NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
529187 | 2lnd | 18161 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 0.597 5.833 15.279 2 H2 MET 1 2H MET 1 0.522 4.162 15.110 3 H3 MET 1 3H MET 1 0.542 5.138 13.737 4 HA MET 1 HA MET 1 2.754 5.896 14.308 5 HB2 MET 1 2HB MET 1 2.223 5.134 16.843 6 HB3 MET 1 3HB MET 1 2.992 3.641 16.324 7 HG2 MET 1 2HG MET 1 4.633 5.044 17.382 8 HG3 MET 1 3HG MET 1 4.992 4.996 15.648 9 HE1 MET 1 3HE MET 1 5.961 8.677 16.482 10 HE2 MET 1 1HE MET 1 6.455 7.192 15.674 11 HE3 MET 1 2HE MET 1 6.271 7.224 17.427 12 H GLY 2 H GLY 2 4.315 4.931 12.988 13 HA2 GLY 2 2HA GLY 2 5.282 3.399 11.533 14 HA3 GLY 2 3HA GLY 2 4.286 2.123 12.228 15 H LYS 3 H LYS 3 4.664 4.220 9.533 16 HA LYS 3 HA LYS 3 1.785 4.242 8.906 17 HB2 LYS 3 2HB LYS 3 2.815 6.450 9.137 18 HB3 LYS 3 3HB LYS 3 3.997 6.063 7.889 19 HG2 LYS 3 2HG LYS 3 2.305 6.007 6.179 20 HG3 LYS 3 3HG LYS 3 1.004 6.075 7.365 21 HD2 LYS 3 2HD LYS 3 3.008 8.324 6.958 22 HD3 LYS 3 3HD LYS 3 1.471 8.221 6.098 23 HE2 LYS 3 2HE LYS 3 0.336 8.138 8.385 24 HE3 LYS 3 3HE LYS 3 1.903 8.564 9.079 25 HZ1 LYS 3 3HZ LYS 3 1.883 10.594 7.771 26 HZ2 LYS 3 1HZ LYS 3 0.498 10.498 8.737 27 HZ3 LYS 3 2HZ LYS 3 0.399 10.170 7.082 28 H VAL 4 H VAL 4 0.965 3.581 7.012 29 HA VAL 4 HA VAL 4 2.680 2.229 5.001 30 HB VAL 4 HB VAL 4 -0.264 1.647 5.629 31 HG11 VAL 4 1HG1 VAL 4 0.056 -0.389 4.272 32 HG12 VAL 4 2HG1 VAL 4 1.727 0.080 3.944 33 HG13 VAL 4 3HG1 VAL 4 0.398 1.064 3.327 34 HG21 VAL 4 3HG2 VAL 4 1.112 1.022 7.576 35 HG22 VAL 4 1HG2 VAL 4 2.158 0.048 6.539 36 HG23 VAL 4 2HG2 VAL 4 0.468 -0.411 6.772 37 H LEU 5 H LEU 5 2.218 2.713 2.811 38 HA LEU 5 HA LEU 5 0.259 4.834 2.210 39 HB2 LEU 5 2HB LEU 5 2.637 5.172 1.496 40 HB3 LEU 5 3HB LEU 5 2.530 3.726 0.504 41 HG LEU 5 HG LEU 5 0.730 4.841 -0.865 42 HD11 LEU 5 1HD1 LEU 5 -0.139 6.403 0.799 43 HD12 LEU 5 2HD1 LEU 5 0.356 7.258 -0.659 44 HD13 LEU 5 3HD1 LEU 5 1.380 7.307 0.779 45 HD21 LEU 5 3HD2 LEU 5 3.063 4.877 -1.621 46 HD22 LEU 5 1HD2 LEU 5 3.341 6.381 -0.739 47 HD23 LEU 5 2HD2 LEU 5 2.213 6.344 -2.099 48 H LEU 6 H LEU 6 -1.652 4.111 1.462 49 HA LEU 6 HA LEU 6 -1.961 1.361 0.498 50 HB2 LEU 6 2HB LEU 6 -3.377 2.196 2.373 51 HB3 LEU 6 3HB LEU 6 -3.998 3.471 1.336 52 HG LEU 6 HG LEU 6 -5.021 1.683 -0.146 53 HD11 LEU 6 1HD1 LEU 6 -3.579 -0.200 0.419 54 HD12 LEU 6 2HD1 LEU 6 -5.265 -0.600 0.736 55 HD13 LEU 6 3HD1 LEU 6 -4.188 -0.206 2.078 56 HD21 LEU 6 3HD2 LEU 6 -6.904 1.198 1.370 57 HD22 LEU 6 1HD2 LEU 6 -6.382 2.877 1.495 58 HD23 LEU 6 2HD2 LEU 6 -5.935 1.717 2.749 59 H VAL 7 H VAL 7 -1.447 1.365 -1.679 60 HA VAL 7 HA VAL 7 -2.265 3.554 -3.435 61 HB VAL 7 HB VAL 7 -0.675 1.023 -4.080 62 HG11 VAL 7 1HG1 VAL 7 -0.045 2.189 -6.191 63 HG12 VAL 7 2HG1 VAL 7 -1.152 3.504 -5.789 64 HG13 VAL 7 3HG1 VAL 7 -1.784 1.882 -6.100 65 HG21 VAL 7 3HG2 VAL 7 1.312 2.502 -4.083 66 HG22 VAL 7 1HG2 VAL 7 0.527 2.474 -2.500 67 HG23 VAL 7 2HG2 VAL 7 0.305 3.861 -3.572 68 H ILE 8 H ILE 8 -4.351 3.455 -3.898 69 HA ILE 8 HA ILE 8 -5.636 0.996 -4.889 70 HB ILE 8 HB ILE 8 -6.909 3.702 -4.224 71 HG12 ILE 8 2HG1 ILE 8 -6.839 1.176 -2.503 72 HG13 ILE 8 3HG1 ILE 8 -5.914 2.641 -2.189 73 HG21 ILE 8 1HG2 ILE 8 -8.223 2.350 -5.829 74 HG22 ILE 8 2HG2 ILE 8 -9.054 2.485 -4.280 75 HG23 ILE 8 3HG2 ILE 8 -8.214 0.990 -4.701 76 HD11 ILE 8 3HD1 ILE 8 -8.011 3.877 -1.886 77 HD12 ILE 8 1HD1 ILE 8 -7.833 2.534 -0.758 78 HD13 ILE 8 2HD1 ILE 8 -8.916 2.380 -2.141 79 H SER 9 H SER 9 -5.800 0.775 -7.052 80 HA SER 9 HA SER 9 -6.132 3.119 -8.790 81 HB2 SER 9 2HB SER 9 -4.166 0.917 -9.527 82 HB3 SER 9 3HB SER 9 -4.439 2.440 -10.370 83 HG SER 9 HG SER 9 -3.720 3.394 -8.258 84 H THR 10 H THR 10 -7.672 2.779 -10.285 85 HA THR 10 HA THR 10 -9.223 0.393 -10.409 86 HB THR 10 HB THR 10 -9.157 2.753 -12.346 87 HG1 THR 10 HG1 THR 10 -10.501 2.341 -9.873 88 HG21 THR 10 3HG2 THR 10 -10.471 0.851 -13.248 89 HG22 THR 10 1HG2 THR 10 -11.526 2.197 -12.804 90 HG23 THR 10 2HG2 THR 10 -11.406 0.785 -11.753 91 H ASP 11 H ASP 11 -6.391 1.469 -12.041 92 HA ASP 11 HA ASP 11 -6.588 -0.449 -14.266 93 HB2 ASP 11 2HB ASP 11 -4.652 1.830 -13.692 94 HB3 ASP 11 3HB ASP 11 -4.475 0.720 -15.046 95 H THR 12 H THR 12 -6.179 -2.388 -13.319 96 HA THR 12 HA THR 12 -4.374 -2.964 -11.240 97 HB THR 12 HB THR 12 -5.354 -4.957 -13.338 98 HG1 THR 12 HG1 THR 12 -7.249 -4.202 -12.728 99 HG21 THR 12 3HG2 THR 12 -3.759 -5.876 -11.666 100 HG22 THR 12 1HG2 THR 12 -5.382 -6.541 -11.441 101 HG23 THR 12 2HG2 THR 12 -4.788 -5.279 -10.362 102 H ASN 13 H ASN 13 -3.970 -2.890 -14.739 103 HA ASN 13 HA ASN 13 -1.448 -4.141 -15.008 104 HB2 ASN 13 2HB ASN 13 -2.715 -1.949 -16.720 105 HB3 ASN 13 3HB ASN 13 -1.275 -2.860 -17.171 106 HD21 ASN 13 1HD2 ASN 13 -2.365 -3.541 -19.053 107 HD22 ASN 13 2HD2 ASN 13 -3.544 -4.803 -19.006 108 H ILE 14 H ILE 14 -2.401 -0.832 -14.175 109 HA ILE 14 HA ILE 14 0.238 0.304 -14.314 110 HB ILE 14 HB ILE 14 -2.308 1.315 -12.968 111 HG12 ILE 14 2HG1 ILE 14 -2.564 1.198 -15.393 112 HG13 ILE 14 3HG1 ILE 14 -2.412 2.886 -14.930 113 HG21 ILE 14 1HG2 ILE 14 -0.365 2.328 -11.867 114 HG22 ILE 14 2HG2 ILE 14 -1.224 3.531 -12.830 115 HG23 ILE 14 3HG2 ILE 14 0.281 2.832 -13.430 116 HD11 ILE 14 3HD1 ILE 14 -1.201 2.483 -16.948 117 HD12 ILE 14 1HD1 ILE 14 -0.295 1.163 -16.214 118 HD13 ILE 14 2HD1 ILE 14 -0.044 2.822 -15.665 119 H ILE 15 H ILE 15 -1.854 -0.957 -11.719 120 HA ILE 15 HA ILE 15 -0.247 -0.620 -9.475 121 HB ILE 15 HB ILE 15 -2.120 -2.922 -10.195 122 HG12 ILE 15 2HG1 ILE 15 -2.480 -0.487 -8.395 123 HG13 ILE 15 3HG1 ILE 15 -3.196 -0.711 -9.987 124 HG21 ILE 15 1HG2 ILE 15 -2.136 -3.575 -7.804 125 HG22 ILE 15 2HG2 ILE 15 -0.878 -2.385 -7.471 126 HG23 ILE 15 3HG2 ILE 15 -0.529 -3.765 -8.512 127 HD11 ILE 15 3HD1 ILE 15 -3.816 -2.295 -7.502 128 HD12 ILE 15 1HD1 ILE 15 -4.509 -2.592 -9.101 129 HD13 ILE 15 2HD1 ILE 15 -4.824 -1.068 -8.268 130 H SER 16 H SER 16 -0.226 -3.253 -11.865 131 HA SER 16 HA SER 16 1.772 -4.872 -10.732 132 HB2 SER 16 2HB SER 16 0.988 -4.601 -13.669 133 HB3 SER 16 3HB SER 16 1.823 -5.975 -12.934 134 HG SER 16 HG SER 16 -0.350 -5.570 -11.514 135 H SER 17 H SER 17 1.949 -2.243 -13.131 136 HA SER 17 HA SER 17 4.674 -2.486 -13.832 137 HB2 SER 17 2HB SER 17 2.874 -0.027 -13.943 138 HB3 SER 17 3HB SER 17 4.421 -0.201 -14.784 139 HG SER 17 HG SER 17 2.387 -2.114 -15.140 140 H VAL 18 H VAL 18 3.100 -0.240 -11.567 141 HA VAL 18 HA VAL 18 5.414 1.126 -10.669 142 HB VAL 18 HB VAL 18 2.711 0.783 -9.274 143 HG11 VAL 18 1HG1 VAL 18 3.259 2.860 -8.042 144 HG12 VAL 18 2HG1 VAL 18 4.858 2.886 -8.788 145 HG13 VAL 18 3HG1 VAL 18 4.422 1.579 -7.685 146 HG21 VAL 18 3HG2 VAL 18 3.658 3.026 -11.092 147 HG22 VAL 18 1HG2 VAL 18 2.075 2.896 -10.322 148 HG23 VAL 18 2HG2 VAL 18 2.549 1.737 -11.564 149 H GLN 19 H GLN 19 3.619 -1.624 -9.414 150 HA GLN 19 HA GLN 19 4.788 -2.078 -6.946 151 HB2 GLN 19 2HB GLN 19 2.793 -3.233 -7.769 152 HB3 GLN 19 3HB GLN 19 3.735 -4.043 -9.012 153 HG2 GLN 19 2HG GLN 19 4.968 -5.261 -7.219 154 HG3 GLN 19 3HG GLN 19 3.915 -4.497 -6.023 155 HE21 GLN 19 1HE2 GLN 19 1.510 -4.644 -7.720 156 HE22 GLN 19 2HE2 GLN 19 1.048 -6.304 -7.744 157 H GLU 20 H GLU 20 5.660 -3.607 -10.063 158 HA GLU 20 HA GLU 20 7.918 -5.000 -9.041 159 HB2 GLU 20 2HB GLU 20 7.106 -4.381 -11.908 160 HB3 GLU 20 3HB GLU 20 8.376 -5.512 -11.449 161 HG2 GLU 20 2HG GLU 20 5.421 -5.769 -10.806 162 HG3 GLU 20 3HG GLU 20 6.315 -6.697 -12.009 163 H ARG 21 H ARG 21 7.521 -1.822 -10.504 164 HA ARG 21 HA ARG 21 10.279 -1.329 -11.076 165 HB2 ARG 21 2HB ARG 21 8.421 -0.159 -12.209 166 HB3 ARG 21 3HB ARG 21 7.965 0.617 -10.698 167 HG2 ARG 21 2HG ARG 21 9.725 2.129 -10.774 168 HG3 ARG 21 3HG ARG 21 10.780 1.025 -11.653 169 HD2 ARG 21 2HD ARG 21 8.455 2.600 -12.808 170 HD3 ARG 21 3HD ARG 21 10.177 2.888 -13.091 171 HE ARG 21 HE ARG 21 8.883 0.348 -13.886 172 HH11 ARG 21 1HH1 ARG 21 10.755 3.165 -14.859 173 HH12 ARG 21 2HH1 ARG 21 11.078 2.532 -16.440 174 HH21 ARG 21 1HH2 ARG 21 9.324 -0.458 -15.910 175 HH22 ARG 21 2HH2 ARG 21 10.263 0.469 -17.038 176 H ALA 22 H ALA 22 8.152 -0.665 -8.340 177 HA ALA 22 HA ALA 22 10.098 0.809 -6.810 178 HB1 ALA 22 3HB ALA 22 8.391 0.768 -5.038 179 HB2 ALA 22 1HB ALA 22 7.430 -0.381 -5.978 180 HB3 ALA 22 2HB ALA 22 7.692 1.257 -6.582 181 H LYS 23 H LYS 23 9.011 -2.553 -7.012 182 HA LYS 23 HA LYS 23 10.550 -3.582 -4.827 183 HB2 LYS 23 2HB LYS 23 9.343 -4.898 -7.291 184 HB3 LYS 23 3HB LYS 23 10.238 -5.813 -6.079 185 HG2 LYS 23 2HG LYS 23 8.604 -5.295 -4.378 186 HG3 LYS 23 3HG LYS 23 7.771 -4.171 -5.454 187 HD2 LYS 23 2HD LYS 23 6.574 -6.335 -5.268 188 HD3 LYS 23 3HD LYS 23 7.089 -5.996 -6.921 189 HE2 LYS 23 2HE LYS 23 9.047 -7.517 -6.575 190 HE3 LYS 23 3HE LYS 23 8.426 -7.903 -4.968 191 HZ1 LYS 23 3HZ LYS 23 7.821 -9.546 -6.670 192 HZ2 LYS 23 1HZ LYS 23 6.948 -8.359 -7.502 193 HZ3 LYS 23 2HZ LYS 23 6.470 -8.833 -5.953 194 H HIS 24 H HIS 24 11.258 -2.854 -8.192 195 HA HIS 24 HA HIS 24 13.783 -4.124 -8.372 196 HB2 HIS 24 2HB HIS 24 12.651 -3.415 -10.395 197 HB3 HIS 24 3HB HIS 24 12.579 -1.747 -9.846 198 HD1 HIS 24 HD1 HIS 24 14.404 -0.257 -10.642 199 HD2 HIS 24 HD2 HIS 24 15.425 -4.271 -10.984 200 HE1 HIS 24 HE1 HIS 24 16.603 -0.293 -11.845 201 HE2 HIS 24 HE2 HIS 24 17.276 -2.714 -11.884 202 H ASN 25 H ASN 25 12.791 -0.829 -7.450 203 HA ASN 25 HA ASN 25 15.486 0.145 -7.067 204 HB2 ASN 25 2HB ASN 25 12.798 1.405 -6.361 205 HB3 ASN 25 3HB ASN 25 14.347 2.246 -6.324 206 HD21 ASN 25 1HD2 ASN 25 11.934 2.809 -7.898 207 HD22 ASN 25 2HD2 ASN 25 12.427 2.797 -9.552 208 H TYR 26 H TYR 26 12.831 -0.870 -4.967 209 HA TYR 26 HA TYR 26 14.517 -0.614 -2.527 210 HB2 TYR 26 2HB TYR 26 11.464 -0.367 -2.729 211 HB3 TYR 26 3HB TYR 26 12.427 -0.163 -1.268 212 HD1 TYR 26 HD1 TYR 26 13.958 1.836 -1.046 213 HD2 TYR 26 HD2 TYR 26 11.221 1.440 -4.306 214 HE1 TYR 26 HE1 TYR 26 14.237 4.215 -1.572 215 HE2 TYR 26 HE2 TYR 26 11.491 3.811 -4.822 216 HH TYR 26 HH TYR 26 13.998 5.718 -3.437 217 HA PRO 27 HA PRO 27 13.806 -4.993 -1.622 218 HB2 PRO 27 2HB PRO 27 12.635 -4.135 1.034 219 HB3 PRO 27 3HB PRO 27 13.906 -5.334 0.694 220 HG2 PRO 27 2HG PRO 27 14.554 -2.949 1.673 221 HG3 PRO 27 3HG PRO 27 15.564 -3.712 0.421 222 HD2 PRO 27 2HD PRO 27 13.584 -1.463 0.137 223 HD3 PRO 27 3HD PRO 27 15.152 -1.698 -0.671 224 H GLY 28 H GLY 28 12.184 -6.350 -2.155 225 HA2 GLY 28 2HA GLY 28 9.529 -5.420 -2.713 226 HA3 GLY 28 3HA GLY 28 10.136 -7.057 -2.895 227 H ARG 29 H ARG 29 10.668 -5.895 0.235 228 HA ARG 29 HA ARG 29 8.365 -7.269 1.403 229 HB2 ARG 29 2HB ARG 29 10.807 -5.987 2.722 230 HB3 ARG 29 3HB ARG 29 9.612 -7.022 3.509 231 HG2 ARG 29 2HG ARG 29 10.318 -8.927 2.100 232 HG3 ARG 29 3HG ARG 29 11.507 -7.896 1.295 233 HD2 ARG 29 2HD ARG 29 12.542 -9.310 3.047 234 HD3 ARG 29 3HD ARG 29 12.709 -7.586 3.407 235 HE ARG 29 HE ARG 29 10.426 -8.932 4.598 236 HH11 ARG 29 1HH1 ARG 29 13.737 -7.885 5.136 237 HH12 ARG 29 2HH1 ARG 29 13.581 -7.930 6.866 238 HH21 ARG 29 1HH2 ARG 29 10.215 -8.903 6.833 239 HH22 ARG 29 2HH2 ARG 29 11.586 -8.506 7.824 240 H TYR 30 H TYR 30 9.934 -4.090 1.208 241 HA TYR 30 HA TYR 30 8.064 -2.630 2.798 242 HB2 TYR 30 2HB TYR 30 10.212 -1.809 0.804 243 HB3 TYR 30 3HB TYR 30 9.146 -0.608 1.535 244 HD1 TYR 30 HD2 TYR 30 11.700 -3.222 2.357 245 HD2 TYR 30 HD1 TYR 30 9.522 0.163 3.767 246 HE1 TYR 30 HE2 TYR 30 13.089 -3.166 4.384 247 HE2 TYR 30 HE1 TYR 30 10.892 0.219 5.795 248 HH TYR 30 HH TYR 30 13.762 -1.547 6.141 249 H ILE 31 H ILE 31 8.211 -3.565 -0.554 250 HA ILE 31 HA ILE 31 5.605 -2.287 -1.098 251 HB ILE 31 HB ILE 31 7.568 -3.716 -2.957 252 HG12 ILE 31 2HG1 ILE 31 7.523 -1.451 -4.164 253 HG13 ILE 31 3HG1 ILE 31 6.650 -0.808 -2.781 254 HG21 ILE 31 1HG2 ILE 31 5.988 -3.183 -4.822 255 HG22 ILE 31 2HG2 ILE 31 4.798 -2.657 -3.630 256 HG23 ILE 31 3HG2 ILE 31 5.317 -4.341 -3.670 257 HD11 ILE 31 3HD1 ILE 31 8.572 -1.262 -1.355 258 HD12 ILE 31 1HD1 ILE 31 9.014 -0.248 -2.727 259 HD13 ILE 31 2HD1 ILE 31 9.437 -1.961 -2.728 260 H ARG 32 H ARG 32 3.854 -3.462 -0.851 261 HA ARG 32 HA ARG 32 3.856 -6.406 -0.746 262 HB2 ARG 32 2HB ARG 32 4.029 -5.551 1.560 263 HB3 ARG 32 3HB ARG 32 2.735 -4.396 1.281 264 HG2 ARG 32 2HG ARG 32 1.881 -6.185 2.637 265 HG3 ARG 32 3HG ARG 32 1.136 -6.309 1.044 266 HD2 ARG 32 2HD ARG 32 2.616 -8.155 0.456 267 HD3 ARG 32 3HD ARG 32 3.506 -7.969 1.973 268 HE ARG 32 HE ARG 32 0.621 -8.660 1.956 269 HH11 ARG 32 1HH1 ARG 32 3.915 -9.477 2.891 270 HH12 ARG 32 2HH1 ARG 32 3.426 -10.787 3.909 271 HH21 ARG 32 1HH2 ARG 32 0.009 -10.349 3.332 272 HH22 ARG 32 2HH2 ARG 32 1.215 -11.283 4.162 273 H THR 33 H THR 33 1.761 -7.281 -1.331 274 HA THR 33 HA THR 33 -0.255 -5.329 -2.314 275 HB THR 33 HB THR 33 -1.104 -7.144 -3.817 276 HG1 THR 33 HG1 THR 33 -0.425 -9.098 -3.448 277 HG21 THR 33 3HG2 THR 33 0.705 -7.076 -5.480 278 HG22 THR 33 1HG2 THR 33 1.831 -6.506 -4.247 279 HG23 THR 33 2HG2 THR 33 0.472 -5.491 -4.738 280 H ALA 34 H ALA 34 -2.342 -5.623 -1.731 281 HA ALA 34 HA ALA 34 -3.033 -7.716 0.228 282 HB1 ALA 34 3HB ALA 34 -3.638 -5.430 0.890 283 HB2 ALA 34 1HB ALA 34 -5.082 -6.406 0.615 284 HB3 ALA 34 2HB ALA 34 -4.570 -5.219 -0.595 285 H THR 35 H THR 35 -4.205 -9.385 -0.445 286 HA THR 35 HA THR 35 -5.670 -9.278 -3.025 287 HB THR 35 HB THR 35 -3.565 -10.533 -3.307 288 HG1 THR 35 HG1 THR 35 -5.989 -11.453 -3.840 289 HG21 THR 35 3HG2 THR 35 -4.580 -12.411 -1.133 290 HG22 THR 35 1HG2 THR 35 -3.203 -11.308 -0.978 291 HG23 THR 35 2HG2 THR 35 -3.138 -12.650 -2.119 292 H SER 36 H SER 36 -6.071 -9.385 0.184 293 HA SER 36 HA SER 36 -8.681 -10.431 0.266 294 HB2 SER 36 2HB SER 36 -7.637 -12.647 0.042 295 HB3 SER 36 3HB SER 36 -6.500 -12.296 1.342 296 HG SER 36 HG SER 36 -8.540 -13.590 1.757 297 H SER 37 H SER 37 -9.602 -10.288 2.381 298 HA SER 37 HA SER 37 -8.729 -8.312 4.139 299 HB2 SER 37 2HB SER 37 -10.536 -10.682 4.817 300 HB3 SER 37 3HB SER 37 -10.477 -9.129 5.660 301 HG SER 37 HG SER 37 -11.580 -8.218 4.098 302 H GLN 38 H GLN 38 -8.192 -11.811 4.144 303 HA GLN 38 HA GLN 38 -7.111 -12.060 6.753 304 HB2 GLN 38 2HB GLN 38 -6.686 -13.895 4.355 305 HB3 GLN 38 3HB GLN 38 -6.368 -14.305 6.038 306 HG2 GLN 38 2HG GLN 38 -9.064 -13.801 4.749 307 HG3 GLN 38 3HG GLN 38 -8.449 -15.329 5.374 308 HE21 GLN 38 1HE2 GLN 38 -8.331 -15.608 7.669 309 HE22 GLN 38 2HE2 GLN 38 -9.258 -14.624 8.742 310 H ASP 39 H ASP 39 -5.572 -11.628 3.539 311 HA ASP 39 HA ASP 39 -2.888 -11.762 4.286 312 HB2 ASP 39 2HB ASP 39 -3.829 -11.637 1.897 313 HB3 ASP 39 3HB ASP 39 -4.040 -9.912 2.140 314 H ILE 40 H ILE 40 -5.082 -8.997 4.049 315 HA ILE 40 HA ILE 40 -3.427 -6.911 4.831 316 HB ILE 40 HB ILE 40 -6.426 -7.286 5.161 317 HG12 ILE 40 2HG1 ILE 40 -4.751 -5.714 3.148 318 HG13 ILE 40 3HG1 ILE 40 -5.550 -7.252 2.840 319 HG21 ILE 40 1HG2 ILE 40 -6.618 -4.845 5.531 320 HG22 ILE 40 2HG2 ILE 40 -4.860 -4.716 5.591 321 HG23 ILE 40 3HG2 ILE 40 -5.719 -5.627 6.834 322 HD11 ILE 40 3HD1 ILE 40 -7.722 -6.150 3.177 323 HD12 ILE 40 1HD1 ILE 40 -6.782 -5.466 1.852 324 HD13 ILE 40 2HD1 ILE 40 -6.880 -4.611 3.390 325 H ARG 41 H ARG 41 -5.404 -9.052 6.906 326 HA ARG 41 HA ARG 41 -4.970 -7.836 9.379 327 HB2 ARG 41 2HB ARG 41 -5.224 -10.833 8.847 328 HB3 ARG 41 3HB ARG 41 -5.400 -10.062 10.421 329 HG2 ARG 41 2HG ARG 41 -7.219 -9.654 8.029 330 HG3 ARG 41 3HG ARG 41 -7.581 -10.623 9.456 331 HD2 ARG 41 2HD ARG 41 -7.099 -7.622 9.452 332 HD3 ARG 41 3HD ARG 41 -8.681 -8.395 9.506 333 HE ARG 41 HE ARG 41 -6.762 -8.132 11.672 334 HH11 ARG 41 1HH1 ARG 41 -9.686 -9.786 10.584 335 HH12 ARG 41 2HH1 ARG 41 -10.179 -10.213 12.194 336 HH21 ARG 41 1HH2 ARG 41 -7.442 -8.682 13.762 337 HH22 ARG 41 2HH2 ARG 41 -8.907 -9.584 13.988 338 H ASP 42 H ASP 42 -2.970 -10.210 7.649 339 HA ASP 42 HA ASP 42 -0.984 -10.544 9.661 340 HB2 ASP 42 2HB ASP 42 -1.434 -12.197 7.819 341 HB3 ASP 42 3HB ASP 42 -0.736 -11.065 6.663 342 H ILE 43 H ILE 43 -1.382 -8.263 6.978 343 HA ILE 43 HA ILE 43 1.212 -7.117 6.951 344 HB ILE 43 HB ILE 43 -1.508 -5.941 6.199 345 HG12 ILE 43 2HG1 ILE 43 0.695 -7.061 4.398 346 HG13 ILE 43 3HG1 ILE 43 -0.760 -7.937 4.863 347 HG21 ILE 43 1HG2 ILE 43 0.039 -4.090 6.660 348 HG22 ILE 43 2HG2 ILE 43 -0.315 -4.190 4.935 349 HG23 ILE 43 3HG2 ILE 43 1.224 -4.789 5.554 350 HD11 ILE 43 3HD1 ILE 43 -0.990 -7.054 2.640 351 HD12 ILE 43 1HD1 ILE 43 -0.641 -5.420 3.205 352 HD13 ILE 43 2HD1 ILE 43 -2.122 -6.235 3.716 353 H ILE 44 H ILE 44 -1.768 -6.157 8.620 354 HA ILE 44 HA ILE 44 -0.658 -3.871 9.942 355 HB ILE 44 HB ILE 44 -3.307 -5.347 10.291 356 HG12 ILE 44 2HG1 ILE 44 -2.590 -2.781 8.785 357 HG13 ILE 44 3HG1 ILE 44 -2.914 -4.343 8.039 358 HG21 ILE 44 1HG2 ILE 44 -2.808 -4.075 12.353 359 HG22 ILE 44 2HG2 ILE 44 -4.147 -3.340 11.469 360 HG23 ILE 44 3HG2 ILE 44 -2.539 -2.617 11.394 361 HD11 ILE 44 3HD1 ILE 44 -4.794 -2.874 7.816 362 HD12 ILE 44 1HD1 ILE 44 -4.880 -2.650 9.562 363 HD13 ILE 44 2HD1 ILE 44 -5.215 -4.234 8.855 364 H LYS 45 H LYS 45 -1.077 -7.269 10.803 365 HA LYS 45 HA LYS 45 -0.485 -7.238 13.536 366 HB2 LYS 45 2HB LYS 45 0.080 -9.246 11.345 367 HB3 LYS 45 3HB LYS 45 0.714 -9.528 12.962 368 HG2 LYS 45 2HG LYS 45 -1.499 -9.618 13.904 369 HG3 LYS 45 3HG LYS 45 -2.227 -9.084 12.390 370 HD2 LYS 45 2HD LYS 45 -2.541 -11.506 12.753 371 HD3 LYS 45 3HD LYS 45 -1.608 -11.182 11.297 372 HE2 LYS 45 2HE LYS 45 -0.251 -11.880 13.919 373 HE3 LYS 45 3HE LYS 45 -0.845 -13.125 12.826 374 HZ1 LYS 45 3HZ LYS 45 1.430 -12.786 12.356 375 HZ2 LYS 45 1HZ LYS 45 1.262 -11.108 12.266 376 HZ3 LYS 45 2HZ LYS 45 0.579 -12.091 11.074 377 H SER 46 H SER 46 1.715 -7.196 10.728 378 HA SER 46 HA SER 46 4.162 -7.149 12.173 379 HB2 SER 46 2HB SER 46 3.994 -7.826 9.777 380 HB3 SER 46 3HB SER 46 3.584 -6.165 9.346 381 HG SER 46 HG SER 46 5.961 -6.863 10.722 382 H MET 47 H MET 47 2.078 -4.611 10.787 383 HA MET 47 HA MET 47 4.089 -2.592 10.902 384 HB2 MET 47 2HB MET 47 1.112 -2.434 10.329 385 HB3 MET 47 3HB MET 47 2.206 -1.058 10.203 386 HG2 MET 47 2HG MET 47 2.332 -3.603 8.576 387 HG3 MET 47 3HG MET 47 1.843 -2.006 8.009 388 HE1 MET 47 3HE MET 47 3.566 0.108 8.007 389 HE2 MET 47 1HE MET 47 5.289 -0.051 8.337 390 HE3 MET 47 2HE MET 47 4.123 -0.226 9.647 391 H LYS 48 H LYS 48 2.006 -3.722 13.368 392 HA LYS 48 HA LYS 48 1.573 -1.345 14.845 393 HB2 LYS 48 2HB LYS 48 1.912 -4.174 15.919 394 HB3 LYS 48 3HB LYS 48 1.267 -2.804 16.822 395 HG2 LYS 48 2HG LYS 48 -0.577 -2.673 15.069 396 HG3 LYS 48 3HG LYS 48 0.008 -4.231 14.467 397 HD2 LYS 48 2HD LYS 48 -1.042 -3.642 17.264 398 HD3 LYS 48 3HD LYS 48 -1.877 -4.551 16.003 399 HE2 LYS 48 2HE LYS 48 0.699 -5.384 17.387 400 HE3 LYS 48 3HE LYS 48 -0.906 -6.055 17.681 401 HZ1 LYS 48 3HZ LYS 48 0.634 -6.227 15.157 402 HZ2 LYS 48 1HZ LYS 48 -0.942 -6.797 15.368 403 HZ3 LYS 48 2HZ LYS 48 0.329 -7.482 16.243 404 H ASP 49 H ASP 49 4.161 -3.792 15.026 405 HA ASP 49 HA ASP 49 5.752 -2.093 16.849 406 HB2 ASP 49 2HB ASP 49 6.272 -4.967 15.956 407 HB3 ASP 49 3HB ASP 49 7.144 -4.092 17.214 408 H ASN 50 H ASN 50 5.719 -3.424 13.630 409 HA ASN 50 HA ASN 50 8.386 -2.779 12.835 410 HB2 ASN 50 2HB ASN 50 7.118 -4.506 11.667 411 HB3 ASN 50 3HB ASN 50 5.836 -3.371 11.279 412 HD21 ASN 50 1HD2 ASN 50 5.992 -3.931 9.123 413 HD22 ASN 50 2HD2 ASN 50 7.282 -3.398 8.116 414 H GLY 51 H GLY 51 8.894 -0.675 13.252 415 HA2 GLY 51 2HA GLY 51 7.062 1.527 12.600 416 HA3 GLY 51 3HA GLY 51 8.514 1.615 13.583 417 H LYS 52 H LYS 52 8.143 0.289 10.302 418 HA LYS 52 HA LYS 52 9.731 2.535 9.199 419 HB2 LYS 52 2HB LYS 52 9.919 -0.402 8.366 420 HB3 LYS 52 3HB LYS 52 10.704 0.931 7.532 421 HG2 LYS 52 2HG LYS 52 12.505 0.290 8.793 422 HG3 LYS 52 3HG LYS 52 11.754 1.338 9.991 423 HD2 LYS 52 2HD LYS 52 12.180 -0.574 11.263 424 HD3 LYS 52 3HD LYS 52 10.514 -0.865 10.762 425 HE2 LYS 52 2HE LYS 52 13.014 -2.063 9.511 426 HE3 LYS 52 3HE LYS 52 11.846 -2.904 10.523 427 HZ1 LYS 52 3HZ LYS 52 11.386 -1.827 7.794 428 HZ2 LYS 52 1HZ LYS 52 10.173 -2.490 8.771 429 HZ3 LYS 52 2HZ LYS 52 11.459 -3.448 8.252 430 HA PRO 53 HA PRO 53 6.319 3.212 6.491 431 HB2 PRO 53 2HB PRO 53 7.459 4.080 4.141 432 HB3 PRO 53 3HB PRO 53 7.487 5.043 5.631 433 HG2 PRO 53 2HG PRO 53 9.647 3.284 4.497 434 HG3 PRO 53 3HG PRO 53 9.774 4.933 5.159 435 HD2 PRO 53 2HD PRO 53 10.422 2.757 6.639 436 HD3 PRO 53 3HD PRO 53 9.690 4.201 7.374 437 H LEU 54 H LEU 54 4.973 1.884 5.394 438 HA LEU 54 HA LEU 54 6.111 -0.235 3.643 439 HB2 LEU 54 2HB LEU 54 4.821 -0.826 5.860 440 HB3 LEU 54 3HB LEU 54 3.383 -0.365 4.967 441 HG LEU 54 HG LEU 54 4.017 -2.117 3.221 442 HD11 LEU 54 1HD1 LEU 54 5.614 -3.857 3.853 443 HD12 LEU 54 2HD1 LEU 54 6.030 -2.966 5.320 444 HD13 LEU 54 3HD1 LEU 54 6.397 -2.281 3.734 445 HD21 LEU 54 3HD2 LEU 54 2.277 -2.552 4.893 446 HD22 LEU 54 1HD2 LEU 54 3.494 -3.159 6.019 447 HD23 LEU 54 2HD2 LEU 54 3.180 -4.014 4.506 448 H VAL 55 H VAL 55 4.418 -0.939 1.940 449 HA VAL 55 HA VAL 55 2.674 1.192 0.951 450 HB VAL 55 HB VAL 55 4.849 -0.002 -0.862 451 HG11 VAL 55 1HG1 VAL 55 3.954 1.528 -2.594 452 HG12 VAL 55 2HG1 VAL 55 2.687 2.051 -1.481 453 HG13 VAL 55 3HG1 VAL 55 2.727 0.380 -2.051 454 HG21 VAL 55 3HG2 VAL 55 5.812 1.721 0.634 455 HG22 VAL 55 1HG2 VAL 55 4.589 2.877 0.102 456 HG23 VAL 55 2HG2 VAL 55 5.792 2.269 -1.041 457 H VAL 56 H VAL 56 0.811 0.028 0.863 458 HA VAL 56 HA VAL 56 0.862 -2.771 -0.100 459 HB VAL 56 HB VAL 56 -1.233 -1.340 1.609 460 HG11 VAL 56 1HG1 VAL 56 -1.248 -4.207 0.573 461 HG12 VAL 56 2HG1 VAL 56 -2.358 -2.922 0.091 462 HG13 VAL 56 3HG1 VAL 56 -2.392 -3.541 1.743 463 HG21 VAL 56 3HG2 VAL 56 0.652 -3.636 2.289 464 HG22 VAL 56 1HG2 VAL 56 -0.569 -2.952 3.367 465 HG23 VAL 56 2HG2 VAL 56 0.807 -1.972 2.857 466 H PHE 57 H PHE 57 0.365 -2.942 -2.150 467 HA PHE 57 HA PHE 57 -1.337 -1.093 -3.621 468 HB2 PHE 57 2HB PHE 57 0.243 -3.579 -4.444 469 HB3 PHE 57 3HB PHE 57 -0.794 -2.692 -5.553 470 HD1 PHE 57 HD2 PHE 57 2.296 -2.405 -3.467 471 HD2 PHE 57 HD1 PHE 57 -0.020 -0.719 -6.647 472 HE1 PHE 57 HE2 PHE 57 4.151 -0.894 -4.037 473 HE2 PHE 57 HE1 PHE 57 1.843 0.777 -7.204 474 HZ PHE 57 HZ PHE 57 3.929 0.696 -5.898 475 H VAL 58 H VAL 58 -3.483 -1.438 -3.694 476 HA VAL 58 HA VAL 58 -4.742 -3.889 -2.815 477 HB VAL 58 HB VAL 58 -5.994 -1.458 -4.198 478 HG11 VAL 58 1HG1 VAL 58 -7.346 -3.703 -2.640 479 HG12 VAL 58 2HG1 VAL 58 -7.433 -3.454 -4.386 480 HG13 VAL 58 3HG1 VAL 58 -8.152 -2.273 -3.292 481 HG21 VAL 58 3HG2 VAL 58 -6.676 -0.723 -1.936 482 HG22 VAL 58 1HG2 VAL 58 -4.918 -0.814 -2.079 483 HG23 VAL 58 2HG2 VAL 58 -5.802 -2.081 -1.224 484 H ASN 59 H ASN 59 -3.829 -5.425 -4.255 485 HA ASN 59 HA ASN 59 -4.449 -5.169 -7.139 486 HB2 ASN 59 2HB ASN 59 -2.057 -5.435 -6.558 487 HB3 ASN 59 3HB ASN 59 -2.420 -6.913 -5.668 488 HD21 ASN 59 1HD2 ASN 59 -1.140 -8.239 -6.936 489 HD22 ASN 59 2HD2 ASN 59 -1.511 -8.629 -8.576 490 H GLY 60 H GLY 60 -6.460 -6.050 -7.416 491 HA2 GLY 60 2HA GLY 60 -7.846 -7.845 -7.922 492 HA3 GLY 60 3HA GLY 60 -6.789 -8.927 -7.028 493 H ALA 61 H ALA 61 -6.938 -6.971 -4.686 494 HA ALA 61 HA ALA 61 -9.164 -8.077 -3.276 495 HB1 ALA 61 3HB ALA 61 -7.017 -7.467 -2.198 496 HB2 ALA 61 1HB ALA 61 -8.391 -6.659 -1.440 497 HB3 ALA 61 2HB ALA 61 -7.335 -5.765 -2.539 498 H SER 62 H SER 62 -10.642 -6.446 -2.053 499 HA SER 62 HA SER 62 -11.937 -4.681 -4.057 500 HB2 SER 62 2HB SER 62 -13.299 -6.598 -2.107 501 HB3 SER 62 3HB SER 62 -14.099 -5.591 -3.325 502 HG SER 62 HG SER 62 -12.262 -6.968 -4.592 503 H GLN 63 H GLN 63 -13.650 -3.275 -2.988 504 HA GLN 63 HA GLN 63 -12.282 -1.475 -1.326 505 HB2 GLN 63 2HB GLN 63 -14.032 -0.822 -2.997 506 HB3 GLN 63 3HB GLN 63 -15.268 -1.498 -1.941 507 HG2 GLN 63 2HG GLN 63 -15.141 0.954 -1.738 508 HG3 GLN 63 3HG GLN 63 -14.755 0.159 -0.214 509 HE21 GLN 63 1HE2 GLN 63 -12.511 0.521 -2.961 510 HE22 GLN 63 2HE2 GLN 63 -11.429 1.589 -2.148 511 H ASN 64 H ASN 64 -14.473 -4.080 -0.506 512 HA ASN 64 HA ASN 64 -15.270 -3.269 2.067 513 HB2 ASN 64 2HB ASN 64 -15.793 -5.652 2.501 514 HB3 ASN 64 3HB ASN 64 -16.386 -5.136 0.930 515 HD21 ASN 64 1HD2 ASN 64 -14.051 -7.135 2.600 516 HD22 ASN 64 2HD2 ASN 64 -13.574 -8.065 1.220 517 H ASP 65 H ASP 65 -12.387 -5.023 0.958 518 HA ASP 65 HA ASP 65 -11.417 -5.402 3.688 519 HB2 ASP 65 2HB ASP 65 -9.461 -6.577 2.663 520 HB3 ASP 65 3HB ASP 65 -11.013 -7.294 2.278 521 H VAL 66 H VAL 66 -10.874 -3.272 0.966 522 HA VAL 66 HA VAL 66 -8.581 -1.893 1.796 523 HB VAL 66 HB VAL 66 -11.079 -0.872 0.360 524 HG11 VAL 66 1HG1 VAL 66 -8.414 0.560 0.656 525 HG12 VAL 66 2HG1 VAL 66 -9.939 1.056 1.390 526 HG13 VAL 66 3HG1 VAL 66 -9.755 1.086 -0.364 527 HG21 VAL 66 3HG2 VAL 66 -8.344 -1.663 -0.709 528 HG22 VAL 66 1HG2 VAL 66 -9.696 -1.067 -1.679 529 HG23 VAL 66 2HG2 VAL 66 -9.821 -2.618 -0.846 530 H ASN 67 H ASN 67 -12.001 -1.286 2.625 531 HA ASN 67 HA ASN 67 -11.454 0.746 4.553 532 HB2 ASN 67 2HB ASN 67 -13.960 -0.923 4.108 533 HB3 ASN 67 3HB ASN 67 -13.848 0.331 5.341 534 HD21 ASN 67 1HD2 ASN 67 -14.454 -0.298 2.057 535 HD22 ASN 67 2HD2 ASN 67 -14.568 1.339 1.519 536 H GLU 68 H GLU 68 -11.730 -2.792 4.757 537 HA GLU 68 HA GLU 68 -11.619 -3.029 7.589 538 HB2 GLU 68 2HB GLU 68 -10.771 -4.961 5.393 539 HB3 GLU 68 3HB GLU 68 -10.639 -5.370 7.102 540 HG2 GLU 68 2HG GLU 68 -13.041 -5.168 7.391 541 HG3 GLU 68 3HG GLU 68 -13.233 -4.612 5.729 542 H PHE 69 H PHE 69 -9.115 -2.559 5.148 543 HA PHE 69 HA PHE 69 -6.826 -2.950 6.764 544 HB2 PHE 69 2HB PHE 69 -6.510 -2.826 4.362 545 HB3 PHE 69 3HB PHE 69 -7.278 -1.247 4.273 546 HD1 PHE 69 HD1 PHE 69 -4.211 -3.021 5.464 547 HD2 PHE 69 HD2 PHE 69 -5.988 0.771 4.566 548 HE1 PHE 69 HE1 PHE 69 -2.015 -1.930 5.667 549 HE2 PHE 69 HE2 PHE 69 -3.793 1.845 4.771 550 HZ PHE 69 HZ PHE 69 -1.812 0.501 5.321 551 H GLN 70 H GLN 70 -8.544 0.006 5.806 552 HA GLN 70 HA GLN 70 -7.243 1.877 7.373 553 HB2 GLN 70 2HB GLN 70 -10.170 1.817 6.535 554 HB3 GLN 70 3HB GLN 70 -9.307 3.253 7.093 555 HG2 GLN 70 2HG GLN 70 -7.889 3.273 5.166 556 HG3 GLN 70 3HG GLN 70 -8.407 1.659 4.679 557 HE21 GLN 70 1HE2 GLN 70 -9.052 2.319 2.641 558 HE22 GLN 70 2HE2 GLN 70 -10.436 3.310 2.366 559 H ASN 71 H ASN 71 -10.002 -0.174 8.250 560 HA ASN 71 HA ASN 71 -10.520 0.996 10.805 561 HB2 ASN 71 2HB ASN 71 -11.396 -1.660 9.605 562 HB3 ASN 71 3HB ASN 71 -11.926 -1.099 11.193 563 HD21 ASN 71 1HD2 ASN 71 -13.502 -1.629 8.818 564 HD22 ASN 71 2HD2 ASN 71 -14.347 -0.164 8.470 565 H GLU 72 H GLU 72 -9.128 -2.252 10.045 566 HA GLU 72 HA GLU 72 -8.251 -2.821 12.591 567 HB2 GLU 72 2HB GLU 72 -6.972 -3.709 9.981 568 HB3 GLU 72 3HB GLU 72 -6.624 -4.415 11.559 569 HG2 GLU 72 2HG GLU 72 -9.238 -4.491 10.037 570 HG3 GLU 72 3HG GLU 72 -8.179 -5.847 10.416 571 H ALA 73 H ALA 73 -6.506 -0.954 10.099 572 HA ALA 73 HA ALA 73 -4.114 -0.571 11.500 573 HB1 ALA 73 3HB ALA 73 -5.430 1.309 9.514 574 HB2 ALA 73 1HB ALA 73 -4.359 -0.038 9.117 575 HB3 ALA 73 2HB ALA 73 -3.735 1.347 10.016 576 H LYS 74 H LYS 74 -7.000 1.578 11.376 577 HA LYS 74 HA LYS 74 -5.969 3.531 13.118 578 HB2 LYS 74 2HB LYS 74 -8.091 4.588 13.098 579 HB3 LYS 74 3HB LYS 74 -7.943 3.816 11.525 580 HG2 LYS 74 2HG LYS 74 -9.402 1.960 12.333 581 HG3 LYS 74 3HG LYS 74 -9.575 2.794 13.876 582 HD2 LYS 74 2HD LYS 74 -11.545 3.246 12.549 583 HD3 LYS 74 3HD LYS 74 -10.606 4.734 12.658 584 HE2 LYS 74 2HE LYS 74 -9.721 4.337 10.381 585 HE3 LYS 74 3HE LYS 74 -10.643 2.836 10.283 586 HZ1 LYS 74 3HZ LYS 74 -11.720 5.595 10.446 587 HZ2 LYS 74 1HZ LYS 74 -12.678 4.208 10.590 588 HZ3 LYS 74 2HZ LYS 74 -11.845 4.516 9.154 589 H LYS 75 H LYS 75 -7.541 0.455 13.905 590 HA LYS 75 HA LYS 75 -7.951 1.230 16.709 591 HB2 LYS 75 2HB LYS 75 -9.030 -0.896 17.044 592 HB3 LYS 75 3HB LYS 75 -9.648 -0.198 15.548 593 HG2 LYS 75 2HG LYS 75 -8.319 -1.728 14.212 594 HG3 LYS 75 3HG LYS 75 -7.499 -2.345 15.646 595 HD2 LYS 75 2HD LYS 75 -9.265 -3.884 14.779 596 HD3 LYS 75 3HD LYS 75 -9.535 -3.384 16.450 597 HE2 LYS 75 2HE LYS 75 -11.633 -3.384 15.144 598 HE3 LYS 75 3HE LYS 75 -11.232 -1.761 15.704 599 HZ1 LYS 75 3HZ LYS 75 -10.758 -2.833 12.976 600 HZ2 LYS 75 1HZ LYS 75 -10.347 -1.277 13.501 601 HZ3 LYS 75 2HZ LYS 75 -11.969 -1.743 13.421 602 H GLU 76 H GLU 76 -5.712 -0.689 14.776 603 HA GLU 76 HA GLU 76 -4.270 -1.692 17.125 604 HB2 GLU 76 2HB GLU 76 -3.801 -2.119 14.142 605 HB3 GLU 76 3HB GLU 76 -2.878 -2.894 15.423 606 HG2 GLU 76 2HG GLU 76 -5.847 -3.264 14.907 607 HG3 GLU 76 3HG GLU 76 -4.577 -4.394 14.447 608 H GLY 77 H GLY 77 -4.302 1.192 15.529 609 HA2 GLY 77 2HA GLY 77 -2.994 3.036 15.951 610 HA3 GLY 77 3HA GLY 77 -1.948 2.037 16.944 611 H VAL 78 H VAL 78 -2.621 1.128 13.685 612 HA VAL 78 HA VAL 78 0.071 1.814 12.762 613 HB VAL 78 HB VAL 78 -2.187 0.255 11.410 614 HG11 VAL 78 1HG1 VAL 78 -0.737 1.305 9.724 615 HG12 VAL 78 2HG1 VAL 78 -0.496 -0.442 9.742 616 HG13 VAL 78 3HG1 VAL 78 0.694 0.619 10.500 617 HG21 VAL 78 3HG2 VAL 78 -0.831 -1.758 11.876 618 HG22 VAL 78 1HG2 VAL 78 -1.282 -0.932 13.371 619 HG23 VAL 78 2HG2 VAL 78 0.357 -0.770 12.730 620 H SER 79 H SER 79 0.379 3.674 11.693 621 HA SER 79 HA SER 79 -1.803 5.425 10.929 622 HB2 SER 79 2HB SER 79 1.208 5.730 10.531 623 HB3 SER 79 3HB SER 79 0.001 7.007 10.346 624 HG SER 79 HG SER 79 -0.500 6.736 12.560 625 H TYR 80 H TYR 80 -2.038 6.281 8.692 626 HA TYR 80 HA TYR 80 -0.817 4.887 6.481 627 HB2 TYR 80 2HB TYR 80 -2.932 3.931 5.543 628 HB3 TYR 80 3HB TYR 80 -2.473 3.174 7.059 629 HD1 TYR 80 HD1 TYR 80 -3.809 3.601 9.138 630 HD2 TYR 80 HD2 TYR 80 -5.035 5.223 5.370 631 HE1 TYR 80 HE1 TYR 80 -6.048 4.032 10.049 632 HE2 TYR 80 HE2 TYR 80 -7.273 5.655 6.291 633 HH TYR 80 HH TYR 80 -8.716 4.859 8.089 634 H ASP 81 H ASP 81 -1.135 5.909 4.502 635 HA ASP 81 HA ASP 81 -3.156 8.072 4.311 636 HB2 ASP 81 2HB ASP 81 -0.308 8.014 3.250 637 HB3 ASP 81 3HB ASP 81 -1.529 8.977 2.423 638 H VAL 82 H VAL 82 -4.618 7.768 2.803 639 HA VAL 82 HA VAL 82 -4.493 5.420 1.073 640 HB VAL 82 HB VAL 82 -6.793 7.385 1.545 641 HG11 VAL 82 1HG1 VAL 82 -7.002 6.194 -0.602 642 HG12 VAL 82 2HG1 VAL 82 -8.228 5.639 0.539 643 HG13 VAL 82 3HG1 VAL 82 -6.804 4.645 0.223 644 HG21 VAL 82 3HG2 VAL 82 -7.752 5.653 3.036 645 HG22 VAL 82 1HG2 VAL 82 -6.183 6.203 3.633 646 HG23 VAL 82 2HG2 VAL 82 -6.319 4.649 2.807 647 H LEU 83 H LEU 83 -3.529 5.692 -0.801 648 HA LEU 83 HA LEU 83 -3.583 8.239 -2.289 649 HB2 LEU 83 2HB LEU 83 -1.356 7.281 -1.734 650 HB3 LEU 83 3HB LEU 83 -1.778 5.796 -2.570 651 HG LEU 83 HG LEU 83 -1.902 7.081 -4.733 652 HD11 LEU 83 1HD1 LEU 83 -2.437 9.299 -3.868 653 HD12 LEU 83 2HD1 LEU 83 -0.993 9.350 -4.875 654 HD13 LEU 83 3HD1 LEU 83 -0.842 9.417 -3.117 655 HD21 LEU 83 3HD2 LEU 83 0.513 7.337 -5.049 656 HD22 LEU 83 1HD2 LEU 83 0.152 5.877 -4.127 657 HD23 LEU 83 2HD2 LEU 83 0.766 7.313 -3.301 658 H LYS 84 H LYS 84 -5.339 8.239 -3.597 659 HA LYS 84 HA LYS 84 -5.983 5.845 -5.235 660 HB2 LYS 84 2HB LYS 84 -7.741 8.253 -4.569 661 HB3 LYS 84 3HB LYS 84 -8.217 6.881 -5.572 662 HG2 LYS 84 2HG LYS 84 -7.988 5.373 -3.635 663 HG3 LYS 84 3HG LYS 84 -7.496 6.740 -2.625 664 HD2 LYS 84 2HD LYS 84 -9.718 7.806 -3.026 665 HD3 LYS 84 3HD LYS 84 -10.199 6.410 -3.999 666 HE2 LYS 84 2HE LYS 84 -9.996 4.951 -2.037 667 HE3 LYS 84 3HE LYS 84 -9.443 6.312 -1.060 668 HZ1 LYS 84 3HZ LYS 84 -11.584 7.368 -1.377 669 HZ2 LYS 84 1HZ LYS 84 -11.773 5.832 -0.702 670 HZ3 LYS 84 2HZ LYS 84 -12.112 6.080 -2.336 671 H SER 85 H SER 85 -4.623 6.092 -6.919 672 HA SER 85 HA SER 85 -5.062 8.267 -8.821 673 HB2 SER 85 2HB SER 85 -2.255 7.755 -7.713 674 HB3 SER 85 3HB SER 85 -2.659 8.862 -9.025 675 HG SER 85 HG SER 85 -4.184 9.621 -7.097 676 H THR 86 H THR 86 -4.580 7.662 -10.925 677 HA THR 86 HA THR 86 -3.433 4.952 -11.399 678 HB THR 86 HB THR 86 -4.913 4.891 -13.469 679 HG1 THR 86 HG1 THR 86 -5.388 7.097 -13.652 680 HG21 THR 86 3HG2 THR 86 -7.010 4.327 -12.290 681 HG22 THR 86 1HG2 THR 86 -6.408 5.114 -10.829 682 HG23 THR 86 2HG2 THR 86 -5.611 3.663 -11.442 683 H ASP 87 H ASP 87 -1.344 5.492 -11.936 684 HA ASP 87 HA ASP 87 -0.725 6.459 -14.511 685 HB2 ASP 87 2HB ASP 87 -1.242 8.685 -13.330 686 HB3 ASP 87 3HB ASP 87 0.152 8.387 -12.304 687 HA PRO 88 HA PRO 88 2.379 3.602 -13.024 688 HB2 PRO 88 2HB PRO 88 4.033 3.457 -15.219 689 HB3 PRO 88 3HB PRO 88 2.422 2.708 -15.173 690 HG2 PRO 88 2HG PRO 88 3.231 5.351 -16.360 691 HG3 PRO 88 3HG PRO 88 2.205 4.072 -17.054 692 HD2 PRO 88 2HD PRO 88 1.120 6.272 -15.899 693 HD3 PRO 88 3HD PRO 88 0.338 4.678 -15.777 694 H GLU 89 H GLU 89 3.331 6.792 -14.202 695 HA GLU 89 HA GLU 89 6.035 6.546 -13.075 696 HB2 GLU 89 2HB GLU 89 4.754 8.851 -14.595 697 HB3 GLU 89 3HB GLU 89 6.437 8.781 -14.066 698 HG2 GLU 89 2HG GLU 89 6.730 6.724 -15.480 699 HG3 GLU 89 3HG GLU 89 5.095 6.966 -16.094 700 H GLU 90 H GLU 90 3.018 8.309 -12.524 701 HA GLU 90 HA GLU 90 4.021 10.078 -10.516 702 HB2 GLU 90 2HB GLU 90 2.011 10.567 -11.907 703 HB3 GLU 90 3HB GLU 90 1.143 9.272 -11.090 704 HG2 GLU 90 2HG GLU 90 1.347 10.481 -8.945 705 HG3 GLU 90 3HG GLU 90 2.229 11.775 -9.756 706 H LEU 91 H LEU 91 2.251 7.005 -10.446 707 HA LEU 91 HA LEU 91 1.997 6.820 -7.619 708 HB2 LEU 91 2HB LEU 91 1.980 4.701 -9.781 709 HB3 LEU 91 3HB LEU 91 1.784 4.293 -8.083 710 HG LEU 91 HG LEU 91 -0.097 6.081 -9.683 711 HD11 LEU 91 1HD1 LEU 91 -1.686 4.228 -9.548 712 HD12 LEU 91 2HD1 LEU 91 -0.494 3.236 -8.704 713 HD13 LEU 91 3HD1 LEU 91 -0.214 3.723 -10.378 714 HD21 LEU 91 3HD2 LEU 91 -0.323 5.060 -6.827 715 HD22 LEU 91 1HD2 LEU 91 -1.565 5.955 -7.708 716 HD23 LEU 91 2HD2 LEU 91 -0.034 6.732 -7.318 717 H THR 92 H THR 92 4.553 5.755 -9.896 718 HA THR 92 HA THR 92 6.186 4.431 -8.015 719 HB THR 92 HB THR 92 6.953 5.794 -10.632 720 HG1 THR 92 HG1 THR 92 6.330 3.959 -11.476 721 HG21 THR 92 3HG2 THR 92 9.043 4.454 -10.571 722 HG22 THR 92 1HG2 THR 92 8.635 3.887 -8.946 723 HG23 THR 92 2HG2 THR 92 8.991 5.592 -9.225 724 H GLN 93 H GLN 93 6.033 7.897 -8.951 725 HA GLN 93 HA GLN 93 8.353 8.627 -7.439 726 HB2 GLN 93 2HB GLN 93 7.975 10.880 -8.027 727 HB3 GLN 93 3HB GLN 93 7.399 9.964 -9.410 728 HG2 GLN 93 2HG GLN 93 5.080 10.328 -8.721 729 HG3 GLN 93 3HG GLN 93 5.613 11.161 -7.266 730 HE21 GLN 93 1HE2 GLN 93 5.223 11.391 -10.725 731 HE22 GLN 93 2HE2 GLN 93 5.489 13.092 -10.842 732 H ARG 94 H ARG 94 4.889 8.438 -6.683 733 HA ARG 94 HA ARG 94 5.078 9.896 -4.196 734 HB2 ARG 94 2HB ARG 94 2.851 8.101 -5.252 735 HB3 ARG 94 3HB ARG 94 2.733 9.108 -3.812 736 HG2 ARG 94 2HG ARG 94 3.099 10.094 -6.656 737 HG3 ARG 94 3HG ARG 94 1.609 10.158 -5.716 738 HD2 ARG 94 2HD ARG 94 2.657 11.728 -4.143 739 HD3 ARG 94 3HD ARG 94 4.187 11.612 -5.022 740 HE ARG 94 HE ARG 94 1.741 12.610 -6.349 741 HH11 ARG 94 1HH1 ARG 94 5.052 13.173 -5.337 742 HH12 ARG 94 2HH1 ARG 94 5.210 14.650 -6.231 743 HH21 ARG 94 1HH2 ARG 94 1.962 14.561 -7.526 744 HH22 ARG 94 2HH2 ARG 94 3.465 15.430 -7.466 745 H VAL 95 H VAL 95 4.814 6.463 -5.084 746 HA VAL 95 HA VAL 95 4.885 5.241 -2.576 747 HB VAL 95 HB VAL 95 5.842 4.323 -5.321 748 HG11 VAL 95 1HG1 VAL 95 7.310 3.132 -3.761 749 HG12 VAL 95 2HG1 VAL 95 6.122 2.008 -4.431 750 HG13 VAL 95 3HG1 VAL 95 5.918 2.632 -2.794 751 HG21 VAL 95 3HG2 VAL 95 3.883 2.806 -5.190 752 HG22 VAL 95 1HG2 VAL 95 3.409 4.498 -4.999 753 HG23 VAL 95 2HG2 VAL 95 3.500 3.442 -3.588 754 H ARG 96 H ARG 96 7.553 6.201 -4.729 755 HA ARG 96 HA ARG 96 9.556 5.050 -3.069 756 HB2 ARG 96 2HB ARG 96 11.140 5.721 -4.647 757 HB3 ARG 96 3HB ARG 96 9.702 5.408 -5.601 758 HG2 ARG 96 2HG ARG 96 9.305 7.821 -5.818 759 HG3 ARG 96 3HG ARG 96 10.706 8.158 -4.793 760 HD2 ARG 96 2HD ARG 96 10.724 6.815 -7.515 761 HD3 ARG 96 3HD ARG 96 11.330 8.428 -7.127 762 HE ARG 96 HE ARG 96 12.735 6.694 -5.489 763 HH11 ARG 96 1HH1 ARG 96 12.391 7.116 -8.981 764 HH12 ARG 96 2HH1 ARG 96 13.972 6.485 -9.325 765 HH21 ARG 96 1HH2 ARG 96 14.789 5.855 -5.976 766 HH22 ARG 96 2HH2 ARG 96 15.323 5.775 -7.625 767 H GLU 97 H GLU 97 8.365 8.412 -3.531 768 HA GLU 97 HA GLU 97 10.385 9.618 -1.922 769 HB2 GLU 97 2HB GLU 97 9.161 11.670 -2.042 770 HB3 GLU 97 3HB GLU 97 9.000 10.885 -3.606 771 HG2 GLU 97 2HG GLU 97 6.720 10.118 -2.956 772 HG3 GLU 97 3HG GLU 97 6.884 10.977 -1.427 773 H PHE 98 H PHE 98 7.189 8.228 -1.233 774 HA PHE 98 HA PHE 98 6.898 8.978 1.442 775 HB2 PHE 98 2HB PHE 98 5.084 7.937 0.162 776 HB3 PHE 98 3HB PHE 98 6.015 6.459 -0.036 777 HD1 PHE 98 HD1 PHE 98 4.272 8.587 2.486 778 HD2 PHE 98 HD2 PHE 98 5.938 4.732 1.639 779 HE1 PHE 98 HE1 PHE 98 3.274 7.688 4.543 780 HE2 PHE 98 HE2 PHE 98 4.936 3.856 3.699 781 HZ PHE 98 HZ PHE 98 3.607 5.323 5.146 782 H LEU 99 H LEU 99 8.436 6.080 0.005 783 HA LEU 99 HA LEU 99 9.327 4.909 2.426 784 HB2 LEU 99 2HB LEU 99 10.373 4.616 -0.416 785 HB3 LEU 99 3HB LEU 99 10.906 3.609 0.925 786 HG LEU 99 HG LEU 99 8.039 3.737 -0.109 787 HD11 LEU 99 1HD1 LEU 99 9.512 2.694 -1.761 788 HD12 LEU 99 2HD1 LEU 99 8.428 1.506 -1.039 789 HD13 LEU 99 3HD1 LEU 99 10.122 1.573 -0.539 790 HD21 LEU 99 3HD2 LEU 99 7.647 1.772 1.331 791 HD22 LEU 99 1HD2 LEU 99 8.121 3.183 2.276 792 HD23 LEU 99 2HD2 LEU 99 9.291 1.897 1.965 793 H LYS 100 H LYS 100 10.616 7.513 0.513 794 HA LYS 100 HA LYS 100 13.303 7.413 1.613 795 HB2 LYS 100 2HB LYS 100 11.944 9.447 -0.204 796 HB3 LYS 100 3HB LYS 100 13.620 9.573 0.329 797 HG2 LYS 100 2HG LYS 100 14.070 7.349 -0.768 798 HG3 LYS 100 3HG LYS 100 12.428 7.389 -1.408 799 HD2 LYS 100 2HD LYS 100 13.968 8.158 -3.129 800 HD3 LYS 100 3HD LYS 100 12.971 9.517 -2.605 801 HE2 LYS 100 2HE LYS 100 14.840 10.321 -1.178 802 HE3 LYS 100 3HE LYS 100 15.827 8.959 -1.711 803 HZ1 LYS 100 3HZ LYS 100 14.805 11.184 -3.385 804 HZ2 LYS 100 1HZ LYS 100 15.593 9.822 -4.001 805 HZ3 LYS 100 2HZ LYS 100 16.414 10.876 -2.969 806 H THR 101 H THR 101 10.351 9.416 2.087 807 HA THR 101 HA THR 101 11.827 11.316 3.750 808 HB THR 101 HB THR 101 10.138 12.189 2.110 809 HG1 THR 101 HG1 THR 101 10.242 13.737 3.532 810 HG21 THR 101 3HG2 THR 101 8.030 10.986 3.963 811 HG22 THR 101 1HG2 THR 101 8.379 10.439 2.320 812 HG23 THR 101 2HG2 THR 101 7.724 12.052 2.589 813 H ALA 102 H ALA 102 9.235 8.894 4.044 814 HA ALA 102 HA ALA 102 9.075 9.075 6.924 815 HB1 ALA 102 3HB ALA 102 7.927 6.983 5.048 816 HB2 ALA 102 1HB ALA 102 7.099 8.444 5.599 817 HB3 ALA 102 2HB ALA 102 7.525 7.184 6.757 818 H GLY 103 H GLY 103 11.438 7.897 4.924 819 HA2 GLY 103 2HA GLY 103 12.451 5.625 6.182 820 HA3 GLY 103 3HA GLY 103 13.422 6.892 5.452 821 H SER 104 H SER 104 12.259 8.918 7.348 822 HA SER 104 HA SER 104 13.543 8.128 9.901 823 HB2 SER 104 2HB SER 104 13.738 10.625 10.285 824 HB3 SER 104 3HB SER 104 14.676 10.047 8.909 825 HG SER 104 HG SER 104 12.200 11.428 8.891 826 H LEU 105 H LEU 105 11.579 7.037 10.614 827 HA LEU 105 HA LEU 105 9.290 8.769 11.316 828 HB2 LEU 105 2HB LEU 105 9.702 5.769 11.694 829 HB3 LEU 105 3HB LEU 105 8.283 6.642 12.255 830 HG LEU 105 HG LEU 105 9.122 6.312 9.348 831 HD11 LEU 105 1HD1 LEU 105 8.268 4.230 10.307 832 HD12 LEU 105 2HD1 LEU 105 7.155 4.887 9.111 833 HD13 LEU 105 3HD1 LEU 105 6.797 5.055 10.834 834 HD21 LEU 105 3HD2 LEU 105 8.013 8.469 9.676 835 HD22 LEU 105 1HD2 LEU 105 6.656 7.675 10.483 836 HD23 LEU 105 2HD2 LEU 105 6.977 7.369 8.774 837 H GLU 106 H GLU 106 8.577 8.918 13.540 838 HA GLU 106 HA GLU 106 10.684 9.343 15.445 839 HB2 GLU 106 2HB GLU 106 7.683 9.262 15.981 840 HB3 GLU 106 3HB GLU 106 8.905 10.034 16.981 841 HG2 GLU 106 2HG GLU 106 8.044 10.889 14.201 842 HG3 GLU 106 3HG GLU 106 7.579 11.664 15.714 843 H HIS 107 H HIS 107 11.311 8.015 17.155 844 HA HIS 107 HA HIS 107 10.381 5.225 17.072 845 HB2 HIS 107 2HB HIS 107 12.855 5.784 16.978 846 HB3 HIS 107 3HB HIS 107 12.739 6.375 18.632 847 HD1 HIS 107 HD1 HIS 107 13.860 4.647 20.049 848 HD2 HIS 107 HD2 HIS 107 11.477 2.904 17.131 849 HE1 HIS 107 HE1 HIS 107 14.045 2.171 20.412 850 HE2 HIS 107 HE2 HIS 107 12.732 1.150 18.534 851 H HIS 108 H HIS 108 8.342 5.618 18.079 852 HA HIS 108 HA HIS 108 8.367 6.145 20.994 853 HB2 HIS 108 2HB HIS 108 6.685 7.388 19.606 854 HB3 HIS 108 3HB HIS 108 5.990 5.862 19.085 855 HD1 HIS 108 HD1 HIS 108 4.221 4.859 20.580 856 HD2 HIS 108 HD2 HIS 108 6.277 7.949 22.435 857 HE1 HIS 108 HE1 HIS 108 2.945 5.345 22.683 858 HE2 HIS 108 HE2 HIS 108 4.100 7.344 23.676 859 H HIS 109 H HIS 109 7.770 4.530 22.434 860 HA HIS 109 HA HIS 109 8.126 1.828 21.705 861 HB2 HIS 109 2HB HIS 109 7.661 1.255 24.003 862 HB3 HIS 109 3HB HIS 109 8.567 2.759 24.016 863 HD1 HIS 109 HD1 HIS 109 5.563 1.217 25.331 864 HD2 HIS 109 HD2 HIS 109 6.809 5.100 24.550 865 HE1 HIS 109 HE1 HIS 109 4.031 2.694 26.648 866 HE2 HIS 109 HE2 HIS 109 4.859 5.028 26.231 867 H HIS 110 H HIS 110 6.713 0.310 21.079 868 HA HIS 110 HA HIS 110 4.022 1.200 20.312 869 HB2 HIS 110 2HB HIS 110 5.602 -1.269 19.445 870 HB3 HIS 110 3HB HIS 110 4.052 -0.754 18.783 871 HD1 HIS 110 HD1 HIS 110 7.623 -0.393 18.255 872 HD2 HIS 110 HD2 HIS 110 4.246 1.858 17.395 873 HE1 HIS 110 HE1 HIS 110 8.328 1.227 16.483 874 HE2 HIS 110 HE2 HIS 110 6.217 2.429 15.840 875 H HIS 111 H HIS 111 2.185 0.170 20.931 876 HA HIS 111 HA HIS 111 2.016 -0.990 23.495 877 HB2 HIS 111 2HB HIS 111 -0.433 -1.273 22.968 878 HB3 HIS 111 3HB HIS 111 0.164 0.345 22.638 879 HD1 HIS 111 HD1 HIS 111 -2.116 -1.866 21.266 880 HD2 HIS 111 HD2 HIS 111 1.015 0.275 19.589 881 HE1 HIS 111 HE1 HIS 111 -2.640 -1.699 18.828 882 HE2 HIS 111 HE2 HIS 111 -0.635 -0.561 17.824 883 H HIS 112 H HIS 112 3.375 -2.815 23.452 884 HA HIS 112 HA HIS 112 2.447 -5.208 21.976 885 HB2 HIS 112 2HB HIS 112 4.699 -4.264 21.280 886 HB3 HIS 112 3HB HIS 112 5.291 -4.578 22.908 887 HD1 HIS 112 HD1 HIS 112 4.412 -6.256 19.702 888 HD2 HIS 112 HD2 HIS 112 5.759 -7.338 23.476 889 HE1 HIS 112 HE1 HIS 112 5.143 -8.650 19.496 890 HE2 HIS 112 HE2 HIS 112 5.692 -9.335 21.853 Start of MODEL 2 1 H1 MET 1 1H MET 1 4.224 0.520 16.063 2 H2 MET 1 2H MET 1 5.123 1.877 15.628 3 H3 MET 1 3H MET 1 5.034 0.561 14.578 4 HA MET 1 HA MET 1 2.710 0.909 14.220 5 HB2 MET 1 2HB MET 1 2.989 3.425 15.924 6 HB3 MET 1 3HB MET 1 1.522 2.833 15.149 7 HG2 MET 1 2HG MET 1 1.377 2.387 17.485 8 HG3 MET 1 3HG MET 1 1.609 0.843 16.667 9 HE1 MET 1 3HE MET 1 3.525 1.117 20.329 10 HE2 MET 1 1HE MET 1 2.068 0.450 19.588 11 HE3 MET 1 2HE MET 1 2.221 2.192 19.827 12 H GLY 2 H GLY 2 4.179 1.026 12.338 13 HA2 GLY 2 2HA GLY 2 5.288 3.554 11.485 14 HA3 GLY 2 3HA GLY 2 5.215 2.063 10.557 15 H LYS 3 H LYS 3 4.775 3.938 8.923 16 HA LYS 3 HA LYS 3 1.845 4.428 8.769 17 HB2 LYS 3 2HB LYS 3 3.303 6.471 9.234 18 HB3 LYS 3 3HB LYS 3 4.019 6.253 7.637 19 HG2 LYS 3 2HG LYS 3 1.838 6.584 6.577 20 HG3 LYS 3 3HG LYS 3 1.058 6.684 8.159 21 HD2 LYS 3 2HD LYS 3 2.513 8.724 8.631 22 HD3 LYS 3 3HD LYS 3 3.026 8.658 6.941 23 HE2 LYS 3 2HE LYS 3 0.602 8.834 6.284 24 HE3 LYS 3 3HE LYS 3 0.213 9.086 7.984 25 HZ1 LYS 3 3HZ LYS 3 1.974 10.830 6.344 26 HZ2 LYS 3 1HZ LYS 3 1.562 11.087 7.962 27 HZ3 LYS 3 2HZ LYS 3 0.372 11.165 6.763 28 H VAL 4 H VAL 4 0.851 3.761 6.940 29 HA VAL 4 HA VAL 4 2.477 2.462 4.837 30 HB VAL 4 HB VAL 4 -0.499 2.110 5.475 31 HG11 VAL 4 1HG1 VAL 4 0.030 1.602 3.125 32 HG12 VAL 4 2HG1 VAL 4 -0.396 0.139 4.010 33 HG13 VAL 4 3HG1 VAL 4 1.296 0.479 3.636 34 HG21 VAL 4 3HG2 VAL 4 0.089 -0.056 6.479 35 HG22 VAL 4 1HG2 VAL 4 0.893 1.265 7.331 36 HG23 VAL 4 2HG2 VAL 4 1.806 0.257 6.205 37 H LEU 5 H LEU 5 2.205 3.031 2.650 38 HA LEU 5 HA LEU 5 0.194 5.079 1.952 39 HB2 LEU 5 2HB LEU 5 2.505 5.605 1.253 40 HB3 LEU 5 3HB LEU 5 2.613 4.077 0.387 41 HG LEU 5 HG LEU 5 0.853 4.833 -1.196 42 HD11 LEU 5 1HD1 LEU 5 0.879 7.448 0.330 43 HD12 LEU 5 2HD1 LEU 5 -0.451 6.289 0.244 44 HD13 LEU 5 3HD1 LEU 5 0.055 7.155 -1.204 45 HD21 LEU 5 3HD2 LEU 5 2.158 6.544 -2.388 46 HD22 LEU 5 1HD2 LEU 5 3.184 5.242 -1.784 47 HD23 LEU 5 2HD2 LEU 5 3.152 6.798 -0.950 48 H LEU 6 H LEU 6 -1.658 4.165 1.381 49 HA LEU 6 HA LEU 6 -1.833 1.416 0.418 50 HB2 LEU 6 2HB LEU 6 -3.272 2.368 2.281 51 HB3 LEU 6 3HB LEU 6 -4.010 3.444 1.106 52 HG LEU 6 HG LEU 6 -4.858 1.393 -0.126 53 HD11 LEU 6 1HD1 LEU 6 -3.890 -0.095 2.332 54 HD12 LEU 6 2HD1 LEU 6 -3.265 -0.265 0.688 55 HD13 LEU 6 3HD1 LEU 6 -4.917 -0.755 1.055 56 HD21 LEU 6 3HD2 LEU 6 -6.322 2.679 1.347 57 HD22 LEU 6 1HD2 LEU 6 -5.781 1.747 2.746 58 HD23 LEU 6 2HD2 LEU 6 -6.697 0.962 1.457 59 H VAL 7 H VAL 7 -1.244 1.409 -1.750 60 HA VAL 7 HA VAL 7 -2.042 3.573 -3.552 61 HB VAL 7 HB VAL 7 -0.291 1.118 -4.097 62 HG11 VAL 7 1HG1 VAL 7 -1.298 1.989 -6.178 63 HG12 VAL 7 2HG1 VAL 7 0.439 2.287 -6.146 64 HG13 VAL 7 3HG1 VAL 7 -0.688 3.607 -5.814 65 HG21 VAL 7 3HG2 VAL 7 1.625 2.661 -3.935 66 HG22 VAL 7 1HG2 VAL 7 0.719 2.614 -2.421 67 HG23 VAL 7 2HG2 VAL 7 0.539 3.989 -3.514 68 H ILE 8 H ILE 8 -4.017 3.430 -4.293 69 HA ILE 8 HA ILE 8 -5.190 0.887 -5.266 70 HB ILE 8 HB ILE 8 -6.708 3.362 -4.270 71 HG12 ILE 8 2HG1 ILE 8 -6.208 0.770 -2.734 72 HG13 ILE 8 3HG1 ILE 8 -5.439 2.313 -2.394 73 HG21 ILE 8 1HG2 ILE 8 -8.700 1.917 -4.255 74 HG22 ILE 8 2HG2 ILE 8 -7.745 0.554 -4.840 75 HG23 ILE 8 3HG2 ILE 8 -7.986 1.968 -5.869 76 HD11 ILE 8 3HD1 ILE 8 -7.213 1.863 -0.827 77 HD12 ILE 8 1HD1 ILE 8 -8.383 1.711 -2.139 78 HD13 ILE 8 2HD1 ILE 8 -7.613 3.267 -1.814 79 H SER 9 H SER 9 -6.084 0.929 -7.291 80 HA SER 9 HA SER 9 -6.527 3.391 -8.794 81 HB2 SER 9 2HB SER 9 -4.809 1.155 -9.985 82 HB3 SER 9 3HB SER 9 -5.206 2.700 -10.732 83 HG SER 9 HG SER 9 -4.040 3.515 -8.690 84 H THR 10 H THR 10 -7.987 3.008 -10.568 85 HA THR 10 HA THR 10 -9.686 0.662 -10.347 86 HB THR 10 HB THR 10 -10.734 2.829 -10.774 87 HG1 THR 10 HG1 THR 10 -10.998 1.244 -13.127 88 HG21 THR 10 3HG2 THR 10 -8.956 3.959 -12.050 89 HG22 THR 10 1HG2 THR 10 -10.489 4.025 -12.923 90 HG23 THR 10 2HG2 THR 10 -9.238 2.884 -13.422 91 H ASP 11 H ASP 11 -6.798 1.307 -11.880 92 HA ASP 11 HA ASP 11 -7.107 -0.952 -13.765 93 HB2 ASP 11 2HB ASP 11 -5.364 1.539 -14.038 94 HB3 ASP 11 3HB ASP 11 -5.159 0.104 -15.033 95 H THR 12 H THR 12 -6.432 -2.553 -12.395 96 HA THR 12 HA THR 12 -4.205 -2.372 -10.618 97 HB THR 12 HB THR 12 -5.627 -4.890 -11.607 98 HG1 THR 12 HG1 THR 12 -7.250 -4.000 -10.547 99 HG21 THR 12 3HG2 THR 12 -3.511 -5.384 -10.393 100 HG22 THR 12 1HG2 THR 12 -4.921 -5.865 -9.441 101 HG23 THR 12 2HG2 THR 12 -4.051 -4.382 -9.044 102 H ASN 13 H ASN 13 -4.450 -2.986 -14.004 103 HA ASN 13 HA ASN 13 -2.051 -4.268 -14.655 104 HB2 ASN 13 2HB ASN 13 -3.386 -1.916 -16.083 105 HB3 ASN 13 3HB ASN 13 -2.118 -2.916 -16.783 106 HD21 ASN 13 1HD2 ASN 13 -4.891 -2.383 -17.637 107 HD22 ASN 13 2HD2 ASN 13 -5.625 -3.937 -17.817 108 H ILE 14 H ILE 14 -2.718 -0.920 -13.757 109 HA ILE 14 HA ILE 14 -0.054 0.074 -14.250 110 HB ILE 14 HB ILE 14 -2.461 1.320 -12.847 111 HG12 ILE 14 2HG1 ILE 14 -2.930 0.809 -15.200 112 HG13 ILE 14 3HG1 ILE 14 -2.803 2.547 -14.987 113 HG21 ILE 14 1HG2 ILE 14 -1.373 3.504 -13.161 114 HG22 ILE 14 2HG2 ILE 14 0.069 2.706 -13.791 115 HG23 ILE 14 3HG2 ILE 14 -0.416 2.452 -12.113 116 HD11 ILE 14 3HD1 ILE 14 -0.705 0.737 -16.202 117 HD12 ILE 14 1HD1 ILE 14 -0.531 2.481 -15.960 118 HD13 ILE 14 2HD1 ILE 14 -1.765 1.858 -17.053 119 H ILE 15 H ILE 15 -2.006 -0.823 -11.418 120 HA ILE 15 HA ILE 15 -0.207 -0.250 -9.331 121 HB ILE 15 HB ILE 15 -2.311 -2.461 -9.559 122 HG12 ILE 15 2HG1 ILE 15 -2.425 0.266 -8.185 123 HG13 ILE 15 3HG1 ILE 15 -3.214 -0.158 -9.701 124 HG21 ILE 15 1HG2 ILE 15 -0.708 -3.122 -7.816 125 HG22 ILE 15 2HG2 ILE 15 -2.260 -2.686 -7.103 126 HG23 ILE 15 3HG2 ILE 15 -0.902 -1.560 -7.018 127 HD11 ILE 15 3HD1 ILE 15 -4.815 -0.149 -7.924 128 HD12 ILE 15 1HD1 ILE 15 -3.846 -1.273 -6.973 129 HD13 ILE 15 2HD1 ILE 15 -4.594 -1.805 -8.482 130 H SER 16 H SER 16 -0.465 -3.007 -11.515 131 HA SER 16 HA SER 16 1.407 -4.743 -10.307 132 HB2 SER 16 2HB SER 16 -0.308 -5.463 -11.961 133 HB3 SER 16 3HB SER 16 0.539 -4.581 -13.230 134 HG SER 16 HG SER 16 2.229 -6.005 -13.082 135 H SER 17 H SER 17 1.733 -2.371 -12.960 136 HA SER 17 HA SER 17 4.447 -2.842 -13.600 137 HB2 SER 17 2HB SER 17 2.832 -0.276 -13.938 138 HB3 SER 17 3HB SER 17 4.327 -0.676 -14.786 139 HG SER 17 HG SER 17 2.239 -2.521 -14.997 140 H VAL 18 H VAL 18 2.943 -0.370 -11.545 141 HA VAL 18 HA VAL 18 5.239 1.054 -10.742 142 HB VAL 18 HB VAL 18 2.497 0.741 -9.431 143 HG11 VAL 18 1HG1 VAL 18 4.075 1.522 -7.721 144 HG12 VAL 18 2HG1 VAL 18 2.960 2.809 -8.174 145 HG13 VAL 18 3HG1 VAL 18 4.615 2.823 -8.784 146 HG21 VAL 18 3HG2 VAL 18 1.969 2.882 -10.502 147 HG22 VAL 18 1HG2 VAL 18 2.479 1.704 -11.711 148 HG23 VAL 18 2HG2 VAL 18 3.593 2.970 -11.190 149 H GLN 19 H GLN 19 3.501 -1.638 -9.259 150 HA GLN 19 HA GLN 19 4.881 -1.996 -6.873 151 HB2 GLN 19 2HB GLN 19 2.853 -3.214 -7.316 152 HB3 GLN 19 3HB GLN 19 3.538 -3.961 -8.755 153 HG2 GLN 19 2HG GLN 19 5.167 -5.166 -7.230 154 HG3 GLN 19 3HG GLN 19 4.230 -4.552 -5.867 155 HE21 GLN 19 1HE2 GLN 19 1.638 -4.819 -7.158 156 HE22 GLN 19 2HE2 GLN 19 1.315 -6.509 -7.238 157 H GLU 20 H GLU 20 5.505 -3.467 -10.060 158 HA GLU 20 HA GLU 20 7.750 -5.006 -9.306 159 HB2 GLU 20 2HB GLU 20 6.822 -3.997 -12.029 160 HB3 GLU 20 3HB GLU 20 8.144 -5.146 -11.812 161 HG2 GLU 20 2HG GLU 20 6.638 -6.788 -10.823 162 HG3 GLU 20 3HG GLU 20 5.310 -5.629 -10.834 163 H ARG 21 H ARG 21 7.452 -1.706 -10.553 164 HA ARG 21 HA ARG 21 10.191 -1.143 -11.008 165 HB2 ARG 21 2HB ARG 21 7.896 0.715 -10.236 166 HB3 ARG 21 3HB ARG 21 9.489 1.277 -10.737 167 HG2 ARG 21 2HG ARG 21 9.159 0.270 -12.959 168 HG3 ARG 21 3HG ARG 21 7.579 -0.332 -12.460 169 HD2 ARG 21 2HD ARG 21 6.757 1.959 -12.179 170 HD3 ARG 21 3HD ARG 21 8.360 2.603 -12.568 171 HE ARG 21 HE ARG 21 7.278 0.920 -14.640 172 HH11 ARG 21 1HH1 ARG 21 7.266 4.216 -13.389 173 HH12 ARG 21 2HH1 ARG 21 6.831 4.920 -14.911 174 HH21 ARG 21 1HH2 ARG 21 6.735 1.859 -16.641 175 HH22 ARG 21 2HH2 ARG 21 6.526 3.577 -16.769 176 H ALA 22 H ALA 22 8.096 -0.805 -8.175 177 HA ALA 22 HA ALA 22 9.989 0.395 -6.419 178 HB1 ALA 22 3HB ALA 22 7.477 -1.194 -5.787 179 HB2 ALA 22 1HB ALA 22 7.572 0.550 -6.033 180 HB3 ALA 22 2HB ALA 22 8.372 -0.187 -4.643 181 H LYS 23 H LYS 23 9.063 -2.969 -7.103 182 HA LYS 23 HA LYS 23 10.617 -4.146 -4.996 183 HB2 LYS 23 2HB LYS 23 9.265 -5.369 -7.438 184 HB3 LYS 23 3HB LYS 23 10.115 -6.322 -6.222 185 HG2 LYS 23 2HG LYS 23 8.522 -5.478 -4.486 186 HG3 LYS 23 3HG LYS 23 7.648 -4.611 -5.752 187 HD2 LYS 23 2HD LYS 23 6.477 -6.694 -5.298 188 HD3 LYS 23 3HD LYS 23 7.206 -6.804 -6.900 189 HE2 LYS 23 2HE LYS 23 9.119 -8.081 -5.855 190 HE3 LYS 23 3HE LYS 23 8.226 -8.074 -4.334 191 HZ1 LYS 23 3HZ LYS 23 6.440 -9.285 -5.439 192 HZ2 LYS 23 1HZ LYS 23 7.897 -10.136 -5.524 193 HZ3 LYS 23 2HZ LYS 23 7.316 -9.312 -6.877 194 H HIS 24 H HIS 24 11.401 -3.194 -8.312 195 HA HIS 24 HA HIS 24 13.761 -4.749 -8.586 196 HB2 HIS 24 2HB HIS 24 12.980 -2.103 -9.878 197 HB3 HIS 24 3HB HIS 24 14.399 -3.035 -10.347 198 HD1 HIS 24 HD1 HIS 24 11.855 -2.336 -12.163 199 HD2 HIS 24 HD2 HIS 24 12.687 -6.004 -10.388 200 HE1 HIS 24 HE1 HIS 24 10.611 -4.045 -13.529 201 HE2 HIS 24 HE2 HIS 24 11.208 -6.258 -12.487 202 H ASN 25 H ASN 25 13.126 -1.769 -6.858 203 HA ASN 25 HA ASN 25 16.017 -1.226 -6.455 204 HB2 ASN 25 2HB ASN 25 13.569 0.512 -5.876 205 HB3 ASN 25 3HB ASN 25 15.236 0.989 -5.562 206 HD21 ASN 25 1HD2 ASN 25 12.831 0.452 -8.002 207 HD22 ASN 25 2HD2 ASN 25 13.703 1.145 -9.318 208 H TYR 26 H TYR 26 13.022 -1.835 -4.705 209 HA TYR 26 HA TYR 26 14.385 -1.844 -2.094 210 HB2 TYR 26 2HB TYR 26 11.406 -1.874 -2.806 211 HB3 TYR 26 3HB TYR 26 12.056 -1.841 -1.170 212 HD1 TYR 26 HD1 TYR 26 13.565 0.192 -0.522 213 HD2 TYR 26 HD2 TYR 26 10.990 0.205 -3.937 214 HE1 TYR 26 HE1 TYR 26 13.619 2.650 -0.565 215 HE2 TYR 26 HE2 TYR 26 11.051 2.667 -3.978 216 HH TYR 26 HH TYR 26 11.477 4.532 -2.253 217 HA PRO 27 HA PRO 27 14.313 -6.338 -1.947 218 HB2 PRO 27 2HB PRO 27 14.420 -6.799 0.740 219 HB3 PRO 27 3HB PRO 27 15.760 -6.002 -0.111 220 HG2 PRO 27 2HG PRO 27 13.538 -4.751 1.488 221 HG3 PRO 27 3HG PRO 27 15.288 -4.438 1.569 222 HD2 PRO 27 2HD PRO 27 13.600 -2.834 0.161 223 HD3 PRO 27 3HD PRO 27 15.282 -3.114 -0.344 224 H GLY 28 H GLY 28 11.588 -5.270 -2.315 225 HA2 GLY 28 2HA GLY 28 9.359 -5.558 -1.853 226 HA3 GLY 28 3HA GLY 28 9.799 -7.119 -1.153 227 H ARG 29 H ARG 29 8.817 -7.126 0.866 228 HA ARG 29 HA ARG 29 8.683 -6.868 3.101 229 HB2 ARG 29 2HB ARG 29 11.142 -6.873 3.012 230 HB3 ARG 29 3HB ARG 29 11.154 -5.143 2.713 231 HG2 ARG 29 2HG ARG 29 11.800 -5.540 4.996 232 HG3 ARG 29 3HG ARG 29 10.224 -4.754 4.984 233 HD2 ARG 29 2HD ARG 29 10.623 -7.743 5.335 234 HD3 ARG 29 3HD ARG 29 10.500 -6.600 6.670 235 HE ARG 29 HE ARG 29 8.243 -6.037 5.543 236 HH11 ARG 29 1HH1 ARG 29 9.566 -9.298 5.755 237 HH12 ARG 29 2HH1 ARG 29 7.997 -10.044 5.748 238 HH21 ARG 29 1HH2 ARG 29 6.230 -7.025 5.545 239 HH22 ARG 29 2HH2 ARG 29 6.118 -8.754 5.629 240 H TYR 30 H TYR 30 9.843 -3.606 2.327 241 HA TYR 30 HA TYR 30 7.816 -2.125 3.650 242 HB2 TYR 30 2HB TYR 30 9.710 -1.350 1.370 243 HB3 TYR 30 3HB TYR 30 8.744 -0.203 2.293 244 HD1 TYR 30 HD2 TYR 30 11.300 -2.933 2.888 245 HD2 TYR 30 HD1 TYR 30 9.835 0.915 4.062 246 HE1 TYR 30 HE2 TYR 30 13.125 -2.745 4.515 247 HE2 TYR 30 HE1 TYR 30 11.670 1.121 5.683 248 HH TYR 30 HH TYR 30 14.378 -0.917 5.695 249 H ILE 31 H ILE 31 8.104 -3.564 0.498 250 HA ILE 31 HA ILE 31 5.529 -2.467 -0.442 251 HB ILE 31 HB ILE 31 7.803 -3.925 -1.891 252 HG12 ILE 31 2HG1 ILE 31 7.687 -1.874 -3.412 253 HG13 ILE 31 3HG1 ILE 31 6.547 -1.163 -2.280 254 HG21 ILE 31 1HG2 ILE 31 6.446 -3.860 -3.979 255 HG22 ILE 31 2HG2 ILE 31 5.050 -3.332 -3.040 256 HG23 ILE 31 3HG2 ILE 31 5.749 -4.926 -2.757 257 HD11 ILE 31 3HD1 ILE 31 8.270 -1.140 -0.557 258 HD12 ILE 31 1HD1 ILE 31 8.804 -0.289 -2.007 259 HD13 ILE 31 2HD1 ILE 31 9.405 -1.912 -1.667 260 H ARG 32 H ARG 32 3.784 -3.679 -0.101 261 HA ARG 32 HA ARG 32 3.878 -6.620 -0.220 262 HB2 ARG 32 2HB ARG 32 3.908 -6.074 2.185 263 HB3 ARG 32 3HB ARG 32 2.570 -4.954 1.983 264 HG2 ARG 32 2HG ARG 32 1.781 -6.993 3.030 265 HG3 ARG 32 3HG ARG 32 1.066 -6.843 1.427 266 HD2 ARG 32 2HD ARG 32 2.714 -8.472 0.564 267 HD3 ARG 32 3HD ARG 32 3.402 -8.639 2.181 268 HE ARG 32 HE ARG 32 0.766 -9.602 1.259 269 HH11 ARG 32 1HH1 ARG 32 3.133 -9.449 3.865 270 HH12 ARG 32 2HH1 ARG 32 2.383 -10.717 4.777 271 HH21 ARG 32 1HH2 ARG 32 -0.155 -11.309 2.445 272 HH22 ARG 32 2HH2 ARG 32 0.527 -11.768 3.973 273 H THR 33 H THR 33 1.939 -7.520 -1.053 274 HA THR 33 HA THR 33 0.107 -5.601 -2.364 275 HB THR 33 HB THR 33 -0.509 -7.448 -3.875 276 HG1 THR 33 HG1 THR 33 -0.292 -9.261 -2.599 277 HG21 THR 33 3HG2 THR 33 1.477 -6.111 -4.497 278 HG22 THR 33 1HG2 THR 33 1.634 -7.785 -5.040 279 HG23 THR 33 2HG2 THR 33 2.514 -7.236 -3.614 280 H ALA 34 H ALA 34 -1.934 -5.433 -1.627 281 HA ALA 34 HA ALA 34 -3.109 -7.551 0.063 282 HB1 ALA 34 3HB ALA 34 -3.349 -5.271 0.928 283 HB2 ALA 34 1HB ALA 34 -4.929 -5.915 0.470 284 HB3 ALA 34 2HB ALA 34 -4.112 -4.750 -0.576 285 H THR 35 H THR 35 -3.584 -9.127 -1.401 286 HA THR 35 HA THR 35 -5.556 -8.483 -3.528 287 HB THR 35 HB THR 35 -3.512 -9.536 -4.421 288 HG1 THR 35 HG1 THR 35 -5.210 -10.077 -5.630 289 HG21 THR 35 3HG2 THR 35 -4.198 -11.968 -2.722 290 HG22 THR 35 1HG2 THR 35 -2.827 -10.888 -2.446 291 HG23 THR 35 2HG2 THR 35 -2.904 -11.859 -3.916 292 H SER 36 H SER 36 -5.061 -9.898 -0.494 293 HA SER 36 HA SER 36 -7.874 -10.732 -0.376 294 HB2 SER 36 2HB SER 36 -6.544 -12.809 -0.621 295 HB3 SER 36 3HB SER 36 -5.505 -12.328 0.720 296 HG SER 36 HG SER 36 -8.251 -13.043 0.788 297 H SER 37 H SER 37 -8.783 -10.485 1.701 298 HA SER 37 HA SER 37 -7.821 -8.484 3.436 299 HB2 SER 37 2HB SER 37 -9.831 -10.692 4.032 300 HB3 SER 37 3HB SER 37 -9.706 -9.130 4.853 301 HG SER 37 HG SER 37 -10.830 -8.274 3.304 302 H GLN 38 H GLN 38 -7.219 -11.886 3.228 303 HA GLN 38 HA GLN 38 -6.115 -12.356 5.796 304 HB2 GLN 38 2HB GLN 38 -5.896 -13.795 3.131 305 HB3 GLN 38 3HB GLN 38 -4.976 -14.338 4.529 306 HG2 GLN 38 2HG GLN 38 -7.054 -15.634 4.219 307 HG3 GLN 38 3HG GLN 38 -7.019 -14.801 5.767 308 HE21 GLN 38 1HE2 GLN 38 -8.500 -14.883 2.593 309 HE22 GLN 38 2HE2 GLN 38 -9.871 -13.910 2.994 310 H ASP 39 H ASP 39 -4.652 -11.238 2.687 311 HA ASP 39 HA ASP 39 -2.010 -10.878 3.631 312 HB2 ASP 39 2HB ASP 39 -3.561 -9.185 1.603 313 HB3 ASP 39 3HB ASP 39 -1.835 -9.016 1.901 314 H ILE 40 H ILE 40 -4.843 -8.750 3.668 315 HA ILE 40 HA ILE 40 -3.661 -6.367 4.441 316 HB ILE 40 HB ILE 40 -6.482 -7.436 4.716 317 HG12 ILE 40 2HG1 ILE 40 -5.194 -5.344 2.900 318 HG13 ILE 40 3HG1 ILE 40 -5.634 -6.985 2.443 319 HG21 ILE 40 1HG2 ILE 40 -7.297 -5.176 5.277 320 HG22 ILE 40 2HG2 ILE 40 -5.632 -4.623 5.461 321 HG23 ILE 40 3HG2 ILE 40 -6.279 -5.847 6.555 322 HD11 ILE 40 3HD1 ILE 40 -7.215 -5.430 1.559 323 HD12 ILE 40 1HD1 ILE 40 -7.523 -4.754 3.159 324 HD13 ILE 40 2HD1 ILE 40 -8.001 -6.414 2.792 325 H ARG 41 H ARG 41 -5.481 -8.534 6.743 326 HA ARG 41 HA ARG 41 -4.763 -7.065 9.030 327 HB2 ARG 41 2HB ARG 41 -5.725 -9.910 8.685 328 HB3 ARG 41 3HB ARG 41 -5.137 -9.395 10.260 329 HG2 ARG 41 2HG ARG 41 -7.482 -9.118 10.349 330 HG3 ARG 41 3HG ARG 41 -6.826 -7.492 10.156 331 HD2 ARG 41 2HD ARG 41 -8.759 -7.696 8.735 332 HD3 ARG 41 3HD ARG 41 -7.335 -7.665 7.688 333 HE ARG 41 HE ARG 41 -7.561 -10.210 7.737 334 HH11 ARG 41 1HH1 ARG 41 -10.376 -8.088 7.874 335 HH12 ARG 41 2HH1 ARG 41 -11.437 -9.262 7.160 336 HH21 ARG 41 1HH2 ARG 41 -8.950 -11.720 6.808 337 HH22 ARG 41 2HH2 ARG 41 -10.618 -11.325 6.559 338 H ASP 42 H ASP 42 -3.042 -9.664 7.366 339 HA ASP 42 HA ASP 42 -1.047 -10.205 9.283 340 HB2 ASP 42 2HB ASP 42 -1.516 -11.695 7.363 341 HB3 ASP 42 3HB ASP 42 -0.943 -10.464 6.243 342 H ILE 43 H ILE 43 -1.246 -7.731 6.728 343 HA ILE 43 HA ILE 43 1.396 -6.699 6.884 344 HB ILE 43 HB ILE 43 -1.190 -5.177 6.236 345 HG12 ILE 43 2HG1 ILE 43 0.710 -6.454 4.220 346 HG13 ILE 43 3HG1 ILE 43 -0.715 -7.273 4.827 347 HG21 ILE 43 1HG2 ILE 43 0.238 -3.602 4.987 348 HG22 ILE 43 2HG2 ILE 43 1.681 -4.488 5.481 349 HG23 ILE 43 3HG2 ILE 43 0.702 -3.653 6.690 350 HD11 ILE 43 3HD1 ILE 43 -1.181 -6.319 2.683 351 HD12 ILE 43 1HD1 ILE 43 -0.669 -4.724 3.233 352 HD13 ILE 43 2HD1 ILE 43 -2.118 -5.468 3.909 353 H ILE 44 H ILE 44 -1.604 -5.873 8.537 354 HA ILE 44 HA ILE 44 -0.635 -3.571 9.920 355 HB ILE 44 HB ILE 44 -3.189 -5.215 10.215 356 HG12 ILE 44 2HG1 ILE 44 -2.709 -2.596 8.700 357 HG13 ILE 44 3HG1 ILE 44 -2.728 -4.183 7.943 358 HG21 ILE 44 1HG2 ILE 44 -2.824 -3.884 12.257 359 HG22 ILE 44 2HG2 ILE 44 -4.188 -3.258 11.329 360 HG23 ILE 44 3HG2 ILE 44 -2.634 -2.422 11.283 361 HD11 ILE 44 3HD1 ILE 44 -5.049 -2.829 9.302 362 HD12 ILE 44 1HD1 ILE 44 -5.075 -4.451 8.600 363 HD13 ILE 44 2HD1 ILE 44 -4.801 -3.047 7.569 364 H LYS 45 H LYS 45 -0.875 -7.000 10.756 365 HA LYS 45 HA LYS 45 -0.522 -6.863 13.562 366 HB2 LYS 45 2HB LYS 45 0.360 -9.019 11.597 367 HB3 LYS 45 3HB LYS 45 0.410 -9.210 13.348 368 HG2 LYS 45 2HG LYS 45 -1.988 -9.138 13.511 369 HG3 LYS 45 3HG LYS 45 -2.149 -8.653 11.823 370 HD2 LYS 45 2HD LYS 45 -1.114 -10.880 11.169 371 HD3 LYS 45 3HD LYS 45 -1.195 -11.352 12.869 372 HE2 LYS 45 2HE LYS 45 -3.660 -11.082 12.810 373 HE3 LYS 45 3HE LYS 45 -3.562 -10.621 11.108 374 HZ1 LYS 45 3HZ LYS 45 -4.154 -12.977 11.490 375 HZ2 LYS 45 1HZ LYS 45 -2.636 -13.239 12.174 376 HZ3 LYS 45 2HZ LYS 45 -2.766 -12.791 10.546 377 H SER 46 H SER 46 1.816 -7.009 10.884 378 HA SER 46 HA SER 46 4.150 -6.984 12.591 379 HB2 SER 46 2HB SER 46 5.396 -6.871 10.391 380 HB3 SER 46 3HB SER 46 4.288 -8.235 10.515 381 HG SER 46 HG SER 46 2.895 -7.248 9.143 382 H MET 47 H MET 47 2.170 -4.621 10.924 383 HA MET 47 HA MET 47 4.082 -2.507 10.798 384 HB2 MET 47 2HB MET 47 1.056 -2.557 10.593 385 HB3 MET 47 3HB MET 47 1.944 -1.036 10.574 386 HG2 MET 47 2HG MET 47 2.183 -3.290 8.577 387 HG3 MET 47 3HG MET 47 1.485 -1.693 8.313 388 HE1 MET 47 3HE MET 47 2.950 0.557 8.120 389 HE2 MET 47 1HE MET 47 4.683 0.601 8.439 390 HE3 MET 47 2HE MET 47 3.555 0.264 9.750 391 H LYS 48 H LYS 48 2.224 -3.747 13.402 392 HA LYS 48 HA LYS 48 2.261 -1.448 15.116 393 HB2 LYS 48 2HB LYS 48 2.086 -4.421 15.779 394 HB3 LYS 48 3HB LYS 48 1.795 -3.114 16.926 395 HG2 LYS 48 2HG LYS 48 -0.103 -2.334 15.502 396 HG3 LYS 48 3HG LYS 48 0.151 -3.734 14.450 397 HD2 LYS 48 2HD LYS 48 -0.472 -3.927 17.428 398 HD3 LYS 48 3HD LYS 48 -1.693 -4.006 16.162 399 HE2 LYS 48 2HE LYS 48 -0.631 -6.025 15.244 400 HE3 LYS 48 3HE LYS 48 0.617 -5.945 16.490 401 HZ1 LYS 48 3HZ LYS 48 -1.129 -6.211 18.167 402 HZ2 LYS 48 1HZ LYS 48 -1.090 -7.525 17.098 403 HZ3 LYS 48 2HZ LYS 48 -2.290 -6.342 16.950 404 H ASP 49 H ASP 49 4.369 -4.204 14.556 405 HA ASP 49 HA ASP 49 6.380 -3.535 16.518 406 HB2 ASP 49 2HB ASP 49 6.539 -5.448 14.133 407 HB3 ASP 49 3HB ASP 49 7.629 -5.413 15.518 408 H ASN 50 H ASN 50 5.826 -2.976 13.103 409 HA ASN 50 HA ASN 50 8.426 -2.023 12.399 410 HB2 ASN 50 2HB ASN 50 5.718 -1.680 11.026 411 HB3 ASN 50 3HB ASN 50 7.231 -1.093 10.345 412 HD21 ASN 50 1HD2 ASN 50 5.333 -3.055 9.313 413 HD22 ASN 50 2HD2 ASN 50 6.239 -4.496 9.042 414 H GLY 51 H GLY 51 9.266 -0.165 13.186 415 HA2 GLY 51 2HA GLY 51 7.589 2.283 13.361 416 HA3 GLY 51 3HA GLY 51 9.229 2.089 13.990 417 H LYS 52 H LYS 52 7.710 1.425 10.842 418 HA LYS 52 HA LYS 52 9.568 3.163 9.414 419 HB2 LYS 52 2HB LYS 52 10.433 1.345 7.987 420 HB3 LYS 52 3HB LYS 52 10.836 1.045 9.672 421 HG2 LYS 52 2HG LYS 52 9.101 -0.650 9.854 422 HG3 LYS 52 3HG LYS 52 8.510 -0.275 8.232 423 HD2 LYS 52 2HD LYS 52 9.860 -2.327 8.197 424 HD3 LYS 52 3HD LYS 52 10.645 -1.055 7.261 425 HE2 LYS 52 2HE LYS 52 12.111 -0.586 9.254 426 HE3 LYS 52 3HE LYS 52 11.387 -1.981 10.055 427 HZ1 LYS 52 3HZ LYS 52 13.479 -2.557 9.018 428 HZ2 LYS 52 1HZ LYS 52 12.919 -2.049 7.506 429 HZ3 LYS 52 2HZ LYS 52 12.218 -3.385 8.265 430 HA PRO 53 HA PRO 53 6.030 3.451 6.690 431 HB2 PRO 53 2HB PRO 53 7.101 4.247 4.328 432 HB3 PRO 53 3HB PRO 53 7.192 5.279 5.774 433 HG2 PRO 53 2HG PRO 53 9.286 3.425 4.666 434 HG3 PRO 53 3HG PRO 53 9.453 5.122 5.178 435 HD2 PRO 53 2HD PRO 53 10.136 3.052 6.810 436 HD3 PRO 53 3HD PRO 53 9.483 4.581 7.443 437 H LEU 54 H LEU 54 4.793 2.135 5.447 438 HA LEU 54 HA LEU 54 6.082 0.176 3.651 439 HB2 LEU 54 2HB LEU 54 3.932 -0.218 5.674 440 HB3 LEU 54 3HB LEU 54 3.527 -0.861 4.092 441 HG LEU 54 HG LEU 54 5.725 -2.131 4.132 442 HD11 LEU 54 1HD1 LEU 54 5.792 -1.347 7.053 443 HD12 LEU 54 2HD1 LEU 54 6.929 -0.840 5.805 444 HD13 LEU 54 3HD1 LEU 54 6.835 -2.534 6.268 445 HD21 LEU 54 3HD2 LEU 54 3.670 -2.831 6.245 446 HD22 LEU 54 1HD2 LEU 54 4.861 -3.936 5.552 447 HD23 LEU 54 2HD2 LEU 54 3.605 -3.245 4.530 448 H VAL 55 H VAL 55 4.378 -0.589 2.021 449 HA VAL 55 HA VAL 55 2.664 1.489 0.931 450 HB VAL 55 HB VAL 55 4.995 0.337 -0.708 451 HG11 VAL 55 1HG1 VAL 55 2.719 2.159 -1.587 452 HG12 VAL 55 2HG1 VAL 55 2.949 0.472 -2.055 453 HG13 VAL 55 3HG1 VAL 55 4.105 1.693 -2.576 454 HG21 VAL 55 3HG2 VAL 55 5.746 2.681 -0.981 455 HG22 VAL 55 1HG2 VAL 55 5.738 2.205 0.719 456 HG23 VAL 55 2HG2 VAL 55 4.449 3.231 0.084 457 H VAL 56 H VAL 56 0.859 0.285 0.842 458 HA VAL 56 HA VAL 56 0.995 -2.568 0.114 459 HB VAL 56 HB VAL 56 -1.200 -0.971 1.500 460 HG11 VAL 56 1HG1 VAL 56 -1.242 -3.911 0.707 461 HG12 VAL 56 2HG1 VAL 56 -2.281 -2.637 0.062 462 HG13 VAL 56 3HG1 VAL 56 -2.423 -3.117 1.753 463 HG21 VAL 56 3HG2 VAL 56 0.759 -1.539 2.899 464 HG22 VAL 56 1HG2 VAL 56 0.564 -3.247 2.493 465 HG23 VAL 56 2HG2 VAL 56 -0.679 -2.410 3.430 466 H PHE 57 H PHE 57 0.853 -2.887 -1.980 467 HA PHE 57 HA PHE 57 -0.730 -1.281 -3.799 468 HB2 PHE 57 2HB PHE 57 0.983 -3.784 -4.157 469 HB3 PHE 57 3HB PHE 57 0.091 -3.037 -5.479 470 HD1 PHE 57 HD1 PHE 57 0.659 -0.723 -6.225 471 HD2 PHE 57 HD2 PHE 57 3.093 -2.821 -3.395 472 HE1 PHE 57 HE1 PHE 57 2.494 0.854 -6.620 473 HE2 PHE 57 HE2 PHE 57 4.929 -1.231 -3.809 474 HZ PHE 57 HZ PHE 57 4.631 0.609 -5.415 475 H VAL 58 H VAL 58 -2.861 -1.543 -3.740 476 HA VAL 58 HA VAL 58 -4.166 -3.951 -2.831 477 HB VAL 58 HB VAL 58 -5.324 -1.376 -4.006 478 HG11 VAL 58 1HG1 VAL 58 -6.786 -3.637 -2.583 479 HG12 VAL 58 2HG1 VAL 58 -6.921 -3.228 -4.295 480 HG13 VAL 58 3HG1 VAL 58 -7.498 -2.095 -3.073 481 HG21 VAL 58 3HG2 VAL 58 -5.857 -0.795 -1.666 482 HG22 VAL 58 1HG2 VAL 58 -4.120 -1.025 -1.881 483 HG23 VAL 58 2HG2 VAL 58 -5.089 -2.283 -1.107 484 H ASN 59 H ASN 59 -3.554 -5.539 -4.270 485 HA ASN 59 HA ASN 59 -4.092 -5.317 -7.128 486 HB2 ASN 59 2HB ASN 59 -2.041 -6.439 -6.554 487 HB3 ASN 59 3HB ASN 59 -2.842 -7.480 -5.388 488 HD21 ASN 59 1HD2 ASN 59 -2.412 -6.861 -8.836 489 HD22 ASN 59 2HD2 ASN 59 -2.871 -8.436 -9.370 490 H GLY 60 H GLY 60 -6.365 -5.154 -7.221 491 HA2 GLY 60 2HA GLY 60 -8.265 -6.269 -7.968 492 HA3 GLY 60 3HA GLY 60 -7.648 -7.769 -7.298 493 H ALA 61 H ALA 61 -7.279 -6.303 -4.613 494 HA ALA 61 HA ALA 61 -9.627 -7.232 -3.391 495 HB1 ALA 61 3HB ALA 61 -7.556 -5.302 -2.284 496 HB2 ALA 61 1HB ALA 61 -7.491 -7.065 -2.192 497 HB3 ALA 61 2HB ALA 61 -8.752 -6.183 -1.327 498 H SER 62 H SER 62 -11.509 -6.261 -2.766 499 HA SER 62 HA SER 62 -12.319 -3.848 -4.144 500 HB2 SER 62 2HB SER 62 -13.866 -5.707 -2.282 501 HB3 SER 62 3HB SER 62 -14.578 -4.416 -3.259 502 HG SER 62 HG SER 62 -13.111 -6.622 -4.291 503 H GLN 63 H GLN 63 -13.846 -2.318 -2.862 504 HA GLN 63 HA GLN 63 -12.288 -0.901 -0.973 505 HB2 GLN 63 2HB GLN 63 -13.867 0.221 -2.508 506 HB3 GLN 63 3HB GLN 63 -15.232 -0.540 -1.696 507 HG2 GLN 63 2HG GLN 63 -14.952 1.815 -1.020 508 HG3 GLN 63 3HG GLN 63 -14.761 0.721 0.351 509 HE21 GLN 63 1HE2 GLN 63 -13.554 2.143 1.566 510 HE22 GLN 63 2HE2 GLN 63 -11.948 2.630 1.155 511 H ASN 64 H ASN 64 -14.769 -3.343 -0.603 512 HA ASN 64 HA ASN 64 -15.475 -3.094 2.098 513 HB2 ASN 64 2HB ASN 64 -15.059 -5.649 0.463 514 HB3 ASN 64 3HB ASN 64 -15.866 -5.588 2.028 515 HD21 ASN 64 1HD2 ASN 64 -17.750 -6.475 1.097 516 HD22 ASN 64 2HD2 ASN 64 -18.807 -5.528 0.109 517 H ASP 65 H ASP 65 -12.688 -4.635 0.571 518 HA ASP 65 HA ASP 65 -11.516 -5.686 2.981 519 HB2 ASP 65 2HB ASP 65 -10.120 -5.263 0.305 520 HB3 ASP 65 3HB ASP 65 -9.681 -6.403 1.577 521 H VAL 66 H VAL 66 -11.003 -2.873 0.894 522 HA VAL 66 HA VAL 66 -8.731 -1.745 2.145 523 HB VAL 66 HB VAL 66 -10.987 -0.504 0.508 524 HG11 VAL 66 1HG1 VAL 66 -8.488 0.949 1.455 525 HG12 VAL 66 2HG1 VAL 66 -10.142 1.302 1.948 526 HG13 VAL 66 3HG1 VAL 66 -9.647 1.563 0.276 527 HG21 VAL 66 3HG2 VAL 66 -9.273 -0.386 -1.267 528 HG22 VAL 66 1HG2 VAL 66 -9.484 -2.041 -0.688 529 HG23 VAL 66 2HG2 VAL 66 -8.083 -1.099 -0.173 530 H ASN 67 H ASN 67 -12.184 -1.539 2.852 531 HA ASN 67 HA ASN 67 -12.015 0.409 4.915 532 HB2 ASN 67 2HB ASN 67 -14.136 -1.693 4.299 533 HB3 ASN 67 3HB ASN 67 -14.291 -0.547 5.630 534 HD21 ASN 67 1HD2 ASN 67 -15.888 -0.898 3.154 535 HD22 ASN 67 2HD2 ASN 67 -15.896 0.643 2.379 536 H GLU 68 H GLU 68 -11.886 -3.172 4.934 537 HA GLU 68 HA GLU 68 -11.632 -3.486 7.740 538 HB2 GLU 68 2HB GLU 68 -10.578 -5.295 5.518 539 HB3 GLU 68 3HB GLU 68 -10.691 -5.736 7.223 540 HG2 GLU 68 2HG GLU 68 -13.174 -5.408 7.095 541 HG3 GLU 68 3HG GLU 68 -12.997 -5.108 5.364 542 H PHE 69 H PHE 69 -9.273 -2.768 5.210 543 HA PHE 69 HA PHE 69 -6.895 -3.026 6.715 544 HB2 PHE 69 2HB PHE 69 -6.810 -2.792 4.267 545 HB3 PHE 69 3HB PHE 69 -7.520 -1.185 4.352 546 HD1 PHE 69 HD1 PHE 69 -4.449 -3.169 5.060 547 HD2 PHE 69 HD2 PHE 69 -6.140 0.760 4.845 548 HE1 PHE 69 HE1 PHE 69 -2.200 -2.179 5.228 549 HE2 PHE 69 HE2 PHE 69 -3.890 1.733 5.013 550 HZ PHE 69 HZ PHE 69 -1.927 0.266 5.210 551 H GLN 70 H GLN 70 -8.751 -0.110 5.907 552 HA GLN 70 HA GLN 70 -7.492 1.732 7.514 553 HB2 GLN 70 2HB GLN 70 -10.425 1.629 6.690 554 HB3 GLN 70 3HB GLN 70 -9.604 3.066 7.302 555 HG2 GLN 70 2HG GLN 70 -8.110 3.083 5.355 556 HG3 GLN 70 3HG GLN 70 -8.831 1.588 4.765 557 HE21 GLN 70 1HE2 GLN 70 -10.960 1.651 3.906 558 HE22 GLN 70 2HE2 GLN 70 -11.659 3.127 3.349 559 H ASN 71 H ASN 71 -10.125 -0.481 8.407 560 HA ASN 71 HA ASN 71 -10.698 0.594 10.976 561 HB2 ASN 71 2HB ASN 71 -11.206 -2.197 9.858 562 HB3 ASN 71 3HB ASN 71 -11.817 -1.645 11.417 563 HD21 ASN 71 1HD2 ASN 71 -13.337 -2.565 9.180 564 HD22 ASN 71 2HD2 ASN 71 -14.360 -1.265 8.684 565 H GLU 72 H GLU 72 -9.002 -2.480 10.165 566 HA GLU 72 HA GLU 72 -8.063 -3.010 12.705 567 HB2 GLU 72 2HB GLU 72 -6.735 -3.804 10.091 568 HB3 GLU 72 3HB GLU 72 -6.414 -4.532 11.659 569 HG2 GLU 72 2HG GLU 72 -8.954 -4.687 10.027 570 HG3 GLU 72 3HG GLU 72 -7.853 -5.997 10.426 571 H ALA 73 H ALA 73 -6.410 -1.154 10.114 572 HA ALA 73 HA ALA 73 -3.998 -0.669 11.382 573 HB1 ALA 73 3HB ALA 73 -4.438 -0.121 9.026 574 HB2 ALA 73 1HB ALA 73 -3.766 1.264 9.888 575 HB3 ALA 73 2HB ALA 73 -5.494 1.205 9.525 576 H LYS 74 H LYS 74 -6.854 1.513 11.393 577 HA LYS 74 HA LYS 74 -5.744 3.398 13.154 578 HB2 LYS 74 2HB LYS 74 -7.880 4.472 13.235 579 HB3 LYS 74 3HB LYS 74 -7.670 3.826 11.613 580 HG2 LYS 74 2HG LYS 74 -9.105 1.849 12.364 581 HG3 LYS 74 3HG LYS 74 -9.478 2.787 13.810 582 HD2 LYS 74 2HD LYS 74 -10.080 3.581 10.931 583 HD3 LYS 74 3HD LYS 74 -11.252 3.041 12.132 584 HE2 LYS 74 2HE LYS 74 -10.854 5.053 13.471 585 HE3 LYS 74 3HE LYS 74 -9.591 5.576 12.350 586 HZ1 LYS 74 3HZ LYS 74 -12.474 5.262 11.689 587 HZ2 LYS 74 1HZ LYS 74 -11.266 5.722 10.601 588 HZ3 LYS 74 2HZ LYS 74 -11.655 6.723 11.899 589 H LYS 75 H LYS 75 -7.462 0.388 13.958 590 HA LYS 75 HA LYS 75 -7.837 1.173 16.755 591 HB2 LYS 75 2HB LYS 75 -8.929 -0.944 17.090 592 HB3 LYS 75 3HB LYS 75 -9.492 -0.312 15.547 593 HG2 LYS 75 2HG LYS 75 -7.935 -1.827 14.362 594 HG3 LYS 75 3HG LYS 75 -7.369 -2.447 15.912 595 HD2 LYS 75 2HD LYS 75 -8.954 -4.003 14.919 596 HD3 LYS 75 3HD LYS 75 -9.626 -3.317 16.399 597 HE2 LYS 75 2HE LYS 75 -11.074 -1.848 15.114 598 HE3 LYS 75 3HE LYS 75 -10.310 -2.351 13.601 599 HZ1 LYS 75 3HZ LYS 75 -11.807 -4.158 15.423 600 HZ2 LYS 75 1HZ LYS 75 -11.148 -4.568 13.921 601 HZ3 LYS 75 2HZ LYS 75 -12.426 -3.469 14.015 602 H GLU 76 H GLU 76 -5.524 -0.640 14.825 603 HA GLU 76 HA GLU 76 -4.049 -1.637 17.149 604 HB2 GLU 76 2HB GLU 76 -3.447 -1.864 14.168 605 HB3 GLU 76 3HB GLU 76 -2.524 -2.639 15.445 606 HG2 GLU 76 2HG GLU 76 -5.382 -3.240 14.643 607 HG3 GLU 76 3HG GLU 76 -3.972 -4.264 14.402 608 H GLY 77 H GLY 77 -4.227 1.286 15.587 609 HA2 GLY 77 2HA GLY 77 -3.064 3.215 16.162 610 HA3 GLY 77 3HA GLY 77 -1.807 2.242 16.907 611 H VAL 78 H VAL 78 -2.397 1.027 13.865 612 HA VAL 78 HA VAL 78 0.060 2.018 12.742 613 HB VAL 78 HB VAL 78 -2.154 0.336 11.462 614 HG11 VAL 78 1HG1 VAL 78 -0.755 1.415 9.743 615 HG12 VAL 78 2HG1 VAL 78 -0.485 -0.328 9.779 616 HG13 VAL 78 3HG1 VAL 78 0.703 0.763 10.499 617 HG21 VAL 78 3HG2 VAL 78 0.436 -0.572 12.776 618 HG22 VAL 78 1HG2 VAL 78 -0.733 -1.615 11.958 619 HG23 VAL 78 2HG2 VAL 78 -1.190 -0.768 13.437 620 H SER 79 H SER 79 0.300 3.801 11.541 621 HA SER 79 HA SER 79 -1.958 5.422 10.681 622 HB2 SER 79 2HB SER 79 1.045 5.861 10.387 623 HB3 SER 79 3HB SER 79 -0.209 7.067 10.079 624 HG SER 79 HG SER 79 -0.072 5.780 12.585 625 H TYR 80 H TYR 80 -2.097 6.260 8.418 626 HA TYR 80 HA TYR 80 -0.857 4.914 6.220 627 HB2 TYR 80 2HB TYR 80 -2.866 3.742 5.328 628 HB3 TYR 80 3HB TYR 80 -2.380 3.079 6.882 629 HD1 TYR 80 HD1 TYR 80 -3.777 3.484 8.916 630 HD2 TYR 80 HD2 TYR 80 -5.038 4.889 5.080 631 HE1 TYR 80 HE1 TYR 80 -6.045 3.837 9.791 632 HE2 TYR 80 HE2 TYR 80 -7.306 5.240 5.960 633 HH TYR 80 HH TYR 80 -8.030 5.136 9.304 634 H ASP 81 H ASP 81 -1.475 5.786 4.166 635 HA ASP 81 HA ASP 81 -3.505 7.961 4.125 636 HB2 ASP 81 2HB ASP 81 -0.971 7.805 2.415 637 HB3 ASP 81 3HB ASP 81 -2.189 9.072 2.330 638 H VAL 82 H VAL 82 -5.114 7.664 2.646 639 HA VAL 82 HA VAL 82 -5.066 5.301 0.919 640 HB VAL 82 HB VAL 82 -7.329 7.312 1.412 641 HG11 VAL 82 1HG1 VAL 82 -8.814 5.609 0.387 642 HG12 VAL 82 2HG1 VAL 82 -7.412 4.599 0.024 643 HG13 VAL 82 3HG1 VAL 82 -7.591 6.172 -0.755 644 HG21 VAL 82 3HG2 VAL 82 -8.323 5.572 2.872 645 HG22 VAL 82 1HG2 VAL 82 -6.744 6.086 3.475 646 HG23 VAL 82 2HG2 VAL 82 -6.906 4.546 2.629 647 H LEU 83 H LEU 83 -3.906 5.626 -0.864 648 HA LEU 83 HA LEU 83 -4.087 8.096 -2.480 649 HB2 LEU 83 2HB LEU 83 -1.832 7.189 -1.967 650 HB3 LEU 83 3HB LEU 83 -2.265 5.645 -2.679 651 HG LEU 83 HG LEU 83 -2.438 6.774 -4.926 652 HD11 LEU 83 1HD1 LEU 83 -1.475 9.004 -5.266 653 HD12 LEU 83 2HD1 LEU 83 -1.317 9.211 -3.520 654 HD13 LEU 83 3HD1 LEU 83 -2.918 9.060 -4.251 655 HD21 LEU 83 3HD2 LEU 83 0.256 7.019 -3.539 656 HD22 LEU 83 1HD2 LEU 83 -0.002 7.008 -5.289 657 HD23 LEU 83 2HD2 LEU 83 -0.396 5.581 -4.333 658 H LYS 84 H LYS 84 -5.681 8.095 -4.000 659 HA LYS 84 HA LYS 84 -6.188 5.627 -5.565 660 HB2 LYS 84 2HB LYS 84 -8.254 7.683 -4.649 661 HB3 LYS 84 3HB LYS 84 -8.564 6.447 -5.864 662 HG2 LYS 84 2HG LYS 84 -7.895 4.736 -4.037 663 HG3 LYS 84 3HG LYS 84 -8.070 6.077 -2.899 664 HD2 LYS 84 2HD LYS 84 -10.420 6.349 -3.494 665 HD3 LYS 84 3HD LYS 84 -10.264 5.180 -4.809 666 HE2 LYS 84 2HE LYS 84 -9.692 3.438 -3.053 667 HE3 LYS 84 3HE LYS 84 -10.146 4.628 -1.831 668 HZ1 LYS 84 3HZ LYS 84 -11.950 3.701 -4.000 669 HZ2 LYS 84 1HZ LYS 84 -12.365 4.669 -2.680 670 HZ3 LYS 84 2HZ LYS 84 -11.933 3.054 -2.444 671 H SER 85 H SER 85 -5.028 6.043 -7.282 672 HA SER 85 HA SER 85 -5.664 8.213 -9.115 673 HB2 SER 85 2HB SER 85 -2.884 8.064 -7.852 674 HB3 SER 85 3HB SER 85 -3.291 9.066 -9.246 675 HG SER 85 HG SER 85 -5.035 9.847 -7.639 676 H THR 86 H THR 86 -4.907 7.824 -11.242 677 HA THR 86 HA THR 86 -3.520 5.243 -11.754 678 HB THR 86 HB THR 86 -4.762 5.305 -14.023 679 HG1 THR 86 HG1 THR 86 -5.482 7.505 -13.830 680 HG21 THR 86 3HG2 THR 86 -6.833 4.303 -13.152 681 HG22 THR 86 1HG2 THR 86 -6.487 4.948 -11.549 682 HG23 THR 86 2HG2 THR 86 -5.432 3.717 -12.250 683 H ASP 87 H ASP 87 -1.444 5.877 -12.147 684 HA ASP 87 HA ASP 87 -0.769 7.045 -14.637 685 HB2 ASP 87 2HB ASP 87 -1.289 9.148 -13.272 686 HB3 ASP 87 3HB ASP 87 0.063 8.744 -12.226 687 HA PRO 88 HA PRO 88 2.083 3.784 -13.212 688 HB2 PRO 88 2HB PRO 88 3.675 3.761 -15.560 689 HB3 PRO 88 3HB PRO 88 2.208 2.808 -15.277 690 HG2 PRO 88 2HG PRO 88 2.521 5.393 -16.748 691 HG3 PRO 88 3HG PRO 88 1.487 3.994 -17.124 692 HD2 PRO 88 2HD PRO 88 0.447 6.221 -16.041 693 HD3 PRO 88 3HD PRO 88 -0.154 4.614 -15.570 694 H GLU 89 H GLU 89 3.337 6.929 -14.378 695 HA GLU 89 HA GLU 89 5.982 6.356 -13.202 696 HB2 GLU 89 2HB GLU 89 6.759 8.466 -14.147 697 HB3 GLU 89 3HB GLU 89 5.976 7.490 -15.385 698 HG2 GLU 89 2HG GLU 89 3.956 8.878 -15.204 699 HG3 GLU 89 3HG GLU 89 4.722 9.847 -13.952 700 H GLU 90 H GLU 90 3.152 8.427 -12.562 701 HA GLU 90 HA GLU 90 4.439 9.914 -10.459 702 HB2 GLU 90 2HB GLU 90 2.572 10.920 -11.716 703 HB3 GLU 90 3HB GLU 90 1.467 9.699 -11.087 704 HG2 GLU 90 2HG GLU 90 1.847 10.540 -8.786 705 HG3 GLU 90 3HG GLU 90 2.965 11.745 -9.413 706 H LEU 91 H LEU 91 2.257 7.114 -10.534 707 HA LEU 91 HA LEU 91 1.862 6.845 -7.746 708 HB2 LEU 91 2HB LEU 91 1.858 4.770 -9.964 709 HB3 LEU 91 3HB LEU 91 1.518 4.341 -8.296 710 HG LEU 91 HG LEU 91 -0.140 6.271 -9.979 711 HD11 LEU 91 1HD1 LEU 91 -0.789 3.433 -9.112 712 HD12 LEU 91 2HD1 LEU 91 -0.343 3.938 -10.744 713 HD13 LEU 91 3HD1 LEU 91 -1.843 4.520 -10.025 714 HD21 LEU 91 3HD2 LEU 91 -1.764 6.211 -8.137 715 HD22 LEU 91 1HD2 LEU 91 -0.216 6.853 -7.590 716 HD23 LEU 91 2HD2 LEU 91 -0.675 5.197 -7.185 717 H THR 92 H THR 92 4.487 5.772 -9.875 718 HA THR 92 HA THR 92 5.927 4.198 -8.005 719 HB THR 92 HB THR 92 6.940 5.629 -10.505 720 HG1 THR 92 HG1 THR 92 5.197 3.996 -10.700 721 HG21 THR 92 3HG2 THR 92 8.836 4.925 -9.055 722 HG22 THR 92 1HG2 THR 92 8.759 3.951 -10.527 723 HG23 THR 92 2HG2 THR 92 8.180 3.287 -8.999 724 H GLN 93 H GLN 93 6.134 7.681 -8.876 725 HA GLN 93 HA GLN 93 8.407 8.168 -7.204 726 HB2 GLN 93 2HB GLN 93 8.177 10.509 -7.676 727 HB3 GLN 93 3HB GLN 93 7.870 9.615 -9.157 728 HG2 GLN 93 2HG GLN 93 5.439 9.944 -8.821 729 HG3 GLN 93 3HG GLN 93 5.775 10.896 -7.384 730 HE21 GLN 93 1HE2 GLN 93 6.030 10.790 -10.880 731 HE22 GLN 93 2HE2 GLN 93 6.255 12.485 -11.105 732 H ARG 94 H ARG 94 4.937 8.134 -6.616 733 HA ARG 94 HA ARG 94 4.973 9.568 -4.133 734 HB2 ARG 94 2HB ARG 94 2.942 7.536 -5.172 735 HB3 ARG 94 3HB ARG 94 2.712 8.552 -3.754 736 HG2 ARG 94 2HG ARG 94 2.919 9.476 -6.633 737 HG3 ARG 94 3HG ARG 94 1.479 9.471 -5.623 738 HD2 ARG 94 2HD ARG 94 2.424 11.200 -4.192 739 HD3 ARG 94 3HD ARG 94 3.961 11.130 -5.066 740 HE ARG 94 HE ARG 94 1.582 11.789 -6.623 741 HH11 ARG 94 1HH1 ARG 94 4.440 13.036 -4.971 742 HH12 ARG 94 2HH1 ARG 94 4.396 14.555 -5.813 743 HH21 ARG 94 1HH2 ARG 94 1.566 13.774 -7.723 744 HH22 ARG 94 2HH2 ARG 94 2.777 14.965 -7.361 745 H VAL 95 H VAL 95 4.977 6.119 -5.000 746 HA VAL 95 HA VAL 95 5.116 4.897 -2.500 747 HB VAL 95 HB VAL 95 6.318 4.099 -5.194 748 HG11 VAL 95 1HG1 VAL 95 6.109 2.338 -2.722 749 HG12 VAL 95 2HG1 VAL 95 7.593 2.879 -3.505 750 HG13 VAL 95 3HG1 VAL 95 6.510 1.771 -4.345 751 HG21 VAL 95 3HG2 VAL 95 4.378 2.602 -5.368 752 HG22 VAL 95 1HG2 VAL 95 3.859 4.272 -5.132 753 HG23 VAL 95 2HG2 VAL 95 3.803 3.134 -3.786 754 H ARG 96 H ARG 96 7.805 5.926 -4.617 755 HA ARG 96 HA ARG 96 9.812 4.916 -2.866 756 HB2 ARG 96 2HB ARG 96 11.416 5.636 -4.476 757 HB3 ARG 96 3HB ARG 96 10.022 5.042 -5.366 758 HG2 ARG 96 2HG ARG 96 9.310 7.471 -5.642 759 HG3 ARG 96 3HG ARG 96 10.887 7.921 -4.990 760 HD2 ARG 96 2HD ARG 96 10.311 6.393 -7.551 761 HD3 ARG 96 3HD ARG 96 11.028 7.995 -7.394 762 HE ARG 96 HE ARG 96 12.342 5.441 -6.660 763 HH11 ARG 96 1HH1 ARG 96 12.633 8.814 -7.682 764 HH12 ARG 96 2HH1 ARG 96 14.363 8.729 -7.863 765 HH21 ARG 96 1HH2 ARG 96 14.578 5.351 -6.901 766 HH22 ARG 96 2HH2 ARG 96 15.461 6.755 -7.417 767 H GLU 97 H GLU 97 8.500 8.205 -3.442 768 HA GLU 97 HA GLU 97 10.448 9.565 -1.847 769 HB2 GLU 97 2HB GLU 97 9.096 11.546 -2.003 770 HB3 GLU 97 3HB GLU 97 8.969 10.727 -3.555 771 HG2 GLU 97 2HG GLU 97 6.747 9.905 -3.003 772 HG3 GLU 97 3HG GLU 97 6.878 10.526 -1.363 773 H PHE 98 H PHE 98 7.317 8.047 -1.131 774 HA PHE 98 HA PHE 98 6.926 9.038 1.484 775 HB2 PHE 98 2HB PHE 98 5.169 7.930 0.113 776 HB3 PHE 98 3HB PHE 98 6.027 6.400 0.232 777 HD1 PHE 98 HD1 PHE 98 4.206 8.978 2.225 778 HD2 PHE 98 HD2 PHE 98 5.661 4.953 2.121 779 HE1 PHE 98 HE1 PHE 98 2.947 8.462 4.278 780 HE2 PHE 98 HE2 PHE 98 4.398 4.456 4.171 781 HZ PHE 98 HZ PHE 98 3.047 6.204 5.243 782 H LEU 99 H LEU 99 8.536 6.149 0.216 783 HA LEU 99 HA LEU 99 9.356 5.087 2.737 784 HB2 LEU 99 2HB LEU 99 10.402 4.592 -0.076 785 HB3 LEU 99 3HB LEU 99 10.853 3.635 1.329 786 HG LEU 99 HG LEU 99 8.015 3.862 0.230 787 HD11 LEU 99 1HD1 LEU 99 9.429 2.656 -1.343 788 HD12 LEU 99 2HD1 LEU 99 8.287 1.562 -0.571 789 HD13 LEU 99 3HD1 LEU 99 9.979 1.570 -0.063 790 HD21 LEU 99 3HD2 LEU 99 8.012 3.433 2.630 791 HD22 LEU 99 1HD2 LEU 99 9.116 2.070 2.420 792 HD23 LEU 99 2HD2 LEU 99 7.481 2.000 1.756 793 H LYS 100 H LYS 100 10.611 7.661 0.784 794 HA LYS 100 HA LYS 100 13.276 7.643 1.990 795 HB2 LYS 100 2HB LYS 100 11.934 9.479 -0.032 796 HB3 LYS 100 3HB LYS 100 13.519 9.837 0.640 797 HG2 LYS 100 2HG LYS 100 12.834 7.332 -0.936 798 HG3 LYS 100 3HG LYS 100 13.628 8.765 -1.593 799 HD2 LYS 100 2HD LYS 100 15.543 8.430 -0.095 800 HD3 LYS 100 3HD LYS 100 14.746 7.044 0.655 801 HE2 LYS 100 2HE LYS 100 15.623 7.217 -2.252 802 HE3 LYS 100 3HE LYS 100 16.460 6.341 -0.970 803 HZ1 LYS 100 3HZ LYS 100 13.745 5.759 -2.014 804 HZ2 LYS 100 1HZ LYS 100 14.463 4.964 -0.710 805 HZ3 LYS 100 2HZ LYS 100 15.135 4.834 -2.251 806 H THR 101 H THR 101 10.209 9.411 2.391 807 HA THR 101 HA THR 101 11.473 11.517 3.998 808 HB THR 101 HB THR 101 9.101 12.492 3.988 809 HG1 THR 101 HG1 THR 101 8.364 10.969 1.809 810 HG21 THR 101 3HG2 THR 101 10.808 13.290 2.372 811 HG22 THR 101 1HG2 THR 101 9.202 13.269 1.640 812 HG23 THR 101 2HG2 THR 101 10.361 11.996 1.257 813 H ALA 102 H ALA 102 8.816 9.113 4.315 814 HA ALA 102 HA ALA 102 8.693 9.324 7.196 815 HB1 ALA 102 3HB ALA 102 7.506 7.215 5.357 816 HB2 ALA 102 1HB ALA 102 6.697 8.689 5.896 817 HB3 ALA 102 2HB ALA 102 7.114 7.434 7.066 818 H GLY 103 H GLY 103 10.608 7.541 4.923 819 HA2 GLY 103 2HA GLY 103 11.454 5.412 6.676 820 HA3 GLY 103 3HA GLY 103 12.185 5.869 5.145 821 H SER 104 H SER 104 12.921 8.418 5.507 822 HA SER 104 HA SER 104 14.927 8.300 7.675 823 HB2 SER 104 2HB SER 104 14.932 9.952 5.105 824 HB3 SER 104 3HB SER 104 16.227 9.887 6.302 825 HG SER 104 HG SER 104 15.378 7.456 5.239 826 