GLY 56 4.473 7.820 -4.172 397 H GLU 57 H GLU 57 2.781 9.749 -2.159 398 HA GLU 57 HA GLU 57 3.626 12.231 -3.453 399 HB2 GLU 57 1HB GLU 57 1.745 11.851 -1.111 400 HB3 GLU 57 2HB GLU 57 1.842 13.240 -2.185 401 HG2 GLU 57 1HG GLU 57 1.292 10.958 -3.851 402 HG3 GLU 57 2HG GLU 57 0.242 10.839 -2.448 403 H ARG 58 H ARG 58 4.404 10.486 -0.544 404 HA ARG 58 HA ARG 58 5.943 12.823 0.521 405 HB2 ARG 58 1HB ARG 58 4.487 10.541 1.909 406 HB3 ARG 58 2HB ARG 58 5.620 11.642 2.730 407 HG2 ARG 58 1HG ARG 58 4.233 13.563 2.040 408 HG3 ARG 58 2HG ARG 58 3.055 12.468 1.297 409 HD2 ARG 58 1HD ARG 58 2.624 11.378 3.442 410 HD3 ARG 58 2HD ARG 58 3.896 12.333 4.212 411 HE ARG 58 HE ARG 58 2.541 14.142 4.369 412 HH11 ARG 58 1HH1 ARG 58 0.955 11.814 2.108 413 HH12 ARG 58 2HH1 ARG 58 -0.503 12.771 2.069 414 HH21 ARG 58 1HH2 ARG 58 0.467 15.080 4.574 415 HH22 ARG 58 2HH2 ARG 58 -0.872 14.252 3.903 416 H ARG 59 H ARG 59 6.179 9.871 -0.952 417 HA ARG 59 HA ARG 59 7.736 8.217 -1.131 418 HB2 ARG 59 1HB ARG 59 9.644 10.544 -0.723 419 HB3 ARG 59 2HB ARG 59 10.145 8.908 -1.172 420 HG2 ARG 59 1HG ARG 59 8.650 9.054 -3.207 421 HG3 ARG 59 2HG ARG 59 8.381 10.776 -2.809 422 HD2 ARG 59 1HD ARG 59 10.808 11.150 -2.812 423 HD3 ARG 59 2HD ARG 59 11.094 9.431 -3.194 424 HE ARG 59 HE ARG 59 9.383 10.632 -5.127 425 HH11 ARG 59 1HH1 ARG 59 12.770 10.663 -4.047 426 HH12 ARG 59 2HH1 ARG 59 13.413 11.181 -5.572 427 HH21 ARG 59 1HH2 ARG 59 10.219 11.443 -7.109 428 HH22 ARG 59 2HH2 ARG 59 11.929 11.451 -7.423 429 H THR 60 H THR 60 6.562 7.704 1.023 430 HA THR 60 HA THR 60 8.634 6.749 2.778 431 HB THR 60 HB THR 60 8.146 9.107 3.560 432 HG1 THR 60 1HG THR 60 7.399 7.919 5.791 433 HG21 THR 60 3HG2 THR 60 5.698 9.105 3.101 434 HG22 THR 60 1HG2 THR 60 6.111 9.620 4.744 435 HG23 THR 60 2HG2 THR 60 5.458 7.994 4.450 436 H TYR 61 H TYR 61 7.406 5.477 4.637 437 HA TYR 61 HA TYR 61 5.083 4.108 3.390 438 HB2 TYR 61 1HB TYR 61 7.052 3.033 5.421 439 HB3 TYR 61 2HB TYR 61 5.649 2.181 4.790 440 HD1 TYR 61 2HD TYR 61 9.029 3.507 3.956 441 HD2 TYR 61 1HD TYR 61 5.672 1.178 2.537 442 HE1 TYR 61 2HE TYR 61 10.424 2.592 2.133 443 HE2 TYR 61 1HE TYR 61 7.090 0.216 0.757 444 HH TYR 61 HH TYR 61 9.453 -0.163 0.174 445 H VAL 62 H VAL 62 3.202 4.129 4.511 446 HA VAL 62 HA VAL 62 3.149 5.385 7.192 447 HB VAL 62 HB VAL 62 0.808 6.248 6.115 448 HG11 VAL 62 1HG1 VAL 62 1.842 8.438 5.897 449 HG12 VAL 62 2HG1 VAL 62 2.474 7.615 7.329 450 HG13 VAL 62 3HG1 VAL 62 3.470 7.707 5.858 451 HG21 VAL 62 3HG2 VAL 62 2.783 6.619 3.809 452 HG22 VAL 62 1HG2 VAL 62 1.455 5.451 3.784 453 HG23 VAL 62 2HG2 VAL 62 1.112 7.188 3.917 454 HA PRO 63 HA PRO 63 0.748 1.872 8.198 455 HB2 PRO 63 1HB PRO 63 -0.881 2.742 10.236 456 HB3 PRO 63 2HB PRO 63 0.892 2.496 10.406 457 HG2 PRO 63 1HG PRO 63 -0.610 5.076 9.873 458 HG3 PRO 63 2HG PRO 63 0.734 4.773 11.017 459 HD2 PRO 63 1HD PRO 63 1.121 5.905 8.578 460 HD3 PRO 63 2HD PRO 63 2.331 4.819 9.326 461 H ALA 64 H ALA 64 -0.918 0.884 7.182 462 HA ALA 64 HA ALA 64 -2.827 2.596 5.778 463 HB1 ALA 64 1HB ALA 64 -3.356 0.521 4.522 464 HB2 ALA 64 2HB ALA 64 -1.604 0.791 4.556 465 HB3 ALA 64 3HB ALA 64 -2.342 -0.423 5.625 466 H LEU 65 H LEU 65 -3.053 1.899 8.643 467 HA LEU 65 HA LEU 65 -5.082 0.006 9.135 468 HB2 LEU 65 1HB LEU 65 -3.853 2.292 10.667 469 HB3 LEU 65 2HB LEU 65 -5.273 1.519 11.332 470 HG LEU 65 HG LEU 65 -3.071 0.697 12.165 471 HD11 LEU 65 1HD1 LEU 65 -5.151 -0.617 12.416 472 HD12 LEU 65 2HD1 LEU 65 -3.724 -1.643 12.274 473 HD13 LEU 65 3HD1 LEU 65 -4.810 -1.440 10.880 474 HD21 LEU 65 3HD2 LEU 65 -1.769 0.610 10.078 475 HD22 LEU 65 1HD2 LEU 65 -2.770 -0.748 9.510 476 HD23 LEU 65 2HD2 LEU 65 -1.760 -0.921 10.950 477 H GLU 66 H GLU 66 -5.422 3.471 8.456 478 HA GLU 66 HA GLU 66 -8.400 3.202 8.551 479 HB2 GLU 66 1HB GLU 66 -6.497 5.560 8.560 480 HB3 GLU 66 2HB GLU 66 -8.211 5.762 8.166 481 HG2 GLU 66 1HG GLU 66 -8.908 4.912 10.326 482 HG3 GLU 66 2HG GLU 66 -7.289 4.376 10.709 483 H GLN 67 H GLN 67 -5.742 3.632 6.292 484 HA GLN 67 HA GLN 67 -5.627 4.194 4.108 485 HB2 GLN 67 1HB GLN 67 -6.638 2.523 2.656 486 HB3 GLN 67 2HB GLN 67 -5.742 1.865 4.002 487 HG2 GLN 67 1HG GLN 67 -7.587 0.870 4.959 488 HG3 GLN 67 2HG GLN 67 -8.680 2.153 4.433 489 HE21 GLN 67 1HE2 GLN 67 -7.422 -1.051 3.450 490 HE22 GLN 67 2HE2 GLN 67 -8.415 -1.013 1.980 491 H SER 68 H SER 68 -7.487 5.995 5.374 492 HA SER 68 HA SER 68 -8.771 7.712 4.919 493 HB2 SER 68 1HB SER 68 -7.579 8.556 3.203 494 HB3 SER 68 2HB SER 68 -7.669 7.108 2.235 495 HG SER 68 HG SER 68 -8.823 9.077 1.531 496 H ALA 69 H ALA 69 -10.854 8.128 5.007 497 HA ALA 69 HA ALA 69 -12.994 7.684 5.425 498 HB1 ALA 69 1HB ALA 69 -13.177 7.647 2.896 499 HB2 ALA 69 2HB ALA 69 -13.115 5.876 2.990 500 HB3 ALA 69 3HB ALA 69 -14.442 6.757 3.766 501 H ASP 70 H ASP 70 -14.520 5.303 5.211 502 HA ASP 70 HA ASP 70 -13.086 3.271 6.763 503 HB2 ASP 70 1HB ASP 70 -13.658 4.905 8.507 504 HB3 ASP 70 2HB ASP 70 -15.320 4.997 7.921 505 H GLY 71 H GLY 71 -14.821 1.461 7.245 506 HA2 GLY 71 1HA GLY 71 -16.462 0.040 6.541 507 HA3 GLY 71 2HA GLY 71 -17.255 1.373 5.702 508 H HIS 72 H HIS 72 -15.959 2.069 3.617 509 HA HIS 72 HA HIS 72 -15.947 -0.166 1.786 510 HB2 HIS 72 1HB HIS 72 -15.321 2.772 1.637 511 HB3 HIS 72 2HB HIS 72 -14.815 1.732 0.333 512 HD1 HIS 72 1HD HIS 72 -16.594 2.077 -1.612 513 HD2 HIS 72 2HD HIS 72 -18.237 1.645 2.273 514 HE1 HIS 72 1HE HIS 72 -19.092 2.107 -1.867 515 H LYS 73 H LYS 73 -13.642 0.518 3.975 516 HA LYS 73 HA LYS 73 -11.178 -0.080 2.515 517 HB2 LYS 73 1HB LYS 73 -10.408 -0.690 4.874 518 HB3 LYS 73 2HB LYS 73 -10.837 1.004 4.614 519 HG2 LYS 73 1HG LYS 73 -13.017 0.690 5.661 520 HG3 LYS 73 