H LEU 105 H LEU 105 13.183 8.913 9.145 827 HA LEU 105 HA LEU 105 12.072 11.575 9.058 828 HB2 LEU 105 2HB LEU 105 12.133 9.434 11.213 829 HB3 LEU 105 3HB LEU 105 11.369 10.994 11.461 830 HG LEU 105 HG LEU 105 10.522 8.961 9.350 831 HD11 LEU 105 1HD1 LEU 105 9.153 9.659 11.970 832 HD12 LEU 105 2HD1 LEU 105 10.023 8.164 11.623 833 HD13 LEU 105 3HD1 LEU 105 8.551 8.546 10.736 834 HD21 LEU 105 3HD2 LEU 105 9.213 11.581 10.166 835 HD22 LEU 105 1HD2 LEU 105 8.554 10.405 9.024 836 HD23 LEU 105 2HD2 LEU 105 10.046 11.258 8.642 837 H GLU 106 H GLU 106 14.234 12.478 8.646 838 HA GLU 106 HA GLU 106 16.015 12.924 10.887 839 HB2 GLU 106 2HB GLU 106 16.502 12.982 8.236 840 HB3 GLU 106 3HB GLU 106 16.048 14.667 8.408 841 HG2 GLU 106 2HG GLU 106 18.320 13.263 9.845 842 HG3 GLU 106 3HG GLU 106 18.480 14.369 8.490 843 H HIS 107 H HIS 107 16.049 14.842 12.121 844 HA HIS 107 HA HIS 107 13.305 15.551 12.723 845 HB2 HIS 107 2HB HIS 107 15.861 16.136 14.261 846 HB3 HIS 107 3HB HIS 107 14.216 16.202 14.901 847 HD1 HIS 107 HD1 HIS 107 17.008 14.093 15.075 848 HD2 HIS 107 HD2 HIS 107 12.971 13.367 14.368 849 HE1 HIS 107 HE1 HIS 107 16.662 11.658 15.587 850 HE2 HIS 107 HE2 HIS 107 14.200 11.281 15.260 851 H HIS 108 H HIS 108 15.180 17.057 10.612 852 HA HIS 108 HA HIS 108 14.359 19.796 11.416 853 HB2 HIS 108 2HB HIS 108 16.465 18.898 9.389 854 HB3 HIS 108 3HB HIS 108 16.023 20.571 9.709 855 HD1 HIS 108 HD1 HIS 108 17.850 21.644 11.046 856 HD2 HIS 108 HD2 HIS 108 17.291 17.680 12.173 857 HE1 HIS 108 HE1 HIS 108 19.507 21.219 12.891 858 HE2 HIS 108 HE2 HIS 108 19.200 18.795 13.492 859 H HIS 109 H HIS 109 14.009 21.133 9.180 860 HA HIS 109 HA HIS 109 11.509 20.068 8.179 861 HB2 HIS 109 2HB HIS 109 11.247 22.337 7.128 862 HB3 HIS 109 3HB HIS 109 11.559 22.404 8.858 863 HD1 HIS 109 HD1 HIS 109 12.842 23.588 5.618 864 HD2 HIS 109 HD2 HIS 109 14.234 23.326 9.518 865 HE1 HIS 109 HE1 HIS 109 14.870 25.060 5.715 866 HE2 HIS 109 HE2 HIS 109 15.645 24.940 8.095 867 H HIS 110 H HIS 110 12.629 18.254 7.012 868 HA HIS 110 HA HIS 110 14.178 18.845 4.640 869 HB2 HIS 110 2HB HIS 110 13.196 16.256 5.900 870 HB3 HIS 110 3HB HIS 110 13.980 16.264 4.322 871 HD1 HIS 110 HD1 HIS 110 16.474 16.321 4.284 872 HD2 HIS 110 HD2 HIS 110 14.958 17.194 8.047 873 HE1 HIS 110 HE1 HIS 110 18.467 16.505 5.785 874 HE2 HIS 110 HE2 HIS 110 17.535 17.177 8.006 875 H HIS 111 H HIS 111 13.708 18.221 2.534 876 HA HIS 111 HA HIS 111 10.846 17.993 1.769 877 HB2 HIS 111 2HB HIS 111 13.060 19.515 0.294 878 HB3 HIS 111 3HB HIS 111 11.388 19.367 -0.233 879 HD1 HIS 111 HD1 HIS 111 9.596 20.782 1.098 880 HD2 HIS 111 HD2 HIS 111 13.537 21.502 2.222 881 HE1 HIS 111 HE1 HIS 111 9.538 22.882 2.471 882 HE2 HIS 111 HE2 HIS 111 11.948 23.407 2.934 883 H HIS 112 H HIS 112 11.240 17.513 -0.946 884 HA HIS 112 HA HIS 112 13.200 15.353 -1.247 885 HB2 HIS 112 2HB HIS 112 11.597 13.776 -2.224 886 HB3 HIS 112 3HB HIS 112 11.071 14.204 -0.598 887 HD1 HIS 112 HD1 HIS 112 10.162 14.605 -4.200 888 HD2 HIS 112 HD2 HIS 112 8.635 15.604 -0.473 889 HE1 HIS 112 HE1 HIS 112 7.843 15.441 -4.632 890 HE2 HIS 112 HE2 HIS 112 6.891 15.897 -2.348 Start of MODEL 3 1 H1 MET 1 1H MET 1 4.377 1.833 17.408 2 H2 MET 1 2H MET 1 5.171 3.051 16.548 3 H3 MET 1 3H MET 1 5.527 1.430 16.237 4 HA MET 1 HA MET 1 3.361 1.042 15.374 5 HB2 MET 1 2HB MET 1 1.730 2.883 15.136 6 HB3 MET 1 3HB MET 1 2.139 2.639 16.825 7 HG2 MET 1 2HG MET 1 3.660 4.595 16.720 8 HG3 MET 1 3HG MET 1 3.179 4.856 15.041 9 HE1 MET 1 3HE MET 1 1.370 7.822 16.784 10 HE2 MET 1 1HE MET 1 2.338 7.334 15.395 11 HE3 MET 1 2HE MET 1 3.006 7.208 17.024 12 H GLY 2 H GLY 2 3.399 0.981 13.189 13 HA2 GLY 2 2HA GLY 2 5.425 2.545 11.741 14 HA3 GLY 2 3HA GLY 2 4.638 1.068 11.200 15 H LYS 3 H LYS 3 4.700 2.774 9.296 16 HA LYS 3 HA LYS 3 1.931 3.723 9.060 17 HB2 LYS 3 2HB LYS 3 3.391 5.692 9.654 18 HB3 LYS 3 3HB LYS 3 4.322 5.409 8.182 19 HG2 LYS 3 2HG LYS 3 2.315 5.787 6.819 20 HG3 LYS 3 3HG LYS 3 1.351 6.012 8.280 21 HD2 LYS 3 2HD LYS 3 2.774 8.016 8.835 22 HD3 LYS 3 3HD LYS 3 3.595 7.806 7.281 23 HE2 LYS 3 2HE LYS 3 1.383 8.028 6.139 24 HE3 LYS 3 3HE LYS 3 0.646 8.360 7.706 25 HZ1 LYS 3 3HZ LYS 3 2.728 10.006 6.375 26 HZ2 LYS 3 1HZ LYS 3 2.057 10.317 7.892 27 HZ3 LYS 3 2HZ LYS 3 1.086 10.385 6.511 28 H VAL 4 H VAL 4 1.037 3.334 7.094 29 HA VAL 4 HA VAL 4 2.704 1.989 5.028 30 HB VAL 4 HB VAL 4 -0.272 1.517 5.576 31 HG11 VAL 4 1HG1 VAL 4 -0.015 -0.466 4.152 32 HG12 VAL 4 2HG1 VAL 4 1.686 -0.078 3.885 33 HG13 VAL 4 3HG1 VAL 4 0.428 0.999 3.273 34 HG21 VAL 4 3HG2 VAL 4 1.027 0.745 7.529 35 HG22 VAL 4 1HG2 VAL 4 2.042 -0.245 6.479 36 HG23 VAL 4 2HG2 VAL 4 0.323 -0.614 6.653 37 H LEU 5 H LEU 5 2.355 2.570 2.855 38 HA LEU 5 HA LEU 5 0.374 4.684 2.245 39 HB2 LEU 5 2HB LEU 5 2.711 5.162 1.527 40 HB3 LEU 5 3HB LEU 5 2.719 3.689 0.569 41 HG LEU 5 HG LEU 5 0.859 4.650 -0.847 42 HD11 LEU 5 1HD1 LEU 5 0.343 7.042 -0.733 43 HD12 LEU 5 2HD1 LEU 5 1.337 7.197 0.720 44 HD13 LEU 5 3HD1 LEU 5 -0.122 6.203 0.747 45 HD21 LEU 5 3HD2 LEU 5 3.377 6.335 -0.755 46 HD22 LEU 5 1HD2 LEU 5 2.255 6.215 -2.114 47 HD23 LEU 5 2HD2 LEU 5 3.178 4.802 -1.607 48 H LEU 6 H LEU 6 -1.463 3.968 1.404 49 HA LEU 6 HA LEU 6 -1.723 1.225 0.400 50 HB2 LEU 6 2HB LEU 6 -3.221 2.129 2.232 51 HB3 LEU 6 3HB LEU 6 -3.868 3.287 1.082 52 HG LEU 6 HG LEU 6 -4.722 1.349 -0.303 53 HD11 LEU 6 1HD1 LEU 6 -3.847 -0.334 2.061 54 HD12 LEU 6 2HD1 LEU 6 -3.187 -0.389 0.423 55 HD13 LEU 6 3HD1 LEU 6 -4.852 -0.883 0.715 56 HD21 LEU 6 3HD2 LEU 6 -5.759 1.450 2.551 57 HD22 LEU 6 1HD2 LEU 6 -6.639 0.845 1.144 58 HD23 LEU 6 2HD2 LEU 6 -6.209 2.551 1.246 59 H VAL 7 H VAL 7 -1.180 1.180 -1.734 60 HA VAL 7 HA VAL 7 -1.750 3.401 -3.541 61 HB VAL 7 HB VAL 7 -0.281 0.767 -4.055 62 HG11 VAL 7 1HG1 VAL 7 0.577 1.841 -6.116 63 HG12 VAL 7 2HG1 VAL 7 -0.443 3.248 -5.811 64 HG13 VAL 7 3HG1 VAL 7 -1.181 1.682 -6.149 65 HG21 VAL 7 3HG2 VAL 7 0.844 3.538 -3.504 66 HG22 VAL 7 1HG2 VAL 7 1.788 2.103 -3.916 67 HG23 VAL 7 2HG2 VAL 7 0.885 2.161 -2.400 68 H ILE 8 H ILE 8 -3.763 3.455 -4.215 69 HA ILE 8 HA ILE 8 -5.181 1.051 -5.195 70 HB ILE 8 HB ILE 8 -6.346 3.759 -4.359 71 HG12 ILE 8 2HG1 ILE 8 -6.384 1.114 -2.835 72 HG13 ILE 8 3HG1 ILE 8 -5.454 2.545 -2.399 73 HG21 ILE 8 1HG2 ILE 8 -7.732 2.634 -6.064 74 HG22 ILE 8 2HG2 ILE 8 -8.560 2.687 -4.509 75 HG23 ILE 8 3HG2 ILE 8 -7.812 1.185 -5.058 76 HD11 ILE 8 3HD1 ILE 8 -7.383 2.399 -1.011 77 HD12 ILE 8 1HD1 ILE 8 -8.453 2.286 -2.408 78 HD13 ILE 8 2HD1 ILE 8 -7.568 3.780 -2.089 79 H SER 9 H SER 9 -5.822 1.020 -7.261 80 HA SER 9 HA SER 9 -6.198 3.451 -8.837 81 HB2 SER 9 2HB SER 9 -4.665 1.083 -10.019 82 HB3 SER 9 3HB SER 9 -4.951 2.656 -10.762 83 HG SER 9 HG SER 9 -3.698 3.389 -8.758 84 H THR 10 H THR 10 -7.875 3.141 -10.368 85 HA THR 10 HA THR 10 -9.703 1.004 -10.054 86 HB THR 10 HB THR 10 -9.416 2.847 -12.471 87 HG1 THR 10 HG1 THR 10 -10.794 4.237 -11.316 88 HG21 THR 10 3HG2 THR 10 -11.834 2.510 -12.780 89 HG22 THR 10 1HG2 THR 10 -11.893 1.437 -11.378 90 HG23 THR 10 2HG2 THR 10 -11.004 0.953 -12.825 91 H ASP 11 H ASP 11 -7.006 1.588 -12.264 92 HA ASP 11 HA ASP 11 -7.384 -0.973 -13.646 93 HB2 ASP 11 2HB ASP 11 -5.404 1.268 -14.234 94 HB3 ASP 11 3HB ASP 11 -5.713 -0.148 -15.237 95 H THR 12 H THR 12 -6.601 -2.570 -12.433 96 HA THR 12 HA THR 12 -4.501 -2.448 -10.546 97 HB THR 12 HB THR 12 -5.658 -4.941 -11.881 98 HG1 THR 12 HG1 THR 12 -7.024 -4.751 -9.831 99 HG21 THR 12 3HG2 THR 12 -4.436 -4.540 -9.121 100 HG22 THR 12 1HG2 THR 12 -3.690 -5.418 -10.458 101 HG23 THR 12 2HG2 THR 12 -5.165 -6.034 -9.710 102 H ASN 13 H ASN 13 -4.488 -2.926 -13.968 103 HA ASN 13 HA ASN 13 -1.976 -4.182 -14.349 104 HB2 ASN 13 2HB ASN 13 -3.555 -2.316 -16.180 105 HB3 ASN 13 3HB ASN 13 -2.099 -3.173 -16.675 106 HD21 ASN 13 1HD2 ASN 13 -3.090 -4.395 -18.263 107 HD22 ASN 13 2HD2 ASN 13 -4.266 -5.617 -17.936 108 H ILE 14 H ILE 14 -2.933 -0.781 -13.888 109 HA ILE 14 HA ILE 14 -0.360 0.374 -14.405 110 HB ILE 14 HB ILE 14 -2.725 1.461 -12.801 111 HG12 ILE 14 2HG1 ILE 14 -3.283 1.085 -15.179 112 HG13 ILE 14 3HG1 ILE 14 -3.242 2.804 -14.822 113 HG21 ILE 14 1HG2 ILE 14 -1.692 3.691 -13.039 114 HG22 ILE 14 2HG2 ILE 14 -0.276 2.958 -13.793 115 HG23 ILE 14 3HG2 ILE 14 -0.665 2.595 -12.112 116 HD11 ILE 14 3HD1 ILE 14 -2.267 2.331 -16.985 117 HD12 ILE 14 1HD1 ILE 14 -1.095 1.233 -16.258 118 HD13 ILE 14 2HD1 ILE 14 -1.031 2.962 -15.898 119 H ILE 15 H ILE 15 -2.131 -0.629 -11.490 120 HA ILE 15 HA ILE 15 -0.302 -0.064 -9.467 121 HB ILE 15 HB ILE 15 -2.275 -2.380 -9.728 122 HG12 ILE 15 2HG1 ILE 15 -2.400 0.222 -8.145 123 HG13 ILE 15 3HG1 ILE 15 -3.301 -0.149 -9.609 124 HG21 ILE 15 1HG2 ILE 15 -2.039 -2.811 -7.301 125 HG22 ILE 15 2HG2 ILE 15 -0.722 -1.640 -7.222 126 HG23 ILE 15 3HG2 ILE 15 -0.529 -3.118 -8.165 127 HD11 ILE 15 3HD1 ILE 15 -3.634 -1.448 -6.912 128 HD12 ILE 15 1HD1 ILE 15 -4.485 -1.934 -8.381 129 HD13 ILE 15 2HD1 ILE 15 -4.737 -0.325 -7.707 130 H SER 16 H SER 16 -0.512 -2.898 -11.611 131 HA SER 16 HA SER 16 1.529 -4.436 -10.387 132 HB2 SER 16 2HB SER 16 -0.287 -5.370 -11.857 133 HB3 SER 16 3HB SER 16 0.508 -4.651 -13.258 134 HG SER 16 HG SER 16 2.429 -5.941 -12.257 135 H SER 17 H SER 17 1.586 -2.127 -13.133 136 HA SER 17 HA SER 17 4.249 -2.464 -13.959 137 HB2 SER 17 2HB SER 17 2.634 0.121 -13.907 138 HB3 SER 17 3HB SER 17 4.046 -0.203 -14.919 139 HG SER 17 HG SER 17 1.425 -1.056 -15.190 140 H VAL 18 H VAL 18 2.890 -0.240 -11.557 141 HA VAL 18 HA VAL 18 5.336 1.004 -10.720 142 HB VAL 18 HB VAL 18 2.649 0.833 -9.274 143 HG11 VAL 18 1HG1 VAL 18 3.325 2.912 -8.128 144 HG12 VAL 18 2HG1 VAL 18 4.895 2.854 -8.928 145 HG13 VAL 18 3HG1 VAL 18 4.449 1.596 -7.774 146 HG21 VAL 18 3HG2 VAL 18 2.493 1.710 -11.610 147 HG22 VAL 18 1HG2 VAL 18 3.616 2.996 -11.174 148 HG23 VAL 18 2HG2 VAL 18 2.038 2.893 -10.391 149 H GLN 19 H GLN 19 3.515 -1.767 -9.717 150 HA GLN 19 HA GLN 19 4.615 -2.356 -7.193 151 HB2 GLN 19 2HB GLN 19 2.501 -3.291 -8.136 152 HB3 GLN 19 3HB GLN 19 3.434 -4.206 -9.312 153 HG2 GLN 19 2HG GLN 19 4.414 -5.536 -7.494 154 HG3 GLN 19 3HG GLN 19 3.492 -4.598 -6.311 155 HE21 GLN 19 1HE2 GLN 19 1.194 -4.790 -6.326 156 HE22 GLN 19 2HE2 GLN 19 0.428 -6.191 -6.970 157 H GLU 20 H GLU 20 5.361 -3.575 -10.473 158 HA GLU 20 HA GLU 20 7.570 -5.190 -9.750 159 HB2 GLU 20 2HB GLU 20 6.891 -3.917 -12.437 160 HB3 GLU 20 3HB GLU 20 8.109 -5.165 -12.199 161 HG2 GLU 20 2HG GLU 20 5.126 -5.465 -11.757 162 HG3 GLU 20 3HG GLU 20 6.052 -6.111 -13.107 163 H ARG 21 H ARG 21 7.299 -1.770 -10.695 164 HA ARG 21 HA ARG 21 10.043 -1.169 -11.026 165 HB2 ARG 21 2HB ARG 21 7.718 0.584 -10.140 166 HB3 ARG 21 3HB ARG 21 9.339 1.220 -10.408 167 HG2 ARG 21 2HG ARG 21 9.227 0.530 -12.771 168 HG3 ARG 21 3HG ARG 21 7.605 -0.118 -12.508 169 HD2 ARG 21 2HD ARG 21 6.787 2.129 -11.930 170 HD3 ARG 21 3HD ARG 21 8.415 2.787 -12.133 171 HE ARG 21 HE ARG 21 7.534 1.468 -14.499 172 HH11 ARG 21 1HH1 ARG 21 7.089 4.462 -12.701 173 HH12 ARG 21 2HH1 ARG 21 6.656 5.380 -14.109 174 HH21 ARG 21 1HH2 ARG 21 6.997 2.684 -16.339 175 HH22 ARG 21 2HH2 ARG 21 6.606 4.367 -16.173 176 H ALA 22 H ALA 22 7.931 -0.952 -8.186 177 HA ALA 22 HA ALA 22 9.926 0.085 -6.414 178 HB1 ALA 22 3HB ALA 22 7.200 -1.118 -5.812 179 HB2 ALA 22 1HB ALA 22 7.533 0.582 -6.145 180 HB3 ALA 22 2HB ALA 22 8.186 -0.173 -4.691 181 H LYS 23 H LYS 23 8.706 -3.153 -7.163 182 HA LYS 23 HA LYS 23 10.066 -4.589 -5.113 183 HB2 LYS 23 2HB LYS 23 8.959 -5.426 -7.824 184 HB3 LYS 23 3HB LYS 23 9.749 -6.575 -6.747 185 HG2 LYS 23 2HG LYS 23 8.051 -6.332 -5.073 186 HG3 LYS 23 3HG LYS 23 7.363 -4.922 -5.880 187 HD2 LYS 23 2HD LYS 23 5.928 -6.861 -6.264 188 HD3 LYS 23 3HD LYS 23 6.665 -6.358 -7.786 189 HE2 LYS 23 2HE LYS 23 8.352 -8.186 -7.515 190 HE3 LYS 23 3HE LYS 23 7.511 -8.699 -6.052 191 HZ1 LYS 23 3HZ LYS 23 5.605 -9.266 -7.296 192 HZ2 LYS 23 1HZ LYS 23 6.920 -9.956 -8.100 193 HZ3 LYS 23 2HZ LYS 23 6.197 -8.553 -8.706 194 H HIS 24 H HIS 24 11.069 -3.444 -8.316 195 HA HIS 24 HA HIS 24 13.600 -4.875 -8.225 196 HB2 HIS 24 2HB HIS 24 12.552 -2.781 -10.178 197 HB3 HIS 24 3HB HIS 24 14.079 -3.641 -10.365 198 HD1 HIS 24 HD1 HIS 24 11.879 -3.813 -12.498 199 HD2 HIS 24 HD2 HIS 24 12.349 -6.584 -9.439 200 HE1 HIS 24 HE1 HIS 24 10.759 -5.908 -13.306 201 HE2 HIS 24 HE2 HIS 24 10.973 -7.532 -11.404 202 H ASN 25 H ASN 25 12.440 -1.673 -7.356 203 HA ASN 25 HA ASN 25 15.127 -0.493 -7.209 204 HB2 ASN 25 2HB ASN 25 12.335 0.650 -6.789 205 HB3 ASN 25 3HB ASN 25 13.775 1.563 -6.356 206 HD21 ASN 25 1HD2 ASN 25 13.373 -0.555 -9.227 207 HD22 ASN 25 2HD2 ASN 25 13.565 0.720 -10.373 208 H TYR 26 H TYR 26 12.799 -1.942 -5.103 209 HA TYR 26 HA TYR 26 14.451 -1.355 -2.704 210 HB2 TYR 26 2HB TYR 26 11.432 -1.852 -2.880 211 HB3 TYR 26 3HB TYR 26 12.334 -1.636 -1.383 212 HD1 TYR 26 HD1 TYR 26 13.550 0.604 -1.008 213 HD2 TYR 26 HD2 TYR 26 10.591 0.060 -4.049 214 HE1 TYR 26 HE1 TYR 26 13.241 3.036 -1.156 215 HE2 TYR 26 HE2 TYR 26 10.291 2.492 -4.195 216 HH TYR 26 HH TYR 26 10.622 4.427 -2.584 217 HA PRO 27 HA PRO 27 15.097 -5.737 -2.325 218 HB2 PRO 27 2HB PRO 27 15.014 -6.294 0.340 219 HB3 PRO 27 3HB PRO 27 16.276 -5.261 -0.363 220 HG2 PRO 27 2HG PRO 27 13.735 -4.426 1.024 221 HG3 PRO 27 3HG PRO 27 15.398 -3.852 1.296 222 HD2 PRO 27 2HD PRO 27 13.676 -2.456 -0.249 223 HD3 PRO 27 3HD PRO 27 15.411 -2.530 -0.632 224 H GLY 28 H GLY 28 12.011 -4.571 -1.685 225 HA2 GLY 28 2HA GLY 28 10.051 -5.664 -2.346 226 HA3 GLY 28 3HA GLY 28 10.824 -7.222 -2.107 227 H ARG 29 H ARG 29 11.714 -5.931 0.641 228 HA ARG 29 HA ARG 29 9.712 -7.078 2.277 229 HB2 ARG 29 2HB ARG 29 12.027 -6.939 3.022 230 HB3 ARG 29 3HB ARG 29 12.012 -5.182 2.922 231 HG2 ARG 29 2HG ARG 29 10.543 -5.007 4.829 232 HG3 ARG 29 3HG ARG 29 10.256 -6.748 4.845 233 HD2 ARG 29 2HD ARG 29 12.952 -5.444 5.358 234 HD3 ARG 29 3HD ARG 29 11.833 -5.973 6.620 235 HE ARG 29 HE ARG 29 12.300 -8.144 4.913 236 HH11 ARG 29 1HH1 ARG 29 14.171 -6.235 7.219 237 HH12 ARG 29 2HH1 ARG 29 15.237 -7.547 7.597 238 HH21 ARG 29 1HH2 ARG 29 13.675 -9.856 5.466 239 HH22 ARG 29 2HH2 ARG 29 14.959 -9.595 6.611 240 H TYR 30 H TYR 30 10.291 -3.808 1.147 241 HA TYR 30 HA TYR 30 8.354 -2.517 2.848 242 HB2 TYR 30 2HB TYR 30 9.927 -1.542 0.424 243 HB3 TYR 30 3HB TYR 30 8.831 -0.513 1.350 244 HD1 TYR 30 HD2 TYR 30 12.048 -2.391 1.497 245 HD2 TYR 30 HD1 TYR 30 9.454 0.336 3.537 246 HE1 TYR 30 HE2 TYR 30 13.823 -1.929 3.137 247 HE2 TYR 30 HE1 TYR 30 11.224 0.796 5.175 248 HH TYR 30 HH TYR 30 14.461 -0.180 4.733 249 H ILE 31 H ILE 31 8.212 -4.195 -0.157 250 HA ILE 31 HA ILE 31 5.660 -2.939 -0.961 251 HB ILE 31 HB ILE 31 7.646 -4.649 -2.530 252 HG12 ILE 31 2HG1 ILE 31 7.653 -2.650 -4.088 253 HG13 ILE 31 3HG1 ILE 31 6.640 -1.792 -2.939 254 HG21 ILE 31 1HG2 ILE 31 5.441 -5.438 -3.206 255 HG22 ILE 31 2HG2 ILE 31 6.106 -4.437 -4.498 256 HG23 ILE 31 3HG2 ILE 31 4.871 -3.782 -3.425 257 HD11 ILE 31 3HD1 ILE 31 9.447 -2.768 -2.421 258 HD12 ILE 31 1HD1 ILE 31 8.445 -1.830 -1.311 259 HD13 ILE 31 2HD1 ILE 31 8.981 -1.116 -2.831 260 H ARG 32 H ARG 32 3.873 -3.948 -0.427 261 HA ARG 32 HA ARG 32 3.747 -6.889 -0.163 262 HB2 ARG 32 2HB ARG 32 3.607 -5.879 2.050 263 HB3 ARG 32 3HB ARG 32 2.462 -4.665 1.488 264 HG2 ARG 32 2HG ARG 32 1.261 -6.270 2.779 265 HG3 ARG 32 3HG ARG 32 0.793 -6.489 1.095 266 HD2 ARG 32 2HD ARG 32 1.060 -8.663 2.044 267 HD3 ARG 32 3HD ARG 32 2.457 -8.399 0.998 268 HE ARG 32 HE ARG 32 3.791 -7.975 2.977 269 HH11 ARG 32 1HH1 ARG 32 0.660 -9.496 3.585 270 HH12 ARG 32 2HH1 ARG 32 1.154 -10.133 5.127 271 HH21 ARG 32 1HH2 ARG 32 4.385 -8.784 5.011 272 HH22 ARG 32 2HH2 ARG 32 3.252 -9.731 5.928 273 H THR 33 H THR 33 1.920 -7.839 -1.108 274 HA THR 33 HA THR 33 0.058 -6.071 -2.589 275 HB THR 33 HB THR 33 -0.369 -8.049 -4.055 276 HG1 THR 33 HG1 THR 33 0.629 -9.488 -2.188 277 HG21 THR 33 3HG2 THR 33 1.367 -6.400 -4.698 278 HG22 THR 33 1HG2 THR 33 1.778 -8.024 -5.253 279 HG23 THR 33 2HG2 THR 33 2.583 -7.346 -3.836 280 H ALA 34 H ALA 34 -1.816 -5.832 -1.595 281 HA ALA 34 HA ALA 34 -2.896 -7.899 0.209 282 HB1 ALA 34 3HB ALA 34 -2.882 -5.629 1.109 283 HB2 ALA 34 1HB ALA 34 -4.540 -6.195 0.897 284 HB3 ALA 34 2HB ALA 34 -3.841 -5.053 -0.255 285 H THR 35 H THR 35 -3.782 -9.426 -1.005 286 HA THR 35 HA THR 35 -5.682 -8.782 -3.165 287 HB THR 35 HB THR 35 -3.985 -10.477 -3.700 288 HG1 THR 35 HG1 THR 35 -6.537 -10.735 -4.066 289 HG21 THR 35 3HG2 THR 35 -3.518 -11.397 -1.472 290 HG22 THR 35 1HG2 THR 35 -3.972 -12.697 -2.577 291 HG23 THR 35 2HG2 THR 35 -5.136 -12.096 -1.393 292 H SER 36 H SER 36 -5.643 -9.468 0.145 293 HA SER 36 HA SER 36 -8.521 -9.796 0.308 294 HB2 SER 36 2HB SER 36 -8.371 -11.858 1.699 295 HB3 SER 36 3HB SER 36 -7.744 -12.144 0.074 296 HG SER 36 HG SER 36 -5.989 -12.766 1.021 297 H SER 37 H SER 37 -9.316 -9.459 2.413 298 HA SER 37 HA SER 37 -7.926 -7.721 4.171 299 HB2 SER 37 2HB SER 37 -10.405 -9.401 4.728 300 HB3 SER 37 3HB SER 37 -9.860 -8.015 5.679 301 HG SER 37 HG SER 37 -10.088 -7.451 3.006 302 H GLN 38 H GLN 38 -7.909 -11.139 3.859 303 HA GLN 38 HA GLN 38 -7.021 -11.921 6.446 304 HB2 GLN 38 2HB GLN 38 -6.800 -13.285 3.724 305 HB3 GLN 38 3HB GLN 38 -6.265 -14.037 5.222 306 HG2 GLN 38 2HG GLN 38 -8.429 -14.922 4.653 307 HG3 GLN 38 3HG GLN 38 -8.604 -13.916 6.084 308 HE21 GLN 38 1HE2 GLN 38 -9.828 -11.993 5.923 309 HE22 GLN 38 2HE2 GLN 38 -10.850 -11.660 4.567 310 H ASP 39 H ASP 39 -5.292 -11.314 3.330 311 HA ASP 39 HA ASP 39 -2.650 -11.534 4.267 312 HB2 ASP 39 2HB ASP 39 -3.194 -11.414 1.850 313 HB3 ASP 39 3HB ASP 39 -3.737 -9.751 2.029 314 H ILE 40 H ILE 40 -4.864 -8.779 4.120 315 HA ILE 40 HA ILE 40 -3.270 -6.694 4.986 316 HB ILE 40 HB ILE 40 -6.234 -7.210 5.295 317 HG12 ILE 40 2HG1 ILE 40 -4.670 -5.293 3.503 318 HG13 ILE 40 3HG1 ILE 40 -5.273 -6.867 3.006 319 HG21 ILE 40 1HG2 ILE 40 -6.578 -4.858 5.932 320 HG22 ILE 40 2HG2 ILE 40 -4.832 -4.622 6.030 321 HG23 ILE 40 3HG2 ILE 40 -5.637 -5.721 7.151 322 HD11 ILE 40 3HD1 ILE 40 -6.675 -5.128 2.160 323 HD12 ILE 40 1HD1 ILE 40 -6.933 -4.481 3.780 324 HD13 ILE 40 2HD1 ILE 40 -7.567 -6.071 3.351 325 H ARG 41 H ARG 41 -5.192 -8.926 7.032 326 HA ARG 41 HA ARG 41 -4.551 -7.970 9.543 327 HB2 ARG 41 2HB ARG 41 -5.148 -10.756 8.530 328 HB3 ARG 41 3HB ARG 41 -4.655 -10.551 10.206 329 HG2 ARG 41 2HG ARG 41 -7.058 -9.232 8.903 330 HG3 ARG 41 3HG ARG 41 -7.097 -10.634 9.977 331 HD2 ARG 41 2HD ARG 41 -6.246 -7.805 10.689 332 HD3 ARG 41 3HD ARG 41 -7.675 -8.666 11.260 333 HE ARG 41 HE ARG 41 -5.701 -10.266 12.128 334 HH11 ARG 41 1HH1 ARG 41 -6.139 -6.783 12.521 335 HH12 ARG 41 2HH1 ARG 41 -5.274 -6.742 14.026 336 HH21 ARG 41 1HH2 ARG 41 -4.561 -10.165 14.086 337 HH22 ARG 41 2HH2 ARG 41 -4.386 -8.647 14.908 338 H ASP 42 H ASP 42 -2.645 -10.201 7.529 339 HA ASP 42 HA ASP 42 -0.520 -10.704 9.321 340 HB2 ASP 42 2HB ASP 42 -1.028 -12.082 7.281 341 HB3 ASP 42 3HB ASP 42 -0.480 -10.757 6.265 342 H ILE 43 H ILE 43 -1.034 -8.125 6.891 343 HA ILE 43 HA ILE 43 1.554 -6.977 6.848 344 HB ILE 43 HB ILE 43 -1.107 -5.487 6.523 345 HG12 ILE 43 2HG1 ILE 43 0.504 -6.853 4.322 346 HG13 ILE 43 3HG1 ILE 43 -0.977 -7.488 5.021 347 HG21 ILE 43 1HG2 ILE 43 0.842 -3.986 6.749 348 HG22 ILE 43 2HG2 ILE 43 0.139 -3.889 5.135 349 HG23 ILE 43 3HG2 ILE 43 1.629 -4.798 5.392 350 HD11 ILE 43 3HD1 ILE 43 -2.179 -5.480 4.212 351 HD12 ILE 43 1HD1 ILE 43 -1.468 -6.451 2.923 352 HD13 ILE 43 2HD1 ILE 43 -0.691 -4.953 3.424 353 H ILE 44 H ILE 44 -1.352 -6.077 8.627 354 HA ILE 44 HA ILE 44 -0.175 -3.868 9.996 355 HB ILE 44 HB ILE 44 -2.907 -5.213 10.270 356 HG12 ILE 44 2HG1 ILE 44 -2.012 -2.698 8.767 357 HG13 ILE 44 3HG1 ILE 44 -2.409 -4.241 8.024 358 HG21 ILE 44 1HG2 ILE 44 -2.030 -2.522 11.381 359 HG22 ILE 44 2HG2 ILE 44 -2.388 -3.961 12.339 360 HG23 ILE 44 3HG2 ILE 44 -3.671 -3.167 11.421 361 HD11 ILE 44 3HD1 ILE 44 -4.187 -2.648 7.731 362 HD12 ILE 44 1HD1 ILE 44 -4.326 -2.426 9.474 363 HD13 ILE 44 2HD1 ILE 44 -4.726 -3.983 8.744 364 H LYS 45 H LYS 45 -0.628 -7.278 10.772 365 HA LYS 45 HA LYS 45 -0.264 -7.359 13.530 366 HB2 LYS 45 2HB LYS 45 0.576 -9.242 11.314 367 HB3 LYS 45 3HB LYS 45 1.157 -9.554 12.945 368 HG2 LYS 45 2HG LYS 45 -1.132 -9.772 13.770 369 HG3 LYS 45 3HG LYS 45 -1.772 -9.343 12.181 370 HD2 LYS 45 2HD LYS 45 -1.852 -11.795 12.528 371 HD3 LYS 45 3HD LYS 45 -0.772 -11.374 11.199 372 HE2 LYS 45 2HE LYS 45 1.178 -11.670 12.679 373 HE3 LYS 45 3HE LYS 45 0.109 -12.059 14.026 374 HZ1 LYS 45 3HZ LYS 45 1.020 -14.054 13.033 375 HZ2 LYS 45 1HZ LYS 45 0.390 -13.641 11.520 376 HZ3 LYS 45 2HZ LYS 45 -0.652 -14.007 12.799 377 H SER 46 H SER 46 2.263 -7.172 10.995 378 HA SER 46 HA SER 46 4.422 -6.951 12.904 379 HB2 SER 46 2HB SER 46 5.870 -6.637 10.924 380 HB3 SER 46 3HB SER 46 4.794 -8.010 10.689 381 HG SER 46 HG SER 46 3.706 -5.694 9.757 382 H MET 47 H MET 47 2.369 -4.727 11.055 383 HA MET 47 HA MET 47 4.160 -2.469 11.193 384 HB2 MET 47 2HB MET 47 1.214 -2.641 10.439 385 HB3 MET 47 3HB MET 47 2.155 -1.154 10.360 386 HG2 MET 47 2HG MET 47 2.656 -3.673 8.760 387 HG3 MET 47 3HG MET 47 1.993 -2.155 8.158 388 HE1 MET 47 3HE MET 47 3.469 0.129 7.979 389 HE2 MET 47 1HE MET 47 5.161 0.217 8.467 390 HE3 MET 47 2HE MET 47 3.906 0.002 9.685 391 H LYS 48 H LYS 48 1.931 -3.816 13.426 392 HA LYS 48 HA LYS 48 1.235 -1.678 15.078 393 HB2 LYS 48 2HB LYS 48 1.934 -4.563 15.772 394 HB3 LYS 48 3HB LYS 48 1.248 -3.435 16.940 395 HG2 LYS 48 2HG LYS 48 -0.826 -3.302 15.742 396 HG3 LYS 48 3HG LYS 48 -0.138 -4.109 14.333 397 HD2 LYS 48 2HD LYS 48 -1.620 -5.621 15.587 398 HD3 LYS 48 3HD LYS 48 0.042 -6.214 15.580 399 HE2 LYS 48 2HE LYS 48 -1.001 -6.495 17.785 400 HE3 LYS 48 3HE LYS 48 0.350 -5.364 17.882 401 HZ1 LYS 48 3HZ LYS 48 -2.531 -4.646 17.742 402 HZ2 LYS 48 1HZ LYS 48 -1.257 -3.538 17.806 403 HZ3 LYS 48 2HZ LYS 48 -1.555 -4.561 19.120 404 H ASP 49 H ASP 49 4.261 -3.532 14.936 405 HA ASP 49 HA ASP 49 5.484 -1.901 17.067 406 HB2 ASP 49 2HB ASP 49 5.680 -4.418 17.119 407 HB3 ASP 49 3HB ASP 49 6.628 -4.346 15.638 408 H ASN 50 H ASN 50 5.795 -2.640 13.605 409 HA ASN 50 HA ASN 50 8.400 -2.462 13.084 410 HB2 ASN 50 2HB ASN 50 6.087 -1.640 11.340 411 HB3 ASN 50 3HB ASN 50 7.724 -1.488 10.723 412 HD21 ASN 50 1HD2 ASN 50 5.776 -3.152 9.578 413 HD22 ASN 50 2HD2 ASN 50 6.286 -4.789 9.750 414 H GLY 51 H GLY 51 6.415 0.498 13.184 415 HA2 GLY 51 2HA GLY 51 6.986 2.703 13.453 416 HA3 GLY 51 3HA GLY 51 8.495 2.139 14.150 417 H LYS 52 H LYS 52 7.452 1.431 10.882 418 HA LYS 52 HA LYS 52 9.438 3.257 9.698 419 HB2 LYS 52 2HB LYS 52 10.452 1.460 8.397 420 HB3 LYS 52 3HB LYS 52 10.529 1.026 10.098 421 HG2 LYS 52 2HG LYS 52 8.534 -0.465 9.756 422 HG3 LYS 52 3HG LYS 52 8.595 -0.074 8.037 423 HD2 LYS 52 2HD LYS 52 9.683 -2.241 8.472 424 HD3 LYS 52 3HD LYS 52 10.860 -1.068 7.877 425 HE2 LYS 52 2HE LYS 52 11.641 -0.690 10.203 426 HE3 LYS 52 3HE LYS 52 10.457 -1.860 10.788 427 HZ1 LYS 52 3HZ LYS 52 12.632 -2.858 10.590 428 HZ2 LYS 52 1HZ LYS 52 12.721 -2.451 8.954 429 HZ3 LYS 52 2HZ LYS 52 11.574 -3.573 9.486 430 HA PRO 53 HA PRO 53 6.268 3.539 6.496 431 HB2 PRO 53 2HB PRO 53 7.648 4.175 4.258 432 HB3 PRO 53 3HB PRO 53 7.598 5.286 5.639 433 HG2 PRO 53 2HG PRO 53 9.765 3.345 4.880 434 HG3 PRO 53 3HG PRO 53 9.908 5.055 5.354 435 HD2 PRO 53 2HD PRO 53 10.313 3.004 7.120 436 HD3 PRO 53 3HD PRO 53 9.687 4.590 7.619 437 H LEU 54 H LEU 54 5.165 2.189 5.145 438 HA LEU 54 HA LEU 54 6.535 -0.029 3.764 439 HB2 LEU 54 2HB LEU 54 5.251 -0.620 6.037 440 HB3 LEU 54 3HB LEU 54 3.811 -0.442 5.054 441 HG LEU 54 HG LEU 54 4.844 -2.218 3.482 442 HD11 LEU 54 1HD1 LEU 54 6.508 -3.723 4.431 443 HD12 LEU 54 2HD1 LEU 54 6.656 -2.696 5.859 444 HD13 LEU 54 3HD1 LEU 54 7.148 -2.087 4.277 445 HD21 LEU 54 3HD2 LEU 54 2.961 -2.718 4.986 446 HD22 LEU 54 1HD2 LEU 54 4.094 -3.119 6.280 447 HD23 LEU 54 2HD2 LEU 54 4.043 -4.096 4.810 448 H VAL 55 H VAL 55 4.771 -1.022 2.181 449 HA VAL 55 HA VAL 55 2.991 0.981 1.008 450 HB VAL 55 HB VAL 55 5.135 -0.386 -0.715 451 HG11 VAL 55 1HG1 VAL 55 4.233 0.983 -2.564 452 HG12 VAL 55 2HG1 VAL 55 2.989 1.628 -1.490 453 HG13 VAL 55 3HG1 VAL 55 2.997 -0.089 -1.901 454 HG21 VAL 55 3HG2 VAL 55 4.915 2.566 -0.017 455 HG22 VAL 55 1HG2 VAL 55 6.092 1.837 -1.113 456 HG23 VAL 55 2HG2 VAL 55 6.131 1.449 0.605 457 H VAL 56 H VAL 56 1.196 -0.018 0.374 458 HA VAL 56 HA VAL 56 1.161 -2.935 -0.094 459 HB VAL 56 HB VAL 56 -0.872 -1.242 1.443 460 HG11 VAL 56 1HG1 VAL 56 -2.259 -3.291 1.637 461 HG12 VAL 56 2HG1 VAL 56 -1.180 -4.120 0.512 462 HG13 VAL 56 3HG1 VAL 56 -2.129 -2.736 -0.034 463 HG21 VAL 56 3HG2 VAL 56 -0.437 -2.828 3.282 464 HG22 VAL 56 1HG2 VAL 56 1.058 -2.042 2.767 465 HG23 VAL 56 2HG2 VAL 56 0.719 -3.702 2.274 466 H PHE 57 H PHE 57 0.951 -3.098 -2.190 467 HA PHE 57 HA PHE 57 -0.663 -1.355 -3.863 468 HB2 PHE 57 2HB PHE 57 0.997 -3.857 -4.434 469 HB3 PHE 57 3HB PHE 57 0.086 -3.002 -5.668 470 HD1 PHE 57 HD1 PHE 57 0.763 -0.713 -6.371 471 HD2 PHE 57 HD2 PHE 57 3.141 -2.977 -3.631 472 HE1 PHE 57 HE1 PHE 57 2.656 0.802 -6.754 473 HE2 PHE 57 HE2 PHE 57 5.033 -1.447 -4.025 474 HZ PHE 57 HZ PHE 57 4.790 0.447 -5.579 475 H VAL 58 H VAL 58 -2.789 -1.687 -4.033 476 HA VAL 58 HA VAL 58 -4.089 -4.067 -3.005 477 HB VAL 58 HB VAL 58 -5.319 -1.646 -4.421 478 HG11 VAL 58 1HG1 VAL 58 -7.448 -2.313 -3.345 479 HG12 VAL 58 2HG1 VAL 58 -6.668 -3.756 -2.692 480 HG13 VAL 58 3HG1 VAL 58 -6.849 -3.565 -4.437 481 HG21 VAL 58 3HG2 VAL 58 -5.853 -0.771 -2.172 482 HG22 VAL 58 1HG2 VAL 58 -4.109 -0.941 -2.401 483 HG23 VAL 58 2HG2 VAL 58 -4.992 -2.126 -1.435 484 H ASN 59 H ASN 59 -3.257 -5.664 -4.403 485 HA ASN 59 HA ASN 59 -4.121 -5.580 -7.238 486 HB2 ASN 59 2HB ASN 59 -1.609 -5.567 -6.775 487 HB3 ASN 59 3HB ASN 59 -1.787 -7.155 -6.048 488 HD21 ASN 59 1HD2 ASN 59 -0.270 -6.211 -8.454 489 HD22 ASN 59 2HD2 ASN 59 -0.773 -7.253 -9.734 490 H GLY 60 H GLY 60 -5.852 -6.806 -7.523 491 HA2 GLY 60 2HA GLY 60 -7.152 -8.719 -7.625 492 HA3 GLY 60 3HA GLY 60 -6.021 -9.545 -6.560 493 H ALA 61 H ALA 61 -7.402 -6.427 -5.719 494 HA ALA 61 HA ALA 61 -9.381 -7.604 -3.862 495 HB1 ALA 61 3HB ALA 61 -7.207 -5.642 -3.026 496 HB2 ALA 61 1HB ALA 61 -7.334 -7.329 -2.533 497 HB3 ALA 61 2HB ALA 61 -8.553 -6.166 -2.009 498 H SER 62 H SER 62 -10.404 -5.410 -2.655 499 HA SER 62 HA SER 62 -11.033 -3.403 -4.697 500 HB2 SER 62 2HB SER 62 -12.515 -5.387 -5.179 501 HB3 SER 62 3HB SER 62 -13.198 -5.236 -3.560 502 HG SER 62 HG SER 62 -13.332 -3.345 -5.678 503 H GLN 63 H GLN 63 -13.200 -2.193 -3.639 504 HA GLN 63 HA GLN 63 -12.214 -0.451 -1.746 505 HB2 GLN 63 2HB GLN 63 -14.061 0.093 -3.289 506 HB3 GLN 63 3HB GLN 63 -15.120 -1.040 -2.460 507 HG2 GLN 63 2HG GLN 63 -15.660 1.267 -1.840 508 HG3 GLN 63 3HG GLN 63 -15.069 0.379 -0.436 509 HE21 GLN 63 1HE2 GLN 63 -13.112 0.999 0.502 510 HE22 GLN 63 2HE2 GLN 63 -12.286 2.452 0.076 511 H ASN 64 H ASN 64 -14.198 -3.362 -1.199 512 HA ASN 64 HA ASN 64 -14.836 -3.080 1.496 513 HB2 ASN 64 2HB ASN 64 -15.714 -4.959 0.165 514 HB3 ASN 64 3HB ASN 64 -14.098 -5.637 -0.002 515 HD21 ASN 64 1HD2 ASN 64 -15.608 -4.310 2.962 516 HD22 ASN 64 2HD2 ASN 64 -15.558 -5.794 3.840 517 H ASP 65 H ASP 65 -11.918 -4.489 0.016 518 HA ASP 65 HA ASP 65 -10.656 -5.274 2.459 519 HB2 ASP 65 2HB ASP 65 -9.403 -4.823 -0.287 520 HB3 ASP 65 3HB ASP 65 -8.667 -5.717 1.044 521 H VAL 66 H VAL 66 -10.488 -2.435 0.390 522 HA VAL 66 HA VAL 66 -8.377 -1.003 1.580 523 HB VAL 66 HB VAL 66 -10.921 -0.046 0.185 524 HG11 VAL 66 1HG1 VAL 66 -8.508 1.657 0.906 525 HG12 VAL 66 2HG1 VAL 66 -10.124 1.805 1.593 526 HG13 VAL 66 3HG1 VAL 66 -9.858 2.163 -0.113 527 HG21 VAL 66 3HG2 VAL 66 -9.395 -1.384 -1.210 528 HG22 VAL 66 1HG2 VAL 66 -8.061 -0.297 -0.819 529 HG23 VAL 66 2HG2 VAL 66 -9.435 0.292 -1.760 530 H ASN 67 H ASN 67 -11.849 -1.098 2.361 531 HA ASN 67 HA ASN 67 -11.791 0.806 4.489 532 HB2 ASN 67 2HB ASN 67 -13.858 -1.346 3.838 533 HB3 ASN 67 3HB ASN 67 -14.097 -0.045 5.007 534 HD21 ASN 67 1HD2 ASN 67 -15.584 -0.666 2.577 535 HD22 ASN 67 2HD2 ASN 67 -15.518 0.752 1.594 536 H GLU 68 H GLU 68 -11.551 -2.735 4.343 537 HA GLU 68 HA GLU 68 -11.720 -3.189 7.161 538 HB2 GLU 68 2HB GLU 68 -10.531 -5.016 5.029 539 HB3 GLU 68 3HB GLU 68 -10.982 -5.490 6.664 540 HG2 GLU 68 2HG GLU 68 -12.804 -4.694 4.394 541 HG3 GLU 68 3HG GLU 68 -12.702 -6.253 5.195 542 H PHE 69 H PHE 69 -9.091 -2.654 4.899 543 HA PHE 69 HA PHE 69 -6.857 -3.028 6.542 544 HB2 PHE 69 2HB PHE 69 -6.584 -2.693 4.139 545 HB3 PHE 69 3HB PHE 69 -7.334 -1.108 4.217 546 HD1 PHE 69 HD1 PHE 69 -4.268 -3.033 5.129 547 HD2 PHE 69 HD2 PHE 69 -6.021 0.856 4.715 548 HE1 PHE 69 HE1 PHE 69 -2.053 -1.990 5.392 549 HE2 PHE 69 HE2 PHE 69 -3.804 1.878 4.984 550 HZ PHE 69 HZ PHE 69 -1.830 0.460 5.325 551 H GLN 70 H GLN 70 -8.744 -0.098 5.860 552 HA GLN 70 HA GLN 70 -7.547 1.645 7.668 553 HB2 GLN 70 2HB GLN 70 -10.422 1.623 6.666 554 HB3 GLN 70 3HB GLN 70 -9.644 2.992 7.463 555 HG2 GLN 70 2HG GLN 70 -7.994 3.128 5.629 556 HG3 GLN 70 3HG GLN 70 -8.755 1.753 4.840 557 HE21 GLN 70 1HE2 GLN 70 -9.217 2.937 2.968 558 HE22 GLN 70 2HE2 GLN 70 -10.411 4.183 2.925 559 H ASN 71 H ASN 71 -10.234 -0.647 8.234 560 HA ASN 71 HA ASN 71 -11.028 0.202 10.805 561 HB2 ASN 71 2HB ASN 71 -11.149 -2.636 9.662 562 HB3 ASN 71 3HB ASN 71 -12.006 -2.096 11.104 563 HD21 ASN 71 1HD2 ASN 71 -13.012 -3.220 8.601 564 HD22 ASN 71 2HD2 ASN 71 -14.129 -2.065 7.976 565 H GLU 72 H GLU 72 -9.029 -2.648 9.994 566 HA GLU 72 HA GLU 72 -8.023 -3.262 12.455 567 HB2 GLU 72 2HB GLU 72 -6.507 -3.492 9.821 568 HB3 GLU 72 3HB GLU 72 -6.143 -4.378 11.297 569 HG2 GLU 72 2HG GLU 72 -8.556 -4.674 9.505 570 HG3 GLU 72 3HG GLU 72 -7.291 -5.863 9.813 571 H ALA 73 H ALA 73 -6.461 -1.071 10.068 572 HA ALA 73 HA ALA 73 -4.099 -0.651 11.515 573 HB1 ALA 73 3HB ALA 73 -3.673 1.189 9.963 574 HB2 ALA 73 1HB ALA 73 -5.370 1.175 9.452 575 HB3 ALA 73 2HB ALA 73 -4.328 -0.206 9.107 576 H LYS 74 H LYS 74 -7.009 1.472 11.317 577 HA LYS 74 HA LYS 74 -6.069 3.452 13.064 578 HB2 LYS 74 2HB LYS 74 -8.281 4.354 13.179 579 HB3 LYS 74 3HB LYS 74 -8.094 3.695 11.560 580 HG2 LYS 74 2HG LYS 74 -9.422 1.705 12.219 581 HG3 LYS 74 3HG LYS 74 -9.596 2.369 13.844 582 HD2 LYS 74 2HD LYS 74 -11.637 2.804 12.609 583 HD3 LYS 74 3HD LYS 74 -10.811 4.337 12.878 584 HE2 LYS 74 2HE LYS 74 -9.976 4.291 10.556 585 HE3 LYS 74 3HE LYS 74 -10.770 2.737 10.294 586 HZ1 LYS 74 3HZ LYS 74 -12.087 5.347 10.831 587 HZ2 LYS 74 1HZ LYS 74 -12.908 3.867 10.807 588 HZ3 LYS 74 2HZ LYS 74 -12.153 4.436 9.408 589 H LYS 75 H LYS 75 -7.743 0.352 13.852 590 HA LYS 75 HA LYS 75 -8.022 1.114 16.672 591 HB2 LYS 75 2HB LYS 75 -9.295 -0.879 16.973 592 HB3 LYS 75 3HB LYS 75 -9.767 -0.239 15.404 593 HG2 LYS 75 2HG LYS 75 -8.280 -1.903 14.304 594 HG3 LYS 75 3HG LYS 75 -7.876 -2.561 15.894 595 HD2 LYS 75 2HD LYS 75 -10.341 -3.043 16.226 596 HD3 LYS 75 3HD LYS 75 -10.609 -2.570 14.544 597 HE2 LYS 75 2HE LYS 75 -10.434 -4.991 14.697 598 HE3 LYS 75 3HE LYS 75 -9.024 -4.366 13.838 599 HZ1 LYS 75 3HZ LYS 75 -7.754 -4.546 15.888 600 HZ2 LYS 75 1HZ LYS 75 -8.400 -6.043 15.449 601 HZ3 LYS 75 2HZ LYS 75 -9.104 -5.150 16.703 602 H GLU 76 H GLU 76 -5.645 -0.499 14.749 603 HA GLU 76 HA GLU 76 -4.298 -1.727 17.056 604 HB2 GLU 76 2HB GLU 76 -3.441 -1.635 14.131 605 HB3 GLU 76 3HB GLU 76 -2.630 -2.530 15.407 606 HG2 GLU 76 2HG GLU 76 -5.383 -3.076 14.282 607 HG3 GLU 76 3HG GLU 76 -3.932 -4.032 14.021 608 H GLY 77 H GLY 77 -4.483 1.320 15.741 609 HA2 GLY 77 2HA GLY 77 -3.361 3.259 16.254 610 HA3 GLY 77 3HA GLY 77 -2.255 2.327 17.249 611 H VAL 78 H VAL 78 -2.679 1.386 13.954 612 HA VAL 78 HA VAL 78 0.006 2.278 13.185 613 HB VAL 78 HB VAL 78 -2.009 0.544 11.660 614 HG11 VAL 78 1HG1 VAL 78 -0.116 -0.123 10.223 615 HG12 VAL 78 2HG1 VAL 78 0.946 0.994 11.083 616 HG13 VAL 78 3HG1 VAL 78 -0.402 1.617 10.130 617 HG21 VAL 78 3HG2 VAL 78 -0.658 -1.393 12.348 618 HG22 VAL 78 1HG2 VAL 78 -1.290 -0.536 13.757 619 HG23 VAL 78 2HG2 VAL 78 0.402 -0.340 13.289 620 H SER 79 H SER 79 0.353 3.988 11.814 621 HA SER 79 HA SER 79 -1.873 5.620 10.880 622 HB2 SER 79 2HB SER 79 1.132 5.988 10.507 623 HB3 SER 79 3HB SER 79 -0.106 7.189 10.131 624 HG SER 79 HG SER 79 -0.637 6.684 12.539 625 H TYR 80 H TYR 80 -2.145 6.212 8.613 626 HA TYR 80 HA TYR 80 -0.802 4.765 6.509 627 HB2 TYR 80 2HB TYR 80 -2.862 3.641 5.627 628 HB3 TYR 80 3HB TYR 80 -2.355 2.997 7.182 629 HD1 TYR 80 HD1 TYR 80 -3.687 3.531 9.256 630 HD2 TYR 80 HD2 TYR 80 -5.054 4.722 5.381 631 HE1 TYR 80 HE1 TYR 80 -5.941 3.890 10.161 632 HE2 TYR 80 HE2 TYR 80 -7.303 5.078 6.295 633 HH TYR 80 HH TYR 80 -7.959 5.166 9.624 634 H ASP 81 H ASP 81 -1.055 5.720 4.536 635 HA ASP 81 HA ASP 81 -2.985 7.958 4.222 636 HB2 ASP 81 2HB ASP 81 -0.200 7.627 3.021 637 HB3 ASP 81 3HB ASP 81 -1.360 8.809 2.422 638 H VAL 82 H VAL 82 -4.507 7.520 2.756 639 HA VAL 82 HA VAL 82 -4.217 5.287 0.893 640 HB VAL 82 HB VAL 82 -6.589 7.179 1.318 641 HG11 VAL 82 1HG1 VAL 82 -6.448 4.592 -0.277 642 HG12 VAL 82 2HG1 VAL 82 -6.575 6.215 -0.955 643 HG13 VAL 82 3HG1 VAL 82 -7.900 5.554 0.000 644 HG21 VAL 82 3HG2 VAL 82 -7.655 5.299 2.529 645 HG22 VAL 82 1HG2 VAL 82 -6.154 5.790 3.321 646 HG23 VAL 82 2HG2 VAL 82 -6.193 4.330 2.330 647 H LEU 83 H LEU 83 -3.856 5.508 -1.245 648 HA LEU 83 HA LEU 83 -3.687 8.190 -2.499 649 HB2 LEU 83 2HB LEU 83 -1.433 7.320 -2.019 650 HB3 LEU 83 3HB LEU 83 -1.834 5.776 -2.750 651 HG LEU 83 HG LEU 83 -2.038 6.952 -4.980 652 HD11 LEU 83 1HD1 LEU 83 -1.073 9.181 -5.261 653 HD12 LEU 83 2HD1 LEU 83 -0.879 9.332 -3.512 654 HD13 LEU 83 3HD1 LEU 83 -2.495 9.216 -4.217 655 HD21 LEU 83 3HD2 LEU 83 0.664 7.130 -3.605 656 HD22 LEU 83 1HD2 LEU 83 0.393 7.138 -5.351 657 HD23 LEU 83 2HD2 LEU 83 -0.017 5.710 -4.404 658 H LYS 84 H LYS 84 -5.046 8.307 -4.252 659 HA LYS 84 HA LYS 84 -5.670 5.836 -5.777 660 HB2 LYS 84 2HB LYS 84 -7.572 8.185 -5.356 661 HB3 LYS 84 3HB LYS 84 -7.902 6.720 -6.272 662 HG2 LYS 84 2HG LYS 84 -7.567 5.455 -4.045 663 HG3 LYS 84 3HG LYS 84 -7.656 7.044 -3.276 664 HD2 LYS 84 2HD LYS 84 -9.906 7.372 -4.403 665 HD3 LYS 84 3HD LYS 84 -9.810 5.697 -4.957 666 HE2 LYS 84 2HE LYS 84 -11.169 5.732 -2.980 667 HE3 LYS 84 3HE LYS 84 -9.623 5.006 -2.526 668 HZ1 LYS 84 3HZ LYS 84 -10.424 6.642 -0.911 669 HZ2 LYS 84 1HZ LYS 84 -10.355 7.851 -2.088 670 HZ3 LYS 84 2HZ LYS 84 -8.935 7.090 -1.573 671 H SER 85 H SER 85 -4.468 6.017 -7.534 672 HA SER 85 HA SER 85 -4.880 8.210 -9.418 673 HB2 SER 85 2HB SER 85 -2.061 7.510 -8.462 674 HB3 SER 85 3HB SER 85 -2.455 8.654 -9.742 675 HG SER 85 HG SER 85 -2.663 10.097 -8.251 676 H THR 86 H THR 86 -4.801 7.440 -11.516 677 HA THR 86 HA THR 86 -3.724 4.723 -12.030 678 HB THR 86 HB THR 86 -5.224 4.865 -14.158 679 HG1 THR 86 HG1 THR 86 -5.724 7.097 -13.995 680 HG21 THR 86 3HG2 THR 86 -6.645 4.714 -11.478 681 HG22 THR 86 1HG2 THR 86 -5.808 3.377 -12.274 682 HG23 THR 86 2HG2 THR 86 -7.251 4.080 -13.009 683 H ASP 87 H ASP 87 -1.607 5.432 -12.335 684 HA ASP 87 HA ASP 87 -0.839 6.425 -14.851 685 HB2 ASP 87 2HB ASP 87 -1.574 8.619 -13.805 686 HB3 ASP 87 3HB ASP 87 -0.350 8.396 -12.558 687 HA PRO 88 HA PRO 88 2.306 3.699 -13.228 688 HB2 PRO 88 2HB PRO 88 4.157 3.863 -15.290 689 HB3 PRO 88 3HB PRO 88 2.648 2.935 -15.383 690 HG2 PRO 88 2HG PRO 88 3.215 5.695 -16.418 691 HG3 PRO 88 3HG PRO 88 2.370 4.349 -17.214 692 HD2 PRO 88 2HD PRO 88 0.997 6.361 -16.072 693 HD3 PRO 88 3HD PRO 88 0.398 4.686 -16.004 694 H GLU 89 H GLU 89 3.308 7.015 -14.189 695 HA GLU 89 HA GLU 89 5.895 6.653 -12.792 696 HB2 GLU 89 2HB GLU 89 6.654 8.709 -13.775 697 HB3 GLU 89 3HB GLU 89 5.918 7.743 -15.043 698 HG2 GLU 89 2HG GLU 89 3.890 9.126 -14.941 699 HG3 GLU 89 3HG GLU 89 4.608 10.092 -13.649 700 H GLU 90 H GLU 90 2.780 8.143 -12.402 701 HA GLU 90 HA GLU 90 3.518 10.085 -10.420 702 HB2 GLU 90 2HB GLU 90 1.513 10.309 -11.896 703 HB3 GLU 90 3HB GLU 90 0.767 8.947 -11.063 704 HG2 GLU 90 2HG GLU 90 0.850 10.243 -8.939 705 HG3 GLU 90 3HG GLU 90 1.524 11.612 -9.825 706 H LEU 91 H LEU 91 1.940 6.901 -10.359 707 HA LEU 91 HA LEU 91 1.673 6.668 -7.544 708 HB2 LEU 91 2HB LEU 91 1.969 4.545 -9.677 709 HB3 LEU 91 3HB LEU 91 1.677 4.151 -7.993 710 HG LEU 91 HG LEU 91 -0.227 5.738 -9.764 711 HD11 LEU 91 1HD1 LEU 91 -0.393 2.851 -8.830 712 HD12 LEU 91 2HD1 LEU 91 -0.051 3.395 -10.475 713 HD13 LEU 91 3HD1 LEU 91 -1.623 3.721 -9.753 714 HD21 LEU 91 3HD2 LEU 91 -0.442 6.371 -7.409 715 HD22 LEU 91 1HD2 LEU 91 -0.592 4.674 -6.940 716 HD23 LEU 91 2HD2 LEU 91 -1.842 5.436 -7.927 717 H THR 92 H THR 92 4.371 5.870 -9.747 718 HA THR 92 HA THR 92 6.040 4.548 -7.882 719 HB THR 92 HB THR 92 6.830 6.030 -10.433 720 HG1 THR 92 HG1 THR 92 5.291 4.086 -10.377 721 HG21 THR 92 3HG2 THR 92 8.841 4.581 -10.446 722 HG22 THR 92 1HG2 THR 92 8.368 3.893 -8.894 723 HG23 THR 92 2HG2 THR 92 8.820 5.597 -9.003 724 H GLN 93 H GLN 93 5.857 7.992 -8.874 725 HA GLN 93 HA GLN 93 8.105 8.815 -7.326 726 HB2 GLN 93 2HB GLN 93 7.483 11.114 -7.824 727 HB3 GLN 93 3HB GLN 93 7.330 10.129 -9.273 728 HG2 GLN 93 2HG GLN 93 4.877 10.038 -8.910 729 HG3 GLN 93 3HG GLN 93 5.060 11.105 -7.524 730 HE21 GLN 93 1HE2 GLN 93 5.235 10.882 -11.023 731 HE22 GLN 93 2HE2 GLN 93 5.148 12.583 -11.321 732 H ARG 94 H ARG 94 4.649 8.489 -6.607 733 HA ARG 94 HA ARG 94 4.757 9.892 -4.091 734 HB2 ARG 94 2HB ARG 94 2.650 8.008 -5.218 735 HB3 ARG 94 3HB ARG 94 2.463 8.921 -3.725 736 HG2 ARG 94 2HG ARG 94 2.782 10.089 -6.507 737 HG3 ARG 94 3HG ARG 94 1.288 10.012 -5.576 738 HD2 ARG 94 2HD ARG 94 2.205 11.562 -3.915 739 HD3 ARG 94 3HD ARG 94 3.766 11.567 -4.744 740 HE ARG 94 HE ARG 94 1.432 12.456 -6.269 741 HH11 ARG 94 1HH1 ARG 94 4.306 13.413 -4.450 742 HH12 ARG 94 2HH1 ARG 94 4.317 15.023 -5.106 743 HH21 ARG 94 1HH2 ARG 94 1.467 14.569 -7.081 744 HH22 ARG 94 2HH2 ARG 94 2.715 15.667 -6.587 745 H VAL 95 H VAL 95 4.982 6.478 -5.051 746 HA VAL 95 HA VAL 95 5.029 5.281 -2.486 747 HB VAL 95 HB VAL 95 6.149 4.396 -5.186 748 HG11 VAL 95 1HG1 VAL 95 6.205 2.737 -2.643 749 HG12 VAL 95 2HG1 VAL 95 7.607 3.344 -3.518 750 HG13 VAL 95 3HG1 VAL 95 6.563 2.134 -4.262 751 HG21 VAL 95 3HG2 VAL 95 4.312 2.739 -5.122 752 HG22 VAL 95 1HG2 VAL 95 3.695 4.387 -4.973 753 HG23 VAL 95 2HG2 VAL 95 3.806 3.355 -3.547 754 H ARG 96 H ARG 96 7.624 6.481 -4.597 755 HA ARG 96 HA ARG 96 9.742 5.572 -2.928 756 HB2 ARG 96 2HB ARG 96 11.257 6.560 -4.493 757 HB3 ARG 96 3HB ARG 96 9.922 5.888 -5.420 758 HG2 ARG 96 2HG ARG 96 8.952 8.189 -5.602 759 HG3 ARG 96 3HG ARG 96 10.378 8.817 -4.779 760 HD2 ARG 96 2HD ARG 96 11.790 7.884 -6.643 761 HD3 ARG 96 3HD ARG 96 10.301 7.417 -7.477 762 HE ARG 96 HE ARG 96 10.321 10.186 -6.762 763 HH11 ARG 96 1HH1 ARG 96 11.549 7.964 -9.209 764 HH12 ARG 96 2HH1 ARG 96 11.689 9.202 -10.418 765 HH21 ARG 96 1HH2 ARG 96 10.527 11.786 -8.359 766 HH22 ARG 96 2HH2 ARG 96 11.115 11.354 -9.936 767 H GLU 97 H GLU 97 8.112 8.724 -3.299 768 HA GLU 97 HA GLU 97 9.945 10.129 -1.602 769 HB2 GLU 97 2HB GLU 97 8.410 12.005 -1.676 770 HB3 GLU 97 3HB GLU 97 8.557 11.302 -3.283 771 HG2 GLU 97 2HG GLU 97 6.382 10.135 -2.931 772 HG3 GLU 97 3HG GLU 97 6.238 10.941 -1.372 773 H PHE 98 H PHE 98 6.872 8.383 -1.017 774 HA PHE 98 HA PHE 98 6.448 9.134 1.654 775 HB2 PHE 98 2HB PHE 98 4.780 7.900 0.312 776 HB3 PHE 98 3HB PHE 98 5.827 6.489 0.262 777 HD1 PHE 98 HD1 PHE 98 3.694 8.583 2.471 778 HD2 PHE 98 HD2 PHE 98 5.897 4.924 2.130 779 HE1 PHE 98 HE1 PHE 98 2.659 7.753 4.543 780 HE2 PHE 98 HE2 PHE 98 4.853 4.110 4.204 781 HZ PHE 98 HZ PHE 98 3.239 5.520 5.401 782 H LEU 99 H LEU 99 8.287 6.404 0.282 783 HA LEU 99 HA LEU 99 9.100 5.292 2.769 784 HB2 LEU 99 2HB LEU 99 10.187 4.917 -0.046 785 HB3 LEU 99 3HB LEU 99 10.738 3.977 1.331 786 HG LEU 99 HG LEU 99 7.878 3.984 0.267 787 HD11 LEU 99 1HD1 LEU 99 8.332 1.700 -0.521 788 HD12 LEU 99 2HD1 LEU 99 10.023 1.860 -0.037 789 HD13 LEU 99 3HD1 LEU 99 9.366 2.884 -1.315 790 HD21 LEU 99 3HD2 LEU 99 9.145 2.303 2.451 791 HD22 LEU 99 1HD2 LEU 99 7.532 2.055 1.777 792 HD23 LEU 99 2HD2 LEU 99 7.901 3.538 2.647 793 H LYS 100 H LYS 100 10.419 7.944 0.886 794 HA LYS 100 HA LYS 100 13.024 7.799 2.229 795 HB2 LYS 100 2HB LYS 100 13.853 9.449 0.763 796 HB3 LYS 100 3HB LYS 100 12.821 8.438 -0.237 797 HG2 LYS 100 2HG LYS 100 11.039 10.156 -0.094 798 HG3 LYS 100 3HG LYS 100 12.109 11.177 0.863 799 HD2 LYS 100 2HD LYS 100 12.579 10.283 -2.013 800 HD3 LYS 100 3HD LYS 100 12.073 11.890 -1.498 801 HE2 LYS 100 2HE LYS 100 14.237 12.153 -0.287 802 HE3 LYS 100 3HE LYS 100 14.739 10.568 -0.882 803 HZ1 LYS 100 3HZ LYS 100 15.658 12.286 -2.268 804 HZ2 LYS 100 1HZ LYS 100 14.129 12.958 -2.549 805 HZ3 LYS 100 2HZ LYS 100 14.506 11.427 -3.157 806 H THR 101 H THR 101 9.974 9.576 2.600 807 HA THR 101 HA THR 101 11.264 11.593 4.318 808 HB THR 101 HB THR 101 9.605 12.404 2.638 809 HG1 THR 101 HG1 THR 101 9.265 12.853 5.406 810 HG21 THR 101 3HG2 THR 101 7.955 10.556 2.704 811 HG22 THR 101 1HG2 THR 101 7.190 12.118 3.007 812 HG23 THR 101 2HG2 THR 101 7.508 11.015 4.348 813 H ALA 102 H ALA 102 8.846 8.987 4.531 814 HA ALA 102 HA ALA 102 8.487 9.289 7.401 815 HB1 ALA 102 3HB ALA 102 6.981 7.348 7.192 816 HB2 ALA 102 1HB ALA 102 7.492 7.119 5.515 817 HB3 ALA 102 2HB ALA 102 6.603 8.573 5.979 818 H GLY 103 H GLY 103 10.960 8.095 5.582 819 HA2 GLY 103 2HA GLY 103 11.644 5.650 6.897 820 HA3 GLY 103 3HA GLY 103 12.665 6.608 5.842 821 H SER 104 H SER 104 14.420 6.104 7.224 822 HA SER 104 HA SER 104 14.413 6.918 10.010 823 HB2 SER 104 2HB SER 104 16.676 5.797 8.296 824 HB3 SER 104 3HB SER 104 16.691 5.951 10.054 825 HG SER 104 HG SER 104 15.938 3.876 8.747 826 H LEU 105 H LEU 105 13.882 9.212 9.064 827 HA LEU 105 HA LEU 105 16.297 10.790 8.504 828 HB2 LEU 105 2HB LEU 105 13.389 11.673 8.774 829 HB3 LEU 105 3HB LEU 105 14.727 12.707 8.296 830 HG LEU 105 HG LEU 105 13.498 10.427 6.700 831 HD11 LEU 105 1HD1 LEU 105 12.253 12.515 6.590 832 HD12 LEU 105 2HD1 LEU 105 13.025 12.185 5.042 833 HD13 LEU 105 3HD1 LEU 105 13.711 13.401 6.126 834 HD21 LEU 105 3HD2 LEU 105 15.916 10.290 6.388 835 HD22 LEU 105 1HD2 LEU 105 15.989 12.009 5.986 836 HD23 LEU 105 2HD2 LEU 105 15.138 10.883 4.925 837 H GLU 106 H GLU 106 17.070 12.393 9.930 838 HA GLU 106 HA GLU 106 16.625 12.058 12.736 839 HB2 GLU 106 2HB GLU 106 18.760 12.984 11.500 840 HB3 GLU 106 3HB GLU 106 17.915 14.520 11.474 841 HG2 GLU 106 2HG GLU 106 18.710 12.961 13.955 842 HG3 GLU 106 3HG GLU 106 19.532 14.381 13.326 843 H HIS 107 H HIS 107 14.698 12.581 13.556 844 HA HIS 107 HA HIS 107 12.919 14.473 12.274 845 HB2 HIS 107 2HB HIS 107 12.502 12.783 14.780 846 HB3 HIS 107 3HB HIS 107 11.247 13.672 13.917 847 HD1 HIS 107 HD1 HIS 107 12.553 10.363 14.196 848 HD2 HIS 107 HD2 HIS 107 11.135 12.653 11.028 849 HE1 HIS 107 HE1 HIS 107 12.003 8.726 12.376 850 HE2 HIS 107 HE2 HIS 107 10.974 10.121 10.561 851 H HIS 108 H HIS 108 14.168 16.376 12.595 852 HA HIS 108 HA HIS 108 14.772 17.654 15.003 853 HB2 HIS 108 2HB HIS 108 14.721 19.773 13.720 854 HB3 HIS 108 3HB HIS 108 15.519 18.502 12.799 855 HD1 HIS 108 HD1 HIS 108 12.381 20.567 12.860 856 HD2 HIS 108 HD2 HIS 108 14.226 17.758 10.417 857 HE1 HIS 108 HE1 HIS 108 11.068 20.560 10.730 858 HE2 HIS 108 HE2 HIS 108 12.333 19.025 9.203 859 H HIS 109 H HIS 109 11.706 17.332 13.324 860 HA HIS 109 HA HIS 109 10.398 17.731 15.904 861 HB2 HIS 109 2HB HIS 109 9.998 19.863 14.649 862 HB3 HIS 109 3HB HIS 109 9.292 18.944 13.321 863 HD1 HIS 109 HD1 HIS 109 8.660 19.778 16.964 864 HD2 HIS 109 HD2 HIS 109 6.588 18.328 13.665 865 HE1 HIS 109 HE1 HIS 109 6.268 19.598 17.696 866 HE2 HIS 109 HE2 HIS 109 5.018 18.876 15.640 867 H HIS 110 H HIS 110 9.965 15.603 16.190 868 HA HIS 110 HA HIS 110 8.817 13.897 14.194 869 HB2 HIS 110 2HB HIS 110 8.236 12.376 16.138 870 HB3 HIS 110 3HB HIS 110 9.938 12.798 16.030 871 HD1 HIS 110 HD1 HIS 110 6.899 14.169 17.955 872 HD2 HIS 110 HD2 HIS 110 10.957 13.409 18.467 873 HE1 HIS 110 HE1 HIS 110 7.405 14.737 20.341 874 HE2 HIS 110 HE2 HIS 110 9.824 14.162 20.657 875 H HIS 111 H HIS 111 6.677 13.495 13.756 876 HA HIS 111 HA HIS 111 4.825 15.617 14.218 877 HB2 HIS 111 2HB HIS 111 4.909 14.376 12.075 878 HB3 HIS 111 3HB HIS 111 4.422 12.895 12.894 879 HD1 HIS 111 HD1 HIS 111 3.030 16.402 12.382 880 HD2 HIS 111 HD2 HIS 111 1.739 12.471 12.770 881 HE1 HIS 111 HE1 HIS 111 0.538 16.474 12.088 882 HE2 HIS 111 HE2 HIS 111 -0.214 14.087 12.310 883 H HIS 112 H HIS 112 4.725 15.597 16.506 884 HA HIS 112 HA HIS 112 2.442 14.581 17.683 885 HB2 HIS 112 2HB HIS 112 3.613 12.351 17.670 886 HB3 HIS 112 3HB HIS 112 4.917 13.036 18.634 887 HD1 HIS 112 HD1 HIS 112 4.601 12.964 21.124 888 HD2 HIS 112 HD2 HIS 112 1.045 12.303 19.089 889 HE1 HIS 112 HE1 HIS 112 2.941 12.290 22.877 890 HE2 HIS 112 HE2 HIS 112 0.775 11.977 21.637 Start of MODEL 4 1 H1 MET 1 1H MET 1 2.270 0.738 14.028 2 H2 MET 1 2H MET 1 2.201 0.568 15.704 3 H3 MET 1 3H MET 1 3.689 0.474 14.908 4 HA MET 1 HA MET 1 1.957 2.857 15.060 5 HB2 MET 1 2HB MET 1 4.615 2.285 16.442 6 HB3 MET 1 3HB MET 1 3.696 3.787 16.566 7 HG2 MET 1 2HG MET 1 1.845 2.577 17.623 8 HG3 MET 1 3HG MET 1 2.742 1.066 17.489 9 HE1 MET 1 3HE MET 1 1.447 1.988 20.177 10 HE2 MET 1 1HE MET 1 2.749 1.753 21.338 11 HE3 MET 1 2HE MET 1 2.453 0.538 20.091 12 H GLY 2 H GLY 2 3.754 1.201 12.944 13 HA2 GLY 2 2HA GLY 2 5.270 3.363 11.750 14 HA3 GLY 2 3HA GLY 2 4.969 1.773 11.065 15 H LYS 3 H LYS 3 4.829 3.910 9.395 16 HA LYS 3 HA LYS 3 1.937 4.425 8.982 17 HB2 LYS 3 2HB LYS 3 3.260 6.486 9.431 18 HB3 LYS 3 3HB LYS 3 4.311 6.115 8.068 19 HG2 LYS 3 2HG LYS 3 2.375 6.316 6.528 20 HG3 LYS 3 3HG LYS 3 1.333 6.718 7.892 21 HD2 LYS 3 2HD LYS 3 3.744 8.353 7.009 22 HD3 LYS 3 3HD LYS 3 2.075 8.713 6.571 23 HE2 LYS 3 2HE LYS 3 1.529 9.006 8.975 24 HE3 LYS 3 3HE LYS 3 3.217 8.698 9.383 25 HZ1 LYS 3 3HZ LYS 3 3.853 10.663 8.151 26 HZ2 LYS 3 1HZ LYS 3 2.685 11.072 9.307 27 HZ3 LYS 3 2HZ LYS 3 2.254 10.935 7.680 28 H VAL 4 H VAL 4 1.057 3.801 7.094 29 HA VAL 4 HA VAL 4 2.748 2.499 5.035 30 HB VAL 4 HB VAL 4 -0.220 1.949 5.579 31 HG11 VAL 4 1HG1 VAL 4 1.838 0.416 3.941 32 HG12 VAL 4 2HG1 VAL 4 0.504 1.381 3.303 33 HG13 VAL 4 3HG1 VAL 4 0.170 -0.089 4.219 34 HG21 VAL 4 3HG2 VAL 4 1.078 1.285 7.572 35 HG22 VAL 4 1HG2 VAL 4 2.149 0.308 6.565 36 HG23 VAL 4 2HG2 VAL 4 0.446 -0.129 6.729 37 H LEU 5 H LEU 5 2.392 3.055 2.884 38 HA LEU 5 HA LEU 5 0.421 5.147 2.220 39 HB2 LEU 5 2HB LEU 5 2.791 5.532 1.529 40 HB3 LEU 5 3HB LEU 5 2.765 4.033 0.611 41 HG LEU 5 HG LEU 5 0.967 5.021 -0.861 42 HD11 LEU 5 1HD1 LEU 5 0.022 6.672 0.671 43 HD12 LEU 5 2HD1 LEU 5 0.541 7.436 -0.829 44 HD13 LEU 5 3HD1 LEU 5 1.524 7.603 0.629 45 HD21 LEU 5 3HD2 LEU 5 3.314 5.043 -1.574 46 HD22 LEU 5 1HD2 LEU 5 3.557 6.600 -0.777 47 HD23 LEU 5 2HD2 LEU 5 2.462 6.472 -2.156 48 H LEU 6 H LEU 6 -1.485 4.232 1.715 49 HA LEU 6 HA LEU 6 -1.700 1.508 0.685 50 HB2 LEU 6 2HB LEU 6 -3.166 2.289 2.544 51 HB3 LEU 6 3HB LEU 6 -3.826 3.545 1.509 52 HG LEU 6 HG LEU 6 -4.832 1.777 0.045 53 HD11 LEU 6 1HD1 LEU 6 -4.935 -0.559 0.797 54 HD12 LEU 6 2HD1 LEU 6 -3.825 -0.190 2.117 55 HD13 LEU 6 3HD1 LEU 6 -3.281 -0.059 0.443 56 HD21 LEU 6 3HD2 LEU 6 -6.192 2.805 1.809 57 HD22 LEU 6 1HD2 LEU 6 -5.646 1.590 2.968 58 HD23 LEU 6 2HD2 LEU 6 -6.642 1.116 1.589 59 H VAL 7 H VAL 7 -1.073 1.558 -1.443 60 HA VAL 7 HA VAL 7 -1.888 3.695 -3.263 61 HB VAL 7 HB VAL 7 -0.073 1.275 -3.703 62 HG11 VAL 7 1HG1 VAL 7 0.600 2.367 -5.827 63 HG12 VAL 7 2HG1 VAL 7 -0.628 3.608 -5.574 64 HG13 VAL 7 3HG1 VAL 7 -1.112 1.929 -5.831 65 HG21 VAL 7 3HG2 VAL 7 1.767 2.923 -3.669 66 HG22 VAL 7 1HG2 VAL 7 0.885 2.904 -2.141 67 HG23 VAL 7 2HG2 VAL 7 0.615 4.208 -3.300 68 H ILE 8 H ILE 8 -3.714 3.536 -4.275 69 HA ILE 8 HA ILE 8 -4.915 0.943 -5.063 70 HB ILE 8 HB ILE 8 -6.480 3.429 -4.216 71 HG12 ILE 8 2HG1 ILE 8 -5.916 1.046 -2.403 72 HG13 ILE 8 3HG1 ILE 8 -5.034 2.563 -2.308 73 HG21 ILE 8 1HG2 ILE 8 -7.715 1.787 -5.612 74 HG22 ILE 8 2HG2 ILE 8 -8.389 1.892 -3.985 75 HG23 ILE 8 3HG2 ILE 8 -7.366 0.523 -4.427 76 HD11 ILE 8 3HD1 ILE 8 -7.982 2.201 -1.842 77 HD12 ILE 8 1HD1 ILE 8 -7.097 3.727 -1.762 78 HD13 ILE 8 2HD1 ILE 8 -6.733 2.436 -0.621 79 H SER 9 H SER 9 -5.995 0.994 -7.076 80 HA SER 9 HA SER 9 -6.261 3.453 -8.605 81 HB2 SER 9 2HB SER 9 -3.930 2.685 -9.127 82 HB3 SER 9 3HB SER 9 -4.580 1.140 -9.664 83 HG SER 9 HG SER 9 -4.672 3.643 -10.875 84 H THR 10 H THR 10 -7.686 3.207 -10.371 85 HA THR 10 HA THR 10 -9.747 1.241 -10.110 86 HB THR 10 HB THR 10 -9.339 3.156 -12.449 87 HG1 THR 10 HG1 THR 10 -10.106 4.778 -11.233 88 HG21 THR 10 3HG2 THR 10 -11.241 1.572 -12.719 89 HG22 THR 10 1HG2 THR 10 -11.801 3.240 -12.557 90 HG23 THR 10 2HG2 THR 10 -11.920 2.130 -11.190 91 H ASP 11 H ASP 11 -6.714 0.964 -11.431 92 HA ASP 11 HA ASP 11 -7.437 -1.225 -13.250 93 HB2 ASP 11 2HB ASP 11 -7.093 0.799 -14.645 94 HB3 ASP 11 3HB ASP 11 -5.506 1.036 -13.922 95 H THR 12 H THR 12 -6.579 -2.883 -12.227 96 HA THR 12 HA THR 12 -4.451 -2.992 -10.423 97 HB THR 12 HB THR 12 -5.659 -5.255 -12.087 98 HG1 THR 12 HG1 THR 12 -7.350 -4.929 -10.870 99 HG21 THR 12 3HG2 THR 12 -4.997 -6.750 -10.229 100 HG22 THR 12 1HG2 THR 12 -4.210 -5.402 -9.408 101 HG23 THR 12 2HG2 THR 12 -3.577 -5.988 -10.947 102 H ASN 13 H ASN 13 -4.381 -3.018 -13.896 103 HA ASN 13 HA ASN 13 -1.819 -4.231 -14.285 104 HB2 ASN 13 2HB ASN 13 -3.292 -4.311 -16.151 105 HB3 ASN 13 3HB ASN 13 -3.659 -2.599 -16.069 106 HD21 ASN 13 1HD2 ASN 13 -1.296 -4.982 -17.103 107 HD22 ASN 13 2HD2 ASN 13 -0.418 -3.927 -18.154 108 H ILE 14 H ILE 14 -2.923 -0.854 -13.757 109 HA ILE 14 HA ILE 14 -0.341 0.353 -14.109 110 HB ILE 14 HB ILE 14 -2.692 1.344 -12.414 111 HG12 ILE 14 2HG1 ILE 14 -3.339 1.245 -14.777 112 HG13 ILE 14 3HG1 ILE 14 -3.141 2.923 -14.307 113 HG21 ILE 14 1HG2 ILE 14 -1.609 3.567 -12.488 114 HG22 ILE 14 2HG2 ILE 14 -0.219 2.859 -13.312 115 HG23 ILE 14 3HG2 ILE 14 -0.602 2.374 -11.661 116 HD11 ILE 14 3HD1 ILE 14 -2.280 2.547 -16.528 117 HD12 ILE 14 1HD1 ILE 14 -1.199 1.284 -15.945 118 HD13 ILE 14 2HD1 ILE 14 -0.950 2.961 -15.450 119 H ILE 15 H ILE 15 -2.168 -0.814 -11.302 120 HA ILE 15 HA ILE 15 -0.449 -0.298 -9.182 121 HB ILE 15 HB ILE 15 -2.456 -2.556 -9.610 122 HG12 ILE 15 2HG1 ILE 15 -2.621 0.053 -8.036 123 HG13 ILE 15 3HG1 ILE 15 -3.436 -0.305 -9.551 124 HG21 ILE 15 1HG2 ILE 15 -0.848 -3.356 -7.928 125 HG22 ILE 15 2HG2 ILE 15 -2.421 -3.039 -7.198 126 HG23 ILE 15 3HG2 ILE 15 -1.100 -1.892 -6.976 127 HD11 ILE 15 3HD1 ILE 15 -5.002 -0.414 -7.759 128 HD12 ILE 15 1HD1 ILE 15 -3.985 -1.548 -6.865 129 HD13 ILE 15 2HD1 ILE 15 -4.748 -2.047 -8.378 130 H SER 16 H SER 16 -0.501 -3.082 -11.385 131 HA SER 16 HA SER 16 1.422 -4.671 -10.002 132 HB2 SER 16 2HB SER 16 -0.289 -5.614 -11.540 133 HB3 SER 16 3HB SER 16 0.494 -4.826 -12.907 134 HG SER 16 HG SER 16 1.023 -7.199 -11.878 135 H SER 17 H SER 17 1.608 -2.458 -12.790 136 HA SER 17 HA SER 17 4.281 -2.935 -13.558 137 HB2 SER 17 2HB SER 17 2.625 -0.392 -13.869 138 HB3 SER 17 3HB SER 17 4.104 -0.770 -14.760 139 HG SER 17 HG SER 17 1.954 -2.583 -14.808 140 H VAL 18 H VAL 18 2.868 -0.500 -11.436 141 HA VAL 18 HA VAL 18 5.211 0.931 -10.744 142 HB VAL 18 HB VAL 18 2.551 0.677 -9.256 143 HG11 VAL 18 1HG1 VAL 18 3.134 2.804 -8.146 144 HG12 VAL 18 2HG1 VAL 18 4.716 2.785 -8.922 145 HG13 VAL 18 3HG1 VAL 18 4.298 1.537 -7.749 146 HG21 VAL 18 3HG2 VAL 18 2.318 1.520 -11.572 147 HG22 VAL 18 1HG2 VAL 18 3.477 2.803 -11.223 148 HG23 VAL 18 2HG2 VAL 18 1.922 2.764 -10.388 149 H GLN 19 H GLN 19 3.462 -1.730 -9.224 150 HA GLN 19 HA GLN 19 4.844 -2.055 -6.838 151 HB2 GLN 19 2HB GLN 19 2.825 -3.279 -7.119 152 HB3 GLN 19 3HB GLN 19 3.349 -3.975 -8.646 153 HG2 GLN 19 2HG GLN 19 5.019 -5.340 -7.398 154 HG3 GLN 19 3HG GLN 19 4.371 -4.697 -5.892 155 HE21 GLN 19 1HE2 GLN 19 2.174 -5.416 -8.549 156 HE22 GLN 19 2HE2 GLN 19 1.507 -6.844 -7.843 157 H GLU 20 H GLU 20 5.549 -3.467 -10.047 158 HA GLU 20 HA GLU 20 7.776 -5.020 -9.122 159 HB2 GLU 20 2HB GLU 20 6.911 -4.320 -11.958 160 HB3 GLU 20 3HB GLU 20 8.167 -5.483 -11.554 161 HG2 GLU 20 2HG GLU 20 5.222 -5.693 -10.876 162 HG3 GLU 20 3HG GLU 20 6.108 -6.657 -12.054 163 H ARG 21 H ARG 21 7.444 -1.790 -10.534 164 HA ARG 21 HA ARG 21 10.193 -1.220 -11.016 165 HB2 ARG 21 2HB ARG 21 7.985 0.680 -10.117 166 HB3 ARG 21 3HB ARG 21 9.559 1.187 -10.718 167 HG2 ARG 21 2HG ARG 21 9.047 0.297 -12.927 168 HG3 ARG 21 3HG ARG 21 7.506 -0.337 -12.340 169 HD2 ARG 21 2HD ARG 21 6.791 1.982 -11.790 170 HD3 ARG 21 3HD ARG 21 8.314 2.590 -12.456 171 HE ARG 21 HE ARG 21 6.749 0.988 -14.281 172 HH11 ARG 21 1HH1 ARG 21 7.299 4.241 -13.079 173 HH12 ARG 21 2HH1 ARG 21 6.643 5.006 -14.489 174 HH21 ARG 21 1HH2 ARG 21 5.897 1.989 -16.133 175 HH22 ARG 21 2HH2 ARG 21 5.844 3.720 -16.226 176 H ALA 22 H ALA 22 8.098 -0.749 -8.212 177 HA ALA 22 HA ALA 22 10.020 0.534 -6.542 178 HB1 ALA 22 3HB ALA 22 8.256 0.387 -4.838 179 HB2 ALA 22 1HB ALA 22 7.342 -0.731 -5.861 180 HB3 ALA 22 2HB ALA 22 7.601 0.935 -6.379 181 H LYS 23 H LYS 23 8.898 -2.811 -6.893 182 HA LYS 23 HA LYS 23 10.407 -3.932 -4.739 183 HB2 LYS 23 2HB LYS 23 9.131 -5.110 -7.233 184 HB3 LYS 23 3HB LYS 23 10.105 -6.108 -6.159 185 HG2 LYS 23 2HG LYS 23 8.571 -5.790 -4.323 186 HG3 LYS 23 3HG LYS 23 7.670 -4.561 -5.221 187 HD2 LYS 23 2HD LYS 23 6.484 -6.740 -5.211 188 HD3 LYS 23 3HD LYS 23 6.915 -6.236 -6.844 189 HE2 LYS 23 2HE LYS 23 8.923 -7.777 -6.688 190 HE3 LYS 23 3HE LYS 23 8.274 -8.367 -5.157 191 HZ1 LYS 23 3HZ LYS 23 6.283 -9.082 -6.312 192 HZ2 LYS 23 1HZ LYS 23 7.648 -9.791 -7.010 193 HZ3 LYS 23 2HZ LYS 23 6.878 -8.494 -7.780 194 H HIS 24 H HIS 24 11.219 -3.020 -8.040 195 HA HIS 24 HA HIS 24 13.826 -4.296 -7.982 196 HB2 HIS 24 2HB HIS 24 12.543 -3.969 -10.107 197 HB3 HIS 24 3HB HIS 24 12.700 -2.223 -9.927 198 HD1 HIS 24 HD1 HIS 24 15.082 -5.207 -10.046 199 HD2 HIS 24 HD2 HIS 24 14.814 -1.277 -11.368 200 HE1 HIS 24 HE1 HIS 24 17.165 -4.803 -11.380 201 HE2 HIS 24 HE2 HIS 24 16.973 -2.428 -12.184 202 H ASN 25 H ASN 25 12.450 -1.176 -7.186 203 HA ASN 25 HA ASN 25 14.931 0.296 -6.959 204 HB2 ASN 25 2HB ASN 25 12.060 0.890 -6.145 205 HB3 ASN 25 3HB ASN 25 13.376 1.958 -5.680 206 HD21 ASN 25 1HD2 ASN 25 13.183 0.307 -8.832 207 HD22 ASN 25 2HD2 ASN 25 12.926 1.748 -9.744 208 H TYR 26 H TYR 26 12.923 -1.644 -4.851 209 HA TYR 26 HA TYR 26 14.665 -1.086 -2.515 210 HB2 TYR 26 2HB TYR 26 11.605 -1.330 -2.546 211 HB3 TYR 26 3HB TYR 26 12.589 -1.268 -1.081 212 HD1 TYR 26 HD1 TYR 26 13.873 0.815 -0.528 213 HD2 TYR 26 HD2 TYR 26 11.089 0.733 -3.767 214 HE1 TYR 26 HE1 TYR 26 13.886 3.265 -0.598 215 HE2 TYR 26 HE2 TYR 26 11.097 3.199 -3.831 216 HH TYR 26 HH TYR 26 11.632 5.088 -2.082 217 HA PRO 27 HA PRO 27 14.996 -5.578 -2.244 218 HB2 PRO 27 2HB PRO 27 15.537 -5.911 0.435 219 HB3 PRO 27 3HB PRO 27 16.702 -5.190 -0.696 220 HG2 PRO 27 2HG PRO 27 14.770 -3.788 1.143 221 HG3 PRO 27 3HG PRO 27 16.520 -3.506 0.934 222 HD2 PRO 27 2HD PRO 27 14.738 -1.933 -0.303 223 HD3 PRO 27 3HD PRO 27 16.233 -2.429 -1.131 224 H GLY 28 H GLY 28 12.164 -4.469 -1.961 225 HA2 GLY 28 2HA GLY 28 10.413 -5.889 -2.426 226 HA3 GLY 28 3HA GLY 28 11.197 -7.178 -1.541 227 H ARG 29 H ARG 29 11.523 -6.013 0.953 228 HA ARG 29 HA ARG 29 9.033 -6.865 1.987 229 HB2 ARG 29 2HB ARG 29 11.373 -5.599 3.472 230 HB3 ARG 29 3HB ARG 29 10.070 -6.540 4.198 231 HG2 ARG 29 2HG ARG 29 10.800 -8.546 2.986 232 HG3 ARG 29 3HG ARG 29 12.067 -7.617 2.181 233 HD2 ARG 29 2HD ARG 29 13.086 -7.159 4.423 234 HD3 ARG 29 3HD ARG 29 11.865 -8.211 5.147 235 HE ARG 29 HE ARG 29 12.852 -10.084 4.088 236 HH11 ARG 29 1HH1 ARG 29 14.705 -7.140 3.558 237 HH12 ARG 29 2HH1 ARG 29 16.146 -7.996 3.104 238 HH21 ARG 29 1HH2 ARG 29 14.745 -11.183 3.523 239 HH22 ARG 29 2HH2 ARG 29 16.162 -10.286 3.083 240 H TYR 30 H TYR 30 10.221 -3.675 1.335 241 HA TYR 30 HA TYR 30 8.361 -2.265 3.053 242 HB2 TYR 30 2HB TYR 30 10.190 -1.311 0.809 243 HB3 TYR 30 3HB TYR 30 9.177 -0.232 1.770 244 HD1 TYR 30 HD2 TYR 30 12.058 -2.595 1.947 245 HD2 TYR 30 HD1 TYR 30 9.831 0.430 4.000 246 HE1 TYR 30 HE2 TYR 30 13.799 -2.495 3.680 247 HE2 TYR 30 HE1 TYR 30 11.563 0.535 5.736 248 HH TYR 30 HH TYR 30 14.638 -0.813 5.337 249 H ILE 31 H ILE 31 8.350 -3.518 -0.182 250 HA ILE 31 HA ILE 31 5.737 -2.264 -0.788 251 HB ILE 31 HB ILE 31 7.700 -3.817 -2.549 252 HG12 ILE 31 2HG1 ILE 31 7.596 -1.666 -3.936 253 HG13 ILE 31 3HG1 ILE 31 6.713 -0.931 -2.608 254 HG21 ILE 31 1HG2 ILE 31 4.903 -2.886 -3.297 255 HG22 ILE 31 2HG2 ILE 31 5.468 -4.555 -3.210 256 HG23 ILE 31 3HG2 ILE 31 6.109 -3.472 -4.446 257 HD11 ILE 31 3HD1 ILE 31 9.060 -0.305 -2.617 258 HD12 ILE 31 1HD1 ILE 31 9.531 -1.999 -2.475 259 HD13 ILE 31 2HD1 ILE 31 8.651 -1.211 -1.161 260 H ARG 32 H ARG 32 4.017 -3.394 -0.214 261 HA ARG 32 HA ARG 32 3.989 -6.349 -0.300 262 HB2 ARG 32 2HB ARG 32 4.256 -5.583 2.070 263 HB3 ARG 32 3HB ARG 32 2.843 -4.546 1.903 264 HG2 ARG 32 2HG ARG 32 2.203 -6.524 3.108 265 HG3 ARG 32 3HG ARG 32 1.441 -6.565 1.522 266 HD2 ARG 32 2HD ARG 32 3.546 -8.052 0.884 267 HD3 ARG 32 3HD ARG 32 3.640 -8.313 2.626 268 HE ARG 32 HE ARG 32 1.674 -9.348 0.779 269 HH11 ARG 32 1HH1 ARG 32 2.302 -8.738 4.187 270 HH12 ARG 32 2HH1 ARG 32 1.123 -9.897 4.721 271 HH21 ARG 32 1HH2 ARG 32 0.137 -10.818 1.512 272 HH22 ARG 32 2HH2 ARG 32 -0.083 -11.058 3.217 273 H THR 33 H THR 33 1.838 -7.179 -0.772 274 HA THR 33 HA THR 33 -0.110 -5.172 -1.766 275 HB THR 33 HB THR 33 -0.910 -7.102 -3.279 276 HG1 THR 33 HG1 THR 33 0.189 -8.789 -2.226 277 HG21 THR 33 3HG2 THR 33 1.874 -5.969 -3.727 278 HG22 THR 33 1HG2 THR 33 0.342 -5.246 -4.229 279 HG23 THR 33 2HG2 THR 33 0.885 -6.751 -4.960 280 H ALA 34 H ALA 34 -2.123 -5.302 -1.134 281 HA ALA 34 HA ALA 34 -3.083 -7.536 0.543 282 HB1 ALA 34 3HB ALA 34 -3.386 -5.328 1.584 283 HB2 ALA 34 1HB ALA 34 -4.951 -6.031 1.169 284 HB3 ALA 34 2HB ALA 34 -4.260 -4.753 0.163 285 H THR 35 H THR 35 -5.085 -8.465 -0.054 286 HA THR 35 HA THR 35 -6.252 -8.083 -2.655 287 HB THR 35 HB THR 35 -4.212 -9.322 -3.323 288 HG1 THR 35 HG1 THR 35 -6.095 -9.726 -4.526 289 HG21 THR 35 3HG2 THR 35 -5.228 -11.576 -1.564 290 HG22 THR 35 1HG2 THR 35 -3.794 -10.595 -1.248 291 HG23 THR 35 2HG2 THR 35 -3.845 -11.655 -2.657 292 H SER 36 H SER 36 -5.907 -9.916 0.323 293 HA SER 36 HA SER 36 -8.827 -10.127 0.507 294 HB2 SER 36 2HB SER 36 -8.652 -12.439 1.412 295 HB3 SER 36 3HB SER 36 -8.032 -12.364 -0.240 296 HG SER 36 HG SER 36 -5.912 -12.165 0.713 297 H SER 37 H SER 37 -9.422 -10.727 2.790 298 HA SER 37 HA SER 37 -8.503 -8.874 4.665 299 HB2 SER 37 2HB SER 37 -9.897 -10.240 6.298 300 HB3 SER 37 3HB SER 37 -10.751 -9.823 4.810 301 HG SER 37 HG SER 37 -11.115 -11.967 5.131 302 H GLN 38 H GLN 38 -7.397 -12.096 3.924 303 HA GLN 38 HA GLN 38 -6.004 -12.777 6.279 304 HB2 GLN 38 2HB GLN 38 -5.343 -13.599 3.416 305 HB3 GLN 38 3HB GLN 38 -4.802 -14.422 4.872 306 HG2 GLN 38 2HG GLN 38 -7.625 -14.267 3.797 307 HG3 GLN 38 3HG GLN 38 -6.596 -15.692 3.885 308 HE21 GLN 38 1HE2 GLN 38 -8.753 -13.607 5.621 309 HE22 GLN 38 2HE2 GLN 38 -8.827 -14.542 7.072 310 H ASP 39 H ASP 39 -4.833 -11.396 3.195 311 HA ASP 39 HA ASP 39 -2.192 -10.862 3.863 312 HB2 ASP 39 2HB ASP 39 -4.043 -9.374 1.927 313 HB3 ASP 39 3HB ASP 39 -2.297 -9.127 2.003 314 H ILE 40 H ILE 40 -5.009 -8.642 3.964 315 HA ILE 40 HA ILE 40 -3.969 -6.311 4.940 316 HB ILE 40 HB ILE 40 -6.592 -7.700 5.622 317 HG12 ILE 40 2HG1 ILE 40 -6.023 -5.448 3.638 318 HG13 ILE 40 3HG1 ILE 40 -6.111 -7.153 3.200 319 HG21 ILE 40 1HG2 ILE 40 -5.928 -4.784 6.162 320 HG22 ILE 40 2HG2 ILE 40 -6.205 -6.030 7.381 321 HG23 ILE 40 3HG2 ILE 40 -7.523 -5.522 6.325 322 HD11 ILE 40 3HD1 ILE 40 -8.325 -5.407 4.226 323 HD12 ILE 40 1HD1 ILE 40 -8.459 -7.161 4.064 324 HD13 ILE 40 2HD1 ILE 40 -8.169 -6.163 2.643 325 H ARG 41 H ARG 41 -5.339 -8.829 7.111 326 HA ARG 41 HA ARG 41 -4.440 -7.541 9.506 327 HB2 ARG 41 2HB ARG 41 -5.674 -10.285 9.037 328 HB3 ARG 41 3HB ARG 41 -5.315 -9.629 10.634 329 HG2 ARG 41 2HG ARG 41 -6.831 -7.705 10.170 330 HG3 ARG 41 3HG ARG 41 -7.243 -8.422 8.611 331 HD2 ARG 41 2HD ARG 41 -8.233 -10.359 9.742 332 HD3 ARG 41 3HD ARG 41 -7.722 -9.728 11.307 333 HE ARG 41 HE ARG 41 -9.357 -8.047 11.173 334 HH11 ARG 41 1HH1 ARG 41 -9.560 -10.221 8.425 335 HH12 ARG 41 2HH1 ARG 41 -11.171 -9.717 8.003 336 HH21 ARG 41 1HH2 ARG 41 -11.458 -7.381 10.596 337 HH22 ARG 41 2HH2 ARG 41 -12.238 -8.115 9.230 338 H ASP 42 H ASP 42 -2.835 -9.758 7.389 339 HA ASP 42 HA ASP 42 -0.805 -10.547 9.302 340 HB2 ASP 42 2HB ASP 42 -1.257 -11.937 7.319 341 HB3 ASP 42 3HB ASP 42 -0.852 -10.608 6.241 342 H ILE 43 H ILE 43 -1.168 -8.011 6.829 343 HA ILE 43 HA ILE 43 1.452 -6.910 6.811 344 HB ILE 43 HB ILE 43 -1.272 -5.671 6.142 345 HG12 ILE 43 2HG1 ILE 43 0.873 -6.642 4.209 346 HG13 ILE 43 3HG1 ILE 43 -0.486 -7.628 4.721 347 HG21 ILE 43 1HG2 ILE 43 1.457 -4.504 5.502 348 HG22 ILE 43 2HG2 ILE 43 0.303 -3.860 6.670 349 HG23 ILE 43 3HG2 ILE 43 -0.094 -3.867 4.954 350 HD11 ILE 43 3HD1 ILE 43 -0.629 -5.052 3.164 351 HD12 ILE 43 1HD1 ILE 43 -2.023 -5.968 3.746 352 HD13 ILE 43 2HD1 ILE 43 -0.928 -6.684 2.565 353 H ILE 44 H ILE 44 -1.529 -5.869 8.328 354 HA ILE 44 HA ILE 44 -0.550 -3.565 9.630 355 HB ILE 44 HB ILE 44 -3.128 -5.179 9.859 356 HG12 ILE 44 2HG1 ILE 44 -2.512 -2.515 8.483 357 HG13 ILE 44 3HG1 ILE 44 -2.620 -4.066 7.660 358 HG21 ILE 44 1HG2 ILE 44 -2.821 -3.962 11.985 359 HG22 ILE 44 2HG2 ILE 44 -4.151 -3.278 11.048 360 HG23 ILE 44 3HG2 ILE 44 -2.592 -2.454 11.094 361 HD11 ILE 44 3HD1 ILE 44 -4.616 -2.809 7.323 362 HD12 ILE 44 1HD1 ILE 44 -4.847 -2.623 9.062 363 HD13 ILE 44 2HD1 ILE 44 -4.974 -4.219 8.319 364 H LYS 45 H LYS 45 -0.941 -6.927 10.606 365 HA LYS 45 HA LYS 45 -0.630 -6.610 13.403 366 HB2 LYS 45 2HB LYS 45 -1.332 -8.706 11.847 367 HB3 LYS 45 3HB LYS 45 0.343 -9.152 12.107 368 HG2 LYS 45 2HG LYS 45 -0.015 -9.210 14.520 369 HG3 LYS 45 3HG LYS 45 -1.648 -8.558 14.314 370 HD2 LYS 45 2HD LYS 45 -1.652 -11.004 14.756 371 HD3 LYS 45 3HD LYS 45 -2.389 -10.586 13.210 372 HE2 LYS 45 2HE LYS 45 -0.988 -12.587 13.011 373 HE3 LYS 45 3HE LYS 45 -0.336 -11.271 12.038 374 HZ1 LYS 45 3HZ LYS 45 1.199 -10.840 13.946 375 HZ2 LYS 45 1HZ LYS 45 1.460 -12.303 13.139 376 HZ3 LYS 45 2HZ LYS 45 0.669 -12.286 14.630 377 H SER 46 H SER 46 1.670 -7.050 10.752 378 HA SER 46 HA SER 46 4.057 -7.147 12.315 379 HB2 SER 46 2HB SER 46 3.936 -7.995 9.973 380 HB3 SER 46 3HB SER 46 3.655 -6.356 9.385 381 HG SER 46 HG SER 46 5.982 -7.479 10.524 382 H MET 47 H MET 47 2.066 -4.582 10.906 383 HA MET 47 HA MET 47 4.029 -2.483 11.261 384 HB2 MET 47 2HB MET 47 1.111 -2.351 10.413 385 HB3 MET 47 3HB MET 47 2.195 -0.964 10.466 386 HG2 MET 47 2HG MET 47 2.543 -3.400 8.705 387 HG3 MET 47 3HG MET 47 1.967 -1.816 8.193 388 HE1 MET 47 3HE MET 47 5.220 0.383 8.600 389 HE2 MET 47 1HE MET 47 3.915 0.192 9.770 390 HE3 MET 47 2HE MET 47 3.543 0.370 8.054 391 H LYS 48 H LYS 48 1.707 -3.927 13.308 392 HA LYS 48 HA LYS 48 0.882 -1.830 14.982 393 HB2 LYS 48 2HB LYS 48 1.404 -4.770 15.634 394 HB3 LYS 48 3HB LYS 48 0.638 -3.648 16.756 395 HG2 LYS 48 2HG LYS 48 -1.240 -3.342 15.226 396 HG3 LYS 48 3HG LYS 48 -0.460 -4.384 14.036 397 HD2 LYS 48 2HD LYS 48 -2.237 -5.574 15.291 398 HD3 LYS 48 3HD LYS 48 -0.651 -6.311 15.517 399 HE2 LYS 48 2HE LYS 48 -1.911 -6.220 17.628 400 HE3 LYS 48 3HE LYS 48 -0.458 -5.224 17.724 401 HZ1 LYS 48 3HZ LYS 48 -1.851 -3.271 17.289 402 HZ2 LYS 48 1HZ LYS 48 -2.352 -4.099 18.679 403 HZ3 LYS 48 2HZ LYS 48 -3.227 -4.259 17.243 404 H ASP 49 H ASP 49 3.607 -4.058 15.365 405 HA ASP 49 HA ASP 49 4.536 -2.819 17.809 406 HB2 ASP 49 2HB ASP 49 5.738 -5.068 16.126 407 HB3 ASP 49 3HB ASP 49 6.260 -4.616 17.749 408 H ASN 50 H ASN 50 5.454 -2.835 14.399 409 HA ASN 50 HA ASN 50 8.067 -1.685 14.855 410 HB2 ASN 50 2HB ASN 50 8.420 -1.868 12.498 411 HB3 ASN 50 3HB ASN 50 7.571 -3.317 12.988 412 HD21 ASN 50 1HD2 ASN 50 6.847 -3.769 10.918 413 HD22 ASN 50 2HD2 ASN 50 5.661 -2.821 10.093 414 H GLY 51 H GLY 51 8.697 0.247 13.425 415 HA2 GLY 51 2HA GLY 51 6.629 2.383 13.369 416 HA3 GLY 51 3HA GLY 51 8.189 2.659 14.137 417 H LYS 52 H LYS 52 7.692 0.732 11.239 418 HA LYS 52 HA LYS 52 9.654 2.366 9.786 419 HB2 LYS 52 2HB LYS 52 9.901 0.476 8.316 420 HB3 LYS 52 3HB LYS 52 9.818 -0.177 9.946 421 HG2 LYS 52 2HG LYS 52 7.436 -0.788 9.577 422 HG3 LYS 52 3HG LYS 52 7.535 -0.130 7.942 423 HD2 LYS 52 2HD LYS 52 7.722 -2.572 7.882 424 HD3 LYS 52 3HD LYS 52 9.238 -1.835 7.357 425 HE2 LYS 52 2HE LYS 52 10.269 -2.305 9.504 426 HE3 LYS 52 3HE LYS 52 8.735 -2.873 10.167 427 HZ1 LYS 52 3HZ LYS 52 10.236 -4.164 7.946 428 HZ2 LYS 52 1HZ LYS 52 8.773 -4.705 8.600 429 HZ3 LYS 52 2HZ LYS 52 10.170 -4.703 9.545 430 HA PRO 53 HA PRO 53 6.395 3.535 6.678 431 HB2 PRO 53 2HB PRO 53 7.817 3.876 4.420 432 HB3 PRO 53 3HB PRO 53 8.057 4.986 5.790 433 HG2 PRO 53 2HG PRO 53 9.693 2.562 5.057 434 HG3 PRO 53 3HG PRO 53 10.245 4.218 5.385 435 HD2 PRO 53 2HD PRO 53 10.300 2.301 7.305 436 HD3 PRO 53 3HD PRO 53 9.968 4.005 7.700 437 H LEU 54 H LEU 54 5.404 2.610 4.749 438 HA LEU 54 HA LEU 54 6.303 0.103 3.657 439 HB2 LEU 54 2HB LEU 54 5.038 -0.372 5.935 440 HB3 LEU 54 3HB LEU 54 3.587 0.043 5.039 441 HG LEU 54 HG LEU 54 4.230 -1.802 3.372 442 HD11 LEU 54 1HD1 LEU 54 5.773 -3.546 4.139 443 HD12 LEU 54 2HD1 LEU 54 6.189 -2.577 5.554 444 HD13 LEU 54 3HD1 LEU 54 6.601 -2.001 3.937 445 HD21 LEU 54 3HD2 LEU 54 3.314 -3.596 4.727 446 HD22 LEU 54 1HD2 LEU 54 2.453 -2.092 5.046 447 HD23 LEU 54 2HD2 LEU 54 3.640 -2.691 6.207 448 H VAL 55 H VAL 55 4.599 -0.651 2.013 449 HA VAL 55 HA VAL 55 2.890 1.470 0.934 450 HB VAL 55 HB VAL 55 5.108 0.206 -0.774 451 HG11 VAL 55 1HG1 VAL 55 2.920 2.162 -1.580 452 HG12 VAL 55 2HG1 VAL 55 3.016 0.459 -2.041 453 HG13 VAL 55 3HG1 VAL 55 4.233 1.595 -2.615 454 HG21 VAL 55 3HG2 VAL 55 6.014 2.468 -1.059 455 HG22 VAL 55 1HG2 VAL 55 5.977 2.043 0.651 456 HG23 VAL 55 2HG2 VAL 55 4.760 3.136 -0.013 457 H VAL 56 H VAL 56 1.036 0.306 0.988 458 HA VAL 56 HA VAL 56 1.055 -2.510 0.089 459 HB VAL 56 HB VAL 56 -0.958 -1.004 1.814 460 HG11 VAL 56 1HG1 VAL 56 -2.236 -2.506 0.340 461 HG12 VAL 56 2HG1 VAL 56 -2.230 -3.132 1.988 462 HG13 VAL 56 3HG1 VAL 56 -1.184 -3.859 0.767 463 HG21 VAL 56 3HG2 VAL 56 0.819 -3.406 2.396 464 HG22 VAL 56 1HG2 VAL 56 -0.305 -2.653 3.530 465 HG23 VAL 56 2HG2 VAL 56 1.102 -1.757 2.956 466 H PHE 57 H PHE 57 0.694 -2.708 -1.959 467 HA PHE 57 HA PHE 57 -1.067 -1.003 -3.550 468 HB2 PHE 57 2HB PHE 57 0.579 -3.491 -4.192 469 HB3 PHE 57 3HB PHE 57 -0.419 -2.670 -5.374 470 HD1 PHE 57 HD2 PHE 57 2.691 -2.476 -3.378 471 HD2 PHE 57 HD1 PHE 57 0.302 -0.581 -6.374 472 HE1 PHE 57 HE2 PHE 57 4.574 -0.994 -3.955 473 HE2 PHE 57 HE1 PHE 57 2.185 0.886 -6.937 474 HZ PHE 57 HZ PHE 57 4.320 0.690 -5.730 475 H VAL 58 H VAL 58 -3.228 -1.475 -3.721 476 HA VAL 58 HA VAL 58 -4.323 -3.979 -2.708 477 HB VAL 58 HB VAL 58 -5.757 -1.635 -4.063 478 HG11 VAL 58 1HG1 VAL 58 -7.112 -3.689 -4.158 479 HG12 VAL 58 2HG1 VAL 58 -7.827 -2.533 -3.034 480 HG13 VAL 58 3HG1 VAL 58 -6.920 -3.916 -2.419 481 HG21 VAL 58 3HG2 VAL 58 -6.366 -0.902 -1.781 482 HG22 VAL 58 1HG2 VAL 58 -4.615 -0.915 -2.007 483 HG23 VAL 58 2HG2 VAL 58 -5.397 -2.211 -1.100 484 H ASN 59 H ASN 59 -3.281 -5.419 -4.119 485 HA ASN 59 HA ASN 59 -3.652 -5.235 -7.023 486 HB2 ASN 59 2HB ASN 59 -1.377 -5.612 -6.108 487 HB3 ASN 59 3HB ASN 59 -1.929 -7.063 -5.287 488 HD21 ASN 59 1HD2 ASN 59 -0.445 -8.396 -6.316 489 HD22 ASN 59 2HD2 ASN 59 -0.546 -8.800 -7.996 490 H GLY 60 H GLY 60 -5.605 -6.004 -7.605 491 HA2 GLY 60 2HA GLY 60 -7.147 -7.593 -8.224 492 HA3 GLY 60 3HA GLY 60 -6.138 -8.823 -7.480 493 H ALA 61 H ALA 61 -7.899 -5.972 -6.292 494 HA ALA 61 HA ALA 61 -9.750 -7.561 -4.710 495 HB1 ALA 61 3HB ALA 61 -7.723 -5.740 -3.360 496 HB2 ALA 61 1HB ALA 61 -7.816 -7.494 -3.226 497 HB3 ALA 61 2HB ALA 61 -9.103 -6.497 -2.560 498 H SER 62 H SER 62 -10.788 -5.609 -3.095 499 HA SER 62 HA SER 62 -11.791 -3.583 -5.007 500 HB2 SER 62 2HB SER 62 -13.250 -5.680 -4.886 501 HB3 SER 62 3HB SER 62 -13.551 -5.299 -3.188 502 HG SER 62 HG SER 62 -14.233 -3.753 -5.475 503 H GLN 63 H GLN 63 -13.572 -2.241 -3.557 504 HA GLN 63 HA GLN 63 -12.092 -0.724 -1.669 505 HB2 GLN 63 2HB GLN 63 -13.903 0.235 -3.119 506 HB3 GLN 63 3HB GLN 63 -15.103 -0.671 -2.203 507 HG2 GLN 63 2HG GLN 63 -15.067 1.660 -1.481 508 HG3 GLN 63 3HG GLN 63 -14.518 0.617 -0.171 509 HE21 GLN 63 1HE2 GLN 63 -13.381 2.207 0.896 510 HE22 GLN 63 2HE2 GLN 63 -11.954 2.955 0.273 511 H ASN 64 H ASN 64 -14.245 -3.456 -1.394 512 HA ASN 64 HA ASN 64 -14.788 -3.629 1.318 513 HB2 ASN 64 2HB ASN 64 -13.807 -5.923 -0.458 514 HB3 ASN 64 3HB ASN 64 -14.721 -6.093 1.039 515 HD21 ASN 64 1HD2 ASN 64 -16.960 -5.636 1.020 516 HD22 ASN 64 2HD2 ASN 64 -17.851 -5.475 -0.454 517 H ASP 65 H ASP 65 -11.843 -4.644 -0.410 518 HA ASP 65 HA ASP 65 -10.299 -5.551 1.803 519 HB2 ASP 65 2HB ASP 65 -9.844 -6.275 -0.487 520 HB3 ASP 65 3HB ASP 65 -9.505 -4.637 -1.002 521 H VAL 66 H VAL 66 -10.460 -2.499 0.025 522 HA VAL 66 HA VAL 66 -8.381 -1.066 1.268 523 HB VAL 66 HB VAL 66 -10.974 -0.064 0.001 524 HG11 VAL 66 1HG1 VAL 66 -8.492 1.545 0.706 525 HG12 VAL 66 2HG1 VAL 66 -10.083 1.695 1.456 526 HG13 VAL 66 3HG1 VAL 66 -9.862 2.137 -0.237 527 HG21 VAL 66 3HG2 VAL 66 -9.529 -1.357 -1.538 528 HG22 VAL 66 1HG2 VAL 66 -8.171 -0.291 -1.172 529 HG23 VAL 66 2HG2 VAL 66 -9.591 0.344 -2.008 530 H ASN 67 H ASN 67 -11.832 -1.376 2.124 531 HA ASN 67 HA ASN 67 -11.851 0.487 4.278 532 HB2 ASN 67 2HB ASN 67 -13.753 -1.839 3.704 533 HB3 ASN 67 3HB ASN 67 -14.019 -0.632 4.961 534 HD21 ASN 67 1HD2 ASN 67 -15.650 -1.294 2.698 535 HD22 ASN 67 2HD2 ASN 67 -15.843 0.149 1.771 536 H GLU 68 H GLU 68 -11.524 -3.078 4.153 537 HA GLU 68 HA GLU 68 -11.447 -3.520 6.933 538 HB2 GLU 68 2HB GLU 68 -10.073 -5.205 4.799 539 HB3 GLU 68 3HB GLU 68 -10.441 -5.718 6.437 540 HG2 GLU 68 2HG GLU 68 -12.403 -5.154 4.213 541 HG3 GLU 68 3HG GLU 68 -12.017 -6.713 4.920 542 H PHE 69 H PHE 69 -8.912 -2.735 4.592 543 HA PHE 69 HA PHE 69 -6.664 -3.029 6.257 544 HB2 PHE 69 2HB PHE 69 -6.515 -2.736 3.767 545 HB3 PHE 69 3HB PHE 69 -6.988 -1.048 3.947 546 HD1 PHE 69 HD1 PHE 69 -4.286 -3.516 4.536 547 HD2 PHE 69 HD2 PHE 69 -5.370 0.621 4.775 548 HE1 PHE 69 HE1 PHE 69 -1.928 -2.906 4.896 549 HE2 PHE 69 HE2 PHE 69 -3.010 1.216 5.124 550 HZ PHE 69 HZ PHE 69 -1.294 -0.543 5.188 551 H GLN 70 H GLN 70 -8.600 -0.132 5.498 552 HA GLN 70 HA GLN 70 -7.350 1.702 7.175 553 HB2 GLN 70 2HB GLN 70 -10.253 1.613 6.252 554 HB3 GLN 70 3HB GLN 70 -9.494 3.014 7.013 555 HG2 GLN 70 2HG GLN 70 -7.828 3.087 5.158 556 HG3 GLN 70 3HG GLN 70 -8.673 1.745 4.387 557 HE21 GLN 70 1HE2 GLN 70 -9.053 3.045 2.552 558 HE22 GLN 70 2HE2 GLN 70 -10.268 4.271 2.553 559 H ASN 71 H ASN 71 -10.107 -0.423 7.906 560 HA ASN 71 HA ASN 71 -10.772 0.543 10.479 561 HB2 ASN 71 2HB ASN 71 -11.171 -2.276 9.336 562 HB3 ASN 71 3HB ASN 71 -11.944 -1.669 10.798 563 HD21 ASN 71 1HD2 ASN 71 -13.007 -2.634 8.177 564 HD22 ASN 71 2HD2 ASN 71 -14.082 -1.386 7.654 565 H GLU 72 H GLU 72 -9.060 -2.484 9.614 566 HA GLU 72 HA GLU 72 -8.159 -3.128 12.132 567 HB2 GLU 72 2HB GLU 72 -6.793 -3.835 9.506 568 HB3 GLU 72 3HB GLU 72 -6.554 -4.654 11.043 569 HG2 GLU 72 2HG GLU 72 -9.043 -4.631 9.334 570 HG3 GLU 72 3HG GLU 72 -8.020 -6.008 9.717 571 H ALA 73 H ALA 73 -6.474 -1.114 9.676 572 HA ALA 73 HA ALA 73 -4.036 -0.777 10.946 573 HB1 ALA 73 3HB ALA 73 -5.514 1.326 9.326 574 HB2 ALA 73 1HB ALA 73 -4.495 0.046 8.666 575 HB3 ALA 73 2HB ALA 73 -3.783 1.310 9.673 576 H LYS 74 H LYS 74 -6.796 1.500 11.177 577 HA LYS 74 HA LYS 74 -5.583 3.130 13.129 578 HB2 LYS 74 2HB LYS 74 -7.720 4.283 13.333 579 HB3 LYS 74 3HB LYS 74 -7.369 3.934 11.646 580 HG2 LYS 74 2HG LYS 74 -8.940 1.982 11.761 581 HG3 LYS 74 3HG LYS 74 -9.335 2.449 13.417 582 HD2 LYS 74 2HD LYS 74 -11.046 3.261 11.832 583 HD3 LYS 74 3HD LYS 74 -10.225 4.611 12.617 584 HE2 LYS 74 2HE LYS 74 -8.815 4.915 10.610 585 HE3 LYS 74 3HE LYS 74 -9.625 3.555 9.832 586 HZ1 LYS 74 3HZ LYS 74 -10.479 5.725 9.132 587 HZ2 LYS 74 1HZ LYS 74 -10.992 6.041 10.713 588 HZ3 LYS 74 2HZ LYS 74 -11.672 4.764 9.839 589 H LYS 75 H LYS 75 -7.543 0.175 13.599 590 HA LYS 75 HA LYS 75 -8.036 0.803 16.423 591 HB2 LYS 75 2HB LYS 75 -9.252 -1.281 16.561 592 HB3 LYS 75 3HB LYS 75 -9.726 -0.476 15.074 593 HG2 LYS 75 2HG LYS 75 -8.246 -1.988 13.785 594 HG3 LYS 75 3HG LYS 75 -7.779 -2.791 15.284 595 HD2 LYS 75 2HD LYS 75 -9.477 -4.094 14.054 596 HD3 LYS 75 3HD LYS 75 -10.086 -3.565 15.624 597 HE2 LYS 75 2HE LYS 75 -11.368 -1.774 14.554 598 HE3 LYS 75 3HE LYS 75 -10.686 -2.194 12.979 599 HZ1 LYS 75 3HZ LYS 75 -11.790 -4.303 13.059 600 HZ2 LYS 75 1HZ LYS 75 -12.926 -3.078 13.322 601 HZ3 LYS 75 2HZ LYS 75 -12.371 -4.009 14.623 602 H GLU 76 H GLU 76 -5.673 -0.920 14.527 603 HA GLU 76 HA GLU 76 -4.540 -2.303 16.867 604 HB2 GLU 76 2HB GLU 76 -3.843 -2.459 13.907 605 HB3 GLU 76 3HB GLU 76 -3.051 -3.387 15.166 606 HG2 GLU 76 2HG GLU 76 -5.942 -3.609 14.292 607 HG3 GLU 76 3HG GLU 76 -4.666 -4.795 14.051 608 H GLY 77 H GLY 77 -4.211 0.716 15.561 609 HA2 GLY 77 2HA GLY 77 -2.829 2.401 16.347 610 HA3 GLY 77 3HA GLY 77 -1.793 1.204 17.105 611 H VAL 78 H VAL 78 -2.810 1.454 13.745 612 HA VAL 78 HA VAL 78 -0.023 1.944 12.848 613 HB VAL 78 HB VAL 78 -2.237 0.428 11.370 614 HG11 VAL 78 1HG1 VAL 78 0.677 0.813 10.593 615 HG12 VAL 78 2HG1 VAL 78 -0.715 1.557 9.805 616 HG13 VAL 78 3HG1 VAL 78 -0.493 -0.191 9.734 617 HG21 VAL 78 3HG2 VAL 78 -0.922 -1.622 11.774 618 HG22 VAL 78 1HG2 VAL 78 -1.425 -0.875 13.294 619 HG23 VAL 78 2HG2 VAL 78 0.238 -0.699 12.731 620 H SER 79 H SER 79 0.268 3.794 11.677 621 HA SER 79 HA SER 79 -1.978 5.454 10.850 622 HB2 SER 79 2HB SER 79 1.032 5.856 10.550 623 HB3 SER 79 3HB SER 79 -0.202 7.075 10.212 624 HG SER 79 HG SER 79 0.774 6.146 12.638 625 H TYR 80 H TYR 80 -2.412 6.038 8.667 626 HA TYR 80 HA TYR 80 -1.027 4.718 6.463 627 HB2 TYR 80 2HB TYR 80 -2.998 3.585 5.562 628 HB3 TYR 80 3HB TYR 80 -2.755 3.033 7.215 629 HD1 TYR 80 HD1 TYR 80 -4.376 3.727 9.027 630 HD2 TYR 80 HD2 TYR 80 -4.991 4.874 4.950 631 HE1 TYR 80 HE1 TYR 80 -6.700 4.359 9.545 632 HE2 TYR 80 HE2 TYR 80 -7.297 5.503 5.477 633 HH TYR 80 HH TYR 80 -9.025 4.950 7.161 634 H ASP 81 H ASP 81 -1.337 5.775 4.485 635 HA ASP 81 HA ASP 81 -3.250 8.046 4.348 636 HB2 ASP 81 2HB ASP 81 -0.396 7.868 3.285 637 HB3 ASP 81 3HB ASP 81 -1.546 9.033 2.634 638 H VAL 82 H VAL 82 -4.710 7.850 2.766 639 HA VAL 82 HA VAL 82 -4.589 5.540 0.979 640 HB VAL 82 HB VAL 82 -6.871 7.519 1.479 641 HG11 VAL 82 1HG1 VAL 82 -7.033 6.541 -0.783 642 HG12 VAL 82 2HG1 VAL 82 -8.308 5.916 0.259 643 HG13 VAL 82 3HG1 VAL 82 -6.901 4.918 -0.103 644 HG21 VAL 82 3HG2 VAL 82 -7.925 5.657 2.748 645 HG22 VAL 82 1HG2 VAL 82 -6.388 6.148 3.466 646 HG23 VAL 82 2HG2 VAL 82 -6.479 4.676 2.500 647 H LEU 83 H LEU 83 -3.680 5.765 -0.902 648 HA LEU 83 HA LEU 83 -3.741 8.300 -2.437 649 HB2 LEU 83 2HB LEU 83 -1.492 7.400 -1.839 650 HB3 LEU 83 3HB LEU 83 -1.892 5.870 -2.605 651 HG LEU 83 HG LEU 83 -2.053 7.070 -4.815 652 HD11 LEU 83 1HD1 LEU 83 -2.568 9.324 -4.049 653 HD12 LEU 83 2HD1 LEU 83 -1.121 9.328 -5.054 654 HD13 LEU 83 3HD1 LEU 83 -0.973 9.464 -3.300 655 HD21 LEU 83 3HD2 LEU 83 0.373 7.309 -5.154 656 HD22 LEU 83 1HD2 LEU 83 -0.011 5.865 -4.216 657 HD23 LEU 83 2HD2 LEU 83 0.628 7.299 -3.407 658 H LYS 84 H LYS 84 -5.160 8.281 -4.152 659 HA LYS 84 HA LYS 84 -5.603 5.754 -5.638 660 HB2 LYS 84 2HB LYS 84 -7.736 7.816 -4.899 661 HB3 LYS 84 3HB LYS 84 -7.978 6.549 -6.101 662 HG2 LYS 84 2HG LYS 84 -7.536 4.843 -4.340 663 HG3 LYS 84 3HG LYS 84 -7.412 6.134 -3.148 664 HD2 LYS 84 2HD LYS 84 -9.773 6.742 -3.553 665 HD3 LYS 84 3HD LYS 84 -9.890 5.489 -4.794 666 HE2 LYS 84 2HE LYS 84 -9.459 3.753 -3.103 667 HE3 LYS 84 3HE LYS 84 -9.293 4.990 -1.856 668 HZ1 LYS 84 3HZ LYS 84 -11.460 3.983 -1.777 669 HZ2 LYS 84 1HZ LYS 84 -11.757 4.380 -3.393 670 HZ3 LYS 84 2HZ LYS 84 -11.610 5.601 -2.236 671 H SER 85 H SER 85 -4.562 6.033 -7.448 672 HA SER 85 HA SER 85 -5.132 8.276 -9.243 673 HB2 SER 85 2HB SER 85 -2.235 7.591 -8.533 674 HB3 SER 85 3HB SER 85 -2.752 8.784 -9.720 675 HG SER 85 HG SER 85 -3.954 9.434 -7.489 676 H THR 86 H THR 86 -5.144 7.624 -11.377 677 HA THR 86 HA THR 86 -4.291 4.865 -12.061 678 HB THR 86 HB THR 86 -5.803 5.357 -14.170 679 HG1 THR 86 HG1 THR 86 -7.359 7.012 -12.568 680 HG21 THR 86 3HG2 THR 86 -6.449 3.712 -12.454 681 HG22 THR 86 1HG2 THR 86 -7.856 4.627 -13.001 682 HG23 THR 86 2HG2 THR 86 -7.109 5.004 -11.450 683 H ASP 87 H ASP 87 -2.099 5.413 -12.334 684 HA ASP 87 HA ASP 87 -1.196 6.469 -14.751 685 HB2 ASP 87 2HB ASP 87 -1.966 8.661 -13.707 686 HB3 ASP 87 3HB ASP 87 -0.775 8.420 -12.432 687 HA PRO 88 HA PRO 88 1.887 3.706 -12.977 688 HB2 PRO 88 2HB PRO 88 3.809 3.906 -14.993 689 HB3 PRO 88 3HB PRO 88 2.348 2.905 -15.100 690 HG2 PRO 88 2HG PRO 88 2.812 5.664 -16.190 691 HG3 PRO 88 3HG PRO 88 2.050 4.257 -16.972 692 HD2 PRO 88 2HD PRO 88 0.541 6.213 -15.937 693 HD3 PRO 88 3HD PRO 88 0.042 4.512 -15.783 694 H GLU 89 H GLU 89 2.849 7.001 -13.998 695 HA GLU 89 HA GLU 89 5.471 6.672 -12.666 696 HB2 GLU 89 2HB GLU 89 6.155 8.739 -13.796 697 HB3 GLU 89 3HB GLU 89 5.533 7.565 -14.945 698 HG2 GLU 89 2HG GLU 89 3.353 8.813 -14.950 699 HG3 GLU 89 3HG GLU 89 4.110 10.042 -13.940 700 H GLU 90 H GLU 90 2.380 8.234 -12.258 701 HA GLU 90 HA GLU 90 3.118 10.106 -10.216 702 HB2 GLU 90 2HB GLU 90 1.024 10.332 -11.510 703 HB3 GLU 90 3HB GLU 90 0.435 8.804 -10.867 704 HG2 GLU 90 2HG GLU 90 -0.684 10.605 -9.725 705 HG3 GLU 90 3HG GLU 90 0.410 9.815 -8.588 706 H LEU 91 H LEU 91 1.711 6.827 -10.225 707 HA LEU 91 HA LEU 91 1.615 6.533 -7.388 708 HB2 LEU 91 2HB LEU 91 1.690 4.402 -9.551 709 HB3 LEU 91 3HB LEU 91 1.459 4.050 -7.848 710 HG LEU 91 HG LEU 91 -0.450 5.609 -9.642 711 HD11 LEU 91 1HD1 LEU 91 -1.991 3.745 -9.264 712 HD12 LEU 91 2HD1 LEU 91 -0.794 2.923 -8.261 713 HD13 LEU 91 3HD1 LEU 91 -0.488 3.166 -9.980 714 HD21 LEU 91 3HD2 LEU 91 -0.473 6.610 -7.407 715 HD22 LEU 91 1HD2 LEU 91 -0.720 5.025 -6.673 716 HD23 LEU 91 2HD2 LEU 91 -1.967 5.727 -7.704 717 H THR 92 H THR 92 4.122 5.721 -9.816 718 HA THR 92 HA THR 92 5.900 4.338 -8.112 719 HB THR 92 HB THR 92 6.523 5.865 -10.680 720 HG1 THR 92 HG1 THR 92 5.014 3.891 -10.523 721 HG21 THR 92 3HG2 THR 92 8.610 5.429 -9.384 722 HG22 THR 92 1HG2 THR 92 8.545 4.444 -10.850 723 HG23 THR 92 2HG2 THR 92 8.181 3.720 -9.285 724 H GLN 93 H GLN 93 5.649 7.826 -8.924 725 HA GLN 93 HA GLN 93 8.071 8.554 -7.616 726 HB2 GLN 93 2HB GLN 93 7.455 10.853 -7.860 727 HB3 GLN 93 3HB GLN 93 6.968 10.023 -9.329 728 HG2 GLN 93 2HG GLN 93 4.655 10.147 -8.746 729 HG3 GLN 93 3HG GLN 93 5.020 10.649 -7.095 730 HE21 GLN 93 1HE2 GLN 93 5.698 12.774 -6.707 731 HE22 GLN 93 2HE2 GLN 93 5.430 14.041 -7.855 732 H ARG 94 H ARG 94 4.661 8.396 -6.579 733 HA ARG 94 HA ARG 94 5.064 9.619 -4.033 734 HB2 ARG 94 2HB ARG 94 2.819 7.800 -4.986 735 HB3 ARG 94 3HB ARG 94 2.805 8.667 -3.454 736 HG2 ARG 94 2HG ARG 94 2.877 9.927 -6.211 737 HG3 ARG 94 3HG ARG 94 1.479 9.847 -5.142 738 HD2 ARG 94 2HD ARG 94 2.554 11.341 -3.541 739 HD3 ARG 94 3HD ARG 94 4.061 11.310 -4.463 740 HE ARG 94 HE ARG 94 1.677 12.306 -5.822 741 HH11 ARG 94 1HH1 ARG 94 4.724 13.152 -4.222 742 HH12 ARG 94 2HH1 ARG 94 4.726 14.751 -4.897 743 HH21 ARG 94 1HH2 ARG 94 1.758 14.362 -6.673 744 HH22 ARG 94 2HH2 ARG 94 3.070 15.429 -6.270 745 H VAL 95 H VAL 95 5.093 6.234 -5.079 746 HA VAL 95 HA VAL 95 5.331 4.973 -2.566 747 HB VAL 95 HB VAL 95 6.293 4.116 -5.339 748 HG11 VAL 95 1HG1 VAL 95 6.508 1.803 -4.440 749 HG12 VAL 95 2HG1 VAL 95 6.247 2.423 -2.814 750 HG13 VAL 95 3HG1 VAL 95 7.677 2.913 -3.719 751 HG21 VAL 95 3HG2 VAL 95 4.319 2.649 -5.331 752 HG22 VAL 95 1HG2 VAL 95 3.840 4.327 -5.071 753 HG23 VAL 95 2HG2 VAL 95 3.889 3.207 -3.714 754 H ARG 96 H ARG 96 7.843 6.072 -4.875 755 HA ARG 96 HA ARG 96 10.011 5.062 -3.336 756 HB2 ARG 96 2HB ARG 96 11.447 5.844 -5.034 757 HB3 ARG 96 3HB ARG 96 9.953 5.480 -5.879 758 HG2 ARG 96 2HG ARG 96 9.452 8.039 -5.603 