2HG LYS 73 -12.707 -1.040 5.867 521 HD2 LYS 73 1HD LYS 73 -10.651 -0.330 7.275 522 HD3 LYS 73 2HD LYS 73 -11.410 1.276 7.325 523 HE2 LYS 73 1HE LYS 73 -13.539 0.125 8.135 524 HE3 LYS 73 2HE LYS 73 -12.638 -1.390 8.189 525 HZ1 LYS 73 3HZ LYS 73 -11.172 -0.350 9.832 526 HZ2 LYS 73 1HZ LYS 73 -12.747 -0.393 10.321 527 HZ3 LYS 73 2HZ LYS 73 -12.097 1.025 9.781 528 H GLU 74 H GLU 74 -10.791 -2.079 1.649 529 HA GLU 74 HA GLU 74 -12.603 -4.289 2.215 530 HB2 GLU 74 1HB GLU 74 -9.938 -4.068 0.742 531 HB3 GLU 74 2HB GLU 74 -10.835 -5.569 0.866 532 HG2 GLU 74 1HG GLU 74 -12.672 -4.751 -0.400 533 HG3 GLU 74 2HG GLU 74 -12.163 -3.080 -0.256 534 H THR 75 H THR 75 -9.299 -3.338 2.971 535 HA THR 75 HA THR 75 -7.694 -4.044 4.315 536 HB THR 75 HB THR 75 -8.736 -5.296 6.541 537 HG1 THR 75 1HG THR 75 -10.879 -4.767 5.615 538 HG21 THR 75 3HG2 THR 75 -7.196 -3.307 6.421 539 HG22 THR 75 1HG2 THR 75 -8.528 -3.043 7.581 540 HG23 THR 75 2HG2 THR 75 -8.599 -2.293 5.955 541 H GLY 76 H GLY 76 -9.936 -6.497 3.368 542 HA2 GLY 76 1HA GLY 76 -8.081 -8.679 3.095 543 HA3 GLY 76 2HA GLY 76 -9.004 -8.683 4.649 544 H ALA 77 H ALA 77 -9.469 -8.106 1.112 545 HA ALA 77 HA ALA 77 -11.418 -10.112 0.794 546 HB1 ALA 77 1HB ALA 77 -12.314 -7.197 0.415 547 HB2 ALA 77 2HB ALA 77 -13.221 -8.622 -0.117 548 HB3 ALA 77 3HB ALA 77 -12.970 -8.339 1.616 549 HA PRO 78 HA PRO 78 -9.443 -9.428 -3.253 550 HB2 PRO 78 1HB PRO 78 -11.443 -10.406 -4.963 551 HB3 PRO 78 2HB PRO 78 -10.170 -11.361 -4.190 552 HG2 PRO 78 1HG PRO 78 -13.049 -11.100 -3.411 553 HG3 PRO 78 2HG PRO 78 -11.952 -12.465 -3.191 554 HD2 PRO 78 1HD PRO 78 -12.669 -10.730 -1.174 555 HD3 PRO 78 2HD PRO 78 -11.151 -11.687 -1.174 556 H SER 79 H SER 79 -9.290 -7.653 -4.531 557 HA SER 79 HA SER 79 -11.285 -5.542 -4.339 558 HB2 SER 79 1HB SER 79 -8.682 -5.674 -5.897 559 HB3 SER 79 2HB SER 79 -9.602 -4.229 -5.439 560 HG SER 79 HG SER 79 -9.209 -4.985 -3.173 561 H LYS 80 H LYS 80 -12.951 -6.913 -5.346 562 HA LYS 80 HA LYS 80 -13.138 -6.256 -8.229 563 HB2 LYS 80 1HB LYS 80 -12.503 -8.820 -7.434 564 HB3 LYS 80 2HB LYS 80 -14.250 -8.936 -7.496 565 HG2 LYS 80 1HG LYS 80 -12.460 -7.983 -9.793 566 HG3 LYS 80 2HG LYS 80 -12.967 -9.632 -9.526 567 HD2 LYS 80 1HD LYS 80 -14.522 -9.134 -11.051 568 HD3 LYS 80 2HD LYS 80 -15.415 -8.639 -9.628 569 HE2 LYS 80 1HE LYS 80 -15.676 -7.001 -11.380 570 HE3 LYS 80 2HE LYS 80 -14.743 -6.254 -10.082 571 HZ1 LYS 80 3HZ LYS 80 -12.806 -6.343 -11.389 572 HZ2 LYS 80 1HZ LYS 80 -13.970 -5.941 -12.463 573 HZ3 LYS 80 2HZ LYS 80 -13.386 -7.481 -12.402 574 H GLU 81 H GLU 81 -14.599 -6.296 -5.141 575 HA GLU 81 HA GLU 81 -17.336 -6.810 -5.934 576 HB2 GLU 81 1HB GLU 81 -17.906 -6.403 -3.639 577 HB3 GLU 81 2HB GLU 81 -16.575 -7.537 -3.746 578 HG2 GLU 81 1HG GLU 81 -15.023 -6.019 -2.870 579 HG3 GLU 81 2HG GLU 81 -16.023 -4.604 -3.251 580 H GLY 82 H GLY 82 -15.876 -4.353 -7.100 581 HA2 GLY 82 1HA GLY 82 -16.574 -2.275 -7.845 582 HA3 GLY 82 2HA GLY 82 -18.105 -2.505 -7.013 583 H LYS 83 H LYS 83 -15.651 -3.003 -4.808 584 HA LYS 83 HA LYS 83 -15.427 -0.140 -3.988 585 HB2 LYS 83 1HB LYS 83 -15.375 -2.623 -2.229 586 HB3 LYS 83 2HB LYS 83 -15.147 -0.949 -1.683 587 HG2 LYS 83 1HG LYS 83 -17.374 -0.337 -2.539 588 HG3 LYS 83 2HG LYS 83 -17.654 -1.982 -3.101 589 HD2 LYS 83 1HD LYS 83 -17.703 -2.815 -0.809 590 HD3 LYS 83 2HD LYS 83 -17.383 -1.161 -0.199 591 HE2 LYS 83 1HE LYS 83 -19.387 -0.297 -1.246 592 HE3 LYS 83 2HE LYS 83 -19.658 -1.799 -2.128 593 HZ1 LYS 83 3HZ LYS 83 -20.334 -2.863 -0.170 594 HZ2 LYS 83 1HZ LYS 83 -21.062 -1.377 -0.143 595 HZ3 LYS 83 2HZ LYS 83 -19.765 -1.683 0.814 596 H GLU 84 H GLU 84 -13.987 -2.220 -5.779 597 HA GLU 84 HA GLU 84 -11.662 -3.182 -4.985 598 HB2 GLU 84 1HB GLU 84 -10.910 -3.104 -7.312 599 HB3 GLU 84 2HB GLU 84 -12.570 -3.675 -7.123 600 HG2 GLU 84 1HG GLU 84 -13.472 -1.560 -7.899 601 HG3 GLU 84 2HG GLU 84 -11.855 -0.845 -8.005 602 H LYS 85 H LYS 85 -11.948 0.084 -6.355 603 HA LYS 85 HA LYS 85 -9.699 1.000 -4.677 604 HB2 LYS 85 1HB LYS 85 -9.348 0.310 -7.395 605 HB3 LYS 85 2HB LYS 85 -9.588 2.027 -7.433 606 HG2 LYS 85 1HG LYS 85 -7.285 1.750 -7.245 607 HG3 LYS 85 2HG LYS 85 -7.793 2.209 -5.613 608 HD2 LYS 85 1HD LYS 85 -7.959 -0.561 -5.559 609 HD3 LYS 85 2HD LYS 85 -6.613 -0.340 -6.641 610 HE2 LYS 85 1HE LYS 85 -6.767 1.050 -3.938 611 HE3 LYS 85 2HE LYS 85 -6.276 -0.638 -4.084 612 HZ1 LYS 85 3HZ LYS 85 -4.882 1.568 -5.451 613 HZ2 LYS 85 1HZ LYS 85 -4.422 -0.016 -5.428 614 HZ3 LYS 85 2HZ LYS 85 -4.406 0.835 -4.041 615 H LYS 86 H LYS 86 -12.330 1.247 -4.200 616 HA LYS 86 HA LYS 86 -14.032 2.728 -3.701 617 HB2 LYS 86 1HB LYS 86 -11.487 4.249 -3.049 618 HB3 LYS 86 2HB LYS 86 -13.069 4.562 -2.338 619 HG2 LYS 86 1HG LYS 86 -13.144 2.393 -1.287 620 HG3 LYS 86 2HG LYS 86 -11.702 1.841 -2.140 621 HD2 LYS 86 1HD LYS 86 -10.291 2.707 -0.667 622 HD3 LYS 86 2HD LYS 86 -11.108 4.271 -0.656 623 HE2 LYS 86 1HE LYS 86 -12.793 3.424 0.927 624 HE3 LYS 86 2HE LYS 86 -12.052 1.807 0.857 625 HZ1 LYS 86 3HZ LYS 86 -10.713 4.231 1.945 626 HZ2 LYS 86 1HZ LYS 86 -10.066 2.712 1.841 627 HZ3 LYS 86 2HZ LYS 86 -11.331 3.024 2.816 628 H GLU 87 H GLU 87 -14.704 2.973 -5.980 629 HA GLU 87 HA GLU 87 -14.208 5.201 -7.601 630 HB2 GLU 87 1HB GLU 87 -16.292 4.480 -8.724 631 HB3 GLU 87 2HB GLU 87 -15.210 3.145 -8.367 632 HG2 GLU 87 1HG GLU 87 -16.586 2.578 -6.361 633 HG3 GLU 87 2HG GLU 87 -17.679 3.916 -6.721 634 H LYS 88 H LYS 88 -15.265 5.672 -4.604 635 HA LYS 88 HA LYS 88 -16.633 7.071 -3.417 636 HB2 LYS 88 1HB LYS 88 -16.595 8.714 -5.940 637 HB3 LYS 88 2HB LYS 88 -17.149 9.289 -4.389 638 HG2 LYS 88 1HG LYS 88 -14.975 9.442 -3.530 639 HG3 LYS 88 2HG LYS 88 -14.286 8.290 -4.689 640 HD2 LYS 88 1HD LYS 88 -14.196 9.817 -6.424 641 HD3 LYS 88 2HD LYS 88 -15.568 10.736 -5.833 642 HE2 LYS 88 1HE LYS 88 -14.086 11.536 -3.907 643 HE3 LYS 88 2HE LYS 88 -12.713 10.870 -4.828 644 HZ1 LYS 88 3HZ LYS 88 -14.652 12.864 -5.825 645 HZ2 LYS 88 1HZ LYS 88 -13.339 12.272 -6.656 646 HZ3 LYS 88 2HZ LYS 88 -13.112 13.220 -5.338 647 H HIS 89 H HIS 89 -18.327 5.614 -3.172 648 HA HIS 89 HA HIS 89 -20.364 5.143 -5.139 649 HB2 HIS 89 1HB HIS 89 -19.867 3.605 -3.285 650 HB3 HIS 89 2HB HIS 89 -20.433 4.803 -2.111 651 HD1 HIS 89 1HD HIS 89 -22.964 4.347 -1.398 652 HD2 HIS 89 2HD HIS 89 -21.921 3.015 -5.282 653 HE1 HIS 89 1HE HIS 89 -25.052 3.382 -2.411 654 H LYS 90 H LYS 90 -19.906 7.700 -2.717 655 HA LYS 90 HA LYS 90 -22.264 9.085 -3.783 656 HB2 LYS 90 1HB LYS 90 -23.142 9.681 -1.643 657 HB3 LYS 90 2HB LYS 90 -22.930 7.930 -1.624 658 HG2 LYS 90 1HG LYS 90 -20.730 8.283 -0.400 659 HG3 LYS 90 2HG LYS 90 -21.136 10.005 -0.292 660 HD2 LYS 90 1HD LYS 90 -23.258 9.369 0.926 661 HD3 LYS 90 2HD LYS 90 -22.697 7.679 0.887 662 HE2 LYS 90 1HE LYS 90 -20.500 8.623 1.933 663 HE3 LYS 90 2HE LYS 90 -21.443 10.073 2.296 664 HZ1 LYS 90 3HZ LYS 90 -21.430 8.526 4.159 665 HZ2 LYS 90 1HZ LYS 90 -22.058 7.327 3.234 666 HZ3 LYS 90 2HZ LYS 90 -22.943 8.661 3.608 667 H THR 91 H THR 91 -22.150 11.439 -3.377 668 HA THR 91 HA THR 91 -19.427 12.471 -3.113 669 HB THR 91 HB THR 91 -20.831 14.595 -3.866 670 HG1 THR 91 1HG THR 91 -22.586 13.526 -5.282 671 HG21 THR 91 3HG2 THR 91 -20.509 13.905 -6.212 672 HG22 THR 91 1HG2 THR 91 -20.349 12.223 -5.700 673 HG23 THR 91 2HG2 THR 91 -19.144 13.429 -5.215 674 H LYS 92 H LYS 92 -19.674 14.893 -2.087 675 HA LYS 92 HA LYS 92 -21.518 14.921 0.154 676 HB2 LYS 92 1HB LYS 92 -19.202 14.602 1.110 677 HB3 LYS 92 2HB LYS 92 -18.713 16.115 0.315 678 HG2 LYS 92 1HG LYS 92 -20.227 17.412 1.672 679 HG3 LYS 92 2HG LYS 92 -21.124 15.971 2.149 680 HD2 LYS 92 1HD LYS 92 -19.995 16.480 4.062 681 HD3 LYS 92 2HD LYS 92 -19.003 15.197 3.388 682 HE2 LYS 92 1HE LYS 92 -18.458 18.183 3.107 683 HE3 LYS 92 2HE LYS 92 -17.801 17.194 4.411 684 HZ1 LYS 92 3HZ LYS 92 -16.559 15.927 2.839 685 HZ2 LYS 92 1HZ LYS 92 -16.246 17.513 2.605 686 HZ3 LYS 92 2HZ LYS 92 -17.209 16.714 1.548 Start of MODEL 20 1 H1 GLY 1 H GLY 1 16.860 24.426 -6.393 2 HA2 GLY 1 1HA GLY 1 19.519 25.527 -5.700 3 HA3 GLY 1 2HA GLY 1 17.964 26.354 -5.452 4 H HIS 2 H HIS 2 17.511 26.372 -3.304 5 HA HIS 2 HA HIS 2 17.203 25.777 -1.182 6 HB2 HIS 2 1HB HIS 2 17.187 22.850 -1.945 7 HB3 HIS 2 2HB HIS 2 16.451 23.632 -0.542 8 HD1 HIS 2 1HD HIS 2 14.657 21.846 -2.579 9 HD2 HIS 2 2HD HIS 2 15.100 26.050 -2.508 10 HE1 HIS 2 1HE HIS 2 12.734 22.794 -3.898 11 H MET 3 H MET 3 18.257 23.649 0.339 12 HA MET 3 HA MET 3 21.203 23.985 0.023 13 HB2 MET 3 1HB MET 3 19.583 24.264 2.593 14 HB3 MET 3 2HB MET 3 21.332 24.053 2.509 15 HG2 MET 3 1HG MET 3 21.078 26.337 2.774 16 HG3 MET 3 2HG MET 3 21.396 26.155 1.050 17 HE1 MET 3 3HE MET 3 20.407 28.787 2.442 18 HE2 MET 3 1HE MET 3 20.650 28.670 0.683 19 HE3 MET 3 2HE MET 3 19.140 29.351 1.334 20 H GLN 4 H GLN 4 18.776 22.180 2.068 21 HA GLN 4 HA GLN 4 19.949 19.644 1.217 22 HB2 GLN 4 1HB GLN 4 20.431 18.988 3.524 23 HB3 GLN 4 2HB GLN 4 21.372 20.382 3.011 24 HG2 GLN 4 1HG GLN 4 19.515 21.808 4.213 25 HG3 GLN 4 2HG GLN 4 19.029 20.282 4.958 26 HE21 GLN 4 1HE2 GLN 4 19.616 21.622 7.052 27 HE22 GLN 4 2HE2 GLN 4 21.333 21.794 7.353 28 H GLU 5 H GLU 5 18.372 18.019 1.238 29 HA GLU 5 HA GLU 5 15.637 18.706 1.793 30 HB2 GLU 5 1HB GLU 5 16.257 16.937 0.188 31 HB3 GLU 5 2HB GLU 5 17.003 16.013 1.463 32 HG2 GLU 5 1HG GLU 5 15.003 14.915 1.132 33 HG3 GLU 5 2HG GLU 5 14.653 15.884 2.558 34 H SER 6 H SER 6 18.169 17.124 3.655 35 HA SER 6 HA SER 6 18.276 16.137 5.700 36 HB2 SER 6 1HB SER 6 16.281 18.303 6.387 37 HB3 SER 6 2HB SER 6 16.870 17.133 7.588 38 HG SER 6 HG SER 6 18.038 19.190 7.318 39 H TYR 7 H TYR 7 16.842 15.012 3.670 40 HA TYR 7 HA TYR 7 15.757 13.343 2.978 41 HB2 TYR 7 1HB TYR 7 15.582 11.950 5.584 42 HB3 TYR 7 2HB TYR 7 16.173 11.460 4.016 43 HD1 TYR 7 1HD TYR 7 18.554 11.844 3.363 44 HD2 TYR 7 2HD TYR 7 16.949 13.091 7.174 45 HE1 TYR 7 1HE TYR 7 20.873 12.264 4.190 46 HE2 TYR 7 2HE TYR 7 19.256 13.627 7.966 47 HH TYR 7 HH TYR 7 22.186 13.164 5.984 48 H SER 8 H SER 8 14.395 13.937 6.121 49 HA SER 8 HA SER 8 12.424 13.953 7.045 50 HB2 SER 8 1HB SER 8 12.481 15.890 5.421 51 HB3 SER 8 2HB SER 8 11.487 14.941 4.318 52 HG SER 8 HG SER 8 9.798 15.029 5.713 53 H GLN 9 H GLN 9 12.909 11.526 4.821 54 HA GLN 9 HA GLN 9 10.292 10.358 5.026 55 HB2 GLN 9 1HB GLN 9 11.963 10.972 2.561 56 HB3 GLN 9 2HB GLN 9 10.668 9.803 2.526 57 HG2 GLN 9 1HG GLN 9 10.283 12.734 3.174 58 HG3 GLN 9 2HG GLN 9 9.924 11.917 1.650 59 HE21 GLN 9 1HE2 GLN 9 8.141 10.517 1.497 60 HE22 GLN 9 2HE2 GLN 9 6.845 10.478 2.690 61 H TYR 10 H TYR 10 10.803 8.186 3.363 62 HA TYR 10 HA TYR 10 12.031 6.339 5.204 63 HB2 TYR 10 1HB TYR 10 10.775 6.153 2.434 64 HB3 TYR 10 2HB TYR 10 11.415 4.771 3.255 65 HD1 TYR 10 1HD TYR 10 8.763 7.398 3.397 66 HD2 TYR 10 2HD TYR 10 10.254 3.729 5.093 67 HE1 TYR 10 1HE TYR 10 6.643 7.123 4.606 68 HE2 TYR 10 2HE TYR 10 8.106 3.414 6.301 69 HH TYR 10 HH TYR 10 5.508 5.882 6.198 70 HA PRO 11 HA PRO 11 16.026 6.017 2.971 71 HB2 PRO 11 1HB PRO 11 16.728 3.437 3.403 72 HB3 PRO 11 2HB PRO 11 16.583 4.582 4.767 73 HG2 PRO 11 1HG PRO 11 14.497 2.636 3.776 74 HG3 PRO 11 2HG PRO 11 15.133 2.814 5.453 75 HD2 PRO 11 1HD PRO 11 12.842 4.030 4.623 76 HD3 PRO 11 2HD PRO 11 13.939 4.821 5.775 77 H VAL 12 H VAL 12 16.905 3.975 1.375 78 HA VAL 12 HA VAL 12 14.775 3.626 -0.664 79 HB VAL 12 HB VAL 12 17.760 