759 HG3 ARG 96 3HG ARG 96 11.178 8.169 -5.277 760 HD2 ARG 96 2HD ARG 96 9.855 7.146 -7.803 761 HD3 ARG 96 3HD ARG 96 10.798 8.623 -7.612 762 HE ARG 96 HE ARG 96 12.636 6.796 -6.999 763 HH11 ARG 96 1HH1 ARG 96 10.353 6.832 -9.691 764 HH12 ARG 96 2HH1 ARG 96 11.397 5.939 -10.753 765 HH21 ARG 96 1HH2 ARG 96 14.000 5.638 -8.419 766 HH22 ARG 96 2HH2 ARG 96 13.466 5.265 -10.026 767 H GLU 97 H GLU 97 8.585 8.342 -3.676 768 HA GLU 97 HA GLU 97 10.549 9.658 -2.069 769 HB2 GLU 97 2HB GLU 97 9.185 11.630 -2.170 770 HB3 GLU 97 3HB GLU 97 9.099 10.851 -3.740 771 HG2 GLU 97 2HG GLU 97 6.869 9.892 -3.052 772 HG3 GLU 97 3HG GLU 97 6.958 10.869 -1.594 773 H PHE 98 H PHE 98 7.485 8.024 -1.316 774 HA PHE 98 HA PHE 98 7.199 8.881 1.361 775 HB2 PHE 98 2HB PHE 98 5.418 7.701 0.051 776 HB3 PHE 98 3HB PHE 98 6.355 6.215 0.122 777 HD1 PHE 98 HD1 PHE 98 4.488 8.696 2.190 778 HD2 PHE 98 HD2 PHE 98 6.219 4.780 2.067 779 HE1 PHE 98 HE1 PHE 98 3.378 8.129 4.314 780 HE2 PHE 98 HE2 PHE 98 5.102 4.233 4.188 781 HZ PHE 98 HZ PHE 98 3.685 5.896 5.308 782 H LEU 99 H LEU 99 8.829 6.044 -0.067 783 HA LEU 99 HA LEU 99 9.799 5.051 2.461 784 HB2 LEU 99 2HB LEU 99 10.546 4.308 -0.391 785 HB3 LEU 99 3HB LEU 99 11.085 3.436 1.036 786 HG LEU 99 HG LEU 99 8.170 3.716 0.183 787 HD11 LEU 99 1HD1 LEU 99 8.280 1.336 -0.430 788 HD12 LEU 99 2HD1 LEU 99 10.010 1.317 -0.079 789 HD13 LEU 99 3HD1 LEU 99 9.386 2.309 -1.399 790 HD21 LEU 99 3HD2 LEU 99 7.702 2.014 1.910 791 HD22 LEU 99 1HD2 LEU 99 8.380 3.484 2.611 792 HD23 LEU 99 2HD2 LEU 99 9.393 2.055 2.414 793 H LYS 100 H LYS 100 10.978 7.442 0.234 794 HA LYS 100 HA LYS 100 13.715 7.408 1.217 795 HB2 LYS 100 2HB LYS 100 12.207 9.299 -0.629 796 HB3 LYS 100 3HB LYS 100 13.833 9.669 -0.064 797 HG2 LYS 100 2HG LYS 100 14.656 7.557 -1.089 798 HG3 LYS 100 3HG LYS 100 13.033 7.245 -1.714 799 HD2 LYS 100 2HD LYS 100 13.138 9.301 -3.075 800 HD3 LYS 100 3HD LYS 100 14.719 9.693 -2.394 801 HE2 LYS 100 2HE LYS 100 15.624 7.592 -3.405 802 HE3 LYS 100 3HE LYS 100 14.053 7.317 -4.162 803 HZ1 LYS 100 3HZ LYS 100 14.311 9.374 -5.379 804 HZ2 LYS 100 1HZ LYS 100 15.632 8.368 -5.674 805 HZ3 LYS 100 2HZ LYS 100 15.787 9.685 -4.629 806 H THR 101 H THR 101 10.738 9.240 1.900 807 HA THR 101 HA THR 101 12.135 11.154 3.622 808 HB THR 101 HB THR 101 9.147 10.924 2.984 809 HG1 THR 101 HG1 THR 101 10.657 11.471 1.210 810 HG21 THR 101 3HG2 THR 101 9.566 12.154 5.102 811 HG22 THR 101 1HG2 THR 101 9.007 13.244 3.832 812 HG23 THR 101 2HG2 THR 101 10.715 13.202 4.267 813 H ALA 102 H ALA 102 9.300 8.994 3.970 814 HA ALA 102 HA ALA 102 9.303 8.972 6.814 815 HB1 ALA 102 3HB ALA 102 7.262 8.572 5.482 816 HB2 ALA 102 1HB ALA 102 7.555 7.263 6.630 817 HB3 ALA 102 2HB ALA 102 7.926 7.037 4.919 818 H GLY 103 H GLY 103 11.161 7.210 4.500 819 HA2 GLY 103 2HA GLY 103 11.824 4.968 6.262 820 HA3 GLY 103 3HA GLY 103 12.435 5.260 4.641 821 H SER 104 H SER 104 12.886 8.141 6.012 822 HA SER 104 HA SER 104 15.558 7.508 7.126 823 HB2 SER 104 2HB SER 104 14.914 9.721 5.118 824 HB3 SER 104 3HB SER 104 16.498 9.365 5.815 825 HG SER 104 HG SER 104 15.196 8.161 3.742 826 H LEU 105 H LEU 105 12.724 8.561 8.086 827 HA LEU 105 HA LEU 105 13.386 11.027 9.420 828 HB2 LEU 105 2HB LEU 105 11.186 9.054 10.144 829 HB3 LEU 105 3HB LEU 105 11.331 10.699 10.739 830 HG LEU 105 HG LEU 105 10.727 9.896 7.871 831 HD11 LEU 105 1HD1 LEU 105 8.841 9.464 9.361 832 HD12 LEU 105 2HD1 LEU 105 8.491 10.791 8.260 833 HD13 LEU 105 3HD1 LEU 105 8.892 11.131 9.946 834 HD21 LEU 105 3HD2 LEU 105 10.352 12.274 7.420 835 HD22 LEU 105 1HD2 LEU 105 12.016 11.975 7.917 836 HD23 LEU 105 2HD2 LEU 105 10.871 12.686 9.057 837 H GLU 106 H GLU 106 15.434 10.428 10.308 838 HA GLU 106 HA GLU 106 15.846 8.512 12.354 839 HB2 GLU 106 2HB GLU 106 17.846 9.867 12.944 840 HB3 GLU 106 3HB GLU 106 17.730 9.576 11.212 841 HG2 GLU 106 2HG GLU 106 16.889 11.838 10.837 842 HG3 GLU 106 3HG GLU 106 16.872 12.149 12.570 843 H HIS 107 H HIS 107 14.670 11.818 12.371 844 HA HIS 107 HA HIS 107 13.792 11.620 15.171 845 HB2 HIS 107 2HB HIS 107 13.480 13.911 13.160 846 HB3 HIS 107 3HB HIS 107 13.096 13.974 14.877 847 HD1 HIS 107 HD1 HIS 107 15.737 14.822 12.579 848 HD2 HIS 107 HD2 HIS 107 15.566 13.519 16.527 849 HE1 HIS 107 HE1 HIS 107 17.989 15.341 13.565 850 HE2 HIS 107 HE2 HIS 107 17.918 14.378 15.883 851 H HIS 108 H HIS 108 12.363 9.929 14.896 852 HA HIS 108 HA HIS 108 10.560 9.549 12.740 853 HB2 HIS 108 2HB HIS 108 10.522 8.292 15.522 854 HB3 HIS 108 3HB HIS 108 9.612 7.703 14.134 855 HD1 HIS 108 HD1 HIS 108 10.871 6.290 12.412 856 HD2 HIS 108 HD2 HIS 108 13.322 7.763 15.428 857 HE1 HIS 108 HE1 HIS 108 13.061 5.091 12.155 858 HE2 HIS 108 HE2 HIS 108 14.468 5.898 14.068 859 H HIS 109 H HIS 109 8.578 10.366 12.398 860 HA HIS 109 HA HIS 109 7.348 12.227 14.229 861 HB2 HIS 109 2HB HIS 109 6.333 11.116 11.568 862 HB3 HIS 109 3HB HIS 109 5.552 12.408 12.475 863 HD1 HIS 109 HD1 HIS 109 6.763 12.595 9.532 864 HD2 HIS 109 HD2 HIS 109 8.520 14.053 13.002 865 HE1 HIS 109 HE1 HIS 109 8.306 14.425 8.785 866 HE2 HIS 109 HE2 HIS 109 9.254 15.372 10.908 867 H HIS 110 H HIS 110 6.693 11.182 16.069 868 HA HIS 110 HA HIS 110 5.146 8.725 16.047 869 HB2 HIS 110 2HB HIS 110 5.871 10.604 18.344 870 HB3 HIS 110 3HB HIS 110 5.068 9.046 18.539 871 HD1 HIS 110 HD1 HIS 110 8.252 10.386 19.010 872 HD2 HIS 110 HD2 HIS 110 6.904 6.954 17.087 873 HE1 HIS 110 HE1 HIS 110 10.236 8.851 18.902 874 HE2 HIS 110 HE2 HIS 110 9.339 6.725 17.906 875 H HIS 111 H HIS 111 2.957 8.549 16.148 876 HA HIS 111 HA HIS 111 1.320 11.022 16.300 877 HB2 HIS 111 2HB HIS 111 1.344 9.987 14.036 878 HB3 HIS 111 3HB HIS 111 0.766 8.467 14.711 879 HD1 HIS 111 HD1 HIS 111 -1.710 8.162 14.558 880 HD2 HIS 111 HD2 HIS 111 -0.677 12.185 14.536 881 HE1 HIS 111 HE1 HIS 111 -3.854 9.406 14.175 882 HE2 HIS 111 HE2 HIS 111 -3.169 11.813 13.985 883 H HIS 112 H HIS 112 -0.174 11.106 17.866 884 HA HIS 112 HA HIS 112 -0.869 8.829 19.535 885 HB2 HIS 112 2HB HIS 112 -0.592 11.091 20.547 886 HB3 HIS 112 3HB HIS 112 -1.909 11.707 19.553 887 HD1 HIS 112 HD1 HIS 112 -1.246 9.440 22.500 888 HD2 HIS 112 HD2 HIS 112 -4.496 11.182 20.578 889 HE1 HIS 112 HE1 HIS 112 -3.201 9.091 24.028 890 HE2 HIS 112 HE2 HIS 112 -5.178 9.972 22.760 Start of MODEL 5 1 H1 MET 1 1H MET 1 4.817 1.543 15.310 2 H2 MET 1 2H MET 1 4.697 -0.063 14.796 3 H3 MET 1 3H MET 1 4.077 0.385 16.299 4 HA MET 1 HA MET 1 2.310 0.082 14.747 5 HB2 MET 1 2HB MET 1 2.763 3.042 15.313 6 HB3 MET 1 3HB MET 1 1.207 2.291 14.962 7 HG2 MET 1 2HG MET 1 1.407 0.957 17.039 8 HG3 MET 1 3HG MET 1 2.944 1.759 17.384 9 HE1 MET 1 3HE MET 1 0.650 3.424 20.072 10 HE2 MET 1 1HE MET 1 2.216 2.669 19.771 11 HE3 MET 1 2HE MET 1 0.732 1.735 19.580 12 H GLY 2 H GLY 2 4.949 2.036 13.566 13 HA2 GLY 2 2HA GLY 2 5.788 2.312 11.476 14 HA3 GLY 2 3HA GLY 2 4.664 1.080 10.931 15 H LYS 3 H LYS 3 4.778 2.463 9.016 16 HA LYS 3 HA LYS 3 2.372 4.074 8.865 17 HB2 LYS 3 2HB LYS 3 3.971 5.852 9.282 18 HB3 LYS 3 3HB LYS 3 5.106 5.188 8.108 19 HG2 LYS 3 2HG LYS 3 3.565 5.711 6.283 20 HG3 LYS 3 3HG LYS 3 2.365 6.306 7.423 21 HD2 LYS 3 2HD LYS 3 5.130 7.546 7.195 22 HD3 LYS 3 3HD LYS 3 3.790 8.041 6.154 23 HE2 LYS 3 2HE LYS 3 3.832 8.166 9.182 24 HE3 LYS 3 3HE LYS 3 3.975 9.534 8.074 25 HZ1 LYS 3 3HZ LYS 3 1.621 7.731 8.184 26 HZ2 LYS 3 1HZ LYS 3 1.760 9.158 7.295 27 HZ3 LYS 3 2HZ LYS 3 1.715 9.211 8.985 28 H VAL 4 H VAL 4 1.291 3.163 7.229 29 HA VAL 4 HA VAL 4 2.733 1.790 5.043 30 HB VAL 4 HB VAL 4 -0.229 1.529 5.758 31 HG11 VAL 4 1HG1 VAL 4 1.577 -0.224 4.046 32 HG12 VAL 4 2HG1 VAL 4 0.339 0.881 3.446 33 HG13 VAL 4 3HG1 VAL 4 -0.130 -0.531 4.395 34 HG21 VAL 4 3HG2 VAL 4 0.326 -0.602 6.885 35 HG22 VAL 4 1HG2 VAL 4 1.111 0.763 7.684 36 HG23 VAL 4 2HG2 VAL 4 2.046 -0.299 6.628 37 H LEU 5 H LEU 5 2.378 2.398 2.913 38 HA LEU 5 HA LEU 5 0.539 4.611 2.304 39 HB2 LEU 5 2HB LEU 5 2.890 4.749 1.463 40 HB3 LEU 5 3HB LEU 5 2.648 3.261 0.566 41 HG LEU 5 HG LEU 5 0.874 4.418 -0.806 42 HD11 LEU 5 1HD1 LEU 5 0.180 6.129 0.778 43 HD12 LEU 5 2HD1 LEU 5 0.681 6.858 -0.744 44 HD13 LEU 5 3HD1 LEU 5 1.756 6.922 0.656 45 HD21 LEU 5 3HD2 LEU 5 3.158 4.234 -1.644 46 HD22 LEU 5 1HD2 LEU 5 3.591 5.756 -0.859 47 HD23 LEU 5 2HD2 LEU 5 2.409 5.739 -2.173 48 H LEU 6 H LEU 6 -1.478 3.882 1.867 49 HA LEU 6 HA LEU 6 -1.950 1.185 0.884 50 HB2 LEU 6 2HB LEU 6 -3.308 2.255 2.752 51 HB3 LEU 6 3HB LEU 6 -3.953 3.383 1.572 52 HG LEU 6 HG LEU 6 -4.965 1.428 0.327 53 HD11 LEU 6 1HD1 LEU 6 -3.997 -0.189 2.701 54 HD12 LEU 6 2HD1 LEU 6 -3.455 -0.334 1.026 55 HD13 LEU 6 3HD1 LEU 6 -5.109 -0.758 1.452 56 HD21 LEU 6 3HD2 LEU 6 -6.338 2.723 1.886 57 HD22 LEU 6 1HD2 LEU 6 -5.838 1.683 3.225 58 HD23 LEU 6 2HD2 LEU 6 -6.806 1.024 1.901 59 H VAL 7 H VAL 7 -1.249 1.212 -1.264 60 HA VAL 7 HA VAL 7 -1.993 3.373 -3.077 61 HB VAL 7 HB VAL 7 -0.412 0.811 -3.620 62 HG11 VAL 7 1HG1 VAL 7 0.278 1.903 -5.764 63 HG12 VAL 7 2HG1 VAL 7 -0.851 3.221 -5.440 64 HG13 VAL 7 3HG1 VAL 7 -1.461 1.580 -5.706 65 HG21 VAL 7 3HG2 VAL 7 1.582 2.282 -3.663 66 HG22 VAL 7 1HG2 VAL 7 0.783 2.313 -2.088 67 HG23 VAL 7 2HG2 VAL 7 0.573 3.659 -3.213 68 H ILE 8 H ILE 8 -4.018 3.296 -3.617 69 HA ILE 8 HA ILE 8 -5.393 0.813 -4.383 70 HB ILE 8 HB ILE 8 -6.609 3.553 -3.803 71 HG12 ILE 8 2HG1 ILE 8 -6.426 1.169 -1.897 72 HG13 ILE 8 3HG1 ILE 8 -5.485 2.651 -1.760 73 HG21 ILE 8 1HG2 ILE 8 -8.743 2.366 -3.655 74 HG22 ILE 8 2HG2 ILE 8 -7.939 0.824 -3.967 75 HG23 ILE 8 3HG2 ILE 8 -7.989 2.064 -5.222 76 HD11 ILE 8 3HD1 ILE 8 -7.571 3.917 -1.429 77 HD12 ILE 8 1HD1 ILE 8 -7.315 2.677 -0.203 78 HD13 ILE 8 2HD1 ILE 8 -8.482 2.405 -1.497 79 H SER 9 H SER 9 -5.684 0.507 -6.501 80 HA SER 9 HA SER 9 -6.149 2.721 -8.344 81 HB2 SER 9 2HB SER 9 -3.683 2.371 -8.447 82 HB3 SER 9 3HB SER 9 -3.935 0.664 -8.793 83 HG SER 9 HG SER 9 -4.217 2.879 -10.429 84 H THR 10 H THR 10 -7.540 2.121 -9.960 85 HA THR 10 HA THR 10 -9.004 -0.345 -9.635 86 HB THR 10 HB THR 10 -9.362 1.829 -11.751 87 HG1 THR 10 HG1 THR 10 -10.667 1.660 -9.221 88 HG21 THR 10 3HG2 THR 10 -11.719 1.120 -11.780 89 HG22 THR 10 1HG2 THR 10 -11.391 -0.112 -10.559 90 HG23 THR 10 2HG2 THR 10 -10.685 -0.255 -12.171 91 H ASP 11 H ASP 11 -6.283 0.604 -11.426 92 HA ASP 11 HA ASP 11 -6.695 -1.319 -13.638 93 HB2 ASP 11 2HB ASP 11 -4.801 1.052 -13.348 94 HB3 ASP 11 3HB ASP 11 -4.713 -0.100 -14.679 95 H THR 12 H THR 12 -6.077 -3.255 -12.808 96 HA THR 12 HA THR 12 -3.985 -3.980 -11.145 97 HB THR 12 HB THR 12 -5.109 -5.493 -13.546 98 HG1 THR 12 HG1 THR 12 -5.843 -5.320 -10.808 99 HG21 THR 12 3HG2 THR 12 -3.530 -6.593 -11.174 100 HG22 THR 12 1HG2 THR 12 -2.993 -6.572 -12.857 101 HG23 THR 12 2HG2 THR 12 -4.363 -7.577 -12.380 102 H ASN 13 H ASN 13 -3.951 -3.258 -14.591 103 HA ASN 13 HA ASN 13 -1.413 -4.119 -15.367 104 HB2 ASN 13 2HB ASN 13 -2.950 -1.697 -16.427 105 HB3 ASN 13 3HB ASN 13 -1.634 -2.524 -17.258 106 HD21 ASN 13 1HD2 ASN 13 -2.770 -3.156 -19.051 107 HD22 ASN 13 2HD2 ASN 13 -4.110 -4.251 -19.018 108 H ILE 14 H ILE 14 -2.477 -1.075 -13.870 109 HA ILE 14 HA ILE 14 0.092 0.228 -14.148 110 HB ILE 14 HB ILE 14 -2.445 1.054 -12.667 111 HG12 ILE 14 2HG1 ILE 14 -2.817 1.020 -15.076 112 HG13 ILE 14 3HG1 ILE 14 -2.676 2.702 -14.580 113 HG21 ILE 14 1HG2 ILE 14 -0.531 2.145 -11.607 114 HG22 ILE 14 2HG2 ILE 14 -1.468 3.329 -12.520 115 HG23 ILE 14 3HG2 ILE 14 0.050 2.711 -13.174 116 HD11 ILE 14 3HD1 ILE 14 -0.349 2.715 -15.402 117 HD12 ILE 14 1HD1 ILE 14 -1.531 2.336 -16.653 118 HD13 ILE 14 2HD1 ILE 14 -0.558 1.048 -15.950 119 H ILE 15 H ILE 15 -1.782 -1.257 -11.509 120 HA ILE 15 HA ILE 15 -0.067 -0.877 -9.347 121 HB ILE 15 HB ILE 15 -1.873 -3.247 -10.006 122 HG12 ILE 15 2HG1 ILE 15 -2.293 -0.765 -8.284 123 HG13 ILE 15 3HG1 ILE 15 -3.072 -1.124 -9.820 124 HG21 ILE 15 1HG2 ILE 15 -0.606 -2.610 -7.318 125 HG22 ILE 15 2HG2 ILE 15 -0.202 -3.979 -8.352 126 HG23 ILE 15 3HG2 ILE 15 -1.803 -3.875 -7.624 127 HD11 ILE 15 3HD1 ILE 15 -4.595 -1.459 -8.008 128 HD12 ILE 15 1HD1 ILE 15 -3.485 -2.570 -7.209 129 HD13 ILE 15 2HD1 ILE 15 -4.229 -3.018 -8.750 130 H SER 16 H SER 16 0.001 -3.402 -11.845 131 HA SER 16 HA SER 16 2.156 -4.944 -10.919 132 HB2 SER 16 2HB SER 16 0.584 -5.717 -12.669 133 HB3 SER 16 3HB SER 16 1.207 -4.501 -13.784 134 HG SER 16 HG SER 16 2.772 -6.562 -12.608 135 H SER 17 H SER 17 2.043 -2.195 -13.192 136 HA SER 17 HA SER 17 4.736 -2.145 -14.013 137 HB2 SER 17 2HB SER 17 2.810 0.217 -13.776 138 HB3 SER 17 3HB SER 17 4.248 0.139 -14.798 139 HG SER 17 HG SER 17 2.628 -1.963 -15.254 140 H VAL 18 H VAL 18 3.094 -0.239 -11.527 141 HA VAL 18 HA VAL 18 5.298 1.298 -10.645 142 HB VAL 18 HB VAL 18 2.587 0.677 -9.384 143 HG11 VAL 18 1HG1 VAL 18 4.575 2.810 -8.527 144 HG12 VAL 18 2HG1 VAL 18 4.102 1.393 -7.590 145 HG13 VAL 18 3HG1 VAL 18 2.918 2.657 -7.930 146 HG21 VAL 18 3HG2 VAL 18 2.509 1.847 -11.573 147 HG22 VAL 18 1HG2 VAL 18 3.536 3.129 -10.923 148 HG23 VAL 18 2HG2 VAL 18 1.916 2.873 -10.269 149 H GLN 19 H GLN 19 3.918 -1.763 -9.595 150 HA GLN 19 HA GLN 19 5.312 -2.135 -7.167 151 HB2 GLN 19 2HB GLN 19 3.316 -3.442 -7.902 152 HB3 GLN 19 3HB GLN 19 4.295 -4.224 -9.136 153 HG2 GLN 19 2HG GLN 19 5.716 -5.192 -7.309 154 HG3 GLN 19 3HG GLN 19 4.608 -4.487 -6.131 155 HE21 GLN 19 1HE2 GLN 19 2.208 -5.072 -7.802 156 HE22 GLN 19 2HE2 GLN 19 1.967 -6.774 -7.653 157 H GLU 20 H GLU 20 6.046 -3.181 -10.512 158 HA GLU 20 HA GLU 20 8.434 -4.616 -9.972 159 HB2 GLU 20 2HB GLU 20 7.467 -3.297 -12.546 160 HB3 GLU 20 3HB GLU 20 8.813 -4.435 -12.452 161 HG2 GLU 20 2HG GLU 20 7.335 -6.228 -11.760 162 HG3 GLU 20 3HG GLU 20 5.974 -5.115 -11.626 163 H ARG 21 H ARG 21 7.793 -1.238 -10.736 164 HA ARG 21 HA ARG 21 10.497 -0.393 -11.130 165 HB2 ARG 21 2HB ARG 21 7.944 1.129 -10.459 166 HB3 ARG 21 3HB ARG 21 9.484 1.929 -10.764 167 HG2 ARG 21 2HG ARG 21 9.514 1.280 -13.044 168 HG3 ARG 21 3HG ARG 21 8.272 0.050 -12.805 169 HD2 ARG 21 2HD ARG 21 6.565 1.755 -12.503 170 HD3 ARG 21 3HD ARG 21 7.772 3.036 -12.543 171 HE ARG 21 HE ARG 21 7.477 3.077 -14.783 172 HH11 ARG 21 1HH1 ARG 21 6.834 -0.275 -13.868 173 HH12 ARG 21 2HH1 ARG 21 6.478 -0.756 -15.494 174 HH21 ARG 21 1HH2 ARG 21 6.947 2.407 -16.871 175 HH22 ARG 21 2HH2 ARG 21 6.538 0.750 -17.183 176 H ALA 22 H ALA 22 8.267 -0.260 -8.335 177 HA ALA 22 HA ALA 22 9.985 1.056 -6.526 178 HB1 ALA 22 3HB ALA 22 7.536 0.972 -6.273 179 HB2 ALA 22 1HB ALA 22 8.357 0.405 -4.811 180 HB3 ALA 22 2HB ALA 22 7.628 -0.756 -5.928 181 H LYS 23 H LYS 23 9.342 -2.422 -7.028 182 HA LYS 23 HA LYS 23 11.004 -3.394 -4.939 183 HB2 LYS 23 2HB LYS 23 9.956 -4.755 -7.448 184 HB3 LYS 23 3HB LYS 23 10.847 -5.607 -6.186 185 HG2 LYS 23 2HG LYS 23 9.090 -5.068 -4.560 186 HG3 LYS 23 3HG LYS 23 8.209 -4.158 -5.788 187 HD2 LYS 23 2HD LYS 23 7.202 -6.367 -5.498 188 HD3 LYS 23 3HD LYS 23 7.901 -6.229 -7.110 189 HE2 LYS 23 2HE LYS 23 9.841 -7.561 -6.404 190 HE3 LYS 23 3HE LYS 23 9.214 -7.634 -4.755 191 HZ1 LYS 23 3HZ LYS 23 7.890 -8.786 -7.154 192 HZ2 LYS 23 1HZ LYS 23 7.300 -8.862 -5.573 193 HZ3 LYS 23 2HZ LYS 23 8.735 -9.658 -5.979 194 H HIS 24 H HIS 24 11.686 -2.405 -8.234 195 HA HIS 24 HA HIS 24 14.325 -3.502 -8.420 196 HB2 HIS 24 2HB HIS 24 13.089 -2.856 -10.434 197 HB3 HIS 24 3HB HIS 24 12.994 -1.189 -9.887 198 HD1 HIS 24 HD1 HIS 24 15.138 0.270 -10.126 199 HD2 HIS 24 HD2 HIS 24 15.526 -3.578 -11.647 200 HE1 HIS 24 HE1 HIS 24 17.244 0.289 -11.485 201 HE2 HIS 24 HE2 HIS 24 17.336 -1.984 -12.558 202 H ASN 25 H ASN 25 12.967 -0.528 -7.127 203 HA ASN 25 HA ASN 25 15.576 0.790 -6.811 204 HB2 ASN 25 2HB ASN 25 12.747 1.787 -6.239 205 HB3 ASN 25 3HB ASN 25 14.206 2.777 -6.167 206 HD21 ASN 25 1HD2 ASN 25 11.784 3.000 -7.876 207 HD22 ASN 25 2HD2 ASN 25 12.371 3.023 -9.501 208 H TYR 26 H TYR 26 13.238 -0.937 -4.921 209 HA TYR 26 HA TYR 26 14.688 -0.398 -2.404 210 HB2 TYR 26 2HB TYR 26 11.640 -0.455 -2.689 211 HB3 TYR 26 3HB TYR 26 12.521 -0.303 -1.170 212 HD1 TYR 26 HD1 TYR 26 14.019 1.765 -0.840 213 HD2 TYR 26 HD2 TYR 26 11.086 1.488 -3.943 214 HE1 TYR 26 HE1 TYR 26 14.071 4.203 -1.110 215 HE2 TYR 26 HE2 TYR 26 11.133 3.909 -4.210 216 HH TYR 26 HH TYR 26 11.791 5.940 -2.595 217 HA PRO 27 HA PRO 27 14.396 -4.885 -1.813 218 HB2 PRO 27 2HB PRO 27 13.922 -4.833 0.988 219 HB3 PRO 27 3HB PRO 27 15.518 -4.851 0.210 220 HG2 PRO 27 2HG PRO 27 13.960 -2.512 1.260 221 HG3 PRO 27 3HG PRO 27 15.706 -2.845 1.367 222 HD2 PRO 27 2HD PRO 27 14.778 -1.072 -0.407 223 HD3 PRO 27 3HD PRO 27 16.101 -2.178 -0.858 224 H GLY 28 H GLY 28 12.750 -6.344 -1.836 225 HA2 GLY 28 2HA GLY 28 10.032 -5.529 -2.020 226 HA3 GLY 28 3HA GLY 28 10.631 -7.177 -2.028 227 H ARG 29 H ARG 29 11.883 -6.108 0.725 228 HA ARG 29 HA ARG 29 10.048 -7.033 2.608 229 HB2 ARG 29 2HB ARG 29 12.292 -4.975 2.877 230 HB3 ARG 29 3HB ARG 29 11.445 -5.699 4.245 231 HG2 ARG 29 2HG ARG 29 12.252 -7.934 3.586 232 HG3 ARG 29 3HG ARG 29 13.087 -7.236 2.196 233 HD2 ARG 29 2HD ARG 29 13.698 -6.430 5.058 234 HD3 ARG 29 3HD ARG 29 14.520 -7.765 4.255 235 HE ARG 29 HE ARG 29 15.278 -6.087 2.572 236 HH11 ARG 29 1HH1 ARG 29 14.462 -4.962 5.813 237 HH12 ARG 29 2HH1 ARG 29 15.497 -3.573 5.710 238 HH21 ARG 29 1HH2 ARG 29 16.678 -4.318 2.504 239 HH22 ARG 29 2HH2 ARG 29 16.753 -3.213 3.840 240 H TYR 30 H TYR 30 10.470 -3.793 1.202 241 HA TYR 30 HA TYR 30 8.454 -2.578 2.945 242 HB2 TYR 30 2HB TYR 30 10.285 -1.421 0.805 243 HB3 TYR 30 3HB TYR 30 9.095 -0.458 1.684 244 HD1 TYR 30 HD1 TYR 30 9.384 0.041 4.074 245 HD2 TYR 30 HD2 TYR 30 12.322 -2.243 1.966 246 HE1 TYR 30 HE1 TYR 30 10.954 0.344 5.937 247 HE2 TYR 30 HE2 TYR 30 13.899 -1.939 3.827 248 HH TYR 30 HH TYR 30 14.284 -0.363 5.678 249 H ILE 31 H ILE 31 8.544 -4.006 -0.193 250 HA ILE 31 HA ILE 31 5.970 -2.755 -0.947 251 HB ILE 31 HB ILE 31 7.948 -4.375 -2.617 252 HG12 ILE 31 2HG1 ILE 31 7.883 -2.248 -4.083 253 HG13 ILE 31 3HG1 ILE 31 7.011 -1.469 -2.770 254 HG21 ILE 31 1HG2 ILE 31 6.388 -4.063 -4.547 255 HG22 ILE 31 2HG2 ILE 31 5.180 -3.419 -3.434 256 HG23 ILE 31 3HG2 ILE 31 5.714 -5.095 -3.285 257 HD11 ILE 31 3HD1 ILE 31 8.953 -1.759 -1.317 258 HD12 ILE 31 1HD1 ILE 31 9.362 -0.874 -2.787 259 HD13 ILE 31 2HD1 ILE 31 9.815 -2.573 -2.627 260 H ARG 32 H ARG 32 4.203 -3.825 -0.507 261 HA ARG 32 HA ARG 32 4.061 -6.766 -0.534 262 HB2 ARG 32 2HB ARG 32 4.209 -6.060 1.819 263 HB3 ARG 32 3HB ARG 32 2.961 -4.844 1.578 264 HG2 ARG 32 2HG ARG 32 2.015 -6.717 2.769 265 HG3 ARG 32 3HG ARG 32 1.305 -6.657 1.156 266 HD2 ARG 32 2HD ARG 32 3.032 -8.440 0.492 267 HD3 ARG 32 3HD ARG 32 3.386 -8.594 2.217 268 HE ARG 32 HE ARG 32 0.895 -9.326 0.837 269 HH11 ARG 32 1HH1 ARG 32 2.697 -9.273 3.865 270 HH12 ARG 32 2HH1 ARG 32 1.642 -10.400 4.643 271 HH21 ARG 32 1HH2 ARG 32 -0.436 -10.833 1.852 272 HH22 ARG 32 2HH2 ARG 32 -0.140 -11.290 3.499 273 H THR 33 H THR 33 1.996 -7.546 -1.238 274 HA THR 33 HA THR 33 0.100 -5.525 -2.311 275 HB THR 33 HB THR 33 -0.597 -7.247 -3.984 276 HG1 THR 33 HG1 THR 33 0.269 -9.209 -4.010 277 HG21 THR 33 3HG2 THR 33 1.128 -5.604 -4.654 278 HG22 THR 33 1HG2 THR 33 1.400 -7.161 -5.435 279 HG23 THR 33 2HG2 THR 33 2.395 -6.679 -4.059 280 H ALA 34 H ALA 34 -2.021 -5.716 -1.803 281 HA ALA 34 HA ALA 34 -2.926 -7.974 -0.122 282 HB1 ALA 34 3HB ALA 34 -3.929 -5.102 -0.094 283 HB2 ALA 34 1HB ALA 34 -2.908 -5.857 1.133 284 HB3 ALA 34 2HB ALA 34 -4.558 -6.429 0.888 285 H THR 35 H THR 35 -3.938 -9.303 -1.488 286 HA THR 35 HA THR 35 -5.829 -8.269 -3.505 287 HB THR 35 HB THR 35 -4.201 -9.952 -4.277 288 HG1 THR 35 HG1 THR 35 -6.950 -10.624 -4.289 289 HG21 THR 35 3HG2 THR 35 -3.872 -11.255 -2.219 290 HG22 THR 35 1HG2 THR 35 -4.337 -12.307 -3.561 291 HG23 THR 35 2HG2 THR 35 -5.524 -11.868 -2.332 292 H SER 36 H SER 36 -5.739 -9.457 -0.333 293 HA SER 36 HA SER 36 -8.651 -9.662 -0.166 294 HB2 SER 36 2HB SER 36 -6.760 -11.863 0.823 295 HB3 SER 36 3HB SER 36 -8.509 -11.824 1.073 296 HG SER 36 HG SER 36 -8.307 -11.600 -1.471 297 H SER 37 H SER 37 -9.423 -9.598 2.026 298 HA SER 37 HA SER 37 -8.128 -7.946 3.911 299 HB2 SER 37 2HB SER 37 -9.897 -8.819 5.506 300 HB3 SER 37 3HB SER 37 -10.536 -8.204 3.980 301 HG SER 37 HG SER 37 -11.232 -10.116 3.505 302 H GLN 38 H GLN 38 -7.848 -11.374 3.301 303 HA GLN 38 HA GLN 38 -6.679 -12.296 5.676 304 HB2 GLN 38 2HB GLN 38 -6.305 -13.204 2.794 305 HB3 GLN 38 3HB GLN 38 -5.556 -14.037 4.148 306 HG2 GLN 38 2HG GLN 38 -7.545 -15.239 3.517 307 HG3 GLN 38 3HG GLN 38 -7.809 -14.503 5.094 308 HE21 GLN 38 1HE2 GLN 38 -9.299 -12.777 5.270 309 HE22 GLN 38 2HE2 GLN 38 -10.462 -12.442 4.035 310 H ASP 39 H ASP 39 -5.151 -11.013 2.716 311 HA ASP 39 HA ASP 39 -2.468 -10.962 3.572 312 HB2 ASP 39 2HB ASP 39 -3.814 -8.997 1.657 313 HB3 ASP 39 3HB ASP 39 -2.082 -9.273 1.805 314 H ILE 40 H ILE 40 -5.024 -8.520 3.670 315 HA ILE 40 HA ILE 40 -3.651 -6.304 4.609 316 HB ILE 40 HB ILE 40 -6.528 -7.211 4.723 317 HG12 ILE 40 2HG1 ILE 40 -5.186 -4.871 3.305 318 HG13 ILE 40 3HG1 ILE 40 -5.487 -6.447 2.584 319 HG21 ILE 40 1HG2 ILE 40 -6.346 -5.929 6.786 320 HG22 ILE 40 2HG2 ILE 40 -7.291 -5.036 5.595 321 HG23 ILE 40 3HG2 ILE 40 -5.617 -4.579 5.912 322 HD11 ILE 40 3HD1 ILE 40 -7.105 -4.882 1.815 323 HD12 ILE 40 1HD1 ILE 40 -7.552 -4.439 3.463 324 HD13 ILE 40 2HD1 ILE 40 -7.910 -6.058 2.851 325 H ARG 41 H ARG 41 -5.501 -8.623 6.601 326 HA ARG 41 HA ARG 41 -4.948 -7.442 9.090 327 HB2 ARG 41 2HB ARG 41 -5.716 -10.303 8.376 328 HB3 ARG 41 3HB ARG 41 -5.691 -9.676 10.030 329 HG2 ARG 41 2HG ARG 41 -7.383 -8.017 9.467 330 HG3 ARG 41 3HG ARG 41 -7.355 -8.516 7.778 331 HD2 ARG 41 2HD ARG 41 -8.260 -10.709 8.394 332 HD3 ARG 41 3HD ARG 41 -8.260 -10.242 10.103 333 HE ARG 41 HE ARG 41 -9.820 -8.410 9.448 334 HH11 ARG 41 1HH1 ARG 41 -9.639 -11.259 7.381 335 HH12 ARG 41 2HH1 ARG 41 -11.237 -11.041 6.744 336 HH21 ARG 41 1HH2 ARG 41 -11.894 -8.142 8.592 337 HH22 ARG 41 2HH2 ARG 41 -12.511 -9.270 7.433 338 H ASP 42 H ASP 42 -3.339 -10.089 7.353 339 HA ASP 42 HA ASP 42 -1.303 -10.731 9.162 340 HB2 ASP 42 2HB ASP 42 -1.826 -12.105 7.197 341 HB3 ASP 42 3HB ASP 42 -1.350 -10.803 6.115 342 H ILE 43 H ILE 43 -1.510 -8.110 6.750 343 HA ILE 43 HA ILE 43 1.184 -7.208 6.859 344 HB ILE 43 HB ILE 43 -1.426 -5.875 6.023 345 HG12 ILE 43 2HG1 ILE 43 0.870 -6.774 4.237 346 HG13 ILE 43 3HG1 ILE 43 -0.479 -7.820 4.651 347 HG21 ILE 43 1HG2 ILE 43 1.344 -4.721 5.643 348 HG22 ILE 43 2HG2 ILE 43 0.089 -4.076 6.704 349 HG23 ILE 43 3HG2 ILE 43 -0.147 -4.069 4.954 350 HD11 ILE 43 3HD1 ILE 43 -2.024 -6.213 3.584 351 HD12 ILE 43 1HD1 ILE 43 -0.816 -6.864 2.476 352 HD13 ILE 43 2HD1 ILE 43 -0.635 -5.232 3.111 353 H ILE 44 H ILE 44 -1.797 -6.072 8.438 354 HA ILE 44 HA ILE 44 -0.680 -3.897 9.861 355 HB ILE 44 HB ILE 44 -3.265 -5.445 10.361 356 HG12 ILE 44 2HG1 ILE 44 -2.784 -2.838 8.831 357 HG13 ILE 44 3HG1 ILE 44 -3.086 -4.406 8.093 358 HG21 ILE 44 1HG2 ILE 44 -2.641 -4.177 12.388 359 HG22 ILE 44 2HG2 ILE 44 -4.069 -3.476 11.624 360 HG23 ILE 44 3HG2 ILE 44 -2.495 -2.698 11.432 361 HD11 ILE 44 3HD1 ILE 44 -5.337 -4.418 9.093 362 HD12 ILE 44 1HD1 ILE 44 -5.061 -3.045 8.020 363 HD13 ILE 44 2HD1 ILE 44 -5.026 -2.814 9.768 364 H LYS 45 H LYS 45 -1.213 -7.310 10.743 365 HA LYS 45 HA LYS 45 -0.616 -7.339 13.450 366 HB2 LYS 45 2HB LYS 45 -0.003 -9.388 11.291 367 HB3 LYS 45 3HB LYS 45 0.309 -9.704 12.995 368 HG2 LYS 45 2HG LYS 45 -2.048 -9.544 13.528 369 HG3 LYS 45 3HG LYS 45 -2.427 -9.015 11.885 370 HD2 LYS 45 2HD LYS 45 -1.585 -11.234 11.028 371 HD3 LYS 45 3HD LYS 45 -1.361 -11.753 12.702 372 HE2 LYS 45 2HE LYS 45 -3.770 -11.525 13.106 373 HE3 LYS 45 3HE LYS 45 -4.009 -10.930 11.462 374 HZ1 LYS 45 3HZ LYS 45 -3.311 -13.045 10.602 375 HZ2 LYS 45 1HZ LYS 45 -4.571 -13.281 11.707 376 HZ3 LYS 45 2HZ LYS 45 -2.975 -13.628 12.153 377 H SER 46 H SER 46 1.640 -7.491 10.707 378 HA SER 46 HA SER 46 4.020 -7.600 12.287 379 HB2 SER 46 2HB SER 46 3.972 -8.522 10.004 380 HB3 SER 46 3HB SER 46 3.596 -6.934 9.340 381 HG SER 46 HG SER 46 5.923 -7.297 10.877 382 H MET 47 H MET 47 2.107 -5.010 10.843 383 HA MET 47 HA MET 47 4.161 -3.012 10.979 384 HB2 MET 47 2HB MET 47 1.171 -2.805 10.472 385 HB3 MET 47 3HB MET 47 2.250 -1.411 10.451 386 HG2 MET 47 2HG MET 47 2.384 -3.809 8.601 387 HG3 MET 47 3HG MET 47 1.850 -2.182 8.180 388 HE1 MET 47 3HE MET 47 4.046 -0.361 9.725 389 HE2 MET 47 1HE MET 47 3.492 -0.069 8.077 390 HE3 MET 47 2HE MET 47 5.219 -0.150 8.424 391 H LYS 48 H LYS 48 1.670 -4.112 13.234 392 HA LYS 48 HA LYS 48 1.500 -1.845 14.917 393 HB2 LYS 48 2HB LYS 48 1.265 -4.765 15.765 394 HB3 LYS 48 3HB LYS 48 0.722 -3.374 16.702 395 HG2 LYS 48 2HG LYS 48 -0.902 -2.838 14.885 396 HG3 LYS 48 3HG LYS 48 -0.387 -4.303 14.045 397 HD2 LYS 48 2HD LYS 48 -1.643 -4.231 16.818 398 HD3 LYS 48 3HD LYS 48 -2.509 -4.602 15.327 399 HE2 LYS 48 2HE LYS 48 -1.056 -6.582 14.997 400 HE3 LYS 48 3HE LYS 48 -0.224 -6.219 16.508 401 HZ1 LYS 48 3HZ LYS 48 -2.270 -6.550 17.699 402 HZ2 LYS 48 1HZ LYS 48 -1.938 -7.915 16.760 403 HZ3 LYS 48 2HZ LYS 48 -3.121 -6.815 16.262 404 H ASP 49 H ASP 49 3.669 -4.635 14.963 405 HA ASP 49 HA ASP 49 5.147 -3.877 17.298 406 HB2 ASP 49 2HB ASP 49 4.902 -6.248 16.531 407 HB3 ASP 49 3HB ASP 49 5.842 -5.875 15.089 408 H ASN 50 H ASN 50 5.633 -3.609 13.809 409 HA ASN 50 HA ASN 50 8.354 -2.671 13.977 410 HB2 ASN 50 2HB ASN 50 6.398 -3.083 11.684 411 HB3 ASN 50 3HB ASN 50 7.998 -2.390 11.417 412 HD21 ASN 50 1HD2 ASN 50 6.746 -5.004 10.593 413 HD22 ASN 50 2HD2 ASN 50 7.902 -6.195 11.075 414 H GLY 51 H GLY 51 9.175 -0.683 13.417 415 HA2 GLY 51 2HA GLY 51 7.325 1.651 13.375 416 HA3 GLY 51 3HA GLY 51 8.982 1.674 13.971 417 H LYS 52 H LYS 52 8.209 -0.092 11.092 418 HA LYS 52 HA LYS 52 9.957 1.604 9.462 419 HB2 LYS 52 2HB LYS 52 8.630 -1.076 8.857 420 HB3 LYS 52 3HB LYS 52 9.786 -0.261 7.808 421 HG2 LYS 52 2HG LYS 52 11.548 -0.536 9.492 422 HG3 LYS 52 3HG LYS 52 10.398 -1.295 10.597 423 HD2 LYS 52 2HD LYS 52 11.238 -2.392 7.877 424 HD3 LYS 52 3HD LYS 52 11.812 -2.976 9.442 425 HE2 LYS 52 2HE LYS 52 9.498 -3.639 10.031 426 HE3 LYS 52 3HE LYS 52 8.935 -3.069 8.460 427 HZ1 LYS 52 3HZ LYS 52 9.251 -5.455 8.505 428 HZ2 LYS 52 1HZ LYS 52 10.886 -5.263 8.891 429 HZ3 LYS 52 2HZ LYS 52 10.302 -4.731 7.395 430 HA PRO 53 HA PRO 53 6.391 2.818 6.797 431 HB2 PRO 53 2HB PRO 53 7.628 3.381 4.450 432 HB3 PRO 53 3HB PRO 53 7.838 4.444 5.864 433 HG2 PRO 53 2HG PRO 53 9.676 2.270 4.864 434 HG3 PRO 53 3HG PRO 53 10.071 3.932 5.362 435 HD2 PRO 53 2HD PRO 53 10.377 1.796 7.048 436 HD3 PRO 53 3HD PRO 53 9.980 3.427 7.636 437 H LEU 54 H LEU 54 5.448 2.055 4.646 438 HA LEU 54 HA LEU 54 6.323 -0.458 3.551 439 HB2 LEU 54 2HB LEU 54 5.041 -0.978 5.795 440 HB3 LEU 54 3HB LEU 54 3.597 -0.528 4.905 441 HG LEU 54 HG LEU 54 4.162 -2.350 3.217 442 HD11 LEU 54 1HD1 LEU 54 6.247 -3.142 5.270 443 HD12 LEU 54 2HD1 LEU 54 6.554 -2.531 3.642 444 HD13 LEU 54 3HD1 LEU 54 5.765 -4.091 3.858 445 HD21 LEU 54 3HD2 LEU 54 3.736 -3.282 6.069 446 HD22 LEU 54 1HD2 LEU 54 3.383 -4.209 4.606 447 HD23 LEU 54 2HD2 LEU 54 2.484 -2.733 4.950 448 H VAL 55 H VAL 55 4.644 -1.203 1.865 449 HA VAL 55 HA VAL 55 2.986 0.956 0.763 450 HB VAL 55 HB VAL 55 5.127 -0.415 -0.943 451 HG11 VAL 55 1HG1 VAL 55 3.074 0.051 -2.207 452 HG12 VAL 55 2HG1 VAL 55 4.376 1.108 -2.750 453 HG13 VAL 55 3HG1 VAL 55 3.114 1.740 -1.689 454 HG21 VAL 55 3HG2 VAL 55 6.220 1.777 -1.164 455 HG22 VAL 55 1HG2 VAL 55 6.156 1.288 0.528 456 HG23 VAL 55 2HG2 VAL 55 5.028 2.502 -0.080 457 H VAL 56 H VAL 56 1.117 -0.161 0.838 458 HA VAL 56 HA VAL 56 0.991 -2.986 -0.005 459 HB VAL 56 HB VAL 56 -0.883 -1.295 1.696 460 HG11 VAL 56 1HG1 VAL 56 -2.297 -3.320 1.984 461 HG12 VAL 56 2HG1 VAL 56 -1.334 -4.155 0.761 462 HG13 VAL 56 3HG1 VAL 56 -2.303 -2.749 0.313 463 HG21 VAL 56 3HG2 VAL 56 0.736 -3.794 2.337 464 HG22 VAL 56 1HG2 VAL 56 -0.319 -2.930 3.462 465 HG23 VAL 56 2HG2 VAL 56 1.136 -2.149 2.839 466 H PHE 57 H PHE 57 0.523 -3.247 -2.048 467 HA PHE 57 HA PHE 57 -1.059 -1.397 -3.633 468 HB2 PHE 57 2HB PHE 57 0.409 -3.979 -4.308 469 HB3 PHE 57 3HB PHE 57 -0.524 -3.071 -5.487 470 HD1 PHE 57 HD1 PHE 57 0.242 -0.850 -6.263 471 HD2 PHE 57 HD2 PHE 57 2.627 -3.186 -3.577 472 HE1 PHE 57 HE1 PHE 57 2.192 0.548 -6.767 473 HE2 PHE 57 HE2 PHE 57 4.568 -1.762 -4.090 474 HZ PHE 57 HZ PHE 57 4.354 0.099 -5.684 475 H VAL 58 H VAL 58 -3.198 -1.531 -3.276 476 HA VAL 58 HA VAL 58 -4.638 -3.942 -2.620 477 HB VAL 58 HB VAL 58 -5.755 -1.219 -3.447 478 HG11 VAL 58 1HG1 VAL 58 -7.116 -3.524 -1.992 479 HG12 VAL 58 2HG1 VAL 58 -7.428 -3.018 -3.653 480 HG13 VAL 58 3HG1 VAL 58 -7.833 -1.943 -2.317 481 HG21 VAL 58 3HG2 VAL 58 -5.204 -2.289 -0.654 482 HG22 VAL 58 1HG2 VAL 58 -6.020 -0.768 -1.031 483 HG23 VAL 58 2HG2 VAL 58 -4.325 -0.991 -1.465 484 H ASN 59 H ASN 59 -4.356 -5.374 -4.301 485 HA ASN 59 HA ASN 59 -5.263 -4.616 -7.023 486 HB2 ASN 59 2HB ASN 59 -2.880 -5.340 -6.877 487 HB3 ASN 59 3HB ASN 59 -3.383 -6.874 -6.170 488 HD21 ASN 59 1HD2 ASN 59 -2.554 -8.142 -7.817 489 HD22 ASN 59 2HD2 ASN 59 -3.181 -8.149 -9.428 490 H GLY 60 H GLY 60 -7.332 -5.258 -7.307 491 HA2 GLY 60 2HA GLY 60 -8.995 -6.826 -7.749 492 HA3 GLY 60 3HA GLY 60 -8.079 -8.055 -6.892 493 H ALA 61 H ALA 61 -7.784 -6.597 -4.408 494 HA ALA 61 HA ALA 61 -10.126 -7.264 -3.006 495 HB1 ALA 61 3HB ALA 61 -7.921 -5.338 -2.178 496 HB2 ALA 61 1HB ALA 61 -7.926 -7.083 -1.922 497 HB3 ALA 61 2HB ALA 61 -9.109 -6.072 -1.094 498 H SER 62 H SER 62 -12.001 -6.214 -2.718 499 HA SER 62 HA SER 62 -12.515 -3.747 -4.145 500 HB2 SER 62 2HB SER 62 -14.090 -5.705 -4.229 501 HB3 SER 62 3HB SER 62 -14.436 -5.480 -2.517 502 HG SER 62 HG SER 62 -16.012 -4.372 -3.481 503 H GLN 63 H GLN 63 -14.260 -2.280 -2.892 504 HA GLN 63 HA GLN 63 -12.771 -0.727 -1.100 505 HB2 GLN 63 2HB GLN 63 -14.534 0.189 -2.586 506 HB3 GLN 63 3HB GLN 63 -15.771 -0.619 -1.630 507 HG2 GLN 63 2HG GLN 63 -15.636 1.773 -1.074 508 HG3 GLN 63 3HG GLN 63 -15.208 0.776 0.318 509 HE21 GLN 63 1HE2 GLN 63 -13.989 2.325 1.338 510 HE22 GLN 63 2HE2 GLN 63 -12.488 2.929 0.741 511 H ASN 64 H ASN 64 -15.055 -3.313 -0.480 512 HA ASN 64 HA ASN 64 -15.594 -3.040 2.235 513 HB2 ASN 64 2HB ASN 64 -16.645 -4.823 0.964 514 HB3 ASN 64 3HB ASN 64 -15.090 -5.550 0.575 515 HD21 ASN 64 1HD2 ASN 64 -14.048 -6.829 2.132 516 HD22 ASN 64 2HD2 ASN 64 -14.826 -7.360 3.579 517 H ASP 65 H ASP 65 -12.802 -4.654 0.700 518 HA ASP 65 HA ASP 65 -11.544 -5.426 3.170 519 HB2 ASP 65 2HB ASP 65 -10.272 -5.291 0.402 520 HB3 ASP 65 3HB ASP 65 -9.700 -6.224 1.785 521 H VAL 66 H VAL 66 -11.211 -2.786 0.870 522 HA VAL 66 HA VAL 66 -8.903 -1.480 1.811 523 HB VAL 66 HB VAL 66 -11.427 -0.334 0.527 524 HG11 VAL 66 1HG1 VAL 66 -10.254 1.501 1.655 525 HG12 VAL 66 2HG1 VAL 66 -10.078 1.658 -0.093 526 HG13 VAL 66 3HG1 VAL 66 -8.735 1.044 0.875 527 HG21 VAL 66 3HG2 VAL 66 -10.123 -0.362 -1.573 528 HG22 VAL 66 1HG2 VAL 66 -10.242 -1.983 -0.883 529 HG23 VAL 66 2HG2 VAL 66 -8.745 -1.060 -0.720 530 H ASN 67 H ASN 67 -12.309 -1.116 2.780 531 HA ASN 67 HA ASN 67 -11.917 0.855 4.794 532 HB2 ASN 67 2HB ASN 67 -14.203 -1.096 4.320 533 HB3 ASN 67 3HB ASN 67 -14.240 0.140 5.577 534 HD21 ASN 67 1HD2 ASN 67 -15.806 -0.306 3.037 535 HD22 ASN 67 2HD2 ASN 67 -15.756 1.219 2.238 536 H GLU 68 H GLU 68 -11.952 -2.690 4.851 537 HA GLU 68 HA GLU 68 -11.884 -3.047 7.659 538 HB2 GLU 68 2HB GLU 68 -10.863 -4.880 5.444 539 HB3 GLU 68 3HB GLU 68 -11.023 -5.353 7.139 540 HG2 GLU 68 2HG GLU 68 -13.483 -4.856 6.981 541 HG3 GLU 68 3HG GLU 68 -13.268 -4.553 5.259 542 H PHE 69 H PHE 69 -9.322 -2.590 5.239 543 HA PHE 69 HA PHE 69 -7.061 -2.901 6.874 544 HB2 PHE 69 2HB PHE 69 -6.946 -2.733 4.384 545 HB3 PHE 69 3HB PHE 69 -7.412 -1.040 4.478 546 HD1 PHE 69 HD2 PHE 69 -5.791 0.673 5.331 547 HD2 PHE 69 HD1 PHE 69 -4.665 -3.440 4.921 548 HE1 PHE 69 HE2 PHE 69 -3.428 1.284 5.531 549 HE2 PHE 69 HE1 PHE 69 -2.302 -2.804 5.124 550 HZ PHE 69 HZ PHE 69 -1.686 -0.443 5.433 551 H GLN 70 H GLN 70 -8.767 0.078 5.915 552 HA GLN 70 HA GLN 70 -7.411 1.980 7.367 553 HB2 GLN 70 2HB GLN 70 -10.365 1.878 6.631 554 HB3 GLN 70 3HB GLN 70 -9.559 3.329 7.230 555 HG2 GLN 70 2HG GLN 70 -8.140 3.430 5.276 556 HG3 GLN 70 3HG GLN 70 -8.720 1.861 4.713 557 HE21 GLN 70 1HE2 GLN 70 -9.370 2.772 2.732 558 HE22 GLN 70 2HE2 GLN 70 -10.773 3.771 2.591 559 H ASN 71 H ASN 71 -10.246 0.125 8.431 560 HA ASN 71 HA ASN 71 -10.563 1.412 10.950 561 HB2 ASN 71 2HB ASN 71 -11.640 -1.242 9.932 562 HB3 ASN 71 3HB ASN 71 -12.121 -0.512 11.462 563 HD21 ASN 71 1HD2 ASN 71 -13.687 -1.148 9.030 564 HD22 ASN 71 2HD2 ASN 71 -14.458 0.333 8.588 565 H GLU 72 H GLU 72 -9.405 -1.918 10.202 566 HA GLU 72 HA GLU 72 -8.558 -2.572 12.756 567 HB2 GLU 72 2HB GLU 72 -7.571 -3.626 10.080 568 HB3 GLU 72 3HB GLU 72 -7.208 -4.382 11.636 569 HG2 GLU 72 2HG GLU 72 -9.644 -4.703 12.029 570 HG3 GLU 72 3HG GLU 72 -9.981 -3.983 10.453 571 H ALA 73 H ALA 73 -6.738 -0.779 10.285 572 HA ALA 73 HA ALA 73 -4.264 -0.768 11.696 573 HB1 ALA 73 3HB ALA 73 -4.388 -0.320 9.284 574 HB2 ALA 73 1HB ALA 73 -3.596 1.012 10.139 575 HB3 ALA 73 2HB ALA 73 -5.267 1.177 9.593 576 H LYS 74 H LYS 74 -6.849 1.716 11.407 577 HA LYS 74 HA LYS 74 -5.604 3.696 12.945 578 HB2 LYS 74 2HB LYS 74 -7.710 4.892 12.967 579 HB3 LYS 74 3HB LYS 74 -7.519 4.125 11.396 580 HG2 LYS 74 2HG LYS 74 -9.069 2.327 12.092 581 HG3 LYS 74 3HG LYS 74 -9.280 3.114 13.656 582 HD2 LYS 74 2HD LYS 74 -10.058 4.274 10.950 583 HD3 LYS 74 3HD LYS 74 -11.167 3.558 12.121 584 HE2 LYS 74 2HE LYS 74 -10.508 5.357 13.752 585 HE3 LYS 74 3HE LYS 74 -9.545 6.105 12.474 586 HZ1 LYS 74 3HZ LYS 74 -11.668 7.169 12.586 587 HZ2 LYS 74 1HZ LYS 74 -12.490 5.694 12.478 588 HZ3 LYS 74 2HZ LYS 74 -11.612 6.273 11.154 589 H LYS 75 H LYS 75 -7.696 1.028 14.008 590 HA LYS 75 HA LYS 75 -8.106 2.102 16.646 591 HB2 LYS 75 2HB LYS 75 -9.311 0.072 17.124 592 HB3 LYS 75 3HB LYS 75 -9.741 0.602 15.504 593 HG2 LYS 75 2HG LYS 75 -8.114 -1.114 14.601 594 HG3 LYS 75 3HG LYS 75 -7.919 -1.707 16.257 595 HD2 LYS 75 2HD LYS 75 -10.450 -2.065 16.301 596 HD3 LYS 75 3HD LYS 75 -10.458 -1.713 14.568 597 HE2 LYS 75 2HE LYS 75 -10.430 -4.134 14.917 598 HE3 LYS 75 3HE LYS 75 -8.894 -3.629 14.211 599 HZ1 LYS 75 3HZ LYS 75 -9.376 -4.185 17.090 600 HZ2 LYS 75 1HZ LYS 75 -7.896 -3.724 16.410 601 HZ3 LYS 75 2HZ LYS 75 -8.589 -5.211 16.007 602 H GLU 76 H GLU 76 -5.689 0.083 15.143 603 HA GLU 76 HA GLU 76 -4.430 -0.659 17.694 604 HB2 GLU 76 2HB GLU 76 -3.633 -1.294 14.820 605 HB3 GLU 76 3HB GLU 76 -2.882 -1.968 16.267 606 HG2 GLU 76 2HG GLU 76 -5.729 -2.425 15.321 607 HG3 GLU 76 3HG GLU 76 -4.404 -3.580 15.246 608 H GLY 77 H GLY 77 -4.433 2.081 15.856 609 HA2 GLY 77 2HA GLY 77 -3.148 3.984 16.074 610 HA3 GLY 77 3HA GLY 77 -1.996 3.091 17.050 611 H VAL 78 H VAL 78 -2.564 1.473 14.151 612 HA VAL 78 HA VAL 78 0.042 2.034 13.075 613 HB VAL 78 HB VAL 78 -2.296 0.442 11.910 614 HG11 VAL 78 1HG1 VAL 78 -0.777 1.165 10.092 615 HG12 VAL 78 2HG1 VAL 78 -0.681 -0.578 10.342 616 HG13 VAL 78 3HG1 VAL 78 0.598 0.471 10.957 617 HG21 VAL 78 3HG2 VAL 78 0.201 -0.534 13.352 618 HG22 VAL 78 1HG2 VAL 78 -1.055 -1.560 12.653 619 HG23 VAL 78 2HG2 VAL 78 -1.434 -0.507 14.019 620 H SER 79 H SER 79 0.565 3.620 11.668 621 HA SER 79 HA SER 79 -1.412 5.483 10.692 622 HB2 SER 79 2HB SER 79 1.594 5.315 10.212 623 HB3 SER 79 3HB SER 79 0.567 6.654 9.696 624 HG SER 79 HG SER 79 0.061 6.309 12.230 625 H TYR 80 H TYR 80 -2.074 5.769 8.593 626 HA TYR 80 HA TYR 80 -0.946 4.208 6.398 627 HB2 TYR 80 2HB TYR 80 -3.149 3.324 5.665 628 HB3 TYR 80 3HB TYR 80 -2.683 2.677 7.227 629 HD1 TYR 80 HD1 TYR 80 -3.856 3.482 9.317 630 HD2 TYR 80 HD2 TYR 80 -5.185 4.668 5.428 631 HE1 TYR 80 HE1 TYR 80 -6.000 4.198 10.267 632 HE2 TYR 80 HE2 TYR 80 -7.332 5.387 6.384 633 HH TYR 80 HH TYR 80 -8.729 4.883 8.381 634 H ASP 81 H ASP 81 -1.038 5.312 4.525 635 HA ASP 81 HA ASP 81 -2.526 7.871 4.376 636 HB2 ASP 81 2HB ASP 81 0.172 7.105 3.142 637 HB3 ASP 81 3HB ASP 81 -0.653 8.642 2.881 638 H VAL 82 H VAL 82 -4.193 7.663 2.986 639 HA VAL 82 HA VAL 82 -4.300 5.397 1.158 640 HB VAL 82 HB VAL 82 -6.412 7.459 1.936 641 HG11 VAL 82 1HG1 VAL 82 -6.859 6.742 -0.377 642 HG12 VAL 82 2HG1 VAL 82 -8.056 6.039 0.711 643 HG13 VAL 82 3HG1 VAL 82 -6.729 5.048 0.103 644 HG21 VAL 82 3HG2 VAL 82 -6.136 4.504 2.628 645 HG22 VAL 82 1HG2 VAL 82 -7.487 5.541 3.102 646 HG23 VAL 82 2HG2 VAL 82 -5.867 5.855 3.730 647 H LEU 83 H LEU 83 -3.520 5.584 -0.765 648 HA LEU 83 HA LEU 83 -3.435 8.120 -2.270 649 HB2 LEU 83 2HB LEU 83 -1.256 7.097 -1.726 650 HB3 LEU 83 3HB LEU 83 -1.777 5.570 -2.413 651 HG LEU 83 HG LEU 83 -1.837 6.649 -4.688 652 HD11 LEU 83 1HD1 LEU 83 -0.606 9.037 -3.290 653 HD12 LEU 83 2HD1 LEU 83 -2.206 8.966 -4.034 654 HD13 LEU 83 3HD1 LEU 83 -0.766 8.821 -5.038 655 HD21 LEU 83 3HD2 LEU 83 0.596 6.697 -5.003 656 HD22 LEU 83 1HD2 LEU 83 0.114 5.358 -3.963 657 HD23 LEU 83 2HD2 LEU 83 0.833 6.808 -3.255 658 H LYS 84 H LYS 84 -5.084 8.200 -3.737 659 HA LYS 84 HA LYS 84 -5.894 5.741 -5.187 660 HB2 LYS 84 2HB LYS 84 -7.570 7.860 -3.894 661 HB3 LYS 84 3HB LYS 84 -8.103 7.364 -5.494 662 HG2 LYS 84 2HG LYS 84 -8.200 5.019 -4.742 663 HG3 LYS 84 3HG LYS 84 -7.693 5.516 -3.124 664 HD2 LYS 84 2HD LYS 84 -9.742 6.731 -2.768 665 HD3 LYS 84 3HD LYS 84 -10.194 6.596 -4.471 666 HE2 LYS 84 2HE LYS 84 -9.962 4.230 -2.575 667 HE3 LYS 84 3HE LYS 84 -11.476 5.047 -2.975 668 HZ1 LYS 84 3HZ LYS 84 -11.138 4.460 -5.304 669 HZ2 LYS 84 1HZ LYS 84 -11.162 3.078 -4.333 670 HZ3 LYS 84 2HZ LYS 84 -9.696 3.668 -4.922 671 H SER 85 H SER 85 -4.691 5.899 -6.947 672 HA SER 85 HA SER 85 -5.370 7.892 -8.950 673 HB2 SER 85 2HB SER 85 -2.477 7.606 -8.009 674 HB3 SER 85 3HB SER 85 -2.989 8.492 -9.440 675 HG SER 85 HG SER 85 -4.412 9.570 -7.666 676 H THR 86 H THR 86 -4.917 7.180 -11.027 677 HA THR 86 HA THR 86 -3.720 4.477 -11.402 678 HB THR 86 HB THR 86 -5.182 4.328 -13.469 679 HG1 THR 86 HG1 THR 86 -5.652 6.487 -13.840 680 HG21 THR 86 3HG2 THR 86 -6.716 4.740 -10.869 681 HG22 THR 86 1HG2 THR 86 -5.927 3.240 -11.367 682 HG23 THR 86 2HG2 THR 86 -7.302 3.861 -12.283 683 H ASP 87 H ASP 87 -1.606 5.141 -11.790 684 HA ASP 87 HA ASP 87 -0.948 6.771 -14.107 685 HB2 ASP 87 2HB ASP 87 -0.192 7.676 -11.288 686 HB3 ASP 87 3HB ASP 87 0.527 8.328 -12.755 687 HA PRO 88 HA PRO 88 2.134 3.400 -13.568 688 HB2 PRO 88 2HB PRO 88 3.389 3.682 -16.015 689 HB3 PRO 88 3HB PRO 88 1.828 2.856 -15.821 690 HG2 PRO 88 2HG PRO 88 2.354 5.691 -16.697 691 HG3 PRO 88 3HG PRO 88 1.245 4.488 -17.396 692 HD2 PRO 88 2HD PRO 88 0.347 6.432 -15.738 693 HD3 PRO 88 3HD PRO 88 -0.372 4.806 -15.729 694 H GLU 89 H GLU 89 2.800 6.698 -14.556 695 HA GLU 89 HA GLU 89 5.582 6.662 -13.707 696 HB2 GLU 89 2HB GLU 89 5.541 9.074 -14.440 697 HB3 GLU 89 3HB GLU 89 5.108 7.923 -15.698 698 HG2 GLU 89 2HG GLU 89 2.712 8.451 -15.344 699 HG3 GLU 89 3HG GLU 89 3.161 9.629 -14.112 700 H GLU 90 H GLU 90 2.568 8.382 -12.643 701 HA GLU 90 HA GLU 90 3.992 9.802 -10.605 702 HB2 GLU 90 2HB GLU 90 2.003 10.795 -11.738 703 HB3 GLU 90 3HB GLU 90 0.979 9.625 -10.911 704 HG2 GLU 90 2HG GLU 90 1.677 10.519 -8.729 705 HG3 GLU 90 3HG GLU 90 2.724 11.689 -9.532 706 H LEU 91 H LEU 91 1.846 6.927 -10.487 707 HA LEU 91 HA LEU 91 1.647 6.776 -7.655 708 HB2 LEU 91 2HB LEU 91 1.527 4.641 -9.783 709 HB3 LEU 91 3HB LEU 91 1.430 4.210 -8.085 710 HG LEU 91 HG LEU 91 -0.534 6.034 -9.533 711 HD11 LEU 91 1HD1 LEU 91 -0.856 3.154 -8.645 712 HD12 LEU 91 2HD1 LEU 91 -0.664 3.710 -10.309 713 HD13 LEU 91 3HD1 LEU 91 -2.092 4.168 -9.393 714 HD21 LEU 91 3HD2 LEU 91 -1.901 5.837 -7.508 715 HD22 LEU 91 1HD2 LEU 91 -0.345 6.572 -7.136 716 HD23 LEU 91 2HD2 LEU 91 -0.642 4.879 -6.722 717 H THR 92 H THR 92 4.137 5.625 -9.898 718 HA THR 92 HA THR 92 5.805 4.256 -8.096 719 HB THR 92 HB THR 92 6.561 5.717 -10.660 720 HG1 THR 92 HG1 THR 92 5.391 4.140 -11.436 721 HG21 THR 92 3HG2 THR 92 8.581 5.249 -9.326 722 HG22 THR 92 1HG2 THR 92 8.512 4.181 -10.729 723 HG23 THR 92 2HG2 THR 92 8.081 3.565 -9.131 724 H GLN 93 H GLN 93 5.730 7.709 -9.067 725 HA GLN 93 HA GLN 93 8.056 8.413 -7.583 726 HB2 GLN 93 2HB GLN 93 7.718 10.653 -8.161 727 HB3 GLN 93 3HB GLN 93 6.983 9.798 -9.510 728 HG2 GLN 93 2HG GLN 93 4.771 10.252 -8.674 729 HG3 GLN 93 3HG GLN 93 5.398 10.916 -7.173 730 HE21 GLN 93 1HE2 GLN 93 6.342 12.987 -7.199 731 HE22 GLN 93 2HE2 GLN 93 6.066 14.092 -8.501 732 H ARG 94 H ARG 94 4.653 8.072 -6.740 733 HA ARG 94 HA ARG 94 4.804 9.570 -4.280 734 HB2 ARG 94 2HB ARG 94 2.673 7.613 -5.222 735 HB3 ARG 94 3HB ARG 94 2.533 8.678 -3.824 736 HG2 ARG 94 2HG ARG 94 2.673 9.491 -6.742 737 HG3 ARG 94 3HG ARG 94 1.288 9.629 -5.661 738 HD2 ARG 94 2HD ARG 94 2.473 11.318 -4.337 739 HD3 ARG 94 3HD ARG 94 3.911 11.133 -5.350 740 HE ARG 94 HE ARG 94 1.475 11.879 -6.750 741 HH11 ARG 94 1HH1 ARG 94 4.413 13.065 -5.196 742 HH12 ARG 94 2HH1 ARG 94 4.365 14.591 -6.020 743 HH21 ARG 94 1HH2 ARG 94 1.444 13.873 -7.832 744 HH22 ARG 94 2HH2 ARG 94 2.684 15.051 -7.516 745 H VAL 95 H VAL 95 4.928 6.154 -5.189 746 HA VAL 95 HA VAL 95 5.084 4.960 -2.648 747 HB VAL 95 HB VAL 95 6.171 4.094 -5.366 748 HG11 VAL 95 1HG1 VAL 95 6.460 1.795 -4.408 749 HG12 VAL 95 2HG1 VAL 95 6.181 2.465 -2.800 750 HG13 VAL 95 3HG1 VAL 95 7.590 2.970 -3.734 751 HG21 VAL 95 3HG2 VAL 95 4.277 2.501 -5.340 752 HG22 VAL 95 1HG2 VAL 95 3.708 4.165 -5.167 753 HG23 VAL 95 2HG2 VAL 95 3.778 3.106 -3.758 754 H ARG 96 H ARG 96 7.627 6.172 -4.823 755 HA ARG 96 HA ARG 96 9.755 5.311 -3.128 756 HB2 ARG 96 2HB ARG 96 11.283 6.281 -4.705 757 HB3 ARG 96 3HB ARG 96 9.996 5.484 -5.600 758 HG2 ARG 96 2HG ARG 96 8.937 7.716 -5.964 759 HG3 ARG 96 3HG ARG 96 10.321 8.467 -5.168 760 HD2 ARG 96 2HD ARG 96 11.815 7.554 -6.920 761 HD3 ARG 96 3HD ARG 96 10.424 6.797 -7.708 762 HE ARG 96 HE ARG 96 9.931 9.547 -7.399 763 HH11 ARG 96 1HH1 ARG 96 12.020 7.458 -9.323 764 HH12 ARG 96 2HH1 ARG 96 12.113 8.585 -10.636 765 HH21 ARG 96 1HH2 ARG 96 10.067 10.989 -9.145 766 HH22 ARG 96 2HH2 ARG 96 11.013 10.576 -10.537 767 H GLU 97 H GLU 97 8.160 8.490 -3.612 768 HA GLU 97 HA GLU 97 10.054 9.946 -2.024 769 HB2 GLU 97 2HB GLU 97 8.553 11.852 -2.191 770 HB3 GLU 97 3HB GLU 97 8.660 11.068 -3.760 771 HG2 GLU 97 2HG GLU 97 6.469 9.937 -3.263 772 HG3 GLU 97 3HG GLU 97 6.350 10.915 -1.799 773 H PHE 98 H PHE 98 7.069 8.181 -1.370 774 HA PHE 98 HA PHE 98 6.600 8.941 1.297 775 HB2 PHE 98 2HB PHE 98 4.953 7.682 -0.010 776 HB3 PHE 98 3HB PHE 98 6.070 6.342 -0.213 777 HD1 PHE 98 HD1 PHE 98 3.833 8.076 2.168 778 HD2 PHE 98 HD2 PHE 98 6.379 4.680 1.561 779 HE1 PHE 98 HE1 PHE 98 2.915 7.005 4.175 780 HE2 PHE 98 HE2 PHE 98 5.452 3.637 3.570 781 HZ PHE 98 HZ PHE 98 3.728 4.789 4.868 782 H LEU 99 H LEU 99 8.505 6.241 -0.103 783 HA LEU 99 HA LEU 99 9.444 5.254 2.422 784 HB2 LEU 99 2HB LEU 99 10.385 4.713 -0.420 785 HB3 LEU 99 3HB LEU 99 11.011 3.864 0.987 786 HG LEU 99 HG LEU 99 8.116 3.787 0.029 787 HD11 LEU 99 1HD1 LEU 99 8.548 1.461 -0.592 788 HD12 LEU 99 2HD1 LEU 99 10.247 1.639 -0.136 789 HD13 LEU 99 3HD1 LEU 99 9.588 2.567 -1.487 790 HD21 LEU 99 3HD2 LEU 99 8.236 3.549 2.459 791 HD22 LEU 99 1HD2 LEU 99 9.431 2.257 2.299 792 HD23 LEU 99 2HD2 LEU 99 7.782 2.024 1.707 793 H LYS 100 H LYS 100 10.475 7.890 0.457 794 HA LYS 100 HA LYS 100 13.182 8.003 1.540 795 HB2 LYS 100 2HB LYS 100 11.634 9.885 -0.285 796 HB3 LYS 100 3HB LYS 100 13.251 10.256 0.307 797 HG2 LYS 100 2HG LYS 100 12.497 7.882 -1.434 798 HG3 LYS 100 3HG LYS 100 13.304 9.357 -1.982 799 HD2 LYS 100 2HD LYS 100 15.246 8.822 -0.502 800 HD3 LYS 100 3HD LYS 100 14.438 7.339 0.015 801 HE2 LYS 100 2HE LYS 100 14.480 6.543 -2.346 802 HE3 LYS 100 3HE LYS 100 15.370 7.995 -2.802 803 HZ1 LYS 100 3HZ LYS 100 16.804 6.071 -2.459 804 HZ2 LYS 100 1HZ LYS 100 16.295 5.962 -0.854 805 HZ3 LYS 100 2HZ LYS 100 17.164 7.313 -1.372 806 H THR 101 H THR 101 10.000 9.527 2.189 807 HA THR 101 HA THR 101 11.211 11.509 4.001 808 HB THR 101 HB THR 101 9.405 12.235 2.418 809 HG1 THR 101 HG1 THR 101 8.437 13.533 3.912 810 HG21 THR 101 3HG2 THR 101 7.523 10.555 4.127 811 HG22 THR 101 1HG2 THR 101 7.974 10.192 2.455 812 HG23 THR 101 2HG2 THR 101 7.055 11.651 2.827 813 H ALA 102 H ALA 102 9.413 8.518 4.087 814 HA ALA 102 HA ALA 102 9.064 8.642 7.031 815 HB1 ALA 102 3HB ALA 102 7.230 7.048 6.729 816 HB2 ALA 102 1HB ALA 102 7.568 6.952 4.998 817 HB3 ALA 102 2HB ALA 102 6.988 8.464 5.702 818 H GLY 103 H GLY 103 11.486 7.714 5.409 819 HA2 GLY 103 2HA GLY 103 11.811 4.996 5.114 820 HA3 GLY 103 3HA GLY 103 13.111 6.120 5.430 821 H SER 104 H SER 104 12.286 6.805 8.107 822 HA SER 104 HA SER 104 11.983 4.314 9.631 823 HB2 SER 104 2HB SER 104 14.240 6.314 10.140 824 HB3 SER 104 3HB SER 104 13.848 4.944 11.187 825 HG SER 104 HG SER 104 14.133 3.831 8.919 826 H LEU 105 H LEU 105 10.416 6.737 8.890 827 HA LEU 105 HA LEU 105 10.014 8.066 11.496 828 HB2 LEU 105 2HB LEU 105 9.668 9.303 8.723 829 HB3 LEU 105 3HB LEU 105 9.479 10.125 10.265 830 HG LEU 105 HG LEU 105 12.101 9.070 9.109 831 HD11 LEU 105 1HD1 LEU 105 11.201 11.932 9.535 832 HD12 LEU 105 2HD1 LEU 105 11.335 11.101 7.985 833 HD13 LEU 105 3HD1 LEU 105 12.780 11.409 8.941 834 HD21 LEU 105 3HD2 LEU 105 13.203 10.153 11.041 835 HD22 LEU 105 1HD2 LEU 105 12.146 8.830 11.528 836 HD23 LEU 105 2HD2 LEU 105 11.618 10.501 11.742 837 H GLU 106 H GLU 106 8.290 7.003 12.250 838 HA GLU 106 HA GLU 106 5.962 6.180 10.856 839 HB2 GLU 106 2HB GLU 106 6.445 6.792 13.803 840 HB3 GLU 106 3HB GLU 106 4.975 6.051 13.190 841 HG2 GLU 106 2HG GLU 106 6.220 4.106 12.422 842 HG3 GLU 106 3HG GLU 106 7.737 4.848 12.928 843 H HIS 107 H HIS 107 6.956 9.204 12.294 844 HA HIS 107 HA HIS 107 6.268 11.339 12.198 845 HB2 HIS 107 2HB HIS 107 6.157 10.780 9.748 846 HB3 HIS 107 3HB HIS 107 4.444 10.437 9.932 847 HD1 HIS 107 HD1 HIS 107 6.838 13.378 10.362 848 HD2 HIS 107 HD2 HIS 107 2.864 12.642 9.413 849 HE1 HIS 107 HE1 HIS 107 5.878 15.597 9.717 850 HE2 HIS 107 HE2 HIS 107 3.471 15.126 9.134 851 H HIS 108 H HIS 108 4.419 9.121 13.581 852 HA HIS 108 HA HIS 108 2.049 10.844 14.033 853 HB2 HIS 108 2HB HIS 108 0.739 8.899 14.493 854 HB3 HIS 108 3HB HIS 108 1.615 8.569 13.013 855 HD1 HIS 108 HD1 HIS 108 1.525 7.578 16.669 856 HD2 HIS 108 HD2 HIS 108 3.103 6.240 13.074 857 HE1 HIS 108 HE1 HIS 108 2.440 5.296 17.142 858 HE2 HIS 108 HE2 HIS 108 3.528 4.591 14.993 859 H HIS 109 H HIS 109 4.639 11.162 15.327 860 HA HIS 109 HA HIS 109 4.591 10.340 18.033 861 HB2 HIS 109 2HB HIS 109 6.601 11.343 16.897 862 HB3 HIS 109 3HB HIS 109 5.785 12.902 16.868 863 HD1 HIS 109 HD1 HIS 109 7.483 14.100 18.383 864 HD2 HIS 109 HD2 HIS 109 5.890 10.682 20.127 865 HE1 HIS 109 HE1 HIS 109 8.227 14.148 20.778 866 HE2 HIS 109 HE2 HIS 109 7.407 11.979 21.752 867 H HIS 110 H HIS 110 3.518 13.364 16.488 868 HA HIS 110 HA HIS 110 1.780 14.168 18.647 869 HB2 HIS 110 2HB HIS 110 2.684 15.899 17.184 870 HB3 HIS 110 3HB HIS 110 2.059 15.096 15.750 871 HD1 HIS 110 HD1 HIS 110 0.847 17.026 18.789 872 HD2 HIS 110 HD2 HIS 110 -0.513 15.849 15.038 873 HE1 HIS 110 HE1 HIS 110 -1.346 18.200 18.458 874 HE2 HIS 110 HE2 HIS 110 -2.057 17.601 16.123 875 H HIS 111 H HIS 111 -0.422 13.821 18.812 876 HA HIS 111 HA HIS 111 -1.572 11.552 17.473 877 HB2 HIS 111 2HB HIS 111 -2.882 13.554 19.379 878 HB3 HIS 111 3HB HIS 111 -3.603 12.041 18.848 879 HD1 HIS 111 HD1 HIS 111 -3.175 10.061 20.298 880 HD2 HIS 111 HD2 HIS 111 -0.463 13.124 21.023 881 HE1 HIS 111 HE1 HIS 111 -1.850 9.341 22.302 882 HE2 HIS 111 HE2 HIS 111 -0.113 11.124 22.604 883 H HIS 112 H HIS 112 -1.720 12.008 15.296 884 HA HIS 112 HA HIS 112 -3.195 14.371 14.364 885 HB2 HIS 112 2HB HIS 112 -2.389 13.913 12.157 886 HB3 HIS 112 3HB HIS 112 -1.034 13.656 13.232 887 HD1 HIS 112 HD1 HIS 112 -0.634 10.960 13.825 888 HD2 HIS 112 HD2 HIS 112 -2.721 11.904 10.354 889 HE1 HIS 112 HE1 HIS 112 -0.568 8.894 12.401 890 HE2 HIS 112 HE2 HIS 112 -1.982 9.443 10.400 Start of MODEL 6 1 H1 MET 1 1H MET 1 1.691 5.428 14.301 2 H2 MET 1 2H MET 1 1.504 4.923 15.903 3 H3 MET 1 3H MET 1 0.997 3.932 14.637 4 HA MET 1 HA MET 1 3.782 4.765 15.026 5 HB2 MET 1 2HB MET 1 3.080 3.460 16.992 6 HB3 MET 1 3HB MET 1 2.444 2.185 15.957 7 HG2 MET 1 2HG MET 1 4.714 1.735 17.021 8 HG3 MET 1 3HG MET 1 4.628 1.514 15.273 9 HE1 MET 1 3HE MET 1 6.653 5.168 17.307 10 HE2 MET 1 1HE MET 1 6.020 3.791 18.208 11 HE3 MET 1 2HE MET 1 4.913 4.898 17.394 12 H GLY 2 H GLY 2 5.145 4.086 13.420 13 HA2 GLY 2 2HA GLY 2 5.760 3.446 11.299 14 HA3 GLY 2 3HA GLY 2 4.491 2.228 11.341 15 H LYS 3 H LYS 3 4.746 3.333 8.930 16 HA LYS 3 HA LYS 3 2.037 4.275 8.708 17 HB2 LYS 3 2HB LYS 3 3.188 6.458 8.877 18 HB3 LYS 3 3HB LYS 3 4.222 6.042 7.510 19 HG2 LYS 3 2HG LYS 3 2.338 6.031 5.997 20 HG3 LYS 3 3HG LYS 3 1.191 6.189 7.326 21 HD2 LYS 3 2HD LYS 3 3.258 8.313 6.663 22 HD3 LYS 3 3HD LYS 3 1.639 8.287 5.964 23 HE2 LYS 3 2HE LYS 3 0.692 8.378 8.284 24 HE3 LYS 3 3HE LYS 3 2.337 8.567 8.904 25 HZ1 LYS 3 3HZ LYS 3 2.551 10.600 7.616 26 HZ2 LYS 3 1HZ LYS 3 1.207 10.700 8.635 27 HZ3 LYS 3 2HZ LYS 3 0.997 10.401 6.983 28 H VAL 4 H VAL 4 1.053 3.458 6.949 29 HA VAL 4 HA VAL 4 2.681 2.107 4.872 30 HB VAL 4 HB VAL 4 -0.315 1.765 5.419 31 HG11 VAL 4 1HG1 VAL 4 0.347 1.172 3.130 32 HG12 VAL 4 2HG1 VAL 4 -0.098 -0.273 4.036 33 HG13 VAL 4 3HG1 VAL 4 1.604 0.095 3.748 34 HG21 VAL 4 3HG2 VAL 4 1.949 -0.040 6.355 35 HG22 VAL 4 1HG2 VAL 4 0.222 -0.364 6.533 36 HG23 VAL 4 2HG2 VAL 4 0.958 0.996 7.385 37 H LEU 5 H LEU 5 2.444 2.723 2.690 38 HA LEU 5 HA LEU 5 0.515 4.849 2.015 39 HB2 LEU 5 2HB LEU 5 2.904 5.144 1.311 40 HB3 LEU 5 3HB LEU 5 2.787 3.673 0.356 41 HG LEU 5 HG LEU 5 1.014 4.767 -1.055 42 HD11 LEU 5 1HD1 LEU 5 0.138 6.376 0.549 43 HD12 LEU 5 2HD1 LEU 5 0.654 7.187 -0.926 44 HD13 LEU 5 3HD1 LEU 5 1.660 7.272 0.523 45 HD21 LEU 5 3HD2 LEU 5 3.352 4.763 -1.795 46 HD22 LEU 5 1HD2 LEU 5 3.637 6.288 -0.952 47 HD23 LEU 5 2HD2 LEU 5 2.520 6.225 -2.319 48 H LEU 6 H LEU 6 -1.427 4.029 1.469 49 HA LEU 6 HA LEU 6 -1.721 1.302 0.467 50 HB2 LEU 6 2HB LEU 6 -3.158 2.192 2.320 51 HB3 LEU 6 3HB LEU 6 -3.797 3.406 1.228 52 HG LEU 6 HG LEU 6 -4.809 1.572 -0.164 53 HD11 LEU 6 1HD1 LEU 6 -3.303 -0.262 0.375 54 HD12 LEU 6 2HD1 LEU 6 -4.967 -0.707 0.738 55 HD13 LEU 6 3HD1 LEU 6 -3.867 -0.274 2.049 56 HD21 LEU 6 3HD2 LEU 6 -5.663 1.585 2.755 57 HD22 LEU 6 1HD2 LEU 6 -6.652 1.051 1.392 58 HD23 LEU 6 2HD2 LEU 6 -6.166 2.739 1.519 59 H VAL 7 H VAL 7 -1.125 1.277 -1.677 60 HA VAL 7 HA VAL 7 -1.765 3.489 -3.474 61 HB VAL 7 HB VAL 7 -0.159 0.930 -3.970 62 HG11 VAL 7 1HG1 VAL 7 0.612 1.998 -6.064 63 HG12 VAL 7 2HG1 VAL 7 -0.468 3.364 -5.774 64 HG13 VAL 7 3HG1 VAL 7 -1.137 1.761 -6.077 65 HG21 VAL 7 3HG2 VAL 7 0.922 2.442 -2.362 66 HG22 VAL 7 1HG2 VAL 7 0.783 3.784 -3.502 67 HG23 VAL 7 2HG2 VAL 7 1.818 2.403 -3.881 68 H ILE 8 H ILE 8 -3.721 3.483 -4.220 69 HA ILE 8 HA ILE 8 -5.115 1.047 -5.145 70 HB ILE 8 HB ILE 8 -6.284 3.711 -4.192 71 HG12 ILE 8 2HG1 ILE 8 -6.279 1.032 -2.733 72 HG13 ILE 8 3HG1 ILE 8 -5.264 2.409 -2.322 73 HG21 ILE 8 1HG2 ILE 8 -7.742 1.138 -4.892 74 HG22 ILE 8 2HG2 ILE 8 -7.727 2.614 -5.859 75 HG23 ILE 8 3HG2 ILE 8 -8.484 2.613 -4.266 76 HD11 ILE 8 3HD1 ILE 8 -7.278 3.710 -1.795 77 HD12 ILE 8 1HD1 ILE 8 -7.126 2.251 -0.819 78 HD13 ILE 8 2HD1 ILE 8 -8.273 2.296 -2.157 79 H SER 9 H SER 9 -5.877 1.066 -7.190 80 HA SER 9 HA SER 9 -6.295 3.503 -8.732 81 HB2 SER 9 2HB SER 9 -4.704 1.191 -9.954 82 HB3 SER 9 3HB SER 9 -5.052 2.757 -10.686 83 HG SER 9 HG SER 9 -3.797 3.508 -8.679 84 H THR 10 H THR 10 -7.829 3.103 -10.426 85 HA THR 10 HA THR 10 -9.703 1.020 -10.166 86 HB THR 10 HB THR 10 -9.135 2.709 -12.652 87 HG1 THR 10 HG1 THR 10 -9.936 3.489 -10.209 88 HG21 THR 10 3HG2 THR 10 -11.738 1.423 -11.720 89 HG22 THR 10 1HG2 THR 10 -10.739 0.856 -13.065 90 HG23 THR 10 2HG2 THR 10 -11.531 2.429 -13.154 91 H ASP 11 H ASP 11 -7.158 1.596 -12.633 92 HA ASP 11 HA ASP 11 -7.209 -1.089 -13.653 93 HB2 ASP 11 2HB ASP 11 -5.162 1.123 -14.109 94 HB3 ASP 11 3HB ASP 11 -5.359 -0.330 -15.078 95 H THR 12 H THR 12 -6.609 -2.578 -12.147 96 HA THR 12 HA THR 12 -4.475 -2.478 -10.307 97 HB THR 12 HB THR 12 -5.751 -4.925 -11.621 98 HG1 THR 12 HG1 THR 12 -6.934 -3.124 -10.198 99 HG21 THR 12 3HG2 THR 12 -3.683 -5.521 -10.378 100 HG22 THR 12 1HG2 THR 12 -5.124 -6.133 -9.560 101 HG23 THR 12 2HG2 THR 12 -4.306 -4.693 -8.949 102 H ASN 13 H ASN 13 -4.525 -3.002 -13.724 103 HA ASN 13 HA ASN 13 -2.064 -4.254 -14.213 104 HB2 ASN 13 2HB ASN 13 -3.457 -2.145 -15.936 105 HB3 ASN 13 3HB ASN 13 -2.231 -3.282 -16.488 106 HD21 ASN 13 1HD2 ASN 13 -2.805 -5.534 -16.649 107 HD22 ASN 13 2HD2 ASN 13 -4.463 -6.022 -16.749 108 H ILE 14 H ILE 14 -2.887 -0.846 -13.621 109 HA ILE 14 HA ILE 14 -0.285 0.238 -14.100 110 HB ILE 14 HB ILE 14 -2.611 1.340 -12.449 111 HG12 ILE 14 2HG1 ILE 14 -3.212 1.014 -14.826 112 HG13 ILE 14 3HG1 ILE 14 -3.147 2.722 -14.430 113 HG21 ILE 14 1HG2 ILE 14 -1.555 3.552 -12.666 114 HG22 ILE 14 2HG2 ILE 14 -0.165 2.817 -13.468 115 HG23 ILE 14 3HG2 ILE 14 -0.518 2.426 -11.785 116 HD11 ILE 14 3HD1 ILE 14 -2.234 2.307 -16.622 117 HD12 ILE 14 1HD1 ILE 14 -1.063 1.162 -15.969 118 HD13 ILE 14 2HD1 ILE 14 -0.953 2.876 -15.553 119 H ILE 15 H ILE 15 -2.052 -0.830 -11.223 120 HA ILE 15 HA ILE 15 -0.237 -0.257 -9.168 121 HB ILE 15 HB ILE 15 -2.336 -2.461 -9.434 122 HG12 ILE 15 2HG1 ILE 15 -2.410 0.209 -7.952 123 HG13 ILE 15 3HG1 ILE 15 -3.214 -0.143 -9.478 124 HG21 ILE 15 1HG2 ILE 15 -0.881 -1.679 -6.887 125 HG22 ILE 15 2HG2 ILE 15 -0.737 -3.217 -7.739 126 HG23 ILE 15 3HG2 ILE 15 -2.266 -2.770 -6.986 127 HD11 ILE 15 3HD1 ILE 15 -4.809 -0.191 -7.708 128 HD12 ILE 15 1HD1 ILE 15 -3.846 -1.342 -6.786 129 HD13 ILE 15 2HD1 ILE 15 -4.598 -1.831 -8.307 130 H SER 16 H SER 16 -0.484 -3.092 -11.284 131 HA SER 16 HA SER 16 1.400 -4.768 -9.994 132 HB2 SER 16 2HB SER 16 0.447 -4.755 -12.892 133 HB3 SER 16 3HB SER 16 1.301 -6.080 -12.109 134 HG SER 16 HG SER 16 -0.964 -5.198 -10.788 135 H SER 17 H SER 17 1.653 -2.469 -12.695 136 HA SER 17 HA SER 17 4.342 -2.985 -13.436 137 HB2 SER 17 2HB SER 17 2.704 -0.434 -13.803 138 HB3 SER 17 3HB SER 17 4.183 -0.845 -14.678 139 HG SER 17 HG SER 17 1.896 -2.520 -14.699 140 H VAL 18 H VAL 18 2.899 -0.487 -11.370 141 HA VAL 18 HA VAL 18 5.257 0.914 -10.676 142 HB VAL 18 HB VAL 18 2.572 0.729 -9.231 143 HG11 VAL 18 1HG1 VAL 18 3.168 2.820 -8.086 144 HG12 VAL 18 2HG1 VAL 18 4.766 2.796 -8.833 145 HG13 VAL 18 3HG1 VAL 18 4.312 1.541 -7.681 146 HG21 VAL 18 3HG2 VAL 18 2.024 2.825 -10.373 147 HG22 VAL 18 1HG2 VAL 18 2.437 1.585 -11.556 148 HG23 VAL 18 2HG2 VAL 18 3.605 2.848 -11.158 149 H GLN 19 H GLN 19 3.597 -1.827 -9.219 150 HA GLN 19 HA GLN 19 4.923 -2.134 -6.790 151 HB2 GLN 19 2HB GLN 19 2.952 -3.471 -7.451 152 HB3 GLN 19 3HB GLN 19 3.886 -4.264 -8.714 153 HG2 GLN 19 2HG GLN 19 5.385 -5.164 -6.850 154 HG3 GLN 19 3HG GLN 19 4.167 -4.584 -5.716 155 HE21 GLN 19 1HE2 GLN 19 1.925 -5.295 -7.565 156 HE22 GLN 19 2HE2 GLN 19 1.803 -7.012 -7.490 157 H GLU 20 H GLU 20 5.709 -3.526 -9.972 158 HA GLU 20 HA GLU 20 8.081 -4.893 -9.209 159 HB2 GLU 20 2HB GLU 20 7.113 -4.021 -11.966 160 HB3 GLU 20 3HB GLU 20 8.408 -5.181 -11.673 161 HG2 GLU 20 2HG GLU 20 6.837 -6.745 -10.635 162 HG3 GLU 20 3HG GLU 20 5.536 -5.561 -10.757 163 H ARG 21 H ARG 21 7.486 -1.623 -10.385 164 HA ARG 21 HA ARG 21 10.198 -0.868 -10.922 165 HB2 ARG 21 2HB ARG 21 7.722 0.762 -10.221 166 HB3 ARG 21 3HB ARG 21 9.268 1.501 -10.622 167 HG2 ARG 21 2HG ARG 21 9.177 0.580 -12.873 168 HG3 ARG 21 3HG ARG 21 7.690 -0.295 -12.492 169 HD2 ARG 21 2HD ARG 21 6.454 1.754 -12.251 170 HD3 ARG 21 3HD ARG 21 7.930 2.726 -12.312 171 HE ARG 21 HE ARG 21 7.604 1.195 -14.692 172 HH11 ARG 21 1HH1 ARG 21 6.412 4.101 -13.092 173 HH12 ARG 21 2HH1 ARG 21 5.988 4.890 -14.579 174 HH21 ARG 21 1HH2 ARG 21 7.087 2.269 -16.643 175 HH22 ARG 21 2HH2 ARG 21 6.369 3.853 -16.584 176 H ALA 22 H ALA 22 8.075 -0.542 -8.101 177 HA ALA 22 HA ALA 22 9.864 0.897 -6.439 178 HB1 ALA 22 3HB ALA 22 8.224 0.406 -4.669 179 HB2 ALA 22 1HB ALA 22 7.427 -0.771 -5.723 180 HB3 ALA 22 2HB ALA 22 7.428 0.941 -6.149 181 H LYS 23 H LYS 23 9.132 -2.566 -6.815 182 HA LYS 23 HA LYS 23 10.811 -3.483 -4.688 183 HB2 LYS 23 2HB LYS 23 9.659 -4.987 -7.074 184 HB3 LYS 23 3HB LYS 23 10.522 -5.753 -5.741 185 HG2 LYS 23 2HG LYS 23 8.764 -4.794 -4.179 186 HG3 LYS 23 3HG LYS 23 7.870 -4.292 -5.613 187 HD2 LYS 23 2HD LYS 23 6.949 -6.389 -4.803 188 HD3 LYS 23 3HD LYS 23 7.760 -6.685 -6.342 189 HE2 LYS 23 2HE LYS 23 9.642 -7.708 -5.242 190 HE3 LYS 23 3HE LYS 23 9.083 -7.184 -3.652 191 HZ1 LYS 23 3HZ LYS 23 7.671 -9.128 -5.401 192 HZ2 LYS 23 1HZ LYS 23 7.197 -8.649 -3.849 193 HZ3 LYS 23 2HZ LYS 23 8.623 -9.528 -4.064 194 H HIS 24 H HIS 24 11.428 -2.612 -8.022 195 HA HIS 24 HA HIS 24 13.943 -3.878 -8.337 196 HB2 HIS 24 2HB HIS 24 12.683 -2.950 -10.239 197 HB3 HIS 24 3HB HIS 24 12.857 -1.322 -9.595 198 HD1 HIS 24 HD1 HIS 24 14.814 -0.029 -10.447 199 HD2 HIS 24 HD2 HIS 24 15.304 -4.122 -10.994 200 HE1 HIS 24 HE1 HIS 24 16.935 -0.287 -11.759 201 HE2 HIS 24 HE2 HIS 24 17.138 -2.757 -12.189 202 H ASN 25 H ASN 25 12.968 -0.811 -6.897 203 HA ASN 25 HA ASN 25 15.740 0.114 -6.587 204 HB2 ASN 25 2HB ASN 25 13.103 1.494 -5.909 205 HB3 ASN 25 3HB ASN 25 14.696 2.246 -5.846 206 HD21 ASN 25 1HD2 ASN 25 12.351 3.005 -7.422 207 HD22 ASN 25 2HD2 ASN 25 12.838 2.970 -9.078 208 H TYR 26 H TYR 26 13.066 -1.074 -4.665 209 HA TYR 26 HA TYR 26 14.555 -0.667 -2.137 210 HB2 TYR 26 2HB TYR 26 11.551 -0.931 -2.654 211 HB3 TYR 26 3HB TYR 26 12.281 -0.817 -1.050 212 HD1 TYR 26 HD1 TYR 26 13.596 1.265 -0.447 213 HD2 TYR 26 HD2 TYR 26 11.141 1.101 -3.940 214 HE1 TYR 26 HE1 TYR 26 13.646 3.705 -0.594 215 HE2 TYR 26 HE2 TYR 26 11.190 3.559 -4.076 216 HH TYR 26 HH TYR 26 13.383 5.436 -2.276 217 HA PRO 27 HA PRO 27 15.453 -4.893 -1.840 218 HB2 PRO 27 2HB PRO 27 15.201 -5.469 0.862 219 HB3 PRO 27 3HB PRO 27 16.518 -4.500 0.173 220 HG2 PRO 27 2HG PRO 27 13.970 -3.546 1.463 221 HG3 PRO 27 3HG PRO 27 15.640 -2.995 1.737 222 HD2 PRO 27 2HD PRO 27 14.001 -1.591 0.157 223 HD3 PRO 27 3HD PRO 27 15.716 -1.790 -0.281 224 H GLY 28 H GLY 28 12.247 -4.034 -0.842 225 HA2 GLY 28 2HA GLY 28 10.488 -5.424 -1.870 226 HA3 GLY 28 3HA GLY 28 11.312 -6.840 -1.230 227 H ARG 29 H ARG 29 11.921 -5.426 1.337 228 HA ARG 29 HA ARG 29 9.621 -6.291 2.787 229 HB2 ARG 29 2HB ARG 29 12.017 -6.364 3.630 230 HB3 ARG 29 3HB ARG 29 11.949 -4.621 3.843 231 HG2 ARG 29 2HG ARG 29 10.089 -4.932 5.493 232 HG3 ARG 29 3HG ARG 29 10.250 -6.675 5.305 233 HD2 ARG 29 2HD ARG 29 12.600 -6.499 6.165 234 HD3 ARG 29 3HD ARG 29 12.325 -4.771 6.444 235 HE ARG 29 HE ARG 29 10.396 -6.560 7.693 236 HH11 ARG 29 1HH1 ARG 29 13.397 -4.779 8.201 237 HH12 ARG 29 2HH1 ARG 29 13.261 -4.824 9.930 238 HH21 ARG 29 1HH2 ARG 29 10.248 -6.618 9.948 239 HH22 ARG 29 2HH2 ARG 29 11.473 -5.868 10.923 240 H TYR 30 H TYR 30 10.181 -3.371 1.183 241 HA TYR 30 HA TYR 30 8.431 -1.755 2.916 242 HB2 TYR 30 2HB TYR 30 10.160 -1.048 0.500 243 HB3 TYR 30 3HB TYR 30 9.095 0.104 1.303 244 HD1 TYR 30 HD1 TYR 30 9.605 0.931 3.561 245 HD2 TYR 30 HD2 TYR 30 12.249 -1.809 1.625 246 HE1 TYR 30 HE1 TYR 30 11.310 1.388 5.248 247 HE2 TYR 30 HE2 TYR 30 13.964 -1.331 3.316 248 HH TYR 30 HH TYR 30 14.571 0.409 4.892 249 H ILE 31 H ILE 31 8.292 -3.646 0.052 250 HA ILE 31 HA ILE 31 5.663 -2.502 -0.712 251 HB ILE 31 HB ILE 31 7.671 -4.106 -2.377 252 HG12 ILE 31 2HG1 ILE 31 7.425 -2.087 -3.957 253 HG13 ILE 31 3HG1 ILE 31 6.575 -1.265 -2.660 254 HG21 ILE 31 1HG2 ILE 31 4.817 -3.357 -3.144 255 HG22 ILE 31 2HG2 ILE 31 5.449 -4.987 -2.909 256 HG23 ILE 31 3HG2 ILE 31 6.024 -4.007 -4.255 257 HD11 ILE 31 3HD1 ILE 31 8.893 -0.556 -2.821 258 HD12 ILE 31 1HD1 ILE 31 9.442 -2.217 -2.592 259 HD13 ILE 31 2HD1 ILE 31 8.607 -1.372 -1.285 260 H ARG 32 H ARG 32 3.904 -3.740 -0.311 261 HA ARG 32 HA ARG 32 4.027 -6.647 -0.557 262 HB2 ARG 32 2HB ARG 32 4.353 -6.250 1.862 263 HB3 ARG 32 3HB ARG 32 2.912 -5.236 1.912 264 HG2 ARG 32 2HG ARG 32 1.484 -7.121 1.439 265 HG3 ARG 32 3HG ARG 32 2.870 -8.171 1.145 266 HD2 ARG 32 2HD ARG 32 3.484 -8.119 3.483 267 HD3 ARG 32 3HD ARG 32 2.269 -6.873 3.825 268 HE ARG 32 HE ARG 32 0.774 -8.857 2.779 269 HH11 ARG 32 1HH1 ARG 32 3.140 -8.889 5.405 270 HH12 ARG 32 2HH1 ARG 32 2.335 -10.183 6.239 271 HH21 ARG 32 1HH2 ARG 32 -0.274 -10.463 3.911 272 HH22 ARG 32 2HH2 ARG 32 0.400 -11.072 5.391 273 H THR 33 H THR 33 1.906 -7.572 -1.045 274 HA THR 33 HA THR 33 -0.052 -5.588 -2.076 275 HB THR 33 HB THR 33 -0.813 -7.427 -3.618 276 HG1 THR 33 HG1 THR 33 -0.108 -9.259 -2.506 277 HG21 THR 33 3HG2 THR 33 1.104 -7.345 -5.153 278 HG22 THR 33 1HG2 THR 33 2.154 -6.806 -3.847 279 HG23 THR 33 2HG2 THR 33 0.844 -5.762 -4.412 280 H ALA 34 H ALA 34 -2.138 -5.700 -1.435 281 HA ALA 34 HA ALA 34 -3.044 -7.875 0.353 282 HB1 ALA 34 3HB ALA 34 -3.414 -5.606 1.197 283 HB2 ALA 34 1HB ALA 34 -4.952 -6.403 0.865 284 HB3 ALA 34 2HB ALA 34 -4.324 -5.184 -0.255 285 H THR 35 H THR 35 -4.261 -9.417 -0.492 286 HA THR 35 HA THR 35 -5.981 -8.939 -2.850 287 HB THR 35 HB THR 35 -3.961 -10.103 -3.671 288 HG1 THR 35 HG1 THR 35 -6.412 -10.901 -4.036 289 HG21 THR 35 3HG2 THR 35 -3.243 -11.197 -1.567 290 HG22 THR 35 1HG2 THR 35 -3.356 -12.360 -2.892 291 HG23 THR 35 2HG2 THR 35 -4.623 -12.294 -1.667 292 H SER 36 H SER 36 -5.972 -9.478 0.276 293 HA SER 36 HA SER 36 -8.460 -10.892 0.451 294 HB2 SER 36 2HB SER 36 -6.961 -12.859 0.253 295 HB3 SER 36 3HB SER 36 -5.928 -12.240 1.540 296 HG SER 36 HG SER 36 -8.315 -13.596 1.676 297 H SER 37 H SER 37 -9.453 -10.451 2.434 298 HA SER 37 HA SER 37 -8.474 -8.405 4.130 299 HB2 SER 37 2HB SER 37 -10.437 -8.968 5.552 300 HB3 SER 37 3HB SER 37 -10.883 -8.902 3.844 301 HG SER 37 HG SER 37 -11.506 -10.821 5.332 302 H GLN 38 H GLN 38 -8.122 -11.870 4.125 303 HA GLN 38 HA GLN 38 -7.151 -12.205 6.797 304 HB2 GLN 38 2HB GLN 38 -6.750 -14.001 4.365 305 HB3 GLN 38 3HB GLN 38 -6.507 -14.464 6.046 306 HG2 GLN 38 2HG GLN 38 -9.150 -13.729 4.751 307 HG3 GLN 38 3HG GLN 38 -8.618 -15.349 5.192 308 HE21 GLN 38 1HE2 GLN 38 -9.858 -12.322 6.355 309 HE22 GLN 38 2HE2 GLN 38 -10.234 -12.856 7.953 310 H ASP 39 H ASP 39 -5.585 -11.713 3.588 311 HA ASP 39 HA ASP 39 -2.899 -11.842 4.421 312 HB2 ASP 39 2HB ASP 39 -3.762 -11.708 1.985 313 HB3 ASP 39 3HB ASP 39 -3.955 -9.984 2.226 314 H ILE 40 H ILE 40 -5.187 -9.157 4.214 315 HA ILE 40 HA ILE 40 -3.634 -7.002 5.036 316 HB ILE 40 HB ILE 40 -6.620 -7.552 5.271 317 HG12 ILE 40 2HG1 ILE 40 -5.008 -5.730 3.419 318 HG13 ILE 40 3HG1 ILE 40 -5.669 -7.299 2.985 319 HG21 ILE 40 1HG2 ILE 40 -5.255 -4.923 5.937 320 HG22 ILE 40 2HG2 ILE 40 -6.110 -5.970 7.070 321 HG23 ILE 40 3HG2 ILE 40 -6.999 -5.160 5.779 322 HD11 ILE 40 3HD1 ILE 40 -7.022 -5.568 2.058 323 HD12 ILE 40 1HD1 ILE 40 -7.226 -4.806 3.635 324 HD13 ILE 40 2HD1 ILE 40 -7.939 -6.389 3.319 325 H ARG 41 H ARG 41 -5.587 -9.258 7.027 326 HA ARG 41 HA ARG 41 -5.161 -8.356 9.579 327 HB2 ARG 41 2HB ARG 41 -5.163 -11.219 8.544 328 HB3 ARG 41 3HB ARG 41 -5.064 -10.858 10.259 329 HG2 ARG 41 2HG ARG 41 -7.349 -9.862 8.543 330 HG3 ARG 41 3HG ARG 41 -7.362 -11.455 9.301 331 HD2 ARG 41 2HD ARG 41 -8.581 -9.835 10.672 332 HD3 ARG 41 3HD ARG 41 -7.153 -10.417 11.526 333 HE ARG 41 HE ARG 41 -7.221 -7.813 10.118 334 HH11 ARG 41 1HH1 ARG 41 -6.537 -9.648 13.048 335 HH12 ARG 41 2HH1 ARG 41 -5.858 -8.276 13.871 336 HH21 ARG 41 1HH2 ARG 41 -6.299 -6.060 11.193 337 HH22 ARG 41 2HH2 ARG 41 -5.724 -6.254 12.826 338 H ASP 42 H ASP 42 -2.974 -10.370 7.658 339 HA ASP 42 HA ASP 42 -0.914 -10.565 9.624 340 HB2 ASP 42 2HB ASP 42 -1.361 -12.275 7.843 341 HB3 ASP 42 3HB ASP 42 -0.806 -11.132 6.626 342 H ILE 43 H ILE 43 -1.563 -8.289 6.942 343 HA ILE 43 HA ILE 43 0.988 -7.060 6.780 344 HB ILE 43 HB ILE 43 -1.749 -5.766 6.251 345 HG12 ILE 43 2HG1 ILE 43 0.165 -7.173 4.336 346 HG13 ILE 43 3HG1 ILE 43 -1.433 -7.720 4.804 347 HG21 ILE 43 1HG2 ILE 43 -0.555 -4.086 4.915 348 HG22 ILE 43 2HG2 ILE 43 0.992 -4.832 5.311 349 HG23 ILE 43 3HG2 ILE 43 0.032 -4.074 6.581 350 HD11 ILE 43 3HD1 ILE 43 -2.396 -5.752 3.651 351 HD12 ILE 43 1HD1 ILE 43 -1.502 -6.838 2.584 352 HD13 ILE 43 2HD1 ILE 43 -0.770 -5.323 3.106 353 H ILE 44 H ILE 44 -1.932 -6.104 8.540 354 HA ILE 44 HA ILE 44 -0.786 -3.763 9.712 355 HB ILE 44 HB ILE 44 -3.453 -5.175 10.219 356 HG12 ILE 44 2HG1 ILE 44 -2.748 -2.754 8.480 357 HG13 ILE 44 3HG1 ILE 44 -3.130 -4.362 7.880 358 HG21 ILE 44 1HG2 ILE 44 -2.603 -2.376 11.064 359 HG22 ILE 44 2HG2 ILE 44 -2.868 -3.744 12.149 360 HG23 ILE 44 3HG2 ILE 44 -4.220 -3.058 11.245 361 HD11 ILE 44 3HD1 ILE 44 -5.405 -4.133 8.760 362 HD12 ILE 44 1HD1 ILE 44 -4.993 -2.873 7.597 363 HD13 ILE 44 2HD1 ILE 44 -5.013 -2.503 9.322 364 H LYS 45 H LYS 45 -1.373 -7.100 10.836 365 HA LYS 45 HA LYS 45 -0.646 -6.739 13.536 366 HB2 LYS 45 2HB LYS 45 -0.446 -9.158 11.727 367 HB3 LYS 45 3HB LYS 45 0.161 -9.209 13.379 368 HG2 LYS 45 2HG LYS 45 -2.144 -8.559 14.175 369 HG3 LYS 45 3HG LYS 45 -2.702 -8.720 12.507 370 HD2 LYS 45 2HD LYS 45 -3.211 -10.779 13.710 371 HD3 LYS 45 3HD LYS 45 -1.957 -11.109 12.515 372 HE2 LYS 45 2HE LYS 45 -0.245 -10.936 14.338 373 HE3 LYS 45 3HE LYS 45 -1.551 -10.731 15.506 374 HZ1 LYS 45 3HZ LYS 45 -1.050 -13.120 13.804 375 HZ2 LYS 45 1HZ LYS 45 -2.399 -12.926 14.806 376 HZ3 LYS 45 2HZ LYS 45 -0.857 -13.010 15.475 377 H SER 46 H SER 46 1.308 -7.344 10.621 378 HA SER 46 HA SER 46 3.795 -7.688 11.954 379 HB2 SER 46 2HB SER 46 3.364 -8.655 9.737 380 HB3 SER 46 3HB SER 46 3.133 -7.051 9.042 381 HG SER 46 HG SER 46 5.217 -7.839 8.618 382 H MET 47 H MET 47 2.113 -4.939 10.493 383 HA MET 47 HA MET 47 4.232 -3.095 10.410 384 HB2 MET 47 2HB MET 47 1.222 -2.806 10.448 385 HB3 MET 47 3HB MET 47 2.235 -1.368 10.524 386 HG2 MET 47 2HG MET 47 2.252 -3.434 8.314 387 HG3 MET 47 3HG MET 47 1.563 -1.810 8.236 388 HE1 MET 47 3HE MET 47 4.815 0.436 8.469 389 HE2 MET 47 1HE MET 47 3.876 -0.108 9.860 390 HE3 MET 47 2HE MET 47 3.055 0.434 8.397 391 H LYS 48 H LYS 48 2.450 -4.217 13.126 392 HA LYS 48 HA LYS 48 3.089 -1.957 14.862 393 HB2 LYS 48 2HB LYS 48 1.988 -4.697 15.609 394 HB3 LYS 48 3HB LYS 48 1.950 -3.237 16.596 395 HG2 LYS 48 2HG LYS 48 0.426 -2.177 14.960 396 HG3 LYS 48 3HG LYS 48 0.457 -3.653 13.987 397 HD2 LYS 48 2HD LYS 48 -0.627 -3.390 16.822 398 HD3 LYS 48 3HD LYS 48 -1.591 -3.541 15.352 399 HE2 LYS 48 2HE LYS 48 -0.661 -5.782 14.975 400 HE3 LYS 48 3HE LYS 48 0.318 -5.640 16.430 401 HZ1 LYS 48 3HZ LYS 48 -1.680 -6.915 16.847 402 HZ2 LYS 48 1HZ LYS 48 -2.649 -5.636 16.319 403 HZ3 LYS 48 2HZ LYS 48 -1.721 -5.469 17.724 404 H ASP 49 H ASP 49 4.261 -5.197 14.121 405 HA ASP 49 HA ASP 49 6.376 -5.275 16.082 406 HB2 ASP 49 2HB ASP 49 5.981 -6.906 13.519 407 HB3 ASP 49 3HB ASP 49 7.211 -7.236 14.734 408 H ASN 50 H ASN 50 5.991 -3.989 12.882 409 HA ASN 50 HA ASN 50 8.826 -3.761 12.284 410 HB2 ASN 50 2HB ASN 50 6.283 -3.061 10.780 411 HB3 ASN 50 3HB ASN 50 7.809 -2.358 10.261 412 HD21 ASN 50 1HD2 ASN 50 5.846 -5.143 10.143 413 HD22 ASN 50 2HD2 ASN 50 6.945 -6.167 9.302 414 H GLY 51 H GLY 51 6.232 -1.276 12.300 415 HA2 GLY 51 2HA GLY 51 6.213 0.871 13.145 416 HA3 GLY 51 3HA GLY 51 7.781 0.598 13.889 417 H LYS 52 H LYS 52 8.547 -0.317 10.942 418 HA LYS 52 HA LYS 52 9.456 2.302 10.012 419 HB2 LYS 52 2HB LYS 52 10.714 0.827 8.270 420 HB3 LYS 52 3HB LYS 52 11.237 0.774 9.940 421 HG2 LYS 52 2HG LYS 52 11.337 -1.448 9.070 422 HG3 LYS 52 3HG LYS 52 10.003 -1.384 10.221 423 HD2 LYS 52 2HD LYS 52 9.286 -2.708 8.349 424 HD3 LYS 52 3HD LYS 52 8.420 -1.177 8.255 425 HE2 LYS 52 2HE LYS 52 10.106 -0.414 6.552 426 HE3 LYS 52 3HE LYS 52 10.814 -2.033 6.593 427 HZ1 LYS 52 3HZ LYS 52 8.036 -1.342 5.789 428 HZ2 LYS 52 1HZ LYS 52 8.636 -2.916 5.899 429 HZ3 LYS 52 2HZ LYS 52 9.277 -1.845 4.763 430 HA PRO 53 HA PRO 53 6.360 2.952 6.916 431 HB2 PRO 53 2HB PRO 53 7.671 3.759 4.626 432 HB3 PRO 53 3HB PRO 53 7.552 4.771 6.083 433 HG2 PRO 53 2HG PRO 53 9.823 3.000 5.212 434 HG3 PRO 53 3HG PRO 53 9.871 4.681 5.799 435 HD2 PRO 53 2HD PRO 53 10.446 2.628 7.444 436 HD3 PRO 53 3HD PRO 53 9.553 4.050 8.037 437 H LEU 54 H LEU 54 5.095 1.818 5.505 438 HA LEU 54 HA LEU 54 6.281 -0.303 3.820 439 HB2 LEU 54 2HB LEU 54 4.912 -1.010 5.973 440 HB3 LEU 54 3HB LEU 54 3.502 -0.519 5.049 441 HG LEU 54 HG LEU 54 4.172 -2.181 3.260 442 HD11 LEU 54 1HD1 LEU 54 6.567 -2.277 3.758 443 HD12 LEU 54 2HD1 LEU 54 5.837 -3.883 3.778 444 HD13 LEU 54 3HD1 LEU 54 6.225 -3.071 5.298 445 HD21 LEU 54 3HD2 LEU 54 3.426 -4.182 4.454 446 HD22 LEU 54 1HD2 LEU 54 2.459 -2.781 4.912 447 HD23 LEU 54 2HD2 LEU 54 3.705 -3.387 6.006 448 H VAL 55 H VAL 55 4.589 -0.939 2.070 449 HA VAL 55 HA VAL 55 2.889 1.234 1.114 450 HB VAL 55 HB VAL 55 5.064 0.056 -0.713 451 HG11 VAL 55 1HG1 VAL 55 2.973 0.573 -1.892 452 HG12 VAL 55 2HG1 VAL 55 4.253 1.686 -2.376 453 HG13 VAL 55 3HG1 VAL 55 2.997 2.221 -1.255 454 HG21 VAL 55 3HG2 VAL 55 6.096 1.660 0.849 455 HG22 VAL 55 1HG2 VAL 55 4.915 2.890 0.393 456 HG23 VAL 55 2HG2 VAL 55 6.087 2.301 -0.793 457 H VAL 56 H VAL 56 1.041 0.038 1.080 458 HA VAL 56 HA VAL 56 1.118 -2.749 0.134 459 HB VAL 56 HB VAL 56 -1.009 -1.275 1.743 460 HG11 VAL 56 1HG1 VAL 56 -2.184 -2.763 0.178 461 HG12 VAL 56 2HG1 VAL 56 -2.272 -3.422 1.811 462 HG13 VAL 56 3HG1 VAL 56 -1.147 -4.116 0.639 463 HG21 VAL 56 3HG2 VAL 56 0.747 -3.673 2.405 464 HG22 VAL 56 1HG2 VAL 56 -0.463 -2.952 3.471 465 HG23 VAL 56 2HG2 VAL 56 0.969 -2.030 3.011 466 H PHE 57 H PHE 57 0.867 -2.938 -1.936 467 HA PHE 57 HA PHE 57 -0.778 -1.232 -3.607 468 HB2 PHE 57 2HB PHE 57 0.900 -3.733 -4.114 469 HB3 PHE 57 3HB PHE 57 -0.042 -2.952 -5.376 470 HD1 PHE 57 HD2 PHE 57 2.894 -2.544 -3.120 471 HD2 PHE 57 HD1 PHE 57 0.712 -0.907 -6.417 472 HE1 PHE 57 HE2 PHE 57 4.748 -0.993 -3.590 473 HE2 PHE 57 HE1 PHE 57 2.567 0.630 -6.870 474 HZ PHE 57 HZ PHE 57 4.587 0.601 -5.459 475 H VAL 58 H VAL 58 -2.921 -1.591 -3.888 476 HA VAL 58 HA VAL 58 -4.227 -3.979 -2.878 477 HB VAL 58 HB VAL 58 -5.375 -1.567 -4.378 478 HG11 VAL 58 1HG1 VAL 58 -7.593 -2.287 -3.552 479 HG12 VAL 58 2HG1 VAL 58 -6.868 -3.736 -2.849 480 HG13 VAL 58 3HG1 VAL 58 -6.869 -3.509 -4.600 481 HG21 VAL 58 3HG2 VAL 58 -5.337 -2.148 -1.389 482 HG22 VAL 58 1HG2 VAL 58 -6.134 -0.772 -2.161 483 HG23 VAL 58 2HG2 VAL 58 -4.377 -0.925 -2.221 484 H ASN 59 H ASN 59 -3.216 -5.580 -4.224 485 HA ASN 59 HA ASN 59 -3.904 -5.533 -7.104 486 HB2 ASN 59 2HB ASN 59 -1.431 -5.473 -6.344 487 HB3 ASN 59 3HB ASN 59 -1.658 -7.118 -5.762 488 HD21 ASN 59 1HD2 ASN 59 -2.009 -8.793 -7.322 489 HD22 ASN 59 2HD2 ASN 59 -1.585 -8.571 -8.982 490 H GLY 60 H GLY 60 -5.632 -6.793 -7.465 491 HA2 GLY 60 2HA GLY 60 -6.905 -8.708 -7.664 492 HA3 GLY 60 3HA GLY 60 -5.741 -9.571 -6.667 493 H ALA 61 H ALA 61 -7.214 -6.573 -5.610 494 HA ALA 61 HA ALA 61 -8.928 -8.028 -3.667 495 HB1 ALA 61 3HB ALA 61 -7.257 -5.564 -3.057 496 HB2 ALA 61 1HB ALA 61 -6.861 -7.209 -2.561 497 HB3 ALA 61 2HB ALA 61 -8.314 -6.430 -1.932 498 H SER 62 H SER 62 -10.130 -5.856 -2.474 499 HA SER 62 HA SER 62 -11.578 -4.435 -4.590 500 HB2 SER 62 2HB SER 62 -13.767 -5.371 -3.804 501 HB3 SER 62 3HB SER 62 -12.717 -6.622 -4.473 502 HG SER 62 HG SER 62 -12.054 -6.883 -2.135 503 H GLN 63 H GLN 63 -13.305 -3.001 -3.591 504 HA GLN 63 HA GLN 63 -12.073 -1.239 -1.779 505 HB2 GLN 63 2HB GLN 63 -13.717 -0.573 -3.538 506 HB3 GLN 63 3HB GLN 63 -15.001 -1.349 -2.623 507 HG2 GLN 63 2HG GLN 63 -15.099 1.053 -2.310 508 HG3 GLN 63 3HG GLN 63 -14.674 0.280 -0.787 509 HE21 GLN 63 1HE2 GLN 63 -12.571 0.563 0.025 510 HE22 GLN 63 2HE2 GLN 63 -11.544 1.835 -0.528 511 H ASN 64 H ASN 64 -14.350 -3.879 -1.203 512 HA ASN 64 HA ASN 64 -15.285 -3.175 1.364 513 HB2 ASN 64 2HB ASN 64 -14.984 -5.881 0.012 514 HB3 ASN 64 3HB ASN 64 -15.648 -5.723 1.637 515 HD21 ASN 64 1HD2 ASN 64 -17.630 -6.565 0.965 516 HD22 ASN 64 2HD2 ASN 64 -18.744 -5.666 -0.004 517 H ASP 65 H ASP 65 -12.391 -4.995 0.397 518 HA ASP 65 HA ASP 65 -11.624 -5.501 3.184 519 HB2 ASP 65 2HB ASP 65 -9.620 -6.664 2.291 520 HB3 ASP 65 3HB ASP 65 -11.116 -7.306 1.641 521 H VAL 66 H VAL 66 -10.836 -3.288 0.575 522 HA VAL 66 HA VAL 66 -8.571 -1.999 1.651 523 HB VAL 66 HB VAL 66 -10.834 -0.936 -0.102 524 HG11 VAL 66 1HG1 VAL 66 -8.326 0.584 0.715 525 HG12 VAL 66 2HG1 VAL 66 -9.998 1.009 1.110 526 HG13 VAL 66 3HG1 VAL 66 -9.443 1.075 -0.564 527 HG21 VAL 66 3HG2 VAL 66 -7.939 -1.608 -0.747 528 HG22 VAL 66 1HG2 VAL 66 -9.143 -1.014 -1.896 529 HG23 VAL 66 2HG2 VAL 66 -9.345 -2.597 -1.145 530 H ASN 67 H ASN 67 -12.049 -1.403 2.163 531 HA ASN 67 HA ASN 67 -11.879 0.709 3.994 532 HB2 ASN 67 2HB ASN 67 -13.995 -1.455 3.639 533 HB3 ASN 67 3HB ASN 67 -14.164 -0.164 4.829 534 HD21 ASN 67 1HD2 ASN 67 -15.967 0.681 3.812 535 HD22 ASN 67 2HD2 ASN 67 -15.908 1.506 2.302 536 H GLU 68 H GLU 68 -11.897 -2.816 4.521 537 HA GLU 68 HA GLU 68 -11.776 -2.708 7.351 538 HB2 GLU 68 2HB GLU 68 -10.966 -4.957 5.462 539 HB3 GLU 68 3HB GLU 68 -11.128 -5.117 7.211 540 HG2 GLU 68 2HG GLU 68 -13.326 -4.528 5.214 541 HG3 GLU 68 3HG GLU 68 -13.118 -5.989 6.174 542 H PHE 69 H PHE 69 -9.254 -2.608 4.881 543 HA PHE 69 HA PHE 69 -6.999 -2.966 6.550 544 HB2 PHE 69 2HB PHE 69 -6.775 -2.967 4.082 545 HB3 PHE 69 3HB PHE 69 -7.261 -1.278 4.006 546 HD1 PHE 69 HD1 PHE 69 -4.513 -3.597 4.881 547 HD2 PHE 69 HD2 PHE 69 -5.671 0.516 4.616 548 HE1 PHE 69 HE1 PHE 69 -2.161 -2.908 5.113 549 HE2 PHE 69 HE2 PHE 69 -3.319 1.193 4.849 550 HZ PHE 69 HZ PHE 69 -1.569 -0.511 5.099 551 H GLN 70 H GLN 70 -8.607 -0.003 5.412 552 HA GLN 70 HA GLN 70 -7.221 1.897 6.880 553 HB2 GLN 70 2HB GLN 70 -10.151 1.982 6.033 554 HB3 GLN 70 3HB GLN 70 -9.160 3.381 6.439 555 HG2 GLN 70 2HG GLN 70 -7.756 3.029 4.491 556 HG3 GLN 70 3HG GLN 70 -8.568 1.510 4.122 557 HE21 GLN 70 1HE2 GLN 70 -8.282 3.710 2.327 558 HE22 GLN 70 2HE2 GLN 70 -9.862 4.289 1.945 559 H ASN 71 H ASN 71 -10.144 0.108 7.789 560 HA ASN 71 HA ASN 71 -10.739 1.366 10.247 561 HB2 ASN 71 2HB ASN 71 -11.384 -1.465 9.294 562 HB3 ASN 71 3HB ASN 71 -12.089 -0.722 10.728 563 HD21 ASN 71 1HD2 ASN 71 -13.305 -1.718 8.203 564 HD22 ASN 71 2HD2 ASN 71 -14.233 -0.394 7.598 565 H GLU 72 H GLU 72 -9.203 -1.844 9.712 566 HA GLU 72 HA GLU 72 -8.495 -2.322 12.349 567 HB2 GLU 72 2HB GLU 72 -7.239 -3.394 9.799 568 HB3 GLU 72 3HB GLU 72 -6.929 -4.049 11.405 569 HG2 GLU 72 2HG GLU 72 -9.278 -4.684 11.650 570 HG3 GLU 72 3HG GLU 72 -9.676 -3.936 10.100 571 H ALA 73 H ALA 73 -6.585 -0.717 9.779 572 HA ALA 73 HA ALA 73 -4.173 -0.459 11.176 573 HB1 ALA 73 3HB ALA 73 -5.331 1.431 9.099 574 HB2 ALA 73 1HB ALA 73 -4.387 -0.022 8.765 575 HB3 ALA 73 2HB ALA 73 -3.636 1.347 9.594 576 H LYS 74 H LYS 74 -6.910 1.874 10.956 577 HA LYS 74 HA LYS 74 -5.744 3.789 12.669 578 HB2 LYS 74 2HB LYS 74 -7.796 5.002 12.633 579 HB3 LYS 74 3HB LYS 74 -7.622 4.261 11.049 580 HG2 LYS 74 2HG LYS 74 -9.261 2.517 11.693 581 HG3 LYS 74 3HG LYS 74 -9.426 3.270 13.280 582 HD2 LYS 74 2HD LYS 74 -11.304 3.955 11.905 583 HD3 LYS 74 3HD LYS 74 -10.264 5.355 12.166 584 HE2 LYS 74 2HE LYS 74 -9.276 4.985 9.897 585 HE3 LYS 74 3HE LYS 74 -10.404 3.650 9.654 586 HZ1 LYS 74 3HZ LYS 74 -11.203 5.691 8.633 587 HZ2 LYS 74 1HZ LYS 74 -11.169 6.487 10.120 588 HZ3 LYS 74 2HZ LYS 74 -12.240 5.208 9.871 589 H LYS 75 H LYS 75 -7.662 0.910 13.470 590 HA LYS 75 HA LYS 75 -8.148 1.815 16.205 591 HB2 LYS 75 2HB LYS 75 -9.447 -0.159 16.552 592 HB3 LYS 75 3HB LYS 75 -9.836 0.431 14.941 593 HG2 LYS 75 2HG LYS 75 -8.305 -1.317 13.994 594 HG3 LYS 75 3HG LYS 75 -8.067 -1.934 15.631 595 HD2 LYS 75 2HD LYS 75 -9.750 -3.285 14.478 596 HD3 LYS 75 3HD LYS 75 -10.506 -2.400 15.803 597 HE2 LYS 75 2HE LYS 75 -11.354 -0.725 14.178 598 HE3 LYS 75 3HE LYS 75 -10.608 -1.635 12.863 599 HZ1 LYS 75 3HZ LYS 75 -12.823 -2.535 14.623 600 HZ2 LYS 75 1HZ LYS 75 -12.040 -3.532 13.507 601 HZ3 LYS 75 2HZ LYS 75 -12.900 -2.188 12.974 602 H GLU 76 H GLU 76 -5.838 -0.278 14.555 603 HA GLU 76 HA GLU 76 -4.594 -1.244 17.003 604 HB2 GLU 76 2HB GLU 76 -3.600 -1.326 14.117 605 HB3 GLU 76 3HB GLU 76 -2.847 -2.156 15.473 606 HG2 GLU 76 2HG GLU 76 -5.570 -2.722 14.282 607 HG3 GLU 76 3HG GLU 76 -4.131 -3.731 14.165 608 H GLY 77 H GLY 77 -4.632 1.703 15.481 609 HA2 GLY 77 2HA GLY 77 -3.419 3.619 15.723 610 HA3 GLY 77 3HA GLY 77 -2.383 2.780 16.866 611 H VAL 78 H VAL 78 -2.608 1.200 13.832 612 HA VAL 78 HA VAL 78 0.055 1.975 12.998 613 HB VAL 78 HB VAL 78 -2.068 0.341 11.509 614 HG11 VAL 78 1HG1 VAL 78 -0.413 1.289 9.945 615 HG12 VAL 78 2HG1 VAL 78 -0.224 -0.460 10.074 616 HG13 VAL 78 3HG1 VAL 78 0.905 0.612 10.906 617 HG21 VAL 78 3HG2 VAL 78 -1.384 -0.724 13.622 618 HG22 VAL 78 1HG2 VAL 78 0.309 -0.629 13.133 619 HG23 VAL 78 2HG2 VAL 78 -0.817 -1.649 12.231 620 H SER 79 H SER 79 0.487 3.768 11.774 621 HA SER 79 HA SER 79 -1.696 5.467 10.874 622 HB2 SER 79 2HB SER 79 1.296 5.926 10.564 623 HB3 SER 79 3HB SER 79 0.018 7.137 10.493 624 HG SER 79 HG SER 79 -0.285 6.965 12.652 625 H TYR 80 H TYR 80 -1.761 6.306 8.625 626 HA TYR 80 HA TYR 80 -0.424 4.955 6.488 627 HB2 TYR 80 2HB TYR 80 -2.343 3.751 5.514 628 HB3 TYR 80 3HB TYR 80 -2.039 3.151 7.140 629 HD1 TYR 80 HD1 TYR 80 -3.570 3.977 9.060 630 HD2 TYR 80 HD2 TYR 80 -4.520 4.605 4.936 631 HE1 TYR 80 HE1 TYR 80 -5.913 4.403 9.662 632 HE2 TYR 80 HE2 TYR 80 -6.859 5.026 5.547 633 HH TYR 80 HH TYR 80 -7.865 5.590 8.717 634 H ASP 81 H ASP 81 -0.955 5.821 4.437 635 HA ASP 81 HA ASP 81 -2.972 7.984 4.313 636 HB2 ASP 81 2HB ASP 81 -0.105 8.052 3.318 637 HB3 ASP 81 3HB ASP 81 -1.332 8.953 2.436 638 H VAL 82 H VAL 82 -4.416 7.721 2.789 639 HA VAL 82 HA VAL 82 -4.297 5.412 1.014 640 HB VAL 82 HB VAL 82 -6.580 7.394 1.513 641 HG11 VAL 82 1HG1 VAL 82 -8.049 5.718 0.461 642 HG12 VAL 82 2HG1 VAL 82 -6.658 4.682 0.132 643 HG13 VAL 82 3HG1 VAL 82 -6.798 6.250 -0.666 644 HG21 VAL 82 3HG2 VAL 82 -5.990 6.156 3.568 645 HG22 VAL 82 1HG2 VAL 82 -6.162 4.622 2.710 646 HG23 VAL 82 2HG2 VAL 82 -7.570 5.660 2.963 647 H LEU 83 H LEU 83 -3.443 5.664 -0.918 648 HA LEU 83 HA LEU 83 -3.544 8.241 -2.379 649 HB2 LEU 83 2HB LEU 83 -1.268 7.397 -1.925 650 HB3 LEU 83 3HB LEU 83 -1.673 5.843 -2.632 651 HG LEU 83 HG LEU 83 -1.951 6.978 -4.866 652 HD11 LEU 83 1HD1 LEU 83 -1.071 9.228 -5.228 653 HD12 LEU 83 2HD1 LEU 83 -0.824 9.430 -3.492 654 HD13 LEU 83 3HD1 LEU 83 -2.458 9.248 -4.138 655 HD21 LEU 83 3HD2 LEU 83 0.449 7.232 -5.326 656 HD22 LEU 83 1HD2 LEU 83 0.133 5.819 -4.319 657 HD23 LEU 83 2HD2 LEU 83 0.789 7.291 -3.595 658 H LYS 84 H LYS 84 -5.155 8.251 -3.857 659 HA LYS 84 HA LYS 84 -5.730 5.791 -5.420 660 HB2 LYS 84 2HB LYS 84 -7.701 7.965 -4.555 661 HB3 LYS 84 3HB LYS 84 -8.074 6.690 -5.714 662 HG2 LYS 84 2HG LYS 84 -7.497 5.010 -3.883 663 HG3 LYS 84 3HG LYS 84 -7.435 6.363 -2.761 664 HD2 LYS 84 2HD LYS 84 -9.918 5.799 -4.417 665 HD3 LYS 84 3HD LYS 84 -9.617 4.942 -2.906 666 HE2 LYS 84 2HE LYS 84 -11.092 6.787 -2.450 667 HE3 LYS 84 3HE LYS 84 -9.528 7.160 -1.733 668 HZ1 LYS 84 3HZ LYS 84 -10.544 8.222 -4.311 669 HZ2 LYS 84 1HZ LYS 84 -9.065 8.619 -3.599 670 HZ3 LYS 84 2HZ LYS 84 -10.508 9.066 -2.851 671 H SER 85 H SER 85 -4.491 6.144 -7.118 672 HA SER 85 HA SER 85 -5.058 8.390 -8.929 673 HB2 SER 85 2HB SER 85 -2.227 7.722 -7.986 674 HB3 SER 85 3HB SER 85 -2.613 8.848 -9.285 675 HG SER 85 HG SER 85 -4.031 9.510 -7.121 676 H THR 86 H THR 86 -5.058 7.731 -11.030 677 HA THR 86 HA THR 86 -4.252 4.945 -11.668 678 HB THR 86 HB THR 86 -5.908 5.222 -13.606 679 HG1 THR 86 HG1 THR 86 -6.136 7.451 -13.685 680 HG21 THR 86 3HG2 THR 86 -7.942 4.910 -12.229 681 HG22 THR 86 1HG2 THR 86 -7.061 5.466 -10.806 682 HG23 THR 86 2HG2 THR 86 -6.584 3.965 -11.611 683 H ASP 87 H ASP 87 -2.064 5.477 -12.146 684 HA ASP 87 HA ASP 87 -1.370 6.482 -14.665 685 HB2 ASP 87 2HB ASP 87 -2.120 8.670 -13.618 686 HB3 ASP 87 3HB ASP 87 -0.854 8.489 -12.415 687 HA PRO 88 HA PRO 88 1.815 3.756 -13.098 688 HB2 PRO 88 2HB PRO 88 3.582 3.818 -15.219 689 HB3 PRO 88 3HB PRO 88 2.015 2.982 -15.277 690 HG2 PRO 88 2HG PRO 88 2.697 5.742 -16.272 691 HG3 PRO 88 3HG PRO 88 1.825 4.433 -17.109 692 HD2 PRO 88 2HD PRO 