3.771 -1.103 80 HG11 VAL 12 1HG1 VAL 12 17.124 3.800 -3.504 81 HG12 VAL 12 2HG1 VAL 12 16.622 2.290 -2.734 82 HG13 VAL 12 3HG1 VAL 12 15.422 3.556 -3.061 83 HG21 VAL 12 3HG2 VAL 12 16.914 5.992 -0.580 84 HG22 VAL 12 1HG2 VAL 12 17.078 5.903 -2.336 85 HG23 VAL 12 2HG2 VAL 12 15.480 5.746 -1.594 86 HA PRO 13 HA PRO 13 15.475 -0.566 1.228 87 HB2 PRO 13 1HB PRO 13 12.980 -1.564 0.779 88 HB3 PRO 13 2HB PRO 13 13.302 -0.392 2.100 89 HG2 PRO 13 1HG PRO 13 12.275 0.235 -0.710 90 HG3 PRO 13 2HG PRO 13 11.554 0.726 0.841 91 HD2 PRO 13 1HD PRO 13 13.168 2.374 -0.488 92 HD3 PRO 13 2HD PRO 13 13.271 2.256 1.298 93 H ASP 14 H ASP 14 15.282 -2.816 0.051 94 HA ASP 14 HA ASP 14 14.968 -2.621 -2.868 95 HB2 ASP 14 1HB ASP 14 17.406 -1.859 -2.158 96 HB3 ASP 14 2HB ASP 14 17.692 -3.582 -2.004 97 H VAL 15 H VAL 15 14.543 -4.569 -3.856 98 HA VAL 15 HA VAL 15 14.008 -6.895 -2.345 99 HB VAL 15 HB VAL 15 12.867 -6.276 -4.410 100 HG11 VAL 15 1HG1 VAL 15 13.877 -6.570 -6.613 101 HG12 VAL 15 2HG1 VAL 15 14.756 -5.343 -5.683 102 HG13 VAL 15 3HG1 VAL 15 15.435 -6.966 -5.866 103 HG21 VAL 15 3HG2 VAL 15 12.683 -8.414 -5.462 104 HG22 VAL 15 1HG2 VAL 15 14.272 -8.929 -4.851 105 HG23 VAL 15 2HG2 VAL 15 12.929 -8.691 -3.729 106 H SER 16 H SER 16 17.008 -5.731 -3.657 107 HA SER 16 HA SER 16 18.492 -8.115 -3.712 108 HB2 SER 16 1HB SER 16 19.065 -5.642 -4.351 109 HB3 SER 16 2HB SER 16 19.625 -5.500 -2.678 110 HG SER 16 HG SER 16 21.303 -6.716 -3.151 111 H THR 17 H THR 17 16.842 -6.900 -0.958 112 HA THR 17 HA THR 17 18.398 -8.782 0.689 113 HB THR 17 HB THR 17 19.183 -6.401 0.884 114 HG1 THR 17 1HG THR 17 19.767 -7.792 2.282 115 HG21 THR 17 3HG2 THR 17 18.016 -4.943 2.499 116 HG22 THR 17 1HG2 THR 17 16.563 -5.953 2.346 117 HG23 THR 17 2HG2 THR 17 17.221 -5.058 0.938 118 H TYR 18 H TYR 18 15.504 -8.675 -0.652 119 HA TYR 18 HA TYR 18 13.824 -8.960 1.704 120 HB2 TYR 18 1HB TYR 18 13.414 -9.667 -1.218 121 HB3 TYR 18 2HB TYR 18 12.204 -9.887 0.028 122 HD1 TYR 18 1HD TYR 18 13.549 -6.979 1.227 123 HD2 TYR 18 2HD TYR 18 11.336 -8.386 -2.197 124 HE1 TYR 18 1HE TYR 18 13.006 -4.684 0.635 125 HE2 TYR 18 2HE TYR 18 10.834 -6.053 -2.822 126 HH TYR 18 HH TYR 18 11.045 -3.773 -2.205 127 H GLN 19 H GLN 19 12.647 -10.961 2.087 128 HA GLN 19 HA GLN 19 14.267 -13.476 1.734 129 HB2 GLN 19 1HB GLN 19 12.286 -12.635 3.927 130 HB3 GLN 19 2HB GLN 19 12.805 -14.293 3.631 131 HG2 GLN 19 1HG GLN 19 15.224 -13.335 3.799 132 HG3 GLN 19 2HG GLN 19 14.487 -11.976 4.613 133 HE21 GLN 19 1HE2 GLN 19 13.007 -12.645 6.583 134 HE22 GLN 19 2HE2 GLN 19 13.594 -13.998 7.544 135 H TYR 20 H TYR 20 13.332 -15.029 0.480 136 HA TYR 20 HA TYR 20 10.631 -14.639 -0.610 137 HB2 TYR 20 1HB TYR 20 12.565 -15.539 -1.889 138 HB3 TYR 20 2HB TYR 20 12.636 -16.921 -0.816 139 HD1 TYR 20 1HD TYR 20 10.167 -15.036 -2.958 140 HD2 TYR 20 2HD TYR 20 11.518 -18.884 -1.588 141 HE1 TYR 20 1HE TYR 20 8.814 -16.094 -4.697 142 HE2 TYR 20 2HE TYR 20 10.104 -19.983 -3.261 143 HH TYR 20 HH TYR 20 8.219 -18.079 -5.693 144 H ASP 21 H ASP 21 8.896 -15.960 -0.091 145 HA ASP 21 HA ASP 21 9.266 -18.077 2.031 146 HB2 ASP 21 1HB ASP 21 7.364 -15.811 1.758 147 HB3 ASP 21 2HB ASP 21 6.646 -17.265 2.262 148 H GLU 22 H GLU 22 9.556 -19.583 0.470 149 HA GLU 22 HA GLU 22 8.017 -20.245 -1.791 150 HB2 GLU 22 1HB GLU 22 8.869 -22.662 -1.062 151 HB3 GLU 22 2HB GLU 22 9.961 -21.441 -1.737 152 HG2 GLU 22 1HG GLU 22 10.748 -20.816 0.413 153 HG3 GLU 22 2HG GLU 22 9.598 -21.912 1.206 154 H THR 23 H THR 23 7.159 -20.611 1.555 155 HA THR 23 HA THR 23 5.096 -22.517 1.399 156 HB THR 23 HB THR 23 6.001 -21.416 3.443 157 HG1 THR 23 1HG THR 23 3.904 -21.122 4.488 158 HG21 THR 23 3HG2 THR 23 5.883 -19.105 2.613 159 HG22 THR 23 1HG2 THR 23 5.174 -19.285 4.208 160 HG23 THR 23 2HG2 THR 23 4.112 -19.118 2.789 161 H SER 24 H SER 24 5.090 -19.139 0.212 162 HA SER 24 HA SER 24 2.535 -19.685 -1.206 163 HB2 SER 24 1HB SER 24 3.077 -17.230 0.501 164 HB3 SER 24 2HB SER 24 1.671 -17.462 -0.566 165 HG SER 24 HG SER 24 1.282 -18.072 1.685 166 H GLY 25 H GLY 25 5.779 -18.368 -1.425 167 HA2 GLY 25 1HA GLY 25 6.785 -18.196 -3.461 168 HA3 GLY 25 2HA GLY 25 5.235 -18.059 -4.286 169 H TYR 26 H TYR 26 5.954 -15.962 -1.531 170 HA TYR 26 HA TYR 26 6.109 -13.585 -3.345 171 HB2 TYR 26 1HB TYR 26 4.677 -14.184 -0.764 172 HB3 TYR 26 2HB TYR 26 5.180 -12.537 -1.036 173 HD1 TYR 26 1HD TYR 26 3.072 -15.339 -2.187 174 HD2 TYR 26 2HD TYR 26 4.054 -11.201 -2.793 175 HE1 TYR 26 1HE TYR 26 0.992 -15.063 -3.480 176 HE2 TYR 26 2HE TYR 26 1.962 -10.888 -4.085 177 HH TYR 26 HH TYR 26 0.180 -11.988 -5.115 178 H TYR 27 H TYR 27 7.152 -11.693 -1.966 179 HA TYR 27 HA TYR 27 9.554 -12.707 -0.532 180 HB2 TYR 27 1HB TYR 27 9.259 -10.458 -2.558 181 HB3 TYR 27 2HB TYR 27 10.640 -10.617 -1.492 182 HD1 TYR 27 2HD TYR 27 12.275 -12.419 -1.751 183 HD2 TYR 27 1HD TYR 27 8.933 -12.000 -4.432 184 HE1 TYR 27 2HE TYR 27 13.368 -13.951 -3.327 185 HE2 TYR 27 1HE TYR 27 10.054 -13.539 -6.060 186 HH TYR 27 HH TYR 27 13.155 -15.131 -5.246 187 H TYR 28 H TYR 28 10.159 -11.464 1.208 188 HA TYR 28 HA TYR 28 8.229 -9.420 2.217 189 HB2 TYR 28 1HB TYR 28 8.106 -11.537 3.373 190 HB3 TYR 28 2HB TYR 28 9.850 -11.591 3.584 191 HD1 TYR 28 2HD TYR 28 6.964 -9.270 4.347 192 HD2 TYR 28 1HD TYR 28 10.605 -11.103 5.670 193 HE1 TYR 28 2HE TYR 28 6.640 -8.272 6.574 194 HE2 TYR 28 1HE TYR 28 10.443 -9.915 7.864 195 HH TYR 28 HH TYR 28 9.036 -8.740 9.215 196 H ASP 29 H ASP 29 8.971 -7.580 3.076 197 HA ASP 29 HA ASP 29 11.802 -6.838 2.763 198 HB2 ASP 29 1HB ASP 29 10.419 -5.386 1.551 199 HB3 ASP 29 2HB ASP 29 9.353 -5.090 2.927 200 HA PRO 30 HA PRO 30 11.479 -7.107 7.361 201 HB2 PRO 30 1HB PRO 30 14.180 -7.203 7.850 202 HB3 PRO 30 2HB PRO 30 13.147 -8.598 7.507 203 HG2 PRO 30 1HG PRO 30 14.942 -7.094 5.595 204 HG3 PRO 30 2HG PRO 30 14.767 -8.872 5.770 205 HD2 PRO 30 1HD PRO 30 13.504 -7.383 3.837 206 HD3 PRO 30 2HD PRO 30 12.741 -8.841 4.531 207 H GLN 31 H GLN 31 12.743 -4.749 5.155 208 HA GLN 31 HA GLN 31 13.844 -2.996 7.168 209 HB2 GLN 31 1HB GLN 31 14.180 -3.004 4.564 210 HB3 GLN 31 2HB GLN 31 12.758 -1.969 4.519 211 HG2 GLN 31 1HG GLN 31 15.165 -1.344 6.287 212 HG3 GLN 31 2HG GLN 31 15.137 -0.937 4.577 213 HE21 GLN 31 1HE2 GLN 31 14.201 0.207 7.689 214 HE22 GLN 31 2HE2 GLN 31 13.263 1.559 7.109 215 H THR 32 H THR 32 10.626 -3.316 5.580 216 HA THR 32 HA THR 32 9.439 -1.656 7.777 217 HB THR 32 HB THR 32 7.913 -0.789 5.990 218 HG1 THR 32 1HG THR 32 9.783 -2.079 4.282 219 HG21 THR 32 3HG2 THR 32 9.488 1.004 5.371 220 HG22 THR 32 1HG2 THR 32 10.862 -0.046 5.736 221 HG23 THR 32 2HG2 THR 32 9.788 0.512 7.040 222 H GLY 33 H GLY 33 9.097 -4.654 6.081 223 HA2 GLY 33 1HA GLY 33 7.753 -6.289 7.049 224 HA3 GLY 33 2HA GLY 33 6.706 -5.037 7.741 225 H LEU 34 H LEU 34 7.316 -4.346 4.485 226 HA LEU 34 HA LEU 34 4.590 -5.172 3.664 227 HB2 LEU 34 1HB LEU 34 6.781 -3.864 2.028 228 HB3 LEU 34 2HB LEU 34 5.088 -3.977 1.605 229 HG LEU 34 HG LEU 34 5.993 -2.451 4.100 230 HD11 LEU 34 1HD1 LEU 34 5.893 -0.427 2.675 231 HD12 LEU 34 2HD1 LEU 34 5.793 -1.501 1.240 232 HD13 LEU 34 3HD1 LEU 34 7.219 -1.536 2.290 233 HD21 LEU 34 3HD2 LEU 34 3.835 -1.272 3.764 234 HD22 LEU 34 1HD2 LEU 34 3.593 -2.998 4.029 235 HD23 LEU 34 2HD2 LEU 34 3.467 -2.336 2.398 236 H TYR 35 H TYR 35 4.338 -6.407 1.592 237 HA TYR 35 HA TYR 35 6.588 -8.296 1.098 238 HB2 TYR 35 1HB TYR 35 3.602 -8.631 0.849 239 HB3 TYR 35 2HB TYR 35 4.743 -9.718 0.073 240 HD1 TYR 35 2HD TYR 35 3.662 -8.353 3.400 241 HD2 TYR 35 1HD TYR 35 5.818 -11.466 1.315 242 HE1 TYR 35 2HE TYR 35 3.938 -9.579 5.518 243 HE2 TYR 35 1HE TYR 35 6.010 -12.737 3.376 244 HH TYR 35 HH TYR 35 5.852 -12.616 5.707 245 H TYR 36 H TYR 36 6.928 -8.886 -1.026 246 HA TYR 36 HA TYR 36 6.245 -6.968 -3.191 247 HB2 TYR 36 1HB TYR 36 8.490 -6.583 -2.306 248 HB3 TYR 36 2HB TYR 36 8.886 -8.280 -2.434 249 HD1 TYR 36 2HD TYR 36 9.297 -9.306 -4.738 250 HD2 TYR 36 1HD TYR 36 8.581 -5.116 -4.148 251 HE1 TYR 36 2HE TYR 36 10.263 -8.825 -6.974 252 HE2 TYR 36 1HE TYR 36 9.494 -4.607 -6.378 253 HH TYR 36 HH TYR 36 11.008 -5.517 -7.909 254 H ASP 37 H ASP 37 6.100 -7.977 -5.282 255 HA ASP 37 HA ASP 37 6.271 -10.961 -5.326 256 HB2 ASP 37 1HB ASP 37 3.882 -10.231 -5.241 257 HB3 ASP 37 2HB ASP 37 4.217 -9.231 -6.670 258 HA PRO 38 HA PRO 38 8.990 -9.928 -8.580 259 HB2 PRO 38 1HB PRO 38 8.935 -12.226 -10.177 260 HB3 PRO 38 2HB PRO 38 9.774 -12.093 -8.610 261 HG2 PRO 38 1HG PRO 38 6.925 -13.084 -9.097 262 HG3 PRO 38 2HG PRO 38 8.238 -13.921 -8.174 263 HD2 PRO 38 1HD PRO 38 6.474 -12.537 -6.840 264 HD3 PRO 38 2HD PRO 38 8.191 -12.248 -6.479 265 H ASN 39 H ASN 39 5.660 -10.759 -9.501 266 HA ASN 39 HA ASN 39 6.028 -9.385 -12.124 267 HB2 ASN 39 1HB ASN 39 4.119 -11.439 -10.985 268 HB3 ASN 39 2HB ASN 39 3.567 -10.325 -12.202 269 HD21 ASN 39 1HD2 ASN 39 5.233 -13.330 -11.750 270 HD22 ASN 39 2HD2 ASN 39 5.884 -13.441 -13.357 271 H SER 40 H SER 40 4.762 -9.077 -8.983 272 HA SER 40 HA SER 40 3.383 -6.513 -9.704 273 HB2 SER 40 1HB SER 40 1.686 -8.076 -9.095 274 HB3 SER 40 2HB SER 40 2.529 -8.551 -7.626 275 HG SER 40 HG SER 40 2.159 -6.560 -6.767 276 H GLN 41 H GLN 41 5.480 -5.588 -9.530 277 HA GLN 41 HA GLN 41 6.787 -5.032 -7.089 278 HB2 GLN 41 1HB GLN 41 6.339 -3.242 -9.483 279 HB3 GLN 41 2HB GLN 41 7.411 -2.913 -8.093 280 HG2 GLN 41 1HG GLN 41 8.736 -3.718 -9.863 281 HG3 GLN 41 2HG GLN 41 8.737 -4.832 -8.531 282 HE21 GLN 41 1HE2 GLN 41 9.221 -6.757 -9.522 283 HE22 GLN 41 2HE2 GLN 41 8.249 -7.505 -10.768 284 H TYR 42 H TYR 42 3.522 -4.532 -7.851 285 HA TYR 42 HA TYR 42 3.011 -2.249 -6.125 286 HB2 TYR 42 1HB TYR 42 1.015 -4.358 -7.021 287 HB3 TYR 42 2HB TYR 42 0.703 -2.738 -6.433 288 HD1 TYR 42 1HD TYR 42 1.656 -0.770 -7.816 289 HD2 TYR 42 2HD TYR 42 1.362 -4.779 -9.361 290 HE1 TYR 42 1HE TYR 42 1.764 0.135 -10.070 291 HE2 TYR 42 2HE TYR 42 1.625 -3.908 -11.655 292 HH TYR 42 HH TYR 42 1.648 -0.451 -12.475 293 H TYR 43 H TYR 43 3.761 -2.574 -4.161 294 HA TYR 43 HA TYR 43 4.323 -5.029 -2.865 295 HB2 TYR 43 1HB TYR 43 3.946 -2.143 -1.927 296 HB3 TYR 43 2HB TYR 43 4.432 -3.435 -0.828 297 HD1 TYR 43 2HD TYR 43 5.582 -1.549 -3.850 298 HD2 TYR 43 1HD TYR 43 6.633 -4.239 -0.640 299 HE1 TYR 43 2HE TYR 43 7.949 -1.413 -4.525 300 HE2 TYR 43 1HE TYR 43 8.994 -4.061 -1.250 301 HH TYR 43 HH TYR 43 10.138 -2.052 -4.021 302 H TYR 44 H TYR 44 3.319 -6.069 -1.152 303 HA TYR 44 HA TYR 44 0.401 -5.540 -0.871 304 HB2 TYR 44 1HB TYR 44 0.828 -7.775 -1.558 305 HB3 TYR 44 2HB TYR 44 1.984 -8.039 -0.284 306 HD1 TYR 44 1HD TYR 44 -1.579 -7.000 -0.837 307 HD2 TYR 44 2HD TYR 44 1.234 -8.935 1.793 308 HE1 TYR 44 1HE TYR 44 -3.450 -7.669 0.639 309 HE2 TYR 44 2HE TYR 44 -0.640 -9.648 3.266 310 HH TYR 44 HH TYR 44 -2.905 -9.556 3.649 311 H ASN 45 H ASN 45 -0.202 -4.516 0.743 312 HA ASN 45 HA ASN 45 1.486 -3.884 3.063 313 HB2 ASN 45 1HB ASN 45 0.228 -2.090 1.788 314 HB3 ASN 45 2HB ASN 45 -1.277 -2.803 2.211 315 HD21 ASN 45 1HD2 ASN 45 -2.004 -2.511 4.285 316 HD22 ASN 45 2HD2 ASN 45 -1.227 -1.401 5.487 317 H ALA 46 H ALA 46 1.389 -6.099 3.871 318 HA ALA 46 HA ALA 46 -0.935 -7.551 4.579 319 HB1 ALA 46 1HB ALA 46 0.506 -8.669 6.229 320 HB2 ALA 46 2HB ALA 46 1.392 -8.448 4.711 321 HB3 ALA 46 3HB ALA 46 1.712 -7.382 6.109 322 H GLN 47 H GLN 47 0.670 -4.868 6.213 323 HA GLN 47 HA GLN 47 -0.294 -4.844 8.687 