88 0.474 6.430 -15.941 693 HD3 PRO 88 3HD PRO 88 -0.139 4.759 -15.859 694 H GLU 89 H GLU 89 2.802 6.997 -14.160 695 HA GLU 89 HA GLU 89 5.453 6.701 -12.889 696 HB2 GLU 89 2HB GLU 89 6.091 8.756 -14.006 697 HB3 GLU 89 3HB GLU 89 5.373 7.655 -15.172 698 HG2 GLU 89 2HG GLU 89 3.231 8.952 -14.982 699 HG3 GLU 89 3HG GLU 89 4.082 10.113 -13.965 700 H GLU 90 H GLU 90 2.327 8.134 -12.410 701 HA GLU 90 HA GLU 90 2.944 10.090 -10.455 702 HB2 GLU 90 2HB GLU 90 0.746 9.854 -11.675 703 HB3 GLU 90 3HB GLU 90 0.411 8.407 -10.732 704 HG2 GLU 90 2HG GLU 90 -0.811 10.249 -9.785 705 HG3 GLU 90 3HG GLU 90 0.463 9.776 -8.661 706 H LEU 91 H LEU 91 1.775 6.756 -10.213 707 HA LEU 91 HA LEU 91 1.759 6.599 -7.373 708 HB2 LEU 91 2HB LEU 91 1.942 4.347 -9.395 709 HB3 LEU 91 3HB LEU 91 1.580 4.135 -7.690 710 HG LEU 91 HG LEU 91 -0.185 5.631 -9.673 711 HD11 LEU 91 1HD1 LEU 91 -0.064 3.205 -10.115 712 HD12 LEU 91 2HD1 LEU 91 -1.660 3.697 -9.560 713 HD13 LEU 91 3HD1 LEU 91 -0.558 2.876 -8.451 714 HD21 LEU 91 3HD2 LEU 91 -0.434 6.496 -7.384 715 HD22 LEU 91 1HD2 LEU 91 -0.717 4.860 -6.780 716 HD23 LEU 91 2HD2 LEU 91 -1.871 5.611 -7.884 717 H THR 92 H THR 92 4.229 5.718 -9.799 718 HA THR 92 HA THR 92 6.006 4.325 -8.105 719 HB THR 92 HB THR 92 6.605 5.828 -10.694 720 HG1 THR 92 HG1 THR 92 5.045 3.901 -10.517 721 HG21 THR 92 3HG2 THR 92 8.708 5.343 -9.455 722 HG22 THR 92 1HG2 THR 92 8.578 4.353 -10.913 723 HG23 THR 92 2HG2 THR 92 8.243 3.645 -9.332 724 H GLN 93 H GLN 93 5.860 7.794 -9.032 725 HA GLN 93 HA GLN 93 8.260 8.470 -7.625 726 HB2 GLN 93 2HB GLN 93 7.830 10.769 -8.147 727 HB3 GLN 93 3HB GLN 93 7.401 9.815 -9.558 728 HG2 GLN 93 2HG GLN 93 5.007 10.034 -8.949 729 HG3 GLN 93 3HG GLN 93 5.463 11.036 -7.573 730 HE21 GLN 93 1HE2 GLN 93 6.899 11.175 -10.849 731 HE22 GLN 93 2HE2 GLN 93 6.336 12.771 -11.198 732 H ARG 94 H ARG 94 4.821 8.341 -6.756 733 HA ARG 94 HA ARG 94 5.104 9.727 -4.258 734 HB2 ARG 94 2HB ARG 94 2.899 7.840 -5.176 735 HB3 ARG 94 3HB ARG 94 2.829 8.846 -3.732 736 HG2 ARG 94 2HG ARG 94 2.954 9.815 -6.601 737 HG3 ARG 94 3HG ARG 94 1.555 9.874 -5.531 738 HD2 ARG 94 2HD ARG 94 2.588 11.550 -4.146 739 HD3 ARG 94 3HD ARG 94 4.152 11.343 -4.948 740 HE ARG 94 HE ARG 94 1.970 12.161 -6.664 741 HH11 ARG 94 1HH1 ARG 94 4.658 13.310 -4.689 742 HH12 ARG 94 2HH1 ARG 94 4.743 14.834 -5.518 743 HH21 ARG 94 1HH2 ARG 94 2.162 14.080 -7.778 744 HH22 ARG 94 2HH2 ARG 94 3.322 15.268 -7.279 745 H VAL 95 H VAL 95 5.330 6.306 -5.185 746 HA VAL 95 HA VAL 95 5.382 5.190 -2.566 747 HB VAL 95 HB VAL 95 6.471 4.119 -5.216 748 HG11 VAL 95 1HG1 VAL 95 6.627 1.883 -4.114 749 HG12 VAL 95 2HG1 VAL 95 6.301 2.645 -2.557 750 HG13 VAL 95 3HG1 VAL 95 7.770 3.050 -3.444 751 HG21 VAL 95 3HG2 VAL 95 3.989 3.341 -3.637 752 HG22 VAL 95 1HG2 VAL 95 4.506 2.633 -5.172 753 HG23 VAL 95 2HG2 VAL 95 4.011 4.324 -5.100 754 H ARG 96 H ARG 96 7.990 6.092 -4.863 755 HA ARG 96 HA ARG 96 10.102 5.344 -3.139 756 HB2 ARG 96 2HB ARG 96 11.622 6.545 -4.650 757 HB3 ARG 96 3HB ARG 96 10.497 5.530 -5.544 758 HG2 ARG 96 2HG ARG 96 9.145 7.526 -6.086 759 HG3 ARG 96 3HG ARG 96 10.297 8.535 -5.212 760 HD2 ARG 96 2HD ARG 96 11.007 6.830 -7.624 761 HD3 ARG 96 3HD ARG 96 10.590 8.544 -7.703 762 HE ARG 96 HE ARG 96 12.630 8.412 -5.884 763 HH11 ARG 96 1HH1 ARG 96 12.276 7.502 -9.263 764 HH12 ARG 96 2HH1 ARG 96 13.950 7.767 -9.636 765 HH21 ARG 96 1HH2 ARG 96 14.796 8.795 -6.381 766 HH22 ARG 96 2HH2 ARG 96 15.391 8.508 -7.982 767 H GLU 97 H GLU 97 8.473 8.515 -3.627 768 HA GLU 97 HA GLU 97 10.335 9.978 -2.012 769 HB2 GLU 97 2HB GLU 97 8.913 11.884 -2.263 770 HB3 GLU 97 3HB GLU 97 8.872 11.017 -3.790 771 HG2 GLU 97 2HG GLU 97 6.670 10.034 -3.123 772 HG3 GLU 97 3HG GLU 97 6.712 11.019 -1.662 773 H PHE 98 H PHE 98 7.324 8.245 -1.343 774 HA PHE 98 HA PHE 98 6.860 9.073 1.309 775 HB2 PHE 98 2HB PHE 98 5.208 7.808 0.009 776 HB3 PHE 98 3HB PHE 98 6.291 6.431 -0.113 777 HD1 PHE 98 HD1 PHE 98 4.116 8.363 2.196 778 HD2 PHE 98 HD2 PHE 98 6.440 4.807 1.688 779 HE1 PHE 98 HE1 PHE 98 3.132 7.412 4.240 780 HE2 PHE 98 HE2 PHE 98 5.453 3.873 3.733 781 HZ PHE 98 HZ PHE 98 3.802 5.172 5.007 782 H LEU 99 H LEU 99 8.797 6.434 -0.046 783 HA LEU 99 HA LEU 99 9.717 5.467 2.518 784 HB2 LEU 99 2HB LEU 99 10.584 4.786 -0.314 785 HB3 LEU 99 3HB LEU 99 11.084 3.909 1.126 786 HG LEU 99 HG LEU 99 8.200 4.143 0.159 787 HD11 LEU 99 1HD1 LEU 99 10.087 1.781 -0.087 788 HD12 LEU 99 2HD1 LEU 99 9.502 2.799 -1.405 789 HD13 LEU 99 3HD1 LEU 99 8.371 1.790 -0.508 790 HD21 LEU 99 3HD2 LEU 99 8.310 3.873 2.580 791 HD22 LEU 99 1HD2 LEU 99 9.374 2.473 2.409 792 HD23 LEU 99 2HD2 LEU 99 7.706 2.395 1.835 793 H LYS 100 H LYS 100 10.709 8.017 0.472 794 HA LYS 100 HA LYS 100 13.398 8.238 1.584 795 HB2 LYS 100 2HB LYS 100 11.781 10.106 -0.194 796 HB3 LYS 100 3HB LYS 100 13.419 10.451 0.364 797 HG2 LYS 100 2HG LYS 100 14.288 8.508 -0.842 798 HG3 LYS 100 3HG LYS 100 12.652 8.053 -1.331 799 HD2 LYS 100 2HD LYS 100 13.825 9.195 -3.175 800 HD3 LYS 100 3HD LYS 100 12.438 10.142 -2.632 801 HE2 LYS 100 2HE LYS 100 13.999 11.556 -1.273 802 HE3 LYS 100 3HE LYS 100 15.354 10.643 -1.945 803 HZ1 LYS 100 3HZ LYS 100 14.663 11.378 -4.162 804 HZ2 LYS 100 1HZ LYS 100 15.032 12.686 -3.155 805 HZ3 LYS 100 2HZ LYS 100 13.424 12.301 -3.482 806 H THR 101 H THR 101 10.158 9.565 2.221 807 HA THR 101 HA THR 101 11.231 11.703 3.919 808 HB THR 101 HB THR 101 8.766 12.328 4.155 809 HG1 THR 101 HG1 THR 101 8.094 10.820 1.927 810 HG21 THR 101 3HG2 THR 101 8.549 13.240 1.864 811 HG22 THR 101 1HG2 THR 101 9.857 12.190 1.319 812 HG23 THR 101 2HG2 THR 101 10.181 13.469 2.491 813 H ALA 102 H ALA 102 8.878 9.025 4.228 814 HA ALA 102 HA ALA 102 8.983 8.973 7.110 815 HB1 ALA 102 3HB ALA 102 7.799 6.971 5.147 816 HB2 ALA 102 1HB ALA 102 6.942 8.307 5.917 817 HB3 ALA 102 2HB ALA 102 7.544 6.968 6.896 818 H GLY 103 H GLY 103 10.880 7.633 4.554 819 HA2 GLY 103 2HA GLY 103 12.262 5.765 6.411 820 HA3 GLY 103 3HA GLY 103 12.226 5.609 4.659 821 H SER 104 H SER 104 12.730 8.671 6.357 822 HA SER 104 HA SER 104 15.480 8.865 5.328 823 HB2 SER 104 2HB SER 104 15.364 11.246 6.133 824 HB3 SER 104 3HB SER 104 14.081 10.847 4.994 825 HG SER 104 HG SER 104 12.692 10.564 6.807 826 H LEU 105 H LEU 105 14.236 7.354 7.863 827 HA LEU 105 HA LEU 105 15.792 8.213 10.107 828 HB2 LEU 105 2HB LEU 105 14.414 5.568 9.493 829 HB3 LEU 105 3HB LEU 105 15.141 5.954 11.044 830 HG LEU 105 HG LEU 105 12.730 7.333 9.799 831 HD11 LEU 105 1HD1 LEU 105 11.478 6.367 11.683 832 HD12 LEU 105 2HD1 LEU 105 12.934 5.534 12.236 833 HD13 LEU 105 3HD1 LEU 105 12.211 5.114 10.682 834 HD21 LEU 105 3HD2 LEU 105 12.568 8.603 11.921 835 HD22 LEU 105 1HD2 LEU 105 14.032 8.988 11.017 836 HD23 LEU 105 2HD2 LEU 105 14.122 7.935 12.430 837 H GLU 106 H GLU 106 16.927 5.744 11.026 838 HA GLU 106 HA GLU 106 19.562 6.046 10.262 839 HB2 GLU 106 2HB GLU 106 18.227 3.634 11.534 840 HB3 GLU 106 3HB GLU 106 19.971 3.863 11.446 841 HG2 GLU 106 2HG GLU 106 18.011 5.669 12.901 842 HG3 GLU 106 3HG GLU 106 19.068 4.476 13.654 843 H HIS 107 H HIS 107 19.797 6.089 8.095 844 HA HIS 107 HA HIS 107 20.264 3.503 6.762 845 HB2 HIS 107 2HB HIS 107 18.891 5.920 5.462 846 HB3 HIS 107 3HB HIS 107 19.452 4.500 4.592 847 HD1 HIS 107 HD1 HIS 107 16.545 5.837 6.374 848 HD2 HIS 107 HD2 HIS 107 17.941 2.080 5.267 849 HE1 HIS 107 HE1 HIS 107 14.576 4.290 6.594 850 HE2 HIS 107 HE2 HIS 107 15.479 2.012 6.046 851 H HIS 108 H HIS 108 22.177 3.559 5.540 852 HA HIS 108 HA HIS 108 24.151 5.353 6.474 853 HB2 HIS 108 2HB HIS 108 24.550 2.967 5.846 854 HB3 HIS 108 3HB HIS 108 24.351 3.393 4.153 855 HD1 HIS 108 HD1 HIS 108 26.695 3.875 7.067 856 HD2 HIS 108 HD2 HIS 108 26.629 4.434 2.946 857 HE1 HIS 108 HE1 HIS 108 29.067 4.382 6.415 858 HE2 HIS 108 HE2 HIS 108 28.999 4.752 3.931 859 H HIS 109 H HIS 109 22.274 5.307 3.486 860 HA HIS 109 HA HIS 109 23.214 8.066 2.912 861 HB2 HIS 109 2HB HIS 109 22.355 5.912 0.923 862 HB3 HIS 109 3HB HIS 109 22.398 7.614 0.496 863 HD1 HIS 109 HD1 HIS 109 24.078 6.159 -1.298 864 HD2 HIS 109 HD2 HIS 109 25.532 7.151 2.467 865 HE1 HIS 109 HE1 HIS 109 26.579 6.090 -1.495 866 HE2 HIS 109 HE2 HIS 109 27.419 6.871 0.738 867 H HIS 110 H HIS 110 21.496 8.435 4.648 868 HA HIS 110 HA HIS 110 18.732 8.324 3.643 869 HB2 HIS 110 2HB HIS 110 18.023 9.024 5.855 870 HB3 HIS 110 3HB HIS 110 19.211 7.745 6.043 871 HD1 HIS 110 HD1 HIS 110 21.658 8.562 6.845 872 HD2 HIS 110 HD2 HIS 110 18.587 11.336 7.260 873 HE1 HIS 110 HE1 HIS 110 22.539 10.324 8.401 874 HE2 HIS 110 HE2 HIS 110 20.730 12.059 8.510 875 H HIS 111 H HIS 111 17.699 10.053 2.753 876 HA HIS 111 HA HIS 111 18.513 12.784 3.165 877 HB2 HIS 111 2HB HIS 111 19.089 13.282 0.775 878 HB3 HIS 111 3HB HIS 111 20.252 12.208 1.536 879 HD1 HIS 111 HD1 HIS 111 18.415 12.575 -1.507 880 HD2 HIS 111 HD2 HIS 111 19.673 9.338 0.773 881 HE1 HIS 111 HE1 HIS 111 18.334 10.597 -3.047 882 HE2 HIS 111 HE2 HIS 111 18.850 8.633 -1.570 883 H HIS 112 H HIS 112 16.855 14.122 2.812 884 HA HIS 112 HA HIS 112 14.242 13.030 2.183 885 HB2 HIS 112 2HB HIS 112 14.539 14.529 4.119 886 HB3 HIS 112 3HB HIS 112 15.134 15.812 3.073 887 HD1 HIS 112 HD1 HIS 112 13.347 17.062 1.596 888 HD2 HIS 112 HD2 HIS 112 11.757 14.272 4.234 889 HE1 HIS 112 HE1 HIS 112 10.885 17.549 1.698 890 HE2 HIS 112 HE2 HIS 112 10.005 15.992 3.456 Start of MODEL 7 1 H1 MET 1 1H MET 1 1.603 3.362 14.509 2 H2 MET 1 2H MET 1 3.183 3.912 14.737 3 H3 MET 1 3H MET 1 2.306 3.295 16.041 4 HA MET 1 HA MET 1 3.952 1.730 15.238 5 HB2 MET 1 2HB MET 1 1.026 0.956 14.838 6 HB3 MET 1 3HB MET 1 2.340 -0.215 14.875 7 HG2 MET 1 2HG MET 1 1.201 -0.126 17.020 8 HG3 MET 1 3HG MET 1 2.868 0.430 17.180 9 HE1 MET 1 3HE MET 1 0.860 0.887 19.471 10 HE2 MET 1 1HE MET 1 1.045 2.597 19.861 11 HE3 MET 1 2HE MET 1 2.468 1.611 19.525 12 H GLY 2 H GLY 2 4.983 2.723 13.380 13 HA2 GLY 2 2HA GLY 2 5.729 2.650 11.214 14 HA3 GLY 2 3HA GLY 2 4.632 1.312 10.915 15 H LYS 3 H LYS 3 4.769 2.752 8.807 16 HA LYS 3 HA LYS 3 2.246 4.222 8.695 17 HB2 LYS 3 2HB LYS 3 4.078 5.915 9.203 18 HB3 LYS 3 3HB LYS 3 4.820 5.506 7.659 19 HG2 LYS 3 2HG LYS 3 2.740 6.231 6.500 20 HG3 LYS 3 3HG LYS 3 2.052 6.701 8.054 21 HD2 LYS 3 2HD LYS 3 4.587 7.873 6.845 22 HD3 LYS 3 3HD LYS 3 2.993 8.613 6.747 23 HE2 LYS 3 2HE LYS 3 2.937 8.776 9.221 24 HE3 LYS 3 3HE LYS 3 4.566 8.090 9.290 25 HZ1 LYS 3 3HZ LYS 3 4.577 10.517 9.423 26 HZ2 LYS 3 1HZ LYS 3 3.819 10.622 7.919 27 HZ3 LYS 3 2HZ LYS 3 5.383 9.993 8.031 28 H VAL 4 H VAL 4 1.216 3.093 7.181 29 HA VAL 4 HA VAL 4 2.663 1.805 4.959 30 HB VAL 4 HB VAL 4 -0.266 1.458 5.796 31 HG11 VAL 4 1HG1 VAL 4 1.490 -0.284 4.007 32 HG12 VAL 4 2HG1 VAL 4 0.182 0.776 3.472 33 HG13 VAL 4 3HG1 VAL 4 -0.179 -0.625 4.476 34 HG21 VAL 4 3HG2 VAL 4 0.423 -0.603 6.962 35 HG22 VAL 4 1HG2 VAL 4 1.216 0.813 7.654 36 HG23 VAL 4 2HG2 VAL 4 2.119 -0.270 6.591 37 H LEU 5 H LEU 5 2.299 2.366 2.810 38 HA LEU 5 HA LEU 5 0.346 4.494 2.172 39 HB2 LEU 5 2HB LEU 5 2.691 4.895 1.439 40 HB3 LEU 5 3HB LEU 5 2.671 3.395 0.528 41 HG LEU 5 HG LEU 5 0.870 4.340 -0.938 42 HD11 LEU 5 1HD1 LEU 5 0.371 6.743 -0.905 43 HD12 LEU 5 2HD1 LEU 5 1.333 6.932 0.563 44 HD13 LEU 5 3HD1 LEU 5 -0.135 5.953 0.588 45 HD21 LEU 5 3HD2 LEU 5 3.410 6.005 -0.839 46 HD22 LEU 5 1HD2 LEU 5 2.320 5.856 -2.220 47 HD23 LEU 5 2HD2 LEU 5 3.214 4.450 -1.652 48 H LEU 6 H LEU 6 -1.555 3.693 1.531 49 HA LEU 6 HA LEU 6 -1.812 0.986 0.462 50 HB2 LEU 6 2HB LEU 6 -3.260 1.937 2.359 51 HB3 LEU 6 3HB LEU 6 -3.989 3.002 1.168 52 HG LEU 6 HG LEU 6 -4.735 0.938 -0.102 53 HD11 LEU 6 1HD1 LEU 6 -3.138 -0.688 0.777 54 HD12 LEU 6 2HD1 LEU 6 -4.790 -1.222 1.075 55 HD13 LEU 6 3HD1 LEU 6 -3.835 -0.540 2.395 56 HD21 LEU 6 3HD2 LEU 6 -6.638 0.471 1.399 57 HD22 LEU 6 1HD2 LEU 6 -6.288 2.196 1.306 58 HD23 LEU 6 2HD2 LEU 6 -5.796 1.273 2.726 59 H VAL 7 H VAL 7 -1.220 1.060 -1.684 60 HA VAL 7 HA VAL 7 -2.012 3.261 -3.442 61 HB VAL 7 HB VAL 7 -0.354 0.748 -4.036 62 HG11 VAL 7 1HG1 VAL 7 0.317 1.883 -6.134 63 HG12 VAL 7 2HG1 VAL 7 -0.796 3.209 -5.782 64 HG13 VAL 7 3HG1 VAL 7 -1.422 1.586 -6.084 65 HG21 VAL 7 3HG2 VAL 7 0.761 2.234 -2.430 66 HG22 VAL 7 1HG2 VAL 7 0.558 3.611 -3.518 67 HG23 VAL 7 2HG2 VAL 7 1.603 2.261 -3.978 68 H ILE 8 H ILE 8 -4.028 3.166 -4.083 69 HA ILE 8 HA ILE 8 -5.366 0.644 -4.875 70 HB ILE 8 HB ILE 8 -6.617 3.322 -4.041 71 HG12 ILE 8 2HG1 ILE 8 -6.425 0.749 -2.398 72 HG13 ILE 8 3HG1 ILE 8 -5.429 2.178 -2.147 73 HG21 ILE 8 1HG2 ILE 8 -8.076 2.040 -5.563 74 HG22 ILE 8 2HG2 ILE 8 -8.763 2.087 -3.942 75 HG23 ILE 8 3HG2 ILE 8 -7.962 0.621 -4.515 76 HD11 ILE 8 3HD1 ILE 8 -7.422 3.465 -1.580 77 HD12 ILE 8 1HD1 ILE 8 -7.213 2.058 -0.541 78 HD13 ILE 8 2HD1 ILE 8 -8.415 2.025 -1.825 79 H SER 9 H SER 9 -5.899 0.478 -7.000 80 HA SER 9 HA SER 9 -6.398 2.838 -8.673 81 HB2 SER 9 2HB SER 9 -4.429 0.726 -9.652 82 HB3 SER 9 3HB SER 9 -4.778 2.292 -10.370 83 HG SER 9 HG SER 9 -3.878 3.083 -8.224 84 H THR 10 H THR 10 -7.758 2.341 -10.417 85 HA THR 10 HA THR 10 -9.222 -0.168 -10.346 86 HB THR 10 HB THR 10 -10.632 0.946 -12.113 87 HG1 THR 10 HG1 THR 10 -9.034 2.241 -13.109 88 HG21 THR 10 3HG2 THR 10 -11.518 2.773 -10.703 89 HG22 THR 10 1HG2 THR 10 -10.060 2.725 -9.709 90 HG23 THR 10 2HG2 THR 10 -11.165 1.349 -9.724 91 H ASP 11 H ASP 11 -6.414 0.920 -11.836 92 HA ASP 11 HA ASP 11 -6.651 -0.857 -14.191 93 HB2 ASP 11 2HB ASP 11 -4.889 1.589 -13.727 94 HB3 ASP 11 3HB ASP 11 -4.729 0.511 -15.109 95 H THR 12 H THR 12 -6.069 -2.743 -13.176 96 HA THR 12 HA THR 12 -3.985 -3.208 -11.363 97 HB THR 12 HB THR 12 -5.124 -5.179 -13.407 98 HG1 THR 12 HG1 THR 12 -6.056 -4.465 -10.793 99 HG21 THR 12 3HG2 THR 12 -3.126 -6.048 -12.235 100 HG22 THR 12 1HG2 THR 12 -4.581 -6.908 -11.731 101 HG23 THR 12 2HG2 THR 12 -3.871 -5.684 -10.676 102 H ASN 13 H ASN 13 -3.965 -2.988 -14.857 103 HA ASN 13 HA ASN 13 -1.415 -3.998 -15.491 104 HB2 ASN 13 2HB ASN 13 -3.101 -1.850 -16.857 105 HB3 ASN 13 3HB ASN 13 -1.611 -2.495 -17.544 106 HD21 ASN 13 1HD2 ASN 13 -2.786 -3.237 -19.366 107 HD22 ASN 13 2HD2 ASN 13 -3.794 -4.636 -19.293 108 H ILE 14 H ILE 14 -2.445 -0.766 -14.408 109 HA ILE 14 HA ILE 14 0.136 0.481 -14.744 110 HB ILE 14 HB ILE 14 -2.333 1.353 -13.161 111 HG12 ILE 14 2HG1 ILE 14 -2.751 1.240 -15.581 112 HG13 ILE 14 3HG1 ILE 14 -2.728 2.914 -15.055 113 HG21 ILE 14 1HG2 ILE 14 -1.340 3.609 -13.089 114 HG22 ILE 14 2HG2 ILE 14 0.142 2.987 -13.816 115 HG23 ILE 14 3HG2 ILE 14 -0.353 2.433 -12.216 116 HD11 ILE 14 3HD1 ILE 14 -1.640 2.681 -17.196 117 HD12 ILE 14 1HD1 ILE 14 -0.530 1.473 -16.549 118 HD13 ILE 14 2HD1 ILE 14 -0.446 3.143 -15.986 119 H ILE 15 H ILE 15 -1.709 -0.893 -12.017 120 HA ILE 15 HA ILE 15 0.026 -0.356 -9.884 121 HB ILE 15 HB ILE 15 -1.663 -2.897 -10.194 122 HG12 ILE 15 2HG1 ILE 15 -2.429 -0.222 -8.932 123 HG13 ILE 15 3HG1 ILE 15 -3.040 -0.849 -10.459 124 HG21 ILE 15 1HG2 ILE 15 -1.639 -3.015 -7.719 125 HG22 ILE 15 2HG2 ILE 15 -0.597 -1.594 -7.648 126 HG23 ILE 15 3HG2 ILE 15 0.002 -3.087 -8.369 127 HD11 ILE 15 3HD1 ILE 15 -4.092 -2.712 -9.249 128 HD12 ILE 15 1HD1 ILE 15 -4.668 -1.133 -8.713 129 HD13 ILE 15 2HD1 ILE 15 -3.511 -2.027 -7.726 130 H SER 16 H SER 16 -0.037 -3.057 -12.160 131 HA SER 16 HA SER 16 1.915 -4.731 -11.076 132 HB2 SER 16 2HB SER 16 0.314 -5.432 -12.844 133 HB3 SER 16 3HB SER 16 1.140 -4.408 -14.021 134 HG SER 16 HG SER 16 2.292 -6.585 -12.599 135 H SER 17 H SER 17 2.226 -2.200 -13.541 136 HA SER 17 HA SER 17 4.964 -2.553 -14.141 137 HB2 SER 17 2HB SER 17 3.179 -0.104 -14.441 138 HB3 SER 17 3HB SER 17 4.724 -0.339 -15.259 139 HG SER 17 HG SER 17 3.761 -2.243 -16.229 140 H VAL 18 H VAL 18 3.316 -0.200 -12.025 141 HA VAL 18 HA VAL 18 5.567 1.202 -11.031 142 HB VAL 18 HB VAL 18 2.797 0.724 -9.819 143 HG11 VAL 18 1HG1 VAL 18 4.850 2.795 -8.949 144 HG12 VAL 18 2HG1 VAL 18 4.326 1.388 -8.021 145 HG13 VAL 18 3HG1 VAL 18 3.186 2.683 -8.371 146 HG21 VAL 18 3HG2 VAL 18 2.779 1.863 -12.013 147 HG22 VAL 18 1HG2 VAL 18 3.854 3.114 -11.383 148 HG23 VAL 18 2HG2 VAL 18 2.224 2.931 -10.727 149 H GLN 19 H GLN 19 3.859 -1.646 -9.890 150 HA GLN 19 HA GLN 19 4.998 -1.918 -7.324 151 HB2 GLN 19 2HB GLN 19 2.892 -2.992 -7.895 152 HB3 GLN 19 3HB GLN 19 3.653 -3.913 -9.188 153 HG2 GLN 19 2HG GLN 19 5.012 -5.093 -7.444 154 HG3 GLN 19 3HG GLN 19 4.060 -4.263 -6.211 155 HE21 GLN 19 1HE2 GLN 19 1.535 -4.399 -7.667 156 HE22 GLN 19 2HE2 GLN 19 1.032 -6.047 -7.625 157 H GLU 20 H GLU 20 5.656 -3.663 -10.387 158 HA GLU 20 HA GLU 20 7.800 -5.218 -9.410 159 HB2 GLU 20 2HB GLU 20 7.153 -4.396 -12.268 160 HB3 GLU 20 3HB GLU 20 8.342 -5.617 -11.825 161 HG2 GLU 20 2HG GLU 20 5.368 -5.759 -11.255 162 HG3 GLU 20 3HG GLU 20 6.206 -6.605 -12.550 163 H ARG 21 H ARG 21 7.686 -1.984 -10.857 164 HA ARG 21 HA ARG 21 10.488 -1.598 -11.169 165 HB2 ARG 21 2HB ARG 21 8.914 -0.141 -12.322 166 HB3 ARG 21 3HB ARG 21 8.190 0.383 -10.806 167 HG2 ARG 21 2HG ARG 21 9.978 1.777 -10.273 168 HG3 ARG 21 3HG ARG 21 11.107 0.897 -11.291 169 HD2 ARG 21 2HD ARG 21 10.638 3.093 -12.225 170 HD3 ARG 21 3HD ARG 21 10.047 1.831 -13.305 171 HE ARG 21 HE ARG 21 7.982 2.765 -11.570 172 HH11 ARG 21 1HH1 ARG 21 9.748 3.648 -14.490 173 HH12 ARG 21 2HH1 ARG 21 8.469 4.645 -15.102 174 HH21 ARG 21 1HH2 ARG 21 6.322 4.107 -12.388 175 HH22 ARG 21 2HH2 ARG 21 6.531 4.905 -13.916 176 H ALA 22 H ALA 22 8.231 -0.979 -8.510 177 HA ALA 22 HA ALA 22 10.110 0.310 -6.771 178 HB1 ALA 22 3HB ALA 22 7.403 -0.922 -6.147 179 HB2 ALA 22 1HB ALA 22 7.695 0.745 -6.645 180 HB3 ALA 22 2HB ALA 22 8.313 0.168 -5.096 181 H LYS 23 H LYS 23 8.998 -3.036 -7.167 182 HA LYS 23 HA LYS 23 10.293 -4.167 -4.900 183 HB2 LYS 23 2HB LYS 23 9.345 -5.416 -7.515 184 HB3 LYS 23 3HB LYS 23 9.996 -6.360 -6.175 185 HG2 LYS 23 2HG LYS 23 8.166 -5.739 -4.732 186 HG3 LYS 23 3HG LYS 23 7.586 -4.541 -5.891 187 HD2 LYS 23 2HD LYS 23 6.156 -6.506 -5.969 188 HD3 LYS 23 3HD LYS 23 7.033 -6.355 -7.491 189 HE2 LYS 23 2HE LYS 23 8.642 -8.085 -6.676 190 HE3 LYS 23 3HE LYS 23 7.654 -8.276 -5.224 191 HZ1 LYS 23 3HZ LYS 23 5.816 -8.989 -6.577 192 HZ2 LYS 23 1HZ LYS 23 7.165 -9.935 -6.955 193 HZ3 LYS 23 2HZ LYS 23 6.678 -8.698 -8.000 194 H HIS 24 H HIS 24 11.409 -3.414 -8.142 195 HA HIS 24 HA HIS 24 13.889 -4.934 -7.917 196 HB2 HIS 24 2HB HIS 24 12.983 -2.871 -9.982 197 HB3 HIS 24 3HB HIS 24 14.474 -3.803 -10.094 198 HD1 HIS 24 HD1 HIS 24 12.674 -4.105 -12.405 199 HD2 HIS 24 HD2 HIS 24 12.211 -6.476 -9.015 200 HE1 HIS 24 HE1 HIS 24 11.381 -6.125 -13.161 201 HE2 HIS 24 HE2 HIS 24 11.051 -7.501 -11.087 202 H ASN 25 H ASN 25 12.775 -1.693 -7.284 203 HA ASN 25 HA ASN 25 15.470 -0.529 -7.052 204 HB2 ASN 25 2HB ASN 25 12.666 0.662 -6.986 205 HB3 ASN 25 3HB ASN 25 14.097 1.613 -6.620 206 HD21 ASN 25 1HD2 ASN 25 14.229 -0.840 -9.160 207 HD22 ASN 25 2HD2 ASN 25 14.251 0.270 -10.473 208 H TYR 26 H TYR 26 12.902 -1.718 -5.001 209 HA TYR 26 HA TYR 26 14.333 -0.871 -2.549 210 HB2 TYR 26 2HB TYR 26 11.286 -0.704 -2.795 211 HB3 TYR 26 3HB TYR 26 12.279 -0.152 -1.449 212 HD1 TYR 26 HD1 TYR 26 13.880 1.835 -1.877 213 HD2 TYR 26 HD2 TYR 26 10.729 0.797 -4.576 214 HE1 TYR 26 HE1 TYR 26 14.079 4.024 -2.967 215 HE2 TYR 26 HE2 TYR 26 10.934 2.993 -5.651 216 HH TYR 26 HH TYR 26 13.604 5.012 -5.128 217 HA PRO 27 HA PRO 27 13.667 -5.154 -1.422 218 HB2 PRO 27 2HB PRO 27 13.778 -5.029 1.322 219 HB3 PRO 27 3HB PRO 27 15.207 -4.827 0.286 220 HG2 PRO 27 2HG PRO 27 13.506 -2.719 1.575 221 HG3 PRO 27 3HG PRO 27 15.279 -2.845 1.500 222 HD2 PRO 27 2HD PRO 27 13.901 -1.229 -0.175 223 HD3 PRO 27 3HD PRO 27 15.379 -2.073 -0.695 224 H GLY 28 H GLY 28 12.275 -6.617 -0.183 225 HA2 GLY 28 2HA GLY 28 9.502 -5.987 -0.575 226 HA3 GLY 28 3HA GLY 28 10.166 -7.499 0.022 227 H ARG 29 H ARG 29 11.549 -5.471 2.077 228 HA ARG 29 HA ARG 29 9.699 -5.669 4.237 229 HB2 ARG 29 2HB ARG 29 12.241 -4.047 3.840 230 HB3 ARG 29 3HB ARG 29 11.313 -3.975 5.334 231 HG2 ARG 29 2HG ARG 29 11.702 -6.362 5.735 232 HG3 ARG 29 3HG ARG 29 12.566 -6.503 4.201 233 HD2 ARG 29 2HD ARG 29 14.065 -6.322 6.218 234 HD3 ARG 29 3HD ARG 29 14.354 -5.090 4.991 235 HE ARG 29 HE ARG 29 13.675 -3.467 6.447 236 HH11 ARG 29 1HH1 ARG 29 12.837 -6.573 7.875 237 HH12 ARG 29 2HH1 ARG 29 12.435 -5.886 9.414 238 HH21 ARG 29 1HH2 ARG 29 13.132 -2.595 8.448 239 HH22 ARG 29 2HH2 ARG 29 12.603 -3.624 9.739 240 H TYR 30 H TYR 30 9.918 -3.468 1.611 241 HA TYR 30 HA TYR 30 8.249 -1.453 3.019 242 HB2 TYR 30 2HB TYR 30 10.209 -1.057 0.716 243 HB3 TYR 30 3HB TYR 30 9.131 0.195 1.335 244 HD1 TYR 30 HD1 TYR 30 9.258 0.571 3.971 245 HD2 TYR 30 HD2 TYR 30 12.394 -1.132 1.625 246 HE1 TYR 30 HE1 TYR 30 10.867 1.127 5.726 247 HE2 TYR 30 HE2 TYR 30 14.007 -0.569 3.388 248 HH TYR 30 HH TYR 30 14.282 0.858 5.243 249 H ILE 31 H ILE 31 8.595 -3.382 0.069 250 HA ILE 31 HA ILE 31 5.927 -2.441 -0.798 251 HB ILE 31 HB ILE 31 8.081 -3.915 -2.401 252 HG12 ILE 31 2HG1 ILE 31 7.824 -1.940 -3.965 253 HG13 ILE 31 3HG1 ILE 31 6.730 -1.184 -2.815 254 HG21 ILE 31 1HG2 ILE 31 6.463 -3.920 -4.318 255 HG22 ILE 31 2HG2 ILE 31 5.185 -3.379 -3.229 256 HG23 ILE 31 3HG2 ILE 31 5.944 -4.953 -2.987 257 HD11 ILE 31 3HD1 ILE 31 8.986 -0.245 -2.750 258 HD12 ILE 31 1HD1 ILE 31 9.644 -1.825 -2.324 259 HD13 ILE 31 2HD1 ILE 31 8.558 -0.988 -1.210 260 H ARG 32 H ARG 32 4.281 -3.639 -0.347 261 HA ARG 32 HA ARG 32 4.385 -6.572 -0.381 262 HB2 ARG 32 2HB ARG 32 4.406 -5.902 1.999 263 HB3 ARG 32 3HB ARG 32 3.054 -4.809 1.738 264 HG2 ARG 32 2HG ARG 32 2.311 -6.825 2.881 265 HG3 ARG 32 3HG ARG 32 1.572 -6.706 1.286 266 HD2 ARG 32 2HD ARG 32 3.533 -8.277 0.531 267 HD3 ARG 32 3HD ARG 32 3.688 -8.635 2.252 268 HE ARG 32 HE ARG 32 1.386 -9.237 0.515 269 HH11 ARG 32 1HH1 ARG 32 2.972 -9.702 3.607 270 HH12 ARG 32 2HH1 ARG 32 1.915 -10.992 4.083 271 HH21 ARG 32 1HH2 ARG 32 -0.017 -10.861 1.164 272 HH22 ARG 32 2HH2 ARG 32 0.212 -11.650 2.690 273 H THR 33 H THR 33 2.333 -7.494 -1.057 274 HA THR 33 HA THR 33 0.325 -5.617 -2.178 275 HB THR 33 HB THR 33 -0.257 -7.529 -3.732 276 HG1 THR 33 HG1 THR 33 0.560 -9.343 -2.881 277 HG21 THR 33 3HG2 THR 33 1.672 -7.234 -5.238 278 HG22 THR 33 1HG2 THR 33 2.619 -6.557 -3.910 279 HG23 THR 33 2HG2 THR 33 1.201 -5.697 -4.513 280 H ALA 34 H ALA 34 -1.840 -6.066 -1.810 281 HA ALA 34 HA ALA 34 -2.562 -8.394 -0.118 282 HB1 ALA 34 3HB ALA 34 -2.645 -6.335 1.237 283 HB2 ALA 34 1HB ALA 34 -4.260 -7.004 0.994 284 HB3 ALA 34 2HB ALA 34 -3.738 -5.591 0.068 285 H THR 35 H THR 35 -3.579 -9.722 -1.481 286 HA THR 35 HA THR 35 -5.326 -8.685 -3.590 287 HB THR 35 HB THR 35 -3.730 -10.550 -4.128 288 HG1 THR 35 HG1 THR 35 -5.737 -10.194 -5.289 289 HG21 THR 35 3HG2 THR 35 -5.556 -12.260 -2.396 290 HG22 THR 35 1HG2 THR 35 -3.879 -11.851 -2.033 291 HG23 THR 35 2HG2 THR 35 -4.257 -12.853 -3.435 292 H SER 36 H SER 36 -5.560 -9.665 -0.364 293 HA SER 36 HA SER 36 -8.455 -9.399 -0.413 294 HB2 SER 36 2HB SER 36 -8.130 -11.839 -0.746 295 HB3 SER 36 3HB SER 36 -7.114 -11.910 0.692 296 HG SER 36 HG SER 36 -9.838 -11.914 0.469 297 H SER 37 H SER 37 -9.305 -9.463 1.818 298 HA SER 37 HA SER 37 -7.925 -7.741 3.631 299 HB2 SER 37 2HB SER 37 -9.924 -8.170 5.109 300 HB3 SER 37 3HB SER 37 -10.363 -7.671 3.475 301 HG SER 37 HG SER 37 -11.206 -9.584 3.100 302 H GLN 38 H GLN 38 -8.081 -11.175 3.201 303 HA GLN 38 HA GLN 38 -7.289 -12.091 5.754 304 HB2 GLN 38 2HB GLN 38 -6.536 -13.306 3.054 305 HB3 GLN 38 3HB GLN 38 -6.562 -14.136 4.607 306 HG2 GLN 38 2HG GLN 38 -8.939 -13.127 3.020 307 HG3 GLN 38 3HG GLN 38 -8.498 -14.801 3.336 308 HE21 GLN 38 1HE2 GLN 38 -9.988 -11.934 4.621 309 HE22 GLN 38 2HE2 GLN 38 -10.636 -12.652 6.053 310 H ASP 39 H ASP 39 -5.399 -11.172 2.863 311 HA ASP 39 HA ASP 39 -2.807 -11.361 3.950 312 HB2 ASP 39 2HB ASP 39 -3.836 -9.419 1.816 313 HB3 ASP 39 3HB ASP 39 -2.136 -9.782 2.123 314 H ILE 40 H ILE 40 -5.044 -8.624 3.655 315 HA ILE 40 HA ILE 40 -3.505 -6.509 4.512 316 HB ILE 40 HB ILE 40 -6.490 -7.049 4.702 317 HG12 ILE 40 2HG1 ILE 40 -4.820 -5.166 2.969 318 HG13 ILE 40 3HG1 ILE 40 -5.547 -6.682 2.456 319 HG21 ILE 40 1HG2 ILE 40 -6.039 -5.573 6.592 320 HG22 ILE 40 2HG2 ILE 40 -6.905 -4.701 5.331 321 HG23 ILE 40 3HG2 ILE 40 -5.171 -4.450 5.543 322 HD11 ILE 40 3HD1 ILE 40 -6.986 -4.151 3.216 323 HD12 ILE 40 1HD1 ILE 40 -7.778 -5.682 2.830 324 HD13 ILE 40 2HD1 ILE 40 -6.815 -4.853 1.608 325 H ARG 41 H ARG 41 -5.722 -8.436 6.555 326 HA ARG 41 HA ARG 41 -5.224 -7.361 9.034 327 HB2 ARG 41 2HB ARG 41 -5.873 -10.236 8.280 328 HB3 ARG 41 3HB ARG 41 -5.788 -9.683 9.953 329 HG2 ARG 41 2HG ARG 41 -7.562 -7.997 9.438 330 HG3 ARG 41 3HG ARG 41 -7.698 -8.695 7.821 331 HD2 ARG 41 2HD ARG 41 -9.398 -9.496 9.539 332 HD3 ARG 41 3HD ARG 41 -8.524 -10.748 8.662 333 HE ARG 41 HE ARG 41 -7.631 -11.472 10.625 334 HH11 ARG 41 1HH1 ARG 41 -8.823 -8.203 11.252 335 HH12 ARG 41 2HH1 ARG 41 -8.515 -8.315 12.953 336 HH21 ARG 41 1HH2 ARG 41 -7.207 -11.547 12.843 337 HH22 ARG 41 2HH2 ARG 41 -7.606 -10.192 13.848 338 H ASP 42 H ASP 42 -3.507 -10.034 7.471 339 HA ASP 42 HA ASP 42 -1.730 -10.632 9.586 340 HB2 ASP 42 2HB ASP 42 -2.402 -12.183 7.715 341 HB3 ASP 42 3HB ASP 42 -1.398 -11.245 6.615 342 H ILE 43 H ILE 43 -1.526 -8.381 6.853 343 HA ILE 43 HA ILE 43 1.246 -7.748 7.026 344 HB ILE 43 HB ILE 43 -1.075 -6.097 5.897 345 HG12 ILE 43 2HG1 ILE 43 0.925 -7.806 4.322 346 HG13 ILE 43 3HG1 ILE 43 -0.648 -8.400 4.835 347 HG21 ILE 43 1HG2 ILE 43 0.857 -4.649 6.349 348 HG22 ILE 43 2HG2 ILE 43 0.634 -4.839 4.613 349 HG23 ILE 43 3HG2 ILE 43 1.917 -5.729 5.438 350 HD11 ILE 43 3HD1 ILE 43 -0.683 -7.684 2.519 351 HD12 ILE 43 1HD1 ILE 43 -0.181 -6.062 2.995 352 HD13 ILE 43 2HD1 ILE 43 -1.754 -6.685 3.503 353 H ILE 44 H ILE 44 -1.693 -6.207 8.318 354 HA ILE 44 HA ILE 44 -0.531 -3.999 9.613 355 HB ILE 44 HB ILE 44 -3.128 -5.479 10.278 356 HG12 ILE 44 2HG1 ILE 44 -2.631 -2.983 8.572 357 HG13 ILE 44 3HG1 ILE 44 -3.071 -4.574 7.962 358 HG21 ILE 44 1HG2 ILE 44 -2.416 -4.115 12.210 359 HG22 ILE 44 2HG2 ILE 44 -3.851 -3.424 11.457 360 HG23 ILE 44 3HG2 ILE 44 -2.268 -2.694 11.172 361 HD11 ILE 44 3HD1 ILE 44 -4.776 -2.754 9.646 362 HD12 ILE 44 1HD1 ILE 44 -5.230 -4.385 9.140 363 HD13 ILE 44 2HD1 ILE 44 -4.973 -3.125 7.934 364 H LYS 45 H LYS 45 -1.202 -7.306 10.712 365 HA LYS 45 HA LYS 45 -0.621 -7.086 13.428 366 HB2 LYS 45 2HB LYS 45 -0.249 -9.472 11.576 367 HB3 LYS 45 3HB LYS 45 -0.124 -9.571 13.331 368 HG2 LYS 45 2HG LYS 45 -2.459 -8.913 13.581 369 HG3 LYS 45 3HG LYS 45 -2.607 -8.662 11.846 370 HD2 LYS 45 2HD LYS 45 -3.630 -10.774 12.312 371 HD3 LYS 45 3HD LYS 45 -2.089 -11.131 11.530 372 HE2 LYS 45 2HE LYS 45 -2.433 -12.650 13.396 373 HE3 LYS 45 3HE LYS 45 -1.091 -11.572 13.773 374 HZ1 LYS 45 3HZ LYS 45 -2.531 -11.811 15.672 375 HZ2 LYS 45 1HZ LYS 45 -3.873 -11.325 14.772 376 HZ3 LYS 45 2HZ LYS 45 -2.639 -10.226 15.096 377 H SER 46 H SER 46 1.613 -7.443 10.714 378 HA SER 46 HA SER 46 3.977 -7.723 12.360 379 HB2 SER 46 2HB SER 46 3.733 -7.045 9.395 380 HB3 SER 46 3HB SER 46 5.179 -7.631 10.219 381 HG SER 46 HG SER 46 3.651 -9.494 10.787 382 H MET 47 H MET 47 2.235 -5.130 10.722 383 HA MET 47 HA MET 47 4.326 -3.152 10.928 384 HB2 MET 47 2HB MET 47 1.389 -2.973 10.162 385 HB3 MET 47 3HB MET 47 2.460 -1.572 10.177 386 HG2 MET 47 2HG MET 47 2.826 -4.054 8.483 387 HG3 MET 47 3HG MET 47 2.227 -2.492 7.922 388 HE1 MET 47 3HE MET 47 5.451 -0.248 8.410 389 HE2 MET 47 1HE MET 47 4.219 -0.533 9.640 390 HE3 MET 47 2HE MET 47 3.744 -0.257 7.962 391 H LYS 48 H LYS 48 1.904 -4.259 13.119 392 HA LYS 48 HA LYS 48 1.701 -1.900 14.747 393 HB2 LYS 48 2HB LYS 48 1.225 -4.814 15.530 394 HB3 LYS 48 3HB LYS 48 0.730 -3.405 16.470 395 HG2 LYS 48 2HG LYS 48 -0.661 -2.702 14.463 396 HG3 LYS 48 3HG LYS 48 -0.309 -4.280 13.769 397 HD2 LYS 48 2HD LYS 48 -1.748 -3.803 16.400 398 HD3 LYS 48 3HD LYS 48 -2.530 -4.164 14.864 399 HE2 LYS 48 2HE LYS 48 -1.405 -6.357 14.825 400 HE3 LYS 48 3HE LYS 48 -0.655 -6.000 16.382 401 HZ1 LYS 48 3HZ LYS 48 -2.634 -7.344 16.666 402 HZ2 LYS 48 1HZ LYS 48 -3.574 -6.199 15.850 403 HZ3 LYS 48 2HZ LYS 48 -2.889 -5.813 17.343 404 H ASP 49 H ASP 49 3.895 -4.579 14.541 405 HA ASP 49 HA ASP 49 5.441 -3.882 16.915 406 HB2 ASP 49 2HB ASP 49 5.191 -6.246 16.266 407 HB3 ASP 49 3HB ASP 49 5.883 -5.922 14.679 408 H ASN 50 H ASN 50 5.679 -3.640 13.397 409 HA ASN 50 HA ASN 50 8.395 -2.578 13.420 410 HB2 ASN 50 2HB ASN 50 6.463 -3.400 11.225 411 HB3 ASN 50 3HB ASN 50 7.953 -2.542 10.853 412 HD21 ASN 50 1HD2 ASN 50 7.865 -4.897 13.483 413 HD22 ASN 50 2HD2 ASN 50 8.797 -6.099 12.672 414 H GLY 51 H GLY 51 8.591 -0.499 13.963 415 HA2 GLY 51 2HA GLY 51 6.583 1.534 13.309 416 HA3 GLY 51 3HA GLY 51 8.006 1.732 14.318 417 H LYS 52 H LYS 52 7.453 0.743 10.933 418 HA LYS 52 HA LYS 52 9.284 2.844 9.953 419 HB2 LYS 52 2HB LYS 52 10.386 1.112 8.457 420 HB3 LYS 52 3HB LYS 52 10.741 0.949 10.164 421 HG2 LYS 52 2HG LYS 52 10.468 -1.258 9.375 422 HG3 LYS 52 3HG LYS 52 8.972 -0.895 10.238 423 HD2 LYS 52 2HD LYS 52 7.827 -0.476 8.104 424 HD3 LYS 52 3HD LYS 52 9.329 -0.758 7.222 425 HE2 LYS 52 2HE LYS 52 9.318 -3.092 7.796 426 HE3 LYS 52 3HE LYS 52 8.015 -2.865 8.967 427 HZ1 LYS 52 3HZ LYS 52 7.789 -2.524 6.026 428 HZ2 LYS 52 1HZ LYS 52 6.549 -2.235 7.138 429 HZ3 LYS 52 2HZ LYS 52 7.155 -3.797 6.934 430 HA PRO 53 HA PRO 53 6.224 3.303 6.707 431 HB2 PRO 53 2HB PRO 53 7.607 3.880 4.418 432 HB3 PRO 53 3HB PRO 53 7.515 5.006 5.789 433 HG2 PRO 53 2HG PRO 53 9.721 3.100 5.071 434 HG3 PRO 53 3HG PRO 53 9.824 4.806 5.567 435 HD2 PRO 53 2HD PRO 53 10.264 2.766 7.315 436 HD3 PRO 53 3HD PRO 53 9.542 4.310 7.825 437 H LEU 54 H LEU 54 5.333 2.486 4.636 438 HA LEU 54 HA LEU 54 6.292 -0.030 3.580 439 HB2 LEU 54 2HB LEU 54 5.008 -0.566 5.782 440 HB3 LEU 54 3HB LEU 54 3.564 -0.017 4.952 441 HG LEU 54 HG LEU 54 4.001 -1.809 3.196 442 HD11 LEU 54 1HD1 LEU 54 6.397 -2.118 3.639 443 HD12 LEU 54 2HD1 LEU 54 5.507 -3.638 3.720 444 HD13 LEU 54 3HD1 LEU 54 6.015 -2.831 5.208 445 HD21 LEU 54 3HD2 LEU 54 2.315 -2.112 4.950 446 HD22 LEU 54 1HD2 LEU 54 3.534 -2.818 6.012 447 HD23 LEU 54 2HD2 LEU 54 3.084 -3.635 4.513 448 H VAL 55 H VAL 55 4.634 -0.825 1.897 449 HA VAL 55 HA VAL 55 2.856 1.172 0.745 450 HB VAL 55 HB VAL 55 5.164 0.005 -0.933 451 HG11 VAL 55 1HG1 VAL 55 4.268 1.359 -2.783 452 HG12 VAL 55 2HG1 VAL 55 2.930 1.903 -1.768 453 HG13 VAL 55 3HG1 VAL 55 3.068 0.200 -2.213 454 HG21 VAL 55 3HG2 VAL 55 5.983 2.309 -1.203 455 HG22 VAL 55 1HG2 VAL 55 5.964 1.858 0.500 456 HG23 VAL 55 2HG2 VAL 55 4.710 2.919 -0.145 457 H VAL 56 H VAL 56 1.090 -0.198 0.916 458 HA VAL 56 HA VAL 56 1.271 -2.966 -0.096 459 HB VAL 56 HB VAL 56 -0.933 -1.590 1.519 460 HG11 VAL 56 1HG1 VAL 56 -0.887 -4.461 0.483 461 HG12 VAL 56 2HG1 VAL 56 -1.986 -3.179 -0.029 462 HG13 VAL 56 3HG1 VAL 56 -2.068 -3.796 1.619 463 HG21 VAL 56 3HG2 VAL 56 1.080 -2.187 2.816 464 HG22 VAL 56 1HG2 VAL 56 0.970 -3.859 2.257 465 HG23 VAL 56 2HG2 VAL 56 -0.291 -3.184 3.294 466 H PHE 57 H PHE 57 0.785 -3.302 -2.158 467 HA PHE 57 HA PHE 57 -0.840 -1.459 -3.752 468 HB2 PHE 57 2HB PHE 57 0.783 -3.941 -4.470 469 HB3 PHE 57 3HB PHE 57 -0.163 -3.033 -5.642 470 HD1 PHE 57 HD1 PHE 57 0.572 -0.809 -6.400 471 HD2 PHE 57 HD2 PHE 57 2.920 -3.010 -3.579 472 HE1 PHE 57 HE1 PHE 57 2.469 0.704 -6.794 473 HE2 PHE 57 HE2 PHE 57 4.818 -1.480 -3.989 474 HZ PHE 57 HZ PHE 57 4.590 0.375 -5.591 475 H VAL 58 H VAL 58 -2.940 -1.768 -4.007 476 HA VAL 58 HA VAL 58 -4.293 -4.167 -3.038 477 HB VAL 58 HB VAL 58 -5.435 -1.514 -4.066 478 HG11 VAL 58 1HG1 VAL 58 -6.838 -3.759 -2.568 479 HG12 VAL 58 2HG1 VAL 58 -7.075 -3.327 -4.261 480 HG13 VAL 58 3HG1 VAL 58 -7.552 -2.199 -2.992 481 HG21 VAL 58 3HG2 VAL 58 -4.090 -1.174 -2.037 482 HG22 VAL 58 1HG2 VAL 58 -4.993 -2.437 -1.195 483 HG23 VAL 58 2HG2 VAL 58 -5.802 -0.945 -1.682 484 H ASN 59 H ASN 59 -4.070 -5.763 -4.536 485 HA ASN 59 HA ASN 59 -5.073 -5.335 -7.314 486 HB2 ASN 59 2HB ASN 59 -2.616 -5.825 -7.181 487 HB3 ASN 59 3HB ASN 59 -2.961 -7.313 -6.315 488 HD21 ASN 59 1HD2 ASN 59 -1.453 -7.265 -8.641 489 HD22 ASN 59 2HD2 ASN 59 -2.310 -8.083 -9.898 490 H GLY 60 H GLY 60 -7.186 -6.041 -7.093 491 HA2 GLY 60 2HA GLY 60 -8.668 -7.877 -7.396 492 HA3 GLY 60 3HA GLY 60 -7.609 -8.899 -6.436 493 H ALA 61 H ALA 61 -7.278 -7.077 -4.240 494 HA ALA 61 HA ALA 61 -9.592 -7.471 -2.657 495 HB1 ALA 61 3HB ALA 61 -7.357 -7.195 -1.668 496 HB2 ALA 61 1HB ALA 61 -8.471 -5.990 -1.016 497 HB3 ALA 61 2HB ALA 61 -7.281 -5.528 -2.235 498 H SER 62 H SER 62 -11.310 -6.130 -2.211 499 HA SER 62 HA SER 62 -11.722 -3.796 -3.991 500 HB2 SER 62 2HB SER 62 -13.769 -5.570 -2.582 501 HB3 SER 62 3HB SER 62 -14.118 -4.324 -3.783 502 HG SER 62 HG SER 62 -12.287 -6.190 -4.633 503 H GLN 63 H GLN 63 -13.700 -2.449 -2.843 504 HA GLN 63 HA GLN 63 -12.479 -0.845 -0.902 505 HB2 GLN 63 2HB GLN 63 -14.181 -0.027 -2.494 506 HB3 GLN 63 3HB GLN 63 -15.417 -0.992 -1.704 507 HG2 GLN 63 2HG GLN 63 -15.622 1.349 -1.077 508 HG3 GLN 63 3HG GLN 63 -15.203 0.376 0.330 509 HE21 GLN 63 1HE2 GLN 63 -13.146 0.651 1.279 510 HE22 GLN 63 2HE2 GLN 63 -12.154 2.015 0.922 511 H ASN 64 H ASN 64 -14.724 -3.566 -0.519 512 HA ASN 64 HA ASN 64 -15.415 -3.389 2.182 513 HB2 ASN 64 2HB ASN 64 -14.835 -5.855 0.484 514 HB3 ASN 64 3HB ASN 64 -15.405 -5.978 2.147 515 HD21 ASN 64 1HD2 ASN 64 -17.331 -6.974 1.604 516 HD22 ASN 64 2HD2 ASN 64 -18.606 -6.171 0.757 517 H ASP 65 H ASP 65 -12.547 -4.793 0.703 518 HA ASP 65 HA ASP 65 -11.290 -5.757 3.080 519 HB2 ASP 65 2HB ASP 65 -10.002 -5.155 0.372 520 HB3 ASP 65 3HB ASP 65 -9.389 -6.242 1.616 521 H VAL 66 H VAL 66 -10.935 -2.897 1.035 522 HA VAL 66 HA VAL 66 -8.685 -1.683 2.207 523 HB VAL 66 HB VAL 66 -11.039 -0.500 0.657 524 HG11 VAL 66 1HG1 VAL 66 -8.471 0.934 1.423 525 HG12 VAL 66 2HG1 VAL 66 -10.092 1.314 1.998 526 HG13 VAL 66 3HG1 VAL 66 -9.687 1.543 0.298 527 HG21 VAL 66 3HG2 VAL 66 -9.632 -2.079 -0.611 528 HG22 VAL 66 1HG2 VAL 66 -8.189 -1.141 -0.216 529 HG23 VAL 66 2HG2 VAL 66 -9.449 -0.441 -1.237 530 H ASN 67 H ASN 67 -12.150 -1.365 2.952 531 HA ASN 67 HA ASN 67 -11.936 0.633 4.947 532 HB2 ASN 67 2HB ASN 67 -14.072 -1.503 4.548 533 HB3 ASN 67 3HB ASN 67 -14.197 -0.213 5.743 534 HD21 ASN 67 1HD2 ASN 67 -15.871 -0.803 3.392 535 HD22 ASN 67 2HD2 ASN 67 -15.869 0.641 2.445 536 H GLU 68 H GLU 68 -11.726 -2.896 5.105 537 HA GLU 68 HA GLU 68 -11.649 -3.154 7.937 538 HB2 GLU 68 2HB GLU 68 -10.487 -5.018 5.815 539 HB3 GLU 68 3HB GLU 68 -10.758 -5.433 7.511 540 HG2 GLU 68 2HG GLU 68 -13.219 -4.923 7.126 541 HG3 GLU 68 3HG GLU 68 -12.836 -4.793 5.411 542 H PHE 69 H PHE 69 -9.146 -2.685 5.499 543 HA PHE 69 HA PHE 69 -6.831 -2.840 7.058 544 HB2 PHE 69 2HB PHE 69 -6.667 -2.677 4.631 545 HB3 PHE 69 3HB PHE 69 -7.461 -1.110 4.619 546 HD1 PHE 69 HD1 PHE 69 -4.325 -2.868 5.681 547 HD2 PHE 69 HD2 PHE 69 -6.176 0.891 4.826 548 HE1 PHE 69 HE1 PHE 69 -2.137 -1.751 5.809 549 HE2 PHE 69 HE2 PHE 69 -3.985 1.995 4.949 550 HZ PHE 69 HZ PHE 69 -1.970 0.678 5.440 551 H GLN 70 H GLN 70 -8.610 0.076 6.123 552 HA GLN 70 HA GLN 70 -7.300 1.978 7.612 553 HB2 GLN 70 2HB GLN 70 -10.241 1.904 6.827 554 HB3 GLN 70 3HB GLN 70 -9.364 3.354 7.320 555 HG2 GLN 70 2HG GLN 70 -7.926 3.213 5.357 556 HG3 GLN 70 3HG GLN 70 -8.640 1.668 4.900 557 HE21 GLN 70 1HE2 GLN 70 -10.757 1.641 4.046 558 HE22 GLN 70 2HE2 GLN 70 -11.490 3.060 3.393 559 H ASN 71 H ASN 71 -10.165 0.117 8.587 560 HA ASN 71 HA ASN 71 -10.678 1.346 11.073 561 HB2 ASN 71 2HB ASN 71 -11.379 -1.444 10.054 562 HB3 ASN 71 3HB ASN 71 -11.960 -0.819 11.595 563 HD21 ASN 71 1HD2 ASN 71 -13.339 -1.582 9.025 564 HD22 ASN 71 2HD2 ASN 71 -14.340 -0.223 8.652 565 H GLU 72 H GLU 72 -9.019 -1.776 10.436 566 HA GLU 72 HA GLU 72 -8.213 -2.247 13.073 567 HB2 GLU 72 2HB GLU 72 -7.106 -3.281 10.443 568 HB3 GLU 72 3HB GLU 72 -6.596 -3.892 12.018 569 HG2 GLU 72 2HG GLU 72 -8.885 -4.631 12.507 570 HG3 GLU 72 3HG GLU 72 -9.446 -3.946 10.976 571 H ALA 73 H ALA 73 -6.468 -0.588 10.422 572 HA ALA 73 HA ALA 73 -4.015 -0.288 11.708 573 HB1 ALA 73 3HB ALA 73 -4.366 0.104 9.306 574 HB2 ALA 73 1HB ALA 73 -3.593 1.494 10.071 575 HB3 ALA 73 2HB ALA 73 -5.314 1.548 9.671 576 H LYS 74 H LYS 74 -6.693 2.105 11.487 577 HA LYS 74 HA LYS 74 -5.578 4.052 13.141 578 HB2 LYS 74 2HB LYS 74 -7.748 5.122 13.251 579 HB3 LYS 74 3HB LYS 74 -7.493 4.487 11.631 580 HG2 LYS 74 2HG LYS 74 -8.975 2.564 12.176 581 HG3 LYS 74 3HG LYS 74 -9.244 3.249 13.777 582 HD2 LYS 74 2HD LYS 74 -11.140 3.799 12.354 583 HD3 LYS 74 3HD LYS 74 -10.252 5.280 12.718 584 HE2 LYS 74 2HE LYS 74 -9.144 5.123 10.496 585 HE3 LYS 74 3HE LYS 74 -10.102 3.685 10.138 586 HZ1 LYS 74 3HZ LYS 74 -11.082 5.637 9.149 587 HZ2 LYS 74 1HZ LYS 74 -11.164 6.416 10.647 588 HZ3 LYS 74 2HZ LYS 74 -12.107 5.046 10.354 589 H LYS 75 H LYS 75 -7.614 1.254 14.137 590 HA LYS 75 HA LYS 75 -7.913 2.199 16.859 591 HB2 LYS 75 2HB LYS 75 -9.051 0.141 17.341 592 HB3 LYS 75 3HB LYS 75 -9.556 0.634 15.729 593 HG2 LYS 75 2HG LYS 75 -8.015 -1.030 14.743 594 HG3 LYS 75 3HG LYS 75 -7.490 -1.493 16.358 595 HD2 LYS 75 2HD LYS 75 -9.030 -3.168 15.708 596 HD3 LYS 75 3HD LYS 75 -9.920 -2.152 16.838 597 HE2 LYS 75 2HE LYS 75 -10.124 -1.974 13.815 598 HE3 LYS 75 3HE LYS 75 -11.242 -2.861 14.840 599 HZ1 LYS 75 3HZ LYS 75 -10.809 0.073 14.795 600 HZ2 LYS 75 1HZ LYS 75 -11.763 -0.721 15.947 601 HZ3 LYS 75 2HZ LYS 75 -12.191 -0.766 14.313 602 H GLU 76 H GLU 76 -5.504 0.349 15.164 603 HA GLU 76 HA GLU 76 -4.172 -0.492 17.670 604 HB2 GLU 76 2HB GLU 76 -3.616 -1.264 14.779 605 HB3 GLU 76 3HB GLU 76 -2.779 -1.916 16.186 606 HG2 GLU 76 2HG GLU 76 -5.734 -2.246 15.579 607 HG3 GLU 76 3HG GLU 76 -4.489 -3.457 15.285 608 H GLY 77 H GLY 77 -4.141 2.156 15.692 609 HA2 GLY 77 2HA GLY 77 -2.830 4.049 15.903 610 HA3 GLY 77 3HA GLY 77 -1.727 3.158 16.935 611 H VAL 78 H VAL 78 -2.301 1.564 14.011 612 HA VAL 78 HA VAL 78 0.280 2.148 12.889 613 HB VAL 78 HB VAL 78 -2.094 0.697 11.599 614 HG11 VAL 78 1HG1 VAL 78 0.851 0.621 10.831 615 HG12 VAL 78 2HG1 VAL 78 -0.439 1.424 9.935 616 HG13 VAL 78 3HG1 VAL 78 -0.441 -0.332 10.088 617 HG21 VAL 78 3HG2 VAL 78 0.226 -0.522 13.152 618 HG22 VAL 78 1HG2 VAL 78 -1.044 -1.415 12.306 619 HG23 VAL 78 2HG2 VAL 78 -1.450 -0.413 13.699 620 H SER 79 H SER 79 0.715 3.945 11.750 621 HA SER 79 HA SER 79 -1.306 5.774 10.824 622 HB2 SER 79 2HB SER 79 1.695 5.765 10.239 623 HB3 SER 79 3HB SER 79 0.592 7.124 10.024 624 HG SER 79 HG SER 79 0.370 6.270 12.534 625 H TYR 80 H TYR 80 -1.934 6.116 8.646 626 HA TYR 80 HA TYR 80 -0.735 4.537 6.512 627 HB2 TYR 80 2HB TYR 80 -2.811 3.433 5.822 628 HB3 TYR 80 3HB TYR 80 -2.430 2.983 7.476 629 HD1 TYR 80 HD1 TYR 80 -3.800 3.931 9.376 630 HD2 TYR 80 HD2 TYR 80 -4.888 4.601 5.296 631 HE1 TYR 80 HE1 TYR 80 -6.057 4.606 10.078 632 HE2 TYR 80 HE2 TYR 80 -7.133 5.271 6.006 633 HH TYR 80 HH TYR 80 -7.921 5.960 9.205 634 H ASP 81 H ASP 81 -1.034 5.391 4.526 635 HA ASP 81 HA ASP 81 -2.569 7.900 4.199 636 HB2 ASP 81 2HB ASP 81 0.034 7.939 4.083 637 HB3 ASP 81 3HB ASP 81 -0.120 7.025 2.587 638 H VAL 82 H VAL 82 -4.276 7.615 2.813 639 HA VAL 82 HA VAL 82 -4.410 5.227 1.111 640 HB VAL 82 HB VAL 82 -6.591 7.311 1.639 641 HG11 VAL 82 1HG1 VAL 82 -6.772 4.554 0.347 642 HG12 VAL 82 2HG1 VAL 82 -6.924 6.110 -0.477 643 HG13 VAL 82 3HG1 VAL 82 -8.136 5.618 0.703 644 HG21 VAL 82 3HG2 VAL 82 -5.978 6.150 3.731 645 HG22 VAL 82 1HG2 VAL 82 -6.208 4.579 2.957 646 HG23 VAL 82 2HG2 VAL 82 -7.586 5.659 3.201 647 H LEU 83 H LEU 83 -3.516 5.420 -0.797 648 HA LEU 83 HA LEU 83 -3.639 7.918 -2.383 649 HB2 LEU 83 2HB LEU 83 -1.373 7.028 -1.998 650 HB3 LEU 83 3HB LEU 83 -1.852 5.449 -2.593 651 HG LEU 83 HG LEU 83 -2.129 6.378 -4.873 652 HD11 LEU 83 1HD1 LEU 83 -1.367 8.628 -5.470 653 HD12 LEU 83 2HD1 LEU 83 -1.120 9.015 -3.766 654 HD13 LEU 83 3HD1 LEU 83 -2.745 8.683 -4.371 655 HD21 LEU 83 3HD2 LEU 83 0.261 6.713 -5.390 656 HD22 LEU 83 1HD2 LEU 83 0.020 5.379 -4.264 657 HD23 LEU 83 2HD2 LEU 83 0.612 6.935 -3.675 658 H LYS 84 H LYS 84 -5.336 7.931 -3.776 659 HA LYS 84 HA LYS 84 -6.050 5.444 -5.235 660 HB2 LYS 84 2HB LYS 84 -7.912 7.736 -4.424 661 HB3 LYS 84 3HB LYS 84 -8.367 6.381 -5.454 662 HG2 LYS 84 2HG LYS 84 -7.857 4.832 -3.532 663 HG3 LYS 84 3HG LYS 84 -7.593 6.254 -2.517 664 HD2 LYS 84 2HD LYS 84 -9.936 6.958 -2.872 665 HD3 LYS 84 3HD LYS 84 -10.194 5.584 -3.952 666 HE2 LYS 84 2HE LYS 84 -9.704 4.043 -2.046 667 HE3 LYS 84 3HE LYS 84 -9.573 5.445 -0.983 668 HZ1 LYS 84 3HZ LYS 84 -11.748 4.369 -0.880 669 HZ2 LYS 84 1HZ LYS 84 -12.002 4.690 -2.518 670 HZ3 LYS 84 2HZ LYS 84 -11.879 5.967 -1.414 671 H SER 85 H SER 85 -4.840 5.726 -6.983 672 HA SER 85 HA SER 85 -5.416 7.834 -8.901 673 HB2 SER 85 2HB SER 85 -2.581 7.534 -7.783 674 HB3 SER 85 3HB SER 85 -3.007 8.519 -9.184 675 HG SER 85 HG SER 85 -3.588 10.037 -7.862 676 H THR 86 H THR 86 -4.888 7.246 -11.000 677 HA THR 86 HA THR 86 -3.663 4.589 -11.486 678 HB THR 86 HB THR 86 -5.204 4.400 -13.481 679 HG1 THR 86 HG1 THR 86 -5.797 6.505 -13.869 680 HG21 THR 86 3HG2 THR 86 -6.657 4.742 -10.828 681 HG22 THR 86 1HG2 THR 86 -5.877 3.270 -11.406 682 HG23 THR 86 2HG2 THR 86 -7.292 3.899 -12.245 683 H ASP 87 H ASP 87 -1.604 5.419 -11.960 684 HA ASP 87 HA ASP 87 -1.109 6.342 -14.577 685 HB2 ASP 87 2HB ASP 87 -1.847 8.538 -13.656 686 HB3 ASP 87 3HB ASP 87 -0.601 8.439 -12.417 687 HA PRO 88 HA PRO 88 2.494 3.918 -13.501 688 HB2 PRO 88 2HB PRO 88 3.909 5.419 -15.688 689 HB3 PRO 88 3HB PRO 88 3.673 3.674 -15.479 690 HG2 PRO 88 2HG PRO 88 2.307 5.121 -17.282 691 HG3 PRO 88 3HG PRO 88 1.617 3.690 -16.487 692 HD2 PRO 88 2HD PRO 88 1.021 6.575 -16.052 693 HD3 PRO 88 3HD PRO 88 -0.025 5.156 -15.830 694 H GLU 89 H GLU 89 3.075 7.409 -14.136 695 HA GLU 89 HA GLU 89 5.625 7.256 -12.650 696 HB2 GLU 89 2HB GLU 89 6.234 9.384 -13.461 697 HB3 GLU 89 3HB GLU 89 5.477 8.578 -14.827 698 HG2 GLU 89 2HG GLU 89 3.440 9.894 -14.519 699 HG3 GLU 89 3HG GLU 89 4.106 10.635 -13.065 700 H GLU 90 H GLU 90 2.329 8.400 -12.215 701 HA GLU 90 HA GLU 90 2.798 10.199 -10.056 702 HB2 GLU 90 2HB GLU 90 0.704 10.199 -11.381 703 HB3 GLU 90 3HB GLU 90 0.299 8.604 -10.768 704 HG2 GLU 90 2HG GLU 90 -1.040 10.154 -9.569 705 HG3 GLU 90 3HG GLU 90 0.203 9.598 -8.456 706 H LEU 91 H LEU 91 1.783 6.813 -10.211 707 HA LEU 91 HA LEU 91 1.538 6.402 -7.416 708 HB2 LEU 91 2HB LEU 91 1.937 4.398 -9.663 709 HB3 LEU 91 3HB LEU 91 1.589 3.946 -8.003 710 HG LEU 91 HG LEU 91 -0.265 5.511 -9.849 711 HD11 LEU 91 1HD1 LEU 91 -1.683 3.504 -9.788 712 HD12 LEU 91 2HD1 LEU 91 -0.490 2.671 -8.787 713 HD13 LEU 91 3HD1 LEU 91 -0.088 3.133 -10.442 714 HD21 LEU 91 3HD2 LEU 91 -0.542 6.274 -7.534 715 HD22 LEU 91 1HD2 LEU 91 -0.727 4.609 -6.978 716 HD23 LEU 91 2HD2 LEU 91 -1.940 5.331 -8.037 717 H THR 92 H THR 92 4.233 5.787 -9.703 718 HA THR 92 HA THR 92 5.956 4.491 -7.864 719 HB THR 92 HB THR 92 6.664 5.998 -10.423 720 HG1 THR 92 HG1 THR 92 5.226 4.067 -10.483 721 HG21 THR 92 3HG2 THR 92 8.331 3.982 -8.857 722 HG22 THR 92 1HG2 THR 92 8.682 5.702 -9.028 723 HG23 THR 92 2HG2 THR 92 8.741 4.647 -10.441 724 H GLN 93 H GLN 93 5.641 7.935 -8.812 725 HA GLN 93 HA GLN 93 7.949 8.831 -7.423 726 HB2 GLN 93 2HB GLN 93 7.231 11.083 -7.830 727 HB3 GLN 93 3HB GLN 93 6.836 10.136 -9.256 728 HG2 GLN 93 2HG GLN 93 4.471 10.049 -8.511 729 HG3 GLN 93 3HG GLN 93 4.888 11.044 -7.118 730 HE21 GLN 93 1HE2 GLN 93 5.343 13.256 -7.443 731 HE22 GLN 93 2HE2 GLN 93 4.907 14.072 -8.902 732 H ARG 94 H ARG 94 4.542 8.473 -6.485 733 HA ARG 94 HA ARG 94 4.828 9.781 -3.938 734 HB2 ARG 94 2HB ARG 94 2.610 7.910 -4.874 735 HB3 ARG 94 3HB ARG 94 2.565 8.888 -3.407 736 HG2 ARG 94 2HG ARG 94 2.638 9.907 -6.259 737 HG3 ARG 94 3HG ARG 94 1.258 9.947 -5.164 738 HD2 ARG 94 2HD ARG 94 2.294 11.623 -3.784 739 HD3 ARG 94 3HD ARG 94 3.864 11.404 -4.576 740 HE ARG 94 HE ARG 94 1.726 12.228 -6.334 741 HH11 ARG 94 1HH1 ARG 94 4.276 13.423 -4.209 742 HH12 ARG 94 2HH1 ARG 94 4.360 14.956 -5.017 743 HH21 ARG 94 1HH2 ARG 94 1.976 14.148 -7.435 744 HH22 ARG 94 2HH2 ARG 94 3.064 15.364 -6.840 745 H VAL 95 H VAL 95 4.939 6.400 -5.001 746 HA VAL 95 HA VAL 95 5.160 5.085 -2.537 747 HB VAL 95 HB VAL 95 6.262 4.402 -5.303 748 HG11 VAL 95 1HG1 VAL 95 7.790 3.299 -3.735 749 HG12 VAL 95 2HG1 VAL 95 6.771 2.101 -4.528 750 HG13 VAL 95 3HG1 VAL 95 6.434 2.583 -2.866 751 HG21 VAL 95 3HG2 VAL 95 4.479 2.686 -5.307 752 HG22 VAL 95 1HG2 VAL 95 3.818 4.299 -5.049 753 HG23 VAL 95 2HG2 VAL 95 3.980 3.190 -3.689 754 H ARG 96 H ARG 96 7.718 6.445 -4.615 755 HA ARG 96 HA ARG 96 9.850 5.519 -2.950 756 HB2 ARG 96 2HB ARG 96 11.339 6.709 -4.494 757 HB3 ARG 96 3HB ARG 96 10.178 5.698 -5.338 758 HG2 ARG 96 2HG ARG 96 8.861 7.719 -5.898 759 HG3 ARG 96 3HG ARG 96 10.080 8.713 -5.095 760 HD2 ARG 96 2HD ARG 96 10.578 6.904 -7.495 761 HD3 ARG 96 3HD ARG 96 10.400 8.659 -7.550 762 HE ARG 96 HE ARG 96 12.434 8.790 -6.148 763 HH11 ARG 96 1HH1 ARG 96 11.963 5.851 -8.035 764 HH12 ARG 96 2HH1 ARG 96 13.650 5.471 -8.072 765 HH21 ARG 96 1HH2 ARG 96 14.613 8.257 -6.170 766 HH22 ARG 96 2HH2 ARG 96 15.162 6.841 -7.008 767 H GLU 97 H GLU 97 8.297 8.732 -3.377 768 HA GLU 97 HA GLU 97 10.113 10.094 -1.604 769 HB2 GLU 97 2HB GLU 97 8.638 12.026 -1.754 770 HB3 GLU 97 3HB GLU 97 8.847 11.328 -3.354 771 HG2 GLU 97 2HG GLU 97 6.618 10.216 -3.103 772 HG3 GLU 97 3HG GLU 97 6.430 11.040 -1.559 773 H PHE 98 H PHE 98 7.148 8.268 -1.162 774 HA PHE 98 HA PHE 98 6.465 9.111 1.462 775 HB2 PHE 98 2HB PHE 98 4.920 7.836 -0.005 776 HB3 PHE 98 3HB PHE 98 5.970 6.430 0.076 777 HD1 PHE 98 HD1 PHE 98 3.524 8.493 1.919 778 HD2 PHE 98 HD2 PHE 98 5.993 5.003 2.081 779 HE1 PHE 98 HE1 PHE 98 2.288 7.704 3.893 780 HE2 PHE 98 HE2 PHE 98 4.747 4.221 4.051 781 HZ PHE 98 HZ PHE 98 2.896 5.569 4.951 782 H LEU 99 H LEU 99 8.327 6.327 0.240 783 HA LEU 99 HA LEU 99 9.113 5.283 2.769 784 HB2 LEU 99 2HB LEU 99 10.417 4.973 0.034 785 HB3 LEU 99 3HB LEU 99 10.817 4.002 1.443 786 HG LEU 99 HG LEU 99 8.108 4.040 0.049 787 HD11 LEU 99 1HD1 LEU 99 10.268 1.901 -0.013 788 HD12 LEU 99 2HD1 LEU 99 9.793 2.951 -1.350 789 HD13 LEU 99 3HD1 LEU 99 8.655 1.764 -0.719 790 HD21 LEU 99 3HD2 LEU 99 7.832 3.602 2.433 791 HD22 LEU 99 1HD2 LEU 99 9.064 2.337 2.380 792 HD23 LEU 99 2HD2 LEU 99 7.536 2.125 1.520 793 H LYS 100 H LYS 100 10.278 7.901 0.863 794 HA LYS 100 HA LYS 100 12.949 8.066 1.930 795 HB2 LYS 100 2HB LYS 100 12.386 8.838 -0.365 796 HB3 LYS 100 3HB LYS 100 11.317 10.064 0.297 797 HG2 LYS 100 2HG LYS 100 13.430 11.042 -0.445 798 HG3 LYS 100 3HG LYS 100 13.224 11.236 1.295 799 HD2 LYS 100 2HD LYS 100 15.538 10.638 0.748 800 HD3 LYS 100 3HD LYS 100 14.778 9.371 1.709 801 HE2 LYS 100 2HE LYS 100 14.431 8.035 -0.349 802 HE3 LYS 100 3HE LYS 100 15.205 9.306 -1.303 803 HZ1 LYS 100 3HZ LYS 100 16.744 7.510 -0.773 804 HZ2 LYS 100 1HZ LYS 100 16.496 7.752 0.882 805 HZ3 LYS 100 2HZ LYS 100 17.244 8.952 -0.043 806 H THR 101 H THR 101 9.814 9.709 2.572 807 HA THR 101 HA THR 101 11.085 11.618 4.419 808 HB THR 101 HB THR 101 8.742 12.641 4.446 809 HG1 THR 101 HG1 THR 101 8.018 11.338 2.126 810 HG21 THR 101 3HG2 THR 101 10.053 12.367 1.707 811 HG22 THR 101 1HG2 THR 101 10.467 13.567 2.936 812 HG23 THR 101 2HG2 THR 101 8.881 13.604 2.164 813 H ALA 102 H ALA 102 8.602 9.059 4.410 814 HA ALA 102 HA ALA 102 7.897 9.286 7.176 815 HB1 ALA 102 3HB ALA 102 6.338 8.365 5.510 816 HB2 ALA 102 1HB ALA 102 6.620 7.217 6.822 817 HB3 ALA 102 2HB ALA 102 7.407 6.985 5.256 818 H GLY 103 H GLY 103 10.467 7.689 5.488 819 HA2 GLY 103 2HA GLY 103 11.261 5.844 7.531 820 HA3 GLY 103 3HA GLY 103 12.257 6.445 6.215 821 H SER 104 H SER 104 11.325 9.226 7.451 822 HA SER 104 HA SER 104 13.223 9.398 9.692 823 HB2 SER 104 2HB SER 104 13.988 11.644 8.661 824 HB3 SER 104 3HB SER 104 14.545 10.181 7.847 825 HG SER 104 HG SER 104 12.144 11.370 6.995 826 H LEU 105 H LEU 105 11.426 9.471 11.090 827 HA LEU 105 HA LEU 105 9.654 11.829 10.961 828 HB2 LEU 105 2HB LEU 105 9.569 9.386 12.781 829 HB3 LEU 105 3HB LEU 105 8.382 10.683 12.778 830 HG LEU 105 HG LEU 105 8.900 8.729 10.494 831 HD11 LEU 105 1HD1 LEU 105 6.677 7.817 10.999 832 HD12 LEU 105 2HD1 LEU 105 6.531 8.906 12.382 833 HD13 LEU 105 3HD1 LEU 105 7.774 7.653 12.372 834 HD21 LEU 105 3HD2 LEU 105 6.937 9.736 9.385 835 HD22 LEU 105 1HD2 LEU 105 8.241 10.905 9.594 836 HD23 LEU 105 2HD2 LEU 105 6.834 10.955 10.659 837 H GLU 106 H GLU 106 11.736 13.010 11.341 838 HA GLU 106 HA GLU 106 13.065 13.091 13.825 839 HB2 GLU 106 2HB GLU 106 13.671 14.190 11.512 840 HB3 GLU 106 3HB GLU 106 12.692 15.541 12.055 841 HG2 GLU 106 2HG GLU 106 15.139 14.475 13.511 842 HG3 GLU 106 3HG GLU 106 15.156 15.829 12.388 843 H HIS 107 H HIS 107 10.354 15.030 12.561 844 HA HIS 107 HA HIS 107 9.562 15.844 15.267 845 HB2 HIS 107 2HB HIS 107 7.696 17.085 13.976 846 HB3 HIS 107 3HB HIS 107 9.339 17.678 13.803 847 HD1 HIS 107 HD1 HIS 107 10.040 18.148 11.467 848 HD2 HIS 107 HD2 HIS 107 6.897 15.429 11.594 849 HE1 HIS 107 HE1 HIS 107 9.401 17.724 9.074 850 HE2 HIS 107 HE2 HIS 107 7.523 16.070 9.172 851 H HIS 108 H HIS 108 8.988 13.889 16.167 852 HA HIS 108 HA HIS 108 7.187 12.070 14.778 853 HB2 HIS 108 2HB HIS 108 9.217 11.339 16.177 854 HB3 HIS 108 3HB HIS 108 8.264 11.734 17.607 855 HD1 HIS 108 HD1 HIS 108 6.317 10.113 18.205 856 HD2 HIS 108 HD2 HIS 108 8.354 9.063 14.734 857 HE1 HIS 108 HE1 HIS 108 5.538 7.795 17.629 858 HE2 HIS 108 HE2 HIS 108 6.774 7.185 15.526 859 H HIS 109 H HIS 109 5.032 11.961 15.087 860 HA HIS 109 HA HIS 109 3.764 13.100 17.493 861 HB2 HIS 109 2HB HIS 109 3.093 13.849 14.616 862 HB3 HIS 109 3HB HIS 109 1.940 14.065 15.929 863 HD1 HIS 109 HD1 HIS 109 2.336 15.996 17.551 864 HD2 HIS 109 HD2 HIS 109 5.315 15.643 14.667 865 HE1 HIS 109 HE1 HIS 109 3.683 18.105 17.713 866 HE2 HIS 109 HE2 HIS 109 5.574 17.794 16.091 867 H HIS 110 H HIS 110 1.351 12.544 17.482 868 HA HIS 110 HA HIS 110 1.257 9.626 17.328 869 HB2 HIS 110 2HB HIS 110 -0.727 11.584 18.570 870 HB3 HIS 110 3HB HIS 110 -0.751 9.833 18.753 871 HD1 HIS 110 HD1 HIS 110 0.808 8.817 20.532 872 HD2 HIS 110 HD2 HIS 110 1.311 12.918 20.040 873 HE1 HIS 110 HE1 HIS 110 2.234 9.562 22.459 874 HE2 HIS 110 HE2 HIS 110 2.375 12.061 22.233 875 H HIS 111 H HIS 111 -0.118 8.438 16.069 876 HA HIS 111 HA HIS 111 -2.425 9.704 14.745 877 HB2 HIS 111 2HB HIS 111 -0.348 7.957 13.350 878 HB3 HIS 111 3HB HIS 111 -1.956 8.248 12.687 879 HD1 HIS 111 HD1 HIS 111 -2.502 10.734 11.981 880 HD2 HIS 111 HD2 HIS 111 1.485 10.012 12.922 881 HE1 HIS 111 HE1 HIS 111 -1.237 12.725 11.133 882 HE2 HIS 111 HE2 HIS 111 1.171 12.267 11.690 883 H HIS 112 H HIS 112 -4.122 8.684 15.548 884 HA HIS 112 HA HIS 112 -4.404 5.813 15.545 885 HB2 HIS 112 2HB HIS 112 -3.161 6.141 17.691 886 HB3 HIS 112 3HB HIS 112 -4.386 7.277 18.244 887 HD1 HIS 112 HD1 HIS 112 -6.934 6.089 18.364 888 HD2 HIS 112 HD2 HIS 112 -3.609 3.594 18.546 889 HE1 HIS 112 HE1 HIS 112 -7.761 3.918 19.327 890 HE2 HIS 112 HE2 HIS 112 -5.740 2.436 19.440 Start of MODEL 8 1 H1 MET 1 1H MET 1 2.087 0.365 15.808 2 H2 MET 1 2H MET 1 2.949 0.105 14.383 3 H3 MET 1 3H MET 1 1.547 1.041 14.360 4 HA MET 1 HA MET 1 2.531 2.717 15.661 5 HB2 MET 1 2HB MET 1 3.975 1.146 16.999 6 HB3 MET 1 3HB MET 1 5.063 1.012 15.623 7 HG2 MET 1 2HG MET 1 5.943 2.579 17.297 8 HG3 MET 1 3HG MET 1 5.582 3.417 15.788 9 HE1 MET 1 3HE MET 1 2.996 2.249 18.603 10 HE2 MET 1 1HE MET 1 2.900 3.724 19.563 11 HE3 MET 1 2HE MET 1 4.397 2.795 19.527 12 H GLY 2 H GLY 2 4.361 0.798 13.233 13 HA2 GLY 2 2HA GLY 2 5.409 2.983 11.744 14 HA3 GLY 2 3HA GLY 2 5.263 1.321 11.189 15 H LYS 3 H LYS 3 4.876 3.429 9.431 16 HA LYS 3 HA LYS 3 1.947 3.644 9.061 17 HB2 LYS 3 2HB LYS 3 2.991 5.836 9.383 18 HB3 LYS 3 3HB LYS 3 4.139 5.522 8.081 19 HG2 LYS 3 2HG LYS 3 2.342 5.520 6.432 20 HG3 LYS 3 3HG LYS 3 1.124 5.652 7.696 21 HD2 LYS 3 2HD LYS 3 3.224 7.797 7.254 22 HD3 LYS 3 3HD LYS 3 1.707 7.768 6.352 23 HE2 LYS 3 2HE LYS 3 0.491 7.795 8.578 24 HE3 LYS 3 3HE LYS 3 2.054 8.073 9.353 25 HZ1 LYS 3 3HZ LYS 3 0.773 9.822 7.319 26 HZ2 LYS 3 1HZ LYS 3 2.289 10.087 8.023 27 HZ3 LYS 3 2HZ LYS 3 0.894 10.143 8.975 28 H VAL 4 H VAL 4 1.030 3.280 7.057 29 HA VAL 4 HA VAL 4 2.658 1.907 4.987 30 HB VAL 4 HB VAL 4 -0.309 1.493 5.618 31 HG11 VAL 4 1HG1 VAL 4 -0.154 -0.469 4.123 32 HG12 VAL 4 2HG1 VAL 4 1.535 -0.080 3.783 33 HG13 VAL 4 3HG1 VAL 4 0.256 1.021 3.267 34 HG21 VAL 4 3HG2 VAL 4 2.020 -0.329 6.346 35 HG22 VAL 4 1HG2 VAL 4 0.309 -0.689 6.600 36 HG23 VAL 4 2HG2 VAL 4 1.074 0.636 7.482 37 H LEU 5 H LEU 5 2.316 2.562 2.820 38 HA LEU 5 HA LEU 5 0.387 4.720 2.237 39 HB2 LEU 5 2HB LEU 5 2.750 5.079 1.539 40 HB3 LEU 5 3HB LEU 5 2.687 3.618 0.570 41 HG LEU 5 HG LEU 5 0.909 4.701 -0.867 42 HD11 LEU 5 1HD1 LEU 5 0.016 6.304 0.738 43 HD12 LEU 5 2HD1 LEU 5 0.544 7.123 -0.729 44 HD13 LEU 5 3HD1 LEU 5 1.539 7.199 0.730 45 HD21 LEU 5 3HD2 LEU 5 3.249 4.704 -1.584 46 HD22 LEU 5 1HD2 LEU 5 3.531 6.218 -0.718 47 HD23 LEU 5 2HD2 LEU 5 2.429 6.177 -2.098 48 H LEU 6 H LEU 6 -1.567 3.921 1.606 49 HA LEU 6 HA LEU 6 -1.790 1.216 0.502 50 HB2 LEU 6 2HB LEU 6 -3.217 1.935 2.434 51 HB3 LEU 6 3HB LEU 6 -3.950 3.156 1.404 52 HG LEU 6 HG LEU 6 -4.745 1.245 -0.116 53 HD11 LEU 6 1HD1 LEU 6 -3.201 -0.497 0.622 54 HD12 LEU 6 2HD1 LEU 6 -4.871 -1.016 0.837 55 HD13 LEU 6 3HD1 LEU 6 -3.924 -0.493 2.235 56 HD21 LEU 6 3HD2 LEU 6 -5.827 1.352 2.712 57 HD22 LEU 6 1HD2 LEU 6 -6.665 0.677 1.312 58 HD23 LEU 6 2HD2 LEU 6 -6.283 2.395 1.363 59 H VAL 7 H VAL 7 -1.320 1.324 -1.658 60 HA VAL 7 HA VAL 7 -2.201 3.544 -3.324 61 HB VAL 7 HB VAL 7 -0.483 1.118 -4.012 62 HG11 VAL 7 1HG1 VAL 7 -1.593 1.966 -6.033 63 HG12 VAL 7 2HG1 VAL 7 0.126 2.365 -6.083 64 HG13 VAL 7 3HG1 VAL 7 -1.055 3.609 -5.669 65 HG21 VAL 7 3HG2 VAL 7 0.337 3.995 -3.428 66 HG22 VAL 7 1HG2 VAL 7 1.428 2.704 -3.949 67 HG23 VAL 7 2HG2 VAL 7 0.622 2.601 -2.382 68 H ILE 8 H ILE 8 -4.225 3.423 -3.969 69 HA ILE 8 HA ILE 8 -5.435 0.957 -5.047 70 HB ILE 8 HB ILE 8 -6.845 3.570 -4.312 71 HG12 ILE 8 2HG1 ILE 8 -6.627 1.035 -2.621 72 HG13 ILE 8 3HG1 ILE 8 -5.826 2.565 -2.277 73 HG21 ILE 8 1HG2 ILE 8 -8.925 2.235 -4.396 74 HG22 ILE 8 2HG2 ILE 8 -8.000 0.805 -4.858 75 HG23 ILE 8 3HG2 ILE 8 -8.081 2.191 -5.946 76 HD11 ILE 8 3HD1 ILE 8 -8.796 2.050 -2.260 77 HD12 ILE 8 1HD1 ILE 8 -8.032 3.622 -2.000 78 HD13 ILE 8 2HD1 ILE 8 -7.743 2.303 -0.869 79 H SER 9 H SER 9 -6.141 0.955 -7.176 80 HA SER 9 HA SER 9 -6.432 3.357 -8.760 81 HB2 SER 9 2HB SER 9 -3.984 2.907 -8.994 82 HB3 SER 9 3HB SER 9 -4.340 1.278 -9.551 83 HG SER 9 HG SER 9 -4.345 3.616 -10.911 84 H THR 10 H THR 10 -7.734 2.993 -10.557 85 HA THR 10 HA THR 10 -9.529 0.800 -10.527 86 HB THR 10 HB THR 10 -9.031 2.788 -12.794 87 HG1 THR 10 HG1 THR 10 -10.664 4.024 -11.744 88 HG21 THR 10 3HG2 THR 10 -10.512 0.897 -13.463 89 HG22 THR 10 1HG2 THR 10 -11.402 2.422 -13.383 90 HG23 THR 10 2HG2 THR 10 -11.560 1.239 -12.084 91 H ASP 11 H ASP 11 -6.439 1.277 -12.047 92 HA ASP 11 HA ASP 11 -6.883 -0.913 -14.002 93 HB2 ASP 11 2HB ASP 11 -6.248 1.448 -14.833 94 HB3 ASP 11 3HB ASP 11 -4.668 1.178 -14.114 95 H THR 12 H THR 12 -6.307 -2.709 -12.947 96 HA THR 12 HA THR 12 -4.394 -2.990 -10.901 97 HB THR 12 HB THR 12 -5.521 -5.181 -12.702 98 HG1 THR 12 HG1 THR 12 -7.307 -5.125 -11.448 99 HG21 THR 12 3HG2 THR 12 -4.538 -5.306 -9.819 100 HG22 THR 12 1HG2 THR 12 -3.692 -5.976 -11.218 101 HG23 THR 12 2HG2 THR 12 -5.248 -6.644 -10.724 102 H ASN 13 H ASN 13 -4.047 -3.028 -14.381 103 HA ASN 13 HA ASN 13 -1.510 -4.395 -14.489 104 HB2 ASN 13 2HB ASN 13 -2.718 -2.531 -16.587 105 HB3 ASN 13 3HB ASN 13 -1.395 -3.676 -16.832 106 HD21 ASN 13 1HD2 ASN 13 -4.843 -3.315 -16.419 107 HD22 ASN 13 2HD2 ASN 13 -5.261 -4.929 -16.886 108 H ILE 14 H ILE 14 -2.604 -1.017 -14.166 109 HA ILE 14 HA ILE 14 -0.001 0.196 -14.404 110 HB ILE 14 HB ILE 14 -2.580 1.214 -13.122 111 HG12 ILE 14 2HG1 ILE 14 -2.590 0.978 -15.625 112 HG13 ILE 14 3HG1 ILE 14 -2.800 2.641 -15.101 113 HG21 ILE 14 1HG2 ILE 14 -1.540 3.478 -13.030 114 HG22 ILE 14 2HG2 ILE 14 0.006 2.771 -13.505 115 HG23 ILE 14 3HG2 ILE 14 -0.730 2.325 -11.964 116 HD11 ILE 14 3HD1 ILE 14 -1.367 2.481 -17.039 117 HD12 ILE 14 1HD1 ILE 14 -0.245 1.438 -16.165 118 HD13 ILE 14 2HD1 ILE 14 -0.475 3.118 -15.659 119 H ILE 15 H ILE 15 -2.019 -0.917 -11.689 120 HA ILE 15 HA ILE 15 -0.363 -0.385 -9.503 121 HB ILE 15 HB ILE 15 -2.308 -2.692 -9.973 122 HG12 ILE 15 2HG1 ILE 15 -2.620 -0.055 -8.466 123 HG13 ILE 15 3HG1 ILE 15 -3.357 -0.466 -10.010 124 HG21 ILE 15 1HG2 ILE 15 -1.057 -1.892 -7.321 125 HG22 ILE 15 2HG2 ILE 15 -0.738 -3.381 -8.211 126 HG23 ILE 15 3HG2 ILE 15 -2.340 -3.089 -7.534 127 HD11 ILE 15 3HD1 ILE 15 -4.985 -0.591 -8.247 128 HD12 ILE 15 1HD1 ILE 15 -3.979 -1.720 -7.337 129 HD13 ILE 15 2HD1 ILE 15 -4.686 -2.210 -8.881 130 H SER 16 H SER 16 -0.372 -3.157 -11.731 131 HA SER 16 HA SER 16 1.582 -4.724 -10.385 132 HB2 SER 16 2HB SER 16 -0.107 -5.674 -11.953 133 HB3 SER 16 3HB SER 16 0.698 -4.866 -13.296 134 HG SER 16 HG SER 16 1.778 -6.869 -11.602 135 H SER 17 H SER 17 1.758 -2.417 -13.103 136 HA SER 17 HA SER 17 4.461 -2.790 -13.810 137 HB2 SER 17 2HB SER 17 2.697 -0.329 -14.122 138 HB3 SER 17 3HB SER 17 4.266 -0.545 -14.901 139 HG SER 17 HG SER 17 1.846 -1.871 -15.387 140 H VAL 18 H VAL 18 2.942 -0.376 -11.705 141 HA VAL 18 HA VAL 18 5.289 1.003 -10.910 142 HB VAL 18 HB VAL 18 2.574 0.815 -9.537 143 HG11 VAL 18 1HG1 VAL 18 4.288 1.598 -7.945 144 HG12 VAL 18 2HG1 VAL 18 3.188 2.907 -8.367 145 HG13 VAL 18 3HG1 VAL 18 4.795 2.843 -9.089 146 HG21 VAL 18 3HG2 VAL 18 2.075 2.940 -10.679 147 HG22 VAL 18 1HG2 VAL 18 2.474 1.686 -11.855 148 HG23 VAL 18 2HG2 VAL 18 3.665 2.920 -11.443 149 H GLN 19 H GLN 19 3.450 -1.626 -9.465 150 HA GLN 19 HA GLN 19 4.647 -2.032 -7.017 151 HB2 GLN 19 2HB GLN 19 2.677 -3.254 -7.873 152 HB3 GLN 19 3HB GLN 19 3.692 -4.111 -9.026 153 HG2 GLN 19 2HG GLN 19 4.895 -5.144 -7.071 154 HG3 GLN 19 3HG GLN 19 3.712 -4.378 -6.009 155 HE21 GLN 19 1HE2 GLN 19 1.468 -4.801 -7.893 156 HE22 GLN 19 2HE2 GLN 19 1.112 -6.487 -7.823 157 H GLU 20 H GLU 20 5.567 -3.467 -10.151 158 HA GLU 20 HA GLU 20 7.896 -4.760 -9.152 159 HB2 GLU 20 2HB GLU 20 6.869 -4.267 -11.961 160 HB3 GLU 20 3HB GLU 20 8.357 -5.157 -11.634 161 HG2 GLU 20 2HG GLU 20 5.598 -5.929 -10.616 162 HG3 GLU 20 3HG GLU 20 6.415 -6.649 -12.005 163 H ARG 21 H ARG 21 7.359 -1.598 -10.712 164 HA ARG 21 HA ARG 21 10.030 -0.919 -11.345 165 HB2 ARG 21 2HB ARG 21 7.704 0.844 -10.464 166 HB3 ARG 21 3HB ARG 21 9.260 1.502 -10.963 167 HG2 ARG 21 2HG ARG 21 8.953 0.588 -13.218 168 HG3 ARG 21 3HG ARG 21 7.421 -0.147 -12.733 169 HD2 ARG 21 2HD ARG 21 6.490 2.082 -12.256 170 HD3 ARG 21 3HD ARG 21 8.026 2.831 -12.694 171 HE ARG 21 HE ARG 21 6.893 1.247 -14.804 172 HH11 ARG 21 1HH1 ARG 21 6.786 4.438 -13.304 173 HH12 ARG 21 2HH1 ARG 21 6.194 5.213 -14.739 174 HH21 ARG 21 1HH2 ARG 21 6.115 2.282 -16.658 175 HH22 ARG 21 2HH2 ARG 21 5.812 3.994 -16.638 176 H ALA 22 H ALA 22 8.114 -0.473 -8.433 177 HA ALA 22 HA ALA 22 10.103 0.859 -6.865 178 HB1 ALA 22 3HB ALA 22 8.459 0.619 -5.039 179 HB2 ALA 22 1HB ALA 22 7.498 -0.467 -6.047 180 HB3 ALA 22 2HB ALA 22 7.699 1.225 -6.515 181 H LYS 23 H LYS 23 9.025 -2.485 -7.264 182 HA LYS 23 HA LYS 23 10.591 -3.583 -5.115 183 HB2 LYS 23 2HB LYS 23 9.026 -4.833 -7.401 184 HB3 LYS 23 3HB LYS 23 9.993 -5.819 -6.305 185 HG2 LYS 23 2HG LYS 23 8.686 -5.088 -4.396 186 HG3 LYS 23 3HG LYS 23 7.795 -3.945 -5.393 187 HD2 LYS 23 2HD LYS 23 6.321 -5.766 -5.046 188 HD3 LYS 23 3HD LYS 23 6.904 -5.945 -6.699 189 HE2 LYS 23 2HE LYS 23 8.071 -7.465 -4.344 190 HE3 LYS 23 3HE LYS 23 6.755 -8.080 -5.341 191 HZ1 LYS 23 3HZ LYS 23 8.775 -8.982 -6.130 192 HZ2 LYS 23 1HZ LYS 23 9.515 -7.464 -6.213 193 HZ3 LYS 23 2HZ LYS 23 8.257 -7.849 -7.274 194 H HIS 24 H HIS 24 11.302 -2.775 -8.459 195 HA HIS 24 HA HIS 24 13.767 -4.294 -8.520 196 HB2 HIS 24 2HB HIS 24 12.711 -2.114 -10.381 197 HB3 HIS 24 3HB HIS 24 14.221 -2.983 -10.646 198 HD1 HIS 24 HD1 HIS 24 11.341 -2.976 -12.299 199 HD2 HIS 24 HD2 HIS 24 13.101 -6.046 -10.136 200 HE1 HIS 24 HE1 HIS 24 10.364 -5.089 -13.220 201 HE2 HIS 24 HE2 HIS 24 11.592 -6.933 -12.029 202 H ASN 25 H ASN 25 12.768 -0.990 -7.709 203 HA ASN 25 HA ASN 25 15.490 0.005 -7.475 204 HB2 ASN 25 2HB ASN 25 12.770 1.281 -7.060 205 HB3 ASN 25 3HB ASN 25 14.226 2.082 -6.474 206 HD21 ASN 25 1HD2 ASN 25 12.425 1.169 -9.304 207 HD22 ASN 25 2HD2 ASN 25 13.375 2.050 -10.441 208 H TYR 26 H TYR 26 13.141 -1.411 -5.331 209 HA TYR 26 HA TYR 26 14.829 -0.768 -2.969 210 HB2 TYR 26 2HB TYR 26 11.807 -1.151 -3.204 211 HB3 TYR 26 3HB TYR 26 12.636 -1.229 -1.651 212 HD1 TYR 26 HD2 TYR 26 11.694 1.019 -4.455 213 HD2 TYR 26 HD1 TYR 26 13.511 0.787 -0.583 214 HE1 TYR 26 HE2 TYR 26 11.658 3.470 -4.286 215 HE2 TYR 26 HE1 TYR 26 13.479 3.233 -0.425 216 HH TYR 26 HH TYR 26 13.381 5.164 -1.857 217 HA PRO 27 HA PRO 27 15.590 -5.143 -2.170 218 HB2 PRO 27 2HB PRO 27 14.927 -5.370 0.556 219 HB3 PRO 27 3HB PRO 27 16.475 -4.751 -0.060 220 HG2 PRO 27 2HG PRO 27 14.044 -3.210 0.818 221 HG3 PRO 27 3HG PRO 27 15.761 -2.911 1.186 222 HD2 PRO 27 2HD PRO 27 14.551 -1.458 -0.693 223 HD3 PRO 27 3HD PRO 27 16.209 -2.036 -0.965 224 H GLY 28 H GLY 28 12.438 -3.784 -1.535 225 HA2 GLY 28 2HA GLY 28 10.460 -4.711 -2.416 226 HA3 GLY 28 3HA GLY 28 11.159 -6.320 -2.322 227 H ARG 29 H ARG 29 11.996 -5.210 0.564 228 HA ARG 29 HA ARG 29 9.920 -6.479 2.034 229 HB2 ARG 29 2HB ARG 29 11.146 -5.772 4.043 230 HB3 ARG 29 3HB ARG 29 12.275 -6.373 2.836 231 HG2 ARG 29 2HG ARG 29 12.822 -4.031 2.224 232 HG3 ARG 29 3HG ARG 29 11.730 -3.466 3.489 233 HD2 ARG 29 2HD ARG 29 13.934 -3.350 4.377 234 HD3 ARG 29 3HD ARG 29 13.154 -4.731 5.150 235 HE ARG 29 HE ARG 29 14.400 -6.002 3.212 236 HH11 ARG 29 1HH1 ARG 29 15.654 -3.382 5.215 237 HH12 ARG 29 2HH1 ARG 29 17.295 -3.924 5.087 238 HH21 ARG 29 1HH2 ARG 29 16.563 -6.660 3.021 239 HH22 ARG 29 2HH2 ARG 29 17.812 -5.783 3.843 240 H TYR 30 H TYR 30 10.422 -3.199 0.999 241 HA TYR 30 HA TYR 30 8.552 -1.965 2.832 242 HB2 TYR 30 2HB TYR 30 10.107 -0.903 0.440 243 HB3 TYR 30 3HB TYR 30 8.989 0.090 1.367 244 HD1 TYR 30 HD1 TYR 30 9.513 0.753 3.691 245 HD2 TYR 30 HD2 TYR 30 12.279 -1.547 1.386 246 HE1 TYR 30 HE1 TYR 30 11.271 1.245 5.330 247 HE2 TYR 30 HE2 TYR 30 14.034 -1.078 3.031 248 HH TYR 30 HH TYR 30 14.577 0.594 4.748 249 H ILE 31 H ILE 31 8.466 -3.289 -0.404 250 HA ILE 31 HA ILE 31 5.763 -2.190 -0.867 251 HB ILE 31 HB ILE 31 7.703 -3.507 -2.822 252 HG12 ILE 31 2HG1 ILE 31 7.445 -1.229 -4.022 253 HG13 ILE 31 3HG1 ILE 31 6.684 -0.637 -2.553 254 HG21 ILE 31 1HG2 ILE 31 5.441 -4.225 -3.400 255 HG22 ILE 31 2HG2 ILE 31 5.990 -3.038 -4.584 256 HG23 ILE 31 3HG2 ILE 31 4.855 -2.561 -3.320 257 HD11 ILE 31 3HD1 ILE 31 8.756 -1.045 -1.330 258 HD12 ILE 31 1HD1 ILE 31 9.002 0.027 -2.706 259 HD13 ILE 31 2HD1 ILE 31 9.510 -1.660 -2.804 260 H ARG 32 H ARG 32 4.130 -3.447 -0.508 261 HA ARG 32 HA ARG 32 4.242 -6.368 -0.716 262 HB2 ARG 32 2HB ARG 32 4.459 -5.365 1.736 263 HB3 ARG 32 3HB ARG 32 2.743 -5.005 1.562 264 HG2 ARG 32 2HG ARG 32 2.258 -7.390 1.246 265 HG3 ARG 32 3HG ARG 32 3.981 -7.770 1.320 266 HD2 ARG 32 2HD ARG 32 3.926 -6.701 3.676 267 HD3 ARG 32 3HD ARG 32 2.168 -6.814 3.551 268 HE ARG 32 HE ARG 32 4.025 -8.927 4.059 269 HH11 ARG 32 1HH1 ARG 32 0.808 -8.331 2.741 270 HH12 ARG 32 2HH1 ARG 32 0.283 -9.955 3.021 271 HH21 ARG 32 1HH2 ARG 32 3.334 -11.034 4.340 272 HH22 ARG 32 2HH2 ARG 32 1.713 -11.484 3.925 273 H THR 33 H THR 33 2.051 -7.249 -1.096 274 HA THR 33 HA THR 33 0.049 -5.251 -1.998 275 HB THR 33 HB THR 33 -0.815 -7.130 -3.521 276 HG1 THR 33 HG1 THR 33 1.754 -8.238 -2.952 277 HG21 THR 33 3HG2 THR 33 0.460 -5.254 -4.458 278 HG22 THR 33 1HG2 THR 33 0.893 -6.758 -5.274 279 HG23 THR 33 2HG2 THR 33 1.977 -6.066 -4.066 280 H ALA 34 H ALA 34 -2.097 -5.625 -1.529 281 HA ALA 34 HA ALA 34 -2.743 -7.770 0.400 282 HB1 ALA 34 3HB ALA 34 -3.177 -5.514 1.255 283 HB2 ALA 34 1HB ALA 34 -4.687 -6.394 1.012 284 HB3 ALA 34 2HB ALA 34 -4.188 -5.154 -0.147 285 H THR 35 H THR 35 -3.764 -9.423 -0.483 286 HA THR 35 HA THR 35 -5.430 -9.114 -2.910 287 HB THR 35 HB THR 35 -4.193 -11.602 -1.658 288 HG1 THR 35 HG1 THR 35 -3.363 -9.772 -3.586 289 HG21 THR 35 3HG2 THR 35 -4.846 -12.758 -3.747 290 HG22 THR 35 1HG2 THR 35 -5.705 -11.311 -4.283 291 HG23 THR 35 2HG2 THR 35 -6.259 -12.192 -2.852 292 H SER 36 H SER 36 -5.490 -10.047 0.457 293 HA SER 36 HA SER 36 -8.426 -10.339 0.393 294 HB2 SER 36 2HB SER 36 -7.532 -12.639 0.396 295 HB3 SER 36 3HB SER 36 -6.474 -12.263 1.756 296 HG SER 36 HG SER 36 -8.886 -13.219 1.885 297 H SER 37 H SER 37 -9.395 -9.995 2.496 298 HA SER 37 HA SER 37 -8.236 -7.979 4.136 299 HB2 SER 37 2HB SER 37 -10.223 -8.445 5.639 300 HB3 SER 37 3HB SER 37 -10.654 -8.122 3.961 301 HG SER 37 HG SER 37 -11.282 -10.145 3.705 302 H GLN 38 H GLN 38 -8.192 -11.474 4.197 303 HA GLN 38 HA GLN 38 -7.124 -11.901 6.790 304 HB2 GLN 38 2HB GLN 38 -6.710 -13.541 4.249 305 HB3 GLN 38 3HB GLN 38 -6.356 -14.089 5.887 306 HG2 GLN 38 2HG GLN 38 -9.097 -13.440 4.757 307 HG3 GLN 38 3HG GLN 38 -8.445 -15.047 5.076 308 HE21 GLN 38 1HE2 GLN 38 -9.768 -12.157 6.501 309 HE22 GLN 38 2HE2 GLN 38 -10.015 -12.808 8.081 310 H ASP 39 H ASP 39 -5.582 -11.559 3.564 311 HA ASP 39 HA ASP 39 -2.900 -11.641 4.273 312 HB2 ASP 39 2HB ASP 39 -3.921 -11.710 1.946 313 HB3 ASP 39 3HB ASP 39 -4.170 -9.976 2.051 314 H ILE 40 H ILE 40 -5.096 -8.881 4.001 315 HA ILE 40 HA ILE 40 -3.491 -6.744 4.694 316 HB ILE 40 HB ILE 40 -6.452 -7.253 5.117 317 HG12 ILE 40 2HG1 ILE 40 -4.901 -5.435 3.226 318 HG13 ILE 40 3HG1 ILE 40 -5.658 -6.963 2.803 319 HG21 ILE 40 1HG2 ILE 40 -6.788 -4.872 5.702 320 HG22 ILE 40 2HG2 ILE 40 -5.038 -4.653 5.776 321 HG23 ILE 40 3HG2 ILE 40 -5.841 -5.721 6.925 322 HD11 ILE 40 3HD1 ILE 40 -6.967 -5.150 1.993 323 HD12 ILE 40 1HD1 ILE 40 -7.049 -4.419 3.595 324 HD13 ILE 40 2HD1 ILE 40 -7.855 -5.959 3.284 325 H ARG 41 H ARG 41 -5.433 -8.768 6.932 326 HA ARG 41 HA ARG 41 -4.691 -7.537 9.331 327 HB2 ARG 41 2HB ARG 41 -5.509 -10.415 8.761 328 HB3 ARG 41 3HB ARG 41 -5.260 -9.798 10.398 329 HG2 ARG 41 2HG ARG 41 -7.027 -8.150 10.090 330 HG3 ARG 41 3HG ARG 41 -7.252 -8.660 8.414 331 HD2 ARG 41 2HD ARG 41 -8.043 -10.840 9.133 332 HD3 ARG 41 3HD ARG 41 -7.670 -10.458 10.823 333 HE ARG 41 HE ARG 41 -9.397 -8.479 9.891 334 HH11 ARG 41 1HH1 ARG 41 -9.570 -11.943 10.477 335 HH12 ARG 41 2HH1 ARG 41 -11.272 -11.913 10.810 336 HH21 ARG 41 1HH2 ARG 41 -11.588 -8.451 10.365 337 HH22 ARG 41 2HH2 ARG 41 -12.417 -9.928 10.746 338 H ASP 42 H ASP 42 -3.128 -10.175 7.528 339 HA ASP 42 HA ASP 42 -1.044 -10.822 9.291 340 HB2 ASP 42 2HB ASP 42 -1.686 -12.185 7.296 341 HB3 ASP 42 3HB ASP 42 -1.058 -10.930 6.237 342 H ILE 43 H ILE 43 -1.319 -8.204 6.878 343 HA ILE 43 HA ILE 43 1.345 -7.198 7.100 344 HB ILE 43 HB ILE 43 -1.157 -5.621 6.319 345 HG12 ILE 43 2HG1 ILE 43 0.681 -7.244 4.499 346 HG13 ILE 43 3HG1 ILE 43 -0.941 -7.713 4.970 347 HG21 ILE 43 1HG2 ILE 43 0.382 -4.184 5.041 348 HG22 ILE 43 2HG2 ILE 43 1.754 -5.157 5.575 349 HG23 ILE 43 3HG2 ILE 43 0.831 -4.212 6.749 350 HD11 ILE 43 3HD1 ILE 43 -0.174 -5.369 3.246 351 HD12 ILE 43 1HD1 ILE 43 -1.817 -5.715 3.798 352 HD13 ILE 43 2HD1 ILE 43 -0.978 -6.856 2.747 353 H ILE 44 H ILE 44 -1.742 -6.155 8.561 354 HA ILE 44 HA ILE 44 -0.808 -3.852 9.886 355 HB ILE 44 HB ILE 44 -3.319 -5.522 10.370 356 HG12 ILE 44 2HG1 ILE 44 -2.862 -2.952 8.775 357 HG13 ILE 44 3HG1 ILE 44 -3.201 -4.545 8.107 358 HG21 ILE 44 1HG2 ILE 44 -2.742 -2.728 11.432 359 HG22 ILE 44 2HG2 ILE 44 -2.845 -4.197 12.402 360 HG23 ILE 44 3HG2 ILE 44 -4.279 -3.587 11.579 361 HD11 ILE 44 3HD1 ILE 44 -5.439 -4.465 9.130 362 HD12 ILE 44 1HD1 ILE 44 -5.149 -3.145 7.998 363 HD13 ILE 44 2HD1 ILE 44 -5.087 -2.843 9.734 364 H LYS 45 H LYS 45 -1.144 -7.209 10.987 365 HA LYS 45 HA LYS 45 -0.694 -6.951 13.727 366 HB2 LYS 45 2HB LYS 45 0.095 -9.187 11.819 367 HB3 LYS 45 3HB LYS 45 0.257 -9.318 13.572 368 HG2 LYS 45 2HG LYS 45 -2.136 -9.132 13.873 369 HG3 LYS 45 3HG LYS 45 -2.368 -8.785 12.155 370 HD2 LYS 45 2HD LYS 45 -1.439 -11.067 11.627 371 HD3 LYS 45 3HD LYS 45 -1.383 -11.400 13.362 372 HE2 LYS 45 2HE LYS 45 -3.831 -11.101 13.486 373 HE3 LYS 45 3HE LYS 45 -3.877 -10.762 11.754 374 HZ1 LYS 45 3HZ LYS 45 -2.998 -13.312 12.996 375 HZ2 LYS 45 1HZ LYS 45 -3.049 -12.989 11.338 376 HZ3 LYS 45 2HZ LYS 45 -4.480 -13.039 12.232 377 H SER 46 H SER 46 1.650 -7.307 11.064 378 HA SER 46 HA SER 46 3.988 -7.264 12.686 379 HB2 SER 46 2HB SER 46 3.996 -8.286 10.430 380 HB3 SER 46 3HB SER 46 3.644 -6.721 9.702 381 HG SER 46 HG SER 46 5.848 -6.693 11.346 382 H MET 47 H MET 47 2.043 -4.821 11.040 383 HA MET 47 HA MET 47 4.005 -2.739 11.129 384 HB2 MET 47 2HB MET 47 1.038 -2.685 10.498 385 HB3 MET 47 3HB MET 47 2.081 -1.266 10.398 386 HG2 MET 47 2HG MET 47 2.344 -3.802 8.764 387 HG3 MET 47 3HG MET 47 1.767 -2.237 8.190 388 HE1 MET 47 3HE MET 47 5.107 -0.091 8.450 389 HE2 MET 47 1HE MET 47 3.884 -0.265 9.710 390 HE3 MET 47 2HE MET 47 3.393 -0.051 8.029 391 H LYS 48 H LYS 48 1.776 -3.950 13.443 392 HA LYS 48 HA LYS 48 1.540 -1.630 15.102 393 HB2 LYS 48 2HB LYS 48 1.376 -4.587 15.851 394 HB3 LYS 48 3HB LYS 48 0.922 -3.248 16.908 395 HG2 LYS 48 2HG LYS 48 -0.791 -2.585 15.177 396 HG3 LYS 48 3HG LYS 48 -0.415 -4.088 14.327 397 HD2 LYS 48 2HD LYS 48 -1.429 -3.917 17.195 398 HD3 LYS 48 3HD LYS 48 -2.451 -4.211 15.792 399 HE2 LYS 48 2HE LYS 48 -1.169 -6.301 15.341 400 HE3 LYS 48 3HE LYS 48 -0.241 -6.016 16.817 401 HZ1 LYS 48 3HZ LYS 48 -2.048 -7.542 17.218 402 HZ2 LYS 48 1HZ LYS 48 -3.184 -6.417 16.658 403 HZ3 LYS 48 2HZ LYS 48 -2.313 -6.111 18.075 404 H ASP 49 H ASP 49 3.767 -4.365 14.956 405 HA ASP 49 HA ASP 49 5.223 -3.630 17.354 406 HB2 ASP 49 2HB ASP 49 4.704 -6.006 16.808 407 HB3 ASP 49 3HB ASP 49 5.680 -5.884 15.349 408 H ASN 50 H ASN 50 5.630 -3.305 13.869 409 HA ASN 50 HA ASN 50 8.512 -2.812 14.129 410 HB2 ASN 50 2HB ASN 50 8.640 -2.949 11.707 411 HB3 ASN 50 3HB ASN 50 7.720 -4.315 12.317 412 HD21 ASN 50 1HD2 ASN 50 6.765 -4.697 10.305 413 HD22 ASN 50 2HD2 ASN 50 5.566 -3.654 9.632 414 H GLY 51 H GLY 51 9.463 -1.051 12.873 415 HA2 GLY 51 2HA GLY 51 7.892 1.465 12.830 416 HA3 GLY 51 3HA GLY 51 9.641 1.363 13.015 417 H LYS 52 H LYS 52 9.850 2.781 11.193 418 HA LYS 52 HA LYS 52 10.277 3.355 9.070 419 HB2 LYS 52 2HB LYS 52 10.301 0.340 8.643 420 HB3 LYS 52 3HB LYS 52 10.594 1.452 7.320 421 HG2 LYS 52 2HG LYS 52 12.765 0.942 7.958 422 HG3 LYS 52 3HG LYS 52 12.478 2.431 8.853 423 HD2 LYS 52 2HD LYS 52 13.585 0.854 10.324 424 HD3 LYS 52 3HD LYS 52 11.922 1.054 10.884 425 HE2 LYS 52 2HE LYS 52 11.297 -1.067 9.768 426 HE3 LYS 52 3HE LYS 52 12.955 -1.254 9.193 427 HZ1 LYS 52 3HZ LYS 52 12.130 -1.186 12.035 428 HZ2 LYS 52 1HZ LYS 52 13.698 -1.419 11.460 429 HZ3 LYS 52 2HZ LYS 52 12.509 -2.575 11.158 430 HA PRO 53 HA PRO 53 6.350 3.440 6.788 431 HB2 PRO 53 2HB PRO 53 7.081 4.281 4.315 432 HB3 PRO 53 3HB PRO 53 7.245 5.348 5.728 433 HG2 PRO 53 2HG PRO 53 9.362 3.717 4.349 434 HG3 PRO 53 3HG PRO 53 9.437 5.399 4.930 435 HD2 PRO 53 2HD PRO 53 10.436 3.258 6.356 436 HD3 PRO 53 3HD PRO 53 9.878 4.765 7.111 437 H LEU 54 H LEU 54 5.182 2.397 5.065 438 HA LEU 54 HA LEU 54 6.446 0.129 3.668 439 HB2 LEU 54 2HB LEU 54 5.188 -0.499 5.894 440 HB3 LEU 54 3HB LEU 54 3.723 -0.117 5.009 441 HG LEU 54 HG LEU 54 4.457 -1.887 3.284 442 HD11 LEU 54 1HD1 LEU 54 6.823 -1.997 3.881 443 HD12 LEU 54 2HD1 LEU 54 6.062 -3.580 4.009 444 HD13 LEU 54 3HD1 LEU 54 6.411 -2.649 5.470 445 HD21 LEU 54 3HD2 LEU 54 3.869 -2.868 6.090 446 HD22 LEU 54 1HD2 LEU 54 3.618 -3.767 4.590 447 HD23 LEU 54 2HD2 LEU 54 2.673 -2.315 4.914 448 H VAL 55 H VAL 55 4.728 -0.690 1.996 449 HA VAL 55 HA VAL 55 2.891 1.338 0.990 450 HB VAL 55 HB VAL 55 5.149 0.270 -0.784 451 HG11 VAL 55 1HG1 VAL 55 4.116 1.618 -2.603 452 HG12 VAL 55 2HG1 VAL 55 2.779 2.036 -1.528 453 HG13 VAL 55 3HG1 VAL 55 3.024 0.358 -2.021 454 HG21 VAL 55 3HG2 VAL 55 5.866 2.594 -1.063 455 HG22 VAL 55 1HG2 VAL 55 5.871 2.167 0.645 456 HG23 VAL 55 2HG2 VAL 55 4.564 3.155 -0.010 457 H VAL 56 H VAL 56 1.116 0.074 0.951 458 HA VAL 56 HA VAL 56 1.279 -2.673 -0.122 459 HB VAL 56 HB VAL 56 -0.773 -1.420 1.744 460 HG11 VAL 56 1HG1 VAL 56 -1.987 -2.882 0.184 461 HG12 VAL 56 2HG1 VAL 56 -1.909 -3.641 1.775 462 HG13 VAL 56 3HG1 VAL 56 -0.839 -4.192 0.483 463 HG21 VAL 56 3HG2 VAL 56 1.331 -2.121 2.836 464 HG22 VAL 56 1HG2 VAL 56 1.171 -3.737 2.138 465 HG23 VAL 56 2HG2 VAL 56 -0.000 -3.168 3.333 466 H PHE 57 H PHE 57 0.670 -2.895 -2.123 467 HA PHE 57 HA PHE 57 -1.096 -1.031 -3.525 468 HB2 PHE 57 2HB PHE 57 0.503 -3.457 -4.454 469 HB3 PHE 57 3HB PHE 57 -0.583 -2.567 -5.507 470 HD1 PHE 57 HD2 PHE 57 2.592 -2.323 -3.567 471 HD2 PHE 57 HD1 PHE 57 0.100 -0.511 -6.537 472 HE1 PHE 57 HE2 PHE 57 4.412 -0.786 -4.180 473 HE2 PHE 57 HE1 PHE 57 1.934 1.008 -7.139 474 HZ PHE 57 HZ PHE 57 4.088 0.871 -5.961 475 H VAL 58 H VAL 58 -3.225 -1.495 -3.860 476 HA VAL 58 HA VAL 58 -4.405 -3.910 -2.768 477 HB VAL 58 HB VAL 58 -5.745 -1.600 -4.269 478 HG11 VAL 58 1HG1 VAL 58 -7.853 -2.392 -3.221 479 HG12 VAL 58 2HG1 VAL 58 -6.991 -3.767 -2.525 480 HG13 VAL 58 3HG1 VAL 58 -7.153 -3.622 -4.276 481 HG21 VAL 58 3HG2 VAL 58 -4.619 -0.786 -2.234 482 HG22 VAL 58 1HG2 VAL 58 -5.422 -2.027 -1.264 483 HG23 VAL 58 2HG2 VAL 58 -6.369 -0.740 -2.017 484 H ASN 59 H ASN 59 -3.421 -5.479 -4.093 485 HA ASN 59 HA ASN 59 -4.402 -5.708 -6.886 486 HB2 ASN 59 2HB ASN 59 -1.976 -5.422 -6.842 487 HB3 ASN 59 3HB ASN 59 -1.800 -6.646 -5.593 488 HD21 ASN 59 1HD2 ASN 59 -3.833 -6.946 -8.509 489 HD22 ASN 59 2HD2 ASN 59 -2.925 -8.243 -9.192 490 H GLY 60 H GLY 60 -6.086 -7.072 -6.838 491 HA2 GLY 60 2HA GLY 60 -6.972 -9.283 -6.784 492 HA3 GLY 60 3HA GLY 60 -5.869 -9.691 -5.474 493 H ALA 61 H ALA 61 -6.575 -7.053 -4.134 494 HA ALA 61 HA ALA 61 -8.984 -7.939 -2.728 495 HB1 ALA 61 3HB ALA 61 -7.038 -7.241 -1.389 496 HB2 ALA 61 1HB ALA 61 -8.407 -6.164 -1.100 497 HB3 ALA 61 2HB ALA 61 -7.076 -5.643 -2.135 498 H SER 62 H SER 62 -10.655 -6.384 -2.218 499 HA SER 62 HA SER 62 -11.263 -4.416 -4.346 500 HB2 SER 62 2HB SER 62 -12.810 -6.383 -4.292 501 HB3 SER 62 3HB SER 62 -13.179 -6.052 -2.601 502 HG SER 62 HG SER 62 -14.690 -5.234 -4.260 503 H GLN 63 H GLN 63 -12.994 -2.766 -3.393 504 HA GLN 63 HA GLN 63 -11.782 -1.202 -1.378 505 HB2 GLN 63 2HB GLN 63 -13.168 -0.128 -3.062 506 HB3 GLN 63 3HB GLN 63 -14.581 -1.048 -2.571 507 HG2 GLN 63 2HG GLN 63 -14.729 1.276 -1.787 508 HG3 GLN 63 3HG GLN 63 -14.657 0.158 -0.425 509 HE21 GLN 63 1HE2 GLN 63 -13.876 1.633 1.055 510 HE22 GLN 63 2HE2 GLN 63 -12.309 2.352 0.968 511 H ASN 64 H ASN 64 -14.288 -3.696 -1.224 512 HA ASN 64 HA ASN 64 -15.258 -3.470 1.370 513 HB2 ASN 64 2HB ASN 64 -14.553 -5.982 -0.217 514 HB3 ASN 64 3HB ASN 64 -15.427 -6.030 1.315 515 HD21 ASN 64 1HD2 ASN 64 -16.217 -6.792 -1.461 516 HD22 ASN 64 2HD2 ASN 64 -17.694 -5.942 -1.748 517 H ASP 65 H ASP 65 -12.208 -4.846 0.255 518 HA ASP 65 HA ASP 65 -11.267 -5.695 2.867 519 HB2 ASP 65 2HB ASP 65 -9.666 -5.401 0.283 520 HB3 ASP 65 3HB ASP 65 -9.173 -6.284 1.727 521 H VAL 66 H VAL 66 -10.856 -2.933 0.736 522 HA VAL 66 HA VAL 66 -8.649 -1.668 1.988 523 HB VAL 66 HB VAL 66 -10.895 -0.571 0.249 524 HG11 VAL 66 1HG1 VAL 66 -9.562 1.508 -0.026 525 HG12 VAL 66 2HG1 VAL 66 -8.456 0.947 1.227 526 HG13 VAL 66 3HG1 VAL 66 -10.134 1.300 1.630 527 HG21 VAL 66 3HG2 VAL 66 -9.135 -0.468 -1.498 528 HG22 VAL 66 1HG2 VAL 66 -9.328 -2.111 -0.875 529 HG23 VAL 66 2HG2 VAL 66 -7.961 -1.124 -0.352 530 H ASN 67 H ASN 67 -12.172 -1.371 2.520 531 HA ASN 67 HA ASN 67 -12.162 0.633 4.494 532 HB2 ASN 67 2HB ASN 67 -14.130 -1.687 4.175 533 HB3 ASN 67 3HB ASN 67 -14.365 -0.332 5.275 534 HD21 ASN 67 1HD2 ASN 67 -14.892 -1.468 2.139 535 HD22 ASN 67 2HD2 ASN 67 -15.480 -0.003 1.447 536 H GLU 68 H GLU 68 -11.928 -2.909 4.702 537 HA GLU 68 HA GLU 68 -11.859 -3.206 7.494 538 HB2 GLU 68 2HB GLU 68 -10.729 -4.970 5.286 539 HB3 GLU 68 3HB GLU 68 -10.832 -5.463 6.980 540 HG2 GLU 68 2HG GLU 68 -13.209 -4.678 5.259 541 HG3 GLU 68 3HG GLU 68 -12.686 -6.338 5.557 542 H PHE 69 H PHE 69 -9.244 -2.693 5.143 543 HA PHE 69 HA PHE 69 -7.014 -2.992 6.802 544 HB2 PHE 69 2HB PHE 69 -6.682 -2.793 4.403 545 HB3 PHE 69 3HB PHE 69 -7.456 -1.215 4.363 546 HD1 PHE 69 HD1 PHE 69 -4.398 -3.012 5.572 547 HD2 PHE 69 HD2 PHE 69 -6.166 0.789 4.696 548 HE1 PHE 69 HE1 PHE 69 -2.212 -1.918 5.854 549 HE2 PHE 69 HE2 PHE 69 -3.980 1.862 4.978 550 HZ PHE 69 HZ PHE 69 -2.007 0.519 5.557 551 H GLN 70 H GLN 70 -8.778 -0.052 5.903 552 HA GLN 70 HA GLN 70 -7.403 1.744 7.528 553 HB2 GLN 70 2HB GLN 70 -10.208 1.915 6.368 554 HB3 GLN 70 3HB GLN 70 -9.326 3.281 7.061 555 HG2 GLN 70 2HG GLN 70 -7.559 2.992 5.341 556 HG3 GLN 70 3HG GLN 70 -8.478 1.661 4.635 557 HE21 GLN 70 1HE2 GLN 70 -8.648 2.739 2.647 558 HE22 GLN 70 2HE2 GLN 70 -9.685 4.103 2.422 559 H ASN 71 H ASN 71 -10.362 -0.106 8.211 560 HA ASN 71 HA ASN 71 -11.115 1.065 10.674 561 HB2 ASN 71 2HB ASN 71 -11.551 -1.813 9.742 562 HB3 ASN 71 3HB ASN 71 -12.366 -1.067 11.113 563 HD21 ASN 71 1HD2 ASN 71 -13.518 -2.279 8.723 564 HD22 ASN 71 2HD2 ASN 71 -14.482 -1.050 7.985 565 H GLU 72 H GLU 72 -9.400 -2.023 10.102 566 HA GLU 72 HA GLU 72 -8.815 -2.475 12.804 567 HB2 GLU 72 2HB GLU 72 -7.519 -3.699 10.335 568 HB3 GLU 72 3HB GLU 72 -7.412 -4.339 11.981 569 HG2 GLU 72 2HG GLU 72 -9.894 -4.570 12.012 570 HG3 GLU 72 3HG GLU 72 -9.948 -4.031 10.336 571 H ALA 73 H ALA 73 -6.848 -0.960 10.223 572 HA ALA 73 HA ALA 73 -4.413 -0.842 11.619 573 HB1 ALA 73 3HB ALA 73 -4.537 -0.461 9.190 574 HB2 ALA 73 1HB ALA 73 -3.711 0.875 10.005 575 HB3 ALA 73 2HB ALA 73 -5.382 1.064 9.461 576 H LYS 74 H LYS 74 -6.962 1.704 11.281 577 HA LYS 74 HA LYS 74 -5.696 3.573 12.948 578 HB2 LYS 74 2HB LYS 74 -7.725 4.853 13.017 579 HB3 LYS 74 3HB LYS 74 -7.593 4.157 11.408 580 HG2 LYS 74 2HG LYS 74 -9.346 2.581 11.834 581 HG3 LYS 74 3HG LYS 74 -9.306 2.894 13.568 582 HD2 LYS 74 2HD LYS 74 -11.275 3.938 12.576 583 HD3 LYS 74 3HD LYS 74 -10.178 5.177 13.187 584 HE2 LYS 74 2HE LYS 74 -11.123 5.815 11.009 585 HE3 LYS 74 3HE LYS 74 -9.378 5.603 10.889 586 HZ1 LYS 74 3HZ LYS 74 -11.359 3.534 10.127 587 HZ2 LYS 74 1HZ LYS 74 -9.692 3.496 9.860 588 HZ3 LYS 74 2HZ LYS 74 -10.655 4.616 9.039 589 H LYS 75 H LYS 75 -7.880 0.859 13.853 590 HA LYS 75 HA LYS 75 -8.067 1.821 16.597 591 HB2 LYS 75 2HB LYS 75 -9.467 -0.065 17.067 592 HB3 LYS 75 3HB LYS 75 -9.946 0.570 15.495 593 HG2 LYS 75 2HG LYS 75 -8.927 -1.265 14.338 594 HG3 LYS 75 3HG LYS 75 -8.115 -1.832 15.798 595 HD2 LYS 75 2HD LYS 75 -10.109 -3.206 15.155 596 HD3 LYS 75 3HD LYS 75 -10.212 -2.533 16.783 597 HE2 LYS 75 2HE LYS 75 -12.369 -2.374 15.596 598 HE3 LYS 75 3HE LYS 75 -11.737 -0.771 15.967 599 HZ1 LYS 75 3HZ LYS 75 -12.606 -0.849 13.741 600 HZ2 LYS 75 1HZ LYS 75 -11.601 -2.148 13.338 601 HZ3 LYS 75 2HZ LYS 75 -10.934 -0.629 13.677 602 H GLU 76 H GLU 76 -5.949 -0.306 14.824 603 HA GLU 76 HA GLU 76 -4.806 -1.521 17.231 604 HB2 GLU 76 2HB GLU 76 -4.219 -1.916 14.268 605 HB3 GLU 76 3HB GLU 76 -3.332 -2.735 15.547 606 HG2 GLU 76 2HG GLU 76 -6.297 -3.028 14.963 607 HG3 GLU 76 3HG GLU 76 -5.037 -4.188 14.548 608 H GLY 77 H GLY 77 -4.389 1.386 15.674 609 HA2 GLY 77 2HA GLY 77 -2.895 3.070 16.272 610 HA3 GLY 77 3HA GLY 77 -1.898 1.886 17.101 611 H VAL 78 H VAL 78 -2.641 0.874 13.969 612 HA VAL 78 HA VAL 78 0.009 1.483 12.932 613 HB VAL 78 HB VAL 78 -2.345 0.001 11.668 614 HG11 VAL 78 1HG1 VAL 78 -0.723 -0.801 9.965 615 HG12 VAL 78 2HG1 VAL 78 0.525 0.236 10.663 616 HG13 VAL 78 3HG1 VAL 78 -0.899 0.956 9.907 617 HG21 VAL 78 3HG2 VAL 78 -1.026 -2.039 12.150 618 HG22 VAL 78 1HG2 VAL 78 -1.429 -1.163 13.629 619 HG23 VAL 78 2HG2 VAL 78 0.201 -1.059 12.954 620 H SER 79 H SER 79 0.422 3.282 11.840 621 HA SER 79 HA SER 79 -1.650 5.134 11.032 622 HB2 SER 79 2HB SER 79 1.380 5.229 10.704 623 HB3 SER 79 3HB SER 79 0.273 6.582 10.447 624 HG SER 79 HG SER 79 -0.094 5.439 12.879 625 H TYR 80 H TYR 80 -1.860 5.948 8.819 