324 HB2 GLN 47 1HB GLN 47 1.176 -3.166 7.080 325 HB3 GLN 47 2HB GLN 47 -0.281 -2.206 7.237 326 HG2 GLN 47 1HG GLN 47 -0.112 -2.399 9.713 327 HG3 GLN 47 2HG GLN 47 1.346 -3.412 9.483 328 HE21 GLN 47 1HE2 GLN 47 0.026 -0.122 8.705 329 HE22 GLN 47 2HE2 GLN 47 1.604 0.646 8.678 330 H SER 48 H SER 48 -2.220 -4.083 5.883 331 HA SER 48 HA SER 48 -4.589 -4.048 7.593 332 HB2 SER 48 1HB SER 48 -3.552 -1.593 6.274 333 HB3 SER 48 2HB SER 48 -5.259 -1.924 5.943 334 HG SER 48 HG SER 48 -5.653 -2.075 8.123 335 H GLN 49 H GLN 49 -3.096 -5.288 4.974 336 HA GLN 49 HA GLN 49 -3.697 -6.609 3.324 337 HB2 GLN 49 1HB GLN 49 -6.614 -6.467 4.153 338 HB3 GLN 49 2HB GLN 49 -5.803 -7.689 3.163 339 HG2 GLN 49 1HG GLN 49 -4.454 -8.387 5.145 340 HG3 GLN 49 2HG GLN 49 -5.260 -7.184 6.130 341 HE21 GLN 49 1HE2 GLN 49 -7.697 -7.391 6.370 342 HE22 GLN 49 2HE2 GLN 49 -8.305 -9.027 6.494 343 H GLN 50 H GLN 50 -2.979 -4.361 2.552 344 HA GLN 50 HA GLN 50 -4.792 -3.653 0.371 345 HB2 GLN 50 1HB GLN 50 -3.557 -1.316 0.448 346 HB3 GLN 50 2HB GLN 50 -4.983 -1.789 1.301 347 HG2 GLN 50 1HG GLN 50 -3.042 -2.282 3.132 348 HG3 GLN 50 2HG GLN 50 -2.726 -0.674 2.453 349 HE21 GLN 50 1HE2 GLN 50 -5.653 -2.689 2.991 350 HE22 GLN 50 2HE2 GLN 50 -6.390 -1.741 4.245 351 H TYR 51 H TYR 51 -3.710 -2.550 -1.575 352 HA TYR 51 HA TYR 51 -0.969 -3.597 -1.988 353 HB2 TYR 51 1HB TYR 51 -3.234 -3.001 -3.948 354 HB3 TYR 51 2HB TYR 51 -1.552 -2.879 -4.423 355 HD1 TYR 51 1HD TYR 51 -3.234 -5.522 -2.290 356 HD2 TYR 51 2HD TYR 51 -1.136 -4.579 -5.938 357 HE1 TYR 51 1HE TYR 51 -3.107 -7.911 -2.818 358 HE2 TYR 51 2HE TYR 51 -1.022 -6.968 -6.498 359 HH TYR 51 HH TYR 51 -2.742 -9.452 -4.768 360 H LEU 52 H LEU 52 0.499 -2.113 -2.800 361 HA LEU 52 HA LEU 52 -0.091 0.770 -2.832 362 HB2 LEU 52 1HB LEU 52 1.979 -0.589 -1.134 363 HB3 LEU 52 2HB LEU 52 1.903 1.119 -1.307 364 HG LEU 52 HG LEU 52 -0.119 -0.657 0.124 365 HD11 LEU 52 1HD1 LEU 52 2.042 -0.270 1.302 366 HD12 LEU 52 2HD1 LEU 52 0.675 0.467 2.138 367 HD13 LEU 52 3HD1 LEU 52 1.772 1.481 1.173 368 HD21 LEU 52 3HD2 LEU 52 -1.376 1.250 -0.729 369 HD22 LEU 52 1HD2 LEU 52 -0.137 2.374 -0.102 370 HD23 LEU 52 2HD2 LEU 52 -1.134 1.420 1.010 371 H TYR 53 H TYR 53 2.322 1.739 -3.317 372 HA TYR 53 HA TYR 53 4.011 -0.179 -4.762 373 HB2 TYR 53 1HB TYR 53 4.596 1.356 -6.518 374 HB3 TYR 53 2HB TYR 53 2.916 0.944 -6.573 375 HD1 TYR 53 1HD TYR 53 1.296 2.773 -5.263 376 HD2 TYR 53 2HD TYR 53 5.120 3.589 -7.091 377 HE1 TYR 53 1HE TYR 53 0.624 5.079 -5.604 378 HE2 TYR 53 2HE TYR 53 4.428 5.923 -7.452 379 HH TYR 53 HH TYR 53 2.837 7.580 -6.965 380 H TRP 54 H TRP 54 6.236 1.212 -5.147 381 HA TRP 54 HA TRP 54 6.851 2.784 -2.712 382 HB2 TRP 54 1HB TRP 54 8.372 0.956 -2.618 383 HB3 TRP 54 2HB TRP 54 8.581 0.921 -4.363 384 HD1 TRP 54 HD TRP 54 10.524 2.242 -5.385 385 HE1 TRP 54 1HE TRP 54 12.329 3.773 -4.537 386 HE3 TRP 54 3HE TRP 54 8.693 3.044 -0.667 387 HZ2 TRP 54 2HZ TRP 54 12.834 5.392 -2.114 388 HZ3 TRP 54 3HZ TRP 54 9.812 4.605 0.862 389 HH2 TRP 54 HH TRP 54 11.886 5.791 0.151 390 H ASP 55 H ASP 55 7.416 4.865 -3.212 391 HA ASP 55 HA ASP 55 7.662 5.628 -6.071 392 HB2 ASP 55 1HB ASP 55 5.465 6.371 -5.303 393 HB3 ASP 55 2HB ASP 55 6.179 7.077 -3.850 394 H GLY 56 H GLY 56 9.653 6.350 -6.358 395 HA2 GLY 56 1HA GLY 56 11.364 7.115 -4.122 396 HA3 GLY 56 2HA GLY 56 11.790 7.051 -5.835 397 H GLU 57 H GLU 57 9.005 8.914 -6.084 398 HA GLU 57 HA GLU 57 10.664 11.271 -6.431 399 HB2 GLU 57 1HB GLU 57 7.626 11.008 -6.465 400 HB3 GLU 57 2HB GLU 57 8.548 12.450 -6.832 401 HG2 GLU 57 1HG GLU 57 9.605 11.274 -8.767 402 HG3 GLU 57 2HG GLU 57 8.569 9.869 -8.448 403 H ARG 58 H ARG 58 8.101 10.209 -4.239 404 HA ARG 58 HA ARG 58 8.728 12.350 -2.274 405 HB2 ARG 58 1HB ARG 58 6.386 10.429 -2.619 406 HB3 ARG 58 2HB ARG 58 6.520 11.645 -1.325 407 HG2 ARG 58 1HG ARG 58 6.653 13.428 -3.033 408 HG3 ARG 58 2HG ARG 58 6.501 12.239 -4.330 409 HD2 ARG 58 1HD ARG 58 4.290 12.100 -4.148 410 HD3 ARG 58 2HD ARG 58 4.347 11.895 -2.396 411 HE ARG 58 HE ARG 58 3.963 14.107 -2.063 412 HH11 ARG 58 1HH1 ARG 58 4.598 13.628 -5.515 413 HH12 ARG 58 2HH1 ARG 58 4.706 15.315 -5.901 414 HH21 ARG 58 1HH2 ARG 58 3.979 16.351 -2.570 415 HH22 ARG 58 2HH2 ARG 58 4.206 16.908 -4.195 416 H ARG 59 H ARG 59 9.916 9.387 -2.862 417 HA ARG 59 HA ARG 59 10.794 7.639 -1.699 418 HB2 ARG 59 1HB ARG 59 11.450 9.881 0.247 419 HB3 ARG 59 2HB ARG 59 12.194 8.285 0.261 420 HG2 ARG 59 1HG ARG 59 13.122 8.655 -1.996 421 HG3 ARG 59 2HG ARG 59 12.339 10.246 -2.065 422 HD2 ARG 59 1HD ARG 59 13.785 10.196 0.398 423 HD3 ARG 59 2HD ARG 59 14.852 9.479 -0.808 424 HE ARG 59 HE ARG 59 13.445 12.064 -1.315 425 HH11 ARG 59 1HH1 ARG 59 16.596 10.457 -1.082 426 HH12 ARG 59 2HH1 ARG 59 17.460 11.959 -0.859 427 HH21 ARG 59 1HH2 ARG 59 14.601 13.901 -1.719 428 HH22 ARG 59 2HH2 ARG 59 16.339 13.932 -1.548 429 H THR 60 H THR 60 8.355 7.083 -1.541 430 HA THR 60 HA THR 60 7.690 6.621 1.285 431 HB THR 60 HB THR 60 6.977 8.935 0.630 432 HG1 THR 60 1HG THR 60 5.180 8.830 1.700 433 HG21 THR 60 3HG2 THR 60 5.040 9.286 -0.769 434 HG22 THR 60 1HG2 THR 60 4.860 7.544 -1.037 435 HG23 THR 60 2HG2 THR 60 6.252 8.395 -1.718 436 H TYR 61 H TYR 61 5.483 5.477 1.348 437 HA TYR 61 HA TYR 61 5.146 3.578 -0.936 438 HB2 TYR 61 1HB TYR 61 4.521 3.189 2.003 439 HB3 TYR 61 2HB TYR 61 4.211 2.031 0.736 440 HD1 TYR 61 2HD TYR 61 6.389 1.240 -0.638 441 HD2 TYR 61 1HD TYR 61 6.487 3.188 3.217 442 HE1 TYR 61 2HE TYR 61 8.475 0.003 -0.058 443 HE2 TYR 61 1HE TYR 61 8.568 2.019 3.757 444 HH TYR 61 HH TYR 61 9.470 -0.448 3.047 445 H VAL 62 H VAL 62 3.347 4.015 -2.028 446 HA VAL 62 HA VAL 62 1.095 5.488 -0.779 447 HB VAL 62 HB VAL 62 1.096 6.411 -3.338 448 HG11 VAL 62 1HG1 VAL 62 0.951 7.842 -1.420 449 HG12 VAL 62 2HG1 VAL 62 2.626 7.515 -0.952 450 HG13 VAL 62 3HG1 VAL 62 2.269 8.433 -2.439 451 HG21 VAL 62 3HG2 VAL 62 3.284 6.980 -4.127 452 HG22 VAL 62 1HG2 VAL 62 4.082 6.281 -2.715 453 HG23 VAL 62 2HG2 VAL 62 3.278 5.227 -3.884 454 HA PRO 63 HA PRO 63 -1.450 2.421 -2.441 455 HB2 PRO 63 1HB PRO 63 -3.805 3.671 -3.113 456 HB3 PRO 63 2HB PRO 63 -3.222 3.440 -1.429 457 HG2 PRO 63 1HG PRO 63 -2.947 5.892 -3.201 458 HG3 PRO 63 2HG PRO 63 -3.473 5.801 -1.489 459 HD2 PRO 63 1HD PRO 63 -0.932 6.447 -2.176 460 HD3 PRO 63 2HD PRO 63 -1.282 5.469 -0.718 461 H ALA 64 H ALA 64 -1.322 1.270 -4.268 462 HA ALA 64 HA ALA 64 -0.897 2.644 -6.845 463 HB1 ALA 64 1HB ALA 64 0.667 0.877 -6.111 464 HB2 ALA 64 2HB ALA 64 -0.673 -0.298 -6.084 465 HB3 ALA 64 3HB ALA 64 -0.141 0.463 -7.626 466 H LEU 65 H LEU 65 -3.546 2.530 -5.570 467 HA LEU 65 HA LEU 65 -5.086 0.503 -7.020 468 HB2 LEU 65 1HB LEU 65 -5.797 2.607 -4.939 469 HB3 LEU 65 2HB LEU 65 -7.022 1.746 -5.851 470 HG LEU 65 HG LEU 65 -5.734 -0.431 -5.102 471 HD11 LEU 65 1HD1 LEU 65 -4.783 -0.218 -2.813 472 HD12 LEU 65 2HD1 LEU 65 -4.835 1.551 -2.985 473 HD13 LEU 65 3HD1 LEU 65 -3.795 0.564 -4.041 474 HD21 LEU 65 3HD2 LEU 65 -8.039 0.219 -4.466 475 HD22 LEU 65 1HD2 LEU 65 -7.374 1.198 -3.133 476 HD23 LEU 65 2HD2 LEU 65 -7.182 -0.572 -3.133 477 H GLU 66 H GLU 66 -6.097 3.951 -6.749 478 HA GLU 66 HA GLU 66 -6.509 4.016 -9.663 479 HB2 GLU 66 1HB GLU 66 -6.688 6.217 -7.569 480 HB3 GLU 66 2HB GLU 66 -7.090 6.384 -9.288 481 HG2 GLU 66 1HG GLU 66 -8.765 4.479 -8.957 482 HG3 GLU 66 2HG GLU 66 -8.520 4.669 -7.214 483 H GLN 67 H GLN 67 -3.984 4.771 -7.358 484 HA GLN 67 HA GLN 67 -2.063 5.748 -7.367 485 HB2 GLN 67 1HB GLN 67 -1.783 4.017 -9.397 486 HB3 GLN 67 2HB GLN 67 -1.593 5.507 -10.331 487 HG2 GLN 67 1HG GLN 67 0.002 6.057 -8.171 488 HG3 GLN 67 2HG GLN 67 0.142 4.304 -8.213 489 HE21 GLN 67 1HE2 GLN 67 0.604 3.473 -10.674 490 HE22 GLN 67 2HE2 GLN 67 1.829 4.405 -11.503 491 H SER 68 H SER 68 -4.360 7.460 -7.627 492 HA SER 68 HA SER 68 -2.810 9.791 -8.174 493 HB2 SER 68 1HB SER 68 -4.455 11.022 -9.512 494 HB3 SER 68 2HB SER 68 -3.675 9.693 -10.379 495 HG SER 68 HG SER 68 -5.459 8.578 -10.439 496 H ALA 69 H ALA 69 -2.976 10.879 -6.474 497 HA ALA 69 HA ALA 69 -3.550 11.898 -4.641 498 HB1 ALA 69 1HB ALA 69 -6.350 12.123 -5.754 499 HB2 ALA 69 2HB ALA 69 -5.564 13.201 -4.598 500 HB3 ALA 69 3HB ALA 69 -4.974 13.127 -6.266 501 H ASP 70 H ASP 70 -5.461 12.134 -2.889 502 HA ASP 70 HA ASP 70 -5.395 9.508 -1.560 503 HB2 ASP 70 1HB ASP 70 -5.696 12.373 -0.607 504 HB3 ASP 70 2HB ASP 70 -6.033 10.983 0.433 505 H GLY 71 H GLY 71 -7.085 8.735 -3.019 506 HA2 GLY 71 1HA GLY 71 -9.812 9.712 -2.532 507 HA3 GLY 71 2HA GLY 71 -9.351 8.289 -3.461 508 H HIS 72 H HIS 72 -7.625 7.237 -1.312 509 HA HIS 72 HA HIS 72 -7.506 6.156 0.632 510 HB2 HIS 72 1HB HIS 72 -8.715 8.382 1.376 511 HB3 HIS 72 2HB HIS 72 -10.077 7.310 1.674 512 HD1 HIS 72 1HD HIS 72 -9.596 5.407 3.691 513 HD2 HIS 72 2HD HIS 72 -6.786 8.499 3.102 514 HE1 HIS 72 1HE HIS 72 -8.227 5.549 5.823 515 H LYS 73 H LYS 73 -9.733 5.447 -1.625 516 HA LYS 73 HA LYS 73 -11.342 3.452 -0.129 517 HB2 LYS 73 1HB LYS 73 -11.699 4.969 -2.739 518 HB3 LYS 73 2HB LYS 73 -12.834 3.740 -2.180 519 HG2 LYS 73 1HG LYS 73 -13.558 4.980 -0.343 520 HG3 LYS 73 2HG LYS 73 -12.142 6.022 -0.334 521 HD2 LYS 73 1HD LYS 73 -12.935 6.951 -2.590 522 HD3 LYS 73 2HD LYS 73 -14.472 6.134 -2.275 523 HE2 LYS 73 1HE LYS 73 -13.068 8.181 -0.501 524 HE3 LYS 73 2HE LYS 73 -14.461 8.529 -1.529 525 HZ1 LYS 73 3HZ LYS 73 -14.938 8.140 0.870 526 HZ2 LYS 73 1HZ LYS 73 -14.465 6.609 0.730 527 HZ3 LYS 73 2HZ LYS 73 -15.794 7.123 -0.114 528 H GLU 74 H GLU 74 -12.174 1.615 -1.772 529 HA GLU 74 HA GLU 74 -9.791 0.385 -3.079 530 HB2 GLU 74 1HB GLU 74 -12.294 -0.739 -1.836 531 HB3 GLU 74 2HB GLU 74 -11.341 -1.699 -2.964 532 HG2 GLU 74 1HG GLU 74 -9.481 -1.827 -1.581 533 HG3 GLU 74 2HG GLU 74 -9.852 -0.345 -0.722 534 H THR 75 H THR 75 -10.681 -1.183 -4.997 535 HA THR 75 HA THR 75 -11.512 0.462 -7.099 536 HB THR 75 HB THR 75 -12.158 -2.435 -7.293 537 HG1 THR 75 1HG THR 75 -10.387 -3.251 -6.730 538 HG21 THR 75 3HG2 THR 75 -11.883 -0.854 -9.219 539 HG22 THR 75 1HG2 THR 75 -10.852 -2.298 -9.301 540 HG23 THR 75 2HG2 THR 75 -10.165 -0.734 -8.797 541 H GLY 76 H GLY 76 -13.293 -1.754 -4.998 542 HA2 GLY 76 1HA GLY 76 -15.879 -0.582 -5.706 543 HA3 GLY 76 2HA GLY 76 -15.647 -2.340 -5.921 544 H ALA 77 H ALA 77 -17.365 -0.983 -4.007 545 HA ALA 77 HA ALA 77 -16.449 -1.898 -1.392 546 HB1 ALA 77 1HB ALA 77 -15.236 0.238 -1.634 547 HB2 ALA 77 2HB ALA 77 -16.718 1.047 -2.197 548 HB3 ALA 77 3HB ALA 77 -16.600 0.475 -0.533 549 HA PRO 78 HA PRO 78 -20.939 -1.718 -1.050 550 HB2 PRO 78 1HB PRO 78 -21.389 -1.677 1.617 551 HB3 PRO 78 2HB PRO 78 -20.601 -3.089 0.853 552 HG2 PRO 78 1HG PRO 78 -19.266 -0.737 2.243 553 HG3 PRO 78 2HG PRO 78 -19.000 -2.488 2.520 554 HD2 PRO 78 1HD PRO 78 -17.410 -0.986 0.867 555 HD3 PRO 78 2HD PRO 78 -17.750 -2.704 0.549 556 H SER 79 H SER 79 -22.671 -0.271 -0.218 557 HA SER 79 HA SER 79 -23.689 1.681 0.171 558 HB2 SER 79 1HB SER 79 -21.155 2.519 1.624 559 HB3 SER 79 2HB SER 79 -22.760 3.268 1.738 560 HG SER 79 HG SER 79 -22.456 1.758 3.406 561 H LYS 80 H LYS 80 -20.371 2.746 -0.791 562 HA LYS 80 HA LYS 80 -21.329 4.914 -2.398 563 HB2 LYS 80 1HB LYS 80 -18.999 4.560 -1.279 564 HB3 LYS 80 2HB LYS 80 -18.622 3.607 -2.722 565 HG2 LYS 80 1HG LYS 80 -19.557 5.816 -3.958 566 HG3 LYS 80 2HG LYS 80 -19.175 6.576 -2.430 567 HD2 LYS 80 1HD LYS 80 -16.831 5.817 -2.642 568 HD3 LYS 80 2HD LYS 