626 HA TYR 80 HA TYR 80 -0.642 4.618 6.587 627 HB2 TYR 80 2HB TYR 80 -2.716 3.621 5.627 628 HB3 TYR 80 3HB TYR 80 -2.267 2.858 7.144 629 HD1 TYR 80 HD1 TYR 80 -3.634 3.247 9.208 630 HD2 TYR 80 HD2 TYR 80 -4.829 4.891 5.438 631 HE1 TYR 80 HE1 TYR 80 -5.885 3.663 10.100 632 HE2 TYR 80 HE2 TYR 80 -7.079 5.305 6.340 633 HH TYR 80 HH TYR 80 -8.524 4.600 8.064 634 H ASP 81 H ASP 81 -0.969 5.691 4.652 635 HA ASP 81 HA ASP 81 -2.999 7.840 4.469 636 HB2 ASP 81 2HB ASP 81 -0.122 7.890 3.442 637 HB3 ASP 81 3HB ASP 81 -1.361 8.980 2.824 638 H VAL 82 H VAL 82 -4.383 7.430 2.882 639 HA VAL 82 HA VAL 82 -3.941 5.239 1.003 640 HB VAL 82 HB VAL 82 -6.441 6.940 1.461 641 HG11 VAL 82 1HG1 VAL 82 -6.133 4.305 -0.039 642 HG12 VAL 82 2HG1 VAL 82 -6.430 5.881 -0.777 643 HG13 VAL 82 3HG1 VAL 82 -7.658 5.148 0.258 644 HG21 VAL 82 3HG2 VAL 82 -5.757 4.185 2.565 645 HG22 VAL 82 1HG2 VAL 82 -7.306 5.010 2.762 646 HG23 VAL 82 2HG2 VAL 82 -5.848 5.681 3.498 647 H LEU 83 H LEU 83 -3.468 5.540 -1.072 648 HA LEU 83 HA LEU 83 -3.546 8.212 -2.329 649 HB2 LEU 83 2HB LEU 83 -1.247 7.446 -1.894 650 HB3 LEU 83 3HB LEU 83 -1.584 5.917 -2.684 651 HG LEU 83 HG LEU 83 -1.934 7.215 -4.859 652 HD11 LEU 83 1HD1 LEU 83 -2.378 9.424 -3.917 653 HD12 LEU 83 2HD1 LEU 83 -1.020 9.477 -5.038 654 HD13 LEU 83 3HD1 LEU 83 -0.727 9.513 -3.296 655 HD21 LEU 83 3HD2 LEU 83 0.461 7.443 -5.328 656 HD22 LEU 83 1HD2 LEU 83 0.122 5.969 -4.422 657 HD23 LEU 83 2HD2 LEU 83 0.820 7.368 -3.600 658 H LYS 84 H LYS 84 -5.147 8.225 -3.831 659 HA LYS 84 HA LYS 84 -5.670 5.790 -5.460 660 HB2 LYS 84 2HB LYS 84 -7.563 8.119 -4.917 661 HB3 LYS 84 3HB LYS 84 -7.909 6.728 -5.946 662 HG2 LYS 84 2HG LYS 84 -7.592 5.296 -3.829 663 HG3 LYS 84 3HG LYS 84 -7.641 6.819 -2.928 664 HD2 LYS 84 2HD LYS 84 -9.887 7.286 -4.017 665 HD3 LYS 84 3HD LYS 84 -9.828 5.666 -4.716 666 HE2 LYS 84 2HE LYS 84 -11.214 5.572 -2.755 667 HE3 LYS 84 3HE LYS 84 -9.704 4.753 -2.364 668 HZ1 LYS 84 3HZ LYS 84 -10.407 6.194 -0.579 669 HZ2 LYS 84 1HZ LYS 84 -10.427 7.531 -1.612 670 HZ3 LYS 84 2HZ LYS 84 -8.966 6.772 -1.242 671 H SER 85 H SER 85 -4.612 5.989 -7.337 672 HA SER 85 HA SER 85 -4.970 8.314 -9.057 673 HB2 SER 85 2HB SER 85 -2.172 7.497 -8.144 674 HB3 SER 85 3HB SER 85 -2.520 8.669 -9.418 675 HG SER 85 HG SER 85 -3.850 9.636 -7.538 676 H THR 86 H THR 86 -4.946 7.724 -11.199 677 HA THR 86 HA THR 86 -4.049 4.985 -11.941 678 HB THR 86 HB THR 86 -5.575 5.254 -13.955 679 HG1 THR 86 HG1 THR 86 -5.818 7.504 -13.986 680 HG21 THR 86 3HG2 THR 86 -6.383 3.966 -11.999 681 HG22 THR 86 1HG2 THR 86 -7.711 4.849 -12.759 682 HG23 THR 86 2HG2 THR 86 -6.994 5.449 -11.261 683 H ASP 87 H ASP 87 -1.856 5.599 -12.261 684 HA ASP 87 HA ASP 87 -1.102 6.693 -14.734 685 HB2 ASP 87 2HB ASP 87 -1.785 8.848 -13.545 686 HB3 ASP 87 3HB ASP 87 -0.487 8.559 -12.394 687 HA PRO 88 HA PRO 88 2.006 3.898 -13.221 688 HB2 PRO 88 2HB PRO 88 3.781 3.928 -15.321 689 HB3 PRO 88 3HB PRO 88 2.180 3.159 -15.424 690 HG2 PRO 88 2HG PRO 88 3.019 5.888 -16.376 691 HG3 PRO 88 3HG PRO 88 2.057 4.651 -17.221 692 HD2 PRO 88 2HD PRO 88 0.877 6.753 -15.971 693 HD3 PRO 88 3HD PRO 88 0.108 5.150 -16.028 694 H GLU 89 H GLU 89 3.075 7.186 -14.191 695 HA GLU 89 HA GLU 89 5.716 6.746 -12.937 696 HB2 GLU 89 2HB GLU 89 6.381 8.936 -13.821 697 HB3 GLU 89 3HB GLU 89 5.768 7.895 -15.097 698 HG2 GLU 89 2HG GLU 89 3.692 9.117 -15.191 699 HG3 GLU 89 3HG GLU 89 4.130 10.062 -13.769 700 H GLU 90 H GLU 90 2.685 8.421 -12.419 701 HA GLU 90 HA GLU 90 3.510 10.146 -10.304 702 HB2 GLU 90 2HB GLU 90 1.485 10.619 -11.563 703 HB3 GLU 90 3HB GLU 90 0.780 9.072 -11.104 704 HG2 GLU 90 2HG GLU 90 0.623 9.811 -8.762 705 HG3 GLU 90 3HG GLU 90 1.405 11.340 -9.181 706 H LEU 91 H LEU 91 1.944 6.939 -10.409 707 HA LEU 91 HA LEU 91 1.768 6.572 -7.602 708 HB2 LEU 91 2HB LEU 91 1.854 4.570 -9.874 709 HB3 LEU 91 3HB LEU 91 1.667 4.076 -8.197 710 HG LEU 91 HG LEU 91 -0.283 5.797 -9.786 711 HD11 LEU 91 1HD1 LEU 91 -0.571 2.958 -8.748 712 HD12 LEU 91 2HD1 LEU 91 -0.329 3.428 -10.433 713 HD13 LEU 91 3HD1 LEU 91 -1.809 3.893 -9.598 714 HD21 LEU 91 3HD2 LEU 91 -1.748 5.630 -7.795 715 HD22 LEU 91 1HD2 LEU 91 -0.266 6.524 -7.463 716 HD23 LEU 91 2HD2 LEU 91 -0.434 4.860 -6.901 717 H THR 92 H THR 92 4.343 5.809 -9.953 718 HA THR 92 HA THR 92 6.043 4.339 -8.241 719 HB THR 92 HB THR 92 6.763 5.967 -10.719 720 HG1 THR 92 HG1 THR 92 5.218 4.063 -10.742 721 HG21 THR 92 3HG2 THR 92 8.365 3.757 -9.358 722 HG22 THR 92 1HG2 THR 92 8.806 5.467 -9.376 723 HG23 THR 92 2HG2 THR 92 8.782 4.544 -10.882 724 H GLN 93 H GLN 93 5.922 7.834 -9.004 725 HA GLN 93 HA GLN 93 8.283 8.495 -7.563 726 HB2 GLN 93 2HB GLN 93 7.787 10.802 -7.977 727 HB3 GLN 93 3HB GLN 93 7.290 9.918 -9.412 728 HG2 GLN 93 2HG GLN 93 4.939 10.065 -8.670 729 HG3 GLN 93 3HG GLN 93 5.437 10.979 -7.252 730 HE21 GLN 93 1HE2 GLN 93 6.207 13.123 -7.546 731 HE22 GLN 93 2HE2 GLN 93 5.843 14.019 -8.977 732 H ARG 94 H ARG 94 4.834 8.373 -6.671 733 HA ARG 94 HA ARG 94 5.132 9.743 -4.170 734 HB2 ARG 94 2HB ARG 94 2.882 7.922 -5.108 735 HB3 ARG 94 3HB ARG 94 2.829 8.929 -3.662 736 HG2 ARG 94 2HG ARG 94 2.997 9.898 -6.533 737 HG3 ARG 94 3HG ARG 94 1.582 9.977 -5.486 738 HD2 ARG 94 2HD ARG 94 2.710 11.598 -4.045 739 HD3 ARG 94 3HD ARG 94 4.204 11.434 -4.978 740 HE ARG 94 HE ARG 94 1.764 12.365 -6.325 741 HH11 ARG 94 1HH1 ARG 94 4.995 13.142 -5.165 742 HH12 ARG 94 2HH1 ARG 94 5.075 14.631 -6.052 743 HH21 ARG 94 1HH2 ARG 94 1.879 14.313 -7.441 744 HH22 ARG 94 2HH2 ARG 94 3.306 15.293 -7.344 745 H VAL 95 H VAL 95 5.106 6.329 -5.127 746 HA VAL 95 HA VAL 95 5.211 5.122 -2.581 747 HB VAL 95 HB VAL 95 6.200 4.201 -5.315 748 HG11 VAL 95 1HG1 VAL 95 6.457 1.906 -4.406 749 HG12 VAL 95 2HG1 VAL 95 6.157 2.518 -2.782 750 HG13 VAL 95 3HG1 VAL 95 7.598 3.028 -3.661 751 HG21 VAL 95 3HG2 VAL 95 4.230 2.707 -5.241 752 HG22 VAL 95 1HG2 VAL 95 3.748 4.395 -5.051 753 HG23 VAL 95 2HG2 VAL 95 3.805 3.330 -3.645 754 H ARG 96 H ARG 96 7.860 6.012 -4.818 755 HA ARG 96 HA ARG 96 9.886 5.028 -3.064 756 HB2 ARG 96 2HB ARG 96 11.487 5.762 -4.719 757 HB3 ARG 96 3HB ARG 96 10.117 5.021 -5.534 758 HG2 ARG 96 2HG ARG 96 9.257 7.314 -6.065 759 HG3 ARG 96 3HG ARG 96 10.728 7.989 -5.354 760 HD2 ARG 96 2HD ARG 96 10.576 6.130 -7.761 761 HD3 ARG 96 3HD ARG 96 10.937 7.858 -7.798 762 HE ARG 96 HE ARG 96 12.848 6.840 -6.146 763 HH11 ARG 96 1HH1 ARG 96 11.934 6.108 -9.460 764 HH12 ARG 96 2HH1 ARG 96 13.530 5.596 -9.906 765 HH21 ARG 96 1HH2 ARG 96 14.907 6.110 -6.741 766 HH22 ARG 96 2HH2 ARG 96 15.213 5.597 -8.369 767 H GLU 97 H GLU 97 8.532 8.274 -3.619 768 HA GLU 97 HA GLU 97 10.499 9.624 -2.039 769 HB2 GLU 97 2HB GLU 97 9.203 11.605 -2.232 770 HB3 GLU 97 3HB GLU 97 9.050 10.762 -3.768 771 HG2 GLU 97 2HG GLU 97 6.819 9.925 -3.044 772 HG3 GLU 97 3HG GLU 97 6.962 10.866 -1.562 773 H PHE 98 H PHE 98 7.321 8.169 -1.308 774 HA PHE 98 HA PHE 98 6.997 9.070 1.332 775 HB2 PHE 98 2HB PHE 98 5.223 7.957 -0.006 776 HB3 PHE 98 3HB PHE 98 6.121 6.449 0.029 777 HD1 PHE 98 HD1 PHE 98 4.185 8.856 2.114 778 HD2 PHE 98 HD2 PHE 98 5.927 4.940 1.922 779 HE1 PHE 98 HE1 PHE 98 2.976 8.201 4.156 780 HE2 PHE 98 HE2 PHE 98 4.712 4.312 3.964 781 HZ PHE 98 HZ PHE 98 3.243 5.933 5.070 782 H LEU 99 H LEU 99 8.669 6.245 -0.015 783 HA LEU 99 HA LEU 99 9.368 5.051 2.474 784 HB2 LEU 99 2HB LEU 99 10.490 4.650 -0.316 785 HB3 LEU 99 3HB LEU 99 10.910 3.643 1.067 786 HG LEU 99 HG LEU 99 8.108 3.936 -0.098 787 HD11 LEU 99 1HD1 LEU 99 10.062 1.635 -0.339 788 HD12 LEU 99 2HD1 LEU 99 9.551 2.725 -1.631 789 HD13 LEU 99 3HD1 LEU 99 8.383 1.630 -0.894 790 HD21 LEU 99 3HD2 LEU 99 8.005 3.503 2.301 791 HD22 LEU 99 1HD2 LEU 99 9.120 2.142 2.139 792 HD23 LEU 99 2HD2 LEU 99 7.513 2.064 1.416 793 H LYS 100 H LYS 100 10.856 7.611 0.617 794 HA LYS 100 HA LYS 100 13.445 7.281 1.969 795 HB2 LYS 100 2HB LYS 100 14.393 8.844 0.483 796 HB3 LYS 100 3HB LYS 100 13.280 7.913 -0.511 797 HG2 LYS 100 2HG LYS 100 11.642 9.771 -0.395 798 HG3 LYS 100 3HG LYS 100 12.772 10.699 0.590 799 HD2 LYS 100 2HD LYS 100 12.882 11.466 -1.724 800 HD3 LYS 100 3HD LYS 100 14.405 10.691 -1.287 801 HE2 LYS 100 2HE LYS 100 13.637 8.616 -2.456 802 HE3 LYS 100 3HE LYS 100 12.162 9.460 -2.934 803 HZ1 LYS 100 3HZ LYS 100 13.819 9.460 -4.686 804 HZ2 LYS 100 1HZ LYS 100 14.920 10.252 -3.681 805 HZ3 LYS 100 2HZ LYS 100 13.504 11.034 -4.163 806 H THR 101 H THR 101 10.517 9.270 2.201 807 HA THR 101 HA THR 101 11.881 11.281 3.869 808 HB THR 101 HB THR 101 9.712 12.561 3.724 809 HG1 THR 101 HG1 THR 101 8.730 11.201 1.569 810 HG21 THR 101 3HG2 THR 101 9.980 13.272 1.387 811 HG22 THR 101 1HG2 THR 101 10.911 11.812 1.032 812 HG23 THR 101 2HG2 THR 101 11.556 13.026 2.141 813 H ALA 102 H ALA 102 8.867 9.274 3.977 814 HA ALA 102 HA ALA 102 8.223 9.791 6.666 815 HB1 ALA 102 3HB ALA 102 6.659 7.922 6.512 816 HB2 ALA 102 1HB ALA 102 7.458 7.340 5.048 817 HB3 ALA 102 2HB ALA 102 6.604 8.885 5.035 818 H GLY 103 H GLY 103 10.586 7.651 5.317 819 HA2 GLY 103 2HA GLY 103 11.121 6.052 7.612 820 HA3 GLY 103 3HA GLY 103 12.218 6.380 6.285 821 H SER 104 H SER 104 12.372 9.173 6.458 822 HA SER 104 HA SER 104 14.192 9.383 8.782 823 HB2 SER 104 2HB SER 104 15.454 10.980 7.333 824 HB3 SER 104 3HB SER 104 15.293 9.389 6.590 825 HG SER 104 HG SER 104 14.446 10.396 4.981 826 H LEU 105 H LEU 105 11.142 10.381 8.291 827 HA LEU 105 HA LEU 105 11.254 13.173 8.914 828 HB2 LEU 105 2HB LEU 105 9.029 11.150 9.408 829 HB3 LEU 105 3HB LEU 105 8.865 12.866 9.745 830 HG LEU 105 HG LEU 105 9.216 11.576 7.016 831 HD11 LEU 105 1HD1 LEU 105 6.871 13.092 8.186 832 HD12 LEU 105 2HD1 LEU 105 6.966 11.351 7.906 833 HD13 LEU 105 3HD1 LEU 105 6.986 12.460 6.539 834 HD21 LEU 105 3HD2 LEU 105 10.479 13.671 7.045 835 HD22 LEU 105 1HD2 LEU 105 9.070 14.541 7.658 836 HD23 LEU 105 2HD2 LEU 105 9.041 13.831 6.041 837 H GLU 106 H GLU 106 10.107 13.910 11.082 838 HA GLU 106 HA GLU 106 12.093 13.268 13.108 839 HB2 GLU 106 2HB GLU 106 11.255 15.266 14.260 840 HB3 GLU 106 3HB GLU 106 11.563 15.607 12.558 841 HG2 GLU 106 2HG GLU 106 9.054 15.257 12.178 842 HG3 GLU 106 3HG GLU 106 8.875 15.276 13.933 843 H HIS 107 H HIS 107 9.988 11.227 12.571 844 HA HIS 107 HA HIS 107 8.358 11.106 14.963 845 HB2 HIS 107 2HB HIS 107 7.545 8.946 14.076 846 HB3 HIS 107 3HB HIS 107 7.462 10.200 12.850 847 HD1 HIS 107 HD1 HIS 107 8.846 6.879 13.554 848 HD2 HIS 107 HD2 HIS 107 9.408 9.847 10.701 849 HE1 HIS 107 HE1 HIS 107 10.044 5.768 11.653 850 HE2 HIS 107 HE2 HIS 107 10.216 7.541 9.875 851 H HIS 108 H HIS 108 10.685 11.449 16.009 852 HA HIS 108 HA HIS 108 11.445 8.838 17.196 853 HB2 HIS 108 2HB HIS 108 13.179 11.355 16.998 854 HB3 HIS 108 3HB HIS 108 13.637 9.850 17.782 855 HD1 HIS 108 HD1 HIS 108 14.497 7.963 16.307 856 HD2 HIS 108 HD2 HIS 108 13.292 11.301 14.149 857 HE1 HIS 108 HE1 HIS 108 15.435 7.661 14.007 858 HE2 HIS 108 HE2 HIS 108 14.596 9.627 12.697 859 H HIS 109 H HIS 109 9.867 8.927 18.765 860 HA HIS 109 HA HIS 109 10.034 11.061 20.793 861 HB2 HIS 109 2HB HIS 109 7.383 10.068 19.628 862 HB3 HIS 109 3HB HIS 109 7.578 11.255 20.910 863 HD1 HIS 109 HD1 HIS 109 7.098 10.977 17.348 864 HD2 HIS 109 HD2 HIS 109 8.837 13.741 19.903 865 HE1 HIS 109 HE1 HIS 109 7.282 13.098 16.022 866 HE2 HIS 109 HE2 HIS 109 8.500 14.688 17.537 867 H HIS 110 H HIS 110 9.984 10.231 22.797 868 HA HIS 110 HA HIS 110 8.752 7.576 23.290 869 HB2 HIS 110 2HB HIS 110 10.477 7.288 25.137 870 HB3 HIS 110 3HB HIS 110 11.121 7.213 23.505 871 HD1 HIS 110 HD1 HIS 110 12.483 9.374 22.682 872 HD2 HIS 110 HD2 HIS 110 11.645 9.219 26.753 873 HE1 HIS 110 HE1 HIS 110 14.071 10.983 23.769 874 HE2 HIS 110 HE2 HIS 110 13.408 11.014 26.188 875 H HIS 111 H HIS 111 6.831 8.596 23.692 876 HA HIS 111 HA HIS 111 5.226 9.958 24.434 877 HB2 HIS 111 2HB HIS 111 4.795 10.074 26.818 878 HB3 HIS 111 3HB HIS 111 5.466 8.497 26.458 879 HD1 HIS 111 HD1 HIS 111 7.575 7.817 27.698 880 HD2 HIS 111 HD2 HIS 111 6.617 11.825 28.295 881 HE1 HIS 111 HE1 HIS 111 9.065 8.608 29.555 882 HE2 HIS 111 HE2 HIS 111 8.342 10.971 30.008 883 H HIS 112 H HIS 112 7.859 11.222 23.629 884 HA HIS 112 HA HIS 112 7.415 13.954 24.074 885 HB2 HIS 112 2HB HIS 112 8.137 13.458 26.407 886 HB3 HIS 112 3HB HIS 112 9.624 12.729 25.811 887 HD1 HIS 112 HD1 HIS 112 11.510 14.310 25.107 888 HD2 HIS 112 HD2 HIS 112 8.051 16.299 26.243 889 HE1 HIS 112 HE1 HIS 112 12.151 16.725 25.294 890 HE2 HIS 112 HE2 HIS 112 9.984 17.921 25.740 Start of MODEL 9 1 H1 MET 1 1H MET 1 2.712 0.661 15.560 2 H2 MET 1 2H MET 1 4.038 0.659 14.510 3 H3 MET 1 3H MET 1 2.479 0.470 13.898 4 HA MET 1 HA MET 1 1.871 2.661 14.478 5 HB2 MET 1 2HB MET 1 3.546 4.197 15.519 6 HB3 MET 1 3HB MET 1 3.116 2.860 16.571 7 HG2 MET 1 2HG MET 1 5.229 1.718 15.920 8 HG3 MET 1 3HG MET 1 5.664 3.139 14.967 9 HE1 MET 1 3HE MET 1 8.064 3.384 18.082 10 HE2 MET 1 1HE MET 1 7.979 3.327 16.322 11 HE3 MET 1 2HE MET 1 7.539 1.907 17.274 12 H GLY 2 H GLY 2 3.861 4.719 13.708 13 HA2 GLY 2 2HA GLY 2 5.096 5.462 11.885 14 HA3 GLY 2 3HA GLY 2 5.081 3.837 11.211 15 H LYS 3 H LYS 3 4.439 4.469 9.119 16 HA LYS 3 HA LYS 3 1.608 5.121 8.811 17 HB2 LYS 3 2HB LYS 3 2.770 7.354 8.840 18 HB3 LYS 3 3HB LYS 3 3.743 6.849 7.465 19 HG2 LYS 3 2HG LYS 3 1.571 6.546 6.171 20 HG3 LYS 3 3HG LYS 3 0.739 7.301 7.521 21 HD2 LYS 3 2HD LYS 3 2.988 8.622 5.958 22 HD3 LYS 3 3HD LYS 3 1.275 8.870 5.617 23 HE2 LYS 3 2HE LYS 3 0.941 9.866 7.809 24 HE3 LYS 3 3HE LYS 3 2.615 9.517 8.259 25 HZ1 LYS 3 3HZ LYS 3 3.354 10.998 6.493 26 HZ2 LYS 3 1HZ LYS 3 2.341 11.822 7.564 27 HZ3 LYS 3 2HZ LYS 3 1.755 11.323 6.059 28 H VAL 4 H VAL 4 0.738 4.185 7.042 29 HA VAL 4 HA VAL 4 2.487 2.782 5.101 30 HB VAL 4 HB VAL 4 -0.481 2.232 5.660 31 HG11 VAL 4 1HG1 VAL 4 -0.039 0.098 4.449 32 HG12 VAL 4 2HG1 VAL 4 1.594 0.654 4.091 33 HG13 VAL 4 3HG1 VAL 4 0.203 1.519 3.435 34 HG21 VAL 4 3HG2 VAL 4 0.208 0.245 6.941 35 HG22 VAL 4 1HG2 VAL 4 0.818 1.723 7.688 36 HG23 VAL 4 2HG2 VAL 4 1.905 0.695 6.754 37 H LEU 5 H LEU 5 2.124 3.147 2.897 38 HA LEU 5 HA LEU 5 0.192 5.234 2.103 39 HB2 LEU 5 2HB LEU 5 2.604 5.588 1.503 40 HB3 LEU 5 3HB LEU 5 2.585 4.087 0.590 41 HG LEU 5 HG LEU 5 0.896 5.068 -0.968 42 HD11 LEU 5 1HD1 LEU 5 0.397 7.465 -0.921 43 HD12 LEU 5 2HD1 LEU 5 1.261 7.624 0.610 44 HD13 LEU 5 3HD1 LEU 5 -0.202 6.640 0.516 45 HD21 LEU 5 3HD2 LEU 5 3.274 5.193 -1.548 46 HD22 LEU 5 1HD2 LEU 5 3.425 6.734 -0.698 47 HD23 LEU 5 2HD2 LEU 5 2.414 6.609 -2.141 48 H LEU 6 H LEU 6 -1.688 4.339 1.509 49 HA LEU 6 HA LEU 6 -1.864 1.590 0.522 50 HB2 LEU 6 2HB LEU 6 -3.369 2.401 2.369 51 HB3 LEU 6 3HB LEU 6 -4.050 3.589 1.271 52 HG LEU 6 HG LEU 6 -4.920 1.713 -0.160 53 HD11 LEU 6 1HD1 LEU 6 -3.934 -0.085 2.063 54 HD12 LEU 6 2HD1 LEU 6 -3.333 -0.027 0.404 55 HD13 LEU 6 3HD1 LEU 6 -4.976 -0.571 0.723 56 HD21 LEU 6 3HD2 LEU 6 -6.397 2.786 1.483 57 HD22 LEU 6 1HD2 LEU 6 -5.872 1.645 2.725 58 HD23 LEU 6 2HD2 LEU 6 -6.781 1.074 1.322 59 H VAL 7 H VAL 7 -1.418 1.508 -1.644 60 HA VAL 7 HA VAL 7 -2.140 3.695 -3.448 61 HB VAL 7 HB VAL 7 -0.643 1.084 -4.024 62 HG11 VAL 7 1HG1 VAL 7 -0.934 3.552 -5.773 63 HG12 VAL 7 2HG1 VAL 7 -1.680 1.980 -6.056 64 HG13 VAL 7 3HG1 VAL 7 0.074 2.146 -6.131 65 HG21 VAL 7 3HG2 VAL 7 0.594 2.493 -2.436 66 HG22 VAL 7 1HG2 VAL 7 0.482 3.867 -3.540 67 HG23 VAL 7 2HG2 VAL 7 1.418 2.441 -3.996 68 H ILE 8 H ILE 8 -4.236 3.671 -3.931 69 HA ILE 8 HA ILE 8 -5.617 1.225 -4.843 70 HB ILE 8 HB ILE 8 -6.785 3.920 -3.978 71 HG12 ILE 8 2HG1 ILE 8 -6.723 1.254 -2.499 72 HG13 ILE 8 3HG1 ILE 8 -5.827 2.704 -2.066 73 HG21 ILE 8 1HG2 ILE 8 -9.000 2.827 -4.067 74 HG22 ILE 8 2HG2 ILE 8 -8.257 1.352 -4.684 75 HG23 ILE 8 3HG2 ILE 8 -8.225 2.826 -5.653 76 HD11 ILE 8 3HD1 ILE 8 -7.715 2.426 -0.622 77 HD12 ILE 8 1HD1 ILE 8 -8.819 2.374 -1.995 78 HD13 ILE 8 2HD1 ILE 8 -7.940 3.859 -1.621 79 H SER 9 H SER 9 -6.209 1.076 -6.907 80 HA SER 9 HA SER 9 -6.703 3.410 -8.592 81 HB2 SER 9 2HB SER 9 -4.889 1.168 -9.606 82 HB3 SER 9 3HB SER 9 -5.287 2.677 -10.426 83 HG SER 9 HG SER 9 -4.206 3.604 -8.405 84 H THR 10 H THR 10 -8.298 2.958 -10.109 85 HA THR 10 HA THR 10 -9.815 0.531 -9.951 86 HB THR 10 HB THR 10 -11.013 1.586 -12.000 87 HG1 THR 10 HG1 THR 10 -10.360 3.556 -12.647 88 HG21 THR 10 3HG2 THR 10 -11.871 1.855 -9.670 89 HG22 THR 10 1HG2 THR 10 -12.156 3.297 -10.647 90 HG23 THR 10 2HG2 THR 10 -10.845 3.277 -9.467 91 H ASP 11 H ASP 11 -7.026 1.473 -11.636 92 HA ASP 11 HA ASP 11 -7.173 -0.759 -13.567 93 HB2 ASP 11 2HB ASP 11 -5.570 1.831 -13.634 94 HB3 ASP 11 3HB ASP 11 -5.346 0.509 -14.776 95 H THR 12 H THR 12 -6.523 -2.329 -12.117 96 HA THR 12 HA THR 12 -4.238 -2.224 -10.443 97 HB THR 12 HB THR 12 -5.725 -4.655 -11.531 98 HG1 THR 12 HG1 THR 12 -6.075 -3.204 -9.088 99 HG21 THR 12 3HG2 THR 12 -3.961 -4.392 -9.066 100 HG22 THR 12 1HG2 THR 12 -3.579 -5.316 -10.522 101 HG23 THR 12 2HG2 THR 12 -4.927 -5.806 -9.496 102 H ASN 13 H ASN 13 -4.584 -2.788 -13.856 103 HA ASN 13 HA ASN 13 -2.170 -4.018 -14.560 104 HB2 ASN 13 2HB ASN 13 -3.724 -1.804 -15.972 105 HB3 ASN 13 3HB ASN 13 -2.341 -2.618 -16.702 106 HD21 ASN 13 1HD2 ASN 13 -2.554 -4.818 -17.305 107 HD22 ASN 13 2HD2 ASN 13 -4.107 -5.538 -17.539 108 H ILE 14 H ILE 14 -2.866 -0.646 -13.698 109 HA ILE 14 HA ILE 14 -0.232 0.377 -14.186 110 HB ILE 14 HB ILE 14 -2.510 1.534 -12.504 111 HG12 ILE 14 2HG1 ILE 14 -3.186 1.272 -14.849 112 HG13 ILE 14 3HG1 ILE 14 -2.975 2.978 -14.490 113 HG21 ILE 14 1HG2 ILE 14 -0.023 2.931 -13.530 114 HG22 ILE 14 2HG2 ILE 14 -0.376 2.538 -11.848 115 HG23 ILE 14 3HG2 ILE 14 -1.375 3.710 -12.708 116 HD11 ILE 14 3HD1 ILE 14 -2.130 2.432 -16.689 117 HD12 ILE 14 1HD1 ILE 14 -1.039 1.225 -16.012 118 HD13 ILE 14 2HD1 ILE 14 -0.799 2.937 -15.650 119 H ILE 15 H ILE 15 -2.010 -0.777 -11.353 120 HA ILE 15 HA ILE 15 -0.133 -0.247 -9.310 121 HB ILE 15 HB ILE 15 -2.339 -2.348 -9.518 122 HG12 ILE 15 2HG1 ILE 15 -2.229 0.334 -8.065 123 HG13 ILE 15 3HG1 ILE 15 -3.149 -0.024 -9.521 124 HG21 ILE 15 1HG2 ILE 15 -0.774 -1.644 -7.020 125 HG22 ILE 15 2HG2 ILE 15 -0.705 -3.176 -7.891 126 HG23 ILE 15 3HG2 ILE 15 -2.196 -2.687 -7.088 127 HD11 ILE 15 3HD1 ILE 15 -4.527 -1.607 -8.232 128 HD12 ILE 15 1HD1 ILE 15 -4.605 0.042 -7.613 129 HD13 ILE 15 2HD1 ILE 15 -3.636 -1.167 -6.773 130 H SER 16 H SER 16 -0.480 -2.953 -11.558 131 HA SER 16 HA SER 16 1.370 -4.762 -10.384 132 HB2 SER 16 2HB SER 16 -0.389 -5.434 -12.026 133 HB3 SER 16 3HB SER 16 0.454 -4.544 -13.293 134 HG SER 16 HG SER 16 1.860 -6.124 -13.463 135 H SER 17 H SER 17 1.680 -2.344 -13.002 136 HA SER 17 HA SER 17 4.369 -2.730 -13.710 137 HB2 SER 17 2HB SER 17 2.779 -0.124 -13.727 138 HB3 SER 17 3HB SER 17 4.228 -0.464 -14.680 139 HG SER 17 HG SER 17 1.621 -1.478 -14.965 140 H VAL 18 H VAL 18 2.946 -0.444 -11.407 141 HA VAL 18 HA VAL 18 5.351 0.788 -10.532 142 HB VAL 18 HB VAL 18 2.645 0.672 -9.122 143 HG11 VAL 18 1HG1 VAL 18 3.345 2.756 -7.982 144 HG12 VAL 18 2HG1 VAL 18 4.942 2.628 -8.722 145 HG13 VAL 18 3HG1 VAL 18 4.402 1.402 -7.573 146 HG21 VAL 18 3HG2 VAL 18 3.723 2.774 -11.039 147 HG22 VAL 18 1HG2 VAL 18 2.153 2.804 -10.230 148 HG23 VAL 18 2HG2 VAL 18 2.502 1.561 -11.430 149 H GLN 19 H GLN 19 3.520 -1.978 -9.386 150 HA GLN 19 HA GLN 19 4.728 -2.529 -6.926 151 HB2 GLN 19 2HB GLN 19 2.709 -3.696 -7.780 152 HB3 GLN 19 3HB GLN 19 3.676 -4.469 -9.028 153 HG2 GLN 19 2HG GLN 19 5.029 -5.482 -7.061 154 HG3 GLN 19 3HG GLN 19 3.665 -5.001 -6.056 155 HE21 GLN 19 1HE2 GLN 19 1.697 -5.569 -8.218 156 HE22 GLN 19 2HE2 GLN 19 1.608 -7.291 -8.325 157 H GLU 20 H GLU 20 5.550 -3.728 -10.181 158 HA GLU 20 HA GLU 20 7.772 -5.314 -9.432 159 HB2 GLU 20 2HB GLU 20 7.025 -4.114 -12.132 160 HB3 GLU 20 3HB GLU 20 8.238 -5.365 -11.896 161 HG2 GLU 20 2HG GLU 20 5.280 -5.616 -11.311 162 HG3 GLU 20 3HG GLU 20 6.137 -6.329 -12.674 163 H ARG 21 H ARG 21 7.496 -1.948 -10.430 164 HA ARG 21 HA ARG 21 10.252 -1.332 -10.734 165 HB2 ARG 21 2HB ARG 21 7.921 0.447 -9.900 166 HB3 ARG 21 3HB ARG 21 9.506 1.040 -10.384 167 HG2 ARG 21 2HG ARG 21 9.181 0.169 -12.644 168 HG3 ARG 21 3HG ARG 21 7.635 -0.534 -12.172 169 HD2 ARG 21 2HD ARG 21 6.827 1.797 -11.631 170 HD3 ARG 21 3HD ARG 21 8.337 2.415 -12.316 171 HE ARG 21 HE ARG 21 7.074 0.730 -14.194 172 HH11 ARG 21 1HH1 ARG 21 6.631 3.899 -12.723 173 HH12 ARG 21 2HH1 ARG 21 5.786 4.552 -14.094 174 HH21 ARG 21 1HH2 ARG 21 5.987 1.610 -16.014 175 HH22 ARG 21 2HH2 ARG 21 5.422 3.253 -15.956 176 H ALA 22 H ALA 22 8.036 -1.134 -7.973 177 HA ALA 22 HA ALA 22 9.872 0.071 -6.140 178 HB1 ALA 22 3HB ALA 22 7.250 -1.376 -5.616 179 HB2 ALA 22 1HB ALA 22 7.432 0.343 -5.969 180 HB3 ALA 22 2HB ALA 22 8.101 -0.323 -4.481 181 H LYS 23 H LYS 23 8.809 -3.256 -6.753 182 HA LYS 23 HA LYS 23 10.194 -4.535 -4.628 183 HB2 LYS 23 2HB LYS 23 9.142 -5.609 -7.287 184 HB3 LYS 23 3HB LYS 23 9.876 -6.639 -6.062 185 HG2 LYS 23 2HG LYS 23 8.092 -5.968 -4.449 186 HG3 LYS 23 3HG LYS 23 7.357 -4.980 -5.711 187 HD2 LYS 23 2HD LYS 23 6.163 -7.103 -5.523 188 HD3 LYS 23 3HD LYS 23 6.980 -7.013 -7.084 189 HE2 LYS 23 2HE LYS 23 7.202 -9.247 -6.100 190 HE3 LYS 23 3HE LYS 23 8.779 -8.469 -6.221 191 HZ1 LYS 23 3HZ LYS 23 8.609 -7.900 -3.860 192 HZ2 LYS 23 1HZ LYS 23 8.518 -9.572 -4.100 193 HZ3 LYS 23 2HZ LYS 23 7.117 -8.687 -3.768 194 H HIS 24 H HIS 24 11.147 -3.625 -7.920 195 HA HIS 24 HA HIS 24 13.584 -5.106 -7.999 196 HB2 HIS 24 2HB HIS 24 12.429 -4.331 -10.048 197 HB3 HIS 24 3HB HIS 24 12.721 -2.653 -9.607 198 HD1 HIS 24 HD1 HIS 24 14.386 -5.682 -11.057 199 HD2 HIS 24 HD2 HIS 24 15.374 -1.753 -10.111 200 HE1 HIS 24 HE1 HIS 24 16.626 -5.274 -12.110 201 HE2 HIS 24 HE2 HIS 24 17.243 -2.931 -11.451 202 H ASN 25 H ASN 25 12.818 -1.705 -7.220 203 HA ASN 25 HA ASN 25 15.628 -0.976 -6.925 204 HB2 ASN 25 2HB ASN 25 13.091 0.672 -6.530 205 HB3 ASN 25 3HB ASN 25 14.728 1.325 -6.485 206 HD21 ASN 25 1HD2 ASN 25 12.542 2.012 -8.259 207 HD22 ASN 25 2HD2 ASN 25 13.090 1.715 -9.869 208 H TYR 26 H TYR 26 12.934 -1.721 -4.839 209 HA TYR 26 HA TYR 26 14.531 -1.092 -2.412 210 HB2 TYR 26 2HB TYR 26 11.484 -1.015 -2.694 211 HB3 TYR 26 3HB TYR 26 12.407 -0.599 -1.255 212 HD1 TYR 26 HD1 TYR 26 13.791 1.517 -1.224 213 HD2 TYR 26 HD2 TYR 26 11.189 0.586 -4.488 214 HE1 TYR 26 HE1 TYR 26 13.936 3.843 -2.009 215 HE2 TYR 26 HE2 TYR 26 11.332 2.914 -5.263 216 HH TYR 26 HH TYR 26 13.671 5.111 -4.023 217 HA PRO 27 HA PRO 27 14.029 -5.403 -1.238 218 HB2 PRO 27 2HB PRO 27 13.751 -5.218 1.517 219 HB3 PRO 27 3HB PRO 27 15.300 -5.027 0.675 220 HG2 PRO 27 2HG PRO 27 13.434 -2.895 1.650 221 HG3 PRO 27 3HG PRO 27 15.203 -2.996 1.813 222 HD2 PRO 27 2HD PRO 27 14.090 -1.445 -0.079 223 HD3 PRO 27 3HD PRO 27 15.582 -2.353 -0.410 224 H GLY 28 H GLY 28 12.416 -6.914 -0.766 225 HA2 GLY 28 2HA GLY 28 9.654 -6.043 -0.813 226 HA3 GLY 28 3HA GLY 28 10.242 -7.698 -0.794 227 H ARG 29 H ARG 29 10.445 -4.918 1.369 228 HA ARG 29 HA ARG 29 9.413 -6.494 3.657 229 HB2 ARG 29 2HB ARG 29 11.576 -4.319 3.710 230 HB3 ARG 29 3HB ARG 29 10.932 -5.157 5.120 231 HG2 ARG 29 2HG ARG 29 11.885 -7.274 4.342 232 HG3 ARG 29 3HG ARG 29 12.471 -6.494 2.872 233 HD2 ARG 29 2HD ARG 29 13.921 -5.016 4.288 234 HD3 ARG 29 3HD ARG 29 13.390 -5.920 5.713 235 HE ARG 29 HE ARG 29 14.320 -7.879 4.109 236 HH11 ARG 29 1HH1 ARG 29 15.798 -4.841 5.113 237 HH12 ARG 29 2HH1 ARG 29 17.415 -5.462 5.021 238 HH21 ARG 29 1HH2 ARG 29 16.459 -8.684 4.019 239 HH22 ARG 29 2HH2 ARG 29 17.790 -7.639 4.400 240 H TYR 30 H TYR 30 9.939 -3.325 2.190 241 HA TYR 30 HA TYR 30 7.820 -2.048 3.736 242 HB2 TYR 30 2HB TYR 30 9.732 -0.929 1.639 243 HB3 TYR 30 3HB TYR 30 8.586 0.025 2.579 244 HD1 TYR 30 HD1 TYR 30 8.939 0.379 5.020 245 HD2 TYR 30 HD2 TYR 30 11.819 -1.731 2.665 246 HE1 TYR 30 HE1 TYR 30 10.595 0.611 6.823 247 HE2 TYR 30 HE2 TYR 30 13.469 -1.489 4.472 248 HH TYR 30 HH TYR 30 13.893 0.015 6.400 249 H ILE 31 H ILE 31 8.241 -3.582 0.700 250 HA ILE 31 HA ILE 31 5.784 -2.398 -0.440 251 HB ILE 31 HB ILE 31 8.005 -4.031 -1.777 252 HG12 ILE 31 2HG1 ILE 31 8.203 -1.934 -3.241 253 HG13 ILE 31 3HG1 ILE 31 7.136 -1.120 -2.107 254 HG21 ILE 31 1HG2 ILE 31 5.868 -4.730 -2.755 255 HG22 ILE 31 2HG2 ILE 31 6.766 -3.755 -3.917 256 HG23 ILE 31 3HG2 ILE 31 5.414 -3.046 -3.034 257 HD11 ILE 31 3HD1 ILE 31 9.478 -0.556 -1.744 258 HD12 ILE 31 1HD1 ILE 31 9.861 -2.256 -1.471 259 HD13 ILE 31 2HD1 ILE 31 8.808 -1.395 -0.346 260 H ARG 32 H ARG 32 3.963 -3.556 -0.282 261 HA ARG 32 HA ARG 32 3.984 -6.486 -0.368 262 HB2 ARG 32 2HB ARG 32 3.971 -5.905 2.032 263 HB3 ARG 32 3HB ARG 32 2.648 -4.770 1.784 264 HG2 ARG 32 2HG ARG 32 1.831 -6.814 2.824 265 HG3 ARG 32 3HG ARG 32 1.142 -6.631 1.212 266 HD2 ARG 32 2HD ARG 32 2.860 -8.248 0.366 267 HD3 ARG 32 3HD ARG 32 3.394 -8.506 2.027 268 HE ARG 32 HE ARG 32 0.890 -9.406 0.795 269 HH11 ARG 32 1HH1 ARG 32 2.810 -9.169 3.733 270 HH12 ARG 32 2HH1 ARG 32 1.904 -10.398 4.555 271 HH21 ARG 32 1HH2 ARG 32 -0.246 -11.045 1.872 272 HH22 ARG 32 2HH2 ARG 32 0.183 -11.454 3.506 273 H THR 33 H THR 33 1.993 -7.354 -1.115 274 HA THR 33 HA THR 33 0.067 -5.478 -2.361 275 HB THR 33 HB THR 33 -0.556 -7.536 -3.755 276 HG1 THR 33 HG1 THR 33 1.157 -9.185 -3.752 277 HG21 THR 33 3HG2 THR 33 2.332 -6.594 -3.990 278 HG22 THR 33 1HG2 THR 33 0.926 -5.798 -4.704 279 HG23 THR 33 2HG2 THR 33 1.407 -7.402 -5.256 280 H ALA 34 H ALA 34 -2.016 -5.542 -1.704 281 HA ALA 34 HA ALA 34 -2.988 -7.678 0.094 282 HB1 ALA 34 3HB ALA 34 -4.049 -4.854 -0.260 283 HB2 ALA 34 1HB ALA 34 -3.090 -5.437 1.101 284 HB3 ALA 34 2HB ALA 34 -4.713 -6.075 0.829 285 H THR 35 H THR 35 -4.081 -9.167 -1.015 286 HA THR 35 HA THR 35 -5.892 -8.349 -3.222 287 HB THR 35 HB THR 35 -3.929 -9.706 -4.004 288 HG1 THR 35 HG1 THR 35 -5.917 -9.781 -5.119 289 HG21 THR 35 3HG2 THR 35 -5.150 -11.979 -2.393 290 HG22 THR 35 1HG2 THR 35 -3.609 -11.189 -2.049 291 HG23 THR 35 2HG2 THR 35 -3.813 -12.118 -3.536 292 H SER 36 H SER 36 -5.590 -9.879 -0.156 293 HA SER 36 HA SER 36 -8.451 -10.421 0.007 294 HB2 SER 36 2HB SER 36 -6.341 -12.583 0.454 295 HB3 SER 36 3HB SER 36 -8.046 -12.749 0.881 296 HG SER 36 HG SER 36 -8.078 -12.013 -1.610 297 H SER 37 H SER 37 -9.053 -11.107 2.250 298 HA SER 37 HA SER 37 -8.235 -9.374 4.265 299 HB2 SER 37 2HB SER 37 -10.415 -10.519 4.287 300 HB3 SER 37 3HB SER 37 -9.628 -12.081 4.497 301 HG SER 37 HG SER 37 -9.640 -11.718 6.554 302 H GLN 38 H GLN 38 -7.058 -12.559 3.424 303 HA GLN 38 HA GLN 38 -5.603 -13.271 5.698 304 HB2 GLN 38 2HB GLN 38 -5.084 -13.906 2.760 305 HB3 GLN 38 3HB GLN 38 -4.195 -14.652 4.080 306 HG2 GLN 38 2HG GLN 38 -5.854 -16.219 3.404 307 HG3 GLN 38 3HG GLN 38 -6.407 -15.548 4.939 308 HE21 GLN 38 1HE2 GLN 38 -8.283 -14.258 4.956 309 HE22 GLN 38 2HE2 GLN 38 -9.355 -14.171 3.602 310 H ASP 39 H ASP 39 -4.584 -11.494 2.762 311 HA ASP 39 HA ASP 39 -1.959 -10.866 3.498 312 HB2 ASP 39 2HB ASP 39 -3.826 -9.144 1.783 313 HB3 ASP 39 3HB ASP 39 -2.064 -9.067 1.803 314 H ILE 40 H ILE 40 -4.944 -8.917 3.841 315 HA ILE 40 HA ILE 40 -3.908 -6.539 4.833 316 HB ILE 40 HB ILE 40 -6.567 -7.870 5.547 317 HG12 ILE 40 2HG1 ILE 40 -6.010 -5.768 3.399 318 HG13 ILE 40 3HG1 ILE 40 -6.134 -7.495 3.083 319 HG21 ILE 40 1HG2 ILE 40 -5.783 -4.945 5.872 320 HG22 ILE 40 2HG2 ILE 40 -6.104 -6.096 7.173 321 HG23 ILE 40 3HG2 ILE 40 -7.408 -5.597 6.097 322 HD11 ILE 40 3HD1 ILE 40 -8.190 -6.405 2.527 323 HD12 ILE 40 1HD1 ILE 40 -8.320 -5.721 4.146 324 HD13 ILE 40 2HD1 ILE 40 -8.443 -7.467 3.908 325 H ARG 41 H ARG 41 -5.319 -9.188 6.762 326 HA ARG 41 HA ARG 41 -4.767 -8.174 9.301 327 HB2 ARG 41 2HB ARG 41 -5.541 -10.876 8.226 328 HB3 ARG 41 3HB ARG 41 -4.894 -10.831 9.863 329 HG2 ARG 41 2HG ARG 41 -7.311 -10.743 9.973 330 HG3 ARG 41 3HG ARG 41 -6.650 -9.199 10.498 331 HD2 ARG 41 2HD ARG 41 -7.142 -8.328 8.142 332 HD3 ARG 41 3HD ARG 41 -8.038 -9.829 7.872 333 HE ARG 41 HE ARG 41 -8.771 -8.303 10.239 334 HH11 ARG 41 1HH1 ARG 41 -9.580 -8.952 6.860 335 HH12 ARG 41 2HH1 ARG 41 -11.187 -8.317 7.016 336 HH21 ARG 41 1HH2 ARG 41 -10.836 -7.421 10.393 337 HH22 ARG 41 2HH2 ARG 41 -11.897 -7.450 9.015 338 H ASP 42 H ASP 42 -2.704 -10.051 7.131 339 HA ASP 42 HA ASP 42 -0.650 -10.602 9.085 340 HB2 ASP 42 2HB ASP 42 -1.027 -12.055 7.099 341 HB3 ASP 42 3HB ASP 42 -0.571 -10.738 6.032 342 H ILE 43 H ILE 43 -1.217 -8.090 6.639 343 HA ILE 43 HA ILE 43 1.317 -6.872 6.505 344 HB ILE 43 HB ILE 43 -1.510 -5.791 6.064 345 HG12 ILE 43 2HG1 ILE 43 0.649 -6.485 4.028 346 HG13 ILE 43 3HG1 ILE 43 -0.656 -7.566 4.494 347 HG21 ILE 43 1HG2 ILE 43 -0.098 -3.865 6.620 348 HG22 ILE 43 2HG2 ILE 43 -0.569 -3.833 4.921 349 HG23 ILE 43 3HG2 ILE 43 1.059 -4.340 5.373 350 HD11 ILE 43 3HD1 ILE 43 -2.282 -5.923 3.630 351 HD12 ILE 43 1HD1 ILE 43 -1.167 -6.515 2.399 352 HD13 ILE 43 2HD1 ILE 43 -0.937 -4.910 3.094 353 H ILE 44 H ILE 44 -1.532 -5.987 8.379 354 HA ILE 44 HA ILE 44 -0.214 -3.875 9.812 355 HB ILE 44 HB ILE 44 -3.015 -5.051 10.015 356 HG12 ILE 44 2HG1 ILE 44 -2.018 -2.491 8.659 357 HG13 ILE 44 3HG1 ILE 44 -2.326 -4.001 7.811 358 HG21 ILE 44 1HG2 ILE 44 -1.947 -2.486 11.246 359 HG22 ILE 44 2HG2 ILE 44 -2.408 -3.944 12.133 360 HG23 ILE 44 3HG2 ILE 44 -3.630 -3.015 11.256 361 HD11 ILE 44 3HD1 ILE 44 -4.114 -2.404 7.521 362 HD12 ILE 44 1HD1 ILE 44 -4.386 -2.364 9.265 363 HD13 ILE 44 2HD1 ILE 44 -4.669 -3.852 8.358 364 H LYS 45 H LYS 45 -0.917 -7.263 10.382 365 HA LYS 45 HA LYS 45 -0.339 -7.521 13.101 366 HB2 LYS 45 2HB LYS 45 -0.537 -9.289 10.828 367 HB3 LYS 45 3HB LYS 45 0.946 -9.707 11.657 368 HG2 LYS 45 2HG LYS 45 -1.797 -9.587 12.936 369 HG3 LYS 45 3HG LYS 45 -1.013 -11.055 12.362 370 HD2 LYS 45 2HD LYS 45 0.081 -9.272 14.568 371 HD3 LYS 45 3HD LYS 45 -0.865 -10.730 14.832 372 HE2 LYS 45 2HE LYS 45 1.370 -11.393 15.149 373 HE3 LYS 45 3HE LYS 45 0.959 -11.978 13.542 374 HZ1 LYS 45 3HZ LYS 45 3.179 -10.921 13.740 375 HZ2 LYS 45 1HZ LYS 45 2.423 -9.441 14.048 376 HZ3 LYS 45 2HZ LYS 45 2.201 -10.218 12.559 377 H SER 46 H SER 46 1.806 -7.136 10.320 378 HA SER 46 HA SER 46 4.271 -7.269 11.796 379 HB2 SER 46 2HB SER 46 3.739 -6.098 9.029 380 HB3 SER 46 3HB SER 46 5.310 -6.579 9.682 381 HG SER 46 HG SER 46 3.214 -8.449 9.582 382 H MET 47 H MET 47 2.032 -4.692 10.723 383 HA MET 47 HA MET 47 3.830 -2.511 11.313 384 HB2 MET 47 2HB MET 47 0.841 -2.479 10.727 385 HB3 MET 47 3HB MET 47 1.836 -1.036 10.906 386 HG2 MET 47 2HG MET 47 2.118 -3.151 8.762 387 HG3 MET 47 3HG MET 47 1.496 -1.515 8.555 388 HE1 MET 47 3HE MET 47 3.559 0.268 10.278 389 HE2 MET 47 1HE MET 47 3.036 0.690 8.645 390 HE3 MET 47 2HE MET 47 4.755 0.656 9.042 391 H LYS 48 H LYS 48 1.795 -4.449 13.250 392 HA LYS 48 HA LYS 48 1.138 -2.852 15.429 393 HB2 LYS 48 2HB LYS 48 2.053 -5.753 15.305 394 HB3 LYS 48 3HB LYS 48 1.548 -5.007 16.818 395 HG2 LYS 48 2HG LYS 48 -0.697 -4.647 15.957 396 HG3 LYS 48 3HG LYS 48 -0.222 -5.249 14.364 397 HD2 LYS 48 2HD LYS 48 0.162 -7.476 15.240 398 HD3 LYS 48 3HD LYS 48 -0.084 -6.930 16.901 399 HE2 LYS 48 2HE LYS 48 -2.218 -6.898 14.748 400 HE3 LYS 48 3HE LYS 48 -2.022 -8.180 15.943 401 HZ1 LYS 48 3HZ LYS 48 -2.542 -6.691 17.675 402 HZ2 LYS 48 1HZ LYS 48 -3.713 -6.442 16.484 403 HZ3 LYS 48 2HZ LYS 48 -2.444 -5.349 16.670 404 H ASP 49 H ASP 49 4.218 -4.329 14.596 405 HA ASP 49 HA ASP 49 5.559 -3.132 16.938 406 HB2 ASP 49 2HB ASP 49 6.607 -5.183 14.933 407 HB3 ASP 49 3HB ASP 49 7.442 -4.625 16.386 408 H ASN 50 H ASN 50 5.496 -3.011 13.408 409 HA ASN 50 HA ASN 50 7.982 -1.767 12.939 410 HB2 ASN 50 2HB ASN 50 5.443 -1.659 11.253 411 HB3 ASN 50 3HB ASN 50 7.008 -1.058 10.713 412 HD21 ASN 50 1HD2 ASN 50 5.410 -3.082 9.479 413 HD22 ASN 50 2HD2 ASN 50 6.368 -4.519 9.466 414 H GLY 51 H GLY 51 8.658 0.209 13.483 415 HA2 GLY 51 2HA GLY 51 6.785 2.511 13.652 416 HA3 GLY 51 3HA GLY 51 8.425 2.450 14.295 417 H LYS 52 H LYS 52 7.362 1.367 11.144 418 HA LYS 52 HA LYS 52 9.326 3.165 9.831 419 HB2 LYS 52 2HB LYS 52 8.585 0.273 9.192 420 HB3 LYS 52 3HB LYS 52 9.729 1.249 8.277 421 HG2 LYS 52 2HG LYS 52 11.257 1.323 10.190 422 HG3 LYS 52 3HG LYS 52 10.101 0.433 11.185 423 HD2 LYS 52 2HD LYS 52 11.517 -0.617 8.699 424 HD3 LYS 52 3HD LYS 52 11.841 -1.095 10.368 425 HE2 LYS 52 2HE LYS 52 9.543 -2.008 10.543 426 HE3 LYS 52 3HE LYS 52 9.241 -1.549 8.866 427 HZ1 LYS 52 3HZ LYS 52 11.109 -3.034 8.242 428 HZ2 LYS 52 1HZ LYS 52 9.798 -3.842 8.939 429 HZ3 LYS 52 2HZ LYS 52 11.188 -3.550 9.848 430 HA PRO 53 HA PRO 53 5.969 3.813 6.728 431 HB2 PRO 53 2HB PRO 53 7.258 3.923 4.341 432 HB3 PRO 53 3HB PRO 53 7.447 5.216 5.543 433 HG2 PRO 53 2HG PRO 53 9.265 2.887 5.007 434 HG3 PRO 53 3HG PRO 53 9.675 4.611 5.186 435 HD2 PRO 53 2HD PRO 53 9.953 2.872 7.252 436 HD3 PRO 53 3HD PRO 53 9.475 4.565 7.517 437 H LEU 54 H LEU 54 4.997 2.772 4.804 438 HA LEU 54 HA LEU 54 5.929 0.182 3.944 439 HB2 LEU 54 2HB LEU 54 4.518 -0.119 6.155 440 HB3 LEU 54 3HB LEU 54 3.137 0.292 5.158 441 HG LEU 54 HG LEU 54 3.823 -1.677 3.640 442 HD11 LEU 54 1HD1 LEU 54 6.124 -1.934 4.442 443 HD12 LEU 54 2HD1 LEU 54 5.205 -3.426 4.619 444 HD13 LEU 54 3HD1 LEU 54 5.526 -2.419 6.033 445 HD21 LEU 54 3HD2 LEU 54 1.901 -1.774 5.154 446 HD22 LEU 54 1HD2 LEU 54 2.947 -2.322 6.465 447 HD23 LEU 54 2HD2 LEU 54 2.713 -3.333 5.035 448 H VAL 55 H VAL 55 4.412 -0.632 2.198 449 HA VAL 55 HA VAL 55 2.793 1.421 0.861 450 HB VAL 55 HB VAL 55 5.097 -0.015 -0.581 451 HG11 VAL 55 1HG1 VAL 55 4.419 1.279 -2.566 452 HG12 VAL 55 2HG1 VAL 55 3.043 1.941 -1.680 453 HG13 VAL 55 3HG1 VAL 55 3.126 0.210 -2.021 454 HG21 VAL 55 3HG2 VAL 55 5.948 1.858 0.776 455 HG22 VAL 55 1HG2 VAL 55 4.800 2.959 0.008 456 HG23 VAL 55 2HG2 VAL 55 6.088 2.213 -0.944 457 H VAL 56 H VAL 56 0.930 0.327 0.792 458 HA VAL 56 HA VAL 56 0.922 -2.554 0.124 459 HB VAL 56 HB VAL 56 -1.172 -0.874 1.578 460 HG11 VAL 56 1HG1 VAL 56 -2.323 -2.525 0.178 461 HG12 VAL 56 2HG1 VAL 56 -2.451 -2.972 1.878 462 HG13 VAL 56 3HG1 VAL 56 -1.312 -3.818 0.829 463 HG21 VAL 56 3HG2 VAL 56 0.792 -1.460 2.941 464 HG22 VAL 56 1HG2 VAL 56 0.575 -3.168 2.546 465 HG23 VAL 56 2HG2 VAL 56 -0.640 -2.318 3.504 466 H PHE 57 H PHE 57 0.679 -2.829 -1.961 467 HA PHE 57 HA PHE 57 -0.891 -1.114 -3.705 468 HB2 PHE 57 2HB PHE 57 0.685 -3.692 -4.167 469 HB3 PHE 57 3HB PHE 57 -0.179 -2.846 -5.440 470 HD1 PHE 57 HD1 PHE 57 0.493 -0.429 -5.955 471 HD2 PHE 57 HD2 PHE 57 2.947 -3.060 -3.640 472 HE1 PHE 57 HE1 PHE 57 2.440 1.001 -6.383 473 HE2 PHE 57 HE2 PHE 57 4.897 -1.606 -4.075 474 HZ PHE 57 HZ PHE 57 4.641 0.425 -5.442 475 H VAL 58 H VAL 58 -3.069 -1.373 -3.796 476 HA VAL 58 HA VAL 58 -4.407 -3.772 -2.872 477 HB VAL 58 HB VAL 58 -5.600 -1.319 -4.260 478 HG11 VAL 58 1HG1 VAL 58 -6.998 -3.490 -2.654 479 HG12 VAL 58 2HG1 VAL 58 -7.116 -3.244 -4.395 480 HG13 VAL 58 3HG1 VAL 58 -7.764 -2.031 -3.293 481 HG21 VAL 58 3HG2 VAL 58 -4.467 -0.679 -2.184 482 HG22 VAL 58 1HG2 VAL 58 -5.370 -1.904 -1.288 483 HG23 VAL 58 2HG2 VAL 58 -6.216 -0.527 -2.003 484 H ASN 59 H ASN 59 -3.523 -5.330 -4.279 485 HA ASN 59 HA ASN 59 -3.907 -5.060 -7.178 486 HB2 ASN 59 2HB ASN 59 -1.625 -5.510 -6.215 487 HB3 ASN 59 3HB ASN 59 -2.218 -7.041 -5.587 488 HD21 ASN 59 1HD2 ASN 59 -0.036 -6.660 -7.400 489 HD22 ASN 59 2HD2 ASN 59 -0.425 -7.496 -8.863 490 H GLY 60 H GLY 60 -5.950 -5.752 -7.668 491 HA2 GLY 60 2HA GLY 60 -7.604 -7.251 -8.204 492 HA3 GLY 60 3HA GLY 60 -6.489 -8.538 -7.776 493 H ALA 61 H ALA 61 -8.182 -5.933 -6.048 494 HA ALA 61 HA ALA 61 -9.317 -7.866 -4.109 495 HB1 ALA 61 3HB ALA 61 -7.885 -5.276 -3.365 496 HB2 ALA 61 1HB ALA 61 -7.271 -6.909 -3.105 497 HB3 ALA 61 2HB ALA 61 -8.706 -6.363 -2.243 498 H SER 62 H SER 62 -10.779 -6.327 -2.552 499 HA SER 62 HA SER 62 -12.695 -4.979 -4.376 500 HB2 SER 62 2HB SER 62 -13.517 -7.168 -3.577 501 HB3 SER 62 3HB SER 62 -13.210 -6.705 -1.904 502 HG SER 62 HG SER 62 -15.421 -6.484 -2.564 503 H GLN 63 H GLN 63 -14.198 -3.461 -3.161 504 HA GLN 63 HA GLN 63 -12.878 -1.495 -1.628 505 HB2 GLN 63 2HB GLN 63 -14.876 -1.002 -3.027 506 HB3 GLN 63 3HB GLN 63 -15.883 -1.962 -1.949 507 HG2 GLN 63 2HG GLN 63 -16.134 0.463 -1.533 508 HG3 GLN 63 3HG GLN 63 -15.490 -0.380 -0.120 509 HE21 GLN 63 1HE2 GLN 63 -14.497 1.427 0.768 510 HE22 GLN 63 2HE2 GLN 63 -13.137 2.211 0.046 511 H ASN 64 H ASN 64 -14.781 -4.324 -0.750 512 HA ASN 64 HA ASN 64 -15.059 -4.102 1.995 513 HB2 ASN 64 2HB ASN 64 -15.918 -6.045 0.739 514 HB3 ASN 64 3HB ASN 64 -14.277 -6.567 0.362 515 HD21 ASN 64 1HD2 ASN 64 -14.831 -8.600 1.322 516 HD22 ASN 64 2HD2 ASN 64 -14.827 -8.799 3.035 517 H ASP 65 H ASP 65 -12.193 -5.147 0.144 518 HA ASP 65 HA ASP 65 -10.537 -5.748 2.385 519 HB2 ASP 65 2HB ASP 65 -9.783 -5.122 -0.506 520 HB3 ASP 65 3HB ASP 65 -8.654 -5.715 0.717 521 H VAL 66 H VAL 66 -10.897 -2.882 0.321 522 HA VAL 66 HA VAL 66 -8.877 -1.242 1.381 523 HB VAL 66 HB VAL 66 -11.625 -0.407 0.316 524 HG11 VAL 66 1HG1 VAL 66 -9.160 1.326 0.760 525 HG12 VAL 66 2HG1 VAL 66 -10.681 1.425 1.648 526 HG13 VAL 66 3HG1 VAL 66 -10.636 1.839 -0.064 527 HG21 VAL 66 3HG2 VAL 66 -8.933 -0.561 -1.101 528 HG22 VAL 66 1HG2 VAL 66 -10.438 0.030 -1.814 529 HG23 VAL 66 2HG2 VAL 66 -10.293 -1.661 -1.333 530 H ASN 67 H ASN 67 -12.274 -1.625 2.430 531 HA ASN 67 HA ASN 67 -12.212 0.266 4.542 532 HB2 ASN 67 2HB ASN 67 -14.119 -2.053 4.012 533 HB3 ASN 67 3HB ASN 67 -14.385 -0.826 5.252 534 HD21 ASN 67 1HD2 ASN 67 -15.982 -1.497 2.889 535 HD22 ASN 67 2HD2 ASN 67 -16.127 -0.042 1.972 536 H GLU 68 H GLU 68 -11.685 -3.253 4.468 537 HA GLU 68 HA GLU 68 -11.570 -3.671 7.268 538 HB2 GLU 68 2HB GLU 68 -10.219 -5.287 5.058 539 HB3 GLU 68 3HB GLU 68 -10.389 -5.804 6.730 540 HG2 GLU 68 2HG GLU 68 -12.585 -5.403 4.705 541 HG3 GLU 68 3HG GLU 68 -12.055 -6.918 5.416 542 H PHE 69 H PHE 69 -9.065 -2.996 4.838 543 HA PHE 69 HA PHE 69 -6.782 -3.147 6.431 544 HB2 PHE 69 2HB PHE 69 -6.708 -2.930 3.950 545 HB3 PHE 69 3HB PHE 69 -7.284 -1.271 4.063 546 HD1 PHE 69 HD1 PHE 69 -4.417 -3.526 4.706 547 HD2 PHE 69 HD2 PHE 69 -5.749 0.542 4.673 548 HE1 PHE 69 HE1 PHE 69 -2.099 -2.752 4.935 549 HE2 PHE 69 HE2 PHE 69 -3.419 1.301 4.901 550 HZ PHE 69 HZ PHE 69 -1.606 -0.350 5.043 551 H GLN 70 H GLN 70 -8.740 -0.293 5.613 552 HA GLN 70 HA GLN 70 -7.567 1.630 7.187 553 HB2 GLN 70 2HB GLN 70 -10.510 1.314 6.477 554 HB3 GLN 70 3HB GLN 70 -9.803 2.790 7.129 555 HG2 GLN 70 2HG GLN 70 -8.348 2.995 5.153 556 HG3 GLN 70 3HG GLN 70 -9.001 1.492 4.503 557 HE21 GLN 70 1HE2 GLN 70 -11.151 1.484 3.709 558 HE22 GLN 70 2HE2 GLN 70 -11.968 2.941 3.284 559 H ASN 71 H ASN 71 -10.068 -0.718 8.194 560 HA ASN 71 HA ASN 71 -10.475 0.277 10.835 561 HB2 ASN 71 2HB ASN 71 -10.943 -2.532 9.737 562 HB3 ASN 71 3HB ASN 71 -11.502 -1.971 11.312 563 HD21 ASN 71 1HD2 ASN 71 -13.024 -2.965 9.086 564 HD22 ASN 71 2HD2 ASN 71 -14.148 -1.726 8.669 565 H GLU 72 H GLU 72 -8.778 -2.702 9.858 566 HA GLU 72 HA GLU 72 -7.586 -3.393 12.186 567 HB2 GLU 72 2HB GLU 72 -6.299 -3.680 9.455 568 HB3 GLU 72 3HB GLU 72 -5.918 -4.637 10.872 569 HG2 GLU 72 2HG GLU 72 -8.520 -4.646 9.341 570 HG3 GLU 72 3HG GLU 72 -7.291 -5.902 9.312 571 H ALA 73 H ALA 73 -6.219 -1.049 9.828 572 HA ALA 73 HA ALA 73 -3.796 -0.594 11.210 573 HB1 ALA 73 3HB ALA 73 -4.103 -0.062 8.838 574 HB2 ALA 73 1HB ALA 73 -3.559 1.357 9.733 575 HB3 ALA 73 2HB ALA 73 -5.254 1.212 9.254 576 H LYS 74 H LYS 74 -6.813 1.331 11.127 577 HA LYS 74 HA LYS 74 -5.931 3.428 12.778 578 HB2 LYS 74 2HB LYS 74 -8.192 4.235 12.818 579 HB3 LYS 74 3HB LYS 74 -7.934 3.515 11.236 580 HG2 LYS 74 2HG LYS 74 -9.086 1.431 12.122 581 HG3 LYS 74 3HG LYS 74 -9.518 2.368 13.546 582 HD2 LYS 74 2HD LYS 74 -10.360 2.973 10.682 583 HD3 LYS 74 3HD LYS 74 -11.382 2.281 11.938 584 HE2 LYS 74 2HE LYS 74 -11.111 4.385 13.259 585 HE3 LYS 74 3HE LYS 74 -10.192 5.070 11.919 586 HZ1 LYS 74 3HZ LYS 74 -12.129 4.878 10.508 587 HZ2 LYS 74 1HZ LYS 74 -12.536 5.750 11.898 588 HZ3 LYS 74 2HZ LYS 74 -13.012 4.135 11.740 589 H LYS 75 H LYS 75 -7.237 0.263 13.678 590 HA LYS 75 HA LYS 75 -7.839 1.007 16.414 591 HB2 LYS 75 2HB LYS 75 -8.356 -1.311 16.816 592 HB3 LYS 75 3HB LYS 75 -9.022 -0.864 15.255 593 HG2 LYS 75 2HG LYS 75 -7.259 -2.063 14.092 594 HG3 LYS 75 3HG LYS 75 -6.418 -2.372 15.608 595 HD2 LYS 75 2HD LYS 75 -7.495 -4.412 15.009 596 HD3 LYS 75 3HD LYS 75 -8.433 -3.740 16.339 597 HE2 LYS 75 2HE LYS 75 -9.185 -3.488 13.410 598 HE3 LYS 75 3HE LYS 75 -9.805 -4.732 14.492 599 HZ1 LYS 75 3HZ LYS 75 -11.400 -3.002 14.369 600 HZ2 LYS 75 1HZ LYS 75 -10.251 -1.807 14.698 601 HZ3 LYS 75 2HZ LYS 75 -10.692 -2.908 15.901 602 H GLU 76 H GLU 76 -5.035 -0.203 14.725 603 HA GLU 76 HA GLU 76 -3.487 -0.738 17.139 604 HB2 GLU 76 2HB GLU 76 -2.539 -0.526 14.244 605 HB3 GLU 76 3HB GLU 76 -1.625 -1.185 15.592 606 HG2 GLU 76 2HG GLU 76 -4.083 -2.368 14.304 607 HG3 GLU 76 3HG GLU 76 -2.438 -2.991 14.236 608 H GLY 77 H GLY 77 -4.512 2.046 15.672 609 HA2 GLY 77 2HA GLY 77 -3.886 4.242 15.739 610 HA3 GLY 77 3HA GLY 77 -2.606 3.794 16.853 611 H VAL 78 H VAL 78 -2.521 2.082 13.884 612 HA VAL 78 HA VAL 78 -0.119 3.399 12.995 613 HB VAL 78 HB VAL 78 -1.785 1.272 11.556 614 HG11 VAL 78 1HG1 VAL 78 -0.366 2.512 9.987 615 HG12 VAL 78 2HG1 VAL 78 0.229 0.863 10.184 616 HG13 VAL 78 3HG1 VAL 78 1.053 2.201 10.989 617 HG21 VAL 78 3HG2 VAL 78 -0.142 -0.372 12.363 618 HG22 VAL 78 1HG2 VAL 78 -0.921 0.448 13.717 619 HG23 VAL 78 2HG2 VAL 78 0.718 0.894 13.243 620 H SER 79 H SER 79 0.050 4.976 11.509 621 HA SER 79 HA SER 79 -2.308 6.320 10.498 622 HB2 SER 79 2HB SER 79 -0.226 7.534 11.291 623 HB3 SER 79 3HB SER 79 0.645 6.861 9.919 624 HG SER 79 HG SER 79 -1.215 8.927 10.025 625 H TYR 80 H TYR 80 -2.926 6.394 8.287 626 HA TYR 80 HA TYR 80 -1.406 4.920 6.267 627 HB2 TYR 80 2HB TYR 80 -3.431 3.635 5.510 628 HB3 TYR 80 3HB TYR 80 -2.863 3.141 7.098 629 HD1 TYR 80 HD1 TYR 80 -4.178 3.714 9.139 630 HD2 TYR 80 HD2 TYR 80 -5.666 4.648 5.240 631 HE1 TYR 80 HE1 TYR 80 -6.423 4.046 10.069 632 HE2 TYR 80 HE2 TYR 80 -7.911 4.977 6.184 633 HH TYR 80 HH TYR 80 -8.475 5.261 9.505 634 H ASP 81 H ASP 81 -1.641 5.789 4.282 635 HA ASP 81 HA ASP 81 -3.326 8.208 4.015 636 HB2 ASP 81 2HB ASP 81 -0.836 8.599 4.290 637 HB3 ASP 81 3HB ASP 81 -0.563 7.697 2.804 638 H VAL 82 H VAL 82 -4.843 7.976 2.479 639 HA VAL 82 HA VAL 82 -4.831 5.589 0.791 640 HB VAL 82 HB VAL 82 -7.057 7.619 1.353 641 HG11 VAL 82 1HG1 VAL 82 -8.592 5.985 0.319 642 HG12 VAL 82 2HG1 VAL 82 -7.220 4.961 -0.112 643 HG13 VAL 82 3HG1 VAL 82 -7.390 6.560 -0.836 644 HG21 VAL 82 3HG2 VAL 82 -6.659 4.802 2.456 645 HG22 VAL 82 1HG2 VAL 82 -8.046 5.849 2.776 646 HG23 VAL 82 2HG2 VAL 82 -6.445 6.305 3.355 647 H LEU 83 H LEU 83 -3.542 5.953 -0.896 648 HA LEU 83 HA LEU 83 -3.603 8.389 -2.509 649 HB2 LEU 83 2HB LEU 83 -1.421 7.430 -1.977 650 HB3 LEU 83 3HB LEU 83 -1.900 5.862 -2.604 651 HG LEU 83 HG LEU 83 -1.969 6.825 -4.911 652 HD11 LEU 83 1HD1 LEU 83 -1.001 9.008 -5.404 653 HD12 LEU 83 2HD1 LEU 83 -0.857 9.353 -3.680 654 HD13 LEU 83 3HD1 LEU 83 -2.451 9.153 -4.412 655 HD21 LEU 83 3HD2 LEU 83 0.464 6.972 -5.231 656 HD22 LEU 83 1HD2 LEU 83 0.034 5.662 -4.133 657 HD23 LEU 83 2HD2 LEU 83 0.691 7.170 -3.490 658 H LYS 84 H LYS 84 -5.547 8.360 -3.612 659 HA LYS 84 HA LYS 84 -6.189 6.053 -5.350 660 HB2 LYS 84 2HB LYS 84 -7.840 8.508 -4.625 661 HB3 LYS 84 3HB LYS 84 -8.361 7.249 -5.741 662 HG2 LYS 84 2HG LYS 84 -8.207 5.586 -3.890 663 HG3 LYS 84 3HG LYS 84 -7.791 6.897 -2.782 664 HD2 LYS 84 2HD LYS 84 -9.970 7.970 -3.213 665 HD3 LYS 84 3HD LYS 84 -10.382 6.695 -4.366 666 HE2 LYS 84 2HE LYS 84 -10.230 5.031 -2.523 667 HE3 LYS 84 3HE LYS 84 -9.912 6.346 -1.391 668 HZ1 LYS 84 3HZ LYS 84 -12.373 6.087 -3.033 669 HZ2 LYS 84 1HZ LYS 84 -12.074 7.264 -1.858 670 HZ3 LYS 84 2HZ LYS 84 -12.240 5.643 -1.411 671 H SER 85 H SER 85 -4.933 6.209 -7.103 672 HA SER 85 HA SER 85 -5.364 8.370 -8.984 673 HB2 SER 85 2HB SER 85 -3.516 9.287 -7.587 674 HB3 SER 85 3HB SER 85 -2.541 7.862 -7.936 675 HG SER 85 HG SER 85 -1.949 9.460 -9.364 676 H THR 86 H THR 86 -5.035 7.722 -11.060 677 HA THR 86 HA THR 86 -3.867 5.045 -11.600 678 HB THR 86 HB THR 86 -5.288 5.217 -13.773 679 HG1 THR 86 HG1 THR 86 -5.759 7.566 -13.149 680 HG21 THR 86 3HG2 THR 86 -5.901 3.667 -11.961 681 HG22 THR 86 1HG2 THR 86 -7.340 4.370 -12.699 682 HG23 THR 86 2HG2 THR 86 -6.773 4.959 -11.134 683 H ASP 87 H ASP 87 -1.768 5.774 -11.885 684 HA ASP 87 HA ASP 87 -1.037 7.015 -14.348 685 HB2 ASP 87 2HB ASP 87 -1.644 9.043 -12.899 686 HB3 ASP 87 3HB ASP 87 -0.315 8.606 -11.831 687 HA PRO 88 HA PRO 88 1.883 3.853 -13.043 688 HB2 PRO 88 2HB PRO 88 3.647 4.006 -15.190 689 HB3 PRO 88 3HB PRO 88 2.093 3.152 -15.225 690 HG2 PRO 88 2HG PRO 88 2.742 5.903 -16.226 691 HG3 PRO 88 3HG PRO 88 1.762 4.628 -16.987 692 HD2 PRO 88 2HD PRO 88 0.604 6.699 -15.715 693 HD3 PRO 88 3HD PRO 88 -0.098 5.064 -15.639 694 H GLU 89 H GLU 89 3.109 7.086 -13.998 695 HA GLU 89 HA GLU 89 5.697 6.478 -12.722 696 HB2 GLU 89 2HB GLU 89 6.599 8.444 -13.725 697 HB3 GLU 89 3HB GLU 89 5.700 7.574 -14.959 698 HG2 GLU 89 2HG GLU 89 3.827 9.155 -14.716 699 HG3 GLU 89 3HG GLU 89 4.734 10.032 -13.482 700 H GLU 90 H GLU 90 2.767 8.305 -12.137 701 HA GLU 90 HA GLU 90 3.870 9.953 -10.048 702 HB2 GLU 90 2HB GLU 90 1.810 10.639 -11.272 703 HB3 GLU 90 3HB GLU 90 0.937 9.287 -10.549 704 HG2 GLU 90 2HG GLU 90 1.459 10.239 -8.281 705 HG3 GLU 90 3HG GLU 90 2.165 11.647 -9.074 706 H LEU 91 H LEU 91 1.975 6.927 -10.147 707 HA LEU 91 HA LEU 91 1.774 6.556 -7.341 708 HB2 LEU 91 2HB LEU 91 1.838 4.477 -9.560 709 HB3 LEU 91 3HB LEU 91 1.471 4.106 -7.885 710 HG LEU 91 HG LEU 91 -0.208 5.818 -9.760 711 HD11 LEU 91 1HD1 LEU 91 -0.347 3.403 -10.200 712 HD12 LEU 91 2HD1 LEU 91 -1.868 4.031 -9.573 713 HD13 LEU 91 3HD1 LEU 91 -0.793 3.110 -8.517 714 HD21 LEU 91 3HD2 LEU 91 -0.748 5.139 -6.854 715 HD22 LEU 91 1HD2 LEU 91 -1.857 5.964 -7.953 716 HD23 LEU 91 2HD2 LEU 91 -0.340 6.732 -7.494 717 H THR 92 H THR 92 4.279 5.715 -9.707 718 HA THR 92 HA THR 92 6.076 4.366 -7.986 719 HB THR 92 HB THR 92 6.610 5.926 -10.552 720 HG1 THR 92 HG1 THR 92 5.184 3.958 -10.497 721 HG21 THR 92 3HG2 THR 92 8.698 4.601 -10.739 722 HG22 THR 92 1HG2 THR 92 8.401 3.905 -9.144 723 HG23 THR 92 2HG2 THR 92 8.728 5.632 -9.308 724 H GLN 93 H GLN 93 5.702 7.846 -8.793 725 HA GLN 93 HA GLN 93 8.126 8.633 -7.494 726 HB2 GLN 93 2HB GLN 93 7.674 10.843 -8.112 727 HB3 GLN 93 3HB GLN 93 6.884 9.919 -9.376 728 HG2 GLN 93 2HG GLN 93 4.706 10.266 -8.191 729 HG3 GLN 93 3HG GLN 93 5.538 11.296 -7.037 730 HE21 GLN 93 1HE2 GLN 93 6.115 11.206 -10.543 731 HE22 GLN 93 2HE2 GLN 93 5.537 12.802 -10.849 732 H ARG 94 H ARG 94 4.795 8.280 -6.460 733 HA ARG 94 HA ARG 94 5.050 9.729 -3.986 734 HB2 ARG 94 2HB ARG 94 2.952 7.691 -4.872 735 HB3 ARG 94 3HB ARG 94 2.840 8.668 -3.415 736 HG2 ARG 94 2HG ARG 94 2.828 9.703 -6.264 737 HG3 ARG 94 3HG ARG 94 1.438 9.587 -5.192 738 HD2 ARG 94 2HD ARG 94 2.383 11.274 -3.712 739 HD3 ARG 94 3HD ARG 94 3.873 11.317 -4.659 740 HE ARG 94 HE ARG 94 1.286 12.080 -5.870 741 HH11 ARG 94 1HH1 ARG 94 4.581 12.953 -4.979 742 HH12 ARG 94 2HH1 ARG 94 4.543 14.447 -5.866 743 HH21 ARG 94 1HH2 ARG 94 1.262 14.044 -7.017 744 HH22 ARG 94 2HH2 ARG 94 2.668 15.057 -7.013 745 H VAL 95 H VAL 95 5.217 6.317 -4.956 746 HA VAL 95 HA VAL 95 5.620 5.171 -2.394 747 HB VAL 95 HB VAL 95 6.351 4.195 -5.197 748 HG11 VAL 95 1HG1 VAL 95 6.609 2.596 -2.623 749 HG12 VAL 95 2HG1 VAL 95 7.929 3.105 -3.674 750 HG13 VAL 95 3HG1 VAL 95 6.744 1.935 -4.256 751 HG21 VAL 95 3HG2 VAL 95 4.441 2.662 -4.896 752 HG22 VAL 95 1HG2 VAL 95 3.945 4.347 -4.723 753 HG23 VAL 95 2HG2 VAL 95 4.146 3.337 -3.291 754 H ARG 96 H ARG 96 7.894 6.361 -4.887 755 HA ARG 96 HA ARG 96 10.236 5.393 -3.617 756 HB2 ARG 96 2HB ARG 96 11.500 6.399 -5.345 757 HB3 ARG 96 3HB ARG 96 9.984 5.951 -6.103 758 HG2 ARG 96 2HG ARG 96 9.255 8.360 -5.844 759 HG3 ARG 96 3HG ARG 96 10.896 8.727 -5.323 760 HD2 ARG 96 2HD ARG 96 10.112 7.556 -8.018 761 HD3 ARG 96 3HD ARG 96 10.546 9.236 -7.714 762 HE ARG 96 HE ARG 96 12.699 7.708 -6.864 763 HH11 ARG 96 1HH1 ARG 96 11.042 8.309 -9.922 764 HH12 ARG 96 2HH1 ARG 96 12.464 8.045 -10.880 765 HH21 ARG 96 1HH2 ARG 96 14.562 7.375 -8.148 766 HH22 ARG 96 2HH2 ARG 96 14.454 7.516 -9.876 767 H GLU 97 H GLU 97 8.757 8.669 -3.695 768 HA GLU 97 HA GLU 97 10.704 9.913 -2.058 769 HB2 GLU 97 2HB GLU 97 9.134 11.774 -1.804 770 HB3 GLU 97 3HB GLU 97 9.141 11.215 -3.470 771 HG2 GLU 97 2HG GLU 97 7.022 9.990 -3.047 772 HG3 GLU 97 3HG GLU 97 7.011 10.610 -1.401 773 H PHE 98 H PHE 98 7.570 8.353 -1.234 774 HA PHE 98 HA PHE 98 7.383 8.927 1.456 775 HB2 PHE 98 2HB PHE 98 5.657 7.838 -0.019 776 HB3 PHE 98 3HB PHE 98 6.556 6.333 0.081 777 HD1 PHE 98 HD1 PHE 98 4.792 8.873 2.169 778 HD2 PHE 98 HD2 PHE 98 6.073 4.806 1.848 779 HE1 PHE 98 HE1 PHE 98 3.514 8.306 4.189 780 HE2 PHE 98 HE2 PHE 98 4.792 4.255 3.874 781 HZ PHE 98 HZ PHE 98 3.514 5.997 5.044 782 H LEU 99 H LEU 99 9.049 6.204 -0.083 783 HA LEU 99 HA LEU 99 9.819 4.912 2.355 784 HB2 LEU 99 2HB LEU 99 10.744 4.541 -0.516 785 HB3 LEU 99 3HB LEU 99 11.246 3.499 0.808 786 HG LEU 99 HG LEU 99 8.389 3.841 -0.181 787 HD11 LEU 99 1HD1 LEU 99 10.291 1.502 -0.511 788 HD12 LEU 99 2HD1 LEU 99 9.752 2.606 -1.778 789 HD13 LEU 99 3HD1 LEU 99 8.593 1.535 -0.997 790 HD21 LEU 99 3HD2 LEU 99 8.414 3.419 2.222 791 HD22 LEU 99 1HD2 LEU 99 9.468 2.020 1.994 792 HD23 LEU 99 2HD2 LEU 99 7.821 2.004 1.360 793 H LYS 100 H LYS 100 11.237 7.426 0.409 794 HA LYS 100 HA LYS 100 13.892 7.139 1.582 795 HB2 LYS 100 2HB LYS 100 12.787 9.218 -0.349 796 HB3 LYS 100 3HB LYS 100 14.451 9.187 0.225 797 HG2 LYS 100 2HG LYS 100 14.713 6.909 -0.785 798 HG3 LYS 100 3HG LYS 100 13.091 7.048 -1.447 799 HD2 LYS 100 2HD LYS 100 15.459 8.829 -2.141 800 HD3 LYS 100 3HD LYS 100 14.826 7.525 -3.137 801 HE2 LYS 100 2HE LYS 100 13.975 9.487 -4.117 802 HE3 LYS 100 3HE LYS 100 12.618 8.866 -3.176 803 HZ1 LYS 100 3HZ LYS 100 14.491 10.942 -2.171 804 HZ2 LYS 100 1HZ LYS 100 13.005 10.491 -1.501 805 HZ3 LYS 100 2HZ LYS 100 13.057 11.308 -2.976 806 H THR 101 H THR 101 10.968 9.007 2.209 807 HA THR 101 HA THR 101 12.444 10.956 3.834 808 HB THR 101 HB THR 101 10.742 11.879 2.298 809 HG1 THR 101 HG1 THR 101 9.598 12.439 4.781 810 HG21 THR 101 3HG2 THR 101 8.332 11.661 2.735 811 HG22 THR 101 1HG2 THR 101 8.656 10.486 4.012 812 HG23 THR 101 2HG2 THR 101 9.036 10.093 2.335 813 H ALA 102 H ALA 102 9.673 8.707 4.242 814 HA ALA 102 HA ALA 102 9.690 8.940 7.124 815 HB1 ALA 102 3HB ALA 102 7.589 8.619 5.896 816 HB2 ALA 102 1HB ALA 102 7.858 7.301 7.040 817 HB3 ALA 102 2HB ALA 102 8.149 7.050 5.316 818 H GLY 103 H GLY 103 11.060 6.836 4.696 819 HA2 GLY 103 2HA GLY 103 11.865 4.707 6.486 820 HA3 GLY 103 3HA GLY 103 12.333 4.903 4.807 821 H SER 104 H SER 104 13.104 7.811 5.844 822 HA SER 104 HA SER 104 15.878 7.254 6.430 823 HB2 SER 104 2HB SER 104 15.133 9.256 5.090 824 HB3 SER 104 3HB SER 104 14.396 9.923 6.542 825 HG SER 104 HG SER 104 16.351 10.824 6.566 826 H LEU 105 H LEU 105 15.497 5.927 8.283 827 HA LEU 105 HA LEU 105 14.858 7.364 10.804 828 HB2 LEU 105 2HB LEU 105 14.624 4.390 10.171 829 HB3 LEU 105 3HB LEU 105 14.341 5.096 11.755 830 HG LEU 105 HG LEU 105 12.684 5.624 9.255 831 HD11 LEU 105 1HD1 LEU 105 11.991 4.040 11.748 832 HD12 LEU 105 2HD1 LEU 105 12.301 3.386 10.137 833 HD13 LEU 105 3HD1 LEU 105 10.892 4.407 10.413 834 HD21 LEU 105 3HD2 LEU 105 11.158 6.885 10.746 835 HD22 LEU 105 1HD2 LEU 105 12.753 7.627 10.639 836 HD23 LEU 105 2HD2 LEU 105 12.309 6.698 12.072 837 H GLU 106 H GLU 106 16.633 7.893 11.847 838 HA GLU 106 HA GLU 106 18.700 7.987 12.707 839 HB2 GLU 106 2HB GLU 106 18.766 4.942 12.536 840 HB3 GLU 106 3HB GLU 106 19.669 5.969 13.636 841 HG2 GLU 106 2HG GLU 106 16.739 5.272 13.705 842 HG3 GLU 106 3HG GLU 106 17.952 5.048 14.965 843 H HIS 107 H HIS 107 18.518 8.428 10.028 844 HA HIS 107 HA HIS 107 20.072 6.895 8.280 845 HB2 HIS 107 2HB HIS 107 18.282 8.744 7.789 846 HB3 HIS 107 3HB HIS 107 19.618 9.881 7.921 847 HD1 HIS 107 HD1 HIS 107 17.747 8.305 5.450 848 HD2 HIS 107 HD2 HIS 107 21.844 8.785 5.973 849 HE1 HIS 107 HE1 HIS 107 18.754 7.994 3.179 850 HE2 HIS 107 HE2 HIS 107 21.231 8.176 3.539 851 H HIS 108 H HIS 108 20.995 10.241 9.167 852 HA HIS 108 HA HIS 108 23.606 9.406 10.185 853 HB2 HIS 108 2HB HIS 108 23.336 11.265 7.778 854 HB3 HIS 108 3HB HIS 108 24.791 11.175 8.764 855 HD1 HIS 108 HD1 HIS 108 23.733 10.064 5.653 856 HD2 HIS 108 HD2 HIS 108 25.572 8.130 8.843 857 HE1 HIS 108 HE1 HIS 108 24.806 8.012 4.682 858 HE2 HIS 108 HE2 HIS 108 26.009 6.941 6.598 859 H HIS 109 H HIS 109 23.728 10.425 12.076 860 HA HIS 109 HA HIS 109 23.528 11.888 13.778 861 HB2 HIS 109 2HB HIS 109 23.822 13.935 11.541 862 HB3 HIS 109 3HB HIS 109 23.951 14.317 13.255 863 HD1 HIS 109 HD1 HIS 109 26.077 13.880 10.530 864 HD2 HIS 109 HD2 HIS 109 26.112 12.369 14.406 865 HE1 HIS 109 HE1 HIS 109 28.456 13.189 10.961 866 HE2 HIS 109 HE2 HIS 109 28.477 12.433 13.361 867 H HIS 110 H HIS 110 21.203 10.876 13.528 868 HA HIS 110 HA HIS 110 19.088 12.772 12.998 869 HB2 HIS 110 2HB HIS 110 18.733 10.347 12.610 870 HB3 HIS 110 3HB HIS 110 18.944 10.036 14.331 871 HD1 HIS 110 HD1 HIS 110 16.726 9.645 15.389 872 HD2 HIS 110 HD2 HIS 110 16.495 12.499 12.377 873 HE1 HIS 110 HE1 HIS 110 14.350 10.464 15.414 874 HE2 HIS 110 HE2 HIS 110 14.224 12.152 13.555 875 H HIS 111 H HIS 111 19.638 14.472 14.341 876 HA HIS 111 HA HIS 111 19.853 14.407 17.159 877 HB2 HIS 111 2HB HIS 111 19.299 16.899 17.005 878 HB3 HIS 111 3HB HIS 111 20.657 16.374 16.019 879 HD1 HIS 111 HD1 HIS 111 17.137 17.663 15.748 880 HD2 HIS 111 HD2 HIS 111 20.289 16.639 13.236 881 HE1 HIS 111 HE1 HIS 111 16.507 18.539 13.489 882 HE2 HIS 111 HE2 HIS 111 18.336 17.749 11.957 883 H HIS 112 H HIS 112 18.337 13.877 18.597 884 HA HIS 112 HA HIS 112 15.461 14.213 17.989 885 HB2 HIS 112 2HB HIS 112 16.104 11.907 17.424 886 HB3 HIS 112 3HB HIS 112 16.848 11.687 19.002 887 HD1 HIS 112 HD1 HIS 112 15.126 11.654 21.071 888 HD2 HIS 112 HD2 HIS 112 13.439 11.242 17.295 889 HE1 HIS 112 HE1 HIS 112 12.832 10.717 21.455 890 HE2 HIS 112 HE2 HIS 112 11.899 10.326 19.158 Start of MODEL 10 1 H1 MET 1 1H MET 1 1.010 4.351 13.989 2 H2 MET 1 2H MET 1 1.930 5.760 14.105 3 H3 MET 1 3H MET 1 1.032 5.229 15.432 4 HA MET 1 HA MET 1 3.373 4.777 15.703 5 HB2 MET 1 2HB MET 1 1.672 2.272 15.317 6 HB3 MET 1 3HB MET 1 3.171 2.335 16.238 7 HG2 MET 1 2HG MET 1 2.104 3.969 17.784 8 HG3 MET 1 3HG MET 1 0.596 3.787 16.884 9 HE1 MET 1 3HE MET 1 -0.770 3.118 19.048 10 HE2 MET 1 1HE MET 1 0.685 3.360 20.021 11 HE3 MET 1 2HE MET 1 -0.247 1.874 20.183 12 H GLY 2 H GLY 2 2.208 2.338 13.366 13 HA2 GLY 2 2HA GLY 2 4.638 2.675 11.705 14 HA3 GLY 2 3HA GLY 2 3.510 1.318 11.652 15 H LYS 3 H LYS 3 4.428 3.265 9.496 16 HA LYS 3 HA LYS 3 1.832 4.568 8.851 17 HB2 LYS 3 2HB LYS 3 3.737 6.086 9.611 18 HB3 LYS 3 3HB LYS 3 4.563 5.671 8.113 19 HG2 LYS 3 2HG LYS 3 2.958 6.788 6.778 20 HG3 LYS 3 3HG LYS 3 1.752 6.784 8.070 21 HD2 LYS 3 2HD LYS 3 3.158 8.387 9.351 22 HD3 LYS 3 3HD LYS 3 4.306 8.427 8.010 23 HE2 LYS 3 2HE LYS 3 1.393 9.266 7.832 24 HE3 LYS 3 3HE LYS 3 2.755 10.363 8.025 25 HZ1 LYS 3 3HZ LYS 3 3.645 9.538 5.918 26 HZ2 LYS 3 1HZ LYS 3 2.120 10.241 5.732 27 HZ3 LYS 3 2HZ LYS 3 2.280 8.560 5.726 28 H VAL 4 H VAL 4 0.916 3.554 7.187 29 HA VAL 4 HA VAL 4 2.533 2.250 5.078 30 HB VAL 4 HB VAL 4 -0.465 1.973 5.635 31 HG11 VAL 4 1HG1 VAL 4 0.098 1.483 3.288 32 HG12 VAL 4 2HG1 VAL 4 -0.362 -0.001 4.128 33 HG13 VAL 4 3HG1 VAL 4 1.341 0.342 3.808 34 HG21 VAL 4 3HG2 VAL 4 0.839 1.040 7.513 35 HG22 VAL 4 1HG2 VAL 4 1.765 0.047 6.385 36 HG23 VAL 4 2HG2 VAL 4 0.037 -0.244 6.604 37 H LEU 5 H LEU 5 2.367 2.941 2.940 38 HA LEU 5 HA LEU 5 0.380 4.989 2.208 39 HB2 LEU 5 2HB LEU 5 2.742 5.490 1.641 40 HB3 LEU 5 3HB LEU 5 2.847 3.994 0.729 41 HG LEU 5 HG LEU 5 1.156 4.861 -0.895 42 HD11 LEU 5 1HD1 LEU 5 1.270 7.428 0.713 43 HD12 LEU 5 2HD1 LEU 5 -0.118 6.349 0.537 44 HD13 LEU 5 3HD1 LEU 5 0.491 7.234 -0.861 45 HD21 LEU 5 3HD2 LEU 5 2.592 6.508 -2.001 46 HD22 LEU 5 1HD2 LEU 5 3.531 5.155 -1.373 47 HD23 LEU 5 2HD2 LEU 5 3.534 6.700 -0.520 48 H LEU 6 H LEU 6 -1.466 3.994 1.623 49 HA LEU 6 HA LEU 6 -1.542 1.298 0.511 50 HB2 LEU 6 2HB LEU 6 -3.078 1.990 2.374 51 HB3 LEU 6 3HB LEU 6 -3.788 3.199 1.318 52 HG LEU 6 HG LEU 6 -4.549 1.303 -0.211 53 HD11 LEU 6 1HD1 LEU 6 -3.675 -0.468 2.088 54 HD12 LEU 6 2HD1 LEU 6 -2.971 -0.420 0.470 55 HD13 LEU 6 3HD1 LEU 6 -4.626 -0.981 0.691 56 HD21 LEU 6 3HD2 LEU 6 -5.646 1.277 2.618 57 HD22 LEU 6 1HD2 LEU 6 -6.470 0.655 1.184 58 HD23 LEU 6 2HD2 LEU 6 -6.119 2.377 1.320 59 H VAL 7 H VAL 7 -1.075 1.334 -1.659 60 HA VAL 7 HA VAL 7 -1.916 3.538 -3.377 61 HB VAL 7 HB VAL 7 -0.315 1.036 -4.074 62 HG11 VAL 7 1HG1 VAL 7 0.306 2.242 -6.165 63 HG12 VAL 7 2HG1 VAL 7 -0.775 3.563 -5.718 64 HG13 VAL 7 3HG1 VAL 7 -1.438 1.963 -6.069 65 HG21 VAL 7 3HG2 VAL 7 0.669 3.858 -3.508 66 HG22 VAL 7 1HG2 VAL 7 1.674 2.505 -4.036 67 HG23 VAL 7 2HG2 VAL 7 0.887 2.457 -2.456 68 H ILE 8 H ILE 8 -3.983 3.434 -3.859 69 HA ILE 8 HA ILE 8 -5.265 0.960 -4.817 70 HB ILE 8 HB ILE 8 -6.575 3.600 -4.015 71 HG12 ILE 8 2HG1 ILE 8 -6.283 1.053 -2.365 72 HG13 ILE 8 3HG1 ILE 8 -5.490 2.588 -2.040 73 HG21 ILE 8 1HG2 ILE 8 -8.691 2.329 -3.996 74 HG22 ILE 8 2HG2 ILE 8 -7.832 0.872 -4.502 75 HG23 ILE 8 3HG2 ILE 8 -7.930 2.259 -5.588 76 HD11 ILE 8 3HD1 ILE 8 -7.346 2.246 -0.549 77 HD12 ILE 8 1HD1 ILE 8 -8.453 2.049 -1.907 78 HD13 ILE 8 2HD1 ILE 8 -7.674 3.606 -1.618 79 H SER 9 H SER 9 -5.765 0.834 -6.912 80 HA SER 9 HA SER 9 -6.322 3.205 -8.530 81 HB2 SER 9 2HB SER 9 -4.500 1.018 -9.640 82 HB3 SER 9 3HB SER 9 -4.891 2.572 -10.377 83 HG SER 9 HG SER 9 -3.825 3.397 -8.314 84 H THR 10 H THR 10 -8.038 2.780 -9.918 85 HA THR 10 HA THR 10 -9.525 0.370 -9.719 86 HB THR 10 HB THR 10 -9.712 2.511 -11.889 87 HG1 THR 10 HG1 THR 10 -11.104 2.395 -9.401 88 HG21 THR 10 3HG2 THR 10 -11.057 0.463 -12.371 89 HG22 THR 10 1HG2 THR 10 -12.092 1.855 -12.029 90 HG23 THR 10 2HG2 THR 10 -11.839 0.617 -10.797 91 H ASP 11 H ASP 11 -6.873 1.365 -11.706 92 HA ASP 11 HA ASP 11 -7.213 -0.815 -13.672 93 HB2 ASP 11 2HB ASP 11 -5.353 1.604 -13.695 94 HB3 ASP 11 3HB ASP 11 -5.415 0.370 -14.952 95 H THR 12 H THR 12 -6.411 -2.624 -12.791 96 HA THR 12 HA THR 12 -4.286 -2.866 -10.949 97 HB THR 12 HB THR 12 -5.364 -5.053 -12.786 98 HG1 THR 12 HG1 THR 12 -7.172 -4.668 -11.777 99 HG21 THR 12 3HG2 THR 12 -3.352 -5.723 -11.484 100 HG22 THR 12 1HG2 THR 12 -4.793 -6.573 -10.913 101 HG23 THR 12 2HG2 THR 12 -4.150 -5.209 -9.996 102 H ASN 13 H ASN 13 -4.346 -2.718 -14.453 103 HA ASN 13 HA ASN 13 -1.821 -3.726 -15.156 104 HB2 ASN 13 2HB ASN 13 -3.387 -1.407 -16.395 105 HB3 ASN 13 3HB ASN 13 -1.941 -2.110 -17.118 106 HD21 ASN 13 1HD2 ASN 13 -3.078 -2.680 -18.978 107 HD22 ASN 13 2HD2 ASN 13 -4.217 -3.978 -19.013 108 H ILE 14 H ILE 14 -2.795 -0.572 -13.859 109 HA ILE 14 HA ILE 14 -0.221 0.681 -14.136 110 HB ILE 14 HB ILE 14 -2.587 1.508 -12.393 111 HG12 ILE 14 2HG1 ILE 14 -3.249 1.393 -14.775 112 HG13 ILE 14 3HG1 ILE 14 -3.191 3.066 -14.239 113 HG21 ILE 14 1HG2 ILE 14 -1.578 3.768 -12.418 114 HG22 ILE 14 2HG2 ILE 14 -0.199 3.142 -13.323 115 HG23 ILE 14 3HG2 ILE 14 -0.495 2.585 -11.676 116 HD11 ILE 14 3HD1 ILE 14 -1.129 1.655 -15.933 117 HD12 ILE 14 1HD1 ILE 14 -1.012 3.325 -15.366 118 HD13 ILE 14 2HD1 ILE 14 -2.307 2.853 -16.463 119 H ILE 15 H ILE 15 -2.068 -0.785 -11.461 120 HA ILE 15 HA ILE 15 -0.341 -0.391 -9.301 121 HB ILE 15 HB ILE 15 -2.261 -2.698 -9.866 122 HG12 ILE 15 2HG1 ILE 15 -2.568 -0.169 -8.187 123 HG13 ILE 15 3HG1 ILE 15 -3.349 -0.502 -9.727 124 HG21 ILE 15 1HG2 ILE 15 -0.615 -3.470 -8.196 125 HG22 ILE 15 2HG2 ILE 15 -2.206 -3.268 -7.464 126 HG23 ILE 15 3HG2 ILE 15 -0.951 -2.056 -7.196 127 HD11 ILE 15 3HD1 ILE 15 -4.909 -0.760 -7.929 128 HD12 ILE 15 1HD1 ILE 15 -3.855 -1.918 -7.116 129 HD13 ILE 15 2HD1 ILE 15 -4.602 -2.335 -8.661 130 H SER 16 H SER 16 -0.364 -2.923 -11.764 131 HA SER 16 HA SER 16 1.646 -4.610 -10.771 132 HB2 SER 16 2HB SER 16 0.080 -5.258 -12.576 133 HB3 SER 16 3HB SER 16 0.846 -4.104 -13.666 134 HG SER 16 HG SER 16 2.721 -5.320 -13.613 135 H SER 17 H SER 17 1.789 -1.951 -13.157 136 HA SER 17 HA SER 17 4.506 -2.179 -13.858 137 HB2 SER 17 2HB SER 17 2.688 0.270 -13.942 138 HB3 SER 17 3HB SER 17 4.219 0.105 -14.812 139 HG SER 17 HG SER 17 2.516 -1.986 -15.241 140 H VAL 18 H VAL 18 2.892 -0.154 -11.466 141 HA VAL 18 HA VAL 18 5.123 1.355 -10.579 142 HB VAL 18 HB VAL 18 2.459 0.767 -9.206 143 HG11 VAL 18 1HG1 VAL 18 4.492 2.936 -8.569 144 HG12 VAL 18 2HG1 VAL 18 4.107 1.548 -7.552 145 HG13 VAL 18 3HG1 VAL 18 2.891 2.792 -7.841 146 HG21 VAL 18 3HG2 VAL 18 3.303 3.158 -10.891 147 HG22 VAL 18 1HG2 VAL 18 1.730 2.940 -10.116 148 HG23 VAL 18 2HG2 VAL 18 2.229 1.862 -11.421 149 H GLN 19 H GLN 19 3.587 -1.640 -9.446 150 HA GLN 19 HA GLN 19 5.023 -2.018 -7.043 151 HB2 GLN 19 2HB GLN 19 2.944 -3.249 -7.603 152 HB3 GLN 19 3HB GLN 19 3.785 -4.092 -8.900 153 HG2 GLN 19 2HG GLN 19 5.334 -5.053 -7.125 154 HG3 GLN 19 3HG GLN 19 4.251 -4.365 -5.918 155 HE21 GLN 19 1HE2 GLN 19 1.821 -4.956 -7.505 156 HE22 GLN 19 2HE2 GLN 19 1.608 -6.661 -7.377 157 H GLU 20 H GLU 20 5.568 -3.198 -10.354 158 HA GLU 20 HA GLU 20 7.805 -4.846 -9.867 159 HB2 GLU 20 2HB GLU 20 6.884 -3.464 -12.423 160 HB3 GLU 20 3HB GLU 20 8.131 -4.712 -12.368 161 HG2 GLU 20 2HG GLU 20 6.521 -6.355 -11.560 162 HG3 GLU 20 3HG GLU 20 5.269 -5.123 -11.443 163 H ARG 21 H ARG 21 7.533 -1.422 -10.768 164 HA ARG 21 HA ARG 21 10.343 -0.956 -11.098 165 HB2 ARG 21 2HB ARG 21 8.032 0.988 -10.677 166 HB3 ARG 21 3HB ARG 21 9.689 1.489 -11.032 167 HG2 ARG 21 2HG ARG 21 9.596 0.192 -13.152 168 HG3 ARG 21 3HG ARG 21 7.912 -0.206 -12.813 169 HD2 ARG 21 2HD ARG 21 7.331 2.190 -12.933 170 HD3 ARG 21 3HD ARG 21 9.025 2.593 -13.254 171 HE ARG 21 HE ARG 21 7.161 1.192 -15.053 172 HH11 ARG 21 1HH1 ARG 21 10.340 2.657 -14.625 173 HH12 ARG 21 2HH1 ARG 21 10.702 2.626 -16.320 174 HH21 ARG 21 1HH2 ARG 21 7.691 1.084 -17.238 175 HH22 ARG 21 2HH2 ARG 21 9.201 1.733 -17.801 176 H ALA 22 H ALA 22 8.060 -0.459 -8.426 177 HA ALA 22 HA ALA 22 9.826 0.868 -6.651 178 HB1 ALA 22 3HB ALA 22 7.309 -0.717 -6.040 179 HB2 ALA 22 1HB ALA 22 7.379 0.999 -6.451 180 HB3 ALA 22 2HB ALA 22 8.104 0.422 -4.948 181 H LYS 23 H LYS 23 9.031 -2.570 -7.109 182 HA LYS 23 HA LYS 23 10.688 -3.592 -5.029 183 HB2 LYS 23 2HB LYS 23 9.613 -4.927 -7.539 184 HB3 LYS 23 3HB LYS 23 10.507 -5.779 -6.279 185 HG2 LYS 23 2HG LYS 23 8.721 -5.096 -4.646 186 HG3 LYS 23 3HG LYS 23 7.804 -4.433 -6.001 187 HD2 LYS 23 2HD LYS 23 6.986 -6.682 -5.462 188 HD3 LYS 23 3HD LYS 23 7.750 -6.683 -7.055 189 HE2 LYS 23 2HE LYS 23 9.810 -7.637 -6.059 190 HE3 LYS 23 3HE LYS 23 9.042 -7.636 -4.472 191 HZ1 LYS 23 3HZ LYS 23 8.976 -9.800 -5.515 192 HZ2 LYS 23 1HZ LYS 23 8.115 -9.176 -6.829 193 HZ3 LYS 23 2HZ LYS 23 7.418 -9.194 -5.290 194 H HIS 24 H HIS 24 11.251 -2.810 -8.458 195 HA HIS 24 HA HIS 24 13.848 -3.951 -8.638 196 HB2 HIS 24 2HB HIS 24 12.334 -3.257 -10.581 197 HB3 HIS 24 3HB HIS 24 12.804 -1.594 -10.261 198 HD1 HIS 24 HD1 HIS 24 13.589 -1.931 -12.871 199 HD2 HIS 24 HD2 HIS 24 15.873 -3.834 -9.974 200 HE1 HIS 24 HE1 HIS 24 15.788 -2.446 -13.956 201 HE2 HIS 24 HE2 HIS 24 17.063 -3.755 -12.245 202 H ASN 25 H ASN 25 12.647 -1.010 -7.234 203 HA ASN 25 HA ASN 25 15.249 0.270 -6.927 204 HB2 ASN 25 2HB ASN 25 12.454 0.944 -5.912 205 HB3 ASN 25 3HB ASN 25 13.872 1.876 -5.459 206 HD21 ASN 25 1HD2 ASN 25 13.338 0.564 -8.732 207 HD22 ASN 25 2HD2 ASN 25 13.109 2.108 -9.465 208 H TYR 26 H TYR 26 12.778 -1.065 -4.689 209 HA TYR 26 HA TYR 26 14.750 -1.082 -2.484 210 HB2 TYR 26 2HB TYR 26 11.697 -1.059 -2.349 211 HB3 TYR 26 3HB TYR 26 12.794 -0.936 -0.975 212 HD1 TYR 26 HD1 TYR 26 14.341 1.101 -0.824 213 HD2 TYR 26 HD2 TYR 26 11.040 0.902 -3.544 214 HE1 TYR 26 HE1 TYR 26 14.414 3.539 -1.107 215 HE2 TYR 26 HE2 TYR 26 11.122 3.328 -3.817 216 HH TYR 26 HH TYR 26 11.977 5.295 -2.446 217 HA PRO 27 HA PRO 27 14.256 -5.592 -1.792 218 HB2 PRO 27 2HB PRO 27 13.792 -5.533 1.001 219 HB3 PRO 27 3HB PRO 27 15.395 -5.576 0.238 220 HG2 PRO 27 2HG PRO 27 13.858 -3.206 1.260 221 HG3 PRO 27 3HG PRO 27 15.591 -3.578 1.420 222 HD2 PRO 27 2HD PRO 27 14.791 -1.788 -0.383 223 HD3 PRO 27 3HD PRO 27 16.069 -2.955 -0.807 224 H GLY 28 H GLY 28 12.543 -7.065 -1.504 225 HA2 GLY 28 2HA GLY 28 9.956 -5.976 -2.127 226 HA3 GLY 28 3HA GLY 28 10.399 -7.672 -2.057 227 H ARG 29 H ARG 29 11.203 -6.076 0.847 228 HA ARG 29 HA ARG 29 8.889 -7.122 2.274 229 HB2 ARG 29 2HB ARG 29 11.347 -5.650 3.311 230 HB3 ARG 29 3HB ARG 29 10.094 -6.391 4.309 231 HG2 ARG 29 2HG ARG 29 10.697 -8.611 3.179 232 HG3 ARG 29 3HG ARG 29 12.122 -7.786 2.535 233 HD2 ARG 29 2HD ARG 29 12.691 -8.995 4.592 234 HD3 ARG 29 3HD ARG 29 12.836 -7.253 4.848 235 HE ARG 29 HE ARG 29 10.251 -8.296 5.590 236 HH11 ARG 29 1HH1 ARG 29 13.533 -7.827 6.817 237 HH12 ARG 29 2HH1 ARG 29 13.026 -7.860 8.478 238 HH21 ARG 29 1HH2 ARG 29 9.645 -8.347 7.751 239 HH22 ARG 29 2HH2 ARG 29 10.831 -8.154 9.002 240 H TYR 30 H TYR 30 10.246 -4.009 1.289 241 HA TYR 30 HA TYR 30 8.432 -2.400 2.860 242 HB2 TYR 30 2HB TYR 30 10.459 -1.714 0.704 243 HB3 TYR 30 3HB TYR 30 9.426 -0.492 1.448 244 HD1 TYR 30 HD2 TYR 30 12.177 -2.911 2.105 245 HD2 TYR 30 HD1 TYR 30 9.812 0.269 3.732 246 HE1 TYR 30 HE2 TYR 30 13.711 -2.750 4.013 247 HE2 TYR 30 HE1 TYR 30 11.348 0.419 5.649 248 HH TYR 30 HH TYR 30 14.387 -1.217 5.719 249 H ILE 31 H ILE 31 8.490 -3.703 -0.361 250 HA ILE 31 HA ILE 31 5.905 -2.445 -1.006 251 HB ILE 31 HB ILE 31 7.866 -4.044 -2.712 252 HG12 ILE 31 2HG1 ILE 31 7.797 -1.954 -4.168 253 HG13 ILE 31 3HG1 ILE 31 6.826 -1.179 -2.927 254 HG21 ILE 31 1HG2 ILE 31 5.061 -3.175 -3.494 255 HG22 ILE 31 2HG2 ILE 31 5.643 -4.832 -3.344 256 HG23 ILE 31 3HG2 ILE 31 6.269 -3.791 -4.622 257 HD11 ILE 31 3HD1 ILE 31 8.696 -1.321 -1.372 258 HD12 ILE 31 1HD1 ILE 31 9.153 -0.483 -2.855 259 HD13 ILE 31 2HD1 ILE 31 9.661 -2.153 -2.596 260 H ARG 32 H ARG 32 4.151 -3.537 -0.514 261 HA ARG 32 HA ARG 32 4.075 -6.479 -0.353 262 HB2 ARG 32 2HB ARG 32 4.315 -5.513 1.924 263 HB3 ARG 32 3HB ARG 32 2.958 -4.436 1.636 264 HG2 ARG 32 2HG ARG 32 2.277 -6.257 3.078 265 HG3 ARG 32 3HG ARG 32 1.445 -6.396 1.531 266 HD2 ARG 32 2HD ARG 32 2.812 -8.255 0.865 267 HD3 ARG 32 3HD ARG 32 3.948 -7.980 2.192 268 HE ARG 32 HE ARG 32 2.264 -8.729 3.744 269 HH11 ARG 32 1HH1 ARG 32 1.521 -9.496 0.382 270 HH12 ARG 32 2HH1 ARG 32 0.414 -10.762 0.807 271 HH21 ARG 32 1HH2 ARG 32 0.809 -10.370 4.260 272 HH22 ARG 32 2HH2 ARG 32 0.013 -11.254 2.991 273 H THR 33 H THR 33 2.036 -7.312 -0.965 274 HA THR 33 HA THR 33 0.024 -5.387 -1.997 275 HB THR 33 HB THR 33 -0.680 -7.321 -3.529 276 HG1 THR 33 HG1 THR 33 0.452 -9.122 -3.522 277 HG21 THR 33 3HG2 THR 33 1.146 -6.974 -5.179 278 HG22 THR 33 1HG2 THR 33 2.125 -6.211 -3.928 279 HG23 THR 33 2HG2 THR 33 0.620 -5.454 -4.457 280 H ALA 34 H ALA 34 -2.102 -5.784 -1.547 281 HA ALA 34 HA ALA 34 -2.799 -7.930 0.374 282 HB1 ALA 34 3HB ALA 34 -3.108 -5.675 1.319 283 HB2 ALA 34 1HB ALA 34 -4.675 -6.446 1.060 284 HB3 ALA 34 2HB ALA 34 -4.102 -5.207 -0.061 285 H THR 35 H THR 35 -3.882 -9.542 -0.645 286 HA THR 35 HA THR 35 -5.681 -8.881 -2.901 287 HB THR 35 HB THR 35 -3.769 -10.494 -3.390 288 HG1 THR 35 HG1 THR 35 -5.347 -10.580 -4.846 289 HG21 THR 35 3HG2 THR 35 -5.423 -12.430 -1.719 290 HG22 THR 35 1HG2 THR 35 -3.808 -11.844 -1.314 291 HG23 THR 35 2HG2 THR 35 -4.046 -12.863 -2.735 292 H SER 36 H SER 36 -5.597 -9.863 0.352 293 HA SER 36 HA SER 36 -8.491 -10.126 0.426 294 HB2 SER 36 2HB SER 36 -8.431 -12.262 1.697 295 HB3 SER 36 3HB SER 36 -7.723 -12.477 0.095 296 HG SER 36 HG SER 36 -5.728 -12.569 0.976 297 H SER 37 H SER 37 -9.271 -10.192 2.666 298 HA SER 37 HA SER 37 -8.180 -8.275 4.403 299 HB2 SER 37 2HB SER 37 -9.868 -9.144 6.038 300 HB3 SER 37 3HB SER 37 -10.564 -8.881 4.437 301 HG SER 37 HG SER 37 -11.246 -10.866 5.051 302 H GLN 38 H GLN 38 -7.566 -11.692 4.038 303 HA GLN 38 HA GLN 38 -6.397 -12.306 6.536 304 HB2 GLN 38 2HB GLN 38 -5.650 -13.548 3.855 305 HB3 GLN 38 3HB GLN 38 -5.478 -14.281 5.449 306 HG2 GLN 38 2HG GLN 38 -8.068 -13.694 3.981 307 HG3 GLN 38 3HG GLN 38 -7.356 -15.277 4.282 308 HE21 GLN 38 1HE2 GLN 38 -9.153 -12.621 5.668 309 HE22 GLN 38 2HE2 GLN 38 -9.592 -13.433 7.127 310 H ASP 39 H ASP 39 -4.863 -11.460 3.392 311 HA ASP 39 HA ASP 39 -2.208 -11.129 4.204 312 HB2 ASP 39 2HB ASP 39 -3.749 -9.659 2.013 313 HB3 ASP 39 3HB ASP 39 -2.007 -9.497 2.236 314 H ILE 40 H ILE 40 -4.866 -8.799 4.132 315 HA ILE 40 HA ILE 40 -3.570 -6.448 4.821 316 HB ILE 40 HB ILE 40 -6.400 -7.447 5.149 317 HG12 ILE 40 2HG1 ILE 40 -5.192 -5.239 3.430 318 HG13 ILE 40 3HG1 ILE 40 -5.493 -6.886 2.891 319 HG21 ILE 40 1HG2 ILE 40 -7.192 -5.209 5.830 320 HG22 ILE 40 2HG2 ILE 40 -5.520 -4.676 6.009 321 HG23 ILE 40 3HG2 ILE 40 -6.157 -5.942 7.058 322 HD11 ILE 40 3HD1 ILE 40 -7.174 -5.403 2.065 323 HD12 ILE 40 1HD1 ILE 40 -7.561 -4.860 3.697 324 HD13 ILE 40 2HD1 ILE 40 -7.891 -6.528 3.217 325 H ARG 41 H ARG 41 -5.261 -8.655 7.092 326 HA ARG 41 HA ARG 41 -4.597 -7.255 9.455 327 HB2 ARG 41 2HB ARG 41 -5.307 -10.193 9.061 328 HB3 ARG 41 3HB ARG 41 -5.284 -9.366 10.626 329 HG2 ARG 41 2HG ARG 41 -7.102 -7.938 10.001 330 HG3 ARG 41 3HG ARG 41 -6.998 -8.430 8.312 331 HD2 ARG 41 2HD ARG 41 -7.655 -10.758 9.043 332 HD3 ARG 41 3HD ARG 41 -7.985 -10.084 10.650 333 HE ARG 41 HE ARG 41 -9.447 -8.448 9.221 334 HH11 ARG 41 1HH1 ARG 41 -9.187 -11.910 8.757 335 HH12 ARG 41 2HH1 ARG 41 -10.781 -12.051 8.088 336 HH21 ARG 41 1HH2 ARG 41 -11.479 -8.633 8.312 337 HH22 ARG 41 2HH2 ARG 41 -12.083 -10.183 7.833 338 H ASP 42 H ASP 42 -2.968 -9.878 7.734 339 HA ASP 42 HA ASP 42 -0.845 -10.433 9.486 340 HB2 ASP 42 2HB ASP 42 -1.293 -11.898 7.618 341 HB3 ASP 42 3HB ASP 42 -1.130 -10.586 6.462 342 H ILE 43 H ILE 43 -1.219 -7.906 6.991 343 HA ILE 43 HA ILE 43 1.403 -6.798 7.074 344 HB ILE 43 HB ILE 43 -1.275 -5.593 6.241 345 HG12 ILE 43 2HG1 ILE 43 0.975 -6.549 4.429 346 HG13 ILE 43 3HG1 ILE 43 -0.351 -7.589 4.919 347 HG21 ILE 43 1HG2 ILE 43 -0.025 -3.815 5.072 348 HG22 ILE 43 2HG2 ILE 43 1.479 -4.436 5.748 349 HG23 ILE 43 3HG2 ILE 43 0.251 -3.761 6.818 350 HD11 ILE 43 3HD1 ILE 43 -1.934 -6.039 3.833 351 HD12 ILE 43 1HD1 ILE 43 -0.750 -6.720 2.718 352 HD13 ILE 43 2HD1 ILE 43 -0.567 -5.063 3.289 353 H ILE 44 H ILE 44 -1.656 -5.881 8.621 354 HA ILE 44 HA ILE 44 -0.805 -3.507 9.878 355 HB ILE 44 HB ILE 44 -3.183 -5.338 10.419 356 HG12 ILE 44 2HG1 ILE 44 -2.993 -2.711 8.864 357 HG13 ILE 44 3HG1 ILE 44 -3.084 -4.310 8.141 358 HG21 ILE 44 1HG2 ILE 44 -2.758 -4.002 12.447 359 HG22 ILE 44 2HG2 ILE 44 -4.243 -3.479 11.653 360 HG23 ILE 44 3HG2 ILE 44 -2.772 -2.522 11.485 361 HD11 ILE 44 3HD1 ILE 44 -5.330 -4.589 9.098 362 HD12 ILE 44 1HD1 ILE 44 -5.206 -3.207 8.011 363 HD13 ILE 44 2HD1 ILE 44 -5.234 -2.952 9.755 364 H LYS 45 H LYS 45 -1.062 -6.858 11.066 365 HA LYS 45 HA LYS 45 -0.312 -6.453 13.749 366 HB2 LYS 45 2HB LYS 45 -0.006 -8.876 11.932 367 HB3 LYS 45 3HB LYS 45 0.392 -8.913 13.649 368 HG2 LYS 45 2HG LYS 45 -1.901 -8.413 14.252 369 HG3 LYS 45 3HG LYS 45 -2.342 -8.197 12.556 370 HD2 LYS 45 2HD LYS 45 -1.850 -10.595 12.131 371 HD3 LYS 45 3HD LYS 45 -1.421 -10.806 13.832 372 HE2 LYS 45 2HE LYS 45 -3.732 -10.189 14.471 373 HE3 LYS 45 3HE LYS 45 -4.147 -10.009 12.766 374 HZ1 LYS 45 3HZ LYS 45 -3.721 -12.329 12.431 375 HZ2 LYS 45 1HZ LYS 45 -4.830 -12.140 13.689 376 HZ3 LYS 45 2HZ LYS 45 -3.222 -12.522 14.032 377 H SER 46 H SER 46 1.639 -6.936 10.807 378 HA SER 46 HA SER 46 4.161 -7.078 12.159 379 HB2 SER 46 2HB SER 46 3.775 -8.152 9.962 380 HB3 SER 46 3HB SER 46 3.516 -6.572 9.223 381 HG SER 46 HG SER 46 5.900 -7.007 10.634 382 H MET 47 H MET 47 2.172 -4.490 10.849 383 HA MET 47 HA MET 47 4.148 -2.423 10.915 384 HB2 MET 47 2HB MET 47 1.104 -2.242 11.026 385 HB3 MET 47 3HB MET 47 2.174 -0.851 10.851 386 HG2 MET 47 2HG MET 47 1.861 -3.133 8.890 387 HG3 MET 47 3HG MET 47 1.263 -1.487 8.689 388 HE1 MET 47 3HE MET 47 4.595 0.537 8.241 389 HE2 MET 47 1HE MET 47 3.764 0.266 9.773 390 HE3 MET 47 2HE MET 47 2.834 0.615 8.316 391 H LYS 48 H LYS 48 2.154 -3.937 13.335 392 HA LYS 48 HA LYS 48 2.438 -1.879 15.345 393 HB2 LYS 48 2HB LYS 48 1.646 -4.793 15.708 394 HB3 LYS 48 3HB LYS 48 1.414 -3.488 16.871 395 HG2 LYS 48 2HG LYS 48 -0.156 -2.396 15.245 396 HG3 LYS 48 3HG LYS 48 0.026 -3.801 14.193 397 HD2 LYS 48 2HD LYS 48 -2.021 -4.062 15.478 398 HD3 LYS 48 3HD LYS 48 -0.842 -5.249 16.044 399 HE2 LYS 48 2HE LYS 48 -0.276 -3.650 17.930 400 HE3 LYS 48 3HE LYS 48 -1.627 -2.645 17.398 401 HZ1 LYS 48 3HZ LYS 48 -3.112 -4.470 17.821 402 HZ2 LYS 48 1HZ LYS 48 -2.227 -4.120 19.212 403 HZ3 LYS 48 2HZ LYS 48 -1.834 -5.469 18.275 404 H ASP 49 H ASP 49 4.089 -4.800 14.369 405 HA ASP 49 HA ASP 49 5.784 -5.033 16.702 406 HB2 ASP 49 2HB ASP 49 4.993 -7.050 15.515 407 HB3 ASP 49 3HB ASP 49 5.770 -6.514 14.029 408 H ASN 50 H ASN 50 6.138 -3.963 13.347 409 HA ASN 50 HA ASN 50 9.041 -3.556 13.630 410 HB2 ASN 50 2HB ASN 50 7.246 -3.619 11.166 411 HB3 ASN 50 3HB ASN 50 8.976 -3.285 11.104 412 HD21 ASN 50 1HD2 ASN 50 7.403 -5.475 9.920 413 HD22 ASN 50 2HD2 ASN 50 8.138 -6.935 10.488 414 H GLY 51 H GLY 51 6.048 -1.733 13.282 415 HA2 GLY 51 2HA GLY 51 5.589 0.489 12.916 416 HA3 GLY 51 3HA GLY 51 7.249 0.855 13.384 417 H LYS 52 H LYS 52 8.173 2.021 11.773 418 HA LYS 52 HA LYS 52 9.278 2.454 9.858 419 HB2 LYS 52 2HB LYS 52 8.459 -0.367 9.037 420 HB3 LYS 52 3HB LYS 52 9.627 0.615 8.163 421 HG2 LYS 52 2HG LYS 52 9.921 -0.403 11.004 422 HG3 LYS 52 3HG LYS 52 10.724 -1.064 9.576 423 HD2 LYS 52 2HD LYS 52 11.965 1.048 9.271 424 HD3 LYS 52 3HD LYS 52 11.124 1.764 10.652 425 HE2 LYS 52 2HE LYS 52 12.140 0.094 12.143 426 HE3 LYS 52 3HE LYS 52 12.955 -0.654 10.769 427 HZ1 LYS 52 3HZ LYS 52 14.253 1.304 10.455 428 HZ2 LYS 52 1HZ LYS 52 14.365 0.852 12.077 429 HZ3 LYS 52 2HZ LYS 52 13.382 2.150 11.629 430 HA PRO 53 HA PRO 53 6.221 3.544 6.607 431 HB2 PRO 53 2HB PRO 53 7.808 4.158 4.497 432 HB3 PRO 53 3HB PRO 53 7.760 5.207 5.936 433 HG2 PRO 53 2HG PRO 53 9.792 3.105 5.215 434 HG3 PRO 53 3HG PRO 53 10.052 4.763 5.807 435 HD2 PRO 53 2HD PRO 53 10.135 2.586 7.464 436 HD3 PRO 53 3HD PRO 53 9.622 4.194 8.020 437 H LEU 54 H LEU 54 5.020 2.119 5.493 438 HA LEU 54 HA LEU 54 6.322 -0.013 3.894 439 HB2 LEU 54 2HB LEU 54 5.047 -0.682 6.098 440 HB3 LEU 54 3HB LEU 54 3.589 -0.339 5.183 441 HG LEU 54 HG LEU 54 4.307 -2.064 3.481 442 HD11 LEU 54 1HD1 LEU 54 6.528 -2.650 5.458 443 HD12 LEU 54 2HD1 LEU 54 6.713 -1.968 3.839 444 HD13 LEU 54 3HD1 LEU 54 6.122 -3.616 4.035 445 HD21 LEU 54 3HD2 LEU 54 2.732 -2.677 5.269 446 HD22 LEU 54 1HD2 LEU 54 4.084 -3.143 6.307 447 HD23 LEU 54 2HD2 LEU 54 3.762 -4.032 4.814 448 H VAL 55 H VAL 55 4.698 -0.843 2.199 449 HA VAL 55 HA VAL 55 2.934 1.224 1.104 450 HB VAL 55 HB VAL 55 5.128 -0.054 -0.607 451 HG11 VAL 55 1HG1 VAL 55 3.018 0.285 -1.836 452 HG12 VAL 55 2HG1 VAL 55 4.263 1.384 -2.426 453 HG13 VAL 55 3HG1 VAL 55 2.997 1.984 -1.353 454 HG21 VAL 55 3HG2 VAL 55 4.877 2.867 0.221 455 HG22 VAL 55 1HG2 VAL 55 6.104 2.192 -0.858 456 HG23 VAL 55 2HG2 VAL 55 6.074 1.727 0.842 457 H VAL 56 H VAL 56 1.078 0.162 0.720 458 HA VAL 56 HA VAL 56 1.146 -2.717 0.016 459 HB VAL 56 HB VAL 56 -0.932 -1.270 1.716 460 HG11 VAL 56 1HG1 VAL 56 -0.896 -4.171 0.786 461 HG12 VAL 56 2HG1 VAL 56 -2.056 -2.935 0.293 462 HG13 VAL 56 3HG1 VAL 56 -2.027 -3.498 1.965 463 HG21 VAL 56 3HG2 VAL 56 -0.184 -2.795 3.527 464 HG22 VAL 56 1HG2 VAL 56 1.147 -1.786 2.949 465 HG23 VAL 56 2HG2 VAL 56 1.037 -3.475 2.449 466 H PHE 57 H PHE 57 0.584 -3.001 -1.986 467 HA PHE 57 HA PHE 57 -1.100 -1.173 -3.512 468 HB2 PHE 57 2HB PHE 57 0.421 -3.701 -4.279 469 HB3 PHE 57 3HB PHE 57 -0.520 -2.746 -5.411 470 HD1 PHE 57 HD2 PHE 57 2.548 -2.760 -3.297 471 HD2 PHE 57 HD1 PHE 57 0.347 -0.696 -6.335 472 HE1 PHE 57 HE2 PHE 57 4.500 -1.333 -3.758 473 HE2 PHE 57 HE1 PHE 57 2.302 0.709 -6.778 474 HZ PHE 57 HZ PHE 57 4.379 0.400 -5.497 475 H VAL 58 H VAL 58 -3.244 -1.545 -3.750 476 HA VAL 58 HA VAL 58 -4.522 -3.908 -2.668 477 HB VAL 58 HB VAL 58 -5.698 -1.519 -4.171 478 HG11 VAL 58 1HG1 VAL 58 -7.905 -2.247 -3.328 479 HG12 VAL 58 2HG1 VAL 58 -7.169 -3.682 -2.613 480 HG13 VAL 58 3HG1 VAL 58 -7.188 -3.482 -4.366 481 HG21 VAL 58 3HG2 VAL 58 -5.596 -2.114 -1.185 482 HG22 VAL 58 1HG2 VAL 58 -6.435 -0.746 -1.925 483 HG23 VAL 58 2HG2 VAL 58 -4.677 -0.867 -2.031 484 H ASN 59 H ASN 59 -3.560 -5.522 -3.974 485 HA ASN 59 HA ASN 59 -4.381 -5.660 -6.809 486 HB2 ASN 59 2HB ASN 59 -1.922 -5.646 -6.372 487 HB3 ASN 59 3HB ASN 59 -2.097 -7.063 -5.340 488 HD21 ASN 59 1HD2 ASN 59 -0.874 -8.479 -6.534 489 HD22 ASN 59 2HD2 ASN 59 -1.258 -8.969 -8.146 490 H GLY 60 H GLY 60 -6.422 -6.569 -6.506 491 HA2 GLY 60 2HA GLY 60 -7.590 -8.633 -6.780 492 HA3 GLY 60 3HA GLY 60 -6.478 -9.413 -5.661 493 H ALA 61 H ALA 61 -6.730 -6.998 -3.820 494 HA ALA 61 HA ALA 61 -8.891 -7.927 -2.197 495 HB1 ALA 61 3HB ALA 61 -7.229 -5.389 -1.961 496 HB2 ALA 61 1HB ALA 61 -6.875 -6.936 -1.189 497 HB3 ALA 61 2HB ALA 61 -8.307 -6.020 -0.713 498 H SER 62 H SER 62 -10.963 -7.263 -2.168 499 HA SER 62 HA SER 62 -12.001 -5.407 -4.150 500 HB2 SER 62 2HB SER 62 -13.463 -6.932 -1.934 501 HB3 SER 62 3HB SER 62 -14.200 -6.185 -3.360 502 HG SER 62 HG SER 62 -12.168 -7.947 -3.937 503 H GLN 63 H GLN 63 -13.675 -3.727 -3.394 504 HA GLN 63 HA GLN 63 -12.584 -1.786 -1.700 505 HB2 GLN 63 2HB GLN 63 -14.251 -1.244 -3.433 506 HB3 GLN 63 3HB GLN 63 -15.483 -2.159 -2.573 507 HG2 GLN 63 2HG GLN 63 -15.823 0.238 -2.248 508 HG3 GLN 63 3HG GLN 63 -15.411 -0.529 -0.717 509 HE21 GLN 63 1HE2 GLN 63 -13.423 0.008 0.280 510 HE22 GLN 63 2HE2 GLN 63 -12.463 1.347 -0.240 511 H ASN 64 H ASN 64 -14.794 -4.431 -1.023 512 HA ASN 64 HA ASN 64 -15.608 -4.084 1.582 513 HB2 ASN 64 2HB ASN 64 -14.540 -6.657 0.317 514 HB3 ASN 64 3HB ASN 64 -15.507 -6.582 1.790 515 HD21 ASN 64 1HD2 ASN 64 -17.125 -7.857 0.960 516 HD22 ASN 64 2HD2 ASN 64 -18.209 -7.326 -0.275 517 H ASP 65 H ASP 65 -12.558 -5.422 0.414 518 HA ASP 65 HA ASP 65 -11.438 -5.985 3.009 519 HB2 ASP 65 2HB ASP 65 -10.044 -5.946 0.292 520 HB3 ASP 65 3HB ASP 65 -9.408 -6.653 1.778 521 H VAL 66 H VAL 66 -11.165 -3.410 0.617 522 HA VAL 66 HA VAL 66 -8.894 -2.043 1.616 523 HB VAL 66 HB VAL 66 -11.302 -0.962 0.072 524 HG11 VAL 66 1HG1 VAL 66 -10.168 0.913 1.188 525 HG12 VAL 66 2HG1 VAL 66 -9.860 0.974 -0.548 526 HG13 VAL 66 3HG1 VAL 66 -8.609 0.382 0.551 527 HG21 VAL 66 3HG2 VAL 66 -10.051 -2.715 -1.145 528 HG22 VAL 66 1HG2 VAL 66 -8.550 -1.815 -0.922 529 HG23 VAL 66 2HG2 VAL 66 -9.843 -1.146 -1.924 530 H ASN 67 H ASN 67 -12.357 -1.779 2.331 531 HA ASN 67 HA ASN 67 -12.168 0.344 4.223 532 HB2 ASN 67 2HB ASN 67 -14.354 -1.722 3.745 533 HB3 ASN 67 3HB ASN 67 -14.518 -0.354 4.846 534 HD21 ASN 67 1HD2 ASN 67 -15.988 -1.043 2.379 535 HD22 ASN 67 2HD2 ASN 67 -15.870 0.351 1.367 536 H GLU 68 H GLU 68 -12.039 -3.194 4.467 537 HA GLU 68 HA GLU 68 -12.035 -3.432 7.295 538 HB2 GLU 68 2HB GLU 68 -10.819 -5.271 5.182 539 HB3 GLU 68 3HB GLU 68 -10.985 -5.689 6.891 540 HG2 GLU 68 2HG GLU 68 -13.426 -5.499 6.710 541 HG3 GLU 68 3HG GLU 68 -13.270 -5.035 5.019 542 H PHE 69 H PHE 69 -9.476 -2.878 4.923 543 HA PHE 69 HA PHE 69 -7.214 -3.081 6.575 544 HB2 PHE 69 2HB PHE 69 -7.069 -2.994 4.096 545 HB3 PHE 69 3HB PHE 69 -7.630 -1.329 4.109 546 HD1 PHE 69 HD1 PHE 69 -4.771 -3.558 4.775 547 HD2 PHE 69 HD2 PHE 69 -6.091 0.513 4.773 548 HE1 PHE 69 HE1 PHE 69 -2.434 -2.793 4.923 549 HE2 PHE 69 HE2 PHE 69 -3.757 1.261 4.924 550 HZ PHE 69 HZ PHE 69 -1.929 -0.382 5.001 551 H GLN 70 H GLN 70 -9.134 -0.256 5.586 552 HA GLN 70 HA GLN 70 -7.819 1.705 7.055 553 HB2 GLN 70 2HB GLN 70 -10.728 1.616 6.162 554 HB3 GLN 70 3HB GLN 70 -9.878 3.072 6.689 555 HG2 GLN 70 2HG GLN 70 -8.271 2.781 4.808 556 HG3 GLN 70 3HG GLN 70 -9.182 1.375 4.268 557 HE21 GLN 70 1HE2 GLN 70 -9.649 2.293 2.263 558 HE22 GLN 70 2HE2 GLN 70 -10.748 3.612 2.073 559 H ASN 71 H ASN 71 -10.631 -0.283 8.026 560 HA ASN 71 HA ASN 71 -11.126 0.958 10.542 561 HB2 ASN 71 2HB ASN 71 -11.819 -1.836 9.522 562 HB3 ASN 71 3HB ASN 71 -12.353 -1.227 11.088 563 HD21 ASN 71 1HD2 ASN 71 -13.869 -2.021 8.662 564 HD22 ASN 71 2HD2 ASN 71 -14.880 -0.666 8.315 565 H GLU 72 H GLU 72 -9.641 -2.220 9.878 566 HA GLU 72 HA GLU 72 -8.713 -2.653 12.469 567 HB2 GLU 72 2HB GLU 72 -7.750 -3.955 9.896 568 HB3 GLU 72 3HB GLU 72 -7.526 -4.593 11.529 569 HG2 GLU 72 2HG GLU 72 -9.993 -4.737 11.800 570 HG3 GLU 72 3HG GLU 72 -10.195 -4.130 10.158 571 H ALA 73 H ALA 73 -7.091 -0.919 9.834 572 HA ALA 73 HA ALA 73 -4.578 -0.737 11.128 573 HB1 ALA 73 3HB ALA 73 -4.848 -0.252 8.737 574 HB2 ALA 73 1HB ALA 73 -4.105 1.109 9.584 575 HB3 ALA 73 2HB ALA 73 -5.810 1.177 9.122 576 H LYS 74 H LYS 74 -7.288 1.624 10.953 577 HA LYS 74 HA LYS 74 -6.078 3.612 12.503 578 HB2 LYS 74 2HB LYS 74 -8.188 4.746 12.592 579 HB3 LYS 74 3HB LYS 74 -8.108 3.936 11.032 580 HG2 LYS 74 2HG LYS 74 -9.606 2.163 11.841 581 HG3 LYS 74 3HG LYS 74 -9.633 2.890 13.446 582 HD2 LYS 74 2HD LYS 74 -11.682 3.468 12.309 583 HD3 LYS 74 3HD LYS 74 -10.700 4.927 12.462 584 HE2 LYS 74 2HE LYS 74 -9.990 4.676 10.096 585 HE3 LYS 74 3HE LYS 74 -10.976 3.218 9.960 586 HZ1 LYS 74 3HZ LYS 74 -11.975 5.953 10.524 587 HZ2 LYS 74 1HZ LYS 74 -12.934 4.567 10.459 588 HZ3 LYS 74 2HZ LYS 74 -12.142 5.115 9.071 589 H LYS 75 H LYS 75 -7.887 0.757 13.583 590 HA LYS 75 HA LYS 75 -8.368 1.726 16.253 591 HB2 LYS 75 2HB LYS 75 -9.219 -0.487 16.738 592 HB3 LYS 75 3HB LYS 75 -9.801 -0.012 15.145 593 HG2 LYS 75 2HG LYS 75 -8.198 -1.476 14.058 594 HG3 LYS 75 3HG LYS 75 -7.422 -1.845 15.597 595 HD2 LYS 75 2HD LYS 75 -8.839 -3.709 14.942 596 HD3 LYS 75 3HD LYS 75 -9.508 -2.936 16.378 597 HE2 LYS 75 2HE LYS 75 -11.188 -1.786 14.976 598 HE3 LYS 75 3HE LYS 75 -10.501 -2.535 13.532 599 HZ1 LYS 75 3HZ LYS 75 -12.439 -3.736 14.277 600 HZ2 LYS 75 1HZ LYS 75 -11.762 -3.967 15.808 601 HZ3 LYS 75 2HZ LYS 75 -11.069 -4.706 14.456 602 H GLU 76 H GLU 76 -5.779 -0.029 14.638 603 HA GLU 76 HA GLU 76 -4.396 -0.723 17.126 604 HB2 GLU 76 2HB GLU 76 -3.491 -1.153 14.248 605 HB3 GLU 76 3HB GLU 76 -2.804 -1.900 15.687 606 HG2 GLU 76 2HG GLU 76 -5.601 -2.372 14.611 607 HG3 GLU 76 3HG GLU 76 -4.227 -3.443 14.384 608 H GLY 77 H GLY 77 -4.637 2.013 15.248 609 HA2 GLY 77 2HA GLY 77 -3.524 4.017 15.391 610 HA3 GLY 77 3HA GLY 77 -2.306 3.270 16.410 611 H VAL 78 H VAL 78 -3.064 1.859 13.317 612 HA VAL 78 HA VAL 78 -0.417 2.446 12.252 613 HB VAL 78 HB VAL 78 -2.735 0.987 10.907 614 HG11 VAL 78 1HG1 VAL 78 -0.991 -0.039 9.471 615 HG12 VAL 78 2HG1 VAL 78 0.236 0.948 10.268 616 HG13 VAL 78 3HG1 VAL 78 -1.027 1.719 9.306 617 HG21 VAL 78 3HG2 VAL 78 -1.718 -1.135 11.638 618 HG22 VAL 78 1HG2 VAL 78 -2.175 -0.145 13.029 619 HG23 VAL 78 2HG2 VAL 78 -0.485 -0.250 12.534 620 H SER 79 H SER 79 -0.059 4.326 11.159 621 HA SER 79 HA SER 79 -2.238 6.042 10.303 622 HB2 SER 79 2HB SER 79 0.787 6.430 10.153 623 HB3 SER 79 3HB SER 79 -0.423 7.675 9.833 624 HG SER 79 HG SER 79 -0.851 7.837 11.916 625 H TYR 80 H TYR 80 -3.174 5.130 8.528 626 HA TYR 80 HA TYR 80 -1.546 4.221 6.251 627 HB2 TYR 80 2HB TYR 80 -3.651 3.200 5.420 628 HB3 TYR 80 3HB TYR 80 -3.281 2.661 7.052 629 HD1 TYR 80 HD1 TYR 80 -4.662 3.527 8.997 630 HD2 TYR 80 HD2 TYR 80 -5.686 4.450 4.952 631 HE1 TYR 80 HE1 TYR 80 -6.902 4.226 9.720 632 HE2 TYR 80 HE2 TYR 80 -7.920 5.148 5.679 633 HH TYR 80 HH TYR 80 -8.728 5.707 8.886 634 H ASP 81 H ASP 81 -1.433 5.344 4.392 635 HA ASP 81 HA ASP 81 -2.997 7.834 4.040 636 HB2 ASP 81 2HB ASP 81 -0.401 7.019 2.649 637 HB3 ASP 81 3HB ASP 81 -1.195 8.589 2.544 638 H VAL 82 H VAL 82 -4.709 7.477 2.738 639 HA VAL 82 HA VAL 82 -4.755 5.216 0.902 640 HB VAL 82 HB VAL 82 -6.933 7.239 1.610 641 HG11 VAL 82 1HG1 VAL 82 -8.529 5.677 0.531 642 HG12 VAL 82 2HG1 VAL 82 -7.181 4.660 0.018 643 HG13 VAL 82 3HG1 VAL 82 -7.347 6.292 -0.631 644 HG21 VAL 82 3HG2 VAL 82 -6.289 5.823 3.528 645 HG22 VAL 82 1HG2 VAL 82 -6.542 4.371 2.553 646 HG23 VAL 82 2HG2 VAL 82 -7.911 5.410 2.963 647 H LEU 83 H LEU 83 -3.508 5.653 -0.762 648 HA LEU 83 HA LEU 83 -3.619 8.159 -2.289 649 HB2 LEU 83 2HB LEU 83 -1.420 7.182 -1.673 650 HB3 LEU 83 3HB LEU 83 -1.833 5.701 -2.516 651 HG LEU 83 HG LEU 83 -1.867 7.006 -4.687 652 HD11 LEU 83 1HD1 LEU 83 -2.313 9.238 -3.805 653 HD12 LEU 83 2HD1 LEU 83 -0.847 9.228 -4.781 654 HD13 LEU 83 3HD1 LEU 83 -0.731 9.268 -3.020 655 HD21 LEU 83 3HD2 LEU 83 0.764 7.071 -3.176 656 HD22 LEU 83 1HD2 LEU 83 0.569 7.145 -4.932 657 HD23 LEU 83 2HD2 LEU 83 0.098 5.690 -4.055 658 H LYS 84 H LYS 84 -5.603 8.009 -3.349 659 HA LYS 84 HA LYS 84 -6.076 5.696 -5.142 660 HB2 LYS 84 2HB LYS 84 -7.990 7.855 -4.169 661 HB3 LYS 84 3HB LYS 84 -8.400 6.656 -5.395 662 HG2 LYS 84 2HG LYS 84 -7.870 4.865 -3.705 663 HG3 LYS 84 3HG LYS 84 -7.700 6.128 -2.491 664 HD2 LYS 84 2HD LYS 84 -10.258 5.754 -4.091 665 HD3 LYS 84 3HD LYS 84 -9.941 4.848 -2.613 666 HE2 LYS 84 2HE LYS 84 -11.318 6.734 -2.034 667 HE3 LYS 84 3HE LYS 84 -9.708 7.039 -1.395 668 HZ1 LYS 84 3HZ LYS 84 -10.759 8.978 -2.456 669 HZ2 LYS 84 1HZ LYS 84 -10.736 8.171 -3.937 670 HZ3 LYS 84 2HZ LYS 84 -9.284 8.564 -3.166 671 H SER 85 H SER 85 -4.877 6.057 -6.847 672 HA SER 85 HA SER 85 -5.627 8.121 -8.728 673 HB2 SER 85 2HB SER 85 -3.844 9.202 -7.225 674 HB3 SER 85 3HB SER 85 -2.687 8.066 -7.916 675 HG SER 85 HG SER 85 -2.799 9.063 -9.799 676 H THR 86 H THR 86 -5.048 7.587 -10.850 677 HA THR 86 HA THR 86 -3.933 4.865 -11.304 678 HB THR 86 HB THR 86 -5.506 4.752 -13.290 679 HG1 THR 86 HG1 THR 86 -5.994 6.873 -13.673 680 HG21 THR 86 3HG2 THR 86 -6.188 3.644 -11.199 681 HG22 THR 86 1HG2 THR 86 -7.593 4.342 -12.010 682 HG23 THR 86 2HG2 THR 86 -6.888 5.152 -10.608 683 H ASP 87 H ASP 87 -1.823 5.542 -11.804 684 HA ASP 87 HA ASP 87 -1.182 6.550 -14.336 685 HB2 ASP 87 2HB ASP 87 -0.086 8.766 -13.511 686 HB3 ASP 87 3HB ASP 87 -1.814 8.743 -13.805 687 HA PRO 88 HA PRO 88 2.036 3.922 -12.883 688 HB2 PRO 88 2HB PRO 88 3.702 3.878 -15.071 689 HB3 PRO 88 3HB PRO 88 2.092 3.127 -15.073 690 HG2 PRO 88 2HG PRO 88 2.896 5.833 -16.130 691 HG3 PRO 88 3HG PRO 88 1.898 4.578 -16.904 692 HD2 PRO 88 2HD PRO 88 0.763 6.698 -15.666 693 HD3 PRO 88 3HD PRO 88 0.009 5.088 -15.625 694 H GLU 89 H GLU 89 3.033 7.131 -13.957 695 HA GLU 89 HA GLU 89 5.752 6.814 -12.905 696 HB2 GLU 89 2HB GLU 89 6.268 9.018 -13.784 697 HB3 GLU 89 3HB GLU 89 5.470 8.081 -15.032 698 HG2 GLU 89 2HG GLU 89 4.077 10.204 -13.357 699 HG3 GLU 89 3HG GLU 89 4.820 10.511 -14.927 700 H GLU 90 H GLU 90 2.749 8.497 -12.132 701 HA GLU 90 HA GLU 90 3.815 10.176 -10.080 702 HB2 GLU 90 2HB GLU 90 1.797 10.769 -11.315 703 HB3 GLU 90 3HB GLU 90 0.986 9.322 -10.742 704 HG2 GLU 90 2HG GLU 90 0.113 11.157 -9.500 705 HG3 GLU 90 3HG GLU 90 1.137 10.236 -8.402 706 H LEU 91 H LEU 91 2.025 7.086 -10.075 707 HA LEU 91 HA LEU 91 1.862 6.813 -7.252 708 HB2 LEU 91 2HB LEU 91 1.842 4.680 -9.407 709 HB3 LEU 91 3HB LEU 91 1.466 4.378 -7.716 710 HG LEU 91 HG LEU 91 -0.132 6.153 -9.604 711 HD11 LEU 91 1HD1 LEU 91 -0.344 3.768 -10.112 712 HD12 LEU 91 2HD1 LEU 91 -1.850 4.432 -9.485 713 HD13 LEU 91 3HD1 LEU 91 -0.822 3.443 -8.443 714 HD21 LEU 91 3HD2 LEU 91 -0.250 7.020 -7.314 715 HD22 LEU 91 1HD2 LEU 91 -0.713 5.426 -6.709 716 HD23 LEU 91 2HD2 LEU 91 -1.789 6.312 -7.792 717 H THR 92 H THR 92 4.297 5.686 -9.643 718 HA THR 92 HA THR 92 5.940 4.212 -7.896 719 HB THR 92 HB THR 92 6.694 5.641 -10.486 720 HG1 THR 92 HG1 THR 92 5.897 3.918 -11.409 721 HG21 THR 92 3HG2 THR 92 8.260 3.505 -8.984 722 HG22 THR 92 1HG2 THR 92 8.760 5.181 -9.201 723 HG23 THR 92 2HG2 THR 92 8.645 4.106 -10.598 724 H GLN 93 H GLN 93 5.976 7.696 -8.712 725 HA GLN 93 HA GLN 93 8.426 8.215 -7.305 726 HB2 GLN 93 2HB GLN 93 8.095 10.558 -7.774 727 HB3 GLN 93 3HB GLN 93 7.680 9.644 -9.218 728 HG2 GLN 93 2HG GLN 93 5.285 9.899 -8.664 729 HG3 GLN 93 3HG GLN 93 5.710 10.868 -7.259 730 HE21 GLN 93 1HE2 GLN 93 6.485 12.978 -7.579 731 HE22 GLN 93 2HE2 GLN 93 6.307 13.798 -9.087 732 H ARG 94 H ARG 94 4.979 8.243 -6.433 733 HA ARG 94 HA ARG 94 5.307 9.630 -3.935 734 HB2 ARG 94 2HB ARG 94 3.060 7.856 -4.970 735 HB3 ARG 94 3HB ARG 94 3.001 8.677 -3.413 736 HG2 ARG 94 2HG ARG 94 3.211 10.041 -6.115 737 HG3 ARG 94 3HG ARG 94 1.743 9.890 -5.151 738 HD2 ARG 94 2HD ARG 94 2.783 11.257 -3.366 739 HD3 ARG 94 3HD ARG 94 4.256 11.396 -4.335 740 HE ARG 94 HE ARG 94 1.789 12.324 -5.574 741 HH11 ARG 94 1HH1 ARG 94 4.754 13.251 -3.903 742 HH12 ARG 94 2HH1 ARG 94 4.640 14.909 -4.401 743 HH21 ARG 94 1HH2 ARG 94 1.641 14.487 -6.164 744 HH22 ARG 94 2HH2 ARG 94 2.870 15.609 -5.685 745 H VAL 95 H VAL 95 5.026 6.203 -4.836 746 HA VAL 95 HA VAL 95 5.227 4.937 -2.367 747 HB VAL 95 HB VAL 95 6.199 4.078 -5.133 748 HG11 VAL 95 1HG1 VAL 95 6.390 1.744 -4.275 749 HG12 VAL 95 2HG1 VAL 95 6.124 2.342 -2.639 750 HG13 VAL 95 3HG1 VAL 95 7.568 2.827 -3.524 751 HG21 VAL 95 3HG2 VAL 95 4.205 2.619 -5.128 752 HG22 VAL 95 1HG2 VAL 95 3.750 4.309 -4.881 753 HG23 VAL 95 2HG2 VAL 95 3.781 3.194 -3.513 754 H ARG 96 H ARG 96 7.794 5.911 -4.624 755 HA ARG 96 HA ARG 96 9.854 4.800 -3.002 756 HB2 ARG 96 2HB ARG 96 11.377 5.369 -4.694 757 HB3 ARG 96 3HB ARG 96 9.887 4.990 -5.544 758 HG2 ARG 96 2HG ARG 96 9.460 7.460 -5.755 759 HG3 ARG 96 3HG ARG 96 11.047 7.746 -5.030 760 HD2 ARG 96 2HD ARG 96 10.415 6.412 -7.673 761 HD3 ARG 96 3HD ARG 96 11.348 7.883 -7.401 762 HE ARG 96 HE ARG 96 12.237 5.120 -7.027 763 HH11 ARG 96 1HH1 ARG 96 13.083 8.516 -6.761 764 HH12 ARG 96 2HH1 ARG 96 14.781 8.198 -6.647 765 HH21 ARG 96 1HH2 ARG 96 14.438 4.723 -6.868 766 HH22 ARG 96 2HH2 ARG 96 15.553 6.046 -6.705 767 H GLU 97 H GLU 97 8.638 8.148 -3.528 768 HA GLU 97 HA GLU 97 10.715 9.434 -2.082 769 HB2 GLU 97 2HB GLU 97 9.411 11.436 -2.084 770 HB3 GLU 97 3HB GLU 97 9.086 10.637 -3.616 771 HG2 GLU 97 2HG GLU 97 6.928 9.835 -2.766 772 HG3 GLU 97 3HG GLU 97 7.249 10.566 -1.196 773 H PHE 98 H PHE 98 7.583 8.056 -1.074 774 HA PHE 98 HA PHE 98 7.517 8.836 1.606 775 HB2 PHE 98 2HB PHE 98 5.637 7.816 0.335 776 HB3 PHE 98 3HB PHE 98 6.495 6.285 0.273 777 HD1 PHE 98 HD1 PHE 98 5.087 8.760 2.718 778 HD2 PHE 98 HD2 PHE 98 6.030 4.651 1.944 779 HE1 PHE 98 HE1 PHE 98 3.958 8.099 4.799 780 HE2 PHE 98 HE2 PHE 98 4.902 4.013 4.033 781 HZ PHE 98 HZ PHE 98 3.866 5.730 5.454 782 H LEU 99 H LEU 99 8.993 5.977 0.053 783 HA LEU 99 HA LEU 99 10.075 4.903 2.500 784 HB2 LEU 99 2HB LEU 99 10.669 4.218 -0.400 785 HB3 LEU 99 3HB LEU 99 11.268 3.307 0.980 786 HG LEU 99 HG LEU 99 8.332 3.634 0.229 787 HD11 LEU 99 1HD1 LEU 99 10.118 1.202 -0.036 788 HD12 LEU 99 2HD1 LEU 99 9.489 2.191 -1.356 789 HD13 LEU 99 3HD1 LEU 99 8.382 1.254 -0.356 790 HD21 LEU 99 3HD2 LEU 99 9.571 1.985 2.462 791 HD22 LEU 99 1HD2 LEU 99 7.870 1.963 1.985 792 HD23 LEU 99 2HD2 LEU 99 8.576 3.433 2.653 793 H LYS 100 H LYS 100 11.230 7.260 0.175 794 HA LYS 100 HA LYS 100 14.016 7.160 0.952 795 HB2 LYS 100 2HB LYS 100 12.395 9.186 -0.639 796 HB3 LYS 100 3HB LYS 100 14.089 9.454 -0.255 797 HG2 LYS 100 2HG LYS 100 12.995 7.144 -1.881 798 HG3 LYS 100 3HG LYS 100 13.775 8.587 -2.533 799 HD2 LYS 100 2HD LYS 100 15.876 7.948 -1.300 800 HD3 LYS 100 3HD LYS 100 15.076 6.465 -0.766 801 HE2 LYS 100 2HE LYS 100 14.805 5.790 -3.148 802 HE3 LYS 100 3HE LYS 100 15.670 7.249 -3.644 803 HZ1 LYS 100 3HZ LYS 100 17.616 6.474 -2.537 804 HZ2 LYS 100 1HZ LYS 100 17.060 5.243 -3.553 805 HZ3 LYS 100 2HZ LYS 100 16.796 5.147 -1.890 806 H THR 101 H THR 101 11.190 9.082 1.869 807 HA THR 101 HA THR 101 12.730 11.010 3.391 808 HB THR 101 HB THR 101 10.435 11.945 3.980 809 HG1 THR 101 HG1 THR 101 9.214 10.505 1.960 810 HG21 THR 101 3HG2 THR 101 11.004 11.625 1.010 811 HG22 THR 101 1HG2 THR 101 11.692 12.864 2.065 812 HG23 THR 101 2HG2 THR 101 9.957 12.850 1.732 813 H ALA 102 H ALA 102 10.147 8.643 4.160 814 HA ALA 102 HA ALA 102 10.549 8.995 7.026 815 HB1 ALA 102 3HB ALA 102 8.273 8.829 6.095 816 HB2 ALA 102 1HB ALA 102 8.588 7.540 7.261 817 HB3 ALA 102 2HB ALA 102 8.620 7.193 5.528 818 H GLY 103 H GLY 103 12.111 7.131 4.737 819 HA2 GLY 103 2HA GLY 103 12.090 4.493 5.782 820 HA3 GLY 103 3HA GLY 103 13.232 5.151 4.629 821 H SER 104 H SER 104 12.507 4.803 8.047 822 HA SER 104 HA SER 104 13.681 4.721 9.945 823 HB2 SER 104 2HB SER 104 15.876 3.654 8.135 824 HB3 SER 104 3HB SER 104 15.840 3.484 9.893 825 HG SER 104 HG SER 104 14.035 2.405 7.991 826 H LEU 105 H LEU 105 13.496 7.109 9.823 827 HA LEU 105 HA LEU 105 15.965 8.637 9.645 828 HB2 LEU 105 2HB LEU 105 13.204 9.356 10.710 829 HB3 LEU 105 3HB LEU 105 14.537 10.494 10.569 830 HG LEU 105 HG LEU 105 13.167 9.077 8.245 831 HD11 LEU 105 1HD1 LEU 105 12.289 11.289 7.643 832 HD12 LEU 105 2HD1 LEU 105 13.012 11.988 9.094 833 HD13 LEU 105 3HD1 LEU 105 11.728 10.786 9.238 834 HD21 LEU 105 3HD2 LEU 105 15.534 9.445 7.759 835 HD22 LEU 105 1HD2 LEU 105 15.392 11.148 8.207 836 HD23 LEU 105 2HD2 LEU 105 14.534 10.525 6.793 837 H GLU 106 H GLU 106 16.081 10.211 11.810 838 HA GLU 106 HA GLU 106 17.101 10.352 13.817 839 HB2 GLU 106 2HB GLU 106 15.106 8.155 14.530 840 HB3 GLU 106 3HB GLU 106 16.164 8.900 15.718 841 HG2 GLU 106 2HG GLU 106 13.994 9.920 15.893 842 HG3 GLU 106 3HG GLU 106 15.117 11.107 15.233 843 H HIS 107 H HIS 107 18.268 8.608 11.776 844 HA HIS 107 HA HIS 107 19.417 6.315 13.135 845 HB2 HIS 107 2HB HIS 107 20.655 5.925 10.976 846 HB3 HIS 107 3HB HIS 107 18.904 5.950 10.825 847 HD1 HIS 107 HD1 HIS 107 21.971 7.968 9.953 848 HD2 HIS 107 HD2 HIS 107 17.925 7.854 9.039 849 HE1 HIS 107 HE1 HIS 107 21.677 9.495 7.989 850 HE2 HIS 107 HE2 HIS 107 19.209 9.477 7.513 851 H HIS 108 H HIS 108 20.188 7.712 14.817 852 HA HIS 108 HA HIS 108 23.001 8.104 14.752 853 HB2 HIS 108 2HB HIS 108 22.345 10.298 13.740 854 HB3 HIS 108 3HB HIS 108 21.263 10.607 15.091 855 HD1 HIS 108 HD1 HIS 108 22.248 11.801 17.068 856 HD2 HIS 108 HD2 HIS 108 25.178 10.245 14.565 857 HE1 HIS 108 HE1 HIS 108 24.432 12.638 17.974 858 HE2 HIS 108 HE2 HIS 108 26.187 11.540 16.548 859 H HIS 109 H HIS 109 22.833 6.576 16.400 860 HA HIS 109 HA HIS 109 21.098 6.806 18.641 861 HB2 HIS 109 2HB HIS 109 21.943 4.606 18.046 862 HB3 HIS 109 3HB HIS 109 23.612 5.133 18.240 863 HD1 HIS 109 HD1 HIS 109 24.569 4.193 20.332 864 HD2 HIS 109 HD2 HIS 109 20.544 5.139 20.808 865 HE1 HIS 109 HE1 HIS 109 24.013 3.643 22.724 866 HE2 HIS 109 HE2 HIS 109 21.580 4.218 22.979 867 H HIS 110 H HIS 110 21.256 8.326 20.103 868 HA HIS 110 HA HIS 110 23.878 9.343 21.027 869 HB2 HIS 110 2HB HIS 110 22.596 11.320 21.852 870 HB3 HIS 110 3HB HIS 110 22.454 11.110 20.112 871 HD1 HIS 110 HD1 HIS 110 20.118 10.523 19.164 872 HD2 HIS 110 HD2 HIS 110 20.186 11.017 23.285 873 HE1 HIS 110 HE1 HIS 110 17.716 10.682 19.869 874 HE2 HIS 110 HE2 HIS 110 17.801 11.167 22.333 875 H HIS 111 H HIS 111 23.934 9.887 23.365 876 HA HIS 111 HA HIS 111 22.341 8.069 25.065 877 HB2 HIS 111 2HB HIS 111 24.393 7.508 26.358 878 HB3 HIS 111 3HB HIS 111 24.500 6.970 24.691 879 HD1 HIS 111 HD1 HIS 111 26.174 8.278 23.128 880 HD2 HIS 111 HD2 HIS 111 26.390 9.272 27.152 881 HE1 HIS 111 HE1 HIS 111 28.371 9.448 23.421 882 HE2 HIS 111 HE2 HIS 111 28.565 9.834 25.894 883 H HIS 112 H HIS 112 21.835 10.756 24.560 884 HA HIS 112 HA HIS 112 22.153 11.924 27.254 885 HB2 HIS 112 2HB HIS 112 23.800 13.082 25.780 886 HB3 HIS 112 3HB HIS 112 22.515 13.459 24.632 887 HD1 HIS 112 HD1 HIS 112 23.764 14.360 28.072 888 HD2 HIS 112 HD2 HIS 112 20.973 15.710 25.304 889 HE1 HIS 112 HE1 HIS 112 22.927 16.554 28.956 890 HE2 HIS 112 HE2 HIS 112 21.112 17.243 27.367 Start of MODEL 11 1 H1 MET 1 1H MET 1 5.017 0.643 16.411 2 H2 MET 1 2H MET 1 4.168 -0.607 15.662 3 H3 MET 1 3H MET 1 3.548 0.117 17.054 4 HA MET 1 HA MET 1 2.379 0.863 15.090 5 HB2 MET 1 2HB MET 1 2.400 3.203 15.599 6 HB3 MET 1 3HB MET 1 2.783 2.382 17.101 7 HG2 MET 1 2HG MET 1 4.738 3.817 15.290 8 HG3 MET 1 3HG MET 1 4.153 4.361 16.863 9 HE1 MET 1 3HE MET 1 7.994 3.452 17.370 10 HE2 MET 1 1HE MET 1 6.808 4.754 17.446 11 HE3 MET 1 2HE MET 1 7.267 4.067 15.886 12 H GLY 2 H GLY 2 2.577 2.518 13.241 13 HA2 GLY 2 2HA GLY 2 5.030 3.112 11.988 14 HA3 GLY 2 3HA GLY 2 4.388 1.627 11.282 15 H LYS 3 H LYS 3 4.509 3.305 9.384 16 HA LYS 3 HA LYS 3 1.755 4.305 9.028 17 HB2 LYS 3 2HB LYS 3 3.238 6.271 9.591 18 HB3 LYS 3 3HB LYS 3 4.193 5.928 8.150 19 HG2 LYS 3 2HG LYS 3 2.147 6.272 6.750 20 HG3 LYS 3 3HG LYS 3 1.239 6.674 8.206 21 HD2 LYS 3 2HD LYS 3 3.628 8.217 7.131 22 HD3 LYS 3 3HD LYS 3 1.941 8.690 6.943 23 HE2 LYS 3 2HE LYS 3 1.735 8.941 9.386 24 HE3 LYS 3 3HE LYS 3 3.418 8.443 9.587 25 HZ1 LYS 3 3HZ LYS 3 4.074 10.383 8.243 26 HZ2 LYS 3 1HZ LYS 3 3.260 10.833 9.655 27 HZ3 LYS 3 2HZ LYS 3 2.458 10.875 8.169 28 H VAL 4 H VAL 4 0.897 3.723 7.137 29 HA VAL 4 HA VAL 4 2.618 2.423 5.092 30 HB VAL 4 HB VAL 4 -0.328 1.811 5.655 31 HG11 VAL 4 1HG1 VAL 4 0.387 1.257 3.371 32 HG12 VAL 4 2HG1 VAL 4 0.061 -0.210 4.295 33 HG13 VAL 4 3HG1 VAL 4 1.727 0.294 4.004 34 HG21 VAL 4 3HG2 VAL 4 0.381 -0.250 6.800 35 HG22 VAL 4 1HG2 VAL 4 0.995 1.178 7.637 36 HG23 VAL 4 2HG2 VAL 4 2.075 0.216 6.625 37 H LEU 5 H LEU 5 2.242 2.982 2.930 38 HA LEU 5 HA LEU 5 0.250 5.067 2.305 39 HB2 LEU 5 2HB LEU 5 2.598 5.520 1.626 40 HB3 LEU 5 3HB LEU 5 2.625 4.031 0.696 41 HG LEU 5 HG LEU 5 0.835 4.984 -0.805 42 HD11 LEU 5 1HD1 LEU 5 -0.191 6.561 0.732 43 HD12 LEU 5 2HD1 LEU 5 0.329 7.373 -0.742 44 HD13 LEU 5 3HD1 LEU 5 1.275 7.547 0.740 45 HD21 LEU 5 3HD2 LEU 5 2.298 6.506 -2.044 46 HD22 LEU 5 1HD2 LEU 5 3.196 5.104 -1.459 47 HD23 LEU 5 2HD2 LEU 5 3.357 6.660 -0.640 48 H LEU 6 H LEU 6 -1.646 4.126 1.771 49 HA LEU 6 HA LEU 6 -1.787 1.420 0.707 50 HB2 LEU 6 2HB LEU 6 -3.238 2.226 2.609 51 HB3 LEU 6 3HB LEU 6 -3.992 3.373 1.513 52 HG LEU 6 HG LEU 6 -4.842 1.422 0.148 53 HD11 LEU 6 1HD1 LEU 6 -4.829 -0.828 1.131 54 HD12 LEU 6 2HD1 LEU 6 -3.769 -0.262 2.423 55 HD13 LEU 6 3HD1 LEU 6 -3.202 -0.265 0.750 56 HD21 LEU 6 3HD2 LEU 6 -5.707 1.462 3.058 57 HD22 LEU 6 1HD2 LEU 6 -6.643 0.808 1.709 58 HD23 LEU 6 2HD2 LEU 6 -6.291 2.533 1.783 59 H VAL 7 H VAL 7 -1.216 1.503 -1.436 60 HA VAL 7 HA VAL 7 -2.095 3.644 -3.214 61 HB VAL 7 HB VAL 7 -0.390 1.164 -3.778 62 HG11 VAL 7 1HG1 VAL 7 0.235 2.293 -5.906 63 HG12 VAL 7 2HG1 VAL 7 -0.951 3.556 -5.571 64 HG13 VAL 7 3HG1 VAL 7 -1.485 1.892 -5.836 65 HG21 VAL 7 3HG2 VAL 7 1.530 2.730 -3.824 66 HG22 VAL 7 1HG2 VAL 7 0.746 2.684 -2.242 67 HG23 VAL 7 2HG2 VAL 7 0.462 4.042 -3.327 68 H ILE 8 H ILE 8 -4.147 3.448 -3.770 69 HA ILE 8 HA ILE 8 -5.361 0.879 -4.531 70 HB ILE 8 HB ILE 8 -6.753 3.524 -3.895 71 HG12 ILE 8 2HG1 ILE 8 -6.390 1.147 -2.020 72 HG13 ILE 8 3HG1 ILE 8 -5.471 2.642 -1.919 73 HG21 ILE 8 1HG2 ILE 8 -8.799 2.163 -3.662 74 HG22 ILE 8 2HG2 ILE 8 -7.892 0.711 -4.084 75 HG23 ILE 8 3HG2 ILE 8 -8.108 1.990 -5.279 76 HD11 ILE 8 3HD1 ILE 8 -7.219 2.600 -0.279 77 HD12 ILE 8 1HD1 ILE 8 -8.442 2.356 -1.524 78 HD13 ILE 8 2HD1 ILE 8 -7.532 3.868 -1.462 79 H SER 9 H SER 9 -5.654 0.566 -6.639 80 HA SER 9 HA SER 9 -6.583 2.688 -8.393 81 HB2 SER 9 2HB SER 9 -4.122 2.703 -8.799 82 HB3 SER 9 3HB SER 9 -4.161 0.969 -9.111 83 HG SER 9 HG SER 9 -5.176 3.084 -10.677 84 H THR 10 H THR 10 -7.945 1.852 -9.973 85 HA THR 10 HA THR 10 -8.944 -0.848 -9.491 86 HB THR 10 HB THR 10 -10.796 -0.097 -11.060 87 HG1 THR 10 HG1 THR 10 -9.393 1.536 -12.117 88 HG21 THR 10 3HG2 THR 10 -10.273 1.754 -8.693 89 HG22 THR 10 1HG2 THR 10 -11.072 0.179 -8.607 90 HG23 THR 10 2HG2 THR 10 -11.829 1.508 -9.486 91 H ASP 11 H ASP 11 -6.443 0.169 -11.205 92 HA ASP 11 HA ASP 11 -6.916 -1.544 -13.570 93 HB2 ASP 11 2HB ASP 11 -5.340 1.067 -13.399 94 HB3 ASP 11 3HB ASP 11 -5.351 0.004 -14.803 95 H THR 12 H THR 12 -5.971 -3.363 -12.919 96 HA THR 12 HA THR 12 -3.675 -3.692 -11.334 97 HB THR 12 HB THR 12 -5.102 -5.563 -13.265 98 HG1 THR 12 HG1 THR 12 -6.150 -4.771 -11.278 99 HG21 THR 12 3HG2 THR 12 -3.964 -7.455 -12.146 100 HG22 THR 12 1HG2 THR 12 -2.964 -6.326 -11.231 101 HG23 THR 12 2HG2 THR 12 -2.800 -6.431 -12.986 102 H ASN 13 H ASN 13 -4.043 -3.132 -14.780 103 HA ASN 13 HA ASN 13 -1.501 -3.848 -15.745 104 HB2 ASN 13 2HB ASN 13 -3.413 -1.631 -16.613 105 HB3 ASN 13 3HB ASN 13 -1.925 -1.998 -17.481 106 HD21 ASN 13 1HD2 ASN 13 -3.016 -2.549 -19.361 107 HD22 ASN 13 2HD2 ASN 13 -3.958 -3.988 -19.512 108 H ILE 14 H ILE 14 -2.661 -0.844 -14.210 109 HA ILE 14 HA ILE 14 -0.192 0.592 -14.483 110 HB ILE 14 HB ILE 14 -2.627 1.107 -12.717 111 HG12 ILE 14 2HG1 ILE 14 -3.091 1.141 -15.173 112 HG13 ILE 14 3HG1 ILE 14 -3.330 2.704 -14.422 113 HG21 ILE 14 1HG2 ILE 14 -0.687 2.271 -11.779 114 HG22 ILE 14 2HG2 ILE 14 -1.816 3.428 -12.486 115 HG23 ILE 14 3HG2 ILE 14 -0.337 3.001 -13.349 116 HD11 ILE 14 3HD1 ILE 14 -1.194 3.476 -15.330 117 HD12 ILE 14 1HD1 ILE 14 -2.303 2.928 -16.585 118 HD13 ILE 14 2HD1 ILE 14 -0.958 1.899 -16.093 119 H ILE 15 H ILE 15 -1.856 -1.109 -11.839 120 HA ILE 15 HA ILE 15 -0.058 -0.647 -9.744 121 HB ILE 15 HB ILE 15 -1.956 -2.992 -10.208 122 HG12 ILE 15 2HG1 ILE 15 -2.206 -0.462 -8.520 123 HG13 ILE 15 3HG1 ILE 15 -3.095 -0.828 -9.992 124 HG21 ILE 15 1HG2 ILE 15 -0.498 -2.320 -7.627 125 HG22 ILE 15 2HG2 ILE 15 -0.191 -3.725 -8.647 126 HG23 ILE 15 3HG2 ILE 15 -1.739 -3.562 -7.819 127 HD11 ILE 15 3HD1 ILE 15 -4.217 -2.676 -8.825 128 HD12 ILE 15 1HD1 ILE 15 -4.496 -1.111 -8.063 129 HD13 ILE 15 2HD1 ILE 15 -3.354 -2.245 -7.345 130 H SER 16 H SER 16 -0.113 -3.187 -12.224 131 HA SER 16 HA SER 16 1.889 -4.875 -11.203 132 HB2 SER 16 2HB SER 16 0.341 -5.587 -12.989 133 HB3 SER 16 3HB SER 16 1.063 -4.435 -14.112 134 HG SER 16 HG SER 16 3.009 -5.611 -13.978 135 H SER 17 H SER 17 2.052 -2.235 -13.591 136 HA SER 17 HA SER 17 4.773 -2.402 -14.245 137 HB2 SER 17 2HB SER 17 2.944 0.038 -14.218 138 HB3 SER 17 3HB SER 17 4.472 -0.085 -15.094 139 HG SER 17 HG SER 17 3.414 -2.009 -16.129 140 H VAL 18 H VAL 18 3.129 -0.361 -11.830 141 HA VAL 18 HA VAL 18 5.454 0.968 -10.852 142 HB VAL 18 HB VAL 18 2.829 0.540 -9.344 143 HG11 VAL 18 1HG1 VAL 18 4.904 2.746 -9.071 144 HG12 VAL 18 2HG1 VAL 18 4.658 1.413 -7.938 145 HG13 VAL 18 3HG1 VAL 18 3.394 2.622 -8.167 146 HG21 VAL 18 3HG2 VAL 18 3.507 2.796 -11.261 147 HG22 VAL 18 1HG2 VAL 18 2.024 2.633 -10.320 148 HG23 VAL 18 2HG2 VAL 18 2.393 1.472 -11.592 149 H GLN 19 H GLN 19 3.713 -1.930 -9.866 150 HA GLN 19 HA GLN 19 4.919 -2.495 -7.395 151 HB2 GLN 19 2HB GLN 19 2.850 -3.597 -8.201 152 HB3 GLN 19 3HB GLN 19 3.748 -4.393 -9.484 153 HG2 GLN 19 2HG GLN 19 5.067 -5.578 -7.673 154 HG3 GLN 19 3HG GLN 19 3.930 -4.909 -6.508 155 HE21 GLN 19 1HE2 GLN 19 1.589 -5.209 -8.257 156 HE22 GLN 19 2HE2 GLN 19 1.255 -6.898 -8.315 157 H GLU 20 H GLU 20 5.688 -3.622 -10.686 158 HA GLU 20 HA GLU 20 7.827 -5.352 -10.026 159 HB2 GLU 20 2HB GLU 20 7.094 -3.974 -12.645 160 HB3 GLU 20 3HB GLU 20 8.347 -5.206 -12.514 161 HG2 GLU 20 2HG GLU 20 6.723 -6.886 -11.857 162 HG3 GLU 20 3HG GLU 20 5.446 -5.678 -11.752 163 H ARG 21 H ARG 21 7.787 -1.935 -11.085 164 HA ARG 21 HA ARG 21 10.663 -1.795 -11.267 165 HB2 ARG 21 2HB ARG 21 10.376 0.565 -11.811 166 HB3 ARG 21 3HB ARG 21 9.246 -0.424 -12.721 167 HG2 ARG 21 2HG ARG 21 7.485 0.218 -10.989 168 HG3 ARG 21 3HG ARG 21 8.634 1.427 -10.409 169 HD2 ARG 21 2HD ARG 21 7.034 2.420 -11.991 170 HD3 ARG 21 3HD ARG 21 8.669 2.467 -12.656 171 HE ARG 21 HE ARG 21 7.541 0.133 -13.598 172 HH11 ARG 21 1HH1 ARG 21 6.718 3.556 -13.942 173 HH12 ARG 21 2HH1 ARG 21 5.998 3.328 -15.500 174 HH21 ARG 21 1HH2 ARG 21 6.661 -0.118 -15.643 175 HH22 ARG 21 2HH2 ARG 21 5.966 1.246 -16.467 176 H ALA 22 H ALA 22 8.279 -1.003 -8.768 177 HA ALA 22 HA ALA 22 10.094 0.370 -7.019 178 HB1 ALA 22 3HB ALA 22 7.665 0.705 -6.896 179 HB2 ALA 22 1HB ALA 22 8.306 0.164 -5.346 180 HB3 ALA 22 2HB ALA 22 7.442 -0.972 -6.390 181 H LYS 23 H LYS 23 8.945 -2.998 -7.248 182 HA LYS 23 HA LYS 23 10.382 -4.035 -5.011 183 HB2 LYS 23 2HB LYS 23 9.156 -5.375 -7.458 184 HB3 LYS 23 3HB LYS 23 9.955 -6.294 -6.186 185 HG2 LYS 23 2HG LYS 23 8.299 -5.637 -4.555 186 HG3 LYS 23 3HG LYS 23 7.590 -4.467 -5.671 187 HD2 LYS 23 2HD LYS 23 6.168 -6.442 -5.554 188 HD3 LYS 23 3HD LYS 23 6.883 -6.319 -7.162 189 HE2 LYS 23 2HE LYS 23 6.940 -8.633 -6.489 190 HE3 LYS 23 3HE LYS 23 8.598 -8.030 -6.434 191 HZ1 LYS 23 3HZ LYS 23 6.776 -8.356 -4.102 192 HZ2 LYS 23 1HZ LYS 23 8.348 -7.746 -4.026 193 HZ3 LYS 23 2HZ LYS 23 8.086 -9.350 -4.479 194 H HIS 24 H HIS 24 11.326 -3.279 -8.292 195 HA HIS 24 HA HIS 24 13.712 -4.902 -8.311 196 HB2 HIS 24 2HB HIS 24 12.509 -4.187 -10.393 197 HB3 HIS 24 3HB HIS 24 13.022 -2.529 -10.102 198 HD1 HIS 24 HD1 HIS 24 14.654 -2.143 -11.970 199 HD2 HIS 24 HD2 HIS 24 15.325 -5.777 -10.056 200 HE1 HIS 24 HE1 HIS 24 16.757 -3.070 -12.986 201 HE2 HIS 24 HE2 HIS 24 17.222 -5.182 -11.702 202 H ASN 25 H ASN 25 12.967 -1.522 -7.484 203 HA ASN 25 HA ASN 25 15.750 -0.795 -7.038 204 HB2 ASN 25 2HB ASN 25 13.131 0.668 -6.496 205 HB3 ASN 25 3HB ASN 25 14.688 1.326 -6.008 206 HD21 ASN 25 1HD2 ASN 25 12.505 0.912 -8.619 207 HD22 ASN 25 2HD2 ASN 25 13.482 1.637 -9.843 208 H TYR 26 H TYR 26 12.960 -1.614 -5.029 209 HA TYR 26 HA TYR 26 14.519 -1.369 -2.543 210 HB2 TYR 26 2HB TYR 26 11.519 -1.679 -3.065 211 HB3 TYR 26 3HB TYR 26 12.236 -1.621 -1.456 212 HD1 TYR 26 HD1 TYR 26 13.470 0.487 -0.728 213 HD2 TYR 26 HD2 TYR 26 11.074 0.388 -4.270 214 HE1 TYR 26 HE1 TYR 26 13.407 2.943 -0.757 215 HE2 TYR 26 HE2 TYR 26 11.009 2.849 -4.295 216 HH TYR 26 HH TYR 26 13.057 4.763 -2.346 217 HA PRO 27 HA PRO 27 14.780 -5.862 -2.075 218 HB2 PRO 27 2HB PRO 27 14.876 -6.183 0.620 219 HB3 PRO 27 3HB PRO 27 16.173 -5.330 -0.248 220 HG2 PRO 27 2HG PRO 27 13.836 -4.167 1.251 221 HG3 PRO 27 3HG PRO 27 15.554 -3.717 1.346 222 HD2 PRO 27 2HD PRO 27 13.766 -2.323 -0.165 223 HD3 PRO 27 3HD PRO 27 15.479 -2.478 -0.622 224 H GLY 28 H GLY 28 11.980 -4.821 -2.397 225 HA2 GLY 28 2HA GLY 28 9.780 -5.296 -1.994 226 HA3 GLY 28 3HA GLY 28 10.313 -6.851 -1.356 227 H ARG 29 H ARG 29 8.787 -6.761 0.320 228 HA ARG 29 HA ARG 29 8.078 -6.573 2.429 229 HB2 ARG 29 2HB ARG 29 10.517 -6.767 3.004 230 HB3 ARG 29 3HB ARG 29 10.626 -5.010 3.017 231 HG2 ARG 29 2HG ARG 29 8.990 -4.947 4.877 232 HG3 ARG 29 3HG ARG 29 8.931 -6.709 4.865 233 HD2 ARG 29 2HD ARG 29 11.439 -6.684 5.336 234 HD3 ARG 29 3HD ARG 29 11.289 -4.942 5.601 235 HE ARG 29 HE ARG 29 9.387 -6.299 7.183 236 HH11 ARG 29 1HH1 ARG 29 12.897 -5.837 7.087 237 HH12 ARG 29 2HH1 ARG 29 13.075 -6.084 8.795 238 HH21 ARG 29 1HH2 ARG 29 9.665 -6.658 9.386 239 HH22 ARG 29 2HH2 ARG 29 11.246 -6.549 10.096 240 H TYR 30 H TYR 30 9.745 -3.453 2.114 241 HA TYR 30 HA TYR 30 7.844 -1.649 2.953 242 HB2 TYR 30 2HB TYR 30 9.911 -1.341 0.725 243 HB3 TYR 30 3HB TYR 30 9.050 0.005 1.468 244 HD1 TYR 30 HD2 TYR 30 11.680 -2.552 1.979 245 HD2 TYR 30 HD1 TYR 30 9.643 0.778 3.725 246 HE1 TYR 30 HE2 TYR 30 13.399 -2.418 3.727 247 HE2 TYR 30 HE1 TYR 30 11.364 0.919 5.473 248 HH TYR 30 HH TYR 30 13.017 -0.501 6.532 249 H ILE 31 H ILE 31 8.167 -3.158 -0.236 250 HA ILE 31 HA ILE 31 5.536 -2.081 -1.035 251 HB ILE 31 HB ILE 31 7.699 -3.505 -2.663 252 HG12 ILE 31 2HG1 ILE 31 7.499 -1.430 -4.128 253 HG13 ILE 31 3HG1 ILE 31 6.437 -0.729 -2.918 254 HG21 ILE 31 1HG2 ILE 31 6.183 -3.393 -4.636 255 HG22 ILE 31 2HG2 ILE 31 4.875 -2.851 -3.585 256 HG23 ILE 31 3HG2 ILE 31 5.557 -4.464 -3.377 257 HD11 ILE 31 3HD1 ILE 31 9.330 -1.484 -2.527 258 HD12 ILE 31 1HD1 ILE 31 8.284 -0.752 -1.309 259 HD13 ILE 31 2HD1 ILE 31 8.699 0.145 -2.770 260 H ARG 32 H ARG 32 3.845 -3.294 -0.656 261 HA ARG 32 HA ARG 32 3.946 -6.240 -0.553 262 HB2 ARG 32 2HB ARG 32 4.013 -5.369 1.765 263 HB3 ARG 32 3HB ARG 32 2.644 -4.313 1.440 264 HG2 ARG 32 2HG ARG 32 1.916 -6.205 2.754 265 HG3 ARG 32 3HG ARG 32 1.196 -6.308 1.148 266 HD2 ARG 32 2HD ARG 32 2.841 -8.010 0.502 267 HD3 ARG 32 3HD ARG 32 3.635 -7.867 2.077 268 HE ARG 32 HE ARG 32 0.793 -8.673 1.930 269 HH11 ARG 32 1HH1 ARG 32 4.129 -9.530 2.712 270 HH12 ARG 32 2HH1 ARG 32 3.680 -10.973 3.562 271 HH21 ARG 32 1HH2 ARG 32 0.238 -10.549 3.094 272 HH22 ARG 32 2HH2 ARG 32 1.485 -11.546 3.779 273 H THR 33 H THR 33 1.984 -7.193 -1.342 274 HA THR 33 HA THR 33 0.021 -5.323 -2.559 275 HB THR 33 HB THR 33 -0.453 -7.256 -4.155 276 HG1 THR 33 HG1 THR 33 0.409 -9.070 -3.422 277 HG21 THR 33 3HG2 THR 33 2.385 -6.157 -4.184 278 HG22 THR 33 1HG2 THR 33 0.964 -5.351 -4.853 279 HG23 THR 33 2HG2 THR 33 1.539 -6.861 -5.563 280 H ALA 34 H ALA 34 -1.915 -5.318 -1.691 281 HA ALA 34 HA ALA 34 -2.888 -7.507 0.027 282 HB1 ALA 34 3HB ALA 34 -3.231 -5.232 0.883 283 HB2 ALA 34 1HB ALA 34 -4.783 -5.997 0.542 284 HB3 ALA 34 2HB ALA 34 -4.128 -4.789 -0.570 285 H THR 35 H THR 35 -3.438 -9.132 -1.322 286 HA THR 35 HA THR 35 -5.350 -8.669 -3.516 287 HB THR 35 HB THR 35 -3.382 -10.130 -3.961 288 HG1 THR 35 HG1 THR 35 -5.398 -10.469 -5.057 289 HG21 THR 35 3HG2 THR 35 -3.248 -12.394 -2.969 290 HG22 THR 35 1HG2 THR 35 -4.611 -12.025 -1.914 291 HG23 THR 35 2HG2 THR 35 -3.089 -11.149 -1.729 292 H SER 36 H SER 36 -5.384 -9.222 -0.241 293 HA SER 36 HA SER 36 -8.170 -10.064 -0.172 294 HB2 SER 36 2HB SER 36 -7.018 -12.244 -0.192 295 HB3 SER 36 3HB SER 36 -5.935 -11.730 1.098 296 HG SER 36 HG SER 36 -8.448 -12.756 1.231 297 H SER 37 H SER 37 -9.147 -9.608 1.847 298 HA SER 37 HA SER 37 -7.953 -7.661 3.554 299 HB2 SER 37 2HB SER 37 -10.042 -8.141 4.979 300 HB3 SER 37 3HB SER 37 -10.311 -7.557 3.340 301 HG SER 37 HG SER 37 -11.252 -9.357 2.846 302 H GLN 38 H GLN 38 -8.084 -11.167 3.581 303 HA GLN 38 HA GLN 38 -7.227 -11.550 6.285 304 HB2 GLN 38 2HB GLN 38 -6.823 -13.397 3.892 305 HB3 GLN 38 3HB GLN 38 -6.684 -13.851 5.585 306 HG2 GLN 38 2HG GLN 38 -9.212 -13.037 4.125 307 HG3 GLN 38 3HG GLN 38 -8.793 -14.647 4.700 308 HE21 GLN 38 1HE2 GLN 38 -9.965 -11.508 5.586 309 HE22 GLN 38 2HE2 GLN 38 -10.446 -11.908 7.194 310 H ASP 39 H ASP 39 -5.521 -11.218 3.150 311 HA ASP 39 HA ASP 39 -2.861 -11.440 3.990 312 HB2 ASP 39 2HB ASP 39 -3.678 -11.257 1.572 313 HB3 ASP 39 3HB ASP 39 -3.917 -9.539 1.833 314 H ILE 40 H ILE 40 -5.017 -8.643 3.801 315 HA ILE 40 HA ILE 40 -3.418 -6.566 4.655 316 HB ILE 40 HB ILE 40 -6.389 -7.101 4.805 317 HG12 ILE 40 2HG1 ILE 40 -4.767 -5.004 3.296 318 HG13 ILE 40 3HG1 ILE 40 -5.297 -6.541 2.631 319 HG21 ILE 40 1HG2 ILE 40 -6.034 -5.787 6.823 320 HG22 ILE 40 2HG2 ILE 40 -6.863 -4.820 5.602 321 HG23 ILE 40 3HG2 ILE 40 -5.143 -4.572 5.905 322 HD11 ILE 40 3HD1 ILE 40 -7.631 -5.821 2.882 323 HD12 ILE 40 1HD1 ILE 40 -6.688 -4.759 1.838 324 HD13 ILE 40 2HD1 ILE 40 -7.069 -4.260 3.486 325 H ARG 41 H ARG 41 -5.414 -8.749 6.703 326 HA ARG 41 HA ARG 41 -4.877 -7.675 9.199 327 HB2 ARG 41 2HB ARG 41 -5.620 -10.423 8.245 328 HB3 ARG 41 3HB ARG 41 -4.951 -10.328 9.868 329 HG2 ARG 41 2HG ARG 41 -7.414 -10.282 9.882 330 HG3 ARG 41 3HG ARG 41 -6.726 -8.812 10.566 331 HD2 ARG 41 2HD ARG 41 -7.180 -7.621 8.460 332 HD3 ARG 41 3HD ARG 41 -7.847 -9.103 7.767 333 HE ARG 41 HE ARG 41 -9.075 -8.082 10.220 334 HH11 ARG 41 1HH1 ARG 41 -9.288 -8.404 6.730 335 HH12 ARG 41 2HH1 ARG 41 -10.983 -8.027 6.680 336 HH21 ARG 41 1HH2 ARG 41 -11.300 -7.560 10.112 337 HH22 ARG 41 2HH2 ARG 41 -12.109 -7.552 8.576 338 H ASP 42 H ASP 42 -2.932 -10.089 7.400 339 HA ASP 42 HA ASP 42 -0.891 -10.443 9.317 340 HB2 ASP 42 2HB ASP 42 -1.237 -12.035 7.471 341 HB3 ASP 42 3HB ASP 42 -0.810 -10.808 6.286 342 H ILE 43 H ILE 43 -1.294 -8.048 6.712 343 HA ILE 43 HA ILE 43 1.298 -6.948 6.652 344 HB ILE 43 HB ILE 43 -1.409 -5.658 6.065 345 HG12 ILE 43 2HG1 ILE 43 0.645 -6.816 4.118 346 HG13 ILE 43 3HG1 ILE 43 -0.825 -7.635 4.629 347 HG21 ILE 43 1HG2 ILE 43 1.325 -4.598 5.299 348 HG22 ILE 43 2HG2 ILE 43 0.237 -3.895 6.497 349 HG23 ILE 43 3HG2 ILE 43 -0.226 -3.920 4.797 350 HD11 ILE 43 3HD1 ILE 43 -1.141 -6.684 2.450 351 HD12 ILE 43 1HD1 ILE 43 -0.659 -5.088 3.025 352 HD13 ILE 43 2HD1 ILE 43 -2.155 -5.821 3.604 353 H ILE 44 H ILE 44 -1.581 -5.932 8.450 354 HA ILE 44 HA ILE 44 -0.307 -3.728 9.767 355 HB ILE 44 HB ILE 44 -3.048 -5.008 10.194 356 HG12 ILE 44 2HG1 ILE 44 -2.225 -2.520 8.609 357 HG13 ILE 44 3HG1 ILE 44 -2.638 -4.073 7.897 358 HG21 ILE 44 1HG2 ILE 44 -2.018 -2.324 11.192 359 HG22 ILE 44 2HG2 ILE 44 -2.393 -3.727 12.197 360 HG23 ILE 44 3HG2 ILE 44 -3.682 -2.894 11.325 361 HD11 ILE 44 3HD1 ILE 44 -4.450 -2.503 7.682 362 HD12 ILE 44 1HD1 ILE 44 -4.504 -2.274 9.431 363 HD13 ILE 44 2HD1 ILE 44 -4.921 -3.840 8.731 364 H LYS 45 H LYS 45 -1.015 -7.097 10.625 365 HA LYS 45 HA LYS 45 -0.338 -7.105 13.356 366 HB2 LYS 45 2HB LYS 45 -0.005 -9.220 11.195 367 HB3 LYS 45 3HB LYS 45 0.486 -9.527 12.854 368 HG2 LYS 45 2HG LYS 45 -1.745 -9.475 13.659 369 HG3 LYS 45 3HG LYS 45 -2.345 -8.688 12.196 370 HD2 LYS 45 2HD LYS 45 -2.993 -11.074 12.254 371 HD3 LYS 45 3HD LYS 45 -1.938 -10.723 10.889 372 HE2 LYS 45 2HE LYS 45 -1.245 -12.822 11.815 373 HE3 LYS 45 3HE LYS 45 -0.015 -11.640 12.265 374 HZ1 LYS 45 3HZ LYS 45 -1.063 -11.475 14.454 375 HZ2 LYS 45 1HZ LYS 45 -0.577 -13.059 14.118 376 HZ3 LYS 45 2HZ LYS 45 -2.209 -12.636 14.000 377 H SER 46 H SER 46 1.726 -7.421 10.437 378 HA SER 46 HA SER 46 4.200 -7.718 11.744 379 HB2 SER 46 2HB SER 46 3.619 -6.529 8.987 380 HB3 SER 46 3HB SER 46 5.181 -7.143 9.540 381 HG SER 46 HG SER 46 3.122 -8.504 8.467 382 H MET 47 H MET 47 2.425 -4.827 10.608 383 HA MET 47 HA MET 47 4.538 -2.957 10.979 384 HB2 MET 47 2HB MET 47 1.530 -2.556 10.704 385 HB3 MET 47 3HB MET 47 2.684 -1.226 10.754 386 HG2 MET 47 2HG MET 47 2.587 -3.408 8.658 387 HG3 MET 47 3HG MET 47 2.060 -1.737 8.454 388 HE1 MET 47 3HE MET 47 5.487 0.208 8.639 389 HE2 MET 47 1HE MET 47 4.371 -0.088 9.972 390 HE3 MET 47 2HE MET 47 3.748 0.359 8.381 391 H LYS 48 H LYS 48 2.479 -4.429 13.301 392 HA LYS 48 HA LYS 48 2.353 -2.390 15.281 393 HB2 LYS 48 2HB LYS 48 2.319 -5.418 15.622 394 HB3 LYS 48 3HB LYS 48 1.852 -4.256 16.862 395 HG2 LYS 48 2HG LYS 48 0.012 -3.468 15.368 396 HG3 LYS 48 3HG LYS 48 0.455 -4.730 14.214 397 HD2 LYS 48 2HD LYS 48 0.022 -6.435 16.037 398 HD3 LYS 48 3HD LYS 48 -0.589 -5.121 17.047 399 HE2 LYS 48 2HE LYS 48 -2.273 -4.640 15.216 400 HE3 LYS 48 3HE LYS 48 -1.733 -6.121 14.425 401 HZ1 LYS 48 3HZ LYS 48 -3.684 -6.540 15.736 402 HZ2 LYS 48 1HZ LYS 48 -2.954 -5.908 17.124 403 HZ3 LYS 48 2HZ LYS 48 -2.376 -7.345 16.444 404 H ASP 49 H ASP 49 4.606 -5.070 14.723 405 HA ASP 49 HA ASP 49 6.397 -4.274 16.898 406 HB2 ASP 49 2HB ASP 49 5.980 -6.646 16.685 407 HB3 ASP 49 3HB ASP 49 6.342 -6.629 14.966 408 H ASN 50 H ASN 50 6.370 -4.505 13.363 409 HA ASN 50 HA ASN 50 9.145 -4.187 12.917 410 HB2 ASN 50 2HB ASN 50 6.753 -3.824 11.066 411 HB3 ASN 50 3HB ASN 50 8.415 -3.705 10.511 412 HD21 ASN 50 1HD2 ASN 50 7.549 -6.139 12.936 413 HD22 ASN 50 2HD2 ASN 50 7.632 -7.481 11.857 414 H GLY 51 H GLY 51 6.542 -1.870 12.032 415 HA2 GLY 51 2HA GLY 51 6.542 0.464 12.214 416 HA3 GLY 51 3HA GLY 51 8.198 0.425 12.798 417 H LYS 52 H LYS 52 8.824 2.078 11.344 418 HA LYS 52 HA LYS 52 9.682 3.012 9.481 419 HB2 LYS 52 2HB LYS 52 9.849 0.090 8.699 420 HB3 LYS 52 3HB LYS 52 10.242 1.317 7.505 421 HG2 LYS 52 2HG LYS 52 12.311 0.672 8.457 422 HG3 LYS 52 3HG LYS 52 11.936 2.245 9.156 423 HD2 LYS 52 2HD LYS 52 12.854 0.766 10.859 424 HD3 LYS 52 3HD LYS 52 11.164 1.117 11.232 425 HE2 LYS 52 2HE LYS 52 10.490 -1.068 10.392 426 HE3 LYS 52 3HE LYS 52 12.135 -1.402 9.845 427 HZ1 LYS 52 3HZ LYS 52 12.898 -1.456 12.077 428 HZ2 LYS 52 1HZ LYS 52 11.543 -2.453 11.974 429 HZ3 LYS 52 2HZ LYS 52 11.408 -0.928 12.681 430 HA PRO 53 HA PRO 53 6.335 3.779 6.490 431 HB2 PRO 53 2HB PRO 53 7.625 4.249 4.108 432 HB3 PRO 53 3HB PRO 53 7.612 5.414 5.437 433 HG2 PRO 53 2HG PRO 53 9.759 3.450 4.708 434 HG3 PRO 53 3HG PRO 53 9.910 5.176 5.122 435 HD2 PRO 53 2HD PRO 53 10.404 3.254 6.947 436 HD3 PRO 53 3HD PRO 53 9.648 4.793 7.409 437 H LEU 54 H LEU 54 5.016 2.457 5.329 438 HA LEU 54 HA LEU 54 6.160 0.206 3.785 439 HB2 LEU 54 2HB LEU 54 4.797 -0.249 6.051 440 HB3 LEU 54 3HB LEU 54 3.404 0.051 5.031 441 HG LEU 54 HG LEU 54 4.362 -1.786 3.469 442 HD11 LEU 54 1HD1 LEU 54 5.842 -3.430 4.490 443 HD12 LEU 54 2HD1 LEU 54 5.998 -2.428 5.933 444 HD13 LEU 54 3HD1 LEU 54 6.624 -1.853 4.385 445 HD21 LEU 54 3HD2 LEU 54 3.324 -3.587 4.726 446 HD22 LEU 54 1HD2 LEU 54 2.367 -2.115 4.875 447 HD23 LEU 54 2HD2 LEU 54 3.394 -2.637 6.213 448 H VAL 55 H VAL 55 4.477 -0.545 2.130 449 HA VAL 55 HA VAL 55 2.665 1.493 1.085 450 HB VAL 55 HB VAL 55 4.971 0.388 -0.618 451 HG11 VAL 55 1HG1 VAL 55 2.624 2.106 -1.492 452 HG12 VAL 55 2HG1 VAL 55 2.867 0.403 -1.892 453 HG13 VAL 55 3HG1 VAL 55 3.987 1.619 -2.502 454 HG21 VAL 55 3HG2 VAL 55 5.630 2.738 -0.979 455 HG22 VAL 55 1HG2 VAL 55 5.670 2.335 0.739 456 HG23 VAL 55 2HG2 VAL 55 4.332 3.282 0.085 457 H VAL 56 H VAL 56 0.845 0.388 0.578 458 HA VAL 56 HA VAL 56 1.030 -2.485 -0.126 459 HB VAL 56 HB VAL 56 -1.083 -1.121 1.607 460 HG11 VAL 56 1HG1 VAL 56 -2.176 -3.343 1.773 461 HG12 VAL 56 2HG1 VAL 56 -1.061 -3.977 0.561 462 HG13 VAL 56 3HG1 VAL 56 -2.214 -2.713 0.125 463 HG21 VAL 56 3HG2 VAL 56 0.866 -3.375 2.232 464 HG22 VAL 56 1HG2 VAL 56 -0.343 -2.719 3.339 465 HG23 VAL 56 2HG2 VAL 56 1.000 -1.709 2.799 466 H PHE 57 H PHE 57 0.595 -2.706 -2.175 467 HA PHE 57 HA PHE 57 -1.142 -0.970 -3.731 468 HB2 PHE 57 2HB PHE 57 0.476 -3.466 -4.439 469 HB3 PHE 57 3HB PHE 57 -0.509 -2.586 -5.600 470 HD1 PHE 57 HD2 PHE 57 2.539 -2.370 -3.464 471 HD2 PHE 57 HD1 PHE 57 0.284 -0.558 -6.619 472 HE1 PHE 57 HE2 PHE 57 4.431 -0.874 -3.972 473 HE2 PHE 57 HE1 PHE 57 2.180 0.921 -7.111 474 HZ PHE 57 HZ PHE 57 4.250 0.772 -5.788 475 H VAL 58 H VAL 58 -3.282 -1.332 -3.715 476 HA VAL 58 HA VAL 58 -4.458 -3.798 -2.758 477 HB VAL 58 HB VAL 58 -5.812 -1.285 -3.848 478 HG11 VAL 58 1HG1 VAL 58 -7.846 -2.098 -2.716 479 HG12 VAL 58 2HG1 VAL 58 -7.001 -3.571 -2.236 480 HG13 VAL 58 3HG1 VAL 58 -7.299 -3.242 -3.944 481 HG21 VAL 58 3HG2 VAL 58 -4.453 -0.776 -1.862 482 HG22 VAL 58 1HG2 VAL 58 -5.256 -2.065 -0.961 483 HG23 VAL 58 2HG2 VAL 58 -6.174 -0.652 -1.488 484 H ASN 59 H ASN 59 -3.766 -5.259 -4.285 485 HA ASN 59 HA ASN 59 -4.590 -4.964 -7.108 486 HB2 ASN 59 2HB ASN 59 -2.178 -5.191 -6.837 487 HB3 ASN 59 3HB ASN 59 -2.373 -6.588 -5.791 488 HD21 ASN 59 1HD2 ASN 59 -4.177 -6.112 -8.825 489 HD22 ASN 59 2HD2 ASN 59 -3.417 -7.417 -9.656 490 H GLY 60 H GLY 60 -6.568 -5.873 -7.282 491 HA2 GLY 60 2HA GLY 60 -7.889 -7.791 -7.680 492 HA3 GLY 60 3HA GLY 60 -6.910 -8.709 -6.546 493 H ALA 61 H ALA 61 -6.942 -7.092 -4.304 494 HA ALA 61 HA ALA 61 -9.420 -7.594 -3.077 495 HB1 ALA 61 3HB ALA 61 -7.260 -5.634 -2.226 496 HB2 ALA 61 1HB ALA 61 -7.336 -7.343 -1.795 497 HB3 ALA 61 2HB ALA 61 -8.567 -6.229 -1.198 498 H SER 62 H SER 62 -11.107 -6.209 -2.460 499 HA SER 62 HA SER 62 -11.634 -3.969 -4.296 500 HB2 SER 62 2HB SER 62 -13.518 -5.530 -2.468 501 HB3 SER 62 3HB SER 62 -14.002 -4.331 -3.673 502 HG SER 62 HG SER 62 -12.402 -6.329 -4.670 503 H GLN 63 H GLN 63 -13.140 -2.236 -3.275 504 HA GLN 63 HA GLN 63 -11.871 -0.798 -1.220 505 HB2 GLN 63 2HB GLN 63 -13.317 0.254 -2.929 506 HB3 GLN 63 3HB GLN 63 -14.731 -0.554 -2.264 507 HG2 GLN 63 2HG GLN 63 -14.691 1.784 -1.582 508 HG3 GLN 63 3HG GLN 63 -14.493 0.742 -0.174 509 HE21 GLN 63 1HE2 GLN 63 -13.522 2.312 1.071 510 HE22 GLN 63 2HE2 GLN 63 -11.944 2.941 0.757 511 H ASN 64 H ASN 64 -14.244 -3.339 -1.094 512 HA ASN 64 HA ASN 64 -15.306 -3.093 1.491 513 HB2 ASN 64 2HB ASN 64 -14.567 -5.704 0.068 514 HB3 ASN 64 3HB ASN 64 -15.715 -5.530 1.393 515 HD21 ASN 64 1HD2 ASN 64 -17.406 -6.419 0.190 516 HD22 ASN 64 2HD2 ASN 64 -18.150 -5.607 -1.139 517 H ASP 65 H ASP 65 -12.379 -4.671 0.318 518 HA ASP 65 HA ASP 65 -11.403 -5.602 2.855 519 HB2 ASP 65 2HB ASP 65 -9.824 -5.232 0.261 520 HB3 ASP 65 3HB ASP 65 -9.399 -6.269 1.616 521 H VAL 66 H VAL 66 -10.915 -2.778 0.835 522 HA VAL 66 HA VAL 66 -8.638 -1.630 2.068 523 HB VAL 66 HB VAL 66 -10.900 -0.446 0.406 524 HG11 VAL 66 1HG1 VAL 66 -9.593 1.637 0.165 525 HG12 VAL 66 2HG1 VAL 66 -8.448 1.055 1.373 526 HG13 VAL 66 3HG1 VAL 66 -10.117 1.383 1.833 527 HG21 VAL 66 3HG2 VAL 66 -9.190 -0.294 -1.359 528 HG22 VAL 66 1HG2 VAL 66 -9.333 -1.952 -0.768 529 HG23 VAL 66 2HG2 VAL 66 -7.976 -0.946 -0.256 530 H ASN 67 H ASN 67 -12.125 -1.295 2.706 531 HA ASN 67 HA ASN 67 -11.964 0.722 4.687 532 HB2 ASN 67 2HB ASN 67 -14.080 -1.437 4.273 533 HB3 ASN 67 3HB ASN 67 -14.255 -0.083 5.387 534 HD21 ASN 67 1HD2 ASN 67 -15.794 -0.866 2.987 535 HD22 ASN 67 2HD2 ASN 67 -15.804 0.535 1.978 536 H GLU 68 H GLU 68 -11.713 -2.789 4.799 537 HA GLU 68 HA GLU 68 -11.666 -3.062 7.648 538 HB2 GLU 68 2HB GLU 68 -10.631 -4.978 5.509 539 HB3 GLU 68 3HB GLU 68 -10.943 -5.379 7.197 540 HG2 GLU 68 2HG GLU 68 -13.376 -4.790 6.811 541 HG3 GLU 68 3HG GLU 68 -12.988 -4.586 5.103 542 H PHE 69 H PHE 69 -9.201 -2.540 5.150 543 HA PHE 69 HA PHE 69 -6.872 -2.864 6.718 544 HB2 PHE 69 2HB PHE 69 -6.830 -2.615 4.221 545 HB3 PHE 69 3HB PHE 69 -7.311 -0.934 4.375 546 HD1 PHE 69 HD2 PHE 69 -5.672 0.759 5.255 547 HD2 PHE 69 HD1 PHE 69 -4.534 -3.319 4.624 548 HE1 PHE 69 HE2 PHE 69 -3.297 1.391 5.391 549 HE2 PHE 69 HE1 PHE 69 -2.167 -2.672 4.755 550 HZ PHE 69 HZ PHE 69 -1.553 -0.324 5.142 551 H GLN 70 H GLN 70 -8.708 0.037 5.873 552 HA GLN 70 HA GLN 70 -7.503 1.940 7.441 553 HB2 GLN 70 2HB GLN 70 -10.439 1.708 6.661 554 HB3 GLN 70 3HB GLN 70 -9.689 3.175 7.285 555 HG2 GLN 70 2HG GLN 70 -8.191 3.255 5.321 556 HG3 GLN 70 3HG GLN 70 -8.917 1.772 4.706 557 HE21 GLN 70 1HE2 GLN 70 -9.489 2.877 2.786 558 HE22 GLN 70 2HE2 GLN 70 -10.814 3.981 2.734 559 H ASN 71 H ASN 71 -10.063 -0.349 8.390 560 HA ASN 71 HA ASN 71 -10.511 0.742 10.996 561 HB2 ASN 71 2HB ASN 71 -11.231 -1.981 9.817 562 HB3 ASN 71 3HB ASN 71 -11.717 -1.468 11.434 563 HD21 ASN 71 1HD2 ASN 71 -13.390 -2.172 9.189 564 HD22 ASN 71 2HD2 ASN 71 -14.385 -0.796 8.868 565 H GLU 72 H GLU 72 -9.013 -2.418 10.115 566 HA GLU 72 HA GLU 72 -7.938 -3.087 12.532 567 HB2 GLU 72 2HB GLU 72 -6.706 -3.677 9.816 568 HB3 GLU 72 3HB GLU 72 -6.303 -4.517 11.305 569 HG2 GLU 72 2HG GLU 72 -9.037 -4.506 10.005 570 HG3 GLU 72 3HG GLU 72 -7.847 -5.784 9.824 571 H ALA 73 H ALA 73 -6.447 -0.875 10.169 572 HA ALA 73 HA ALA 73 -4.044 -0.446 11.574 573 HB1 ALA 73 3HB ALA 73 -4.356 0.145 9.218 574 HB2 ALA 73 1HB ALA 73 -3.816 1.540 10.150 575 HB3 ALA 73 2HB ALA 73 -5.512 1.402 9.671 576 H LYS 74 H LYS 74 -7.002 1.617 11.466 577 HA LYS 74 HA LYS 74 -6.014 3.643 13.130 578 HB2 LYS 74 2HB LYS 74 -8.216 4.597 13.165 579 HB3 LYS 74 3HB LYS 74 -7.999 3.862 11.583 580 HG2 LYS 74 2HG LYS 74 -9.405 1.960 12.231 581 HG3 LYS 74 3HG LYS 74 -9.546 2.597 13.869 582 HD2 LYS 74 2HD LYS 74 -11.590 3.105 12.684 583 HD3 LYS 74 3HD LYS 74 -10.719 4.614 12.944 584 HE2 LYS 74 2HE LYS 74 -9.895 4.473 10.577 585 HE3 LYS 74 3HE LYS 74 -10.888 3.030 10.357 586 HZ1 LYS 74 3HZ LYS 74 -12.093 4.895 9.532 587 HZ2 LYS 74 1HZ LYS 74 -11.848 5.784 10.949 588 HZ3 LYS 74 2HZ LYS 74 -12.843 4.421 10.967 589 H LYS 75 H LYS 75 -7.655 0.644 14.042 590 HA LYS 75 HA LYS 75 -8.369 1.473 16.711 591 HB2 LYS 75 2HB LYS 75 -9.010 -0.917 17.028 592 HB3 LYS 75 3HB LYS 75 -9.716 -0.213 15.577 593 HG2 LYS 75 2HG LYS 75 -8.041 -1.327 14.182 594 HG3 LYS 75 3HG LYS 75 -7.258 -1.989 15.614 595 HD2 LYS 75 2HD LYS 75 -10.105 -2.631 14.743 596 HD3 LYS 75 3HD LYS 75 -8.696 -3.644 14.422 597 HE2 LYS 75 2HE LYS 75 -8.340 -3.766 16.935 598 HE3 LYS 75 3HE LYS 75 -9.910 -2.981 17.123 599 HZ1 LYS 75 3HZ LYS 75 -10.100 -5.380 17.291 600 HZ2 LYS 75 1HZ LYS 75 -9.413 -5.575 15.757 601 HZ3 LYS 75 2HZ LYS 75 -10.919 -4.830 15.919 602 H GLU 76 H GLU 76 -5.597 -0.081 15.237 603 HA GLU 76 HA GLU 76 -4.387 -0.838 17.792 604 HB2 GLU 76 2HB GLU 76 -3.250 -1.061 14.973 605 HB3 GLU 76 3HB GLU 76 -2.599 -1.817 16.423 606 HG2 GLU 76 2HG GLU 76 -5.228 -2.461 15.072 607 HG3 GLU 76 3HG GLU 76 -3.775 -3.454 15.077 608 H GLY 77 H GLY 77 -4.570 1.977 15.985 609 HA2 GLY 77 2HA GLY 77 -3.449 3.980 16.139 610 HA3 GLY 77 3HA GLY 77 -2.316 3.249 17.259 611 H VAL 78 H VAL 78 -2.776 1.688 14.200 612 HA VAL 78 HA VAL 78 -0.154 2.552 13.220 613 HB VAL 78 HB VAL 78 -2.152 0.620 11.933 614 HG11 VAL 78 1HG1 VAL 78 0.785 1.080 11.273 615 HG12 VAL 78 2HG1 VAL 78 -0.588 1.588 10.287 616 HG13 VAL 78 3HG1 VAL 78 -0.267 -0.130 10.528 617 HG21 VAL 78 3HG2 VAL 78 -1.383 -0.256 14.104 618 HG22 VAL 78 1HG2 VAL 78 0.300 -0.044 13.609 619 HG23 VAL 78 2HG2 VAL 78 -0.728 -1.212 12.772 620 H SER 79 H SER 79 0.095 4.130 11.736 621 HA SER 79 HA SER 79 -2.185 5.625 10.759 622 HB2 SER 79 2HB SER 79 0.789 6.097 10.286 623 HB3 SER 79 3HB SER 79 -0.518 7.256 10.019 624 HG SER 79 HG SER 79 -0.921 6.704 12.427 625 H TYR 80 H TYR 80 -2.656 5.988 8.585 626 HA TYR 80 HA TYR 80 -1.346 4.454 6.467 627 HB2 TYR 80 2HB TYR 80 -3.480 3.439 5.711 628 HB3 TYR 80 3HB TYR 80 -3.080 2.898 7.335 629 HD1 TYR 80 HD1 TYR 80 -4.369 3.840 9.316 630 HD2 TYR 80 HD2 TYR 80 -5.525 4.659 5.280 631 HE1 TYR 80 HE1 TYR 80 -6.584 4.567 10.096 632 HE2 TYR 80 HE2 TYR 80 -7.733 5.389 6.067 633 HH TYR 80 HH TYR 80 -9.215 5.056 8.003 634 H ASP 81 H ASP 81 -1.476 5.525 4.498 635 HA ASP 81 HA ASP 81 -3.146 7.970 4.325 636 HB2 ASP 81 2HB ASP 81 -0.644 8.372 4.427 637 HB3 ASP 81 3HB ASP 81 -0.467 7.451 2.935 638 H VAL 82 H VAL 82 -4.685 7.868 2.790 639 HA VAL 82 HA VAL 82 -4.798 5.571 0.996 640 HB VAL 82 HB VAL 82 -6.849 7.774 1.562 641 HG11 VAL 82 1HG1 VAL 82 -7.208 6.831 -0.680 642 HG12 VAL 82 2HG1 VAL 82 -8.496 6.328 0.416 643 HG13 VAL 82 3HG1 VAL 82 -7.208 5.198 -0.011 644 HG21 VAL 82 3HG2 VAL 82 -8.048 6.050 2.880 645 HG22 VAL 82 1HG2 VAL 82 -6.435 6.351 3.535 646 HG23 VAL 82 2HG2 VAL 82 -6.743 4.902 2.575 647 H LEU 83 H LEU 83 -3.585 5.815 -0.776 648 HA LEU 83 HA LEU 83 -3.640 8.283 -2.400 649 HB2 LEU 83 2HB LEU 83 -1.408 7.410 -1.875 650 HB3 LEU 83 3HB LEU 83 -1.856 5.807 -2.429 651 HG LEU 83 HG LEU 83 -2.027 6.697 -4.777 652 HD11 LEU 83 1HD1 LEU 83 -1.084 8.868 -5.363 653 HD12 LEU 83 2HD1 LEU 83 -0.876 9.258 -3.655 654 HD13 LEU 83 3HD1 LEU 83 -2.496 9.043 -4.321 655 HD21 LEU 83 3HD2 LEU 83 0.664 7.062 -3.427 656 HD22 LEU 83 1HD2 LEU 83 0.408 6.901 -5.169 657 HD23 LEU 83 2HD2 LEU 83 0.000 5.569 -4.094 658 H LYS 84 H LYS 84 -5.409 8.216 -3.754 659 HA LYS 84 HA LYS 84 -5.991 5.707 -5.232 660 HB2 LYS 84 2HB LYS 84 -7.877 7.947 -4.408 661 HB3 LYS 84 3HB LYS 84 -8.299 6.756 -5.634 662 HG2 LYS 84 2HG LYS 84 -7.865 4.963 -3.886 663 HG3 LYS 84 3HG LYS 84 -7.765 6.264 -2.694 664 HD2 LYS 84 2HD LYS 84 -10.070 6.912 -3.121 665 HD3 LYS 84 3HD LYS 84 -10.176 5.809 -4.495 666 HE2 LYS 84 2HE LYS 84 -9.876 3.892 -2.932 667 HE3 LYS 84 3HE LYS 84 -9.879 5.026 -1.579 668 HZ1 LYS 84 3HZ LYS 84 -12.126 5.697 -2.223 669 HZ2 LYS 84 1HZ LYS 84 -12.046 4.041 -1.883 670 HZ3 LYS 84 2HZ LYS 84 -12.117 4.572 -3.486 671 H SER 85 H SER 85 -4.797 5.913 -7.015 672 HA SER 85 HA SER 85 -5.703 7.753 -9.032 673 HB2 SER 85 2HB SER 85 -3.295 8.547 -9.574 674 HB3 SER 85 3HB SER 85 -4.115 9.296 -8.208 675 HG SER 85 HG SER 85 -1.806 8.402 -8.055 676 H THR 86 H THR 86 -5.057 7.279 -11.092 677 HA THR 86 HA THR 86 -3.836 4.627 -11.568 678 HB THR 86 HB THR 86 -5.914 6.033 -13.311 679 HG1 THR 86 HG1 THR 86 -7.440 5.101 -12.166 680 HG21 THR 86 3HG2 THR 86 -6.207 3.827 -14.342 681 HG22 THR 86 1HG2 THR 86 -4.966 3.158 -13.278 682 HG23 THR 86 2HG2 THR 86 -4.532 4.371 -14.488 683 H ASP 87 H ASP 87 -1.726 5.332 -11.932 684 HA ASP 87 HA ASP 87 -1.042 6.627 -14.378 685 HB2 ASP 87 2HB ASP 87 -1.777 8.599 -12.860 686 HB3 ASP 87 3HB ASP 87 -0.366 8.245 -11.870 687 HA PRO 88 HA PRO 88 2.003 3.607 -13.016 688 HB2 PRO 88 2HB PRO 88 3.641 3.540 -15.219 689 HB3 PRO 88 3HB PRO 88 2.006 2.850 -15.214 690 HG2 PRO 88 2HG PRO 88 2.903 5.527 -16.247 691 HG3 PRO 88 3HG PRO 88 1.837 4.327 -17.017 692 HD2 PRO 88 2HD PRO 88 0.833 6.491 -15.728 693 HD3 PRO 88 3HD PRO 88 -0.010 4.924 -15.716 694 H GLU 89 H GLU 89 3.055 6.804 -14.055 695 HA GLU 89 HA GLU 89 5.707 6.462 -12.840 696 HB2 GLU 89 2HB GLU 89 6.169 8.765 -13.781 697 HB3 GLU 89 3HB GLU 89 5.857 7.500 -14.963 698 HG2 GLU 89 2HG GLU 89 3.527 8.339 -15.199 699 HG3 GLU 89 3HG GLU 89 3.912 9.649 -14.090 700 H GLU 90 H GLU 90 2.650 8.160 -12.229 701 HA GLU 90 HA GLU 90 3.673 9.847 -10.145 702 HB2 GLU 90 2HB GLU 90 1.561 10.389 -11.356 703 HB3 GLU 90 3HB GLU 90 0.782 9.004 -10.596 704 HG2 GLU 90 2HG GLU 90 1.273 10.071 -8.341 705 HG3 GLU 90 3HG GLU 90 1.853 11.488 -9.208 706 H LEU 91 H LEU 91 2.023 6.703 -10.182 707 HA LEU 91 HA LEU 91 1.806 6.433 -7.369 708 HB2 LEU 91 2HB LEU 91 1.972 4.265 -9.495 709 HB3 LEU 91 3HB LEU 91 1.637 3.949 -7.801 710 HG LEU 91 HG LEU 91 -0.141 5.507 -9.726 711 HD11 LEU 91 1HD1 LEU 91 -0.213 3.075 -10.062 712 HD12 LEU 91 2HD1 LEU 91 -1.737 3.670 -9.408 713 HD13 LEU 91 3HD1 LEU 91 -0.590 2.832 -8.355 714 HD21 LEU 91 3HD2 LEU 91 -1.765 5.642 -7.872 715 HD22 LEU 91 1HD2 LEU 91 -0.283 6.528 -7.518 716 HD23 LEU 91 2HD2 LEU 91 -0.566 4.955 -6.772 717 H THR 92 H THR 92 4.425 5.668 -9.651 718 HA THR 92 HA THR 92 6.183 4.356 -7.868 719 HB THR 92 HB THR 92 6.864 5.979 -10.360 720 HG1 THR 92 HG1 THR 92 5.360 3.987 -10.376 721 HG21 THR 92 3HG2 THR 92 8.894 4.556 -10.495 722 HG22 THR 92 1HG2 THR 92 8.469 3.801 -8.959 723 HG23 THR 92 2HG2 THR 92 8.894 5.515 -9.013 724 H GLN 93 H GLN 93 5.865 7.838 -8.749 725 HA GLN 93 HA GLN 93 8.148 8.677 -7.270 726 HB2 GLN 93 2HB GLN 93 7.469 10.960 -7.653 727 HB3 GLN 93 3HB GLN 93 7.194 10.037 -9.122 728 HG2 GLN 93 2HG GLN 93 4.799 9.979 -8.670 729 HG3 GLN 93 3HG GLN 93 5.037 10.826 -7.147 730 HE21 GLN 93 1HE2 GLN 93 5.071 11.148 -10.650 731 HE22 GLN 93 2HE2 GLN 93 4.965 12.871 -10.669 732 H ARG 94 H ARG 94 4.760 8.232 -6.422 733 HA ARG 94 HA ARG 94 4.885 9.634 -3.923 734 HB2 ARG 94 2HB ARG 94 2.839 7.643 -4.988 735 HB3 ARG 94 3HB ARG 94 2.653 8.549 -3.493 736 HG2 ARG 94 2HG ARG 94 2.760 9.689 -6.301 737 HG3 ARG 94 3HG ARG 94 1.355 9.609 -5.241 738 HD2 ARG 94 2HD ARG 94 2.361 11.223 -3.715 739 HD3 ARG 94 3HD ARG 94 3.860 11.227 -4.653 740 HE ARG 94 HE ARG 94 1.444 12.002 -6.083 741 HH11 ARG 94 1HH1 ARG 94 4.315 13.155 -4.368 742 HH12 ARG 94 2HH1 ARG 94 4.214 14.745 -5.065 743 HH21 ARG 94 1HH2 ARG 94 1.326 14.101 -6.932 744 HH22 ARG 94 2HH2 ARG 94 2.534 15.273 -6.505 745 H VAL 95 H VAL 95 5.120 6.218 -4.898 746 HA VAL 95 HA VAL 95 5.332 5.014 -2.367 747 HB VAL 95 HB VAL 95 6.449 4.188 -5.087 748 HG11 VAL 95 1HG1 VAL 95 6.818 1.909 -4.190 749 HG12 VAL 95 2HG1 VAL 95 6.428 2.481 -2.568 750 HG13 VAL 95 3HG1 VAL 95 7.859 3.094 -3.395 751 HG21 VAL 95 3HG2 VAL 95 3.998 4.217 -4.924 752 HG22 VAL 95 1HG2 VAL 95 4.059 3.170 -3.510 753 HG23 VAL 95 2HG2 VAL 95 4.585 2.563 -5.082 754 H ARG 96 H ARG 96 7.897 6.225 -4.566 755 HA ARG 96 HA ARG 96 10.041 5.353 -2.900 756 HB2 ARG 96 2HB ARG 96 11.533 6.394 -4.499 757 HB3 ARG 96 3HB ARG 96 10.251 5.565 -5.369 758 HG2 ARG 96 2HG ARG 96 9.108 7.778 -5.669 759 HG3 ARG 96 3HG ARG 96 10.510 8.553 -4.937 760 HD2 ARG 96 2HD ARG 96 10.554 6.880 -7.472 761 HD3 ARG 96 3HD ARG 96 10.541 8.642 -7.413 762 HE ARG 96 HE ARG 96 12.738 7.257 -6.059 763 HH11 ARG 96 1HH1 ARG 96 11.714 9.108 -8.896 764 HH12 ARG 96 2HH1 ARG 96 13.337 9.487 -9.380 765 HH21 ARG 96 1HH2 ARG 96 14.852 7.759 -6.706 766 HH22 ARG 96 2HH2 ARG 96 15.128 8.715 -8.127 767 H GLU 97 H GLU 97 8.394 8.499 -3.299 768 HA GLU 97 HA GLU 97 10.249 9.965 -1.679 769 HB2 GLU 97 2HB GLU 97 8.782 11.841 -1.818 770 HB3 GLU 97 3HB GLU 97 8.688 11.029 -3.374 771 HG2 GLU 97 2HG GLU 97 6.530 9.987 -2.666 772 HG3 GLU 97 3HG GLU 97 6.621 10.886 -1.153 773 H PHE 98 H PHE 98 7.231 8.185 -1.007 774 HA PHE 98 HA PHE 98 6.833 9.100 1.651 775 HB2 PHE 98 2HB PHE 98 5.044 8.039 0.322 776 HB3 PHE 98 3HB PHE 98 5.933 6.523 0.283 777 HD1 PHE 98 HD1 PHE 98 3.996 8.833 2.453 778 HD2 PHE 98 HD2 PHE 98 5.857 4.986 2.181 779 HE1 PHE 98 HE1 PHE 98 2.858 8.124 4.516 780 HE2 PHE 98 HE2 PHE 98 4.714 4.297 4.247 781 HZ PHE 98 HZ PHE 98 3.218 5.858 5.405 782 H LEU 99 H LEU 99 8.459 6.253 0.268 783 HA LEU 99 HA LEU 99 9.268 5.114 2.742 784 HB2 LEU 99 2HB LEU 99 10.382 4.735 -0.064 785 HB3 LEU 99 3HB LEU 99 10.839 3.750 1.319 786 HG LEU 99 HG LEU 99 8.023 3.919 0.157 787 HD11 LEU 99 1HD1 LEU 99 8.378 1.625 -0.642 788 HD12 LEU 99 2HD1 LEU 99 10.058 1.689 -0.100 789 HD13 LEU 99 3HD1 LEU 99 9.502 2.761 -1.388 790 HD21 LEU 99 3HD2 LEU 99 9.106 2.134 2.354 791 HD22 LEU 99 1HD2 LEU 99 7.499 2.015 1.630 792 HD23 LEU 99 2HD2 LEU 99 7.948 3.454 2.540 793 H LYS 100 H LYS 100 10.474 7.768 0.898 794 HA LYS 100 HA LYS 100 13.126 7.766 2.114 795 HB2 LYS 100 2HB LYS 100 12.785 8.457 -0.252 796 HB3 LYS 100 3HB LYS 100 11.811 9.819 0.290 797 HG2 LYS 100 2HG LYS 100 13.760 10.807 1.410 798 HG3 LYS 100 3HG LYS 100 14.746 9.404 0.992 799 HD2 LYS 100 2HD LYS 100 13.508 11.371 -0.980 800 HD3 LYS 100 3HD LYS 100 15.213 11.290 -0.531 801 HE2 LYS 100 2HE LYS 100 15.320 8.985 -1.478 802 HE3 LYS 100 3HE LYS 100 13.635 9.131 -1.979 803 HZ1 LYS 100 3HZ LYS 100 15.876 10.833 -2.926 804 HZ2 LYS 100 1HZ LYS 100 14.268 10.972 -3.415 805 HZ3 LYS 100 2HZ LYS 100 15.152 9.584 -3.800 806 H THR 101 H THR 101 9.982 9.426 2.568 807 HA THR 101 HA THR 101 11.265 11.490 4.240 808 HB THR 101 HB THR 101 9.758 12.289 2.409 809 HG1 THR 101 HG1 THR 101 8.889 12.895 5.069 810 HG21 THR 101 3HG2 THR 101 7.502 11.102 4.074 811 HG22 THR 101 1HG2 THR 101 7.994 10.548 2.471 812 HG23 THR 101 2HG2 THR 101 7.307 12.159 2.675 813 H ALA 102 H ALA 102 8.962 8.850 4.426 814 HA ALA 102 HA ALA 102 8.376 9.369 7.248 815 HB1 ALA 102 3HB ALA 102 6.553 8.590 5.844 816 HB2 ALA 102 1HB ALA 102 6.927 7.349 7.041 817 HB3 ALA 102 2HB ALA 102 7.470 7.165 5.372 818 H GLY 103 H GLY 103 11.107 8.285 5.904 819 HA2 GLY 103 2HA GLY 103 11.756 6.462 8.112 820 HA3 GLY 103 3HA GLY 103 11.847 5.792 6.491 821 H SER 104 H SER 104 13.110 7.525 4.939 822 HA SER 104 HA SER 104 15.811 7.168 5.960 823 HB2 SER 104 2HB SER 104 14.819 7.951 3.188 824 HB3 SER 104 3HB SER 104 16.470 7.468 3.589 825 HG SER 104 HG SER 104 15.754 5.419 4.032 826 H LEU 105 H LEU 105 14.143 9.603 6.839 827 HA LEU 105 HA LEU 105 15.077 11.944 5.625 828 HB2 LEU 105 2HB LEU 105 13.994 11.446 8.415 829 HB3 LEU 105 3HB LEU 105 14.501 13.050 7.915 830 HG LEU 105 HG LEU 105 12.224 11.419 6.740 831 HD11 LEU 105 1HD1 LEU 105 10.810 13.261 7.565 832 HD12 LEU 105 2HD1 LEU 105 12.228 14.045 8.269 833 HD13 LEU 105 3HD1 LEU 105 11.687 12.481 8.880 834 HD21 LEU 105 3HD2 LEU 105 11.789 13.361 5.270 835 HD22 LEU 105 1HD2 LEU 105 13.336 12.586 4.920 836 HD23 LEU 105 2HD2 LEU 105 13.295 14.106 5.818 837 H GLU 106 H GLU 106 16.745 13.271 5.907 838 HA GLU 106 HA GLU 106 19.015 12.681 7.630 839 HB2 GLU 106 2HB GLU 106 18.386 15.054 5.807 840 HB3 GLU 106 3HB GLU 106 19.920 14.818 6.644 841 HG2 GLU 106 2HG GLU 106 20.390 12.808 5.345 842 HG3 GLU 106 3HG GLU 106 18.789 12.855 4.614 843 H HIS 107 H HIS 107 19.816 14.632 9.034 844 HA HIS 107 HA HIS 107 19.606 15.698 11.036 845 HB2 HIS 107 2HB HIS 107 16.795 16.472 10.134 846 HB3 HIS 107 3HB HIS 107 17.659 17.179 11.492 847 HD1 HIS 107 HD1 HIS 107 19.379 19.004 10.975 848 HD2 HIS 107 HD2 HIS 107 17.709 17.307 7.572 849 HE1 HIS 107 HE1 HIS 107 20.058 20.488 9.071 850 HE2 HIS 107 HE2 HIS 107 19.222 19.314 7.021 851 H HIS 108 H HIS 108 18.583 12.908 10.488 852 HA HIS 108 HA HIS 108 16.952 12.461 12.930 853 HB2 HIS 108 2HB HIS 108 15.919 11.747 10.736 854 HB3 HIS 108 3HB HIS 108 17.275 10.660 10.482 855 HD1 HIS 108 HD1 HIS 108 14.169 11.092 12.553 856 HD2 HIS 108 HD2 HIS 108 17.109 8.229 11.878 857 HE1 HIS 108 HE1 HIS 108 13.330 8.983 13.635 858 HE2 HIS 108 HE2 HIS 108 15.128 7.276 13.226 859 H HIS 109 H HIS 109 17.698 10.821 14.377 860 HA HIS 109 HA HIS 109 20.429 10.367 14.704 861 HB2 HIS 109 2HB HIS 109 18.849 10.048 16.550 862 HB3 HIS 109 3HB HIS 109 18.052 8.730 15.697 863 HD1 HIS 109 HD1 HIS 109 19.342 6.446 15.570 864 HD2 HIS 109 HD2 HIS 109 21.161 9.325 17.958 865 HE1 HIS 109 HE1 HIS 109 21.085 5.224 16.896 866 HE2 HIS 109 HE2 HIS 109 22.144 6.975 18.347 867 H HIS 110 H HIS 110 21.793 9.234 13.431 868 HA HIS 110 HA HIS 110 20.922 7.846 11.143 869 HB2 HIS 110 2HB HIS 110 23.340 7.358 10.732 870 HB3 HIS 110 3HB HIS 110 23.019 9.045 11.087 871 HD1 HIS 110 HD1 HIS 110 24.576 10.088 12.728 872 HD2 HIS 110 HD2 HIS 110 24.483 5.947 13.131 873 HE1 HIS 110 HE1 HIS 110 26.351 9.525 14.406 874 HE2 HIS 110 HE2 HIS 110 26.239 7.035 14.681 875 H HIS 111 H HIS 111 21.124 5.709 10.501 876 HA HIS 111 HA HIS 111 20.082 3.887 12.407 877 HB2 HIS 111 2HB HIS 111 19.877 2.320 10.540 878 HB3 HIS 111 3HB HIS 111 19.400 3.925 10.005 879 HD1 HIS 111 HD1 HIS 111 22.439 1.618 9.821 880 HD2 HIS 111 HD2 HIS 111 20.652 4.722 7.706 881 HE1 HIS 111 HE1 HIS 111 23.776 1.866 7.719 882 HE2 HIS 111 HE2 HIS 111 22.784 3.852 6.547 883 H HIS 112 H HIS 112 20.879 1.779 12.957 884 HA HIS 112 HA HIS 112 23.802 1.567 13.227 885 HB2 HIS 112 2HB HIS 112 21.583 -0.125 14.481 886 HB3 HIS 112 3HB HIS 112 23.305 -0.264 14.829 887 HD1 HIS 112 HD1 HIS 112 20.323 1.292 16.073 888 HD2 HIS 112 HD2 HIS 112 24.343 2.329 15.978 889 HE1 HIS 112 HE1 HIS 112 20.605 3.055 17.833 890 HE2 HIS 112 HE2 HIS 112 23.002 3.780 17.633 Start of MODEL 12 1 H1 MET 1 1H MET 1 0.807 4.430 14.587 2 H2 MET 1 2H MET 1 2.244 5.315 14.488 3 H3 MET 1 3H MET 1 1.521 5.049 15.991 4 HA MET 1 HA MET 1 3.413 3.642 15.728 5 HB2 MET 1 2HB MET 1 1.379 2.864 16.997 6 HB3 MET 1 3HB MET 1 0.810 2.058 15.542 7 HG2 MET 1 2HG MET 1 2.633 0.490 15.616 8 HG3 MET 1 3HG MET 1 3.430 1.396 16.906 9 HE1 MET 1 3HE MET 1 3.189 -1.615 17.429 10 HE2 MET 1 1HE MET 1 2.449 -1.671 19.028 11 HE3 MET 1 2HE MET 1 3.691 -0.470 18.675 12 H GLY 2 H GLY 2 4.391 4.097 13.717 13 HA2 GLY 2 2HA GLY 2 5.199 3.597 11.624 14 HA3 GLY 2 3HA GLY 2 4.211 2.142 11.613 15 H LYS 3 H LYS 3 4.524 3.741 9.314 16 HA LYS 3 HA LYS 3 1.723 4.500 8.874 17 HB2 LYS 3 2HB LYS 3 2.878 6.634 9.310 18 HB3 LYS 3 3HB LYS 3 4.044 6.291 8.035 19 HG2 LYS 3 2HG LYS 3 2.353 6.495 6.320 20 HG3 LYS 3 3HG LYS 3 1.055 6.518 7.512 21 HD2 LYS 3 2HD LYS 3 3.173 8.689 7.250 22 HD3 LYS 3 3HD LYS 3 1.576 8.765 6.499 23 HE2 LYS 3 2HE LYS 3 0.525 8.651 8.745 24 HE3 LYS 3 3HE LYS 3 2.126 8.595 9.486 25 HZ1 LYS 3 3HZ LYS 3 1.141 10.817 9.509 26 HZ2 LYS 3 1HZ LYS 3 1.111 10.831 7.820 27 HZ3 LYS 3 2HZ LYS 3 2.587 10.777 8.632 28 H VAL 4 H VAL 4 0.930 3.664 7.110 29 HA VAL 4 HA VAL 4 2.673 2.406 5.077 30 HB VAL 4 HB VAL 4 -0.287 1.880 5.663 31 HG11 VAL 4 1HG1 VAL 4 0.337 1.353 3.344 32 HG12 VAL 4 2HG1 VAL 4 -0.003 -0.125 4.247 33 HG13 VAL 4 3HG1 VAL 4 1.668 0.342 3.918 34 HG21 VAL 4 3HG2 VAL 4 2.115 0.205 6.494 35 HG22 VAL 4 1HG2 VAL 4 0.419 -0.233 6.729 36 HG23 VAL 4 2HG2 VAL 4 1.097 1.157 7.578 37 H LEU 5 H LEU 5 2.310 2.909 2.890 38 HA LEU 5 HA LEU 5 0.410 5.050 2.213 39 HB2 LEU 5 2HB LEU 5 2.826 5.304 1.534 40 HB3 LEU 5 3HB LEU 5 2.665 3.863 0.543 41 HG LEU 5 HG LEU 5 0.900 5.055 -0.823 42 HD11 LEU 5 1HD1 LEU 5 0.143 6.669 0.853 43 HD12 LEU 5 2HD1 LEU 5 0.650 7.480 -0.627 44 HD13 LEU 5 3HD1 LEU 5 1.705 7.494 0.790 45 HD21 LEU 5 3HD2 LEU 5 3.217 4.948 -1.603 46 HD22 LEU 5 1HD2 LEU 5 3.598 6.435 -0.728 47 HD23 LEU 5 2HD2 LEU 5 2.458 6.466 -2.077 48 H LEU 6 H LEU 6 -1.533 4.183 1.689 49 HA LEU 6 HA LEU 6 -1.805 1.496 0.619 50 HB2 LEU 6 2HB LEU 6 -3.286 2.259 2.463 51 HB3 LEU 6 3HB LEU 6 -3.878 3.570 1.456 52 HG LEU 6 HG LEU 6 -4.877 1.865 -0.113 53 HD11 LEU 6 1HD1 LEU 6 -3.420 -0.024 0.320 54 HD12 LEU 6 2HD1 LEU 6 -5.096 -0.473 0.617 55 HD13 LEU 6 3HD1 LEU 6 -4.017 -0.152 1.977 56 HD21 LEU 6 3HD2 LEU 6 -5.829 1.685 2.764 57 HD22 LEU 6 1HD2 LEU 6 -6.770 1.244 1.334 58 HD23 LEU 6 2HD2 LEU 6 -6.280 2.917 1.581 59 H VAL 7 H VAL 7 -1.267 1.507 -1.521 60 HA VAL 7 HA VAL 7 -2.062 3.652 -3.320 61 HB VAL 7 HB VAL 7 -0.521 1.072 -3.885 62 HG11 VAL 7 1HG1 VAL 7 -0.921 3.495 -5.689 63 HG12 VAL 7 2HG1 VAL 7 -1.624 1.893 -5.933 64 HG13 VAL 7 3HG1 VAL 7 0.123 2.112 -6.040 65 HG21 VAL 7 3HG2 VAL 7 1.497 2.503 -3.950 66 HG22 VAL 7 1HG2 VAL 7 0.717 2.566 -2.367 67 HG23 VAL 7 2HG2 VAL 7 0.524 3.905 -3.502 68 H ILE 8 H ILE 8 -4.151 3.581 -3.713 69 HA ILE 8 HA ILE 8 -5.538 1.140 -4.609 70 HB ILE 8 HB ILE 8 -6.703 3.888 -3.922 71 HG12 ILE 8 2HG1 ILE 8 -6.657 1.369 -2.196 72 HG13 ILE 8 3HG1 ILE 8 -5.723 2.832 -1.904 73 HG21 ILE 8 1HG2 ILE 8 -8.143 1.246 -4.373 74 HG22 ILE 8 2HG2 ILE 8 -8.116 2.611 -5.490 75 HG23 ILE 8 3HG2 ILE 8 -8.901 2.777 -3.919 76 HD11 ILE 8 3HD1 ILE 8 -7.828 4.074 -1.579 77 HD12 ILE 8 1HD1 ILE 8 -7.618 2.751 -0.435 78 HD13 ILE 8 2HD1 ILE 8 -8.728 2.569 -1.792 79 H SER 9 H SER 9 -6.267 1.018 -6.699 80 HA SER 9 HA SER 9 -6.626 3.310 -8.398 81 HB2 SER 9 2HB SER 9 -4.192 2.904 -8.715 82 HB3 SER 9 3HB SER 9 -4.518 1.227 -9.135 83 HG SER 9 HG SER 9 -4.834 3.535 -10.615 84 H THR 10 H THR 10 -8.206 2.889 -9.863 85 HA THR 10 HA THR 10 -9.812 0.562 -9.605 86 HB THR 10 HB THR 10 -11.120 1.584 -11.526 87 HG1 THR 10 HG1 THR 10 -9.301 2.595 -12.563 88 HG21 THR 10 3HG2 THR 10 -10.422 3.531 -9.287 89 HG22 THR 10 1HG2 THR 10 -11.640 2.251 -9.188 90 HG23 THR 10 2HG2 THR 10 -11.859 3.597 -10.305 91 H ASP 11 H ASP 11 -7.086 1.242 -11.499 92 HA ASP 11 HA ASP 11 -7.531 -1.065 -13.311 93 HB2 ASP 11 2HB ASP 11 -5.808 1.429 -13.726 94 HB3 ASP 11 3HB ASP 11 -5.850 0.045 -14.819 95 H THR 12 H THR 12 -6.740 -2.649 -12.040 96 HA THR 12 HA THR 12 -4.581 -2.463 -10.232 97 HB THR 12 HB THR 12 -5.766 -5.018 -11.413 98 HG1 THR 12 HG1 THR 12 -7.531 -4.306 -10.497 99 HG21 THR 12 3HG2 THR 12 -3.746 -5.409 -10.039 100 HG22 THR 12 1HG2 THR 12 -5.186 -5.993 -9.200 101 HG23 THR 12 2HG2 THR 12 -4.446 -4.462 -8.725 102 H ASN 13 H ASN 13 -4.626 -3.034 -13.656 103 HA ASN 13 HA ASN 13 -2.106 -4.310 -13.996 104 HB2 ASN 13 2HB ASN 13 -3.720 -2.545 -15.894 105 HB3 ASN 13 3HB ASN 13 -2.246 -3.386 -16.369 106 HD21 ASN 13 1HD2 ASN 13 -4.954 -3.684 -17.424 107 HD22 ASN 13 2HD2 ASN 13 -5.364 -5.352 -17.224 108 H ILE 14 H ILE 14 -3.079 -0.913 -13.629 109 HA ILE 14 HA ILE 14 -0.545 0.280 -14.137 110 HB ILE 14 HB ILE 14 -2.765 1.275 -12.283 111 HG12 ILE 14 2HG1 ILE 14 -3.646 0.962 -14.561 112 HG13 ILE 14 3HG1 ILE 14 -3.526 2.678 -14.200 113 HG21 ILE 14 1HG2 ILE 14 -0.460 2.814 -13.531 114 HG22 ILE 14 2HG2 ILE 14 -0.655 2.420 -11.822 115 HG23 ILE 14 3HG2 ILE 14 -1.784 3.528 -12.601 116 HD11 ILE 14 3HD1 ILE 14 -1.486 2.808 -15.562 117 HD12 ILE 14 1HD1 ILE 14 -2.872 2.210 -16.472 118 HD13 ILE 14 2HD1 ILE 14 -1.631 1.084 -15.927 119 H ILE 15 H ILE 15 -2.169 -0.917 -11.231 120 HA ILE 15 HA ILE 15 -0.273 -0.328 -9.241 121 HB ILE 15 HB ILE 15 -2.417 -2.484 -9.457 122 HG12 ILE 15 2HG1 ILE 15 -2.291 0.113 -7.862 123 HG13 ILE 15 3HG1 ILE 15 -3.236 -0.167 -9.318 124 HG21 ILE 15 1HG2 ILE 15 -2.199 -2.952 -7.049 125 HG22 ILE 15 2HG2 ILE 15 -0.777 -1.910 -6.976 126 HG23 ILE 15 3HG2 ILE 15 -0.737 -3.392 -7.931 127 HD11 ILE 15 3HD1 ILE 15 -4.662 -0.205 -7.392 128 HD12 ILE 15 1HD1 ILE 15 -3.673 -1.445 -6.618 129 HD13 ILE 15 2HD1 ILE 15 -4.587 -1.826 -8.081 130 H SER 16 H SER 16 -0.567 -3.103 -11.424 131 HA SER 16 HA SER 16 1.390 -4.819 -10.368 132 HB2 SER 16 2HB SER 16 0.525 -4.496 -13.277 133 HB3 SER 16 3HB SER 16 1.327 -5.913 -12.576 134 HG SER 16 HG SER 16 -0.549 -5.937 -11.099 135 H SER 17 H SER 17 1.598 -2.350 -12.924 136 HA SER 17 HA SER 17 4.302 -2.687 -13.630 137 HB2 SER 17 2HB SER 17 2.643 -0.137 -13.834 138 HB3 SER 17 3HB SER 17 4.081 -0.537 -14.780 139 HG SER 17 HG SER 17 1.935 -2.334 -14.815 140 H VAL 18 H VAL 18 2.757 -0.468 -11.333 141 HA VAL 18 HA VAL 18 5.027 1.036 -10.549 142 HB VAL 18 HB VAL 18 2.498 0.463 -8.933 143 HG11 VAL 18 1HG1 VAL 18 2.980 2.584 -7.756 144 HG12 VAL 18 2HG1 VAL 18 4.483 2.753 -8.666 145 HG13 VAL 18 3HG1 VAL 18 4.284 1.417 -7.529 146 HG21 VAL 18 3HG2 VAL 18 1.559 2.494 -9.886 147 HG22 VAL 18 1HG2 VAL 18 2.019 1.398 -11.186 148 HG23 VAL 18 2HG2 VAL 18 3.033 2.788 -10.807 149 H GLN 19 H GLN 19 3.515 -1.881 -9.253 150 HA GLN 19 HA GLN 19 4.924 -2.267 -6.879 151 HB2 GLN 19 2HB GLN 19 2.905 -3.565 -7.570 152 HB3 GLN 19 3HB GLN 19 3.854 -4.375 -8.812 153 HG2 GLN 19 2HG GLN 19 5.299 -5.331 -6.985 154 HG3 GLN 19 3HG GLN 19 4.202 -4.621 -5.805 155 HE21 GLN 19 1HE2 GLN 19 1.799 -5.241 -7.448 156 HE22 GLN 19 2HE2 GLN 19 1.561 -6.941 -7.287 157 H GLU 20 H GLU 20 5.619 -3.446 -10.174 158 HA GLU 20 HA GLU 20 7.989 -4.893 -9.627 159 HB2 GLU 20 2HB GLU 20 7.028 -3.607 -12.216 160 HB3 GLU 20 3HB GLU 20 8.336 -4.786 -12.109 161 HG2 GLU 20 2HG GLU 20 6.785 -6.507 -11.355 162 HG3 GLU 20 3HG GLU 20 5.464 -5.338 -11.297 163 H ARG 21 H ARG 21 7.427 -1.526 -10.611 164 HA ARG 21 HA ARG 21 10.143 -0.825 -11.154 165 HB2 ARG 21 2HB ARG 21 7.741 0.933 -10.496 166 HB3 ARG 21 3HB ARG 21 9.291 1.544 -11.077 167 HG2 ARG 21 2HG ARG 21 8.999 0.383 -13.204 168 HG3 ARG 21 3HG ARG 21 7.505 -0.361 -12.629 169 HD2 ARG 21 2HD ARG 21 6.505 1.919 -12.398 170 HD3 ARG 21 3HD ARG 21 7.987 2.605 -13.074 171 HE ARG 21 HE ARG 21 6.668 0.605 -14.718 172 HH11 ARG 21 1HH1 ARG 21 7.001 4.032 -14.039 173 HH12 ARG 21 2HH1 ARG 21 6.392 4.524 -15.585 174 HH21 ARG 21 1HH2 ARG 21 5.831 1.265 -16.742 175 HH22 ARG 21 2HH2 ARG 21 5.730 2.957 -17.120 176 H ALA 22 H ALA 22 8.074 -0.467 -8.287 177 HA ALA 22 HA ALA 22 10.007 0.941 -6.702 178 HB1 ALA 22 3HB ALA 22 8.398 0.683 -4.881 179 HB2 ALA 22 1HB ALA 22 7.476 -0.486 -5.836 180 HB3 ALA 22 2HB ALA 22 7.578 1.197 -6.359 181 H LYS 23 H LYS 23 9.091 -2.452 -7.120 182 HA LYS 23 HA LYS 23 10.819 -3.473 -5.056 183 HB2 LYS 23 2HB LYS 23 9.366 -4.823 -7.361 184 HB3 LYS 23 3HB LYS 23 10.416 -5.716 -6.261 185 HG2 LYS 23 2HG LYS 23 8.996 -5.166 -4.365 186 HG3 LYS 23 3HG LYS 23 8.003 -4.107 -5.369 187 HD2 LYS 23 2HD LYS 23 6.806 -6.184 -5.069 188 HD3 LYS 23 3HD LYS 23 7.343 -6.087 -6.745 189 HE2 LYS 23 2HE LYS 23 9.270 -7.597 -6.143 190 HE3 LYS 23 3HE LYS 23 8.564 -7.767 -4.532 191 HZ1 LYS 23 3HZ LYS 23 7.934 -9.595 -5.988 192 HZ2 LYS 23 1HZ LYS 23 7.231 -8.514 -7.081 193 HZ3 LYS 23 2HZ LYS 23 6.574 -8.696 -5.536 194 H HIS 24 H HIS 24 11.296 -2.583 -8.449 195 HA HIS 24 HA HIS 24 13.903 -3.655 -8.700 196 HB2 HIS 24 2HB HIS 24 12.607 -2.833 -10.634 197 HB3 HIS 24 3HB HIS 24 12.630 -1.200 -9.990 198 HD1 HIS 24 HD1 HIS 24 14.713 -3.675 -11.851 199 HD2 HIS 24 HD2 HIS 24 15.087 0.184 -10.366 200 HE1 HIS 24 HE1 HIS 24 16.753 -2.721 -12.956 201 HE2 HIS 24 HE2 HIS 24 16.810 -0.321 -12.207 202 H ASN 25 H ASN 25 12.669 -0.581 -7.407 203 HA ASN 25 HA ASN 25 15.314 0.566 -7.016 204 HB2 ASN 25 2HB ASN 25 12.528 1.599 -6.353 205 HB3 ASN 25 3HB ASN 25 14.000 2.521 -6.050 206 HD21 ASN 25 1HD2 ASN 25 11.745 3.155 -7.810 207 HD22 ASN 25 2HD2 ASN 25 12.404 3.369 -9.390 208 H TYR 26 H TYR 26 13.075 -1.253 -5.091 209 HA TYR 26 HA TYR 26 14.842 -1.077 -2.725 210 HB2 TYR 26 2HB TYR 26 11.781 -0.887 -2.589 211 HB3 TYR 26 3HB TYR 26 12.866 -0.959 -1.204 212 HD1 TYR 26 HD1 TYR 26 14.438 0.982 -0.753 213 HD2 TYR 26 HD2 TYR 26 11.337 1.196 -3.688 214 HE1 TYR 26 HE1 TYR 26 14.629 3.432 -0.779 215 HE2 TYR 26 HE2 TYR 26 11.518 3.625 -3.713 216 HH TYR 26 HH TYR 26 12.360 5.459 -2.001 217 HA PRO 27 HA PRO 27 14.037 -5.567 -2.608 218 HB2 PRO 27 2HB PRO 27 14.007 -6.009 0.150 219 HB3 PRO 27 3HB PRO 27 15.497 -5.843 -0.803 220 HG2 PRO 27 2HG PRO 27 14.073 -3.757 0.834 221 HG3 PRO 27 3HG PRO 27 15.814 -4.125 0.755 222 HD2 PRO 27 2HD PRO 27 14.800 -2.041 -0.605 223 HD3 PRO 27 3HD PRO 27 16.090 -3.038 -1.317 224 H GLY 28 H GLY 28 12.208 -6.910 -2.362 225 HA2 GLY 28 2HA GLY 28 9.632 -5.680 -2.069 226 HA3 GLY 28 3HA GLY 28 9.962 -7.391 -2.309 227 H ARG 29 H ARG 29 10.170 -4.869 0.166 228 HA ARG 29 HA ARG 29 9.195 -6.669 2.278 229 HB2 ARG 29 2HB ARG 29 11.557 -4.751 2.649 230 HB3 ARG 29 3HB ARG 29 10.867 -5.816 3.870 231 HG2 ARG 29 2HG ARG 29 11.665 -7.779 2.587 232 HG3 ARG 29 3HG ARG 29 12.367 -6.697 1.384 233 HD2 ARG 29 2HD ARG 29 13.798 -5.716 3.212 234 HD3 ARG 29 3HD ARG 29 13.186 -6.971 4.298 235 HE ARG 29 HE ARG 29 14.107 -8.485 2.345 236 HH11 ARG 29 1HH1 ARG 29 15.658 -5.693 3.816 237 HH12 ARG 29 2HH1 ARG 29 17.257 -6.269 3.503 238 HH21 ARG 29 1HH2 ARG 29 16.202 -9.204 1.901 239 HH22 ARG 29 2HH2 ARG 29 17.568 -8.269 2.408 240 H TYR 30 H TYR 30 10.249 -3.353 1.499 241 HA TYR 30 HA TYR 30 8.323 -1.913 2.998 242 HB2 TYR 30 2HB TYR 30 9.856 -1.142 0.479 243 HB3 TYR 30 3HB TYR 30 8.881 -0.018 1.412 244 HD1 TYR 30 HD1 TYR 30 9.578 0.494 3.829 245 HD2 TYR 30 HD2 TYR 30 12.144 -1.547 1.078 246 HE1 TYR 30 HE1 TYR 30 11.522 1.094 5.208 247 HE2 TYR 30 HE2 TYR 30 14.088 -0.970 2.464 248 HH TYR 30 HH TYR 30 14.729 0.741 4.122 249 H ILE 31 H ILE 31 8.263 -3.446 -0.137 250 HA ILE 31 HA ILE 31 5.651 -2.298 -0.870 251 HB ILE 31 HB ILE 31 7.683 -3.949 -2.446 252 HG12 ILE 31 2HG1 ILE 31 7.575 -1.948 -4.040 253 HG13 ILE 31 3HG1 ILE 31 6.614 -1.116 -2.828 254 HG21 ILE 31 1HG2 ILE 31 5.510 -4.827 -3.093 255 HG22 ILE 31 2HG2 ILE 31 6.125 -3.824 -4.407 256 HG23 ILE 31 3HG2 ILE 31 4.879 -3.197 -3.331 257 HD11 ILE 31 3HD1 ILE 31 8.941 -0.411 -2.816 258 HD12 ILE 31 1HD1 ILE 31 9.456 -2.064 -2.476 259 HD13 ILE 31 2HD1 ILE 31 8.501 -1.171 -1.287 260 H ARG 32 H ARG 32 3.907 -3.418 -0.422 261 HA ARG 32 HA ARG 32 3.911 -6.342 -0.058 262 HB2 ARG 32 2HB ARG 32 4.045 -4.879 2.127 263 HB3 ARG 32 3HB ARG 32 2.395 -4.404 1.758 264 HG2 ARG 32 2HG ARG 32 2.244 -6.158 3.342 265 HG3 ARG 32 3HG ARG 32 1.800 -6.884 1.794 266 HD2 ARG 32 2HD ARG 32 3.320 -8.321 3.167 267 HD3 ARG 32 3HD ARG 32 4.008 -7.904 1.596 268 HE ARG 32 HE ARG 32 5.603 -6.592 2.626 269 HH11 ARG 32 1HH1 ARG 32 3.384 -7.758 5.117 270 HH12 ARG 32 2HH1 ARG 32 4.418 -7.273 6.417 271 HH21 ARG 32 1HH2 ARG 32 6.890 -5.909 4.339 272 HH22 ARG 32 2HH2 ARG 32 6.405 -6.221 5.963 273 H THR 33 H THR 33 1.881 -7.275 -0.669 274 HA THR 33 HA THR 33 -0.129 -5.445 -1.869 275 HB THR 33 HB THR 33 -0.629 -7.474 -3.425 276 HG1 THR 33 HG1 THR 33 0.831 -8.872 -2.111 277 HG21 THR 33 3HG2 THR 33 1.999 -5.978 -3.756 278 HG22 THR 33 1HG2 THR 33 0.409 -5.429 -4.295 279 HG23 THR 33 2HG2 THR 33 1.148 -6.848 -5.036 280 H ALA 34 H ALA 34 -2.254 -5.899 -1.586 281 HA ALA 34 HA ALA 34 -3.048 -8.113 0.209 282 HB1 ALA 34 3HB ALA 34 -3.056 -5.974 1.444 283 HB2 ALA 34 1HB ALA 34 -4.697 -6.588 1.237 284 HB3 ALA 34 2HB ALA 34 -4.115 -5.259 0.228 285 H THR 35 H THR 35 -4.141 -9.484 -1.097 286 HA THR 35 HA THR 35 -6.079 -8.455 -3.069 287 HB THR 35 HB THR 35 -4.516 -10.265 -3.802 288 HG1 THR 35 HG1 THR 35 -7.088 -10.080 -4.237 289 HG21 THR 35 3HG2 THR 35 -4.345 -11.590 -1.724 290 HG22 THR 35 1HG2 THR 35 -4.875 -12.592 -3.080 291 HG23 THR 35 2HG2 THR 35 -6.042 -12.048 -1.875 292 H SER 36 H SER 36 -5.894 -9.787 0.111 293 HA SER 36 HA SER 36 -8.832 -9.890 0.360 294 HB2 SER 36 2HB SER 36 -8.076 -12.212 -0.039 295 HB3 SER 36 3HB SER 36 -6.888 -12.076 1.257 296 HG SER 36 HG SER 36 -9.658 -12.387 1.390 297 H SER 37 H SER 37 -9.514 -9.897 2.612 298 HA SER 37 HA SER 37 -8.204 -7.993 4.287 299 HB2 SER 37 2HB SER 37 -10.004 -8.500 5.914 300 HB3 SER 37 3HB SER 37 -10.667 -8.283 4.294 301 HG SER 37 HG SER 37 -11.467 -10.136 5.489 302 H GLN 38 H GLN 38 -7.946 -11.404 3.902 303 HA GLN 38 HA GLN 38 -6.836 -12.173 6.396 304 HB2 GLN 38 2HB GLN 38 -6.278 -13.392 3.656 305 HB3 GLN 38 3HB GLN 38 -6.057 -14.178 5.218 306 HG2 GLN 38 2HG GLN 38 -8.687 -13.395 3.922 307 HG3 GLN 38 3HG GLN 38 -8.065 -15.026 4.150 308 HE21 GLN 38 1HE2 GLN 38 -9.622 -12.313 5.672 309 HE22 GLN 38 2HE2 GLN 38 -10.024 -13.103 7.156 310 H ASP 39 H ASP 39 -5.308 -11.312 3.251 311 HA ASP 39 HA ASP 39 -2.622 -11.209 3.979 312 HB2 ASP 39 2HB ASP 39 -4.063 -9.368 2.005 313 HB3 ASP 39 3HB ASP 39 -2.318 -9.599 2.086 314 H ILE 40 H ILE 40 -5.062 -8.646 3.981 315 HA ILE 40 HA ILE 40 -3.666 -6.421 4.780 316 HB ILE 40 HB ILE 40 -6.520 -7.304 5.276 317 HG12 ILE 40 2HG1 ILE 40 -5.368 -5.126 3.479 318 HG13 ILE 40 3HG1 ILE 40 -5.762 -6.758 2.954 319 HG21 ILE 40 1HG2 ILE 40 -5.434 -4.584 6.071 320 HG22 ILE 40 2HG2 ILE 40 -6.051 -5.823 7.163 321 HG23 ILE 40 3HG2 ILE 40 -7.143 -5.035 6.026 322 HD11 ILE 40 3HD1 ILE 40 -7.710 -4.687 3.943 323 HD12 ILE 40 1HD1 ILE 40 -8.120 -6.336 3.461 324 HD13 ILE 40 2HD1 ILE 40 -7.459 -5.210 2.279 325 H ARG 41 H ARG 41 -5.440 -8.605 7.017 326 HA ARG 41 HA ARG 41 -4.726 -7.497 9.434 327 HB2 ARG 41 2HB ARG 41 -5.396 -10.337 8.636 328 HB3 ARG 41 3HB ARG 41 -4.889 -10.013 10.290 329 HG2 ARG 41 2HG ARG 41 -7.279 -8.766 8.898 330 HG3 ARG 41 3HG ARG 41 -7.329 -10.064 10.096 331 HD2 ARG 41 2HD ARG 41 -6.444 -7.186 10.532 332 HD3 ARG 41 3HD ARG 41 -7.863 -7.983 11.217 333 HE ARG 41 HE ARG 41 -5.787 -9.486 12.138 334 HH11 ARG 41 1HH1 ARG 41 -6.554 -6.041 12.406 335 HH12 ARG 41 2HH1 ARG 41 -5.706 -5.860 13.907 336 HH21 ARG 41 1HH2 ARG 41 -4.623 -9.187 14.064 337 HH22 ARG 41 2HH2 ARG 41 -4.613 -7.643 14.840 338 H ASP 42 H ASP 42 -2.904 -9.907 7.548 339 HA ASP 42 HA ASP 42 -0.844 -10.328 9.460 340 HB2 ASP 42 2HB ASP 42 -1.423 -11.945 7.618 341 HB3 ASP 42 3HB ASP 42 -0.719 -10.822 6.454 342 H ILE 43 H ILE 43 -1.198 -8.049 6.743 343 HA ILE 43 HA ILE 43 1.445 -7.037 6.643 344 HB ILE 43 HB ILE 43 -1.207 -5.651 6.032 345 HG12 ILE 43 2HG1 ILE 43 0.723 -7.044 4.123 346 HG13 ILE 43 3HG1 ILE 43 -0.790 -7.723 4.689 347 HG21 ILE 43 1HG2 ILE 43 1.579 -4.827 5.164 348 HG22 ILE 43 2HG2 ILE 43 0.590 -4.003 6.370 349 HG23 ILE 43 3HG2 ILE 43 0.069 -4.051 4.690 350 HD11 ILE 43 3HD1 ILE 43 -1.044 -6.877 2.459 351 HD12 ILE 43 1HD1 ILE 43 -0.473 -5.283 2.950 352 HD13 ILE 43 2HD1 ILE 43 -2.009 -5.901 3.566 353 H ILE 44 H ILE 44 -1.420 -5.983 8.396 354 HA ILE 44 HA ILE 44 -0.234 -3.749 9.720 355 HB ILE 44 HB ILE 44 -2.840 -5.247 10.274 356 HG12 ILE 44 2HG1 ILE 44 -2.341 -2.702 8.648 357 HG13 ILE 44 3HG1 ILE 44 -2.618 -4.293 7.953 358 HG21 ILE 44 1HG2 ILE 44 -2.175 -3.902 12.230 359 HG22 ILE 44 2HG2 ILE 44 -3.588 -3.197 11.444 360 HG23 ILE 44 3HG2 ILE 44 -1.994 -2.479 11.203 361 HD11 ILE 44 3HD1 ILE 44 -4.593 -2.912 7.825 362 HD12 ILE 44 1HD1 ILE 44 -4.605 -2.707 9.576 363 HD13 ILE 44 2HD1 ILE 44 -4.878 -4.302 8.870 364 H LYS 45 H LYS 45 -0.579 -7.175 10.475 365 HA LYS 45 HA LYS 45 0.154 -7.165 13.207 366 HB2 LYS 45 2HB LYS 45 0.384 -9.273 11.036 367 HB3 LYS 45 3HB LYS 45 1.003 -9.579 12.653 368 HG2 LYS 45 2HG LYS 45 -1.188 -9.406 13.623 369 HG3 LYS 45 3HG LYS 45 -1.877 -8.794 12.120 370 HD2 LYS 45 2HD LYS 45 -2.492 -11.149 12.497 371 HD3 LYS 45 3HD LYS 45 -1.533 -10.966 11.034 372 HE2 LYS 45 2HE LYS 45 -0.176 -11.744 13.619 373 HE3 LYS 45 3HE LYS 45 -1.052 -12.954 12.686 374 HZ1 LYS 45 3HZ LYS 45 0.354 -12.496 10.791 375 HZ2 LYS 45 1HZ LYS 45 1.296 -12.910 12.133 376 HZ3 LYS 45 2HZ LYS 45 1.185 -11.298 11.650 377 H SER 46 H SER 46 2.183 -7.294 10.227 378 HA SER 46 HA SER 46 4.651 -7.415 11.706 379 HB2 SER 46 2HB SER 46 5.714 -7.003 9.457 380 HB3 SER 46 3HB SER 46 4.604 -8.369 9.472 381 HG SER 46 HG SER 46 3.661 -5.836 8.710 382 H MET 47 H MET 47 2.560 -4.846 10.519 383 HA MET 47 HA MET 47 4.431 -2.689 10.717 384 HB2 MET 47 2HB MET 47 1.408 -2.779 10.550 385 HB3 MET 47 3HB MET 47 2.255 -1.256 10.793 386 HG2 MET 47 2HG MET 47 2.599 -3.121 8.439 387 HG3 MET 47 3HG MET 47 1.744 -1.577 8.442 388 HE1 MET 47 3HE MET 47 4.763 0.946 9.055 389 HE2 MET 47 1HE MET 47 3.775 0.210 10.317 390 HE3 MET 47 2HE MET 47 3.018 0.811 8.841 391 H LYS 48 H LYS 48 2.684 -4.425 13.108 392 HA LYS 48 HA LYS 48 2.615 -2.506 15.209 393 HB2 LYS 48 2HB LYS 48 2.791 -5.548 15.371 394 HB3 LYS 48 3HB LYS 48 2.336 -4.481 16.701 395 HG2 LYS 48 2HG LYS 48 0.289 -3.826 15.547 396 HG3 LYS 48 3HG LYS 48 0.781 -4.702 14.103 397 HD2 LYS 48 2HD LYS 48 -0.884 -6.024 15.232 398 HD3 LYS 48 3HD LYS 48 0.668 -6.843 15.407 399 HE2 LYS 48 2HE LYS 48 -0.522 -6.949 17.512 400 HE3 LYS 48 3HE LYS 48 0.852 -5.857 17.714 401 HZ1 LYS 48 3HZ LYS 48 -0.613 -3.991 17.493 402 HZ2 LYS 48 1HZ LYS 48 -1.223 -5.013 18.689 403 HZ3 LYS 48 2HZ LYS 48 -1.930 -4.985 17.156 404 H ASP 49 H ASP 49 5.150 -4.451 13.841 405 HA ASP 49 HA ASP 49 7.070 -3.875 15.999 406 HB2 ASP 49 2HB ASP 49 7.303 -5.609 13.497 407 HB3 ASP 49 3HB ASP 49 8.575 -5.421 14.704 408 H ASN 50 H ASN 50 5.999 -2.316 13.258 409 HA ASN 50 HA ASN 50 8.669 -1.381 12.365 410 HB2 ASN 50 2HB ASN 50 5.996 -1.239 10.893 411 HB3 ASN 50 3HB ASN 50 7.549 -0.692 10.257 412 HD21 ASN 50 1HD2 ASN 50 5.721 -2.677 9.199 413 HD22 ASN 50 2HD2 ASN 50 6.615 -4.148 9.086 414 H GLY 51 H GLY 51 9.183 0.463 13.469 415 HA2 GLY 51 2HA GLY 51 7.358 2.780 13.437 416 HA3 GLY 51 3HA GLY 51 9.014 2.745 14.047 417 H LYS 52 H LYS 52 7.676 1.720 10.949 418 HA LYS 52 HA LYS 52 9.709 3.255 9.467 419 HB2 LYS 52 2HB LYS 52 8.907 0.316 9.257 420 HB3 LYS 52 3HB LYS 52 9.920 1.133 8.073 421 HG2 LYS 52 2HG LYS 52 11.696 1.433 9.663 422 HG3 LYS 52 3HG LYS 52 10.675 0.902 11.003 423 HD2 LYS 52 2HD LYS 52 12.339 -0.819 10.177 424 HD3 LYS 52 3HD LYS 52 10.659 -1.361 10.217 425 HE2 LYS 52 2HE LYS 52 10.453 -1.129 7.821 426 HE3 LYS 52 3HE LYS 52 12.013 -0.315 7.714 427 HZ1 LYS 52 3HZ LYS 52 12.016 -2.704 7.065 428 HZ2 LYS 52 1HZ LYS 52 11.676 -3.102 8.671 429 HZ3 LYS 52 2HZ LYS 52 13.128 -2.323 8.280 430 HA PRO 53 HA PRO 53 6.292 3.724 6.466 431 HB2 PRO 53 2HB PRO 53 7.597 4.191 4.145 432 HB3 PRO 53 3HB PRO 53 7.700 5.348 5.490 433 HG2 PRO 53 2HG PRO 53 9.702 3.281 4.631 434 HG3 PRO 53 3HG PRO 53 9.969 4.963 5.150 435 HD2 PRO 53 2HD PRO 53 10.255 2.753 6.815 436 HD3 PRO 53 3HD PRO 53 9.954 4.406 7.387 437 H LEU 54 H LEU 54 5.025 2.262 5.443 438 HA LEU 54 HA LEU 54 6.251 0.063 3.879 439 HB2 LEU 54 2HB LEU 54 4.987 -0.493 6.170 440 HB3 LEU 54 3HB LEU 54 3.544 -0.259 5.200 441 HG LEU 54 HG LEU 54 4.436 -2.048 3.606 442 HD11 LEU 54 1HD1 LEU 54 6.797 -1.915 4.205 443 HD12 LEU 54 2HD1 LEU 54 6.186 -3.553 4.415 444 HD13 LEU 54 3HD1 LEU 54 6.443 -2.523 5.826 445 HD21 LEU 54 3HD2 LEU 54 3.932 -2.959 6.453 446 HD22 LEU 54 1HD2 LEU 54 3.774 -3.944 4.994 447 HD23 LEU 54 2HD2 LEU 54 2.694 -2.575 5.254 448 H VAL 55 H VAL 55 4.431 -0.786 2.275 449 HA VAL 55 HA VAL 55 2.772 1.360 1.184 450 HB VAL 55 HB VAL 55 4.948 0.091 -0.564 451 HG11 VAL 55 1HG1 VAL 55 2.866 0.522 -1.801 452 HG12 VAL 55 2HG1 VAL 55 4.138 1.623 -2.333 453 HG13 VAL 55 3HG1 VAL 55 2.867 2.202 -1.251 454 HG21 VAL 55 3HG2 VAL 55 5.982 2.308 -0.742 455 HG22 VAL 55 1HG2 VAL 55 5.918 1.809 0.945 456 HG23 VAL 55 2HG2 VAL 55 4.763 2.995 0.332 457 H VAL 56 H VAL 56 0.893 0.251 1.049 458 HA VAL 56 HA VAL 56 0.899 -2.577 0.179 459 HB VAL 56 HB VAL 56 -1.184 -1.038 1.780 460 HG11 VAL 56 1HG1 VAL 56 -2.364 -2.613 0.293 461 HG12 VAL 56 2HG1 VAL 56 -2.431 -3.190 1.959 462 HG13 VAL 56 3HG1 VAL 56 -1.308 -3.929 0.815 463 HG21 VAL 56 3HG2 VAL 56 -0.598 -2.623 3.577 464 HG22 VAL 56 1HG2 VAL 56 0.817 -1.708 3.052 465 HG23 VAL 56 2HG2 VAL 56 0.603 -3.381 2.529 466 H PHE 57 H PHE 57 0.444 -2.867 -1.817 467 HA PHE 57 HA PHE 57 -1.164 -1.071 -3.451 468 HB2 PHE 57 2HB PHE 57 0.383 -3.628 -4.073 469 HB3 PHE 57 3HB PHE 57 -0.508 -2.705 -5.270 470 HD1 PHE 57 HD2 PHE 57 2.504 -2.742 -3.119 471 HD2 PHE 57 HD1 PHE 57 0.351 -0.582 -6.120 472 HE1 PHE 57 HE2 PHE 57 4.470 -1.324 -3.529 473 HE2 PHE 57 HE1 PHE 57 2.320 0.816 -6.513 474 HZ PHE 57 HZ PHE 57 4.384 0.454 -5.223 475 H VAL 58 H VAL 58 -3.321 -1.396 -3.620 476 HA VAL 58 HA VAL 58 -4.658 -3.762 -2.631 477 HB VAL 58 HB VAL 58 -5.782 -1.386 -4.204 478 HG11 VAL 58 1HG1 VAL 58 -7.283 -3.510 -2.621 479 HG12 VAL 58 2HG1 VAL 58 -7.277 -3.333 -4.377 480 HG13 VAL 58 3HG1 VAL 58 -8.005 -2.082 -3.370 481 HG21 VAL 58 3HG2 VAL 58 -4.817 -0.654 -2.071 482 HG22 VAL 58 1HG2 VAL 58 -5.753 -1.872 -1.198 483 HG23 VAL 58 2HG2 VAL 58 -6.577 -0.537 -2.010 484 H ASN 59 H ASN 59 -3.669 -5.394 -3.951 485 HA ASN 59 HA ASN 59 -4.114 -5.302 -6.847 486 HB2 ASN 59 2HB ASN 59 -1.839 -5.813 -5.972 487 HB3 ASN 59 3HB ASN 59 -2.472 -7.245 -5.168 488 HD21 ASN 59 1HD2 ASN 59 -1.771 -5.784 -8.272 489 HD22 ASN 59 2HD2 ASN 59 -1.766 -7.254 -9.178 490 H GLY 60 H GLY 60 -6.261 -5.806 -7.126 491 HA2 GLY 60 2HA GLY 60 -7.965 -7.253 -7.655 492 HA3 GLY 60 3HA GLY 60 -6.913 -8.588 -7.205 493 H ALA 61 H ALA 61 -7.947 -5.911 -5.133 494 HA