80 -17.213 4.971 -4.144 569 HE2 LYS 80 1HE LYS 80 -17.224 7.985 -3.657 570 HE3 LYS 80 2HE LYS 80 -16.090 7.054 -4.642 571 HZ1 LYS 80 3HZ LYS 80 -17.647 8.054 -6.111 572 HZ2 LYS 80 1HZ LYS 80 -18.930 7.558 -5.227 573 HZ3 LYS 80 2HZ LYS 80 -18.017 6.468 -6.076 574 H GLU 81 H GLU 81 -22.600 2.356 -3.176 575 HA GLU 81 HA GLU 81 -22.288 2.814 -6.045 576 HB2 GLU 81 1HB GLU 81 -20.800 0.792 -5.207 577 HB3 GLU 81 2HB GLU 81 -22.344 -0.051 -5.137 578 HG2 GLU 81 1HG GLU 81 -22.625 0.782 -7.639 579 HG3 GLU 81 2HG GLU 81 -20.903 1.166 -7.533 580 H GLY 82 H GLY 82 -24.366 2.499 -3.356 581 HA2 GLY 82 1HA GLY 82 -26.716 2.612 -4.800 582 HA3 GLY 82 2HA GLY 82 -26.415 0.883 -4.760 583 H LYS 83 H LYS 83 -25.468 0.576 -2.054 584 HA LYS 83 HA LYS 83 -28.017 0.794 -0.654 585 HB2 LYS 83 1HB LYS 83 -25.356 -0.524 0.021 586 HB3 LYS 83 2HB LYS 83 -26.708 -0.432 1.164 587 HG2 LYS 83 1HG LYS 83 -28.191 -1.634 -0.335 588 HG3 LYS 83 2HG LYS 83 -27.018 -1.571 -1.639 589 HD2 LYS 83 1HD LYS 83 -27.035 -3.759 -0.841 590 HD3 LYS 83 2HD LYS 83 -25.492 -3.072 -0.360 591 HE2 LYS 83 1HE LYS 83 -27.785 -2.964 1.614 592 HE3 LYS 83 2HE LYS 83 -27.120 -4.553 1.229 593 HZ1 LYS 83 3HZ LYS 83 -24.911 -3.659 1.811 594 HZ2 LYS 83 1HZ LYS 83 -25.952 -3.779 3.065 595 HZ3 LYS 83 2HZ LYS 83 -25.583 -2.307 2.400 596 H GLU 84 H GLU 84 -25.829 2.940 -1.403 597 HA GLU 84 HA GLU 84 -24.429 4.033 0.443 598 HB2 GLU 84 1HB GLU 84 -25.199 4.632 -2.091 599 HB3 GLU 84 2HB GLU 84 -26.119 5.880 -1.298 600 HG2 GLU 84 1HG GLU 84 -23.977 6.592 -0.137 601 HG3 GLU 84 2HG GLU 84 -23.143 5.429 -1.198 602 H LYS 85 H LYS 85 -27.717 5.200 -0.169 603 HA LYS 85 HA LYS 85 -27.739 6.801 2.291 604 HB2 LYS 85 1HB LYS 85 -29.985 6.513 0.251 605 HB3 LYS 85 2HB LYS 85 -29.725 7.795 1.430 606 HG2 LYS 85 1HG LYS 85 -28.744 8.938 -0.258 607 HG3 LYS 85 2HG LYS 85 -27.351 7.943 0.066 608 HD2 LYS 85 1HD LYS 85 -27.525 7.639 -2.214 609 HD3 LYS 85 2HD LYS 85 -28.437 6.252 -1.659 610 HE2 LYS 85 1HE LYS 85 -29.592 7.303 -3.474 611 HE3 LYS 85 2HE LYS 85 -30.562 7.508 -2.001 612 HZ1 LYS 85 3HZ LYS 85 -30.155 9.529 -3.543 613 HZ2 LYS 85 1HZ LYS 85 -28.651 9.570 -2.888 614 HZ3 LYS 85 2HZ LYS 85 -29.947 9.786 -1.923 615 H LYS 86 H LYS 86 -28.329 3.556 1.716 616 HA LYS 86 HA LYS 86 -30.578 3.412 3.677 617 HB2 LYS 86 1HB LYS 86 -31.562 1.658 2.237 618 HB3 LYS 86 2HB LYS 86 -31.515 3.239 1.452 619 HG2 LYS 86 1HG LYS 86 -29.512 2.573 0.157 620 HG3 LYS 86 2HG LYS 86 -29.498 1.012 0.997 621 HD2 LYS 86 1HD LYS 86 -30.572 0.268 -0.804 622 HD3 LYS 86 2HD LYS 86 -32.025 0.957 -0.065 623 HE2 LYS 86 1HE LYS 86 -31.746 3.019 -1.406 624 HE3 LYS 86 2HE LYS 86 -30.153 2.467 -1.951 625 HZ1 LYS 86 3HZ LYS 86 -31.237 0.618 -3.057 626 HZ2 LYS 86 1HZ LYS 86 -31.624 2.085 -3.671 627 HZ3 LYS 86 2HZ LYS 86 -32.720 1.265 -2.739 628 H GLU 87 H GLU 87 -27.556 3.063 3.771 629 HA GLU 87 HA GLU 87 -26.775 0.437 3.739 630 HB2 GLU 87 1HB GLU 87 -25.243 2.300 3.678 631 HB3 GLU 87 2HB GLU 87 -25.761 2.853 5.260 632 HG2 GLU 87 1HG GLU 87 -24.863 0.596 6.178 633 HG3 GLU 87 2HG GLU 87 -24.128 0.374 4.599 634 H LYS 88 H LYS 88 -27.174 2.272 6.762 635 HA LYS 88 HA LYS 88 -28.019 1.840 8.815 636 HB2 LYS 88 1HB LYS 88 -29.728 -0.098 7.264 637 HB3 LYS 88 2HB LYS 88 -29.677 -0.176 9.018 638 HG2 LYS 88 1HG LYS 88 -31.552 1.149 8.231 639 HG3 LYS 88 2HG LYS 88 -30.490 2.068 9.273 640 HD2 LYS 88 1HD LYS 88 -30.240 2.249 6.261 641 HD3 LYS 88 2HD LYS 88 -31.500 3.150 7.090 642 HE2 LYS 88 1HE LYS 88 -28.579 3.418 7.915 643 HE3 LYS 88 2HE LYS 88 -29.268 4.371 6.606 644 HZ1 LYS 88 3HZ LYS 88 -30.762 5.378 8.075 645 HZ2 LYS 88 1HZ LYS 88 -29.285 5.482 8.773 646 HZ3 LYS 88 2HZ LYS 88 -30.332 4.400 9.368 647 H HIS 89 H HIS 89 -26.337 1.464 9.946 648 HA HIS 89 HA HIS 89 -24.733 -0.805 10.040 649 HB2 HIS 89 1HB HIS 89 -24.062 0.012 12.230 650 HB3 HIS 89 2HB HIS 89 -24.225 1.368 11.130 651 HD1 HIS 89 1HD HIS 89 -24.328 1.866 14.240 652 HD2 HIS 89 2HD HIS 89 -27.727 1.102 11.863 653 HE1 HIS 89 1HE HIS 89 -26.317 2.844 15.473 654 H LYS 90 H LYS 90 -24.569 -2.335 11.852 655 HA LYS 90 HA LYS 90 -27.129 -3.165 13.102 656 HB2 LYS 90 1HB LYS 90 -25.003 -5.006 11.872 657 HB3 LYS 90 2HB LYS 90 -26.203 -5.544 13.032 658 HG2 LYS 90 1HG LYS 90 -26.798 -6.197 10.768 659 HG3 LYS 90 2HG LYS 90 -28.027 -5.145 11.472 660 HD2 LYS 90 1HD LYS 90 -27.429 -3.333 10.116 661 HD3 LYS 90 2HD LYS 90 -25.837 -4.020 9.706 662 HE2 LYS 90 1HE LYS 90 -27.037 -5.728 8.329 663 HE3 LYS 90 2HE LYS 90 -28.560 -4.924 8.715 664 HZ1 LYS 90 3HZ LYS 90 -27.542 -2.853 7.781 665 HZ2 LYS 90 1HZ LYS 90 -27.756 -4.053 6.656 666 HZ3 LYS 90 2HZ LYS 90 -26.273 -3.743 7.284 667 H THR 91 H THR 91 -26.586 -4.215 15.288 668 HA THR 91 HA THR 91 -24.085 -3.032 16.324 669 HB THR 91 HB THR 91 -26.397 -2.558 17.232 670 HG1 THR 91 1HG THR 91 -25.369 -1.879 18.760 671 HG21 THR 91 3HG2 THR 91 -27.339 -4.794 17.444 672 HG22 THR 91 1HG2 THR 91 -27.223 -4.007 19.023 673 HG23 THR 91 2HG2 THR 91 -26.043 -5.253 18.573 674 H LYS 92 H LYS 92 -24.909 -5.672 14.837 675 HA LYS 92 HA LYS 92 -24.725 -7.857 14.675 676 HB2 LYS 92 1HB LYS 92 -22.967 -7.869 17.161 677 HB3 LYS 92 2HB LYS 92 -23.486 -9.278 16.245 678 HG2 LYS 92 1HG LYS 92 -21.752 -7.057 15.068 679 HG3 LYS 92 2HG LYS 92 -21.129 -8.506 15.820 680 HD2 LYS 92 1HD LYS 92 -22.386 -9.900 14.161 681 HD3 LYS 92 2HD LYS 92 -22.871 -8.390 13.324 682 HE2 LYS 92 1HE LYS 92 -20.506 -7.812 12.950 683 HE3 LYS 92 2HE LYS 92 -19.989 -9.204 13.901 684 HZ1 LYS 92 3HZ LYS 92 -21.368 -9.318 11.292 685 HZ2 LYS 92 1HZ LYS 92 -20.990 -10.633 12.213 686 HZ3 LYS 92 2HZ LYS 92 -19.801 -9.667 11.607
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