ALA 61 HA ALA 61 -9.440 -7.795 -3.389 495 HB1 ALA 61 3HB ALA 61 -7.476 -6.758 -2.301 496 HB2 ALA 61 1HB ALA 61 -8.982 -6.241 -1.537 497 HB3 ALA 61 2HB ALA 61 -8.128 -5.155 -2.635 498 H SER 62 H SER 62 -11.448 -7.134 -2.559 499 HA SER 62 HA SER 62 -13.017 -5.296 -4.164 500 HB2 SER 62 2HB SER 62 -13.990 -7.437 -3.340 501 HB3 SER 62 3HB SER 62 -13.742 -6.917 -1.675 502 HG SER 62 HG SER 62 -15.642 -6.087 -3.550 503 H GLN 63 H GLN 63 -14.276 -3.526 -3.132 504 HA GLN 63 HA GLN 63 -12.725 -1.779 -1.524 505 HB2 GLN 63 2HB GLN 63 -14.388 -0.936 -3.142 506 HB3 GLN 63 3HB GLN 63 -15.693 -1.643 -2.202 507 HG2 GLN 63 2HG GLN 63 -15.525 0.803 -1.863 508 HG3 GLN 63 3HG GLN 63 -15.266 -0.086 -0.362 509 HE21 GLN 63 1HE2 GLN 63 -14.160 1.681 0.563 510 HE22 GLN 63 2HE2 GLN 63 -12.556 2.109 0.092 511 H ASN 64 H ASN 64 -15.058 -4.272 -0.749 512 HA ASN 64 HA ASN 64 -15.601 -3.626 1.939 513 HB2 ASN 64 2HB ASN 64 -15.344 -6.397 0.679 514 HB3 ASN 64 3HB ASN 64 -16.041 -6.065 2.266 515 HD21 ASN 64 1HD2 ASN 64 -16.565 -5.967 -1.161 516 HD22 ASN 64 2HD2 ASN 64 -18.228 -5.510 -1.093 517 H ASP 65 H ASP 65 -12.848 -5.333 0.441 518 HA ASP 65 HA ASP 65 -11.491 -5.975 2.901 519 HB2 ASP 65 2HB ASP 65 -10.286 -5.717 0.106 520 HB3 ASP 65 3HB ASP 65 -9.517 -6.474 1.501 521 H VAL 66 H VAL 66 -11.267 -3.362 0.507 522 HA VAL 66 HA VAL 66 -8.984 -2.016 1.436 523 HB VAL 66 HB VAL 66 -11.424 -0.846 0.015 524 HG11 VAL 66 1HG1 VAL 66 -9.913 0.996 -0.709 525 HG12 VAL 66 2HG1 VAL 66 -8.636 0.341 0.318 526 HG13 VAL 66 3HG1 VAL 66 -10.120 0.964 1.042 527 HG21 VAL 66 3HG2 VAL 66 -10.350 -2.671 -1.261 528 HG22 VAL 66 1HG2 VAL 66 -8.790 -1.854 -1.134 529 HG23 VAL 66 2HG2 VAL 66 -10.100 -1.118 -2.062 530 H ASN 67 H ASN 67 -12.406 -1.544 2.249 531 HA ASN 67 HA ASN 67 -12.152 0.545 4.116 532 HB2 ASN 67 2HB ASN 67 -14.277 -1.626 3.856 533 HB3 ASN 67 3HB ASN 67 -14.397 -0.298 5.009 534 HD21 ASN 67 1HD2 ASN 67 -16.023 -1.047 2.616 535 HD22 ASN 67 2HD2 ASN 67 -16.094 0.389 1.666 536 H GLU 68 H GLU 68 -11.953 -2.998 4.502 537 HA GLU 68 HA GLU 68 -11.735 -2.972 7.346 538 HB2 GLU 68 2HB GLU 68 -10.921 -5.121 5.350 539 HB3 GLU 68 3HB GLU 68 -10.927 -5.338 7.101 540 HG2 GLU 68 2HG GLU 68 -13.343 -4.757 5.363 541 HG3 GLU 68 3HG GLU 68 -12.919 -6.313 6.067 542 H PHE 69 H PHE 69 -9.330 -2.661 4.746 543 HA PHE 69 HA PHE 69 -7.000 -2.962 6.321 544 HB2 PHE 69 2HB PHE 69 -6.887 -2.853 3.832 545 HB3 PHE 69 3HB PHE 69 -7.369 -1.161 3.882 546 HD1 PHE 69 HD1 PHE 69 -4.632 -3.537 4.673 547 HD2 PHE 69 HD2 PHE 69 -5.748 0.594 4.473 548 HE1 PHE 69 HE1 PHE 69 -2.281 -2.878 4.943 549 HE2 PHE 69 HE2 PHE 69 -3.394 1.235 4.740 550 HZ PHE 69 HZ PHE 69 -1.660 -0.495 4.979 551 H GLN 70 H GLN 70 -8.800 -0.086 5.336 552 HA GLN 70 HA GLN 70 -7.578 1.870 6.837 553 HB2 GLN 70 2HB GLN 70 -10.531 1.638 6.126 554 HB3 GLN 70 3HB GLN 70 -9.724 3.127 6.628 555 HG2 GLN 70 2HG GLN 70 -8.291 3.048 4.631 556 HG3 GLN 70 3HG GLN 70 -9.030 1.523 4.139 557 HE21 GLN 70 1HE2 GLN 70 -9.765 2.356 2.171 558 HE22 GLN 70 2HE2 GLN 70 -11.041 3.512 2.061 559 H ASN 71 H ASN 71 -10.329 -0.190 7.841 560 HA ASN 71 HA ASN 71 -10.744 0.996 10.375 561 HB2 ASN 71 2HB ASN 71 -11.624 -1.670 9.218 562 HB3 ASN 71 3HB ASN 71 -11.978 -1.249 10.892 563 HD21 ASN 71 1HD2 ASN 71 -13.093 -1.032 7.726 564 HD22 ASN 71 2HD2 ASN 71 -14.330 0.146 7.981 565 H GLU 72 H GLU 72 -9.333 -2.247 9.685 566 HA GLU 72 HA GLU 72 -8.347 -2.834 12.158 567 HB2 GLU 72 2HB GLU 72 -7.104 -3.579 9.493 568 HB3 GLU 72 3HB GLU 72 -6.670 -4.326 11.032 569 HG2 GLU 72 2HG GLU 72 -9.325 -4.475 9.579 570 HG3 GLU 72 3HG GLU 72 -8.193 -5.788 9.898 571 H ALA 73 H ALA 73 -6.555 -0.975 9.654 572 HA ALA 73 HA ALA 73 -4.143 -0.687 11.029 573 HB1 ALA 73 3HB ALA 73 -3.703 1.229 9.560 574 HB2 ALA 73 1HB ALA 73 -5.407 1.300 9.109 575 HB3 ALA 73 2HB ALA 73 -4.430 -0.100 8.654 576 H LYS 74 H LYS 74 -6.883 1.632 10.952 577 HA LYS 74 HA LYS 74 -5.721 3.465 12.770 578 HB2 LYS 74 2HB LYS 74 -7.839 4.640 12.755 579 HB3 LYS 74 3HB LYS 74 -7.461 4.087 11.137 580 HG2 LYS 74 2HG LYS 74 -9.034 2.060 11.774 581 HG3 LYS 74 3HG LYS 74 -9.644 3.172 13.000 582 HD2 LYS 74 2HD LYS 74 -9.630 3.601 9.982 583 HD3 LYS 74 3HD LYS 74 -11.040 3.271 10.991 584 HE2 LYS 74 2HE LYS 74 -10.781 5.436 12.102 585 HE3 LYS 74 3HE LYS 74 -9.309 5.762 11.185 586 HZ1 LYS 74 3HZ LYS 74 -11.297 6.859 10.281 587 HZ2 LYS 74 1HZ LYS 74 -11.981 5.349 9.962 588 HZ3 LYS 74 2HZ LYS 74 -10.567 5.817 9.168 589 H LYS 75 H LYS 75 -7.542 0.513 13.414 590 HA LYS 75 HA LYS 75 -8.084 1.321 16.189 591 HB2 LYS 75 2HB LYS 75 -9.361 -0.686 16.446 592 HB3 LYS 75 3HB LYS 75 -9.780 -0.014 14.876 593 HG2 LYS 75 2HG LYS 75 -8.279 -1.681 13.794 594 HG3 LYS 75 3HG LYS 75 -7.933 -2.376 15.377 595 HD2 LYS 75 2HD LYS 75 -9.617 -3.723 14.233 596 HD3 LYS 75 3HD LYS 75 -10.349 -2.941 15.636 597 HE2 LYS 75 2HE LYS 75 -11.419 -1.284 14.195 598 HE3 LYS 75 3HE LYS 75 -10.582 -1.924 12.780 599 HZ1 LYS 75 3HZ LYS 75 -12.608 -3.356 14.408 600 HZ2 LYS 75 1HZ LYS 75 -11.764 -4.021 13.103 601 HZ3 LYS 75 2HZ LYS 75 -12.825 -2.734 12.847 602 H GLU 76 H GLU 76 -5.699 -0.490 14.380 603 HA GLU 76 HA GLU 76 -4.400 -1.590 16.767 604 HB2 GLU 76 2HB GLU 76 -3.464 -1.524 13.857 605 HB3 GLU 76 3HB GLU 76 -2.635 -2.363 15.163 606 HG2 GLU 76 2HG GLU 76 -5.411 -3.017 14.134 607 HG3 GLU 76 3HG GLU 76 -3.937 -3.874 13.697 608 H GLY 77 H GLY 77 -4.525 1.450 15.292 609 HA2 GLY 77 2HA GLY 77 -3.396 3.383 15.919 610 HA3 GLY 77 3HA GLY 77 -2.143 2.426 16.689 611 H VAL 78 H VAL 78 -2.528 1.138 13.669 612 HA VAL 78 HA VAL 78 -0.126 2.347 12.610 613 HB VAL 78 HB VAL 78 -2.054 0.348 11.326 614 HG11 VAL 78 1HG1 VAL 78 -0.217 -0.155 9.738 615 HG12 VAL 78 2HG1 VAL 78 0.759 1.130 10.456 616 HG13 VAL 78 3HG1 VAL 78 -0.737 1.527 9.607 617 HG21 VAL 78 3HG2 VAL 78 -1.018 -0.557 13.375 618 HG22 VAL 78 1HG2 VAL 78 0.590 -0.156 12.756 619 HG23 VAL 78 2HG2 VAL 78 -0.393 -1.381 11.945 620 H SER 79 H SER 79 -0.071 4.116 11.355 621 HA SER 79 HA SER 79 -2.538 5.488 10.618 622 HB2 SER 79 2HB SER 79 0.366 6.378 10.305 623 HB3 SER 79 3HB SER 79 -1.072 7.408 10.220 624 HG SER 79 HG SER 79 -1.264 6.172 12.503 625 H TYR 80 H TYR 80 -3.434 4.818 8.721 626 HA TYR 80 HA TYR 80 -1.767 4.013 6.437 627 HB2 TYR 80 2HB TYR 80 -3.891 3.305 5.376 628 HB3 TYR 80 3HB TYR 80 -3.716 2.595 6.974 629 HD1 TYR 80 HD1 TYR 80 -5.133 3.434 8.875 630 HD2 TYR 80 HD2 TYR 80 -5.747 4.815 4.881 631 HE1 TYR 80 HE1 TYR 80 -7.334 4.297 9.502 632 HE2 TYR 80 HE2 TYR 80 -7.952 5.687 5.520 633 HH TYR 80 HH TYR 80 -9.667 5.242 7.244 634 H ASP 81 H ASP 81 -1.485 5.248 4.637 635 HA ASP 81 HA ASP 81 -2.834 7.886 4.458 636 HB2 ASP 81 2HB ASP 81 -0.282 7.828 4.934 637 HB3 ASP 81 3HB ASP 81 -0.085 7.182 3.315 638 H VAL 82 H VAL 82 -4.342 7.746 2.874 639 HA VAL 82 HA VAL 82 -4.238 5.599 0.912 640 HB VAL 82 HB VAL 82 -6.412 7.683 1.450 641 HG11 VAL 82 1HG1 VAL 82 -7.907 6.234 0.094 642 HG12 VAL 82 2HG1 VAL 82 -6.535 5.197 -0.296 643 HG13 VAL 82 3HG1 VAL 82 -6.568 6.865 -0.868 644 HG21 VAL 82 3HG2 VAL 82 -6.241 4.766 2.291 645 HG22 VAL 82 1HG2 VAL 82 -7.634 5.822 2.550 646 HG23 VAL 82 2HG2 VAL 82 -6.102 6.166 3.358 647 H LEU 83 H LEU 83 -3.856 5.837 -1.206 648 HA LEU 83 HA LEU 83 -3.676 8.493 -2.481 649 HB2 LEU 83 2HB LEU 83 -1.404 7.766 -1.849 650 HB3 LEU 83 3HB LEU 83 -1.668 6.200 -2.597 651 HG LEU 83 HG LEU 83 -1.805 7.341 -4.843 652 HD11 LEU 83 1HD1 LEU 83 -2.506 9.563 -4.137 653 HD12 LEU 83 2HD1 LEU 83 -1.021 9.648 -5.084 654 HD13 LEU 83 3HD1 LEU 83 -0.957 9.823 -3.327 655 HD21 LEU 83 3HD2 LEU 83 0.609 7.734 -5.062 656 HD22 LEU 83 1HD2 LEU 83 0.267 6.290 -4.110 657 HD23 LEU 83 2HD2 LEU 83 0.769 7.780 -3.303 658 H LYS 84 H LYS 84 -5.056 8.467 -4.180 659 HA LYS 84 HA LYS 84 -5.542 5.929 -5.654 660 HB2 LYS 84 2HB LYS 84 -7.490 8.252 -5.342 661 HB3 LYS 84 3HB LYS 84 -7.754 6.812 -6.324 662 HG2 LYS 84 2HG LYS 84 -7.495 5.494 -4.111 663 HG3 LYS 84 3HG LYS 84 -7.698 7.061 -3.312 664 HD2 LYS 84 2HD LYS 84 -9.872 7.332 -4.584 665 HD3 LYS 84 3HD LYS 84 -9.670 5.684 -5.184 666 HE2 LYS 84 2HE LYS 84 -11.184 5.621 -3.309 667 HE3 LYS 84 3HE LYS 84 -9.660 4.899 -2.789 668 HZ1 LYS 84 3HZ LYS 84 -9.081 6.961 -1.702 669 HZ2 LYS 84 1HZ LYS 84 -10.588 6.431 -1.145 670 HZ3 LYS 84 2HZ LYS 84 -10.492 7.696 -2.260 671 H SER 85 H SER 85 -4.378 6.019 -7.455 672 HA SER 85 HA SER 85 -4.763 8.221 -9.348 673 HB2 SER 85 2HB SER 85 -1.933 7.416 -8.529 674 HB3 SER 85 3HB SER 85 -2.365 8.605 -9.754 675 HG SER 85 HG SER 85 -3.594 9.390 -7.615 676 H THR 86 H THR 86 -4.533 7.569 -11.481 677 HA THR 86 HA THR 86 -3.550 4.825 -12.055 678 HB THR 86 HB THR 86 -4.844 5.177 -14.290 679 HG1 THR 86 HG1 THR 86 -5.372 7.313 -14.200 680 HG21 THR 86 3HG2 THR 86 -6.479 4.904 -11.747 681 HG22 THR 86 1HG2 THR 86 -5.633 3.591 -12.574 682 HG23 THR 86 2HG2 THR 86 -6.982 4.408 -13.364 683 H ASP 87 H ASP 87 -1.396 5.367 -12.225 684 HA ASP 87 HA ASP 87 -0.430 6.367 -14.663 685 HB2 ASP 87 2HB ASP 87 -0.984 8.580 -13.462 686 HB3 ASP 87 3HB ASP 87 0.297 8.186 -12.321 687 HA PRO 88 HA PRO 88 2.140 3.176 -12.788 688 HB2 PRO 88 2HB PRO 88 3.881 2.760 -14.908 689 HB3 PRO 88 3HB PRO 88 2.221 2.130 -14.857 690 HG2 PRO 88 2HG PRO 88 3.246 4.623 -16.194 691 HG3 PRO 88 3HG PRO 88 2.145 3.378 -16.832 692 HD2 PRO 88 2HD PRO 88 1.177 5.701 -15.886 693 HD3 PRO 88 3HD PRO 88 0.307 4.173 -15.607 694 H GLU 89 H GLU 89 3.579 6.179 -14.037 695 HA GLU 89 HA GLU 89 6.158 5.575 -12.711 696 HB2 GLU 89 2HB GLU 89 7.117 7.464 -13.904 697 HB3 GLU 89 3HB GLU 89 6.317 6.362 -15.018 698 HG2 GLU 89 2HG GLU 89 4.334 7.945 -14.993 699 HG3 GLU 89 3HG GLU 89 5.352 9.085 -14.108 700 H GLU 90 H GLU 90 3.413 7.817 -12.483 701 HA GLU 90 HA GLU 90 4.624 9.567 -10.551 702 HB2 GLU 90 2HB GLU 90 2.784 10.326 -12.024 703 HB3 GLU 90 3HB GLU 90 1.688 9.190 -11.244 704 HG2 GLU 90 2HG GLU 90 1.977 10.399 -9.090 705 HG3 GLU 90 3HG GLU 90 3.053 11.544 -9.889 706 H LEU 91 H LEU 91 2.439 6.774 -10.374 707 HA LEU 91 HA LEU 91 2.085 6.762 -7.559 708 HB2 LEU 91 2HB LEU 91 1.948 4.593 -9.655 709 HB3 LEU 91 3HB LEU 91 1.793 4.180 -7.956 710 HG LEU 91 HG LEU 91 -0.063 6.081 -9.450 711 HD11 LEU 91 1HD1 LEU 91 -1.726 4.278 -9.311 712 HD12 LEU 91 2HD1 LEU 91 -0.524 3.207 -8.588 713 HD13 LEU 91 3HD1 LEU 91 -0.321 3.775 -10.248 714 HD21 LEU 91 3HD2 LEU 91 0.124 6.619 -7.059 715 HD22 LEU 91 1HD2 LEU 91 -0.246 4.944 -6.637 716 HD23 LEU 91 2HD2 LEU 91 -1.461 5.950 -7.433 717 H THR 92 H THR 92 4.642 5.441 -9.657 718 HA THR 92 HA THR 92 6.112 4.056 -7.673 719 HB THR 92 HB THR 92 7.060 5.221 -10.326 720 HG1 THR 92 HG1 THR 92 5.417 3.440 -10.196 721 HG21 THR 92 3HG2 THR 92 9.022 4.856 -8.849 722 HG22 THR 92 1HG2 THR 92 8.992 3.674 -10.162 723 HG23 THR 92 2HG2 THR 92 8.483 3.204 -8.538 724 H GLN 93 H GLN 93 6.284 7.465 -8.826 725 HA GLN 93 HA GLN 93 8.619 8.096 -7.321 726 HB2 GLN 93 2HB GLN 93 8.336 10.388 -7.876 727 HB3 GLN 93 3HB GLN 93 7.824 9.475 -9.288 728 HG2 GLN 93 2HG GLN 93 5.489 9.889 -8.751 729 HG3 GLN 93 3HG GLN 93 5.934 10.701 -7.255 730 HE21 GLN 93 1HE2 GLN 93 6.824 12.790 -7.364 731 HE22 GLN 93 2HE2 GLN 93 6.694 13.767 -8.784 732 H ARG 94 H ARG 94 5.159 8.171 -6.598 733 HA ARG 94 HA ARG 94 5.351 9.604 -4.138 734 HB2 ARG 94 2HB ARG 94 3.194 7.734 -5.187 735 HB3 ARG 94 3HB ARG 94 3.038 8.697 -3.719 736 HG2 ARG 94 2HG ARG 94 3.323 9.746 -6.554 737 HG3 ARG 94 3HG ARG 94 1.869 9.790 -5.552 738 HD2 ARG 94 2HD ARG 94 3.041 11.306 -3.970 739 HD3 ARG 94 3HD ARG 94 4.471 11.265 -5.008 740 HE ARG 94 HE ARG 94 1.902 12.222 -6.087 741 HH11 ARG 94 1HH1 ARG 94 5.232 12.929 -5.199 742 HH12 ARG 94 2HH1 ARG 94 5.239 14.463 -5.984 743 HH21 ARG 94 1HH2 ARG 94 1.915 14.277 -7.057 744 HH22 ARG 94 2HH2 ARG 94 3.362 15.237 -7.038 745 H VAL 95 H VAL 95 5.379 6.153 -4.978 746 HA VAL 95 HA VAL 95 5.424 5.044 -2.386 747 HB VAL 95 HB VAL 95 6.557 4.002 -5.023 748 HG11 VAL 95 1HG1 VAL 95 6.712 1.752 -3.972 749 HG12 VAL 95 2HG1 VAL 95 6.319 2.466 -2.412 750 HG13 VAL 95 3HG1 VAL 95 7.819 2.904 -3.223 751 HG21 VAL 95 3HG2 VAL 95 4.099 4.222 -4.954 752 HG22 VAL 95 1HG2 VAL 95 4.038 3.229 -3.499 753 HG23 VAL 95 2HG2 VAL 95 4.574 2.526 -5.027 754 H ARG 96 H ARG 96 8.118 5.880 -4.602 755 HA ARG 96 HA ARG 96 10.122 4.980 -2.814 756 HB2 ARG 96 2HB ARG 96 11.773 5.938 -4.372 757 HB3 ARG 96 3HB ARG 96 10.582 4.935 -5.182 758 HG2 ARG 96 2HG ARG 96 9.432 6.973 -5.989 759 HG3 ARG 96 3HG ARG 96 10.656 7.967 -5.198 760 HD2 ARG 96 2HD ARG 96 12.388 7.145 -6.669 761 HD3 ARG 96 3HD ARG 96 11.330 5.891 -7.318 762 HE ARG 96 HE ARG 96 10.000 7.734 -8.321 763 HH11 ARG 96 1HH1 ARG 96 13.401 8.347 -7.614 764 HH12 ARG 96 2HH1 ARG 96 13.544 9.587 -8.816 765 HH21 ARG 96 1HH2 ARG 96 10.207 9.347 -9.889 766 HH22 ARG 96 2HH2 ARG 96 11.726 10.154 -10.111 767 H GLU 97 H GLU 97 8.777 8.235 -3.434 768 HA GLU 97 HA GLU 97 10.694 9.601 -1.800 769 HB2 GLU 97 2HB GLU 97 9.362 11.581 -2.055 770 HB3 GLU 97 3HB GLU 97 9.343 10.738 -3.600 771 HG2 GLU 97 2HG GLU 97 7.085 9.843 -3.045 772 HG3 GLU 97 3HG GLU 97 7.094 10.781 -1.552 773 H PHE 98 H PHE 98 7.536 8.060 -1.172 774 HA PHE 98 HA PHE 98 7.072 9.032 1.438 775 HB2 PHE 98 2HB PHE 98 5.327 7.901 0.106 776 HB3 PHE 98 3HB PHE 98 6.250 6.406 0.109 777 HD1 PHE 98 HD1 PHE 98 4.317 8.749 2.273 778 HD2 PHE 98 HD2 PHE 98 6.062 4.847 1.951 779 HE1 PHE 98 HE1 PHE 98 3.160 8.045 4.325 780 HE2 PHE 98 HE2 PHE 98 4.902 4.168 4.003 781 HZ PHE 98 HZ PHE 98 3.456 5.759 5.187 782 H LEU 99 H LEU 99 8.833 6.212 0.201 783 HA LEU 99 HA LEU 99 9.520 5.102 2.739 784 HB2 LEU 99 2HB LEU 99 10.786 4.668 0.006 785 HB3 LEU 99 3HB LEU 99 11.106 3.683 1.429 786 HG LEU 99 HG LEU 99 8.409 3.927 0.026 787 HD11 LEU 99 1HD1 LEU 99 8.752 1.604 -0.676 788 HD12 LEU 99 2HD1 LEU 99 10.372 1.622 0.028 789 HD13 LEU 99 3HD1 LEU 99 9.987 2.677 -1.335 790 HD21 LEU 99 3HD2 LEU 99 7.687 2.090 1.513 791 HD22 LEU 99 1HD2 LEU 99 8.088 3.555 2.406 792 HD23 LEU 99 2HD2 LEU 99 9.218 2.199 2.385 793 H LYS 100 H LYS 100 10.794 7.710 0.896 794 HA LYS 100 HA LYS 100 13.423 7.766 2.154 795 HB2 LYS 100 2HB LYS 100 12.011 9.690 0.265 796 HB3 LYS 100 3HB LYS 100 13.622 9.983 0.915 797 HG2 LYS 100 2HG LYS 100 14.463 7.961 -0.215 798 HG3 LYS 100 3HG LYS 100 12.847 7.631 -0.847 799 HD2 LYS 100 2HD LYS 100 14.205 8.702 -2.583 800 HD3 LYS 100 3HD LYS 100 12.904 9.788 -2.089 801 HE2 LYS 100 2HE LYS 100 14.584 10.941 -0.565 802 HE3 LYS 100 3HE LYS 100 15.837 9.953 -1.319 803 HZ1 LYS 100 3HZ LYS 100 15.691 12.118 -2.341 804 HZ2 LYS 100 1HZ LYS 100 14.061 11.878 -2.710 805 HZ3 LYS 100 2HZ LYS 100 15.247 10.928 -3.454 806 H THR 101 H THR 101 10.232 9.359 2.555 807 HA THR 101 HA THR 101 11.419 11.450 4.245 808 HB THR 101 HB THR 101 9.871 12.171 2.430 809 HG1 THR 101 HG1 THR 101 9.573 12.811 5.098 810 HG21 THR 101 3HG2 THR 101 8.255 10.302 2.412 811 HG22 THR 101 1HG2 THR 101 7.434 11.851 2.623 812 HG23 THR 101 2HG2 THR 101 7.674 10.782 4.007 813 H ALA 102 H ALA 102 9.059 8.788 4.408 814 HA ALA 102 HA ALA 102 8.513 9.294 7.238 815 HB1 ALA 102 3HB ALA 102 6.818 7.532 7.021 816 HB2 ALA 102 1HB ALA 102 7.397 7.150 5.395 817 HB3 ALA 102 2HB ALA 102 6.639 8.714 5.721 818 H GLY 103 H GLY 103 11.098 8.091 5.897 819 HA2 GLY 103 2HA GLY 103 11.459 5.471 6.898 820 HA3 GLY 103 3HA GLY 103 12.717 6.570 6.364 821 H SER 104 H SER 104 13.550 5.103 8.243 822 HA SER 104 HA SER 104 12.980 5.833 10.938 823 HB2 SER 104 2HB SER 104 15.385 4.342 9.795 824 HB3 SER 104 3HB SER 104 14.895 4.367 11.493 825 HG SER 104 HG SER 104 13.078 3.214 10.990 826 H LEU 105 H LEU 105 14.358 7.766 8.721 827 HA LEU 105 HA LEU 105 16.509 8.934 10.230 828 HB2 LEU 105 2HB LEU 105 16.309 10.777 8.400 829 HB3 LEU 105 3HB LEU 105 16.929 9.202 7.961 830 HG LEU 105 HG LEU 105 13.969 9.650 7.545 831 HD11 LEU 105 1HD1 LEU 105 14.258 10.696 5.384 832 HD12 LEU 105 2HD1 LEU 105 16.007 10.803 5.629 833 HD13 LEU 105 3HD1 LEU 105 14.906 11.730 6.654 834 HD21 LEU 105 3HD2 LEU 105 16.076 8.237 5.887 835 HD22 LEU 105 1HD2 LEU 105 14.327 8.181 5.636 836 HD23 LEU 105 2HD2 LEU 105 15.035 7.473 7.091 837 H GLU 106 H GLU 106 13.486 10.457 8.985 838 HA GLU 106 HA GLU 106 13.595 12.406 11.216 839 HB2 GLU 106 2HB GLU 106 12.357 13.925 9.681 840 HB3 GLU 106 3HB GLU 106 13.898 13.416 8.995 841 HG2 GLU 106 2HG GLU 106 12.803 11.849 7.522 842 HG3 GLU 106 3HG GLU 106 11.250 12.117 8.311 843 H HIS 107 H HIS 107 12.234 9.662 11.056 844 HA HIS 107 HA HIS 107 9.468 9.841 11.214 845 HB2 HIS 107 2HB HIS 107 9.561 7.865 12.699 846 HB3 HIS 107 3HB HIS 107 10.708 7.703 11.375 847 HD1 HIS 107 HD1 HIS 107 10.587 6.800 14.701 848 HD2 HIS 107 HD2 HIS 107 13.398 8.964 12.541 849 HE1 HIS 107 HE1 HIS 107 12.720 6.648 16.006 850 HE2 HIS 107 HE2 HIS 107 14.352 8.097 14.764 851 H HIS 108 H HIS 108 8.006 10.630 12.675 852 HA HIS 108 HA HIS 108 7.033 11.647 14.418 853 HB2 HIS 108 2HB HIS 108 9.575 10.885 15.843 854 HB3 HIS 108 3HB HIS 108 8.484 12.012 16.632 855 HD1 HIS 108 HD1 HIS 108 7.641 10.593 18.473 856 HD2 HIS 108 HD2 HIS 108 7.358 8.694 14.793 857 HE1 HIS 108 HE1 HIS 108 6.363 8.484 18.906 858 HE2 HIS 108 HE2 HIS 108 6.055 7.445 16.637 859 H HIS 109 H HIS 109 9.557 13.063 12.710 860 HA HIS 109 HA HIS 109 9.974 15.474 14.197 861 HB2 HIS 109 2HB HIS 109 11.295 16.218 12.436 862 HB3 HIS 109 3HB HIS 109 11.294 14.506 12.066 863 HD1 HIS 109 HD1 HIS 109 10.533 17.765 10.633 864 HD2 HIS 109 HD2 HIS 109 9.427 13.839 9.851 865 HE1 HIS 109 HE1 HIS 109 9.530 17.788 8.336 866 HE2 HIS 109 HE2 HIS 109 9.150 15.366 7.796 867 H HIS 110 H HIS 110 7.582 14.412 11.911 868 HA HIS 110 HA HIS 110 5.968 16.866 12.300 869 HB2 HIS 110 2HB HIS 110 6.475 16.544 9.938 870 HB3 HIS 110 3HB HIS 110 6.021 14.848 10.010 871 HD1 HIS 110 HD1 HIS 110 3.735 14.343 9.221 872 HD2 HIS 110 HD2 HIS 110 4.095 18.313 10.399 873 HE1 HIS 110 HE1 HIS 110 1.526 15.411 8.687 874 HE2 HIS 110 HE2 HIS 110 1.847 17.847 9.225 875 H HIS 111 H HIS 111 5.315 16.099 14.307 876 HA HIS 111 HA HIS 111 3.404 13.817 14.343 877 HB2 HIS 111 2HB HIS 111 3.920 13.546 16.712 878 HB3 HIS 111 3HB HIS 111 5.429 13.530 15.813 879 HD1 HIS 111 HD1 HIS 111 3.819 15.111 18.671 880 HD2 HIS 111 HD2 HIS 111 6.876 16.115 16.030 881 HE1 HIS 111 HE1 HIS 111 5.094 16.968 19.775 882 HE2 HIS 111 HE2 HIS 111 6.843 17.638 18.103 883 H HIS 112 H HIS 112 1.914 14.304 16.496 884 HA HIS 112 HA HIS 112 0.760 17.023 16.146 885 HB2 HIS 112 2HB HIS 112 -0.688 14.475 17.008 886 HB3 HIS 112 3HB HIS 112 -1.419 16.059 16.779 887 HD1 HIS 112 HD1 HIS 112 -1.715 13.117 15.216 888 HD2 HIS 112 HD2 HIS 112 -0.337 16.764 13.780 889 HE1 HIS 112 HE1 HIS 112 -1.991 13.011 12.725 890 HE2 HIS 112 HE2 HIS 112 -1.378 15.319 11.922 Start of MODEL 13 1 H1 MET 1 1H MET 1 5.378 2.843 16.113 2 H2 MET 1 2H MET 1 5.184 4.344 16.862 3 H3 MET 1 3H MET 1 6.421 4.113 15.741 4 HA MET 1 HA MET 1 3.540 3.969 15.159 5 HB2 MET 1 2HB MET 1 5.560 6.178 14.566 6 HB3 MET 1 3HB MET 1 3.956 6.106 13.844 7 HG2 MET 1 2HG MET 1 2.950 6.274 16.094 8 HG3 MET 1 3HG MET 1 4.568 6.393 16.794 9 HE1 MET 1 3HE MET 1 3.310 10.098 17.180 10 HE2 MET 1 1HE MET 1 4.013 8.712 18.011 11 HE3 MET 1 2HE MET 1 2.355 8.634 17.409 12 H GLY 2 H GLY 2 2.984 3.413 13.102 13 HA2 GLY 2 2HA GLY 2 5.065 2.803 11.077 14 HA3 GLY 2 3HA GLY 2 3.852 1.597 11.510 15 H LYS 3 H LYS 3 4.499 3.681 9.135 16 HA LYS 3 HA LYS 3 1.673 4.503 8.709 17 HB2 LYS 3 2HB LYS 3 3.186 6.421 9.197 18 HB3 LYS 3 3HB LYS 3 4.187 5.981 7.817 19 HG2 LYS 3 2HG LYS 3 2.355 6.459 6.279 20 HG3 LYS 3 3HG LYS 3 1.249 6.745 7.620 21 HD2 LYS 3 2HD LYS 3 3.717 8.421 7.017 22 HD3 LYS 3 3HD LYS 3 2.073 8.850 6.545 23 HE2 LYS 3 2HE LYS 3 1.446 8.837 8.990 24 HE3 LYS 3 3HE LYS 3 3.152 8.595 9.375 25 HZ1 LYS 3 3HZ LYS 3 1.976 10.919 7.949 26 HZ2 LYS 3 1HZ LYS 3 3.625 10.687 8.223 27 HZ3 LYS 3 2HZ LYS 3 2.578 10.903 9.524 28 H VAL 4 H VAL 4 0.794 3.471 7.049 29 HA VAL 4 HA VAL 4 2.462 2.148 5.006 30 HB VAL 4 HB VAL 4 -0.509 1.768 5.636 31 HG11 VAL 4 1HG1 VAL 4 1.356 0.094 3.921 32 HG12 VAL 4 2HG1 VAL 4 0.055 1.133 3.331 33 HG13 VAL 4 3HG1 VAL 4 -0.326 -0.298 4.293 34 HG21 VAL 4 3HG2 VAL 4 0.877 1.060 7.561 35 HG22 VAL 4 1HG2 VAL 4 1.818 0.011 6.498 36 HG23 VAL 4 2HG2 VAL 4 0.108 -0.324 6.780 37 H LEU 5 H LEU 5 2.245 2.695 2.820 38 HA LEU 5 HA LEU 5 0.355 4.810 2.035 39 HB2 LEU 5 2HB LEU 5 2.724 5.094 1.352 40 HB3 LEU 5 3HB LEU 5 2.675 3.556 0.505 41 HG LEU 5 HG LEU 5 0.970 4.495 -1.077 42 HD11 LEU 5 1HD1 LEU 5 1.401 7.106 0.398 43 HD12 LEU 5 2HD1 LEU 5 -0.083 6.148 0.362 44 HD13 LEU 5 3HD1 LEU 5 0.506 6.909 -1.114 45 HD21 LEU 5 3HD2 LEU 5 3.515 6.136 -0.900 46 HD22 LEU 5 1HD2 LEU 5 2.479 5.983 -2.323 47 HD23 LEU 5 2HD2 LEU 5 3.331 4.572 -1.700 48 H LEU 6 H LEU 6 -1.573 3.985 1.523 49 HA LEU 6 HA LEU 6 -1.911 1.269 0.508 50 HB2 LEU 6 2HB LEU 6 -3.327 2.222 2.368 51 HB3 LEU 6 3HB LEU 6 -3.964 3.406 1.238 52 HG LEU 6 HG LEU 6 -4.953 1.511 -0.109 53 HD11 LEU 6 1HD1 LEU 6 -3.446 -0.290 0.544 54 HD12 LEU 6 2HD1 LEU 6 -5.116 -0.727 0.897 55 HD13 LEU 6 3HD1 LEU 6 -4.042 -0.223 2.204 56 HD21 LEU 6 3HD2 LEU 6 -6.816 1.061 1.434 57 HD22 LEU 6 1HD2 LEU 6 -6.329 2.755 1.500 58 HD23 LEU 6 2HD2 LEU 6 -5.850 1.650 2.790 59 H VAL 7 H VAL 7 -1.323 1.256 -1.643 60 HA VAL 7 HA VAL 7 -1.989 3.456 -3.439 61 HB VAL 7 HB VAL 7 -0.483 0.866 -4.040 62 HG11 VAL 7 1HG1 VAL 7 -1.448 1.866 -6.084 63 HG12 VAL 7 2HG1 VAL 7 0.311 2.011 -6.091 64 HG13 VAL 7 3HG1 VAL 7 -0.688 3.413 -5.700 65 HG21 VAL 7 3HG2 VAL 7 0.630 3.627 -3.424 66 HG22 VAL 7 1HG2 VAL 7 1.580 2.217 -3.902 67 HG23 VAL 7 2HG2 VAL 7 0.711 2.218 -2.364 68 H ILE 8 H ILE 8 -3.996 3.453 -4.059 69 HA ILE 8 HA ILE 8 -5.414 1.025 -4.975 70 HB ILE 8 HB ILE 8 -6.616 3.706 -4.124 71 HG12 ILE 8 2HG1 ILE 8 -6.482 1.142 -2.478 72 HG13 ILE 8 3HG1 ILE 8 -5.519 2.586 -2.185 73 HG21 ILE 8 1HG2 ILE 8 -8.781 2.523 -4.082 74 HG22 ILE 8 2HG2 ILE 8 -7.991 1.040 -4.615 75 HG23 ILE 8 3HG2 ILE 8 -8.048 2.440 -5.688 76 HD11 ILE 8 3HD1 ILE 8 -7.364 2.453 -0.645 77 HD12 ILE 8 1HD1 ILE 8 -8.520 2.387 -1.975 78 HD13 ILE 8 2HD1 ILE 8 -7.558 3.843 -1.710 79 H SER 9 H SER 9 -6.209 1.042 -7.039 80 HA SER 9 HA SER 9 -6.566 3.405 -8.639 81 HB2 SER 9 2HB SER 9 -4.122 3.053 -8.973 82 HB3 SER 9 3HB SER 9 -4.420 1.385 -9.452 83 HG SER 9 HG SER 9 -4.678 3.711 -10.878 84 H THR 10 H THR 10 -7.984 2.985 -10.335 85 HA THR 10 HA THR 10 -9.457 0.511 -10.317 86 HB THR 10 HB THR 10 -10.697 1.578 -12.270 87 HG1 THR 10 HG1 THR 10 -9.055 2.896 -13.097 88 HG21 THR 10 3HG2 THR 10 -11.758 3.361 -10.929 89 HG22 THR 10 1HG2 THR 10 -10.418 3.307 -9.780 90 HG23 THR 10 2HG2 THR 10 -11.492 1.918 -9.950 91 H ASP 11 H ASP 11 -6.533 1.290 -11.663 92 HA ASP 11 HA ASP 11 -6.722 -0.801 -13.749 93 HB2 ASP 11 2HB ASP 11 -4.837 1.578 -13.520 94 HB3 ASP 11 3HB ASP 11 -4.580 0.252 -14.649 95 H THR 12 H THR 12 -6.444 -2.489 -12.273 96 HA THR 12 HA THR 12 -4.364 -2.858 -10.434 97 HB THR 12 HB THR 12 -5.717 -5.009 -12.135 98 HG1 THR 12 HG1 THR 12 -6.535 -4.048 -9.583 99 HG21 THR 12 3HG2 THR 12 -4.488 -5.207 -9.353 100 HG22 THR 12 1HG2 THR 12 -3.793 -5.888 -10.831 101 HG23 THR 12 2HG2 THR 12 -5.323 -6.504 -10.208 102 H ASN 13 H ASN 13 -4.429 -3.023 -13.909 103 HA ASN 13 HA ASN 13 -2.048 -4.268 -14.617 104 HB2 ASN 13 2HB ASN 13 -3.311 -1.804 -15.909 105 HB3 ASN 13 3HB ASN 13 -2.113 -2.849 -16.667 106 HD21 ASN 13 1HD2 ASN 13 -3.455 -3.339 -18.383 107 HD22 ASN 13 2HD2 ASN 13 -4.864 -4.330 -18.234 108 H ILE 14 H ILE 14 -2.650 -0.866 -13.698 109 HA ILE 14 HA ILE 14 0.067 -0.013 -14.102 110 HB ILE 14 HB ILE 14 -2.228 1.403 -12.668 111 HG12 ILE 14 2HG1 ILE 14 -2.700 0.967 -15.086 112 HG13 ILE 14 3HG1 ILE 14 -2.571 2.683 -14.737 113 HG21 ILE 14 1HG2 ILE 14 -0.927 3.491 -12.976 114 HG22 ILE 14 2HG2 ILE 14 0.420 2.547 -13.616 115 HG23 ILE 14 3HG2 ILE 14 -0.086 2.335 -11.939 116 HD11 ILE 14 3HD1 ILE 14 -1.543 2.132 -16.847 117 HD12 ILE 14 1HD1 ILE 14 -0.461 0.981 -16.065 118 HD13 ILE 14 2HD1 ILE 14 -0.322 2.708 -15.714 119 H ILE 15 H ILE 15 -1.956 -0.881 -11.313 120 HA ILE 15 HA ILE 15 -0.262 -0.318 -9.163 121 HB ILE 15 HB ILE 15 -2.357 -2.508 -9.519 122 HG12 ILE 15 2HG1 ILE 15 -2.461 0.186 -8.091 123 HG13 ILE 15 3HG1 ILE 15 -3.254 -0.219 -9.607 124 HG21 ILE 15 1HG2 ILE 15 -0.819 -3.259 -7.751 125 HG22 ILE 15 2HG2 ILE 15 -2.392 -2.836 -7.077 126 HG23 ILE 15 3HG2 ILE 15 -1.032 -1.726 -6.902 127 HD11 ILE 15 3HD1 ILE 15 -4.858 -0.190 -7.825 128 HD12 ILE 15 1HD1 ILE 15 -3.910 -1.345 -6.886 129 HD13 ILE 15 2HD1 ILE 15 -4.664 -1.844 -8.402 130 H SER 16 H SER 16 -0.463 -3.247 -11.163 131 HA SER 16 HA SER 16 1.405 -4.813 -9.695 132 HB2 SER 16 2HB SER 16 -0.398 -5.771 -11.118 133 HB3 SER 16 3HB SER 16 0.412 -5.151 -12.559 134 HG SER 16 HG SER 16 0.963 -7.299 -12.232 135 H SER 17 H SER 17 1.683 -2.718 -12.549 136 HA SER 17 HA SER 17 4.384 -3.361 -13.223 137 HB2 SER 17 2HB SER 17 2.768 -0.865 -13.883 138 HB3 SER 17 3HB SER 17 4.256 -1.378 -14.684 139 HG SER 17 HG SER 17 3.088 -3.341 -15.235 140 H VAL 18 H VAL 18 2.933 -0.645 -11.421 141 HA VAL 18 HA VAL 18 5.284 0.761 -10.737 142 HB VAL 18 HB VAL 18 2.522 0.706 -9.436 143 HG11 VAL 18 1HG1 VAL 18 4.793 2.630 -8.820 144 HG12 VAL 18 2HG1 VAL 18 4.115 1.435 -7.713 145 HG13 VAL 18 3HG1 VAL 18 3.132 2.798 -8.249 146 HG21 VAL 18 3HG2 VAL 18 2.200 2.864 -10.591 147 HG22 VAL 18 1HG2 VAL 18 2.602 1.591 -11.746 148 HG23 VAL 18 2HG2 VAL 18 3.830 2.763 -11.259 149 H GLN 19 H GLN 19 3.612 -1.919 -9.228 150 HA GLN 19 HA GLN 19 4.944 -2.172 -6.791 151 HB2 GLN 19 2HB GLN 19 2.939 -3.481 -7.473 152 HB3 GLN 19 3HB GLN 19 3.919 -4.365 -8.636 153 HG2 GLN 19 2HG GLN 19 5.314 -5.160 -6.645 154 HG3 GLN 19 3HG GLN 19 4.052 -4.487 -5.614 155 HE21 GLN 19 1HE2 GLN 19 1.895 -5.277 -7.521 156 HE22 GLN 19 2HE2 GLN 19 1.734 -6.983 -7.337 157 H GLU 20 H GLU 20 5.682 -3.684 -9.948 158 HA GLU 20 HA GLU 20 8.086 -4.943 -9.156 159 HB2 GLU 20 2HB GLU 20 6.933 -4.261 -11.878 160 HB3 GLU 20 3HB GLU 20 8.465 -5.108 -11.704 161 HG2 GLU 20 2HG GLU 20 5.796 -6.084 -10.645 162 HG3 GLU 20 3HG GLU 20 6.577 -6.643 -12.122 163 H ARG 21 H ARG 21 7.437 -1.719 -10.420 164 HA ARG 21 HA ARG 21 10.098 -0.920 -11.044 165 HB2 ARG 21 2HB ARG 21 7.648 0.691 -10.219 166 HB3 ARG 21 3HB ARG 21 9.156 1.427 -10.753 167 HG2 ARG 21 2HG ARG 21 8.893 0.487 -12.978 168 HG3 ARG 21 3HG ARG 21 7.465 -0.421 -12.470 169 HD2 ARG 21 2HD ARG 21 6.228 1.622 -12.087 170 HD3 ARG 21 3HD ARG 21 7.667 2.605 -12.363 171 HE ARG 21 HE ARG 21 6.876 0.981 -14.623 172 HH11 ARG 21 1HH1 ARG 21 6.478 4.085 -13.010 173 HH12 ARG 21 2HH1 ARG 21 5.960 4.903 -14.449 174 HH21 ARG 21 1HH2 ARG 21 6.233 2.087 -16.520 175 HH22 ARG 21 2HH2 ARG 21 5.820 3.770 -16.437 176 H ALA 22 H ALA 22 8.091 -0.649 -8.137 177 HA ALA 22 HA ALA 22 9.937 0.835 -6.545 178 HB1 ALA 22 3HB ALA 22 7.501 0.892 -6.194 179 HB2 ALA 22 1HB ALA 22 8.355 0.410 -4.726 180 HB3 ALA 22 2HB ALA 22 7.527 -0.805 -5.710 181 H LYS 23 H LYS 23 9.220 -2.592 -6.971 182 HA LYS 23 HA LYS 23 10.968 -3.575 -4.910 183 HB2 LYS 23 2HB LYS 23 9.600 -4.901 -7.285 184 HB3 LYS 23 3HB LYS 23 10.615 -5.794 -6.156 185 HG2 LYS 23 2HG LYS 23 9.111 -5.351 -4.323 186 HG3 LYS 23 3HG LYS 23 8.180 -4.212 -5.292 187 HD2 LYS 23 2HD LYS 23 6.963 -6.322 -5.044 188 HD3 LYS 23 3HD LYS 23 7.390 -6.046 -6.730 189 HE2 LYS 23 2HE LYS 23 9.061 -7.828 -4.934 190 HE3 LYS 23 3HE LYS 23 7.653 -8.433 -5.798 191 HZ1 LYS 23 3HZ LYS 23 10.050 -7.215 -7.068 192 HZ2 LYS 23 1HZ LYS 23 8.688 -7.794 -7.883 193 HZ3 LYS 23 2HZ LYS 23 9.675 -8.855 -7.019 194 H HIS 24 H HIS 24 11.303 -2.833 -8.361 195 HA HIS 24 HA HIS 24 13.863 -3.870 -8.837 196 HB2 HIS 24 2HB HIS 24 12.331 -3.163 -10.614 197 HB3 HIS 24 3HB HIS 24 12.372 -1.503 -10.047 198 HD1 HIS 24 HD1 HIS 24 13.976 -0.012 -11.186 199 HD2 HIS 24 HD2 HIS 24 14.937 -4.020 -11.728 200 HE1 HIS 24 HE1 HIS 24 15.827 -0.041 -12.869 201 HE2 HIS 24 HE2 HIS 24 16.271 -2.473 -13.303 202 H ASN 25 H ASN 25 12.815 -0.959 -7.190 203 HA ASN 25 HA ASN 25 15.531 0.198 -7.156 204 HB2 ASN 25 2HB ASN 25 12.889 1.421 -6.247 205 HB3 ASN 25 3HB ASN 25 14.437 2.261 -6.335 206 HD21 ASN 25 1HD2 ASN 25 11.891 2.834 -7.692 207 HD22 ASN 25 2HD2 ASN 25 12.244 2.837 -9.381 208 H TYR 26 H TYR 26 13.105 -1.226 -5.029 209 HA TYR 26 HA TYR 26 14.852 -0.814 -2.645 210 HB2 TYR 26 2HB TYR 26 11.798 -0.789 -2.764 211 HB3 TYR 26 3HB TYR 26 12.743 -0.736 -1.280 212 HD1 TYR 26 HD1 TYR 26 14.338 1.247 -0.941 213 HD2 TYR 26 HD2 TYR 26 11.244 1.227 -3.886 214 HE1 TYR 26 HE1 TYR 26 14.418 3.695 -1.035 215 HE2 TYR 26 HE2 TYR 26 11.318 3.673 -3.985 216 HH TYR 26 HH TYR 26 12.100 5.570 -2.202 217 HA PRO 27 HA PRO 27 14.280 -5.270 -1.741 218 HB2 PRO 27 2HB PRO 27 14.029 -5.082 1.049 219 HB3 PRO 27 3HB PRO 27 15.580 -5.122 0.187 220 HG2 PRO 27 2HG PRO 27 14.054 -2.730 1.185 221 HG3 PRO 27 3HG PRO 27 15.794 -3.086 1.313 222 HD2 PRO 27 2HD PRO 27 14.929 -1.388 -0.553 223 HD3 PRO 27 3HD PRO 27 16.203 -2.566 -0.953 224 H GLY 28 H GLY 28 12.553 -6.656 -1.227 225 HA2 GLY 28 2HA GLY 28 9.894 -5.513 -1.430 226 HA3 GLY 28 3HA GLY 28 10.318 -7.214 -1.463 227 H ARG 29 H ARG 29 11.415 -5.198 1.178 228 HA ARG 29 HA ARG 29 9.661 -6.526 3.110 229 HB2 ARG 29 2HB ARG 29 11.806 -4.390 3.562 230 HB3 ARG 29 3HB ARG 29 11.038 -5.382 4.800 231 HG2 ARG 29 2HG ARG 29 12.099 -7.402 3.833 232 HG3 ARG 29 3HG ARG 29 12.876 -6.396 2.608 233 HD2 ARG 29 2HD ARG 29 14.074 -5.168 4.411 234 HD3 ARG 29 3HD ARG 29 13.329 -6.226 5.612 235 HE ARG 29 HE ARG 29 15.005 -7.362 3.463 236 HH11 ARG 29 1HH1 ARG 29 14.549 -6.773 6.904 237 HH12 ARG 29 2HH1 ARG 29 15.823 -7.840 7.375 238 HH21 ARG 29 1HH2 ARG 29 16.680 -8.759 4.107 239 HH22 ARG 29 2HH2 ARG 29 17.035 -8.969 5.794 240 H TYR 30 H TYR 30 10.426 -3.305 1.857 241 HA TYR 30 HA TYR 30 8.423 -1.860 3.299 242 HB2 TYR 30 2HB TYR 30 10.160 -1.127 0.908 243 HB3 TYR 30 3HB TYR 30 9.072 0.009 1.696 244 HD1 TYR 30 HD1 TYR 30 9.451 0.500 4.189 245 HD2 TYR 30 HD2 TYR 30 12.395 -1.426 1.773 246 HE1 TYR 30 HE1 TYR 30 11.164 1.113 5.827 247 HE2 TYR 30 HE2 TYR 30 14.128 -0.819 3.416 248 HH TYR 30 HH TYR 30 14.518 0.801 5.196 249 H ILE 31 H ILE 31 8.567 -3.489 0.214 250 HA ILE 31 HA ILE 31 5.931 -2.449 -0.609 251 HB ILE 31 HB ILE 31 8.058 -3.929 -2.226 252 HG12 ILE 31 2HG1 ILE 31 7.951 -1.796 -3.673 253 HG13 ILE 31 3HG1 ILE 31 7.023 -1.062 -2.376 254 HG21 ILE 31 1HG2 ILE 31 5.287 -3.068 -3.124 255 HG22 ILE 31 2HG2 ILE 31 5.869 -4.726 -2.975 256 HG23 ILE 31 3HG2 ILE 31 6.552 -3.658 -4.201 257 HD11 ILE 31 3HD1 ILE 31 9.853 -2.074 -2.179 258 HD12 ILE 31 1HD1 ILE 31 8.934 -1.310 -0.880 259 HD13 ILE 31 2HD1 ILE 31 9.349 -0.389 -2.325 260 H ARG 32 H ARG 32 4.233 -3.671 -0.239 261 HA ARG 32 HA ARG 32 4.289 -6.588 -0.507 262 HB2 ARG 32 2HB ARG 32 4.573 -6.097 1.930 263 HB3 ARG 32 3HB ARG 32 3.103 -5.134 1.903 264 HG2 ARG 32 2HG ARG 32 1.743 -7.089 1.491 265 HG3 ARG 32 3HG ARG 32 3.166 -8.097 1.239 266 HD2 ARG 32 2HD ARG 32 3.772 -7.911 3.593 267 HD3 ARG 32 3HD ARG 32 2.459 -6.755 3.872 268 HE ARG 32 HE ARG 32 1.211 -8.975 2.850 269 HH11 ARG 32 1HH1 ARG 32 3.239 -8.414 5.691 270 HH12 ARG 32 2HH1 ARG 32 2.466 -9.670 6.613 271 HH21 ARG 32 1HH2 ARG 32 0.145 -10.488 4.141 272 HH22 ARG 32 2HH2 ARG 32 0.717 -10.833 5.720 273 H THR 33 H THR 33 2.128 -7.449 -0.946 274 HA THR 33 HA THR 33 0.197 -5.429 -1.946 275 HB THR 33 HB THR 33 -0.700 -7.280 -3.394 276 HG1 THR 33 HG1 THR 33 -0.030 -9.133 -2.391 277 HG21 THR 33 3HG2 THR 33 0.946 -5.659 -4.300 278 HG22 THR 33 1HG2 THR 33 1.101 -7.252 -5.049 279 HG23 THR 33 2HG2 THR 33 2.256 -6.738 -3.818 280 H ALA 34 H ALA 34 -1.971 -5.674 -1.476 281 HA ALA 34 HA ALA 34 -2.816 -7.721 0.478 282 HB1 ALA 34 3HB ALA 34 -4.102 -5.134 -0.468 283 HB2 ALA 34 1HB ALA 34 -3.339 -5.429 1.098 284 HB3 ALA 34 2HB ALA 34 -4.832 -6.267 0.672 285 H THR 35 H THR 35 -3.432 -9.546 -0.614 286 HA THR 35 HA THR 35 -4.887 -9.318 -3.165 287 HB THR 35 HB THR 35 -2.987 -10.922 -3.081 288 HG1 THR 35 HG1 THR 35 -5.604 -11.964 -3.545 289 HG21 THR 35 3HG2 THR 35 -4.719 -12.501 -1.140 290 HG22 THR 35 1HG2 THR 35 -3.179 -11.720 -0.756 291 HG23 THR 35 2HG2 THR 35 -3.226 -13.072 -1.887 292 H SER 36 H SER 36 -5.433 -10.149 0.179 293 HA SER 36 HA SER 36 -8.323 -10.299 -0.218 294 HB2 SER 36 2HB SER 36 -6.779 -12.655 0.987 295 HB3 SER 36 3HB SER 36 -8.533 -12.499 0.969 296 HG SER 36 HG SER 36 -8.038 -12.269 -1.479 297 H SER 37 H SER 37 -9.389 -10.592 2.047 298 HA SER 37 HA SER 37 -8.411 -8.596 3.824 299 HB2 SER 37 2HB SER 37 -10.321 -9.306 5.276 300 HB3 SER 37 3HB SER 37 -10.810 -9.075 3.596 301 HG SER 37 HG SER 37 -11.569 -11.043 4.667 302 H GLN 38 H GLN 38 -8.089 -12.087 3.728 303 HA GLN 38 HA GLN 38 -7.032 -12.666 6.259 304 HB2 GLN 38 2HB GLN 38 -6.211 -13.904 3.593 305 HB3 GLN 38 3HB GLN 38 -5.954 -14.620 5.174 306 HG2 GLN 38 2HG GLN 38 -8.665 -14.118 3.919 307 HG3 GLN 38 3HG GLN 38 -7.810 -15.654 3.882 308 HE21 GLN 38 1HE2 GLN 38 -9.760 -13.536 5.762 309 HE22 GLN 38 2HE2 GLN 38 -9.955 -14.584 7.125 310 H ASP 39 H ASP 39 -5.386 -11.726 3.226 311 HA ASP 39 HA ASP 39 -2.724 -11.630 4.082 312 HB2 ASP 39 2HB ASP 39 -3.671 -11.532 1.674 313 HB3 ASP 39 3HB ASP 39 -3.960 -9.827 1.942 314 H ILE 40 H ILE 40 -5.168 -9.072 3.816 315 HA ILE 40 HA ILE 40 -3.696 -6.818 4.441 316 HB ILE 40 HB ILE 40 -6.652 -7.427 4.805 317 HG12 ILE 40 2HG1 ILE 40 -5.061 -5.854 2.744 318 HG13 ILE 40 3HG1 ILE 40 -5.895 -7.377 2.491 319 HG21 ILE 40 1HG2 ILE 40 -6.128 -5.678 6.442 320 HG22 ILE 40 2HG2 ILE 40 -7.074 -5.006 5.115 321 HG23 ILE 40 3HG2 ILE 40 -5.336 -4.724 5.190 322 HD11 ILE 40 3HD1 ILE 40 -7.149 -4.684 2.959 323 HD12 ILE 40 1HD1 ILE 40 -8.036 -6.206 2.827 324 HD13 ILE 40 2HD1 ILE 40 -7.101 -5.609 1.458 325 H ARG 41 H ARG 41 -5.721 -8.722 6.709 326 HA ARG 41 HA ARG 41 -5.092 -7.148 8.970 327 HB2 ARG 41 2HB ARG 41 -6.110 -10.012 8.825 328 HB3 ARG 41 3HB ARG 41 -6.030 -9.051 10.305 329 HG2 ARG 41 2HG ARG 41 -7.546 -7.363 9.243 330 HG3 ARG 41 3HG ARG 41 -7.700 -8.429 7.843 331 HD2 ARG 41 2HD ARG 41 -8.512 -9.124 10.682 332 HD3 ARG 41 3HD ARG 41 -9.616 -8.620 9.404 333 HE ARG 41 HE ARG 41 -8.148 -11.171 9.562 334 HH11 ARG 41 1HH1 ARG 41 -10.675 -9.264 8.008 335 HH12 ARG 41 2HH1 ARG 41 -11.344 -10.625 7.172 336 HH21 ARG 41 1HH2 ARG 41 -9.051 -12.918 8.491 337 HH22 ARG 41 2HH2 ARG 41 -10.419 -12.692 7.450 338 H ASP 42 H ASP 42 -3.483 -9.918 7.504 339 HA ASP 42 HA ASP 42 -1.608 -10.398 9.604 340 HB2 ASP 42 2HB ASP 42 -2.164 -12.127 7.887 341 HB3 ASP 42 3HB ASP 42 -1.379 -11.148 6.653 342 H ILE 43 H ILE 43 -1.664 -8.188 6.807 343 HA ILE 43 HA ILE 43 1.022 -7.372 6.762 344 HB ILE 43 HB ILE 43 -1.452 -5.658 6.201 345 HG12 ILE 43 2HG1 ILE 43 0.251 -7.344 4.305 346 HG13 ILE 43 3HG1 ILE 43 -1.412 -7.652 4.763 347 HG21 ILE 43 1HG2 ILE 43 0.030 -4.193 4.888 348 HG22 ILE 43 2HG2 ILE 43 1.424 -5.171 5.352 349 HG23 ILE 43 3HG2 ILE 43 0.538 -4.261 6.576 350 HD11 ILE 43 3HD1 ILE 43 -0.399 -5.379 3.077 351 HD12 ILE 43 1HD1 ILE 43 -2.072 -5.574 3.610 352 HD13 ILE 43 2HD1 ILE 43 -1.336 -6.775 2.548 353 H ILE 44 H ILE 44 -1.732 -6.068 8.582 354 HA ILE 44 HA ILE 44 -0.305 -4.047 10.000 355 HB ILE 44 HB ILE 44 -3.039 -5.280 10.564 356 HG12 ILE 44 2HG1 ILE 44 -2.323 -2.727 9.033 357 HG13 ILE 44 3HG1 ILE 44 -2.752 -4.252 8.270 358 HG21 ILE 44 1HG2 ILE 44 -2.154 -4.106 12.564 359 HG22 ILE 44 2HG2 ILE 44 -3.519 -3.222 11.868 360 HG23 ILE 44 3HG2 ILE 44 -1.870 -2.660 11.588 361 HD11 ILE 44 3HD1 ILE 44 -4.600 -2.718 8.239 362 HD12 ILE 44 1HD1 ILE 44 -4.550 -2.564 9.996 363 HD13 ILE 44 2HD1 ILE 44 -4.981 -4.108 9.255 364 H LYS 45 H LYS 45 -1.144 -7.410 10.684 365 HA LYS 45 HA LYS 45 -0.350 -7.589 13.381 366 HB2 LYS 45 2HB LYS 45 -0.449 -9.635 11.146 367 HB3 LYS 45 3HB LYS 45 0.133 -10.071 12.748 368 HG2 LYS 45 2HG LYS 45 -2.013 -9.564 13.749 369 HG3 LYS 45 3HG LYS 45 -2.614 -8.895 12.230 370 HD2 LYS 45 2HD LYS 45 -3.484 -11.192 12.700 371 HD3 LYS 45 3HD LYS 45 -2.593 -11.086 11.181 372 HE2 LYS 45 2HE LYS 45 -2.054 -13.149 12.447 373 HE3 LYS 45 3HE LYS 45 -0.634 -12.126 12.229 374 HZ1 LYS 45 3HZ LYS 45 -0.994 -11.295 14.503 375 HZ2 LYS 45 1HZ LYS 45 -0.710 -12.960 14.460 376 HZ3 LYS 45 2HZ LYS 45 -2.277 -12.378 14.691 377 H SER 46 H SER 46 1.549 -7.802 10.353 378 HA SER 46 HA SER 46 4.046 -8.347 11.660 379 HB2 SER 46 2HB SER 46 3.597 -9.075 9.346 380 HB3 SER 46 3HB SER 46 3.418 -7.401 8.824 381 HG SER 46 HG SER 46 5.800 -7.913 10.116 382 H MET 47 H MET 47 2.361 -5.450 10.493 383 HA MET 47 HA MET 47 4.459 -3.582 10.571 384 HB2 MET 47 2HB MET 47 1.446 -3.277 10.749 385 HB3 MET 47 3HB MET 47 2.506 -1.873 10.818 386 HG2 MET 47 2HG MET 47 2.390 -3.849 8.527 387 HG3 MET 47 3HG MET 47 1.616 -2.265 8.557 388 HE1 MET 47 3HE MET 47 2.884 0.029 8.422 389 HE2 MET 47 1HE MET 47 4.637 0.194 8.497 390 HE3 MET 47 2HE MET 47 3.742 -0.343 9.919 391 H LYS 48 H LYS 48 2.741 -5.012 13.168 392 HA LYS 48 HA LYS 48 2.981 -3.096 15.217 393 HB2 LYS 48 2HB LYS 48 3.093 -6.139 15.375 394 HB3 LYS 48 3HB LYS 48 2.855 -5.068 16.751 395 HG2 LYS 48 2HG LYS 48 0.715 -4.348 15.931 396 HG3 LYS 48 3HG LYS 48 0.958 -5.192 14.398 397 HD2 LYS 48 2HD LYS 48 0.870 -7.354 15.520 398 HD3 LYS 48 3HD LYS 48 0.792 -6.577 17.104 399 HE2 LYS 48 2HE LYS 48 -1.326 -6.304 14.948 400 HE3 LYS 48 3HE LYS 48 -1.405 -7.443 16.295 401 HZ1 LYS 48 3HZ LYS 48 -1.493 -5.670 17.839 402 HZ2 LYS 48 1HZ LYS 48 -2.641 -5.335 16.644 403 HZ3 LYS 48 2HZ LYS 48 -1.166 -4.508 16.656 404 H ASP 49 H ASP 49 5.197 -5.588 14.029 405 HA ASP 49 HA ASP 49 7.348 -4.858 15.861 406 HB2 ASP 49 2HB ASP 49 7.188 -6.957 13.652 407 HB3 ASP 49 3HB ASP 49 8.593 -6.724 14.696 408 H ASN 50 H ASN 50 6.557 -4.644 12.413 409 HA ASN 50 HA ASN 50 9.057 -3.896 11.380 410 HB2 ASN 50 2HB ASN 50 6.322 -3.080 10.277 411 HB3 ASN 50 3HB ASN 50 7.840 -3.022 9.388 412 HD21 ASN 50 1HD2 ASN 50 5.524 -4.338 8.560 413 HD22 ASN 50 2HD2 ASN 50 5.866 -6.030 8.466 414 H GLY 51 H GLY 51 6.300 -1.837 12.380 415 HA2 GLY 51 2HA GLY 51 6.058 0.439 12.524 416 HA3 GLY 51 3HA GLY 51 7.786 0.532 12.866 417 H LYS 52 H LYS 52 8.389 2.199 11.450 418 HA LYS 52 HA LYS 52 9.359 2.969 9.551 419 HB2 LYS 52 2HB LYS 52 8.828 0.170 8.470 420 HB3 LYS 52 3HB LYS 52 9.933 1.327 7.750 421 HG2 LYS 52 2HG LYS 52 10.270 0.029 10.479 422 HG3 LYS 52 3HG LYS 52 11.080 -0.471 9.000 423 HD2 LYS 52 2HD LYS 52 12.757 0.803 9.987 424 HD3 LYS 52 3HD LYS 52 11.987 2.023 8.981 425 HE2 LYS 52 2HE LYS 52 10.769 2.885 10.934 426 HE3 LYS 52 3HE LYS 52 11.454 1.610 11.943 427 HZ1 LYS 52 3HZ LYS 52 12.623 3.721 12.188 428 HZ2 LYS 52 1HZ LYS 52 13.031 3.707 10.547 429 HZ3 LYS 52 2HZ LYS 52 13.640 2.515 11.582 430 HA PRO 53 HA PRO 53 6.104 3.820 6.392 431 HB2 PRO 53 2HB PRO 53 7.537 4.421 4.151 432 HB3 PRO 53 3HB PRO 53 7.458 5.521 5.538 433 HG2 PRO 53 2HG PRO 53 9.657 3.636 4.775 434 HG3 PRO 53 3HG PRO 53 9.763 5.312 5.364 435 HD2 PRO 53 2HD PRO 53 10.121 3.117 6.989 436 HD3 PRO 53 3HD PRO 53 9.546 4.688 7.582 437 H LEU 54 H LEU 54 4.892 2.286 5.409 438 HA LEU 54 HA LEU 54 6.206 0.091 3.891 439 HB2 LEU 54 2HB LEU 54 4.748 -0.391 6.057 440 HB3 LEU 54 3HB LEU 54 3.383 -0.086 4.997 441 HG LEU 54 HG LEU 54 4.390 -1.909 3.445 442 HD11 LEU 54 1HD1 LEU 54 5.970 -2.572 5.937 443 HD12 LEU 54 2HD1 LEU 54 6.629 -1.954 4.419 444 HD13 LEU 54 3HD1 LEU 54 5.871 -3.545 4.465 445 HD21 LEU 54 3HD2 LEU 54 3.349 -3.740 4.655 446 HD22 LEU 54 1HD2 LEU 54 2.367 -2.283 4.780 447 HD23 LEU 54 2HD2 LEU 54 3.357 -2.798 6.147 448 H VAL 55 H VAL 55 4.623 -0.764 2.146 449 HA VAL 55 HA VAL 55 2.882 1.254 0.945 450 HB VAL 55 HB VAL 55 5.155 0.000 -0.681 451 HG11 VAL 55 1HG1 VAL 55 4.302 1.389 -2.547 452 HG12 VAL 55 2HG1 VAL 55 2.972 1.939 -1.527 453 HG13 VAL 55 3HG1 VAL 55 3.086 0.238 -1.989 454 HG21 VAL 55 3HG2 VAL 55 4.776 2.935 0.024 455 HG22 VAL 55 1HG2 VAL 55 6.075 2.250 -0.956 456 HG23 VAL 55 2HG2 VAL 55 5.970 1.864 0.758 457 H VAL 56 H VAL 56 1.099 0.025 1.055 458 HA VAL 56 HA VAL 56 1.134 -2.778 0.154 459 HB VAL 56 HB VAL 56 -0.943 -1.207 1.740 460 HG11 VAL 56 1HG1 VAL 56 -2.266 -3.311 1.874 461 HG12 VAL 56 2HG1 VAL 56 -1.168 -4.066 0.717 462 HG13 VAL 56 3HG1 VAL 56 -2.171 -2.702 0.221 463 HG21 VAL 56 3HG2 VAL 56 1.018 -1.976 3.025 464 HG22 VAL 56 1HG2 VAL 56 0.748 -3.629 2.464 465 HG23 VAL 56 2HG2 VAL 56 -0.436 -2.849 3.516 466 H PHE 57 H PHE 57 0.820 -3.006 -1.921 467 HA PHE 57 HA PHE 57 -0.837 -1.260 -3.560 468 HB2 PHE 57 2HB PHE 57 0.758 -3.800 -4.142 469 HB3 PHE 57 3HB PHE 57 -0.198 -2.967 -5.360 470 HD1 PHE 57 HD1 PHE 57 0.501 -0.770 -6.232 471 HD2 PHE 57 HD2 PHE 57 2.899 -2.850 -3.358 472 HE1 PHE 57 HE1 PHE 57 2.390 0.715 -6.723 473 HE2 PHE 57 HE2 PHE 57 4.783 -1.346 -3.863 474 HZ PHE 57 HZ PHE 57 4.530 0.436 -5.538 475 H VAL 58 H VAL 58 -3.004 -1.575 -3.664 476 HA VAL 58 HA VAL 58 -4.297 -3.956 -2.659 477 HB VAL 58 HB VAL 58 -5.522 -1.615 -4.214 478 HG11 VAL 58 1HG1 VAL 58 -6.972 -3.611 -4.278 479 HG12 VAL 58 2HG1 VAL 58 -7.694 -2.350 -3.278 480 HG13 VAL 58 3HG1 VAL 58 -6.905 -3.734 -2.518 481 HG21 VAL 58 3HG2 VAL 58 -4.469 -0.832 -2.128 482 HG22 VAL 58 1HG2 VAL 58 -5.367 -2.039 -1.204 483 HG23 VAL 58 2HG2 VAL 58 -6.229 -0.726 -2.011 484 H ASN 59 H ASN 59 -3.303 -5.566 -3.986 485 HA ASN 59 HA ASN 59 -4.228 -5.693 -6.800 486 HB2 ASN 59 2HB ASN 59 -1.757 -5.293 -6.519 487 HB3 ASN 59 3HB ASN 59 -1.636 -6.778 -5.584 488 HD21 ASN 59 1HD2 ASN 59 -1.903 -8.796 -6.674 489 HD22 ASN 59 2HD2 ASN 59 -1.698 -8.911 -8.388 490 H GLY 60 H GLY 60 -6.030 -6.939 -6.470 491 HA2 GLY 60 2HA GLY 60 -6.751 -9.291 -6.527 492 HA3 GLY 60 3HA GLY 60 -5.757 -9.571 -5.101 493 H ALA 61 H ALA 61 -6.401 -7.178 -3.708 494 HA ALA 61 HA ALA 61 -8.926 -7.911 -2.494 495 HB1 ALA 61 3HB ALA 61 -6.984 -7.207 -1.139 496 HB2 ALA 61 1HB ALA 61 -8.379 -6.159 -0.854 497 HB3 ALA 61 2HB ALA 61 -7.046 -5.604 -1.873 498 H SER 62 H SER 62 -10.295 -5.810 -1.785 499 HA SER 62 HA SER 62 -10.911 -4.104 -4.102 500 HB2 SER 62 2HB SER 62 -12.915 -5.967 -2.746 501 HB3 SER 62 3HB SER 62 -13.322 -4.763 -3.974 502 HG SER 62 HG SER 62 -11.503 -6.058 -5.156 503 H GLN 63 H GLN 63 -13.020 -2.725 -3.357 504 HA GLN 63 HA GLN 63 -12.006 -0.896 -1.486 505 HB2 GLN 63 2HB GLN 63 -13.419 -0.182 -3.350 506 HB3 GLN 63 3HB GLN 63 -14.784 -1.093 -2.717 507 HG2 GLN 63 2HG GLN 63 -15.014 1.342 -2.309 508 HG3 GLN 63 3HG GLN 63 -14.969 0.412 -0.810 509 HE21 GLN 63 1HE2 GLN 63 -14.300 2.105 0.455 510 HE22 GLN 63 2HE2 GLN 63 -12.731 2.814 0.357 511 H ASN 64 H ASN 64 -14.366 -3.517 -1.048 512 HA ASN 64 HA ASN 64 -15.368 -2.909 1.510 513 HB2 ASN 64 2HB ASN 64 -14.704 -5.657 0.334 514 HB3 ASN 64 3HB ASN 64 -15.618 -5.417 1.821 515 HD21 ASN 64 1HD2 ASN 64 -16.474 -6.788 -0.525 516 HD22 ASN 64 2HD2 ASN 64 -17.880 -5.961 -1.098 517 H ASP 65 H ASP 65 -12.460 -4.571 0.477 518 HA ASP 65 HA ASP 65 -11.554 -5.292 3.126 519 HB2 ASP 65 2HB ASP 65 -9.900 -5.393 0.573 520 HB3 ASP 65 3HB ASP 65 -9.692 -6.350 2.035 521 H VAL 66 H VAL 66 -11.010 -2.703 0.851 522 HA VAL 66 HA VAL 66 -8.712 -1.472 1.943 523 HB VAL 66 HB VAL 66 -11.035 -0.417 0.272 524 HG11 VAL 66 1HG1 VAL 66 -8.619 1.223 1.117 525 HG12 VAL 66 2HG1 VAL 66 -10.286 1.511 1.616 526 HG13 VAL 66 3HG1 VAL 66 -9.827 1.712 -0.075 527 HG21 VAL 66 3HG2 VAL 66 -9.339 -0.286 -1.523 528 HG22 VAL 66 1HG2 VAL 66 -9.428 -1.919 -0.856 529 HG23 VAL 66 2HG2 VAL 66 -8.099 -0.851 -0.401 530 H ASN 67 H ASN 67 -12.197 -0.954 2.527 531 HA ASN 67 HA ASN 67 -12.013 1.020 4.533 532 HB2 ASN 67 2HB ASN 67 -14.172 -1.080 4.047 533 HB3 ASN 67 3HB ASN 67 -14.346 0.259 5.181 534 HD21 ASN 67 1HD2 ASN 67 -15.893 -0.406 2.805 535 HD22 ASN 67 2HD2 ASN 67 -15.833 0.988 1.794 536 H GLU 68 H GLU 68 -12.068 -2.508 4.673 537 HA GLU 68 HA GLU 68 -12.130 -2.821 7.488 538 HB2 GLU 68 2HB GLU 68 -11.189 -4.718 5.307 539 HB3 GLU 68 3HB GLU 68 -11.445 -5.176 6.989 540 HG2 GLU 68 2HG GLU 68 -13.858 -4.504 6.731 541 HG3 GLU 68 3HG GLU 68 -13.542 -4.239 5.019 542 H PHE 69 H PHE 69 -9.491 -2.491 5.152 543 HA PHE 69 HA PHE 69 -7.276 -3.095 6.788 544 HB2 PHE 69 2HB PHE 69 -6.890 -2.894 4.407 545 HB3 PHE 69 3HB PHE 69 -7.562 -1.270 4.357 546 HD1 PHE 69 HD1 PHE 69 -4.652 -3.228 5.720 547 HD2 PHE 69 HD2 PHE 69 -6.113 0.617 4.540 548 HE1 PHE 69 HE1 PHE 69 -2.401 -2.288 5.982 549 HE2 PHE 69 HE2 PHE 69 -3.855 1.547 4.810 550 HZ PHE 69 HZ PHE 69 -2.004 0.098 5.530 551 H GLN 70 H GLN 70 -8.747 0.016 5.932 552 HA GLN 70 HA GLN 70 -7.255 1.701 7.548 553 HB2 GLN 70 2HB GLN 70 -10.142 2.024 6.628 554 HB3 GLN 70 3HB GLN 70 -9.124 3.328 7.246 555 HG2 GLN 70 2HG GLN 70 -7.553 2.986 5.348 556 HG3 GLN 70 3HG GLN 70 -8.598 1.708 4.729 557 HE21 GLN 70 1HE2 GLN 70 -8.949 2.788 2.771 558 HE22 GLN 70 2HE2 GLN 70 -9.932 4.204 2.659 559 H ASN 71 H ASN 71 -10.156 -0.162 8.344 560 HA ASN 71 HA ASN 71 -10.633 0.909 10.929 561 HB2 ASN 71 2HB ASN 71 -11.432 -1.743 9.656 562 HB3 ASN 71 3HB ASN 71 -11.919 -1.302 11.295 563 HD21 ASN 71 1HD2 ASN 71 -13.540 -1.738 8.864 564 HD22 ASN 71 2HD2 ASN 71 -14.468 -0.296 8.676 565 H GLU 72 H GLU 72 -9.089 -2.244 10.053 566 HA GLU 72 HA GLU 72 -8.180 -2.827 12.609 567 HB2 GLU 72 2HB GLU 72 -6.925 -3.796 10.016 568 HB3 GLU 72 3HB GLU 72 -6.728 -4.536 11.602 569 HG2 GLU 72 2HG GLU 72 -9.221 -4.441 9.891 570 HG3 GLU 72 3HG GLU 72 -8.314 -5.861 10.394 571 H ALA 73 H ALA 73 -6.608 -0.817 10.169 572 HA ALA 73 HA ALA 73 -4.148 -0.458 11.495 573 HB1 ALA 73 3HB ALA 73 -4.510 0.081 9.124 574 HB2 ALA 73 1HB ALA 73 -3.871 1.470 10.007 575 HB3 ALA 73 2HB ALA 73 -5.584 1.406 9.580 576 H LYS 74 H LYS 74 -6.997 1.734 11.385 577 HA LYS 74 HA LYS 74 -5.916 3.694 13.085 578 HB2 LYS 74 2HB LYS 74 -8.077 4.760 13.047 579 HB3 LYS 74 3HB LYS 74 -7.794 4.053 11.461 580 HG2 LYS 74 2HG LYS 74 -9.217 2.083 12.198 581 HG3 LYS 74 3HG LYS 74 -9.635 3.011 13.636 582 HD2 LYS 74 2HD LYS 74 -10.216 3.808 10.757 583 HD3 LYS 74 3HD LYS 74 -11.385 3.165 11.908 584 HE2 LYS 74 2HE LYS 74 -10.978 5.187 13.354 585 HE3 LYS 74 3HE LYS 74 -9.954 5.839 12.070 586 HZ1 LYS 74 3HZ LYS 74 -11.867 5.769 10.578 587 HZ2 LYS 74 1HZ LYS 74 -12.193 6.726 11.936 588 HZ3 LYS 74 2HZ LYS 74 -12.840 5.166 11.817 589 H LYS 75 H LYS 75 -7.662 0.736 13.941 590 HA LYS 75 HA LYS 75 -8.303 1.515 16.634 591 HB2 LYS 75 2HB LYS 75 -8.946 -0.797 16.978 592 HB3 LYS 75 3HB LYS 75 -9.493 -0.298 15.383 593 HG2 LYS 75 2HG LYS 75 -7.415 -1.418 14.441 594 HG3 LYS 75 3HG LYS 75 -7.149 -2.097 16.047 595 HD2 LYS 75 2HD LYS 75 -9.605 -2.547 14.309 596 HD3 LYS 75 3HD LYS 75 -8.280 -3.684 14.522 597 HE2 LYS 75 2HE LYS 75 -8.845 -3.914 16.903 598 HE3 LYS 75 3HE LYS 75 -10.159 -2.748 16.710 599 HZ1 LYS 75 3HZ LYS 75 -9.963 -5.356 15.289 600 HZ2 LYS 75 1HZ LYS 75 -11.231 -4.245 15.155 601 HZ3 LYS 75 2HZ LYS 75 -10.962 -5.040 16.621 602 H GLU 76 H GLU 76 -5.474 0.111 15.094 603 HA GLU 76 HA GLU 76 -4.102 -0.377 17.643 604 HB2 GLU 76 2HB GLU 76 -3.181 -0.784 14.772 605 HB3 GLU 76 3HB GLU 76 -2.300 -1.304 16.207 606 HG2 GLU 76 2HG GLU 76 -4.976 -2.335 15.231 607 HG3 GLU 76 3HG GLU 76 -3.440 -3.196 15.216 608 H GLY 77 H GLY 77 -4.651 2.259 15.722 609 HA2 GLY 77 2HA GLY 77 -3.752 4.369 15.748 610 HA3 GLY 77 3HA GLY 77 -2.439 3.792 16.756 611 H VAL 78 H VAL 78 -2.694 1.822 14.028 612 HA VAL 78 HA VAL 78 -0.268 2.706 12.855 613 HB VAL 78 HB VAL 78 -2.414 0.880 11.664 614 HG11 VAL 78 1HG1 VAL 78 -0.912 1.739 9.901 615 HG12 VAL 78 2HG1 VAL 78 -0.644 0.015 10.165 616 HG13 VAL 78 3HG1 VAL 78 0.494 1.196 10.820 617 HG21 VAL 78 3HG2 VAL 78 -0.996 -0.997 12.441 618 HG22 VAL 78 1HG2 VAL 78 -1.551 -0.000 13.790 619 HG23 VAL 78 2HG2 VAL 78 0.105 0.154 13.202 620 H SER 79 H SER 79 0.067 4.313 11.435 621 HA SER 79 HA SER 79 -2.121 5.940 10.447 622 HB2 SER 79 2HB SER 79 0.890 6.220 10.067 623 HB3 SER 79 3HB SER 79 -0.319 7.451 9.689 624 HG SER 79 HG SER 79 0.835 6.836 12.063 625 H TYR 80 H TYR 80 -2.419 6.435 8.202 626 HA TYR 80 HA TYR 80 -1.192 4.806 6.145 627 HB2 TYR 80 2HB TYR 80 -3.411 3.857 5.358 628 HB3 TYR 80 3HB TYR 80 -2.840 3.191 6.882 629 HD1 TYR 80 HD1 TYR 80 -4.006 3.755 9.021 630 HD2 TYR 80 HD2 TYR 80 -5.493 5.200 5.276 631 HE1 TYR 80 HE1 TYR 80 -6.146 4.317 10.089 632 HE2 TYR 80 HE2 TYR 80 -7.630 5.757 6.348 633 HH TYR 80 HH TYR 80 -8.046 5.796 9.733 634 H ASP 81 H ASP 81 -1.273 5.780 4.205 635 HA ASP 81 HA ASP 81 -2.961 8.179 3.798 636 HB2 ASP 81 2HB ASP 81 -0.267 7.384 2.594 637 HB3 ASP 81 3HB ASP 81 -1.228 8.722 1.976 638 H VAL 82 H VAL 82 -4.611 7.855 2.474 639 HA VAL 82 HA VAL 82 -4.796 5.514 0.749 640 HB VAL 82 HB VAL 82 -6.839 7.736 1.284 641 HG11 VAL 82 1HG1 VAL 82 -8.505 6.219 0.260 642 HG12 VAL 82 2HG1 VAL 82 -7.229 5.057 -0.099 643 HG13 VAL 82 3HG1 VAL 82 -7.232 6.631 -0.895 644 HG21 VAL 82 3HG2 VAL 82 -6.676 4.928 2.456 645 HG22 VAL 82 1HG2 VAL 82 -7.973 6.088 2.754 646 HG23 VAL 82 2HG2 VAL 82 -6.336 6.424 3.326 647 H LEU 83 H LEU 83 -3.744 5.689 -1.107 648 HA LEU 83 HA LEU 83 -3.604 8.224 -2.621 649 HB2 LEU 83 2HB LEU 83 -1.462 7.161 -2.030 650 HB3 LEU 83 3HB LEU 83 -1.979 5.646 -2.749 651 HG LEU 83 HG LEU 83 -1.978 6.757 -5.008 652 HD11 LEU 83 1HD1 LEU 83 -0.889 8.923 -5.326 653 HD12 LEU 83 2HD1 LEU 83 -0.749 9.127 -3.579 654 HD13 LEU 83 3HD1 LEU 83 -2.342 9.076 -4.338 655 HD21 LEU 83 3HD2 LEU 83 -0.051 5.441 -4.289 656 HD22 LEU 83 1HD2 LEU 83 0.665 6.862 -3.524 657 HD23 LEU 83 2HD2 LEU 83 0.467 6.805 -5.278 658 H LYS 84 H LYS 84 -5.131 8.371 -4.218 659 HA LYS 84 HA LYS 84 -5.790 5.940 -5.792 660 HB2 LYS 84 2HB LYS 84 -7.692 8.206 -5.051 661 HB3 LYS 84 3HB LYS 84 -8.062 6.922 -6.199 662 HG2 LYS 84 2HG LYS 84 -7.740 5.252 -4.350 663 HG3 LYS 84 3HG LYS 84 -7.549 6.598 -3.224 664 HD2 LYS 84 2HD LYS 84 -9.846 7.373 -3.787 665 HD3 LYS 84 3HD LYS 84 -10.027 6.014 -4.900 666 HE2 LYS 84 2HE LYS 84 -9.790 4.445 -3.013 667 HE3 LYS 84 3HE LYS 84 -9.603 5.802 -1.901 668 HZ1 LYS 84 3HZ LYS 84 -11.846 4.944 -1.879 669 HZ2 LYS 84 1HZ LYS 84 -12.012 5.226 -3.538 670 HZ3 LYS 84 2HZ LYS 84 -11.836 6.525 -2.472 671 H SER 85 H SER 85 -4.716 6.149 -7.588 672 HA SER 85 HA SER 85 -5.224 8.343 -9.412 673 HB2 SER 85 2HB SER 85 -3.295 9.267 -8.183 674 HB3 SER 85 3HB SER 85 -2.366 7.800 -8.481 675 HG SER 85 HG SER 85 -1.897 9.558 -9.929 676 H THR 86 H THR 86 -5.019 7.717 -11.511 677 HA THR 86 HA THR 86 -4.047 4.982 -12.113 678 HB THR 86 HB THR 86 -5.501 5.163 -14.181 679 HG1 THR 86 HG1 THR 86 -5.711 7.429 -14.303 680 HG21 THR 86 3HG2 THR 86 -6.987 5.489 -11.539 681 HG22 THR 86 1HG2 THR 86 -6.383 3.971 -12.211 682 HG23 THR 86 2HG2 THR 86 -7.683 4.842 -13.027 683 H ASP 87 H ASP 87 -1.858 5.616 -12.307 684 HA ASP 87 HA ASP 87 -1.004 6.947 -14.665 685 HB2 ASP 87 2HB ASP 87 -1.752 8.918 -13.210 686 HB3 ASP 87 3HB ASP 87 -0.444 8.505 -12.106 687 HA PRO 88 HA PRO 88 2.121 3.942 -13.419 688 HB2 PRO 88 2HB PRO 88 3.937 4.455 -15.476 689 HB3 PRO 88 3HB PRO 88 2.495 3.435 -15.640 690 HG2 PRO 88 2HG PRO 88 2.836 6.324 -16.383 691 HG3 PRO 88 3HG PRO 88 2.068 5.010 -17.305 692 HD2 PRO 88 2HD PRO 88 0.562 6.759 -15.959 693 HD3 PRO 88 3HD PRO 88 0.124 5.032 -15.980 694 H GLU 89 H GLU 89 3.123 7.330 -14.155 695 HA GLU 89 HA GLU 89 5.737 6.800 -12.894 696 HB2 GLU 89 2HB GLU 89 6.486 8.945 -13.761 697 HB3 GLU 89 3HB GLU 89 5.796 7.972 -15.051 698 HG2 GLU 89 2HG GLU 89 3.798 9.331 -15.102 699 HG3 GLU 89 3HG GLU 89 4.299 10.212 -13.658 700 H GLU 90 H GLU 90 2.730 8.527 -12.283 701 HA GLU 90 HA GLU 90 3.725 10.133 -10.123 702 HB2 GLU 90 2HB GLU 90 1.670 10.764 -11.384 703 HB3 GLU 90 3HB GLU 90 0.830 9.368 -10.709 704 HG2 GLU 90 2HG GLU 90 1.014 10.285 -8.451 705 HG3 GLU 90 3HG GLU 90 2.017 11.614 -9.029 706 H LEU 91 H LEU 91 1.912 7.053 -10.340 707 HA LEU 91 HA LEU 91 1.699 6.580 -7.553 708 HB2 LEU 91 2HB LEU 91 1.742 4.613 -9.870 709 HB3 LEU 91 3HB LEU 91 1.457 4.122 -8.209 710 HG LEU 91 HG LEU 91 -0.338 5.965 -9.850 711 HD11 LEU 91 1HD1 LEU 91 -0.453 3.606 -10.543 712 HD12 LEU 91 2HD1 LEU 91 -1.954 4.132 -9.790 713 HD13 LEU 91 3HD1 LEU 91 -0.817 3.127 -8.884 714 HD21 LEU 91 3HD2 LEU 91 -1.902 5.880 -7.967 715 HD22 LEU 91 1HD2 LEU 91 -0.371 6.601 -7.471 716 HD23 LEU 91 2HD2 LEU 91 -0.747 4.935 -7.022 717 H THR 92 H THR 92 4.267 5.776 -9.891 718 HA THR 92 HA THR 92 5.894 4.194 -8.207 719 HB THR 92 HB THR 92 6.741 5.876 -10.604 720 HG1 THR 92 HG1 THR 92 5.094 4.004 -10.698 721 HG21 THR 92 3HG2 THR 92 8.706 5.186 -9.231 722 HG22 THR 92 1HG2 THR 92 8.672 4.343 -10.785 723 HG23 THR 92 2HG2 THR 92 8.160 3.510 -9.318 724 H GLN 93 H GLN 93 5.971 7.718 -8.929 725 HA GLN 93 HA GLN 93 8.298 8.169 -7.350 726 HB2 GLN 93 2HB GLN 93 8.012 10.525 -7.688 727 HB3 GLN 93 3HB GLN 93 7.676 9.695 -9.197 728 HG2 GLN 93 2HG GLN 93 5.314 10.077 -8.976 729 HG3 GLN 93 3HG GLN 93 5.501 10.697 -7.337 730 HE21 GLN 93 1HE2 GLN 93 6.037 11.381 -10.725 731 HE22 GLN 93 2HE2 GLN 93 6.261 13.085 -10.536 732 H ARG 94 H ARG 94 4.845 8.122 -6.616 733 HA ARG 94 HA ARG 94 4.993 9.470 -4.103 734 HB2 ARG 94 2HB ARG 94 2.942 7.460 -5.130 735 HB3 ARG 94 3HB ARG 94 2.776 8.347 -3.619 736 HG2 ARG 94 2HG ARG 94 2.821 9.527 -6.409 737 HG3 ARG 94 3HG ARG 94 1.426 9.391 -5.346 738 HD2 ARG 94 2HD ARG 94 2.422 10.988 -3.787 739 HD3 ARG 94 3HD ARG 94 3.893 11.070 -4.764 740 HE ARG 94 HE ARG 94 1.228 11.994 -5.671 741 HH11 ARG 94 1HH1 ARG 94 4.720 12.394 -5.634 742 HH12 ARG 94 2HH1 ARG 94 4.682 13.820 -6.621 743 HH21 ARG 94 1HH2 ARG 94 1.183 13.869 -6.920 744 HH22 ARG 94 2HH2 ARG 94 2.667 14.660 -7.352 745 H VAL 95 H VAL 95 5.181 6.062 -5.062 746 HA VAL 95 HA VAL 95 5.345 4.873 -2.521 747 HB VAL 95 HB VAL 95 6.454 3.966 -5.215 748 HG11 VAL 95 1HG1 VAL 95 6.620 1.682 -4.251 749 HG12 VAL 95 2HG1 VAL 95 6.241 2.337 -2.666 750 HG13 VAL 95 3HG1 VAL 95 7.731 2.811 -3.475 751 HG21 VAL 95 3HG2 VAL 95 3.990 4.158 -5.127 752 HG22 VAL 95 1HG2 VAL 95 3.950 3.096 -3.720 753 HG23 VAL 95 2HG2 VAL 95 4.487 2.473 -5.282 754 H ARG 96 H ARG 96 7.944 5.941 -4.762 755 HA ARG 96 HA ARG 96 10.038 5.056 -3.065 756 HB2 ARG 96 2HB ARG 96 11.605 6.098 -4.595 757 HB3 ARG 96 3HB ARG 96 10.368 5.239 -5.498 758 HG2 ARG 96 2HG ARG 96 9.262 7.360 -6.035 759 HG3 ARG 96 3HG ARG 96 10.463 8.242 -5.091 760 HD2 ARG 96 2HD ARG 96 11.052 6.582 -7.571 761 HD3 ARG 96 3HD ARG 96 10.911 8.342 -7.528 762 HE ARG 96 HE ARG 96 12.867 7.472 -5.663 763 HH11 ARG 96 1HH1 ARG 96 12.451 7.872 -9.148 764 HH12 ARG 96 2HH1 ARG 96 14.147 8.090 -9.436 765 HH21 ARG 96 1HH2 ARG 96 15.071 7.766 -6.068 766 HH22 ARG 96 2HH2 ARG 96 15.632 8.030 -7.688 767 H GLU 97 H GLU 97 8.571 8.300 -3.551 768 HA GLU 97 HA GLU 97 10.478 9.688 -1.949 769 HB2 GLU 97 2HB GLU 97 9.036 11.620 -2.079 770 HB3 GLU 97 3HB GLU 97 9.017 10.824 -3.646 771 HG2 GLU 97 2HG GLU 97 6.811 9.788 -3.026 772 HG3 GLU 97 3HG GLU 97 6.825 10.741 -1.546 773 H PHE 98 H PHE 98 7.359 8.098 -1.241 774 HA PHE 98 HA PHE 98 6.969 8.916 1.412 775 HB2 PHE 98 2HB PHE 98 5.276 7.763 -0.025 776 HB3 PHE 98 3HB PHE 98 6.211 6.279 0.063 777 HD1 PHE 98 HD1 PHE 98 4.076 8.631 1.991 778 HD2 PHE 98 HD2 PHE 98 6.033 4.821 2.000 779 HE1 PHE 98 HE1 PHE 98 2.800 7.966 3.987 780 HE2 PHE 98 HE2 PHE 98 4.754 4.180 3.994 781 HZ PHE 98 HZ PHE 98 3.143 5.742 4.981 782 H LEU 99 H LEU 99 8.729 6.116 0.056 783 HA LEU 99 HA LEU 99 9.491 5.010 2.580 784 HB2 LEU 99 2HB LEU 99 10.629 4.545 -0.197 785 HB3 LEU 99 3HB LEU 99 11.041 3.586 1.218 786 HG LEU 99 HG LEU 99 8.278 3.777 -0.047 787 HD11 LEU 99 1HD1 LEU 99 10.247 1.475 -0.038 788 HD12 LEU 99 2HD1 LEU 99 9.801 2.471 -1.425 789 HD13 LEU 99 3HD1 LEU 99 8.599 1.424 -0.673 790 HD21 LEU 99 3HD2 LEU 99 8.058 3.503 2.361 791 HD22 LEU 99 1HD2 LEU 99 9.193 2.149 2.348 792 HD23 LEU 99 2HD2 LEU 99 7.624 2.002 1.552 793 H LYS 100 H LYS 100 10.733 7.625 0.739 794 HA LYS 100 HA LYS 100 13.382 7.609 1.979 795 HB2 LYS 100 2HB LYS 100 12.088 9.475 -0.041 796 HB3 LYS 100 3HB LYS 100 13.705 9.719 0.612 797 HG2 LYS 100 2HG LYS 100 14.409 7.530 -0.334 798 HG3 LYS 100 3HG LYS 100 12.795 7.321 -1.020 799 HD2 LYS 100 2HD LYS 100 14.308 8.144 -2.759 800 HD3 LYS 100 3HD LYS 100 13.123 9.392 -2.372 801 HE2 LYS 100 2HE LYS 100 14.871 10.447 -0.855 802 HE3 LYS 100 3HE LYS 100 16.030 9.282 -1.498 803 HZ1 LYS 100 3HZ LYS 100 15.646 10.189 -3.704 804 HZ2 LYS 100 1HZ LYS 100 16.170 11.393 -2.642 805 HZ3 LYS 100 2HZ LYS 100 14.541 11.304 -3.085 806 H THR 101 H THR 101 10.245 9.256 2.446 807 HA THR 101 HA THR 101 11.566 11.211 4.252 808 HB THR 101 HB THR 101 10.423 12.245 2.311 809 HG1 THR 101 HG1 THR 101 10.296 12.984 4.803 810 HG21 THR 101 3HG2 THR 101 7.827 11.240 3.544 811 HG22 THR 101 1HG2 THR 101 8.512 10.680 2.014 812 HG23 THR 101 2HG2 THR 101 7.972 12.348 2.181 813 H ALA 102 H ALA 102 8.745 9.033 4.056 814 HA ALA 102 HA ALA 102 7.437 9.886 6.379 815 HB1 ALA 102 3HB ALA 102 6.134 7.791 6.218 816 HB2 ALA 102 1HB ALA 102 7.280 7.192 5.019 817 HB3 ALA 102 2HB ALA 102 6.299 8.610 4.666 818 H GLY 103 H GLY 103 10.116 7.625 6.091 819 HA2 GLY 103 2HA GLY 103 9.956 6.825 8.924 820 HA3 GLY 103 3HA GLY 103 11.109 6.254 7.728 821 H SER 104 H SER 104 10.822 9.607 7.629 822 HA SER 104 HA SER 104 13.007 10.133 9.540 823 HB2 SER 104 2HB SER 104 13.007 10.953 6.591 824 HB3 SER 104 3HB SER 104 14.214 11.444 7.782 825 HG SER 104 HG SER 104 15.132 9.714 6.917 826 H LEU 105 H LEU 105 9.985 10.708 9.167 827 HA LEU 105 HA LEU 105 9.679 13.519 8.818 828 HB2 LEU 105 2HB LEU 105 7.849 11.511 10.183 829 HB3 LEU 105 3HB LEU 105 7.413 13.179 9.869 830 HG LEU 105 HG LEU 105 7.937 11.040 7.778 831 HD11 LEU 105 1HD1 LEU 105 5.353 12.426 8.547 832 HD12 LEU 105 2HD1 LEU 105 5.791 10.752 8.900 833 HD13 LEU 105 3HD1 LEU 105 5.564 11.265 7.232 834 HD21 LEU 105 3HD2 LEU 105 8.725 13.194 6.940 835 HD22 LEU 105 1HD2 LEU 105 7.178 13.944 7.342 836 HD23 LEU 105 2HD2 LEU 105 7.265 12.694 6.096 837 H GLU 106 H GLU 106 11.109 14.610 10.169 838 HA GLU 106 HA GLU 106 10.994 14.494 13.032 839 HB2 GLU 106 2HB GLU 106 11.963 16.987 12.728 840 HB3 GLU 106 3HB GLU 106 12.952 15.566 12.442 841 HG2 GLU 106 2HG GLU 106 13.332 17.253 10.716 842 HG3 GLU 106 3HG GLU 106 12.644 15.787 10.028 843 H HIS 107 H HIS 107 9.090 16.092 10.559 844 HA HIS 107 HA HIS 107 7.335 17.327 12.546 845 HB2 HIS 107 2HB HIS 107 6.190 18.377 10.716 846 HB3 HIS 107 3HB HIS 107 7.904 18.482 10.353 847 HD1 HIS 107 HD1 HIS 107 4.733 17.578 8.869 848 HD2 HIS 107 HD2 HIS 107 8.685 16.469 8.273 849 HE1 HIS 107 HE1 HIS 107 4.806 16.489 6.617 850 HE2 HIS 107 HE2 HIS 107 7.168 15.726 6.337 851 H HIS 108 H HIS 108 6.174 15.853 13.653 852 HA HIS 108 HA HIS 108 5.092 13.468 12.368 853 HB2 HIS 108 2HB HIS 108 4.182 12.943 14.700 854 HB3 HIS 108 3HB HIS 108 5.929 12.993 14.532 855 HD1 HIS 108 HD1 HIS 108 3.110 15.227 15.789 856 HD2 HIS 108 HD2 HIS 108 7.165 14.559 16.390 857 HE1 HIS 108 HE1 HIS 108 3.769 16.712 17.700 858 HE2 HIS 108 HE2 HIS 108 6.252 16.409 17.928 859 H HIS 109 H HIS 109 3.926 14.859 10.880 860 HA HIS 109 HA HIS 109 1.143 14.813 11.232 861 HB2 HIS 109 2HB HIS 109 0.628 17.282 11.037 862 HB3 HIS 109 3HB HIS 109 1.316 16.831 12.595 863 HD1 HIS 109 HD1 HIS 109 2.059 18.832 9.496 864 HD2 HIS 109 HD2 HIS 109 3.841 17.957 13.146 865 HE1 HIS 109 HE1 HIS 109 3.933 20.476 9.752 866 HE2 HIS 109 HE2 HIS 109 4.841 20.059 12.040 867 H HIS 110 H HIS 110 0.157 14.958 9.204 868 HA HIS 110 HA HIS 110 1.853 14.551 6.957 869 HB2 HIS 110 2HB HIS 110 -0.336 13.420 7.222 870 HB3 HIS 110 3HB HIS 110 -1.172 14.957 7.027 871 HD1 HIS 110 HD1 HIS 110 -1.809 15.549 4.679 872 HD2 HIS 110 HD2 HIS 110 1.121 12.609 4.778 873 HE1 HIS 110 HE1 HIS 110 -1.505 14.817 2.304 874 HE2 HIS 110 HE2 HIS 110 0.296 13.076 2.382 875 H HIS 111 H HIS 111 -0.331 17.224 7.856 876 HA HIS 111 HA HIS 111 1.405 19.112 6.468 877 HB2 HIS 111 2HB HIS 111 -0.288 18.542 4.730 878 HB3 HIS 111 3HB HIS 111 -1.587 18.977 5.837 879 HD1 HIS 111 HD1 HIS 111 -2.483 21.269 5.360 880 HD2 HIS 111 HD2 HIS 111 1.549 20.970 4.381 881 HE1 HIS 111 HE1 HIS 111 -1.837 23.509 4.439 882 HE2 HIS 111 HE2 HIS 111 0.633 23.357 4.043 883 H HIS 112 H HIS 112 -1.937 19.424 7.739 884 HA HIS 112 HA HIS 112 -1.255 20.178 10.367 885 HB2 HIS 112 2HB HIS 112 -0.380 22.240 9.227 886 HB3 HIS 112 3HB HIS 112 -1.992 22.553 8.596 887 HD1 HIS 112 HD1 HIS 112 -3.139 24.328 9.935 888 HD2 HIS 112 HD2 HIS 112 -0.630 22.010 12.307 889 HE1 HIS 112 HE1 HIS 112 -3.285 25.302 12.244 890 HE2 HIS 112 HE2 HIS 112 -1.954 23.740 13.684 Start of MODEL 14 1 H1 MET 1 1H MET 1 9.298 3.380 13.480 2 H2 MET 1 2H MET 1 9.778 4.981 13.720 3 H3 MET 1 3H MET 1 9.785 4.322 12.164 4 HA MET 1 HA MET 1 7.389 4.725 13.830 5 HB2 MET 1 2HB MET 1 8.424 6.858 13.148 6 HB3 MET 1 3HB MET 1 8.474 6.329 11.476 7 HG2 MET 1 2HG MET 1 5.903 6.717 13.013 8 HG3 MET 1 3HG MET 1 6.662 7.984 12.056 9 HE1 MET 1 3HE MET 1 6.456 6.423 8.452 10 HE2 MET 1 1HE MET 1 7.788 6.250 9.591 11 HE3 MET 1 2HE MET 1 6.989 7.814 9.399 12 H GLY 2 H GLY 2 5.507 3.810 12.990 13 HA2 GLY 2 2HA GLY 2 5.882 1.977 10.682 14 HA3 GLY 2 3HA GLY 2 4.877 1.644 12.080 15 H LYS 3 H LYS 3 5.112 3.324 9.048 16 HA LYS 3 HA LYS 3 2.207 3.940 9.097 17 HB2 LYS 3 2HB LYS 3 3.465 6.014 9.475 18 HB3 LYS 3 3HB LYS 3 4.457 5.706 8.054 19 HG2 LYS 3 2HG LYS 3 2.421 5.918 6.631 20 HG3 LYS 3 3HG LYS 3 1.479 6.312 8.072 21 HD2 LYS 3 2HD LYS 3 3.831 7.906 6.990 22 HD3 LYS 3 3HD LYS 3 2.130 8.340 6.822 23 HE2 LYS 3 2HE LYS 3 1.988 8.460 9.330 24 HE3 LYS 3 3HE LYS 3 3.736 8.209 9.389 25 HZ1 LYS 3 3HZ LYS 3 3.097 10.559 9.492 26 HZ2 LYS 3 1HZ LYS 3 2.392 10.436 7.965 27 HZ3 LYS 3 2HZ LYS 3 4.058 10.225 8.144 28 H VAL 4 H VAL 4 1.124 3.525 7.186 29 HA VAL 4 HA VAL 4 2.649 2.221 4.992 30 HB VAL 4 HB VAL 4 -0.335 1.875 5.584 31 HG11 VAL 4 1HG1 VAL 4 1.548 0.238 3.843 32 HG12 VAL 4 2HG1 VAL 4 0.315 1.361 3.265 33 HG13 VAL 4 3HG1 VAL 4 -0.161 -0.105 4.122 34 HG21 VAL 4 3HG2 VAL 4 0.177 -0.291 6.623 35 HG22 VAL 4 1HG2 VAL 4 0.956 1.022 7.511 36 HG23 VAL 4 2HG2 VAL 4 1.908 0.002 6.429 37 H LEU 5 H LEU 5 2.303 2.883 2.877 38 HA LEU 5 HA LEU 5 0.369 5.034 2.292 39 HB2 LEU 5 2HB LEU 5 2.706 5.392 1.523 40 HB3 LEU 5 3HB LEU 5 2.649 3.886 0.619 41 HG LEU 5 HG LEU 5 0.832 4.862 -0.825 42 HD11 LEU 5 1HD1 LEU 5 -0.119 6.501 0.690 43 HD12 LEU 5 2HD1 LEU 5 0.414 7.288 -0.795 44 HD13 LEU 5 3HD1 LEU 5 1.383 7.436 0.674 45 HD21 LEU 5 3HD2 LEU 5 3.417 6.447 -0.786 46 HD22 LEU 5 1HD2 LEU 5 2.292 6.331 -2.144 47 HD23 LEU 5 2HD2 LEU 5 3.153 4.897 -1.589 48 H LEU 6 H LEU 6 -1.565 4.246 1.679 49 HA LEU 6 HA LEU 6 -1.876 1.505 0.712 50 HB2 LEU 6 2HB LEU 6 -3.278 2.445 2.599 51 HB3 LEU 6 3HB LEU 6 -3.969 3.597 1.469 52 HG LEU 6 HG LEU 6 -4.923 1.661 0.157 53 HD11 LEU 6 1HD1 LEU 6 -3.924 -0.018 2.473 54 HD12 LEU 6 2HD1 LEU 6 -3.364 -0.090 0.800 55 HD13 LEU 6 3HD1 LEU 6 -5.013 -0.566 1.196 56 HD21 LEU 6 3HD2 LEU 6 -6.311 2.888 1.775 57 HD22 LEU 6 1HD2 LEU 6 -5.793 1.801 3.067 58 HD23 LEU 6 2HD2 LEU 6 -6.761 1.185 1.723 59 H VAL 7 H VAL 7 -1.282 1.535 -1.447 60 HA VAL 7 HA VAL 7 -2.128 3.674 -3.257 61 HB VAL 7 HB VAL 7 -0.399 1.195 -3.751 62 HG11 VAL 7 1HG1 VAL 7 -1.507 1.824 -5.845 63 HG12 VAL 7 2HG1 VAL 7 0.206 2.237 -5.926 64 HG13 VAL 7 3HG1 VAL 7 -0.991 3.504 -5.646 65 HG21 VAL 7 3HG2 VAL 7 0.687 2.823 -2.271 66 HG22 VAL 7 1HG2 VAL 7 0.388 4.117 -3.438 67 HG23 VAL 7 2HG2 VAL 7 1.487 2.797 -3.844 68 H ILE 8 H ILE 8 -4.113 3.535 -4.019 69 HA ILE 8 HA ILE 8 -5.408 0.938 -4.631 70 HB ILE 8 HB ILE 8 -6.743 3.628 -4.037 71 HG12 ILE 8 2HG1 ILE 8 -6.466 1.267 -2.124 72 HG13 ILE 8 3HG1 ILE 8 -5.458 2.707 -2.061 73 HG21 ILE 8 1HG2 ILE 8 -7.966 0.845 -4.172 74 HG22 ILE 8 2HG2 ILE 8 -8.150 2.110 -5.388 75 HG23 ILE 8 3HG2 ILE 8 -8.825 2.335 -3.773 76 HD11 ILE 8 3HD1 ILE 8 -8.439 2.622 -1.649 77 HD12 ILE 8 1HD1 ILE 8 -7.422 4.065 -1.592 78 HD13 ILE 8 2HD1 ILE 8 -7.200 2.783 -0.404 79 H SER 9 H SER 9 -5.996 0.607 -6.729 80 HA SER 9 HA SER 9 -6.488 2.765 -8.611 81 HB2 SER 9 2HB SER 9 -4.016 2.554 -8.739 82 HB3 SER 9 3HB SER 9 -4.165 0.824 -9.018 83 HG SER 9 HG SER 9 -4.373 2.899 -10.761 84 H THR 10 H THR 10 -7.801 2.077 -10.281 85 HA THR 10 HA THR 10 -9.064 -0.527 -10.056 86 HB THR 10 HB THR 10 -9.578 1.679 -12.111 87 HG1 THR 10 HG1 THR 10 -10.472 1.331 -9.440 88 HG21 THR 10 3HG2 THR 10 -11.433 -0.516 -11.087 89 HG22 THR 10 1HG2 THR 10 -10.674 -0.484 -12.684 90 HG23 THR 10 2HG2 THR 10 -11.859 0.746 -12.244 91 H ASP 11 H ASP 11 -6.306 0.596 -11.612 92 HA ASP 11 HA ASP 11 -6.526 -1.197 -13.953 93 HB2 ASP 11 2HB ASP 11 -4.694 1.162 -13.396 94 HB3 ASP 11 3HB ASP 11 -4.509 0.097 -14.787 95 H THR 12 H THR 12 -5.978 -3.142 -13.167 96 HA THR 12 HA THR 12 -4.024 -3.971 -11.394 97 HB THR 12 HB THR 12 -4.897 -5.462 -13.918 98 HG1 THR 12 HG1 THR 12 -6.800 -5.589 -13.031 99 HG21 THR 12 3HG2 THR 12 -4.038 -6.516 -11.193 100 HG22 THR 12 1HG2 THR 12 -3.078 -6.603 -12.674 101 HG23 THR 12 2HG2 THR 12 -4.594 -7.497 -12.550 102 H ASN 13 H ASN 13 -3.779 -3.197 -14.811 103 HA ASN 13 HA ASN 13 -1.201 -4.159 -15.395 104 HB2 ASN 13 2HB ASN 13 -2.697 -1.829 -16.694 105 HB3 ASN 13 3HB ASN 13 -1.300 -2.645 -17.380 106 HD21 ASN 13 1HD2 ASN 13 -4.707 -2.844 -16.756 107 HD22 ASN 13 2HD2 ASN 13 -5.013 -4.250 -17.709 108 H ILE 14 H ILE 14 -2.337 -1.079 -14.026 109 HA ILE 14 HA ILE 14 0.212 0.262 -14.288 110 HB ILE 14 HB ILE 14 -2.316 1.028 -12.755 111 HG12 ILE 14 2HG1 ILE 14 -2.713 1.014 -15.154 112 HG13 ILE 14 3HG1 ILE 14 -2.619 2.687 -14.627 113 HG21 ILE 14 1HG2 ILE 14 -0.405 2.136 -11.705 114 HG22 ILE 14 2HG2 ILE 14 -1.378 3.311 -12.590 115 HG23 ILE 14 3HG2 ILE 14 0.142 2.734 -13.275 116 HD11 ILE 14 3HD1 ILE 14 -1.514 2.411 -16.731 117 HD12 ILE 14 1HD1 ILE 14 -0.482 1.136 -16.086 118 HD13 ILE 14 2HD1 ILE 14 -0.314 2.795 -15.503 119 H ILE 15 H ILE 15 -1.662 -1.205 -11.643 120 HA ILE 15 HA ILE 15 0.099 -0.791 -9.508 121 HB ILE 15 HB ILE 15 -1.837 -3.104 -9.995 122 HG12 ILE 15 2HG1 ILE 15 -2.168 -0.504 -8.419 123 HG13 ILE 15 3HG1 ILE 15 -2.927 -0.880 -9.961 124 HG21 ILE 15 1HG2 ILE 15 -0.506 -2.304 -7.380 125 HG22 ILE 15 2HG2 ILE 15 -0.185 -3.776 -8.298 126 HG23 ILE 15 3HG2 ILE 15 -1.766 -3.527 -7.561 127 HD11 ILE 15 3HD1 ILE 15 -4.182 -2.694 -8.862 128 HD12 ILE 15 1HD1 ILE 15 -4.516 -1.100 -8.185 129 HD13 ILE 15 2HD1 ILE 15 -3.466 -2.220 -7.318 130 H SER 16 H SER 16 0.028 -3.330 -11.989 131 HA SER 16 HA SER 16 2.083 -4.999 -11.014 132 HB2 SER 16 2HB SER 16 0.467 -5.631 -12.829 133 HB3 SER 16 3HB SER 16 1.291 -4.526 -13.927 134 HG SER 16 HG SER 16 3.236 -5.817 -13.430 135 H SER 17 H SER 17 2.129 -2.296 -13.349 136 HA SER 17 HA SER 17 4.828 -2.350 -14.085 137 HB2 SER 17 2HB SER 17 2.909 0.017 -13.935 138 HB3 SER 17 3HB SER 17 4.443 0.014 -14.809 139 HG SER 17 HG SER 17 2.562 -2.003 -15.363 140 H VAL 18 H VAL 18 3.222 -0.400 -11.590 141 HA VAL 18 HA VAL 18 5.502 1.006 -10.665 142 HB VAL 18 HB VAL 18 2.825 0.475 -9.294 143 HG11 VAL 18 1HG1 VAL 18 3.308 2.489 -7.929 144 HG12 VAL 18 2HG1 VAL 18 4.930 2.560 -8.618 145 HG13 VAL 18 3HG1 VAL 18 4.458 1.185 -7.621 146 HG21 VAL 18 3HG2 VAL 18 2.147 2.666 -10.163 147 HG22 VAL 18 1HG2 VAL 18 2.618 1.603 -11.489 148 HG23 VAL 18 2HG2 VAL 18 3.716 2.872 -10.943 149 H GLN 19 H GLN 19 3.975 -2.027 -9.672 150 HA GLN 19 HA GLN 19 5.372 -2.463 -7.242 151 HB2 GLN 19 2HB GLN 19 3.275 -3.642 -7.892 152 HB3 GLN 19 3HB GLN 19 4.143 -4.489 -9.164 153 HG2 GLN 19 2HG GLN 19 5.559 -5.567 -7.403 154 HG3 GLN 19 3HG GLN 19 4.565 -4.788 -6.174 155 HE21 GLN 19 1HE2 GLN 19 2.057 -5.180 -7.729 156 HE22 GLN 19 2HE2 GLN 19 1.689 -6.859 -7.576 157 H GLU 20 H GLU 20 5.962 -3.549 -10.586 158 HA GLU 20 HA GLU 20 8.259 -5.143 -10.114 159 HB2 GLU 20 2HB GLU 20 7.271 -3.738 -12.629 160 HB3 GLU 20 3HB GLU 20 8.629 -4.859 -12.621 161 HG2 GLU 20 2HG GLU 20 7.186 -6.694 -11.933 162 HG3 GLU 20 3HG GLU 20 5.819 -5.601 -11.741 163 H ARG 21 H ARG 21 7.860 -1.710 -10.885 164 HA ARG 21 HA ARG 21 10.604 -1.027 -11.215 165 HB2 ARG 21 2HB ARG 21 8.229 0.681 -10.355 166 HB3 ARG 21 3HB ARG 21 9.809 1.330 -10.781 167 HG2 ARG 21 2HG ARG 21 9.562 0.624 -13.075 168 HG3 ARG 21 3HG ARG 21 8.087 -0.267 -12.694 169 HD2 ARG 21 2HD ARG 21 6.994 1.894 -12.061 170 HD3 ARG 21 3HD ARG 21 8.457 2.748 -12.573 171 HE ARG 21 HE ARG 21 7.614 1.153 -14.709 172 HH11 ARG 21 1HH1 ARG 21 6.411 3.951 -12.935 173 HH12 ARG 21 2HH1 ARG 21 5.532 4.575 -14.295 174 HH21 ARG 21 1HH2 ARG 21 6.460 1.993 -16.477 175 HH22 ARG 21 2HH2 ARG 21 5.558 3.467 -16.302 176 H ALA 22 H ALA 22 8.388 -0.689 -8.440 177 HA ALA 22 HA ALA 22 10.263 0.613 -6.750 178 HB1 ALA 22 3HB ALA 22 8.531 0.421 -5.033 179 HB2 ALA 22 1HB ALA 22 7.645 -0.743 -6.029 180 HB3 ALA 22 2HB ALA 22 7.833 0.926 -6.571 181 H LYS 23 H LYS 23 9.281 -2.807 -7.032 182 HA LYS 23 HA LYS 23 10.879 -3.719 -4.825 183 HB2 LYS 23 2HB LYS 23 9.695 -5.240 -7.177 184 HB3 LYS 23 3HB LYS 23 10.566 -6.013 -5.858 185 HG2 LYS 23 2HG LYS 23 8.850 -5.146 -4.259 186 HG3 LYS 23 3HG LYS 23 7.956 -4.479 -5.631 187 HD2 LYS 23 2HD LYS 23 6.975 -6.631 -5.002 188 HD3 LYS 23 3HD LYS 23 7.743 -6.783 -6.585 189 HE2 LYS 23 2HE LYS 23 9.751 -7.780 -5.441 190 HE3 LYS 23 3HE LYS 23 8.854 -7.741 -3.924 191 HZ1 LYS 23 3HZ LYS 23 8.736 -9.911 -4.949 192 HZ2 LYS 23 1HZ LYS 23 8.072 -9.253 -6.359 193 HZ3 LYS 23 2HZ LYS 23 7.201 -9.204 -4.912 194 H HIS 24 H HIS 24 11.663 -2.934 -8.162 195 HA HIS 24 HA HIS 24 14.187 -4.352 -8.097 196 HB2 HIS 24 2HB HIS 24 12.944 -3.974 -10.239 197 HB3 HIS 24 3HB HIS 24 13.238 -2.242 -10.088 198 HD1 HIS 24 HD1 HIS 24 15.147 -5.500 -10.507 199 HD2 HIS 24 HD2 HIS 24 15.683 -1.420 -11.110 200 HE1 HIS 24 HE1 HIS 24 17.383 -5.267 -11.621 201 HE2 HIS 24 HE2 HIS 24 17.593 -2.817 -12.136 202 H ASN 25 H ASN 25 13.072 -1.031 -7.506 203 HA ASN 25 HA ASN 25 15.695 0.114 -7.186 204 HB2 ASN 25 2HB ASN 25 12.953 1.079 -6.241 205 HB3 ASN 25 3HB ASN 25 14.434 1.997 -6.002 206 HD21 ASN 25 1HD2 ASN 25 11.960 1.153 -8.236 207 HD22 ASN 25 2HD2 ASN 25 12.519 2.122 -9.549 208 H TYR 26 H TYR 26 13.168 -0.934 -4.911 209 HA TYR 26 HA TYR 26 14.993 -0.730 -2.607 210 HB2 TYR 26 2HB TYR 26 11.956 -1.102 -2.768 211 HB3 TYR 26 3HB TYR 26 12.876 -0.892 -1.275 212 HD1 TYR 26 HD1 TYR 26 14.403 1.249 -1.182 213 HD2 TYR 26 HD2 TYR 26 11.031 0.865 -3.777 214 HE1 TYR 26 HE1 TYR 26 14.311 3.684 -1.406 215 HE2 TYR 26 HE2 TYR 26 10.934 3.322 -3.999 216 HH TYR 26 HH TYR 26 11.774 5.349 -2.424 217 HA PRO 27 HA PRO 27 15.412 -5.206 -1.916 218 HB2 PRO 27 2HB PRO 27 14.508 -5.442 0.759 219 HB3 PRO 27 3HB PRO 27 16.156 -5.034 0.254 220 HG2 PRO 27 2HG PRO 27 13.935 -3.194 1.072 221 HG3 PRO 27 3HG PRO 27 15.664 -3.126 1.483 222 HD2 PRO 27 2HD PRO 27 14.691 -1.491 -0.375 223 HD3 PRO 27 3HD PRO 27 16.268 -2.276 -0.633 224 H GLY 28 H GLY 28 12.321 -3.675 -1.489 225 HA2 GLY 28 2HA GLY 28 10.311 -4.471 -2.405 226 HA3 GLY 28 3HA GLY 28 10.923 -6.119 -2.346 227 H ARG 29 H ARG 29 11.791 -5.187 0.575 228 HA ARG 29 HA ARG 29 9.760 -6.364 2.086 229 HB2 ARG 29 2HB ARG 29 12.037 -6.124 2.937 230 HB3 ARG 29 3HB ARG 29 11.928 -4.369 2.875 231 HG2 ARG 29 2HG ARG 29 10.289 -4.370 4.696 232 HG3 ARG 29 3HG ARG 29 10.273 -6.133 4.719 233 HD2 ARG 29 2HD ARG 29 12.693 -4.404 5.326 234 HD3 ARG 29 3HD ARG 29 11.651 -5.142 6.545 235 HE ARG 29 HE ARG 29 12.342 -7.349 5.502 236 HH11 ARG 29 1HH1 ARG 29 14.496 -4.571 5.403 237 HH12 ARG 29 2HH1 ARG 29 15.929 -5.545 5.302 238 HH21 ARG 29 1HH2 ARG 29 14.237 -8.601 5.335 239 HH22 ARG 29 2HH2 ARG 29 15.785 -7.813 5.265 240 H TYR 30 H TYR 30 10.245 -3.060 1.069 241 HA TYR 30 HA TYR 30 8.273 -1.819 2.746 242 HB2 TYR 30 2HB TYR 30 9.676 -0.862 0.215 243 HB3 TYR 30 3HB TYR 30 8.695 0.157 1.265 244 HD1 TYR 30 HD1 TYR 30 9.436 -0.133 3.884 245 HD2 TYR 30 HD2 TYR 30 12.025 -0.570 0.516 246 HE1 TYR 30 HE1 TYR 30 11.341 0.431 5.299 247 HE2 TYR 30 HE2 TYR 30 13.955 -0.007 1.945 248 HH TYR 30 HH TYR 30 13.738 0.085 5.353 249 H ILE 31 H ILE 31 8.167 -3.518 -0.257 250 HA ILE 31 HA ILE 31 5.577 -2.342 -1.052 251 HB ILE 31 HB ILE 31 7.626 -3.984 -2.611 252 HG12 ILE 31 2HG1 ILE 31 7.485 -1.992 -4.213 253 HG13 ILE 31 3HG1 ILE 31 6.503 -1.169 -3.012 254 HG21 ILE 31 1HG2 ILE 31 6.083 -3.918 -4.574 255 HG22 ILE 31 2HG2 ILE 31 4.813 -3.281 -3.531 256 HG23 ILE 31 3HG2 ILE 31 5.451 -4.900 -3.248 257 HD11 ILE 31 3HD1 ILE 31 8.824 -0.420 -2.994 258 HD12 ILE 31 1HD1 ILE 31 9.363 -2.062 -2.636 259 HD13 ILE 31 2HD1 ILE 31 8.385 -1.175 -1.462 260 H ARG 32 H ARG 32 3.815 -3.419 -0.514 261 HA ARG 32 HA ARG 32 3.753 -6.370 -0.463 262 HB2 ARG 32 2HB ARG 32 3.709 -5.458 1.864 263 HB3 ARG 32 3HB ARG 32 2.336 -4.442 1.452 264 HG2 ARG 32 2HG ARG 32 1.603 -6.388 2.719 265 HG3 ARG 32 3HG ARG 32 0.958 -6.461 1.080 266 HD2 ARG 32 2HD ARG 32 2.863 -8.032 0.504 267 HD3 ARG 32 3HD ARG 32 3.270 -8.074 2.222 268 HE ARG 32 HE ARG 32 0.896 -9.225 0.921 269 HH11 ARG 32 1HH1 ARG 32 2.665 -8.724 3.932 270 HH12 ARG 32 2HH1 ARG 32 1.796 -9.961 4.780 271 HH21 ARG 32 1HH2 ARG 32 -0.195 -10.875 2.040 272 HH22 ARG 32 2HH2 ARG 32 0.182 -11.174 3.707 273 H THR 33 H THR 33 1.745 -7.233 -1.198 274 HA THR 33 HA THR 33 -0.211 -5.331 -2.371 275 HB THR 33 HB THR 33 -0.919 -7.312 -3.788 276 HG1 THR 33 HG1 THR 33 0.547 -9.084 -3.871 277 HG21 THR 33 3HG2 THR 33 0.610 -5.611 -4.741 278 HG22 THR 33 1HG2 THR 33 0.975 -7.219 -5.367 279 HG23 THR 33 2HG2 THR 33 2.000 -6.506 -4.118 280 H ALA 34 H ALA 34 -2.290 -5.459 -1.714 281 HA ALA 34 HA ALA 34 -3.181 -7.649 0.073 282 HB1 ALA 34 3HB ALA 34 -3.360 -5.450 1.166 283 HB2 ALA 34 1HB ALA 34 -4.967 -6.086 0.817 284 HB3 ALA 34 2HB ALA 34 -4.281 -4.817 -0.200 285 H THR 35 H THR 35 -4.045 -9.125 -1.270 286 HA THR 35 HA THR 35 -5.902 -8.254 -3.403 287 HB THR 35 HB THR 35 -4.085 -9.805 -4.112 288 HG1 THR 35 HG1 THR 35 -6.810 -10.486 -4.324 289 HG21 THR 35 3HG2 THR 35 -3.857 -11.164 -2.053 290 HG22 THR 35 1HG2 THR 35 -4.119 -12.167 -3.482 291 HG23 THR 35 2HG2 THR 35 -5.446 -11.875 -2.355 292 H SER 36 H SER 36 -5.843 -9.315 -0.210 293 HA SER 36 HA SER 36 -8.681 -9.785 -0.088 294 HB2 SER 36 2HB SER 36 -7.795 -12.011 -0.837 295 HB3 SER 36 3HB SER 36 -6.777 -12.075 0.602 296 HG SER 36 HG SER 36 -9.614 -12.150 0.424 297 H SER 37 H SER 37 -9.439 -10.127 2.019 298 HA SER 37 HA SER 37 -8.615 -8.510 4.060 299 HB2 SER 37 2HB SER 37 -10.135 -11.136 4.372 300 HB3 SER 37 3HB SER 37 -10.233 -9.719 5.422 301 HG SER 37 HG SER 37 -10.905 -8.630 3.315 302 H GLN 38 H GLN 38 -7.728 -11.883 3.444 303 HA GLN 38 HA GLN 38 -6.588 -12.531 5.938 304 HB2 GLN 38 2HB GLN 38 -5.975 -13.732 3.204 305 HB3 GLN 38 3HB GLN 38 -5.555 -14.457 4.752 306 HG2 GLN 38 2HG GLN 38 -8.336 -14.009 3.647 307 HG3 GLN 38 3HG GLN 38 -7.515 -15.555 3.864 308 HE21 GLN 38 1HE2 GLN 38 -7.269 -16.365 6.008 309 HE22 GLN 38 2HE2 GLN 38 -8.274 -15.814 7.303 310 H ASP 39 H ASP 39 -5.089 -11.256 2.946 311 HA ASP 39 HA ASP 39 -2.415 -11.143 3.811 312 HB2 ASP 39 2HB ASP 39 -3.751 -9.064 2.001 313 HB3 ASP 39 3HB ASP 39 -2.039 -9.483 2.054 314 H ILE 40 H ILE 40 -5.054 -8.763 3.968 315 HA ILE 40 HA ILE 40 -3.723 -6.557 5.021 316 HB ILE 40 HB ILE 40 -6.617 -7.439 5.403 317 HG12 ILE 40 2HG1 ILE 40 -5.395 -5.445 3.434 318 HG13 ILE 40 3HG1 ILE 40 -5.822 -7.105 3.038 319 HG21 ILE 40 1HG2 ILE 40 -5.427 -4.691 5.942 320 HG22 ILE 40 2HG2 ILE 40 -6.078 -5.800 7.151 321 HG23 ILE 40 3HG2 ILE 40 -7.149 -5.078 5.949 322 HD11 ILE 40 3HD1 ILE 40 -7.488 -5.573 2.243 323 HD12 ILE 40 1HD1 ILE 40 -7.731 -4.936 3.869 324 HD13 ILE 40 2HD1 ILE 40 -8.162 -6.609 3.500 325 H ARG 41 H ARG 41 -5.435 -9.170 6.810 326 HA ARG 41 HA ARG 41 -5.164 -8.434 9.438 327 HB2 ARG 41 2HB ARG 41 -4.517 -11.277 8.528 328 HB3 ARG 41 3HB ARG 41 -5.141 -10.785 10.090 329 HG2 ARG 41 2HG ARG 41 -6.656 -10.771 7.469 330 HG3 ARG 41 3HG ARG 41 -6.819 -11.952 8.760 331 HD2 ARG 41 2HD ARG 41 -8.679 -10.570 9.066 332 HD3 ARG 41 3HD ARG 41 -7.526 -9.935 10.234 333 HE ARG 41 HE ARG 41 -7.155 -8.048 8.815 334 HH11 ARG 41 1HH1 ARG 41 -9.880 -10.042 7.808 335 HH12 ARG 41 2HH1 ARG 41 -10.586 -8.775 6.850 336 HH21 ARG 41 1HH2 ARG 41 -8.094 -6.425 7.555 337 HH22 ARG 41 2HH2 ARG 41 -9.580 -6.749 6.708 338 H ASP 42 H ASP 42 -2.801 -10.238 7.510 339 HA ASP 42 HA ASP 42 -0.806 -10.500 9.494 340 HB2 ASP 42 2HB ASP 42 -1.170 -11.987 7.442 341 HB3 ASP 42 3HB ASP 42 -0.448 -10.718 6.466 342 H ILE 43 H ILE 43 -1.405 -8.077 6.964 343 HA ILE 43 HA ILE 43 1.148 -6.849 6.865 344 HB ILE 43 HB ILE 43 -1.625 -5.725 6.226 345 HG12 ILE 43 2HG1 ILE 43 0.555 -6.683 4.306 346 HG13 ILE 43 3HG1 ILE 43 -0.806 -7.670 4.817 347 HG21 ILE 43 1HG2 ILE 43 1.067 -4.488 5.539 348 HG22 ILE 43 2HG2 ILE 43 -0.102 -3.847 6.695 349 HG23 ILE 43 3HG2 ILE 43 -0.503 -3.909 4.980 350 HD11 ILE 43 3HD1 ILE 43 -1.209 -6.744 2.631 351 HD12 ILE 43 1HD1 ILE 43 -0.964 -5.107 3.241 352 HD13 ILE 43 2HD1 ILE 43 -2.346 -6.058 3.790 353 H ILE 44 H ILE 44 -1.815 -5.873 8.579 354 HA ILE 44 HA ILE 44 -0.681 -3.602 9.874 355 HB ILE 44 HB ILE 44 -3.274 -5.113 10.405 356 HG12 ILE 44 2HG1 ILE 44 -2.734 -2.598 8.753 357 HG13 ILE 44 3HG1 ILE 44 -3.041 -4.198 8.092 358 HG21 ILE 44 1HG2 ILE 44 -2.502 -2.327 11.348 359 HG22 ILE 44 2HG2 ILE 44 -2.679 -3.749 12.378 360 HG23 ILE 44 3HG2 ILE 44 -4.087 -3.076 11.550 361 HD11 ILE 44 3HD1 ILE 44 -4.978 -2.503 9.649 362 HD12 ILE 44 1HD1 ILE 44 -5.295 -4.139 9.061 363 HD13 ILE 44 2HD1 ILE 44 -4.995 -2.832 7.915 364 H LYS 45 H LYS 45 -1.027 -7.003 10.757 365 HA LYS 45 HA LYS 45 -0.281 -6.817 13.490 366 HB2 LYS 45 2HB LYS 45 0.034 -9.089 11.488 367 HB3 LYS 45 3HB LYS 45 0.443 -9.248 13.195 368 HG2 LYS 45 2HG LYS 45 -1.860 -8.861 13.854 369 HG3 LYS 45 3HG LYS 45 -2.311 -8.471 12.195 370 HD2 LYS 45 2HD LYS 45 -3.074 -10.721 12.692 371 HD3 LYS 45 3HD LYS 45 -1.762 -10.817 11.522 372 HE2 LYS 45 2HE LYS 45 -0.204 -11.488 13.282 373 HE3 LYS 45 3HE LYS 45 -1.457 -11.283 14.508 374 HZ1 LYS 45 3HZ LYS 45 -2.715 -13.064 13.483 375 HZ2 LYS 45 1HZ LYS 45 -1.164 -13.605 13.889 376 HZ3 LYS 45 2HZ LYS 45 -1.544 -13.255 12.280 377 H SER 46 H SER 46 1.682 -7.132 10.486 378 HA SER 46 HA SER 46 4.200 -7.350 11.793 379 HB2 SER 46 2HB SER 46 3.800 -8.074 9.444 380 HB3 SER 46 3HB SER 46 3.588 -6.388 8.968 381 HG SER 46 HG SER 46 5.844 -7.756 9.152 382 H MET 47 H MET 47 2.213 -4.633 10.757 383 HA MET 47 HA MET 47 4.165 -2.571 11.035 384 HB2 MET 47 2HB MET 47 1.128 -2.394 11.231 385 HB3 MET 47 3HB MET 47 2.217 -1.021 11.050 386 HG2 MET 47 2HG MET 47 1.730 -3.221 9.034 387 HG3 MET 47 3HG MET 47 1.225 -1.538 8.911 388 HE1 MET 47 3HE MET 47 3.841 0.038 9.930 389 HE2 MET 47 1HE MET 47 2.906 0.487 8.504 390 HE3 MET 47 2HE MET 47 4.655 0.298 8.389 391 H LYS 48 H LYS 48 2.507 -4.443 13.361 392 HA LYS 48 HA LYS 48 2.780 -2.571 15.577 393 HB2 LYS 48 2HB LYS 48 2.095 -5.549 15.620 394 HB3 LYS 48 3HB LYS 48 1.876 -4.406 16.942 395 HG2 LYS 48 2HG LYS 48 0.163 -3.210 15.663 396 HG3 LYS 48 3HG LYS 48 0.409 -4.297 14.295 397 HD2 LYS 48 2HD LYS 48 -0.325 -6.212 15.696 398 HD3 LYS 48 3HD LYS 48 -0.595 -5.111 17.050 399 HE2 LYS 48 2HE LYS 48 -2.309 -3.922 15.702 400 HE3 LYS 48 3HE LYS 48 -2.061 -5.082 14.394 401 HZ1 LYS 48 3HZ LYS 48 -2.948 -5.801 17.136 402 HZ2 LYS 48 1HZ LYS 48 -2.828 -6.846 15.811 403 HZ3 LYS 48 2HZ LYS 48 -3.978 -5.608 15.814 404 H ASP 49 H ASP 49 4.174 -5.731 14.615 405 HA ASP 49 HA ASP 49 6.024 -5.897 16.791 406 HB2 ASP 49 2HB ASP 49 5.986 -7.467 14.174 407 HB3 ASP 49 3HB ASP 49 6.929 -7.892 15.600 408 H ASN 50 H ASN 50 6.235 -4.559 13.575 409 HA ASN 50 HA ASN 50 9.179 -4.179 13.801 410 HB2 ASN 50 2HB ASN 50 7.548 -4.625 11.250 411 HB3 ASN 50 3HB ASN 50 9.290 -4.372 11.331 412 HD21 ASN 50 1HD2 ASN 50 6.691 -6.635 11.890 413 HD22 ASN 50 2HD2 ASN 50 7.691 -8.030 12.109 414 H GLY 51 H GLY 51 6.325 -2.970 12.028 415 HA2 GLY 51 2HA GLY 51 5.572 -0.775 11.797 416 HA3 GLY 51 3HA GLY 51 7.049 -0.168 12.535 417 H LYS 52 H LYS 52 8.385 0.839 11.162 418 HA LYS 52 HA LYS 52 9.539 1.534 9.346 419 HB2 LYS 52 2HB LYS 52 8.637 -1.055 8.014 420 HB3 LYS 52 3HB LYS 52 9.832 0.039 7.342 421 HG2 LYS 52 2HG LYS 52 10.186 -1.419 9.979 422 HG3 LYS 52 3HG LYS 52 10.730 -2.044 8.427 423 HD2 LYS 52 2HD LYS 52 12.678 -1.089 9.339 424 HD3 LYS 52 3HD LYS 52 12.106 0.143 8.220 425 HE2 LYS 52 2HE LYS 52 11.196 1.449 10.078 426 HE3 LYS 52 3HE LYS 52 11.633 0.177 11.222 427 HZ1 LYS 52 3HZ LYS 52 13.232 2.044 11.164 428 HZ2 LYS 52 1HZ LYS 52 13.598 1.666 9.557 429 HZ3 LYS 52 2HZ LYS 52 13.937 0.561 10.788 430 HA PRO 53 HA PRO 53 6.477 3.371 6.441 431 HB2 PRO 53 2HB PRO 53 8.116 3.977 4.299 432 HB3 PRO 53 3HB PRO 53 8.059 4.967 5.771 433 HG2 PRO 53 2HG PRO 53 10.051 2.843 5.020 434 HG3 PRO 53 3HG PRO 53 10.340 4.465 5.694 435 HD2 PRO 53 2HD PRO 53 10.379 2.273 7.268 436 HD3 PRO 53 3HD PRO 53 9.737 3.823 7.862 437 H LEU 54 H LEU 54 5.109 2.134 5.243 438 HA LEU 54 HA LEU 54 6.166 -0.113 3.626 439 HB2 LEU 54 2HB LEU 54 4.959 -0.642 5.921 440 HB3 LEU 54 3HB LEU 54 3.487 -0.212 5.070 441 HG LEU 54 HG LEU 54 4.034 -2.022 3.367 442 HD11 LEU 54 1HD1 LEU 54 6.175 -2.804 5.366 443 HD12 LEU 54 2HD1 LEU 54 6.445 -2.180 3.735 444 HD13 LEU 54 3HD1 LEU 54 5.667 -3.746 3.960 445 HD21 LEU 54 3HD2 LEU 54 2.399 -2.421 5.160 446 HD22 LEU 54 1HD2 LEU 54 3.692 -2.985 6.224 447 HD23 LEU 54 2HD2 LEU 54 3.292 -3.885 4.758 448 H VAL 55 H VAL 55 4.401 -0.811 1.999 449 HA VAL 55 HA VAL 55 2.730 1.360 0.984 450 HB VAL 55 HB VAL 55 4.918 0.147 -0.800 451 HG11 VAL 55 1HG1 VAL 55 2.811 2.242 -1.455 452 HG12 VAL 55 2HG1 VAL 55 2.809 0.565 -2.007 453 HG13 VAL 55 3HG1 VAL 55 4.077 1.664 -2.543 454 HG21 VAL 55 3HG2 VAL 55 5.887 2.410 -0.965 455 HG22 VAL 55 1HG2 VAL 55 5.894 1.847 0.708 456 HG23 VAL 55 2HG2 VAL 55 4.691 3.024 0.177 457 H VAL 56 H VAL 56 0.878 0.184 1.001 458 HA VAL 56 HA VAL 56 0.895 -2.620 0.065 459 HB VAL 56 HB VAL 56 -1.095 -1.109 1.818 460 HG11 VAL 56 1HG1 VAL 56 -2.381 -3.220 1.997 461 HG12 VAL 56 2HG1 VAL 56 -1.344 -3.957 0.773 462 HG13 VAL 56 3HG1 VAL 56 -2.384 -2.597 0.345 463 HG21 VAL 56 3HG2 VAL 56 0.674 -3.517 2.384 464 HG22 VAL 56 1HG2 VAL 56 -0.447 -2.771 3.524 465 HG23 VAL 56 2HG2 VAL 56 0.959 -1.872 2.955 466 H PHE 57 H PHE 57 0.327 -2.914 -1.941 467 HA PHE 57 HA PHE 57 -1.244 -1.032 -3.513 468 HB2 PHE 57 2HB PHE 57 0.227 -3.618 -4.215 469 HB3 PHE 57 3HB PHE 57 -0.684 -2.670 -5.383 470 HD1 PHE 57 HD2 PHE 57 2.391 -2.740 -3.295 471 HD2 PHE 57 HD1 PHE 57 0.209 -0.597 -6.289 472 HE1 PHE 57 HE2 PHE 57 4.378 -1.365 -3.772 473 HE2 PHE 57 HE1 PHE 57 2.200 0.763 -6.751 474 HZ PHE 57 HZ PHE 57 4.283 0.387 -5.494 475 H VAL 58 H VAL 58 -3.398 -1.229 -3.230 476 HA VAL 58 HA VAL 58 -4.790 -3.678 -2.627 477 HB VAL 58 HB VAL 58 -5.901 -0.997 -3.603 478 HG11 VAL 58 1HG1 VAL 58 -7.408 -3.346 -2.384 479 HG12 VAL 58 2HG1 VAL 58 -7.462 -2.861 -4.079 480 HG13 VAL 58 3HG1 VAL 58 -8.103 -1.786 -2.838 481 HG21 VAL 58 3HG2 VAL 58 -6.519 -0.598 -1.244 482 HG22 VAL 58 1HG2 VAL 58 -4.773 -0.790 -1.426 483 HG23 VAL 58 2HG2 VAL 58 -5.744 -2.114 -0.778 484 H ASN 59 H ASN 59 -4.284 -5.151 -4.220 485 HA ASN 59 HA ASN 59 -5.056 -4.520 -7.013 486 HB2 ASN 59 2HB ASN 59 -2.599 -4.855 -6.678 487 HB3 ASN 59 3HB ASN 59 -2.914 -6.464 -6.033 488 HD21 ASN 59 1HD2 ASN 59 -3.523 -8.117 -7.466 489 HD22 ASN 59 2HD2 ASN 59 -3.417 -7.951 -9.180 490 H GLY 60 H GLY 60 -7.032 -5.394 -7.261 491 HA2 GLY 60 2HA GLY 60 -8.438 -7.194 -7.774 492 HA3 GLY 60 3HA GLY 60 -7.422 -8.273 -6.827 493 H ALA 61 H ALA 61 -7.353 -6.584 -4.460 494 HA ALA 61 HA ALA 61 -9.597 -7.451 -3.025 495 HB1 ALA 61 3HB ALA 61 -8.758 -5.981 -1.226 496 HB2 ALA 61 1HB ALA 61 -7.690 -5.173 -2.375 497 HB3 ALA 61 2HB ALA 61 -7.439 -6.872 -1.979 498 H SER 62 H SER 62 -11.566 -6.518 -2.543 499 HA SER 62 HA SER 62 -12.514 -4.354 -4.230 500 HB2 SER 62 2HB SER 62 -14.734 -4.875 -3.273 501 HB3 SER 62 3HB SER 62 -13.926 -6.363 -3.770 502 HG SER 62 HG SER 62 -13.438 -6.789 -1.628 503 H GLN 63 H GLN 63 -14.126 -2.775 -3.024 504 HA GLN 63 HA GLN 63 -12.605 -1.000 -1.431 505 HB2 GLN 63 2HB GLN 63 -14.428 -0.265 -2.957 506 HB3 GLN 63 3HB GLN 63 -15.619 -1.040 -1.918 507 HG2 GLN 63 2HG GLN 63 -15.548 1.397 -1.580 508 HG3 GLN 63 3HG GLN 63 -15.114 0.526 -0.112 509 HE21 GLN 63 1HE2 GLN 63 -12.933 1.133 -2.873 510 HE22 GLN 63 2HE2 GLN 63 -11.863 2.168 -1.999 511 H ASN 64 H ASN 64 -14.889 -3.560 -0.660 512 HA ASN 64 HA ASN 64 -15.372 -3.217 2.055 513 HB2 ASN 64 2HB ASN 64 -14.826 -5.802 0.517 514 HB3 ASN 64 3HB ASN 64 -15.477 -5.753 2.153 515 HD21 ASN 64 1HD2 ASN 64 -16.574 -6.697 -0.494 516 HD22 ASN 64 2HD2 ASN 64 -18.126 -5.943 -0.606 517 H ASP 65 H ASP 65 -12.578 -4.727 0.459 518 HA ASP 65 HA ASP 65 -11.164 -5.489 2.822 519 HB2 ASP 65 2HB ASP 65 -10.161 -5.100 -0.035 520 HB3 ASP 65 3HB ASP 65 -9.247 -5.863 1.262 521 H VAL 66 H VAL 66 -10.954 -2.726 0.586 522 HA VAL 66 HA VAL 66 -8.713 -1.364 1.566 523 HB VAL 66 HB VAL 66 -11.296 -0.220 0.382 524 HG11 VAL 66 1HG1 VAL 66 -10.156 1.567 1.609 525 HG12 VAL 66 2HG1 VAL 66 -10.006 1.835 -0.127 526 HG13 VAL 66 3HG1 VAL 66 -8.636 1.199 0.787 527 HG21 VAL 66 3HG2 VAL 66 -10.033 -0.090 -1.731 528 HG22 VAL 66 1HG2 VAL 66 -10.086 -1.749 -1.128 529 HG23 VAL 66 2HG2 VAL 66 -8.617 -0.789 -0.938 530 H ASN 67 H ASN 67 -12.108 -1.159 2.521 531 HA ASN 67 HA ASN 67 -11.833 0.796 4.544 532 HB2 ASN 67 2HB ASN 67 -14.045 -1.271 4.134 533 HB3 ASN 67 3HB ASN 67 -14.138 0.100 5.244 534 HD21 ASN 67 1HD2 ASN 67 -15.773 -0.547 2.889 535 HD22 ASN 67 2HD2 ASN 67 -15.666 0.815 1.836 536 H GLU 68 H GLU 68 -11.729 -2.772 4.631 537 HA GLU 68 HA GLU 68 -11.676 -3.110 7.444 538 HB2 GLU 68 2HB GLU 68 -10.417 -4.854 5.282 539 HB3 GLU 68 3HB GLU 68 -10.562 -5.316 6.979 540 HG2 GLU 68 2HG GLU 68 -13.037 -5.150 6.782 541 HG3 GLU 68 3HG GLU 68 -12.843 -4.776 5.071 542 H PHE 69 H PHE 69 -9.082 -2.613 5.085 543 HA PHE 69 HA PHE 69 -6.865 -2.858 6.771 544 HB2 PHE 69 2HB PHE 69 -6.645 -2.740 4.309 545 HB3 PHE 69 3HB PHE 69 -7.195 -1.068 4.313 546 HD1 PHE 69 HD1 PHE 69 -4.397 -3.329 5.222 547 HD2 PHE 69 HD2 PHE 69 -5.669 0.749 4.920 548 HE1 PHE 69 HE1 PHE 69 -2.077 -2.571 5.527 549 HE2 PHE 69 HE2 PHE 69 -3.343 1.492 5.221 550 HZ PHE 69 HZ PHE 69 -1.558 -0.170 5.526 551 H GLN 70 H GLN 70 -8.617 0.063 5.751 552 HA GLN 70 HA GLN 70 -7.303 1.927 7.333 553 HB2 GLN 70 2HB GLN 70 -10.163 1.946 6.290 554 HB3 GLN 70 3HB GLN 70 -9.341 3.353 6.964 555 HG2 GLN 70 2HG GLN 70 -7.635 3.215 5.165 556 HG3 GLN 70 3HG GLN 70 -8.481 1.823 4.490 557 HE21 GLN 70 1HE2 GLN 70 -8.719 2.959 2.523 558 HE22 GLN 70 2HE2 GLN 70 -9.900 4.205 2.338 559 H ASN 71 H ASN 71 -10.224 0.017 8.113 560 HA ASN 71 HA ASN 71 -10.825 1.274 10.572 561 HB2 ASN 71 2HB ASN 71 -11.724 -1.311 9.296 562 HB3 ASN 71 3HB ASN 71 -12.030 -1.106 11.013 563 HD21 ASN 71 1HD2 ASN 71 -13.029 -0.193 7.854 564 HD22 ASN 71 2HD2 ASN 71 -14.322 0.838 8.319 565 H GLU 72 H GLU 72 -9.206 -1.914 10.042 566 HA GLU 72 HA GLU 72 -8.497 -2.355 12.700 567 HB2 GLU 72 2HB GLU 72 -6.976 -3.292 10.233 568 HB3 GLU 72 3HB GLU 72 -6.818 -3.950 11.857 569 HG2 GLU 72 2HG GLU 72 -9.205 -4.650 11.769 570 HG3 GLU 72 3HG GLU 72 -9.279 -4.087 10.099 571 H ALA 73 H ALA 73 -6.586 -0.756 10.105 572 HA ALA 73 HA ALA 73 -4.207 -0.421 11.550 573 HB1 ALA 73 3HB ALA 73 -4.344 -0.115 9.108 574 HB2 ALA 73 1HB ALA 73 -3.604 1.280 9.887 575 HB3 ALA 73 2HB ALA 73 -5.280 1.366 9.336 576 H LYS 74 H LYS 74 -6.920 1.877 11.112 577 HA LYS 74 HA LYS 74 -5.874 3.957 12.649 578 HB2 LYS 74 2HB LYS 74 -8.056 4.971 12.634 579 HB3 LYS 74 3HB LYS 74 -7.790 4.207 11.077 580 HG2 LYS 74 2HG LYS 74 -9.210 2.286 11.881 581 HG3 LYS 74 3HG LYS 74 -9.599 3.241 13.309 582 HD2 LYS 74 2HD LYS 74 -10.184 4.042 10.428 583 HD3 LYS 74 3HD LYS 74 -11.357 3.364 11.555 584 HE2 LYS 74 2HE LYS 74 -9.929 6.024 11.868 585 HE3 LYS 74 3HE LYS 74 -11.609 5.792 11.390 586 HZ1 LYS 74 3HZ LYS 74 -12.069 4.823 13.540 587 HZ2 LYS 74 1HZ LYS 74 -11.390 6.357 13.735 588 HZ3 LYS 74 2HZ LYS 74 -10.453 4.981 14.000 589 H LYS 75 H LYS 75 -7.950 1.193 13.744 590 HA LYS 75 HA LYS 75 -8.211 2.290 16.406 591 HB2 LYS 75 2HB LYS 75 -9.448 0.275 16.948 592 HB3 LYS 75 3HB LYS 75 -9.975 0.864 15.374 593 HG2 LYS 75 2HG LYS 75 -8.766 -0.868 14.225 594 HG3 LYS 75 3HG LYS 75 -7.960 -1.382 15.705 595 HD2 LYS 75 2HD LYS 75 -10.950 -1.616 15.154 596 HD3 LYS 75 3HD LYS 75 -9.781 -2.933 15.046 597 HE2 LYS 75 2HE LYS 75 -9.256 -2.547 17.497 598 HE3 LYS 75 3HE LYS 75 -10.611 -1.415 17.535 599 HZ1 LYS 75 3HZ LYS 75 -11.320 -3.580 18.297 600 HZ2 LYS 75 1HZ LYS 75 -10.771 -4.316 16.880 601 HZ3 LYS 75 2HZ LYS 75 -12.072 -3.242 16.825 602 H GLU 76 H GLU 76 -5.984 0.011 14.867 603 HA GLU 76 HA GLU 76 -4.989 -1.090 17.374 604 HB2 GLU 76 2HB GLU 76 -4.044 -1.509 14.506 605 HB3 GLU 76 3HB GLU 76 -3.384 -2.360 15.895 606 HG2 GLU 76 2HG GLU 76 -6.210 -2.564 14.817 607 HG3 GLU 76 3HG GLU 76 -4.951 -3.793 14.730 608 H GLY 77 H GLY 77 -4.409 1.831 15.949 609 HA2 GLY 77 2HA GLY 77 -2.865 3.448 16.541 610 HA3 GLY 77 3HA GLY 77 -1.989 2.257 17.489 611 H VAL 78 H VAL 78 -2.824 1.997 14.092 612 HA VAL 78 HA VAL 78 0.018 2.271 13.293 613 HB VAL 78 HB VAL 78 -2.247 0.818 11.828 614 HG11 VAL 78 1HG1 VAL 78 0.727 0.865 11.194 615 HG12 VAL 78 2HG1 VAL 78 -0.538 1.689 10.278 616 HG13 VAL 78 3HG1 VAL 78 -0.502 -0.073 10.342 617 HG21 VAL 78 3HG2 VAL 78 -1.141 -1.295 12.468 618 HG22 VAL 78 1HG2 VAL 78 -1.655 -0.387 13.893 619 HG23 VAL 78 2HG2 VAL 78 0.046 -0.400 13.419 620 H SER 79 H SER 79 0.492 3.996 12.022 621 HA SER 79 HA SER 79 -1.584 5.787 11.058 622 HB2 SER 79 2HB SER 79 1.447 5.928 10.792 623 HB3 SER 79 3HB SER 79 0.317 7.222 10.374 624 HG SER 79 HG SER 79 -0.034 6.258 12.918 625 H TYR 80 H TYR 80 -1.888 6.371 8.837 626 HA TYR 80 HA TYR 80 -0.665 4.912 6.674 627 HB2 TYR 80 2HB TYR 80 -2.705 3.748 5.885 628 HB3 TYR 80 3HB TYR 80 -2.265 3.187 7.493 629 HD1 TYR 80 HD1 TYR 80 -3.612 4.053 9.516 630 HD2 TYR 80 HD2 TYR 80 -4.892 4.712 5.485 631 HE1 TYR 80 HE1 TYR 80 -5.881 4.556 10.312 632 HE2 TYR 80 HE2 TYR 80 -7.159 5.211 6.294 633 HH TYR 80 HH TYR 80 -7.872 5.756 9.579 634 H ASP 81 H ASP 81 -1.162 5.794 4.654 635 HA ASP 81 HA ASP 81 -2.964 8.154 4.525 636 HB2 ASP 81 2HB ASP 81 -0.370 7.600 3.000 637 HB3 ASP 81 3HB ASP 81 -1.437 8.960 2.670 638 H VAL 82 H VAL 82 -4.653 7.889 3.182 639 HA VAL 82 HA VAL 82 -4.827 5.540 1.453 640 HB VAL 82 HB VAL 82 -6.960 7.648 2.088 641 HG11 VAL 82 1HG1 VAL 82 -7.252 4.930 0.745 642 HG12 VAL 82 2HG1 VAL 82 -7.415 6.501 -0.045 643 HG13 VAL 82 3HG1 VAL 82 -8.582 6.007 1.183 644 HG21 VAL 82 3HG2 VAL 82 -6.562 4.881 3.297 645 HG22 VAL 82 1HG2 VAL 82 -7.915 5.964 3.638 646 HG23 VAL 82 2HG2 VAL 82 -6.277 6.417 4.117 647 H LEU 83 H LEU 83 -4.076 5.683 -0.510 648 HA LEU 83 HA LEU 83 -4.127 8.208 -2.066 649 HB2 LEU 83 2HB LEU 83 -1.857 7.382 -1.503 650 HB3 LEU 83 3HB LEU 83 -2.237 5.810 -2.183 651 HG LEU 83 HG LEU 83 -2.513 6.984 -4.449 652 HD11 LEU 83 1HD1 LEU 83 -1.157 9.295 -3.040 653 HD12 LEU 83 2HD1 LEU 83 -2.808 9.278 -3.665 654 HD13 LEU 83 3HD1 LEU 83 -1.448 9.151 -4.777 655 HD21 LEU 83 3HD2 LEU 83 -0.117 7.017 -4.916 656 HD22 LEU 83 1HD2 LEU 83 -0.541 5.639 -3.901 657 HD23 LEU 83 2HD2 LEU 83 0.243 7.053 -3.188 658 H LYS 84 H LYS 84 -5.585 8.141 -3.732 659 HA LYS 84 HA LYS 84 -6.092 5.575 -5.136 660 HB2 LYS 84 2HB LYS 84 -8.134 7.803 -4.682 661 HB3 LYS 84 3HB LYS 84 -8.401 6.337 -5.617 662 HG2 LYS 84 2HG LYS 84 -7.899 5.058 -3.433 663 HG3 LYS 84 3HG LYS 84 -8.084 6.609 -2.620 664 HD2 LYS 84 2HD LYS 84 -10.234 5.396 -4.397 665 HD3 LYS 84 3HD LYS 84 -10.143 5.100 -2.666 666 HE2 LYS 84 2HE LYS 84 -11.774 6.818 -3.043 667 HE3 LYS 84 3HE LYS 84 -10.372 7.575 -2.295 668 HZ1 LYS 84 3HZ LYS 84 -10.908 7.608 -5.217 669 HZ2 LYS 84 1HZ LYS 84 -9.742 8.504 -4.383 670 HZ3 LYS 84 2HZ LYS 84 -11.383 8.837 -4.160 671 H SER 85 H SER 85 -4.897 5.780 -6.899 672 HA SER 85 HA SER 85 -5.439 7.888 -8.831 673 HB2 SER 85 2HB SER 85 -3.615 8.947 -7.624 674 HB3 SER 85 3HB SER 85 -2.645 7.479 -7.687 675 HG SER 85 HG SER 85 -1.994 8.981 -9.267 676 H THR 86 H THR 86 -5.104 7.254 -10.912 677 HA THR 86 HA THR 86 -4.025 4.537 -11.429 678 HB THR 86 HB THR 86 -5.584 4.476 -13.412 679 HG1 THR 86 HG1 THR 86 -7.334 6.038 -13.376 680 HG21 THR 86 3HG2 THR 86 -7.705 4.107 -12.158 681 HG22 THR 86 1HG2 THR 86 -6.996 4.878 -10.739 682 HG23 THR 86 2HG2 THR 86 -6.329 3.361 -11.347 683 H ASP 87 H ASP 87 -1.910 5.284 -11.842 684 HA ASP 87 HA ASP 87 -1.343 6.531 -14.361 685 HB2 ASP 87 2HB ASP 87 -1.980 8.509 -12.836 686 HB3 ASP 87 3HB ASP 87 -0.554 8.135 -11.874 687 HA PRO 88 HA PRO 88 1.945 3.674 -13.365 688 HB2 PRO 88 2HB PRO 88 3.557 4.626 -15.646 689 HB3 PRO 88 3HB PRO 88 2.702 3.088 -15.452 690 HG2 PRO 88 2HG PRO 88 1.941 5.067 -17.198 691 HG3 PRO 88 3HG PRO 88 0.852 3.823 -16.556 692 HD2 PRO 88 2HD PRO 88 1.097 6.699 -15.790 693 HD3 PRO 88 3HD PRO 88 -0.332 5.642 -15.777 694 H GLU 89 H GLU 89 2.908 7.007 -14.232 695 HA GLU 89 HA GLU 89 5.568 6.623 -13.044 696 HB2 GLU 89 2HB GLU 89 6.108 8.848 -13.946 697 HB3 GLU 89 3HB GLU 89 5.484 7.774 -15.190 698 HG2 GLU 89 2HG GLU 89 3.294 8.896 -15.078 699 HG3 GLU 89 3HG GLU 89 3.902 9.964 -13.815 700 H GLU 90 H GLU 90 2.529 8.254 -12.343 701 HA GLU 90 HA GLU 90 3.563 9.926 -10.253 702 HB2 GLU 90 2HB GLU 90 1.481 10.476 -11.536 703 HB3 GLU 90 3HB GLU 90 0.660 9.136 -10.740 704 HG2 GLU 90 2HG GLU 90 1.044 10.229 -8.539 705 HG3 GLU 90 3HG GLU 90 1.837 11.574 -9.357 706 H LEU 91 H LEU 91 1.850 6.784 -10.344 707 HA LEU 91 HA LEU 91 1.705 6.479 -7.507 708 HB2 LEU 91 2HB LEU 91 1.611 4.404 -9.722 709 HB3 LEU 91 3HB LEU 91 1.437 3.987 -8.025 710 HG LEU 91 HG LEU 91 -0.458 5.748 -9.637 711 HD11 LEU 91 1HD1 LEU 91 -0.645 3.342 -10.146 712 HD12 LEU 91 2HD1 LEU 91 -2.081 3.945 -9.327 713 HD13 LEU 91 3HD1 LEU 91 -0.893 2.991 -8.434 714 HD21 LEU 91 3HD2 LEU 91 -1.875 5.787 -7.612 715 HD22 LEU 91 1HD2 LEU 91 -0.326 6.588 -7.351 716 HD23 LEU 91 2HD2 LEU 91 -0.601 4.969 -6.705 717 H THR 92 H THR 92 4.202 5.627 -9.893 718 HA THR 92 HA THR 92 5.911 4.121 -8.221 719 HB THR 92 HB THR 92 6.585 5.800 -10.676 720 HG1 THR 92 HG1 THR 92 5.089 3.801 -10.666 721 HG21 THR 92 3HG2 THR 92 8.651 5.329 -9.402 722 HG22 THR 92 1HG2 THR 92 8.612 4.381 -10.891 723 HG23 THR 92 2HG2 THR 92 8.236 3.615 -9.347 724 H GLN 93 H GLN 93 5.815 7.632 -8.957 725 HA GLN 93 HA GLN 93 8.104 8.229 -7.359 726 HB2 GLN 93 2HB GLN 93 7.642 10.585 -7.735 727 HB3 GLN 93 3HB GLN 93 7.487 9.682 -9.235 728 HG2 GLN 93 2HG GLN 93 5.002 9.699 -8.909 729 HG3 GLN 93 3HG GLN 93 5.238 10.772 -7.535 730 HE21 GLN 93 1HE2 GLN 93 5.539 10.473 -11.015 731 HE22 GLN 93 2HE2 GLN 93 5.545 12.170 -11.342 732 H ARG 94 H ARG 94 4.651 7.968 -6.667 733 HA ARG 94 HA ARG 94 4.640 9.316 -4.159 734 HB2 ARG 94 2HB ARG 94 2.818 7.136 -5.270 735 HB3 ARG 94 3HB ARG 94 2.551 7.891 -3.705 736 HG2 ARG 94 2HG ARG 94 2.540 9.337 -6.371 737 HG3 ARG 94 3HG ARG 94 1.114 8.854 -5.455 738 HD2 ARG 94 2HD ARG 94 1.761 10.351 -3.626 739 HD3 ARG 94 3HD ARG 94 3.233 10.809 -4.492 740 HE ARG 94 HE ARG 94 0.478 11.403 -5.404 741 HH11 ARG 94 1HH1 ARG 94 3.872 12.346 -5.216 742 HH12 ARG 94 2HH1 ARG 94 3.600 13.855 -6.038 743 HH21 ARG 94 1HH2 ARG 94 0.163 13.368 -6.442 744 HH22 ARG 94 2HH2 ARG 94 1.509 14.429 -6.729 745 H VAL 95 H VAL 95 5.096 5.902 -5.062 746 HA VAL 95 HA VAL 95 5.392 4.762 -2.515 747 HB VAL 95 HB VAL 95 6.664 3.945 -5.175 748 HG11 VAL 95 1HG1 VAL 95 6.416 2.286 -2.639 749 HG12 VAL 95 2HG1 VAL 95 7.912 2.884 -3.353 750 HG13 VAL 95 3HG1 VAL 95 6.948 1.680 -4.206 751 HG21 VAL 95 3HG2 VAL 95 4.128 2.943 -3.832 752 HG22 VAL 95 1HG2 VAL 95 4.813 2.309 -5.331 753 HG23 VAL 95 2HG2 VAL 95 4.213 3.964 -5.262 754 H ARG 96 H ARG 96 7.876 5.995 -4.790 755 HA ARG 96 HA ARG 96 10.066 5.277 -3.149 756 HB2 ARG 96 2HB ARG 96 11.499 6.329 -4.767 757 HB3 ARG 96 3HB ARG 96 10.207 5.518 -5.637 758 HG2 ARG 96 2HG ARG 96 9.075 7.705 -5.940 759 HG3 ARG 96 3HG ARG 96 10.422 8.499 -5.130 760 HD2 ARG 96 2HD ARG 96 10.605 6.913 -7.720 761 HD3 ARG 96 3HD ARG 96 10.570 8.673 -7.597 762 HE ARG 96 HE ARG 96 12.707 7.744 -6.046 763 HH11 ARG 96 1HH1 ARG 96 11.853 7.876 -9.481 764 HH12 ARG 96 2HH1 ARG 96 13.509 7.932 -9.998 765 HH21 ARG 96 1HH2 ARG 96 14.859 7.835 -6.764 766 HH22 ARG 96 2HH2 ARG 96 15.202 7.907 -8.463 767 H GLU 97 H GLU 97 8.346 8.387 -3.569 768 HA GLU 97 HA GLU 97 10.177 9.935 -2.014 769 HB2 GLU 97 2HB GLU 97 8.611 11.757 -2.171 770 HB3 GLU 97 3HB GLU 97 8.617 10.922 -3.717 771 HG2 GLU 97 2HG GLU 97 6.488 9.774 -3.058 772 HG3 GLU 97 3HG GLU 97 6.470 10.725 -1.577 773 H PHE 98 H PHE 98 7.140 8.207 -1.244 774 HA PHE 98 HA PHE 98 6.749 9.053 1.385 775 HB2 PHE 98 2HB PHE 98 5.063 7.782 0.129 776 HB3 PHE 98 3HB PHE 98 6.109 6.370 0.079 777 HD1 PHE 98 HD1 PHE 98 4.040 8.513 2.320 778 HD2 PHE 98 HD2 PHE 98 6.179 4.819 1.948 779 HE1 PHE 98 HE1 PHE 98 3.053 7.712 4.432 780 HE2 PHE 98 HE2 PHE 98 5.184 4.037 4.059 781 HZ PHE 98 HZ PHE 98 3.629 5.479 5.294 782 H LEU 99 H LEU 99 8.646 6.328 0.107 783 HA LEU 99 HA LEU 99 9.429 5.301 2.652 784 HB2 LEU 99 2HB LEU 99 10.656 4.884 -0.103 785 HB3 LEU 99 3HB LEU 99 11.036 3.921 1.320 786 HG LEU 99 HG LEU 99 8.282 4.088 0.022 787 HD11 LEU 99 1HD1 LEU 99 9.821 2.905 -1.442 788 HD12 LEU 99 2HD1 LEU 99 8.652 1.787 -0.744 789 HD13 LEU 99 3HD1 LEU 99 10.304 1.837 -0.122 790 HD21 LEU 99 3HD2 LEU 99 8.098 3.668 2.415 791 HD22 LEU 99 1HD2 LEU 99 9.243 2.326 2.297 792 HD23 LEU 99 2HD2 LEU 99 7.666 2.220 1.510 793 H LYS 100 H LYS 100 10.596 7.947 0.779 794 HA LYS 100 HA LYS 100 13.218 8.049 2.076 795 HB2 LYS 100 2HB LYS 100 12.008 9.346 -0.321 796 HB3 LYS 100 3HB LYS 100 13.107 10.377 0.585 797 HG2 LYS 100 2HG LYS 100 14.229 9.186 -1.267 798 HG3 LYS 100 3HG LYS 100 14.924 8.787 0.305 799 HD2 LYS 100 2HD LYS 100 13.662 6.648 0.305 800 HD3 LYS 100 3HD LYS 100 12.973 7.059 -1.267 801 HE2 LYS 100 2HE LYS 100 15.922 6.628 -0.680 802 HE3 LYS 100 3HE LYS 100 14.850 5.488 -1.494 803 HZ1 LYS 100 3HZ LYS 100 16.153 6.691 -3.099 804 HZ2 LYS 100 1HZ LYS 100 15.631 8.179 -2.487 805 HZ3 LYS 100 2HZ LYS 100 14.532 7.148 -3.252 806 H THR 101 H THR 101 10.042 9.605 2.432 807 HA THR 101 HA THR 101 11.209 11.657 4.212 808 HB THR 101 HB THR 101 9.581 12.478 2.549 809 HG1 THR 101 HG1 THR 101 9.485 12.941 5.179 810 HG21 THR 101 3HG2 THR 101 8.118 10.512 2.318 811 HG22 THR 101 1HG2 THR 101 7.172 11.947 2.723 812 HG23 THR 101 2HG2 THR 101 7.525 10.742 3.963 813 H ALA 102 H ALA 102 9.125 8.835 4.254 814 HA ALA 102 HA ALA 102 8.573 9.044 7.125 815 HB1 ALA 102 3HB ALA 102 7.687 6.983 5.068 816 HB2 ALA 102 1HB ALA 102 6.754 8.386 5.601 817 HB3 ALA 102 2HB ALA 102 7.117 7.085 6.737 818 H GLY 103 H GLY 103 11.158 8.048 5.382 819 HA2 GLY 103 2HA GLY 103 11.765 5.449 6.316 820 HA3 GLY 103 3HA GLY 103 12.900 6.603 5.639 821 H SER 104 H SER 104 12.979 8.643 7.386 822 HA SER 104 HA SER 104 13.650 7.572 10.049 823 HB2 SER 104 2HB SER 104 15.693 9.096 8.360 824 HB3 SER 104 3HB SER 104 15.953 8.360 9.944 825 HG SER 104 HG SER 104 15.502 7.074 7.461 826 H LEU 105 H LEU 105 12.134 9.952 8.331 827 HA LEU 105 HA LEU 105 13.066 12.228 9.977 828 HB2 LEU 105 2HB LEU 105 11.345 12.299 7.470 829 HB3 LEU 105 3HB LEU 105 12.082 13.673 8.275 830 HG LEU 105 HG LEU 105 13.542 11.482 6.753 831 HD11 LEU 105 1HD1 LEU 105 14.119 13.260 5.159 832 HD12 LEU 105 2HD1 LEU 105 13.144 14.413 6.074 833 HD13 LEU 105 3HD1 LEU 105 12.375 13.034 5.283 834 HD21 LEU 105 3HD2 LEU 105 14.722 13.883 8.192 835 HD22 LEU 105 1HD2 LEU 105 15.608 12.785 7.128 836 HD23 LEU 105 2HD2 LEU 105 14.920 12.186 8.634 837 H GLU 106 H GLU 106 11.787 12.898 11.628 838 HA GLU 106 HA GLU 106 9.054 11.985 11.921 839 HB2 GLU 106 2HB GLU 106 10.937 13.571 13.686 840 HB3 GLU 106 3HB GLU 106 9.226 13.464 14.074 841 HG2 GLU 106 2HG GLU 106 11.095 11.100 13.770 842 HG3 GLU 106 3HG GLU 106 10.597 11.812 15.302 843 H HIS 107 H HIS 107 8.615 13.132 9.797 844 HA HIS 107 HA HIS 107 7.527 15.834 10.212 845 HB2 HIS 107 2HB HIS 107 8.610 15.135 8.013 846 HB3 HIS 107 3HB HIS 107 7.319 13.961 7.795 847 HD1 HIS 107 HD1 HIS 107 5.611 14.786 6.202 848 HD2 HIS 107 HD2 HIS 107 7.314 17.923 8.339 849 HE1 HIS 107 HE1 HIS 107 4.533 16.872 5.315 850 HE2 HIS 107 HE2 HIS 107 5.496 18.738 6.693 851 H HIS 108 H HIS 108 6.646 13.980 12.023 852 HA HIS 108 HA HIS 108 4.490 12.302 11.085 853 HB2 HIS 108 2HB HIS 108 6.173 11.377 12.606 854 HB3 HIS 108 3HB HIS 108 5.852 12.633 13.799 855 HD1 HIS 108 HD1 HIS 108 4.146 12.076 15.552 856 HD2 HIS 108 HD2 HIS 108 3.856 9.592 12.228 857 HE1 HIS 108 HE1 HIS 108 2.388 10.379 16.124 858 HE2 HIS 108 HE2 HIS 108 2.202 8.928 14.080 859 H HIS 109 H HIS 109 2.366 12.345 11.878 860 HA HIS 109 HA HIS 109 1.513 14.494 13.702 861 HB2 HIS 109 2HB HIS 109 0.283 13.890 10.971 862 HB3 HIS 109 3HB HIS 109 -0.584 14.777 12.223 863 HD1 HIS 109 HD1 HIS 109 0.222 17.189 12.747 864 HD2 HIS 109 HD2 HIS 109 2.332 15.344 9.674 865 HE1 HIS 109 HE1 HIS 109 1.539 19.015 11.635 866 HE2 HIS 109 HE2 HIS 109 2.838 17.874 9.814 867 H HIS 110 H HIS 110 -0.504 14.035 14.770 868 HA HIS 110 HA HIS 110 -1.063 11.166 15.145 869 HB2 HIS 110 2HB HIS 110 -1.952 13.630 16.710 870 HB3 HIS 110 3HB HIS 110 -2.453 11.988 17.100 871 HD1 HIS 110 HD1 HIS 110 -0.803 10.521 18.378 872 HD2 HIS 110 HD2 HIS 110 0.800 14.193 17.274 873 HE1 HIS 110 HE1 HIS 110 1.390 10.700 19.591 874 HE2 HIS 110 HE2 HIS 110 2.277 12.970 18.998 875 H HIS 111 H HIS 111 -3.700 11.168 15.896 876 HA HIS 111 HA HIS 111 -5.822 11.016 15.211 877 HB2 HIS 111 2HB HIS 111 -5.981 13.399 14.875 878 HB3 HIS 111 3HB HIS 111 -5.086 13.325 13.362 879 HD1 HIS 111 HD1 HIS 111 -8.485 12.472 14.814 880 HD2 HIS 111 HD2 HIS 111 -6.642 12.919 11.114 881 HE1 HIS 111 HE1 HIS 111 -10.326 12.349 13.112 882 HE2 HIS 111 HE2 HIS 111 -9.172 12.485 10.894 883 H HIS 112 H HIS 112 -5.809 8.988 14.525 884 HA HIS 112 HA HIS 112 -6.141 8.581 11.657 885 HB2 HIS 112 2HB HIS 112 -4.966 6.258 11.919 886 HB3 HIS 112 3HB HIS 112 -3.954 7.684 11.736 887 HD1 HIS 112 HD1 HIS 112 -5.208 5.367 14.479 888 HD2 HIS 112 HD2 HIS 112 -2.083 7.999 13.707 889 HE1 HIS 112 HE1 HIS 112 -3.620 5.124 16.411 890 HE2 HIS 112 HE2 HIS 112 -1.712 6.659 15.877 Start of MODEL 15 1 H1 MET 1 1H MET 1 1.374 1.158 14.365 2 H2 MET 1 2H MET 1 1.915 0.207 15.655 3 H3 MET 1 3H MET 1 2.538 -0.035 14.111 4 HA MET 1 HA MET 1 2.822 2.441 15.668 5 HB2 MET 1 2HB MET 1 4.033 0.511 16.721 6 HB3 MET 1 3HB MET 1 4.870 0.221 15.202 7 HG2 MET 1 2HG MET 1 5.134 2.775 16.828 8 HG3 MET 1 3HG MET 1 6.249 1.410 16.916 9 HE1 MET 1 3HE MET 1 8.247 4.241 14.941 10 HE2 MET 1 1HE MET 1 8.277 3.195 16.362 11 HE3 MET 1 2HE MET 1 7.084 4.490 16.245 12 H GLY 2 H GLY 2 4.425 0.472 13.137 13 HA2 GLY 2 2HA GLY 2 5.639 2.514 11.691 14 HA3 GLY 2 3HA GLY 2 5.232 0.925 11.059 15 H LYS 3 H LYS 3 5.220 3.058 9.398 16 HA LYS 3 HA LYS 3 2.446 4.077 9.149 17 HB2 LYS 3 2HB LYS 3 4.362 5.707 9.602 18 HB3 LYS 3 3HB LYS 3 5.000 5.295 8.011 19 HG2 LYS 3 2HG LYS 3 2.785 6.081 7.042 20 HG3 LYS 3 3HG LYS 3 2.364 6.660 8.655 21 HD2 LYS 3 2HD LYS 3 4.651 7.598 6.903 22 HD3 LYS 3 3HD LYS 3 3.213 8.510 7.347 23 HE2 LYS 3 2HE LYS 3 3.956 8.615 9.675 24 HE3 LYS 3 3HE LYS 3 5.348 7.590 9.308 25 HZ1 LYS 3 3HZ LYS 3 6.248 9.277 7.920 26 HZ2 LYS 3 1HZ LYS 3 5.862 9.984 9.403 27 HZ3 LYS 3 2HZ LYS 3 4.869 10.237 8.063 28 H VAL 4 H VAL 4 1.340 3.615 7.248 29 HA VAL 4 HA VAL 4 2.792 2.126 5.130 30 HB VAL 4 HB VAL 4 -0.110 1.605 5.919 31 HG11 VAL 4 1HG1 VAL 4 1.855 -0.029 4.272 32 HG12 VAL 4 2HG1 VAL 4 0.504 0.919 3.641 33 HG13 VAL 4 3HG1 VAL 4 0.192 -0.492 4.654 34 HG21 VAL 4 3HG2 VAL 4 2.325 0.043 6.856 35 HG22 VAL 4 1HG2 VAL 4 0.640 -0.415 7.126 36 HG23 VAL 4 2HG2 VAL 4 1.288 1.049 7.869 37 H LEU 5 H LEU 5 2.281 2.580 3.029 38 HA LEU 5 HA LEU 5 0.333 4.687 2.373 39 HB2 LEU 5 2HB LEU 5 2.606 5.117 1.592 40 HB3 LEU 5 3HB LEU 5 2.711 3.521 0.870 41 HG LEU 5 HG LEU 5 0.973 4.177 -0.813 42 HD11 LEU 5 1HD1 LEU 5 -0.244 5.843 0.453 43 HD12 LEU 5 2HD1 LEU 5 0.326 6.526 -1.067 44 HD13 LEU 5 3HD1 LEU 5 1.154 6.923 0.445 45 HD21 LEU 5 3HD2 LEU 5 2.393 5.656 -2.152 46 HD22 LEU 5 1HD2 LEU 5 3.338 4.385 -1.378 47 HD23 LEU 5 2HD2 LEU 5 3.371 6.028 -0.729 48 H LEU 6 H LEU 6 -1.597 3.869 1.758 49 HA LEU 6 HA LEU 6 -1.905 1.191 0.659 50 HB2 LEU 6 2HB LEU 6 -3.434 2.142 2.439 51 HB3 LEU 6 3HB LEU 6 -3.995 3.324 1.273 52 HG LEU 6 HG LEU 6 -4.867 1.413 -0.154 53 HD11 LEU 6 1HD1 LEU 6 -4.144 -0.284 2.250 54 HD12 LEU 6 2HD1 LEU 6 -3.431 -0.377 0.636 55 HD13 LEU 6 3HD1 LEU 6 -5.122 -0.806 0.876 56 HD21 LEU 6 3HD2 LEU 6 -6.004 1.605 2.654 57 HD22 LEU 6 1HD2 LEU 6 -6.845 0.965 1.240 58 HD23 LEU 6 2HD2 LEU 6 -6.383 2.662 1.293 59 H VAL 7 H VAL 7 -1.289 1.158 -1.490 60 HA VAL 7 HA VAL 7 -2.020 3.297 -3.335 61 HB VAL 7 HB VAL 7 -0.500 0.699 -3.879 62 HG11 VAL 7 1HG1 VAL 7 -1.582 1.557 -5.934 63 HG12 VAL 7 2HG1 VAL 7 0.170 1.731 -6.031 64 HG13 VAL 7 3HG1 VAL 7 -0.837 3.138 -5.681 65 HG21 VAL 7 3HG2 VAL 7 1.530 2.110 -3.924 66 HG22 VAL 7 1HG2 VAL 7 0.736 2.174 -2.347 67 HG23 VAL 7 2HG2 VAL 7 0.566 3.520 -3.477 68 H ILE 8 H ILE 8 -4.084 3.256 -3.825 69 HA ILE 8 HA ILE 8 -5.482 0.823 -4.760 70 HB ILE 8 HB ILE 8 -6.516 3.598 -3.993 71 HG12 ILE 8 2HG1 ILE 8 -6.842 1.009 -2.418 72 HG13 ILE 8 3HG1 ILE 8 -5.640 2.248 -2.063 73 HG21 ILE 8 1HG2 ILE 8 -8.202 1.146 -4.603 74 HG22 ILE 8 2HG2 ILE 8 -7.982 2.530 -5.676 75 HG23 ILE 8 3HG2 ILE 8 -8.790 2.746 -4.122 76 HD11 ILE 8 3HD1 ILE 8 -7.534 2.452 -0.597 77 HD12 ILE 8 1HD1 ILE 8 -8.631 2.609 -1.967 78 HD13 ILE 8 2HD1 ILE 8 -7.429 3.862 -1.646 79 H SER 9 H SER 9 -6.571 1.000 -6.825 80 HA SER 9 HA SER 9 -6.512 3.311 -8.477 81 HB2 SER 9 2HB SER 9 -4.145 2.598 -8.852 82 HB3 SER 9 3HB SER 9 -4.704 1.005 -9.341 83 HG SER 9 HG SER 9 -4.661 3.367 -10.739 84 H THR 10 H THR 10 -7.838 3.064 -10.270 85 HA THR 10 HA THR 10 -9.833 0.985 -10.155 86 HB THR 10 HB THR 10 -9.445 3.160 -12.264 87 HG1 THR 10 HG1 THR 10 -11.089 3.402 -9.966 88 HG21 THR 10 3HG2 THR 10 -11.998 1.787 -11.333 89 HG22 THR 10 1HG2 THR 10 -11.172 1.464 -12.870 90 HG23 THR 10 2HG2 THR 10 -11.883 3.047 -12.560 91 H ASP 11 H ASP 11 -6.771 1.226 -11.604 92 HA ASP 11 HA ASP 11 -7.354 -0.832 -13.662 93 HB2 ASP 11 2HB ASP 11 -6.862 1.558 -14.527 94 HB3 ASP 11 3HB ASP 11 -5.219 1.331 -13.940 95 H THR 12 H THR 12 -6.564 -2.639 -12.756 96 HA THR 12 HA THR 12 -4.564 -2.776 -10.762 97 HB THR 12 HB THR 12 -5.699 -5.065 -12.435 98 HG1 THR 12 HG1 THR 12 -7.500 -4.458 -11.521 99 HG21 THR 12 3HG2 THR 12 -4.601 -5.078 -9.592 100 HG22 THR 12 1HG2 THR 12 -3.770 -5.738 -11.006 101 HG23 THR 12 2HG2 THR 12 -5.279 -6.462 -10.452 102 H ASN 13 H ASN 13 -4.339 -2.866 -14.276 103 HA ASN 13 HA ASN 13 -1.799 -4.166 -14.513 104 HB2 ASN 13 2HB ASN 13 -2.981 -2.076 -16.408 105 HB3 ASN 13 3HB ASN 13 -1.646 -3.166 -16.770 106 HD21 ASN 13 1HD2 ASN 13 -5.062 -2.802 -16.572 107 HD22 ASN 13 2HD2 ASN 13 -5.481 -4.369 -17.176 108 H ILE 14 H ILE 14 -2.842 -0.823 -13.912 109 HA ILE 14 HA ILE 14 -0.273 0.416 -14.214 110 HB ILE 14 HB ILE 14 -2.756 1.360 -12.703 111 HG12 ILE 14 2HG1 ILE 14 -3.183 1.082 -15.124 112 HG13 ILE 14 3HG1 ILE 14 -3.211 2.782 -14.690 113 HG21 ILE 14 1HG2 ILE 14 -1.794 3.641 -12.795 114 HG22 ILE 14 2HG2 ILE 14 -0.307 2.981 -13.478 115 HG23 ILE 14 3HG2 ILE 14 -0.796 2.541 -11.841 116 HD11 ILE 14 3HD1 ILE 14 -0.971 3.058 -15.655 117 HD12 ILE 14 1HD1 ILE 14 -2.131 2.424 -16.822 118 HD13 ILE 14 2HD1 ILE 14 -0.951 1.344 -16.084 119 H ILE 15 H ILE 15 -2.154 -0.793 -11.443 120 HA ILE 15 HA ILE 15 -0.436 -0.299 -9.301 121 HB ILE 15 HB ILE 15 -2.294 -2.686 -9.762 122 HG12 ILE 15 2HG1 ILE 15 -2.719 -0.081 -8.226 123 HG13 ILE 15 3HG1 ILE 15 -3.439 -0.503 -9.775 124 HG21 ILE 15 1HG2 ILE 15 -2.268 -3.078 -7.321 125 HG22 ILE 15 2HG2 ILE 15 -1.041 -1.824 -7.128 126 HG23 ILE 15 3HG2 ILE 15 -0.664 -3.296 -8.024 127 HD11 ILE 15 3HD1 ILE 15 -5.048 -0.732 -8.004 128 HD12 ILE 15 1HD1 ILE 15 -3.990 -1.839 -7.126 129 HD13 ILE 15 2HD1 ILE 15 -4.685 -2.320 -8.678 130 H SER 16 H SER 16 -0.473 -3.045 -11.567 131 HA SER 16 HA SER 16 1.613 -4.523 -10.315 132 HB2 SER 16 2HB SER 16 0.450 -4.757 -13.117 133 HB3 SER 16 3HB SER 16 1.488 -5.953 -12.334 134 HG SER 16 HG SER 16 -1.145 -5.698 -12.146 135 H SER 17 H SER 17 1.577 -2.134 -12.981 136 HA SER 17 HA SER 17 4.226 -2.417 -13.887 137 HB2 SER 17 2HB SER 17 2.603 0.162 -13.719 138 HB3 SER 17 3HB SER 17 3.994 -0.130 -14.768 139 HG SER 17 HG SER 17 1.992 -2.001 -14.990 140 H VAL 18 H VAL 18 2.874 -0.360 -11.377 141 HA VAL 18 HA VAL 18 5.328 0.880 -10.551 142 HB VAL 18 HB VAL 18 2.649 0.688 -9.093 143 HG11 VAL 18 1HG1 VAL 18 4.443 1.396 -7.569 144 HG12 VAL 18 2HG1 VAL 18 3.344 2.736 -7.896 145 HG13 VAL 18 3HG1 VAL 18 4.919 2.673 -8.691 146 HG21 VAL 18 3HG2 VAL 18 2.436 1.652 -11.367 147 HG22 VAL 18 1HG2 VAL 18 3.644 2.872 -10.964 148 HG23 VAL 18 2HG2 VAL 18 2.095 2.843 -10.117 149 H GLN 19 H GLN 19 3.495 -1.934 -9.546 150 HA GLN 19 HA GLN 19 4.743 -2.633 -7.129 151 HB2 GLN 19 2HB GLN 19 2.670 -3.681 -7.832 152 HB3 GLN 19 3HB GLN 19 3.410 -4.289 -9.304 153 HG2 GLN 19 2HG GLN 19 4.843 -5.791 -7.887 154 HG3 GLN 19 3HG GLN 19 3.934 -5.245 -6.479 155 HE21 GLN 19 1HE2 GLN 19 1.341 -5.166 -7.859 156 HE22 GLN 19 2HE2 GLN 19 0.880 -6.814 -8.092 157 H GLU 20 H GLU 20 5.373 -3.862 -10.446 158 HA GLU 20 HA GLU 20 7.617 -5.459 -9.896 159 HB2 GLU 20 2HB GLU 20 6.835 -4.043 -12.478 160 HB3 GLU 20 3HB GLU 20 8.071 -5.297 -12.370 161 HG2 GLU 20 2HG GLU 20 6.414 -6.961 -11.767 162 HG3 GLU 20 3HG GLU 20 5.155 -5.730 -11.647 163 H ARG 21 H ARG 21 7.346 -2.046 -10.866 164 HA ARG 21 HA ARG 21 10.097 -1.574 -11.357 165 HB2 ARG 21 2HB ARG 21 8.282 -0.155 -12.253 166 HB3 ARG 21 3HB ARG 21 7.881 0.383 -10.624 167 HG2 ARG 21 2HG ARG 21 10.066 1.493 -10.424 168 HG3 ARG 21 3HG ARG 21 10.540 0.883 -12.011 169 HD2 ARG 21 2HD ARG 21 8.284 2.832 -11.437 170 HD3 ARG 21 3HD ARG 21 9.853 3.235 -12.143 171 HE ARG 21 HE ARG 21 9.060 1.516 -13.948 172 HH11 ARG 21 1HH1 ARG 21 7.017 3.932 -12.381 173 HH12 ARG 21 2HH1 ARG 21 5.961 4.078 -13.747 174 HH21 ARG 21 1HH2 ARG 21 7.666 1.729 -15.707 175 HH22 ARG 21 2HH2 ARG 21 6.326 2.833 -15.631 176 H ALA 22 H ALA 22 8.036 -0.845 -8.542 177 HA ALA 22 HA ALA 22 10.041 0.427 -6.983 178 HB1 ALA 22 3HB ALA 22 7.639 0.837 -6.654 179 HB2 ALA 22 1HB ALA 22 8.410 0.325 -5.150 180 HB3 ALA 22 2HB ALA 22 7.430 -0.815 -6.074 181 H LYS 23 H LYS 23 8.942 -2.937 -7.190 182 HA LYS 23 HA LYS 23 10.496 -3.966 -5.019 183 HB2 LYS 23 2HB LYS 23 9.191 -5.315 -7.410 184 HB3 LYS 23 3HB LYS 23 10.065 -6.218 -6.174 185 HG2 LYS 23 2HG LYS 23 8.484 -5.508 -4.467 186 HG3 LYS 23 3HG LYS 23 7.655 -4.461 -5.619 187 HD2 LYS 23 2HD LYS 23 6.373 -6.521 -5.298 188 HD3 LYS 23 3HD LYS 23 6.992 -6.445 -6.948 189 HE2 LYS 23 2HE LYS 23 8.849 -7.991 -6.272 190 HE3 LYS 23 3HE LYS 23 8.113 -8.117 -4.670 191 HZ1 LYS 23 3HZ LYS 23 6.861 -8.935 -7.240 192 HZ2 LYS 23 1HZ LYS 23 6.113 -9.008 -5.726 193 HZ3 LYS 23 2HZ LYS 23 7.462 -9.968 -6.044 194 H HIS 24 H HIS 24 11.175 -3.438 -8.464 195 HA HIS 24 HA HIS 24 13.717 -4.889 -8.371 196 HB2 HIS 24 2HB HIS 24 12.372 -3.297 -10.594 197 HB3 HIS 24 3HB HIS 24 13.949 -4.059 -10.772 198 HD1 HIS 24 HD1 HIS 24 12.092 -5.049 -12.760 199 HD2 HIS 24 HD2 HIS 24 12.097 -6.664 -8.924 200 HE1 HIS 24 HE1 HIS 24 11.015 -7.304 -12.971 201 HE2 HIS 24 HE2 HIS 24 10.949 -8.217 -10.630 202 H ASN 25 H ASN 25 12.617 -1.649 -7.889 203 HA ASN 25 HA ASN 25 15.208 -0.369 -8.306 204 HB2 ASN 25 2HB ASN 25 12.473 0.684 -7.454 205 HB3 ASN 25 3HB ASN 25 13.912 1.695 -7.420 206 HD21 ASN 25 1HD2 ASN 25 13.215 -0.712 -9.962 207 HD22 ASN 25 2HD2 ASN 25 12.998 0.449 -11.215 208 H TYR 26 H TYR 26 13.302 -1.704 -5.707 209 HA TYR 26 HA TYR 26 15.242 -0.754 -3.669 210 HB2 TYR 26 2HB TYR 26 12.197 -1.058 -3.410 211 HB3 TYR 26 3HB TYR 26 13.278 -0.699 -2.061 212 HD1 TYR 26 HD1 TYR 26 14.903 1.364 -2.428 213 HD2 TYR 26 HD2 TYR 26 11.245 0.804 -4.572 214 HE1 TYR 26 HE1 TYR 26 14.921 3.726 -3.071 215 HE2 TYR 26 HE2 TYR 26 11.257 3.178 -5.208 216 HH TYR 26 HH TYR 26 13.988 5.088 -4.987 217 HA PRO 27 HA PRO 27 15.613 -5.101 -2.536 218 HB2 PRO 27 2HB PRO 27 16.132 -5.083 0.125 219 HB3 PRO 27 3HB PRO 27 17.247 -4.300 -1.022 220 HG2 PRO 27 2HG PRO 27 15.085 -3.033 0.665 221 HG3 PRO 27 3HG PRO 27 16.783 -2.531 0.463 222 HD2 PRO 27 2HD PRO 27 14.743 -1.381 -0.943 223 HD3 PRO 27 3HD PRO 27 16.388 -1.533 -1.604 224 H GLY 28 H GLY 28 12.858 -4.339 -2.806 225 HA2 GLY 28 2HA GLY 28 10.721 -4.960 -2.326 226 HA3 GLY 28 3HA GLY 28 11.426 -6.390 -1.587 227 H ARG 29 H ARG 29 10.058 -6.509 0.170 228 HA ARG 29 HA ARG 29 9.531 -6.374 2.333 229 HB2 ARG 29 2HB ARG 29 11.763 -4.322 2.642 230 HB3 ARG 29 3HB ARG 29 11.023 -5.269 3.936 231 HG2 ARG 29 2HG ARG 29 11.911 -7.351 2.859 232 HG3 ARG 29 3HG ARG 29 12.721 -6.345 1.655 233 HD2 ARG 29 2HD ARG 29 13.992 -5.242 3.524 234 HD3 ARG 29 3HD ARG 29 13.253 -6.389 4.649 235 HE ARG 29 HE ARG 29 15.270 -6.956 2.592 236 HH11 ARG 29 1HH1 ARG 29 13.276 -8.231 5.214 237 HH12 ARG 29 2HH1 ARG 29 14.189 -9.696 5.343 238 HH21 ARG 29 1HH2 ARG 29 16.407 -8.888 2.753 239 HH22 ARG 29 2HH2 ARG 29 15.969 -10.067 3.941 240 H TYR 30 H TYR 30 10.540 -3.016 1.895 241 HA TYR 30 HA TYR 30 8.471 -1.579 2.984 242 HB2 TYR 30 2HB TYR 30 10.127 -0.889 0.518 243 HB3 TYR 30 3HB TYR 30 9.208 0.264 1.476 244 HD1 TYR 30 HD1 TYR 30 9.908 0.734 3.857 245 HD2 TYR 30 HD2 TYR 30 12.350 -1.544 1.186 246 HE1 TYR 30 HE1 TYR 30 11.835 1.121 5.311 247 HE2 TYR 30 HE2 TYR 30 14.290 -1.173 2.644 248 HH TYR 30 HH TYR 30 14.089 -0.160 5.757 249 H ILE 31 H ILE 31 8.616 -3.140 -0.164 250 HA ILE 31 HA ILE 31 5.897 -2.205 -0.843 251 HB ILE 31 HB ILE 31 7.999 -3.633 -2.540 252 HG12 ILE 31 2HG1 ILE 31 7.697 -1.546 -4.020 253 HG13 ILE 31 3HG1 ILE 31 6.777 -0.833 -2.704 254 HG21 ILE 31 1HG2 ILE 31 5.833 -4.578 -3.144 255 HG22 ILE 31 2HG2 ILE 31 6.363 -3.498 -4.434 256 HG23 ILE 31 3HG2 ILE 31 5.130 -2.967 -3.289 257 HD11 ILE 31 3HD1 ILE 31 9.058 -0.008 -2.778 258 HD12 ILE 31 1HD1 ILE 31 9.683 -1.649 -2.607 259 HD13 ILE 31 2HD1 ILE 31 8.775 -0.906 -1.288 260 H ARG 32 H ARG 32 4.293 -3.468 -0.340 261 HA ARG 32 HA ARG 32 4.527 -6.403 -0.278 262 HB2 ARG 32 2HB ARG 32 4.580 -5.379 2.053 263 HB3 ARG 32 3HB ARG 32 2.991 -4.690 1.745 264 HG2 ARG 32 2HG ARG 32 2.852 -6.734 3.108 265 HG3 ARG 32 3HG ARG 32 2.017 -6.933 1.565 266 HD2 ARG 32 2HD ARG 32 3.360 -8.924 2.230 267 HD3 ARG 32 3HD ARG 32 3.864 -8.241 0.679 268 HE ARG 32 HE ARG 32 5.292 -7.511 3.159 269 HH11 ARG 32 1HH1 ARG 32 5.385 -9.074 0.011 270 HH12 ARG 32 2HH1 ARG 32 7.110 -9.221 0.009 271 HH21 ARG 32 1HH2 ARG 32 7.537 -7.676 3.132 272 HH22 ARG 32 2HH2 ARG 32 8.334 -8.423 1.788 273 H THR 33 H THR 33 2.679 -7.445 -1.087 274 HA THR 33 HA THR 33 0.590 -5.710 -2.294 275 HB THR 33 HB THR 33 0.295 -7.513 -4.000 276 HG1 THR 33 HG1 THR 33 1.142 -9.395 -3.539 277 HG21 THR 33 3HG2 THR 33 1.798 -5.617 -4.522 278 HG22 THR 33 1HG2 THR 33 2.371 -7.109 -5.272 279 HG23 THR 33 2HG2 THR 33 3.159 -6.495 -3.817 280 H ALA 34 H ALA 34 -1.521 -6.260 -1.989 281 HA ALA 34 HA ALA 34 -2.173 -8.613 -0.321 282 HB1 ALA 34 3HB ALA 34 -3.832 -7.232 0.852 283 HB2 ALA 34 1HB ALA 34 -3.338 -5.815 -0.083 284 HB3 ALA 34 2HB ALA 34 -2.210 -6.565 1.049 285 H THR 35 H THR 35 -3.378 -9.927 -1.489 286 HA THR 35 HA THR 35 -5.251 -8.914 -3.544 287 HB THR 35 HB THR 35 -3.619 -10.535 -4.376 288 HG1 THR 35 HG1 THR 35 -5.816 -10.585 -5.155 289 HG21 THR 35 3HG2 THR 35 -4.742 -12.515 -2.356 290 HG22 THR 35 1HG2 THR 35 -3.133 -11.778 -2.288 291 HG23 THR 35 2HG2 THR 35 -3.550 -12.873 -3.607 292 H SER 36 H SER 36 -5.140 -10.173 -0.380 293 HA SER 36 HA SER 36 -8.069 -10.444 -0.290 294 HB2 SER 36 2HB SER 36 -6.131 -12.332 1.121 295 HB3 SER 36 3HB SER 36 -7.892 -12.398 1.195 296 HG SER 36 HG SER 36 -6.385 -13.658 -0.473 297 H SER 37 H SER 37 -8.930 -10.201 1.859 298 HA SER 37 HA SER 37 -7.886 -8.055 3.373 299 HB2 SER 37 2HB SER 37 -9.765 -8.590 4.912 300 HB3 SER 37 3HB SER 37 -10.279 -8.533 3.225 301 HG SER 37 HG SER 37 -11.035 -10.446 3.593 302 H GLN 38 H GLN 38 -7.520 -11.535 3.637 303 HA GLN 38 HA GLN 38 -6.463 -11.626 6.273 304 HB2 GLN 38 2HB GLN 38 -6.234 -13.555 3.932 305 HB3 GLN 38 3HB GLN 38 -5.433 -13.862 5.468 306 HG2 GLN 38 2HG GLN 38 -7.493 -15.094 5.434 307 HG3 GLN 38 3HG GLN 38 -7.641 -13.790 6.609 308 HE21 GLN 38 1HE2 GLN 38 -7.987 -13.531 3.076 309 HE22 GLN 38 2HE2 GLN 38 -9.651 -13.069 3.106 310 H ASP 39 H ASP 39 -4.919 -11.202 3.043 311 HA ASP 39 HA ASP 39 -2.246 -11.014 3.937 312 HB2 ASP 39 2HB ASP 39 -3.562 -9.531 1.607 313 HB3 ASP 39 3HB ASP 39 -1.826 -9.642 1.876 314 H ILE 40 H ILE 40 -4.761 -8.533 3.478 315 HA ILE 40 HA ILE 40 -3.315 -6.235 4.105 316 HB ILE 40 HB ILE 40 -6.260 -6.920 4.152 317 HG12 ILE 40 2HG1 ILE 40 -4.503 -5.109 2.449 318 HG13 ILE 40 3HG1 ILE 40 -5.290 -6.604 1.968 319 HG21 ILE 40 1HG2 ILE 40 -6.896 -4.589 4.640 320 HG22 ILE 40 2HG2 ILE 40 -5.210 -4.204 4.988 321 HG23 ILE 40 3HG2 ILE 40 -6.083 -5.347 6.008 322 HD11 ILE 40 3HD1 ILE 40 -7.472 -5.448 2.181 323 HD12 ILE 40 1HD1 ILE 40 -6.399 -4.765 0.962 324 HD13 ILE 40 2HD1 ILE 40 -6.600 -3.950 2.511 325 H ARG 41 H ARG 41 -5.458 -8.060 6.334 326 HA ARG 41 HA ARG 41 -4.850 -6.420 8.578 327 HB2 ARG 41 2HB ARG 41 -6.266 -9.097 8.312 328 HB3 ARG 41 3HB ARG 41 -6.084 -8.267 9.860 329 HG2 ARG 41 2HG ARG 41 -7.341 -6.339 9.032 330 HG3 ARG 41 3HG ARG 41 -7.453 -7.057 7.425 331 HD2 ARG 41 2HD ARG 41 -8.591 -8.530 9.808 332 HD3 ARG 41 3HD ARG 41 -9.497 -7.203 9.085 333 HE ARG 41 HE ARG 41 -9.548 -8.441 6.998 334 HH11 ARG 41 1HH1 ARG 41 -8.680 -10.351 9.828 335 HH12 ARG 41 2HH1 ARG 41 -9.169 -11.850 9.103 336 HH21 ARG 41 1HH2 ARG 41 -10.224 -10.395 6.093 337 HH22 ARG 41 2HH2 ARG 41 -10.044 -11.874 6.984 338 H ASP 42 H ASP 42 -3.399 -9.353 7.280 339 HA ASP 42 HA ASP 42 -1.691 -10.055 9.439 340 HB2 ASP 42 2HB ASP 42 -1.978 -11.644 7.649 341 HB3 ASP 42 3HB ASP 42 -1.519 -10.467 6.431 342 H ILE 43 H ILE 43 -1.449 -7.708 6.809 343 HA ILE 43 HA ILE 43 1.297 -6.999 7.092 344 HB ILE 43 HB ILE 43 -1.091 -5.584 5.844 345 HG12 ILE 43 2HG1 ILE 43 1.324 -6.790 4.425 346 HG13 ILE 43 3HG1 ILE 43 -0.125 -7.719 4.775 347 HG21 ILE 43 1HG2 ILE 43 0.493 -4.003 4.778 348 HG22 ILE 43 2HG2 ILE 43 1.786 -4.654 5.777 349 HG23 ILE 43 3HG2 ILE 43 0.426 -3.821 6.531 350 HD11 ILE 43 3HD1 ILE 43 -0.157 -6.950 2.496 351 HD12 ILE 43 1HD1 ILE 43 0.036 -5.276 3.013 352 HD13 ILE 43 2HD1 ILE 43 -1.443 -6.157 3.401 353 H ILE 44 H ILE 44 -1.734 -5.585 8.286 354 HA ILE 44 HA ILE 44 -0.642 -3.364 9.654 355 HB ILE 44 HB ILE 44 -3.294 -4.823 10.046 356 HG12 ILE 44 2HG1 ILE 44 -2.610 -2.315 8.434 357 HG13 ILE 44 3HG1 ILE 44 -2.901 -3.911 7.752 358 HG21 ILE 44 1HG2 ILE 44 -4.129 -2.758 11.133 359 HG22 ILE 44 2HG2 ILE 44 -2.513 -2.053 11.043 360 HG23 ILE 44 3HG2 ILE 44 -2.800 -3.473 12.050 361 HD11 ILE 44 3HD1 ILE 44 -5.206 -3.818 8.576 362 HD12 ILE 44 1HD1 ILE 44 -4.812 -2.506 7.468 363 HD13 ILE 44 2HD1 ILE 44 -4.900 -2.193 9.199 364 H LYS 45 H LYS 45 -1.491 -6.664 10.760 365 HA LYS 45 HA LYS 45 -0.861 -6.485 13.476 366 HB2 LYS 45 2HB LYS 45 -0.606 -8.788 11.518 367 HB3 LYS 45 3HB LYS 45 -0.229 -8.986 13.225 368 HG2 LYS 45 2HG LYS 45 -2.521 -8.524 13.858 369 HG3 LYS 45 3HG LYS 45 -2.941 -8.082 12.200 370 HD2 LYS 45 2HD LYS 45 -3.718 -10.378 12.746 371 HD3 LYS 45 3HD LYS 45 -2.532 -10.385 11.439 372 HE2 LYS 45 2HE LYS 45 -0.769 -10.995 13.137 373 HE3 LYS 45 3HE LYS 45 -2.046 -11.131 14.348 374 HZ1 LYS 45 3HZ LYS 45 -3.065 -12.866 12.989 375 HZ2 LYS 45 1HZ LYS 45 -1.490 -13.275 13.438 376 HZ3 LYS 45 2HZ LYS 45 -1.804 -12.747 11.865 377 H SER 46 H SER 46 1.266 -7.072 10.679 378 HA SER 46 HA SER 46 3.669 -7.443 12.152 379 HB2 SER 46 2HB SER 46 3.387 -8.313 9.855 380 HB3 SER 46 3HB SER 46 3.246 -6.672 9.232 381 HG SER 46 HG SER 46 5.514 -7.856 10.457 382 H MET 47 H MET 47 2.034 -4.633 10.777 383 HA MET 47 HA MET 47 4.244 -2.818 11.053 384 HB2 MET 47 2HB MET 47 1.290 -2.277 10.518 385 HB3 MET 47 3HB MET 47 2.561 -1.055 10.457 386 HG2 MET 47 2HG MET 47 2.300 -3.469 8.651 387 HG3 MET 47 3HG MET 47 2.029 -1.788 8.212 388 HE1 MET 47 3HE MET 47 5.660 -0.318 8.358 389 HE2 MET 47 1HE MET 47 4.500 -0.323 9.686 390 HE3 MET 47 2HE MET 47 3.957 0.018 8.044 391 H LYS 48 H LYS 48 1.941 -4.055 13.256 392 HA LYS 48 HA LYS 48 2.107 -1.895 15.188 393 HB2 LYS 48 2HB LYS 48 1.314 -4.815 15.643 394 HB3 LYS 48 3HB LYS 48 1.042 -3.470 16.755 395 HG2 LYS 48 2HG LYS 48 -0.400 -2.418 14.931 396 HG3 LYS 48 3HG LYS 48 -0.277 -3.953 14.071 397 HD2 LYS 48 2HD LYS 48 -1.449 -3.570 16.850 398 HD3 LYS 48 3HD LYS 48 -2.379 -3.744 15.363 399 HE2 LYS 48 2HE LYS 48 -1.555 -6.031 15.082 400 HE3 LYS 48 3HE LYS 48 -0.531 -5.862 16.508 401 HZ1 LYS 48 3HZ LYS 48 -2.551 -7.022 17.067 402 HZ2 LYS 48 1HZ LYS 48 -3.498 -5.751 16.476 403 HZ3 LYS 48 2HZ LYS 48 -2.534 -5.519 17.843 404 H ASP 49 H ASP 49 3.684 -4.940 14.492 405 HA ASP 49 HA ASP 49 5.394 -5.047 16.784 406 HB2 ASP 49 2HB ASP 49 4.720 -7.123 15.765 407 HB3 ASP 49 3HB ASP 49 5.263 -6.604 14.172 408 H ASN 50 H ASN 50 5.783 -3.855 13.438 409 HA ASN 50 HA ASN 50 8.588 -3.091 14.038 410 HB2 ASN 50 2HB ASN 50 9.165 -3.233 11.758 411 HB3 ASN 50 3HB ASN 50 8.126 -4.626 12.002 412 HD21 ASN 50 1HD2 ASN 50 6.222 -4.758 10.814 413 HD22 ASN 50 2HD2 ASN 50 5.760 -3.597 9.618 414 H GLY 51 H GLY 51 9.272 -1.082 12.688 415 HA2 GLY 51 2HA GLY 51 7.235 1.051 12.730 416 HA3 GLY 51 3HA GLY 51 8.658 1.211 13.745 417 H LYS 52 H LYS 52 8.550 -0.164 10.481 418 HA LYS 52 HA LYS 52 10.116 2.105 9.408 419 HB2 LYS 52 2HB LYS 52 9.721 -0.755 8.423 420 HB3 LYS 52 3HB LYS 52 10.357 0.497 7.369 421 HG2 LYS 52 2HG LYS 52 12.299 -0.530 8.138 422 HG3 LYS 52 3HG LYS 52 12.158 0.869 9.197 423 HD2 LYS 52 2HD LYS 52 12.794 -1.045 10.531 424 HD3 LYS 52 3HD LYS 52 11.130 -0.615 10.946 425 HE2 LYS 52 2HE LYS 52 10.283 -2.438 9.549 426 HE3 LYS 52 3HE LYS 52 11.922 -2.816 9.009 427 HZ1 LYS 52 3HZ LYS 52 10.991 -2.998 11.814 428 HZ2 LYS 52 1HZ LYS 52 12.507 -3.448 11.223 429 HZ3 LYS 52 2HZ LYS 52 11.129 -4.297 10.749 430 HA PRO 53 HA PRO 53 6.550 3.153 6.698 431 HB2 PRO 53 2HB PRO 53 7.728 3.922 4.344 432 HB3 PRO 53 3HB PRO 53 7.813 4.931 5.808 433 HG2 PRO 53 2HG PRO 53 9.878 3.025 4.722 434 HG3 PRO 53 3HG PRO 53 10.092 4.687 5.325 435 HD2 PRO 53 2HD PRO 53 10.627 2.521 6.883 436 HD3 PRO 53 3HD PRO 53 9.998 4.035 7.566 437 H LEU 54 H LEU 54 5.247 2.047 5.235 438 HA LEU 54 HA LEU 54 6.374 -0.147 3.626 439 HB2 LEU 54 2HB LEU 54 5.115 -0.744 5.976 440 HB3 LEU 54 3HB LEU 54 3.704 -0.629 4.943 441 HG LEU 54 HG LEU 54 4.888 -2.333 3.391 442 HD11 LEU 54 1HD1 LEU 54 6.603 -3.750 4.404 443 HD12 LEU 54 2HD1 LEU 54 6.640 -2.717 5.835 444 HD13 LEU 54 3HD1 LEU 54 7.152 -2.082 4.267 445 HD21 LEU 54 3HD2 LEU 54 4.150 -4.264 4.667 446 HD22 LEU 54 1HD2 LEU 54 2.988 -2.949 4.828 447 HD23 LEU 54 2HD2 LEU 54 4.101 -3.307 6.151 448 H VAL 55 H VAL 55 4.553 -0.951 2.090 449 HA VAL 55 HA VAL 55 2.778 1.150 1.109 450 HB VAL 55 HB VAL 55 5.014 0.032 -0.668 451 HG11 VAL 55 1HG1 VAL 55 4.094 1.485 -2.442 452 HG12 VAL 55 2HG1 VAL 55 2.777 1.966 -1.368 453 HG13 VAL 55 3HG1 VAL 55 2.910 0.291 -1.909 454 HG21 VAL 55 3HG2 VAL 55 4.595 2.904 0.263 455 HG22 VAL 55 1HG2 VAL 55 5.828 2.361 -0.879 456 HG23 VAL 55 2HG2 VAL 55 5.882 1.820 0.795 457 H VAL 56 H VAL 56 0.961 -0.092 1.109 458 HA VAL 56 HA VAL 56 0.995 -2.886 0.202 459 HB VAL 56 HB VAL 56 -1.205 -1.262 1.560 460 HG11 VAL 56 1HG1 VAL 56 -1.224 -4.221 0.824 461 HG12 VAL 56 2HG1 VAL 56 -2.244 -2.967 0.112 462 HG13 VAL 56 3HG1 VAL 56 -2.442 -3.405 1.810 463 HG21 VAL 56 3HG2 VAL 56 0.520 -3.522 2.635 464 HG22 VAL 56 1HG2 VAL 56 -0.745 -2.666 3.522 465 HG23 VAL 56 2HG2 VAL 56 0.715 -1.812 3.021 466 H PHE 57 H PHE 57 0.796 -3.126 -1.934 467 HA PHE 57 HA PHE 57 -0.887 -1.453 -3.615 468 HB2 PHE 57 2HB PHE 57 0.815 -3.933 -4.159 469 HB3 PHE 57 3HB PHE 57 -0.189 -3.182 -5.395 470 HD1 PHE 57 HD2 PHE 57 2.801 -2.680 -3.232 471 HD2 PHE 57 HD1 PHE 57 0.491 -1.143 -6.491 472 HE1 PHE 57 HE2 PHE 57 4.600 -1.095 -3.781 473 HE2 PHE 57 HE1 PHE 57 2.294 0.422 -7.024 474 HZ PHE 57 HZ PHE 57 4.350 0.455 -5.671 475 H VAL 58 H VAL 58 -3.042 -1.768 -3.515 476 HA VAL 58 HA VAL 58 -4.265 -4.288 -2.737 477 HB VAL 58 HB VAL 58 -5.600 -1.771 -3.878 478 HG11 VAL 58 1HG1 VAL 58 -7.049 -3.752 -4.088 479 HG12 VAL 58 2HG1 VAL 58 -7.691 -2.642 -2.876 480 HG13 VAL 58 3HG1 VAL 58 -6.846 -4.107 -2.369 481 HG21 VAL 58 3HG2 VAL 58 -4.391 -1.249 -1.796 482 HG22 VAL 58 1HG2 VAL 58 -5.226 -2.565 -0.963 483 HG23 VAL 58 2HG2 VAL 58 -6.137 -1.166 -1.544 484 H ASN 59 H ASN 59 -3.434 -5.700 -4.305 485 HA ASN 59 HA ASN 59 -4.090 -5.214 -7.155 486 HB2 ASN 59 2HB ASN 59 -1.667 -5.437 -6.549 487 HB3 ASN 59 3HB ASN 59 -1.985 -7.043 -5.903 488 HD21 ASN 59 1HD2 ASN 59 -1.687 -5.116 -8.803 489 HD22 ASN 59 2HD2 ASN 59 -1.622 -6.438 -9.914 490 H GLY 60 H GLY 60 -6.009 -6.177 -7.581 491 HA2 GLY 60 2HA GLY 60 -7.508 -7.879 -7.993 492 HA3 GLY 60 3HA GLY 60 -6.316 -9.034 -7.404 493 H ALA 61 H ALA 61 -7.781 -6.256 -5.760 494 HA ALA 61 HA ALA 61 -9.411 -7.962 -4.005 495 HB1 ALA 61 3HB ALA 61 -7.276 -7.709 -2.794 496 HB2 ALA 61 1HB ALA 61 -8.566 -6.834 -1.965 497 HB3 ALA 61 2HB ALA 61 -7.383 -5.956 -2.938 498 H SER 62 H SER 62 -10.974 -6.636 -2.748 499 HA SER 62 HA SER 62 -12.060 -4.517 -4.500 500 HB2 SER 62 2HB SER 62 -13.447 -6.356 -2.493 501 HB3 SER 62 3HB SER 62 -14.255 -5.185 -3.534 502 HG SER 62 HG SER 62 -12.839 -7.514 -4.305 503 H GLN 63 H GLN 63 -13.677 -3.055 -3.207 504 HA GLN 63 HA GLN 63 -12.246 -1.418 -1.387 505 HB2 GLN 63 2HB GLN 63 -14.051 -0.586 -2.925 506 HB3 GLN 63 3HB GLN 63 -15.245 -1.422 -1.947 507 HG2 GLN 63 2HG GLN 63 -15.244 0.950 -1.401 508 HG3 GLN 63 3HG GLN 63 -14.664 0.028 -0.012 509 HE21 GLN 63 1HE2 GLN 63 -13.585 1.801 0.868 510 HE22 GLN 63 2HE2 GLN 63 -12.154 2.479 0.176 511 H ASN 64 H ASN 64 -14.392 -4.139 -0.943 512 HA ASN 64 HA ASN 64 -15.149 -4.025 1.722 513 HB2 ASN 64 2HB ASN 64 -14.078 -6.497 0.273 514 HB3 ASN 64 3HB ASN 64 -15.103 -6.508 1.708 515 HD21 ASN 64 1HD2 ASN 64 -15.601 -7.787 -0.784 516 HD22 ASN 64 2HD2 ASN 64 -17.057 -7.121 -1.434 517 H ASP 65 H ASP 65 -12.120 -5.127 0.311 518 HA ASP 65 HA ASP 65 -10.839 -5.923 2.768 519 HB2 ASP 65 2HB ASP 65 -9.493 -5.460 0.063 520 HB3 ASP 65 3HB ASP 65 -8.930 -6.479 1.390 521 H VAL 66 H VAL 66 -10.649 -3.200 0.513 522 HA VAL 66 HA VAL 66 -8.512 -1.710 1.566 523 HB VAL 66 HB VAL 66 -11.052 -0.787 0.140 524 HG11 VAL 66 1HG1 VAL 66 -8.575 0.891 0.692 525 HG12 VAL 66 2HG1 VAL 66 -10.179 1.149 1.380 526 HG13 VAL 66 3HG1 VAL 66 -9.919 1.362 -0.351 527 HG21 VAL 66 3HG2 VAL 66 -9.588 -2.261 -1.194 528 HG22 VAL 66 1HG2 VAL 66 -8.220 -1.181 -0.911 529 HG23 VAL 66 2HG2 VAL 66 -9.603 -0.628 -1.861 530 H ASN 67 H ASN 67 -11.965 -1.631 2.404 531 HA ASN 67 HA ASN 67 -11.878 0.395 4.362 532 HB2 ASN 67 2HB ASN 67 -13.850 -1.900 3.992 533 HB3 ASN 67 3HB ASN 67 -14.076 -0.613 5.178 534 HD21 ASN 67 1HD2 ASN 67 -15.726 -1.323 2.868 535 HD22 ASN 67 2HD2 ASN 67 -15.833 0.104 1.901 536 H GLU 68 H GLU 68 -11.492 -3.138 4.613 537 HA GLU 68 HA GLU 68 -11.304 -3.325 7.429 538 HB2 GLU 68 2HB GLU 68 -10.064 -5.110 5.293 539 HB3 GLU 68 3HB GLU 68 -10.212 -5.528 7.004 540 HG2 GLU 68 2HG GLU 68 -12.664 -5.436 6.825 541 HG3 GLU 68 3HG GLU 68 -12.523 -4.964 5.129 542 H PHE 69 H PHE 69 -8.916 -2.504 4.960 543 HA PHE 69 HA PHE 69 -6.586 -2.585 6.549 544 HB2 PHE 69 2HB PHE 69 -6.506 -2.389 4.076 545 HB3 PHE 69 3HB PHE 69 -7.216 -0.784 4.170 546 HD1 PHE 69 HD1 PHE 69 -4.166 -2.772 4.916 547 HD2 PHE 69 HD2 PHE 69 -5.863 1.153 4.703 548 HE1 PHE 69 HE1 PHE 69 -1.927 -1.780 5.116 549 HE2 PHE 69 HE2 PHE 69 -3.628 2.119 4.898 550 HZ PHE 69 HZ PHE 69 -1.669 0.668 5.112 551 H GLN 70 H GLN 70 -8.603 0.182 5.606 552 HA GLN 70 HA GLN 70 -7.432 2.164 7.154 553 HB2 GLN 70 2HB GLN 70 -10.331 1.919 6.247 554 HB3 GLN 70 3HB GLN 70 -9.549 3.421 6.752 555 HG2 GLN 70 2HG GLN 70 -8.032 3.337 4.865 556 HG3 GLN 70 3HG GLN 70 -8.600 1.732 4.411 557 HE21 GLN 70 1HE2 GLN 70 -10.684 1.523 3.487 558 HE22 GLN 70 2HE2 GLN 70 -11.482 2.865 2.749 559 H ASN 71 H ASN 71 -10.177 0.076 8.011 560 HA ASN 71 HA ASN 71 -10.828 1.124 10.523 561 HB2 ASN 71 2HB ASN 71 -11.360 -1.514 9.154 562 HB3 ASN 71 3HB ASN 71 -11.672 -1.417 10.883 563 HD21 ASN 71 1HD2 ASN 71 -12.706 -0.291 7.733 564 HD22 ASN 71 2HD2 ASN 71 -14.194 0.376 8.256 565 H GLU 72 H GLU 72 -8.867 -1.851 9.849 566 HA GLU 72 HA GLU 72 -8.229 -2.285 12.560 567 HB2 GLU 72 2HB GLU 72 -6.797 -3.340 10.095 568 HB3 GLU 72 3HB GLU 72 -6.592 -3.956 11.735 569 HG2 GLU 72 2HG GLU 72 -9.070 -4.100 9.999 570 HG3 GLU 72 3HG GLU 72 -8.055 -5.440 10.520 571 H ALA 73 H ALA 73 -6.490 -0.488 10.029 572 HA ALA 73 HA ALA 73 -4.091 -0.071 11.412 573 HB1 ALA 73 3HB ALA 73 -5.426 1.728 9.366 574 HB2 ALA 73 1HB ALA 73 -4.360 0.366 9.011 575 HB3 ALA 73 2HB ALA 73 -3.726 1.786 9.847 576 H LYS 74 H LYS 74 -6.933 2.155 11.155 577 HA LYS 74 HA LYS 74 -5.883 4.115 12.880 578 HB2 LYS 74 2HB LYS 74 -8.085 5.158 12.888 579 HB3 LYS 74 3HB LYS 74 -7.687 4.602 11.268 580 HG2 LYS 74 2HG LYS 74 -9.147 2.628 11.598 581 HG3 LYS 74 3HG LYS 74 -9.562 3.214 13.210 582 HD2 LYS 74 2HD LYS 74 -10.154 4.677 10.600 583 HD3 LYS 74 3HD LYS 74 -11.318 3.711 11.513 584 HE2 LYS 74 2HE LYS 74 -11.009 5.277 13.455 585 HE3 LYS 74 3HE LYS 74 -9.968 6.276 12.436 586 HZ1 LYS 74 3HZ LYS 74 -12.263 7.080 12.531 587 HZ2 LYS 74 1HZ LYS 74 -12.810 5.632 11.846 588 HZ3 LYS 74 2HZ LYS 74 -11.809 6.666 10.959 589 H LYS 75 H LYS 75 -7.811 1.214 13.702 590 HA LYS 75 HA LYS 75 -8.394 2.139 16.381 591 HB2 LYS 75 2HB LYS 75 -9.398 -0.025 16.797 592 HB3 LYS 75 3HB LYS 75 -9.884 0.530 15.201 593 HG2 LYS 75 2HG LYS 75 -8.205 -1.000 14.178 594 HG3 LYS 75 3HG LYS 75 -7.764 -1.573 15.786 595 HD2 LYS 75 2HD LYS 75 -9.305 -3.145 14.655 596 HD3 LYS 75 3HD LYS 75 -10.036 -2.476 16.117 597 HE2 LYS 75 2HE LYS 75 -11.352 -0.904 14.745 598 HE3 LYS 75 3HE LYS 75 -10.573 -1.510 13.284 599 HZ1 LYS 75 3HZ LYS 75 -12.783 -2.447 13.647 600 HZ2 LYS 75 1HZ LYS 75 -12.259 -3.137 15.101 601 HZ3 LYS 75 2HZ LYS 75 -11.584 -3.643 13.636 602 H GLU 76 H GLU 76 -5.765 0.348 14.911 603 HA GLU 76 HA GLU 76 -4.677 -0.511 17.501 604 HB2 GLU 76 2HB GLU 76 -3.784 -1.078 14.648 605 HB3 GLU 76 3HB GLU 76 -3.016 -1.736 16.091 606 HG2 GLU 76 2HG GLU 76 -5.863 -2.265 15.179 607 HG3 GLU 76 3HG GLU 76 -4.504 -3.381 15.056 608 H GLY 77 H GLY 77 -4.423 2.240 15.592 609 HA2 GLY 77 2HA GLY 77 -2.985 4.032 15.652 610 HA3 GLY 77 3HA GLY 77 -2.051 3.212 16.890 611 H VAL 78 H VAL 78 -2.786 2.337 13.539 612 HA VAL 78 HA VAL 78 0.078 2.471 12.782 613 HB VAL 78 HB VAL 78 -2.225 0.945 11.461 614 HG11 VAL 78 1HG1 VAL 78 -0.621 1.725 9.754 615 HG12 VAL 78 2HG1 VAL 78 -0.557 -0.028 9.930 616 HG13 VAL 78 3HG1 VAL 78 0.707 0.975 10.644 617 HG21 VAL 78 3HG2 VAL 78 -1.488 -0.114 13.560 618 HG22 VAL 78 1HG2 VAL 78 0.181 -0.136 12.980 619 HG23 VAL 78 2HG2 VAL 78 -1.051 -1.108 12.169 620 H SER 79 H SER 79 0.587 4.222 11.569 621 HA SER 79 HA SER 79 -1.444 6.123 10.796 622 HB2 SER 79 2HB SER 79 1.581 6.192 10.391 623 HB3 SER 79 3HB SER 79 0.482 7.560 10.200 624 HG SER 79 HG SER 79 -0.034 6.717 12.570 625 H TYR 80 H TYR 80 -2.589 5.576 8.992 626 HA TYR 80 HA TYR 80 -1.204 4.393 6.655 627 HB2 TYR 80 2HB TYR 80 -3.357 3.441 6.024 628 HB3 TYR 80 3HB TYR 80 -2.998 3.007 7.686 629 HD1 TYR 80 HD1 TYR 80 -4.174 4.401 9.562 630 HD2 TYR 80 HD2 TYR 80 -5.439 4.462 5.482 631 HE1 TYR 80 HE1 TYR 80 -6.358 5.272 10.253 632 HE2 TYR 80 HE2 TYR 80 -7.631 5.337 6.178 633 HH TYR 80 HH TYR 80 -8.231 6.470 9.379 634 H ASP 81 H ASP 81 -1.267 5.394 4.698 635 HA ASP 81 HA ASP 81 -2.833 7.893 4.364 636 HB2 ASP 81 2HB ASP 81 -0.347 8.212 4.267 637 HB3 ASP 81 3HB ASP 81 -0.247 7.033 2.969 638 H VAL 82 H VAL 82 -4.604 7.482 3.146 639 HA VAL 82 HA VAL 82 -4.685 5.218 1.304 640 HB VAL 82 HB VAL 82 -6.877 7.177 2.132 641 HG11 VAL 82 1HG1 VAL 82 -7.324 6.316 -0.134 642 HG12 VAL 82 2HG1 VAL 82 -8.461 5.620 1.022 643 HG13 VAL 82 3HG1 VAL 82 -7.100 4.660 0.435 644 HG21 VAL 82 3HG2 VAL 82 -7.771 5.263 3.424 645 HG22 VAL 82 1HG2 VAL 82 -6.143 5.687 3.958 646 HG23 VAL 82 2HG2 VAL 82 -6.394 4.277 2.926 647 H LEU 83 H LEU 83 -3.829 5.531 -0.565 648 HA LEU 83 HA LEU 83 -4.160 8.031 -2.118 649 HB2 LEU 83 2HB LEU 83 -1.818 7.484 -1.599 650 HB3 LEU 83 3HB LEU 83 -2.035 5.850 -2.203 651 HG LEU 83 HG LEU 83 -2.433 6.854 -4.520 652 HD11 LEU 83 1HD1 LEU 83 -1.645 9.129 -4.973 653 HD12 LEU 83 2HD1 LEU 83 -1.430 9.412 -3.243 654 HD13 LEU 83 3HD1 LEU 83 -3.043 9.123 -3.900 655 HD21 LEU 83 3HD2 LEU 83 0.279 7.329 -3.254 656 HD22 LEU 83 1HD2 LEU 83 -0.049 7.194 -4.986 657 HD23 LEU 83 2HD2 LEU 83 -0.318 5.810 -3.929 658 H LYS 84 H LYS 84 -5.301 7.852 -4.009 659 HA LYS 84 HA LYS 84 -5.370 5.299 -5.456 660 HB2 LYS 84 2HB LYS 84 -7.911 5.920 -5.990 661 HB3 LYS 84 3HB LYS 84 -7.487 4.990 -4.559 662 HG2 LYS 84 2HG LYS 84 -7.625 6.972 -3.176 663 HG3 LYS 84 3HG LYS 84 -7.980 7.970 -4.590 664 HD2 LYS 84 2HD LYS 84 -10.082 6.682 -4.936 665 HD3 LYS 84 3HD LYS 84 -9.722 5.729 -3.489 666 HE2 LYS 84 2HE LYS 84 -11.339 7.478 -2.959 667 HE3 LYS 84 3HE LYS 84 -9.819 7.808 -2.129 668 HZ1 LYS 84 3HZ LYS 84 -9.283 9.428 -3.849 669 HZ2 LYS 84 1HZ LYS 84 -10.755 9.807 -3.112 670 HZ3 LYS 84 2HZ LYS 84 -10.736 9.101 -4.644 671 H SER 85 H SER 85 -4.751 5.608 -7.421 672 HA SER 85 HA SER 85 -5.408 7.917 -9.053 673 HB2 SER 85 2HB SER 85 -2.456 7.415 -8.390 674 HB3 SER 85 3HB SER 85 -3.077 8.633 -9.510 675 HG SER 85 HG SER 85 -4.299 9.176 -7.334 676 H THR 86 H THR 86 -5.182 7.451 -11.242 677 HA THR 86 HA THR 86 -4.105 4.792 -12.008 678 HB THR 86 HB THR 86 -5.483 5.223 -14.165 679 HG1 THR 86 HG1 THR 86 -5.963 7.392 -13.939 680 HG21 THR 86 3HG2 THR 86 -6.232 3.580 -12.475 681 HG22 THR 86 1HG2 THR 86 -7.602 4.422 -13.207 682 HG23 THR 86 2HG2 THR 86 -7.058 4.866 -11.588 683 H ASP 87 H ASP 87 -1.925 5.499 -12.112 684 HA ASP 87 HA ASP 87 -1.012 6.787 -14.441 685 HB2 ASP 87 2HB ASP 87 -1.871 8.834 -13.211 686 HB3 ASP 87 3HB ASP 87 -0.693 8.510 -11.940 687 HA PRO 88 HA PRO 88 1.914 3.955 -12.525 688 HB2 PRO 88 2HB PRO 88 3.541 3.465 -14.677 689 HB3 PRO 88 3HB PRO 88 1.892 2.813 -14.548 690 HG2 PRO 88 2HG PRO 88 2.859 5.200 -16.091 691 HG3 PRO 88 3HG PRO 88 1.708 3.937 -16.579 692 HD2 PRO 88 2HD PRO 88 0.915 6.407 -15.673 693 HD3 PRO 88 3HD PRO 88 -0.071 4.941 -15.476 694 H GLU 89 H GLU 89 2.938 7.055 -13.871 695 HA GLU 89 HA GLU 89 5.664 6.720 -12.819 696 HB2 GLU 89 2HB GLU 89 6.237 8.871 -13.793 697 HB3 GLU 89 3HB GLU 89 5.469 7.844 -14.997 698 HG2 GLU 89 2HG GLU 89 3.371 9.113 -14.743 699 HG3 GLU 89 3HG GLU 89 4.136 10.141 -13.531 700 H GLU 90 H GLU 90 2.674 8.487 -12.030 701 HA GLU 90 HA GLU 90 3.881 9.977 -9.889 702 HB2 GLU 90 2HB GLU 90 1.736 10.751 -10.946 703 HB3 GLU 90 3HB GLU 90 0.901 9.404 -10.171 704 HG2 GLU 90 2HG GLU 90 1.645 10.260 -7.941 705 HG3 GLU 90 3HG GLU 90 2.397 11.638 -8.741 706 H LEU 91 H LEU 91 1.981 6.963 -10.056 707 HA LEU 91 HA LEU 91 1.764 6.537 -7.267 708 HB2 LEU 91 2HB LEU 91 1.747 4.573 -9.573 709 HB3 LEU 91 3HB LEU 91 1.504 4.060 -7.910 710 HG LEU 91 HG LEU 91 -0.304 5.995 -9.425 711 HD11 LEU 91 1HD1 LEU 91 -0.456 3.713 -10.312 712 HD12 LEU 91 2HD1 LEU 91 -1.934 4.181 -9.480 713 HD13 LEU 91 3HD1 LEU 91 -0.790 3.091 -8.692 714 HD21 LEU 91 3HD2 LEU 91 -0.292 6.447 -7.008 715 HD22 LEU 91 1HD2 LEU 91 -0.662 4.753 -6.672 716 HD23 LEU 91 2HD2 LEU 91 -1.834 5.769 -7.519 717 H THR 92 H THR 92 4.332 5.721 -9.587 718 HA THR 92 HA THR 92 6.053 4.297 -7.865 719 HB THR 92 HB THR 92 6.680 5.952 -10.340 720 HG1 THR 92 HG1 THR 92 5.363 3.918 -10.410 721 HG21 THR 92 3HG2 THR 92 8.852 4.740 -10.431 722 HG22 THR 92 1HG2 THR 92 8.510 4.019 -8.858 723 HG23 THR 92 2HG2 THR 92 8.752 5.764 -8.993 724 H GLN 93 H GLN 93 5.899 7.841 -8.626 725 HA GLN 93 HA GLN 93 8.150 8.483 -7.017 726 HB2 GLN 93 2HB GLN 93 7.687 10.796 -7.292 727 HB3 GLN 93 3HB GLN 93 7.244 10.036 -8.812 728 HG2 GLN 93 2HG GLN 93 4.925 10.337 -8.408 729 HG3 GLN 93 3HG GLN 93 5.170 10.688 -6.705 730 HE21 GLN 93 1HE2 GLN 93 5.772 12.763 -6.084 731 HE22 GLN 93 2HE2 GLN 93 5.747 14.114 -7.159 732 H ARG 94 H ARG 94 4.737 8.041 -6.279 733 HA ARG 94 HA ARG 94 4.710 9.332 -3.736 734 HB2 ARG 94 2HB ARG 94 2.852 7.211 -4.888 735 HB3 ARG 94 3HB ARG 94 2.560 8.075 -3.380 736 HG2 ARG 94 2HG ARG 94 2.736 9.336 -6.134 737 HG3 ARG 94 3HG ARG 94 1.246 9.005 -5.246 738 HD2 ARG 94 2HD ARG 94 1.871 10.624 -3.530 739 HD3 ARG 94 3HD ARG 94 3.453 10.871 -4.288 740 HE ARG 94 HE ARG 94 1.004 11.453 -5.817 741 HH11 ARG 94 1HH1 ARG 94 3.899 12.683 -4.217 742 HH12 ARG 94 2HH1 ARG 94 3.772 14.250 -4.955 743 HH21 ARG 94 1HH2 ARG 94 0.863 13.493 -6.770 744 HH22 ARG 94 2HH2 ARG 94 2.047 14.707 -6.406 745 H VAL 95 H VAL 95 5.073 5.938 -4.778 746 HA VAL 95 HA VAL 95 5.314 4.670 -2.297 747 HB VAL 95 HB VAL 95 6.618 3.991 -4.982 748 HG11 VAL 95 1HG1 VAL 95 7.921 2.874 -3.223 749 HG12 VAL 95 2HG1 VAL 95 6.978 1.686 -4.123 750 HG13 VAL 95 3HG1 VAL 95 6.447 2.204 -2.524 751 HG21 VAL 95 3HG2 VAL 95 4.809 2.311 -5.188 752 HG22 VAL 95 1HG2 VAL 95 4.156 3.939 -5.021 753 HG23 VAL 95 2HG2 VAL 95 4.134 2.842 -3.646 754 H ARG 96 H ARG 96 7.874 5.980 -4.415 755 HA ARG 96 HA ARG 96 10.003 5.210 -2.702 756 HB2 ARG 96 2HB ARG 96 11.463 6.212 -4.300 757 HB3 ARG 96 3HB ARG 96 10.161 5.456 -5.187 758 HG2 ARG 96 2HG ARG 96 10.127 7.390 -6.376 759 HG3 ARG 96 3HG ARG 96 9.215 8.022 -5.014 760 HD2 ARG 96 2HD ARG 96 11.090 9.137 -4.112 761 HD3 ARG 96 3HD ARG 96 12.229 8.216 -5.087 762 HE ARG 96 HE ARG 96 11.976 9.717 -6.759 763 HH11 ARG 96 1HH1 ARG 96 9.218 10.231 -4.615 764 HH12 ARG 96 2HH1 ARG 96 8.687 11.642 -5.466 765 HH21 ARG 96 1HH2 ARG 96 11.274 11.559 -7.815 766 HH22 ARG 96 2HH2 ARG 96 9.851 12.384 -7.270 767 H GLU 97 H GLU 97 8.273 8.297 -3.139 768 HA GLU 97 HA GLU 97 10.108 9.822 -1.562 769 HB2 GLU 97 2HB GLU 97 8.579 11.689 -1.713 770 HB3 GLU 97 3HB GLU 97 8.601 10.882 -3.275 771 HG2 GLU 97 2HG GLU 97 6.453 9.718 -2.611 772 HG3 GLU 97 3HG GLU 97 6.422 10.735 -1.169 773 H PHE 98 H PHE 98 7.159 7.998 -0.918 774 HA PHE 98 HA PHE 98 6.660 8.853 1.741 775 HB2 PHE 98 2HB PHE 98 5.021 7.606 0.309 776 HB3 PHE 98 3HB PHE 98 6.026 6.170 0.425 777 HD1 PHE 98 HD1 PHE 98 3.753 8.431 2.283 778 HD2 PHE 98 HD2 PHE 98 5.989 4.772 2.439 779 HE1 PHE 98 HE1 PHE 98 2.538 7.761 4.313 780 HE2 PHE 98 HE2 PHE 98 4.767 4.124 4.467 781 HZ PHE 98 HZ PHE 98 3.048 5.611 5.397 782 H LEU 99 H LEU 99 8.594 6.229 0.337 783 HA LEU 99 HA LEU 99 9.356 5.027 2.799 784 HB2 LEU 99 2HB LEU 99 10.633 4.847 0.051 785 HB3 LEU 99 3HB LEU 99 11.025 3.796 1.408 786 HG LEU 99 HG LEU 99 8.325 3.956 0.012 787 HD11 LEU 99 1HD1 LEU 99 8.817 1.688 -0.801 788 HD12 LEU 99 2HD1 LEU 99 10.435 1.790 -0.100 789 HD13 LEU 99 3HD1 LEU 99 9.964 2.882 -1.406 790 HD21 LEU 99 3HD2 LEU 99 9.202 2.171 2.302 791 HD22 LEU 99 1HD2 LEU 99 7.688 2.016 1.405 792 HD23 LEU 99 2HD2 LEU 99 7.995 3.458 2.365 793 H LYS 100 H LYS 100 10.594 7.817 1.086 794 HA LYS 100 HA LYS 100 13.185 7.707 2.489 795 HB2 LYS 100 2HB LYS 100 13.999 9.429 1.100 796 HB3 LYS 100 3HB LYS 100 13.076 8.369 0.043 797 HG2 LYS 100 2HG LYS 100 11.243 9.981 -0.032 798 HG3 LYS 100 3HG LYS 100 12.068 11.015 1.137 799 HD2 LYS 100 2HD LYS 100 12.357 11.894 -1.143 800 HD3 LYS 100 3HD LYS 100 13.908 11.395 -0.470 801 HE2 LYS 100 2HE LYS 100 13.672 9.231 -1.761 802 HE3 LYS 100 3HE LYS 100 12.234 9.914 -2.526 803 HZ1 LYS 100 3HZ LYS 100 13.637 11.729 -3.364 804 HZ2 LYS 100 1HZ LYS 100 14.151 10.221 -3.924 805 HZ3 LYS 100 2HZ LYS 100 14.998 10.998 -2.684 806 H THR 101 H THR 101 10.067 9.391 2.746 807 HA THR 101 HA THR 101 11.209 11.435 4.550 808 HB THR 101 HB THR 101 8.919 12.488 4.431 809 HG1 THR 101 HG1 THR 101 8.192 10.988 2.213 810 HG21 THR 101 3HG2 THR 101 10.699 13.217 2.861 811 HG22 THR 101 1HG2 THR 101 9.097 13.313 2.121 812 HG23 THR 101 2HG2 THR 101 10.183 11.984 1.709 813 H ALA 102 H ALA 102 8.831 8.833 4.472 814 HA ALA 102 HA ALA 102 7.996 9.149 7.228 815 HB1 ALA 102 3HB ALA 102 7.320 6.984 5.202 816 HB2 ALA 102 1HB ALA 102 6.409 8.480 5.442 817 HB3 ALA 102 2HB ALA 102 6.485 7.278 6.732 818 H GLY 103 H GLY 103 10.851 8.195 6.391 819 HA2 GLY 103 2HA GLY 103 11.060 5.482 7.339 820 HA3 GLY 103 3HA GLY 103 12.366 6.542 6.854 821 H SER 104 H SER 104 13.749 6.382 8.491 822 HA SER 104 HA SER 104 12.863 6.504 11.286 823 HB2 SER 104 2HB SER 104 14.491 4.740 10.443 824 HB3 SER 104 3HB SER 104 15.672 6.023 10.174 825 HG SER 104 HG SER 104 16.129 5.293 12.161 826 H LEU 105 H LEU 105 12.921 8.837 9.305 827 HA LEU 105 HA LEU 105 14.870 10.727 10.128 828 HB2 LEU 105 2HB LEU 105 12.103 11.227 8.935 829 HB3 LEU 105 3HB LEU 105 13.367 12.440 9.104 830 HG LEU 105 HG LEU 105 13.336 10.042 7.232 831 HD11 LEU 105 1HD1 LEU 105 13.505 13.018 6.665 832 HD12 LEU 105 2HD1 LEU 105 12.101 11.977 6.421 833 HD13 LEU 105 3HD1 LEU 105 13.555 11.723 5.462 834 HD21 LEU 105 3HD2 LEU 105 15.571 10.158 8.136 835 HD22 LEU 105 1HD2 LEU 105 15.668 11.892 7.813 836 HD23 LEU 105 2HD2 LEU 105 15.583 10.739 6.477 837 H GLU 106 H GLU 106 14.947 11.973 11.873 838 HA GLU 106 HA GLU 106 13.553 11.296 14.208 839 HB2 GLU 106 2HB GLU 106 15.198 13.810 13.682 840 HB3 GLU 106 3HB GLU 106 14.848 13.099 15.261 841 HG2 GLU 106 2HG GLU 106 16.173 11.110 14.684 842 HG3 GLU 106 3HG GLU 106 16.461 11.748 13.066 843 H HIS 107 H HIS 107 11.391 11.635 14.339 844 HA HIS 107 HA HIS 107 10.080 13.788 12.965 845 HB2 HIS 107 2HB HIS 107 7.961 12.810 14.037 846 HB3 HIS 107 3HB HIS 107 8.852 11.780 12.933 847 HD1 HIS 107 HD1 HIS 107 9.514 9.511 13.776 848 HD2 HIS 107 HD2 HIS 107 8.318 12.024 16.866 849 HE1 HIS 107 HE1 HIS 107 9.365 8.066 15.813 850 HE2 HIS 107 HE2 HIS 107 8.463 9.563 17.613 851 H HIS 108 H HIS 108 11.135 15.565 13.983 852 HA HIS 108 HA HIS 108 10.509 16.516 16.589 853 HB2 HIS 108 2HB HIS 108 12.303 17.484 15.161 854 HB3 HIS 108 3HB HIS 108 11.099 18.056 14.013 855 HD1 HIS 108 HD1 HIS 108 11.142 20.525 14.212 856 HD2 HIS 108 HD2 HIS 108 11.276 18.707 17.945 857 HE1 HIS 108 HE1 HIS 108 11.091 22.399 15.877 858 HE2 HIS 108 HE2 HIS 108 11.256 21.278 18.125 859 H HIS 109 H HIS 109 8.854 16.486 13.530 860 HA HIS 109 HA HIS 109 6.305 17.278 14.826 861 HB2 HIS 109 2HB HIS 109 7.122 18.926 13.095 862 HB3 HIS 109 3HB HIS 109 7.136 17.641 11.903 863 HD1 HIS 109 HD1 HIS 109 5.020 20.234 13.328 864 HD2 HIS 109 HD2 HIS 109 4.422 16.688 11.236 865 HE1 HIS 109 HE1 HIS 109 2.687 20.368 12.415 866 HE2 HIS 109 HE2 HIS 109 2.337 18.202 11.195 867 H HIS 110 H HIS 110 5.031 15.461 15.016 868 HA HIS 110 HA HIS 110 5.597 13.043 13.568 869 HB2 HIS 110 2HB HIS 110 3.484 12.154 14.699 870 HB3 HIS 110 3HB HIS 110 4.782 12.665 15.765 871 HD1 HIS 110 HD1 HIS 110 4.319 14.655 17.333 872 HD2 HIS 110 HD2 HIS 110 1.096 13.680 14.897 873 HE1 HIS 110 HE1 HIS 110 2.352 15.897 18.272 874 HE2 HIS 110 HE2 HIS 110 0.428 15.322 16.762 875 H HIS 111 H HIS 111 5.432 13.644 11.411 876 HA HIS 111 HA HIS 111 2.805 14.324 10.284 877 HB2 HIS 111 2HB HIS 111 4.812 15.463 9.362 878 HB3 HIS 111 3HB HIS 111 5.510 13.913 8.914 879 HD1 HIS 111 HD1 HIS 111 4.772 12.909 6.693 880 HD2 HIS 111 HD2 HIS 111 2.531 16.233 7.770 881 HE1 HIS 111 HE1 HIS 111 3.338 13.432 4.702 882 HE2 HIS 111 HE2 HIS 111 1.830 15.284 5.484 883 H HIS 112 H HIS 112 1.572 12.873 9.106 884 HA HIS 112 HA HIS 112 2.637 10.144 8.662 885 HB2 HIS 112 2HB HIS 112 0.346 9.252 8.925 886 HB3 HIS 112 3HB HIS 112 0.892 10.057 10.387 887 HD1 HIS 112 HD1 HIS 112 -1.426 10.596 7.448 888 HD2 HIS 112 HD2 HIS 112 -0.801 12.035 11.292 889 HE1 HIS 112 HE1 HIS 112 -3.375 12.096 7.930 890 HE2 HIS 112 HE2 HIS 112 -3.053 12.821 10.314 Start of MODEL 16 1 H1 MET 1 1H MET 1 1.969 0.732 15.014 2 H2 MET 1 2H MET 1 1.548 2.356 14.843 3 H3 MET 1 3H MET 1 2.197 1.810 16.299 4 HA MET 1 HA MET 1 3.815 3.040 15.032 5 HB2 MET 1 2HB MET 1 4.351 0.059 15.303 6 HB3 MET 1 3HB MET 1 5.615 1.211 14.886 7 HG2 MET 1 2HG MET 1 5.255 2.382 17.011 8 HG3 MET 1 3HG MET 1 3.989 1.234 17.437 9 HE1 MET 1 3HE MET 1 4.444 -1.351 17.899 10 HE2 MET 1 1HE MET 1 6.040 -2.090 17.777 11 HE3 MET 1 2HE MET 1 5.232 -1.498 16.325 12 H GLY 2 H GLY 2 5.161 3.238 13.205 13 HA2 GLY 2 2HA GLY 2 5.777 3.148 11.004 14 HA3 GLY 2 3HA GLY 2 4.846 1.669 10.817 15 H LYS 3 H LYS 3 4.734 3.195 8.727 16 HA LYS 3 HA LYS 3 2.003 4.258 8.681 17 HB2 LYS 3 2HB LYS 3 3.509 6.225 9.119 18 HB3 LYS 3 3HB LYS 3 4.371 5.872 7.625 19 HG2 LYS 3 2HG LYS 3 2.265 6.250 6.350 20 HG3 LYS 3 3HG LYS 3 1.442 6.663 7.859 21 HD2 LYS 3 2HD LYS 3 2.947 8.596 8.164 22 HD3 LYS 3 3HD LYS 3 3.835 8.155 6.704 23 HE2 LYS 3 2HE LYS 3 1.793 8.548 5.359 24 HE3 LYS 3 3HE LYS 3 0.926 9.022 6.821 25 HZ1 LYS 3 3HZ LYS 3 3.298 10.403 5.672 26 HZ2 LYS 3 1HZ LYS 3 2.507 10.852 7.099 27 HZ3 LYS 3 2HZ LYS 3 1.705 10.955 5.618 28 H VAL 4 H VAL 4 1.011 3.317 6.991 29 HA VAL 4 HA VAL 4 2.593 2.000 4.886 30 HB VAL 4 HB VAL 4 -0.397 1.740 5.477 31 HG11 VAL 4 1HG1 VAL 4 1.415 -0.017 3.780 32 HG12 VAL 4 2HG1 VAL 4 0.194 1.102 3.169 33 HG13 VAL 4 3HG1 VAL 4 -0.295 -0.307 4.112 34 HG21 VAL 4 3HG2 VAL 4 1.841 -0.118 6.356 35 HG22 VAL 4 1HG2 VAL 4 0.113 -0.378 6.606 36 HG23 VAL 4 2HG2 VAL 4 0.929 0.965 7.411 37 H LEU 5 H LEU 5 2.333 2.509 2.677 38 HA LEU 5 HA LEU 5 0.444 4.637 1.911 39 HB2 LEU 5 2HB LEU 5 2.801 4.970 1.232 40 HB3 LEU 5 3HB LEU 5 2.800 3.423 0.402 41 HG LEU 5 HG LEU 5 1.104 4.292 -1.213 42 HD11 LEU 5 1HD1 LEU 5 1.405 6.919 0.257 43 HD12 LEU 5 2HD1 LEU 5 -0.038 5.904 0.185 44 HD13 LEU 5 3HD1 LEU 5 0.561 6.683 -1.277 45 HD21 LEU 5 3HD2 LEU 5 3.484 4.459 -1.760 46 HD22 LEU 5 1HD2 LEU 5 3.556 6.054 -1.006 47 HD23 LEU 5 2HD2 LEU 5 2.569 5.799 -2.449 48 H LEU 6 H LEU 6 -1.484 3.775 1.383 49 HA LEU 6 HA LEU 6 -1.733 1.026 0.438 50 HB2 LEU 6 2HB LEU 6 -3.172 2.007 2.291 51 HB3 LEU 6 3HB LEU 6 -3.894 3.074 1.098 52 HG LEU 6 HG LEU 6 -4.666 0.961 -0.149 53 HD11 LEU 6 1HD1 LEU 6 -3.137 -0.651 0.847 54 HD12 LEU 6 2HD1 LEU 6 -4.810 -1.124 1.130 55 HD13 LEU 6 3HD1 LEU 6 -3.867 -0.401 2.437 56 HD21 LEU 6 3HD2 LEU 6 -5.774 1.461 2.628 57 HD22 LEU 6 1HD2 LEU 6 -6.608 0.612 1.321 58 HD23 LEU 6 2HD2 LEU 6 -6.212 2.321 1.151 59 H VAL 7 H VAL 7 -1.116 1.028 -1.710 60 HA VAL 7 HA VAL 7 -1.906 3.173 -3.527 61 HB VAL 7 HB VAL 7 -0.209 0.683 -4.065 62 HG11 VAL 7 1HG1 VAL 7 0.521 1.844 -6.129 63 HG12 VAL 7 2HG1 VAL 7 -0.613 3.152 -5.793 64 HG13 VAL 7 3HG1 VAL 7 -1.217 1.531 -6.141 65 HG21 VAL 7 3HG2 VAL 7 1.734 2.208 -3.960 66 HG22 VAL 7 1HG2 VAL 7 0.859 2.162 -2.424 67 HG23 VAL 7 2HG2 VAL 7 0.663 3.540 -3.511 68 H ILE 8 H ILE 8 -3.931 3.031 -4.125 69 HA ILE 8 HA ILE 8 -5.158 0.534 -5.130 70 HB ILE 8 HB ILE 8 -6.540 3.137 -4.305 71 HG12 ILE 8 2HG1 ILE 8 -6.299 0.584 -2.660 72 HG13 ILE 8 3HG1 ILE 8 -5.386 2.061 -2.365 73 HG21 ILE 8 1HG2 ILE 8 -7.861 1.778 -5.888 74 HG22 ILE 8 2HG2 ILE 8 -8.620 1.817 -4.296 75 HG23 ILE 8 3HG2 ILE 8 -7.728 0.384 -4.811 76 HD11 ILE 8 3HD1 ILE 8 -7.467 3.253 -1.919 77 HD12 ILE 8 1HD1 ILE 8 -7.233 1.877 -0.844 78 HD13 ILE 8 2HD1 ILE 8 -8.378 1.761 -2.180 79 H SER 9 H SER 9 -5.935 0.527 -7.241 80 HA SER 9 HA SER 9 -6.258 2.973 -8.776 81 HB2 SER 9 2HB SER 9 -3.843 2.401 -9.132 82 HB3 SER 9 3HB SER 9 -4.316 0.805 -9.705 83 HG SER 9 HG SER 9 -4.349 3.226 -10.982 84 H THR 10 H THR 10 -7.757 2.719 -10.383 85 HA THR 10 HA THR 10 -9.485 0.485 -10.521 86 HB THR 10 HB THR 10 -9.097 2.625 -12.669 87 HG1 THR 10 HG1 THR 10 -10.747 2.775 -10.348 88 HG21 THR 10 3HG2 THR 10 -10.664 0.799 -13.304 89 HG22 THR 10 1HG2 THR 10 -11.506 2.340 -13.091 90 HG23 THR 10 2HG2 THR 10 -11.599 1.103 -11.839 91 H ASP 11 H ASP 11 -6.476 1.270 -12.066 92 HA ASP 11 HA ASP 11 -6.655 -0.958 -13.998 93 HB2 ASP 11 2HB ASP 11 -4.606 1.293 -13.820 94 HB3 ASP 11 3HB ASP 11 -4.657 0.042 -15.056 95 H THR 12 H THR 12 -6.278 -2.671 -12.596 96 HA THR 12 HA THR 12 -4.169 -2.791 -10.688 97 HB THR 12 HB THR 12 -5.659 -5.128 -11.974 98 HG1 THR 12 HG1 THR 12 -7.178 -3.727 -11.106 99 HG21 THR 12 3HG2 THR 12 -5.245 -6.269 -9.816 100 HG22 THR 12 1HG2 THR 12 -4.328 -4.874 -9.247 101 HG23 THR 12 2HG2 THR 12 -3.721 -5.838 -10.597 102 H ASN 13 H ASN 13 -4.274 -3.185 -14.104 103 HA ASN 13 HA ASN 13 -1.818 -4.496 -14.620 104 HB2 ASN 13 2HB ASN 13 -3.324 -2.391 -16.238 105 HB3 ASN 13 3HB ASN 13 -1.918 -3.269 -16.840 106 HD21 ASN 13 1HD2 ASN 13 -3.197 -4.075 -18.559 107 HD22 ASN 13 2HD2 ASN 13 -4.350 -5.339 -18.320 108 H ILE 14 H ILE 14 -2.624 -1.077 -13.939 109 HA ILE 14 HA ILE 14 0.024 -0.040 -14.350 110 HB ILE 14 HB ILE 14 -2.392 1.095 -12.876 111 HG12 ILE 14 2HG1 ILE 14 -2.688 0.899 -15.331 112 HG13 ILE 14 3HG1 ILE 14 -2.663 2.579 -14.825 113 HG21 ILE 14 1HG2 ILE 14 -0.401 2.091 -11.884 114 HG22 ILE 14 2HG2 ILE 14 -1.266 3.285 -12.852 115 HG23 ILE 14 3HG2 ILE 14 0.200 2.534 -13.482 116 HD11 ILE 14 3HD1 ILE 14 -0.336 2.746 -15.631 117 HD12 ILE 14 1HD1 ILE 14 -1.501 2.322 -16.884 118 HD13 ILE 14 2HD1 ILE 14 -0.448 1.079 -16.207 119 H ILE 15 H ILE 15 -1.831 -1.204 -11.564 120 HA ILE 15 HA ILE 15 -0.011 -0.704 -9.469 121 HB ILE 15 HB ILE 15 -2.126 -2.879 -9.818 122 HG12 ILE 15 2HG1 ILE 15 -2.130 -0.305 -8.182 123 HG13 ILE 15 3HG1 ILE 15 -2.972 -0.555 -9.705 124 HG21 ILE 15 1HG2 ILE 15 -0.618 -2.266 -7.258 125 HG22 ILE 15 2HG2 ILE 15 -0.481 -3.744 -8.209 126 HG23 ILE 15 3HG2 ILE 15 -2.000 -3.353 -7.405 127 HD11 ILE 15 3HD1 ILE 15 -4.369 -2.274 -8.612 128 HD12 ILE 15 1HD1 ILE 15 -4.527 -0.673 -7.889 129 HD13 ILE 15 2HD1 ILE 15 -3.569 -1.912 -7.079 130 H SER 16 H SER 16 -0.289 -3.402 -11.753 131 HA SER 16 HA SER 16 1.704 -5.116 -10.777 132 HB2 SER 16 2HB SER 16 0.021 -5.747 -12.489 133 HB3 SER 16 3HB SER 16 0.786 -4.669 -13.653 134 HG SER 16 HG SER 16 2.251 -6.130 -14.021 135 H SER 17 H SER 17 1.891 -2.507 -13.201 136 HA SER 17 HA SER 17 4.596 -2.777 -13.927 137 HB2 SER 17 2HB SER 17 2.814 -0.310 -14.025 138 HB3 SER 17 3HB SER 17 4.290 -0.557 -14.964 139 HG SER 17 HG SER 17 2.827 -2.665 -15.437 140 H VAL 18 H VAL 18 3.050 -0.660 -11.541 141 HA VAL 18 HA VAL 18 5.422 0.797 -10.816 142 HB VAL 18 HB VAL 18 2.711 0.620 -9.423 143 HG11 VAL 18 1HG1 VAL 18 4.417 1.398 -7.837 144 HG12 VAL 18 2HG1 VAL 18 3.340 2.722 -8.279 145 HG13 VAL 18 3HG1 VAL 18 4.954 2.628 -8.985 146 HG21 VAL 18 3HG2 VAL 18 3.802 2.698 -11.357 147 HG22 VAL 18 1HG2 VAL 18 2.234 2.767 -10.546 148 HG23 VAL 18 2HG2 VAL 18 2.564 1.492 -11.720 149 H GLN 19 H GLN 19 3.721 -2.001 -9.576 150 HA GLN 19 HA GLN 19 5.137 -2.439 -7.182 151 HB2 GLN 19 2HB GLN 19 3.060 -3.589 -7.684 152 HB3 GLN 19 3HB GLN 19 3.758 -4.343 -9.109 153 HG2 GLN 19 2HG GLN 19 5.225 -5.700 -7.692 154 HG3 GLN 19 3HG GLN 19 4.587 -4.903 -6.254 155 HE21 GLN 19 1HE2 GLN 19 1.832 -4.843 -7.055 156 HE22 GLN 19 2HE2 GLN 19 1.256 -6.468 -7.012 157 H GLU 20 H GLU 20 5.749 -3.491 -10.545 158 HA GLU 20 HA GLU 20 8.116 -4.953 -10.013 159 HB2 GLU 20 2HB GLU 20 7.014 -3.670 -12.528 160 HB3 GLU 20 3HB GLU 20 8.565 -4.504 -12.533 161 HG2 GLU 20 2HG GLU 20 5.902 -5.745 -11.776 162 HG3 GLU 20 3HG GLU 20 6.739 -5.952 -13.315 163 H ARG 21 H ARG 21 7.579 -1.521 -10.756 164 HA ARG 21 HA ARG 21 10.291 -0.726 -11.009 165 HB2 ARG 21 2HB ARG 21 7.893 0.872 -10.007 166 HB3 ARG 21 3HB ARG 21 9.444 1.569 -10.477 167 HG2 ARG 21 2HG ARG 21 9.128 0.898 -12.774 168 HG3 ARG 21 3HG ARG 21 7.679 -0.018 -12.360 169 HD2 ARG 21 2HD ARG 21 6.574 2.117 -11.683 170 HD3 ARG 21 3HD ARG 21 8.013 2.996 -12.218 171 HE ARG 21 HE ARG 21 6.965 1.311 -14.274 172 HH11 ARG 21 1HH1 ARG 21 6.437 4.445 -12.738 173 HH12 ARG 21 2HH1 ARG 21 5.652 5.121 -14.133 174 HH21 ARG 21 1HH2 ARG 21 5.915 2.204 -16.079 175 HH22 ARG 21 2HH2 ARG 21 5.356 3.850 -16.028 176 H ALA 22 H ALA 22 8.091 -0.797 -8.230 177 HA ALA 22 HA ALA 22 9.851 0.394 -6.351 178 HB1 ALA 22 3HB ALA 22 8.129 -0.165 -4.721 179 HB2 ALA 22 1HB ALA 22 7.376 -1.296 -5.857 180 HB3 ALA 22 2HB ALA 22 7.378 0.435 -6.197 181 H LYS 23 H LYS 23 9.065 -2.995 -7.107 182 HA LYS 23 HA LYS 23 10.670 -4.104 -4.994 183 HB2 LYS 23 2HB LYS 23 9.359 -5.415 -7.408 184 HB3 LYS 23 3HB LYS 23 10.212 -6.309 -6.150 185 HG2 LYS 23 2HG LYS 23 8.603 -5.536 -4.460 186 HG3 LYS 23 3HG LYS 23 7.776 -4.557 -5.675 187 HD2 LYS 23 2HD LYS 23 6.516 -6.605 -5.300 188 HD3 LYS 23 3HD LYS 23 7.198 -6.622 -6.927 189 HE2 LYS 23 2HE LYS 23 7.386 -8.822 -5.829 190 HE3 LYS 23 3HE LYS 23 8.979 -8.143 -6.173 191 HZ1 LYS 23 3HZ LYS 23 9.172 -7.487 -3.870 192 HZ2 LYS 23 1HZ LYS 23 8.824 -9.133 -3.955 193 HZ3 LYS 23 2HZ LYS 23 7.612 -8.037 -3.534 194 H HIS 24 H HIS 24 11.343 -3.328 -8.416 195 HA HIS 24 HA HIS 24 13.875 -4.781 -8.378 196 HB2 HIS 24 2HB HIS 24 12.605 -2.999 -10.495 197 HB3 HIS 24 3HB HIS 24 14.189 -3.741 -10.688 198 HD1 HIS 24 HD1 HIS 24 13.312 -5.037 -12.757 199 HD2 HIS 24 HD2 HIS 24 11.324 -6.003 -9.235 200 HE1 HIS 24 HE1 HIS 24 11.959 -7.086 -13.276 201 HE2 HIS 24 HE2 HIS 24 10.594 -7.488 -11.215 202 H ASN 25 H ASN 25 12.833 -1.546 -7.609 203 HA ASN 25 HA ASN 25 15.592 -0.477 -7.764 204 HB2 ASN 25 2HB ASN 25 12.870 0.852 -7.579 205 HB3 ASN 25 3HB ASN 25 14.326 1.747 -7.159 206 HD21 ASN 25 1HD2 ASN 25 12.545 0.269 -9.774 207 HD22 ASN 25 2HD2 ASN 25 13.454 0.974 -11.055 208 H TYR 26 H TYR 26 13.183 -1.443 -5.434 209 HA TYR 26 HA TYR 26 15.059 -0.764 -3.220 210 HB2 TYR 26 2HB TYR 26 12.014 -1.159 -3.154 211 HB3 TYR 26 3HB TYR 26 13.022 -0.881 -1.736 212 HD1 TYR 26 HD1 TYR 26 14.454 1.300 -1.713 213 HD2 TYR 26 HD2 TYR 26 11.088 0.729 -4.294 214 HE1 TYR 26 HE1 TYR 26 14.302 3.722 -2.055 215 HE2 TYR 26 HE2 TYR 26 10.937 3.163 -4.630 216 HH TYR 26 HH TYR 26 13.413 5.249 -3.874 217 HA PRO 27 HA PRO 27 15.296 -5.245 -2.468 218 HB2 PRO 27 2HB PRO 27 15.459 -5.482 0.250 219 HB3 PRO 27 3HB PRO 27 16.763 -4.740 -0.702 220 HG2 PRO 27 2HG PRO 27 14.550 -3.382 0.823 221 HG3 PRO 27 3HG PRO 27 16.295 -3.033 0.840 222 HD2 PRO 27 2HD PRO 27 14.567 -1.580 -0.668 223 HD3 PRO 27 3HD PRO 27 16.231 -1.905 -1.207 224 H GLY 28 H GLY 28 12.483 -4.081 -2.662 225 HA2 GLY 28 2HA GLY 28 10.292 -4.560 -2.207 226 HA3 GLY 28 3HA GLY 28 10.832 -6.155 -1.677 227 H ARG 29 H ARG 29 9.862 -6.441 0.279 228 HA ARG 29 HA ARG 29 9.609 -6.455 2.506 229 HB2 ARG 29 2HB ARG 29 11.967 -4.534 2.529 230 HB3 ARG 29 3HB ARG 29 11.396 -5.446 3.924 231 HG2 ARG 29 2HG ARG 29 12.023 -7.550 2.860 232 HG3 ARG 29 3HG ARG 29 12.432 -6.710 1.366 233 HD2 ARG 29 2HD ARG 29 14.213 -5.454 2.757 234 HD3 ARG 29 3HD ARG 29 13.924 -6.672 4.008 235 HE ARG 29 HE ARG 29 14.531 -7.629 1.313 236 HH11 ARG 29 1HH1 ARG 29 15.782 -7.088 4.556 237 HH12 ARG 29 2HH1 ARG 29 17.151 -8.127 4.324 238 HH21 ARG 29 1HH2 ARG 29 16.327 -8.958 1.016 239 HH22 ARG 29 2HH2 ARG 29 17.459 -9.193 2.311 240 H TYR 30 H TYR 30 10.640 -3.076 2.268 241 HA TYR 30 HA TYR 30 8.523 -1.786 3.552 242 HB2 TYR 30 2HB TYR 30 10.277 -0.796 1.251 243 HB3 TYR 30 3HB TYR 30 9.259 0.241 2.250 244 HD1 TYR 30 HD1 TYR 30 9.751 0.398 4.730 245 HD2 TYR 30 HD2 TYR 30 12.486 -1.394 2.000 246 HE1 TYR 30 HE1 TYR 30 11.517 0.675 6.373 247 HE2 TYR 30 HE2 TYR 30 14.286 -1.136 3.649 248 HH TYR 30 HH TYR 30 13.727 -0.415 6.884 249 H ILE 31 H ILE 31 8.705 -3.140 0.354 250 HA ILE 31 HA ILE 31 6.035 -2.118 -0.355 251 HB ILE 31 HB ILE 31 8.113 -3.619 -2.027 252 HG12 ILE 31 2HG1 ILE 31 7.992 -1.429 -3.417 253 HG13 ILE 31 3HG1 ILE 31 7.186 -0.713 -2.034 254 HG21 ILE 31 1HG2 ILE 31 6.591 -3.304 -3.961 255 HG22 ILE 31 2HG2 ILE 31 5.371 -2.625 -2.884 256 HG23 ILE 31 3HG2 ILE 31 5.852 -4.313 -2.713 257 HD11 ILE 31 3HD1 ILE 31 9.551 -0.146 -2.123 258 HD12 ILE 31 1HD1 ILE 31 9.977 -1.857 -2.069 259 HD13 ILE 31 2HD1 ILE 31 9.189 -1.100 -0.684 260 H ARG 32 H ARG 32 4.390 -3.361 0.133 261 HA ARG 32 HA ARG 32 4.594 -6.295 0.449 262 HB2 ARG 32 2HB ARG 32 4.288 -4.849 2.583 263 HB3 ARG 32 3HB ARG 32 2.717 -4.388 1.942 264 HG2 ARG 32 2HG ARG 32 2.175 -6.113 3.406 265 HG3 ARG 32 3HG ARG 32 2.256 -6.974 1.866 266 HD2 ARG 32 2HD ARG 32 3.384 -8.267 3.583 267 HD3 ARG 32 3HD ARG 32 4.590 -7.666 2.441 268 HE ARG 32 HE ARG 32 5.173 -5.948 4.087 269 HH11 ARG 32 1HH1 ARG 32 3.401 -8.741 5.345 270 HH12 ARG 32 2HH1 ARG 32 3.952 -8.491 6.969 271 HH21 ARG 32 1HH2 ARG 32 5.833 -5.615 6.219 272 HH22 ARG 32 2HH2 ARG 32 5.336 -6.716 7.461 273 H THR 33 H THR 33 2.781 -7.450 -0.460 274 HA THR 33 HA THR 33 0.719 -5.828 -1.866 275 HB THR 33 HB THR 33 0.453 -7.826 -3.379 276 HG1 THR 33 HG1 THR 33 1.789 -9.542 -3.209 277 HG21 THR 33 3HG2 THR 33 1.875 -5.929 -4.081 278 HG22 THR 33 1HG2 THR 33 2.502 -7.463 -4.692 279 HG23 THR 33 2HG2 THR 33 3.269 -6.688 -3.305 280 H ALA 34 H ALA 34 -1.425 -6.307 -1.591 281 HA ALA 34 HA ALA 34 -2.211 -8.662 0.022 282 HB1 ALA 34 3HB ALA 34 -4.016 -7.295 0.997 283 HB2 ALA 34 1HB ALA 34 -3.443 -5.883 0.106 284 HB3 ALA 34 2HB ALA 34 -2.437 -6.603 1.362 285 H THR 35 H THR 35 -3.725 -9.946 -0.952 286 HA THR 35 HA THR 35 -5.049 -8.919 -3.386 287 HB THR 35 HB THR 35 -3.567 -10.940 -3.682 288 HG1 THR 35 HG1 THR 35 -5.654 -10.352 -4.889 289 HG21 THR 35 3HG2 THR 35 -5.756 -12.410 -2.171 290 HG22 THR 35 1HG2 THR 35 -4.107 -12.148 -1.581 291 HG23 THR 35 2HG2 THR 35 -4.391 -13.151 -3.002 292 H SER 36 H SER 36 -5.668 -9.655 -0.157 293 HA SER 36 HA SER 36 -8.465 -9.044 -0.447 294 HB2 SER 36 2HB SER 36 -9.341 -11.088 0.627 295 HB3 SER 36 3HB SER 36 -8.463 -11.530 -0.837 296 HG SER 36 HG SER 36 -6.663 -12.019 0.510 297 H SER 37 H SER 37 -9.510 -9.231 1.816 298 HA SER 37 HA SER 37 -8.213 -7.526 3.651 299 HB2 SER 37 2HB SER 37 -10.113 -8.111 5.192 300 HB3 SER 37 3HB SER 37 -10.646 -7.652 3.573 301 HG SER 37 HG SER 37 -11.194 -9.702 3.137 302 H GLN 38 H GLN 38 -8.206 -11.003 3.330 303 HA GLN 38 HA GLN 38 -7.460 -11.760 5.948 304 HB2 GLN 38 2HB GLN 38 -6.777 -13.170 3.340 305 HB3 GLN 38 3HB GLN 38 -6.773 -13.898 4.942 306 HG2 GLN 38 2HG GLN 38 -9.172 -12.929 3.372 307 HG3 GLN 38 3HG GLN 38 -8.761 -14.594 3.770 308 HE21 GLN 38 1HE2 GLN 38 -10.192 -11.654 4.895 309 HE22 GLN 38 2HE2 GLN 38 -10.787 -12.270 6.398 310 H ASP 39 H ASP 39 -5.559 -11.006 3.044 311 HA ASP 39 HA ASP 39 -2.954 -11.323 4.168 312 HB2 ASP 39 2HB ASP 39 -3.677 -9.450 1.858 313 HB3 ASP 39 3HB ASP 39 -2.119 -10.210 2.170 314 H ILE 40 H ILE 40 -5.120 -8.586 3.660 315 HA ILE 40 HA ILE 40 -3.544 -6.418 4.332 316 HB ILE 40 HB ILE 40 -6.523 -6.936 4.419 317 HG12 ILE 40 2HG1 ILE 40 -4.816 -5.075 2.711 318 HG13 ILE 40 3HG1 ILE 40 -5.441 -6.641 2.217 319 HG21 ILE 40 1HG2 ILE 40 -7.009 -4.580 4.910 320 HG22 ILE 40 2HG2 ILE 40 -5.298 -4.294 5.217 321 HG23 ILE 40 3HG2 ILE 40 -6.208 -5.379 6.266 322 HD11 ILE 40 3HD1 ILE 40 -7.038 -4.148 2.772 323 HD12 ILE 40 1HD1 ILE 40 -7.740 -5.734 2.437 324 HD13 ILE 40 2HD1 ILE 40 -6.754 -4.931 1.218 325 H ARG 41 H ARG 41 -5.792 -8.159 6.551 326 HA ARG 41 HA ARG 41 -5.235 -6.674 8.842 327 HB2 ARG 41 2HB ARG 41 -7.230 -8.164 8.353 328 HB3 ARG 41 3HB ARG 41 -6.198 -9.552 8.701 329 HG2 ARG 41 2HG ARG 41 -5.819 -8.647 10.966 330 HG3 ARG 41 3HG ARG 41 -6.914 -7.316 10.606 331 HD2 ARG 41 2HD ARG 41 -7.595 -10.259 10.788 332 HD3 ARG 41 3HD ARG 41 -8.132 -8.970 11.866 333 HE ARG 41 HE ARG 41 -9.012 -9.407 9.089 334 HH11 ARG 41 1HH1 ARG 41 -9.601 -7.890 12.211 335 HH12 ARG 41 2HH1 ARG 41 -11.179 -7.328 11.760 336 HH21 ARG 41 1HH2 ARG 41 -11.020 -8.620 8.483 337 HH22 ARG 41 2HH2 ARG 41 -11.995 -7.742 9.619 338 H ASP 42 H ASP 42 -3.756 -9.602 7.498 339 HA ASP 42 HA ASP 42 -2.054 -10.242 9.684 340 HB2 ASP 42 2HB ASP 42 -2.654 -11.884 7.932 341 HB3 ASP 42 3HB ASP 42 -1.778 -10.941 6.731 342 H ILE 43 H ILE 43 -1.740 -8.048 6.919 343 HA ILE 43 HA ILE 43 1.036 -7.429 7.154 344 HB ILE 43 HB ILE 43 -1.300 -5.792 6.053 345 HG12 ILE 43 2HG1 ILE 43 0.837 -7.345 4.525 346 HG13 ILE 43 3HG1 ILE 43 -0.765 -7.973 4.877 347 HG21 ILE 43 1HG2 ILE 43 0.527 -4.270 6.662 348 HG22 ILE 43 2HG2 ILE 43 0.351 -4.372 4.911 349 HG23 ILE 43 3HG2 ILE 43 1.662 -5.237 5.715 350 HD11 ILE 43 3HD1 ILE 43 -0.115 -5.589 3.150 351 HD12 ILE 43 1HD1 ILE 43 -1.746 -6.126 3.566 352 HD13 ILE 43 2HD1 ILE 43 -0.688 -7.172 2.624 353 H ILE 44 H ILE 44 -1.893 -6.148 8.665 354 HA ILE 44 HA ILE 44 -0.673 -3.975 10.067 355 HB ILE 44 HB ILE 44 -3.355 -5.363 10.539 356 HG12 ILE 44 2HG1 ILE 44 -2.739 -2.816 8.954 357 HG13 ILE 44 3HG1 ILE 44 -3.002 -4.394 8.224 358 HG21 ILE 44 1HG2 ILE 44 -4.048 -3.285 11.694 359 HG22 ILE 44 2HG2 ILE 44 -2.420 -2.631 11.497 360 HG23 ILE 44 3HG2 ILE 44 -2.679 -4.044 12.520 361 HD11 ILE 44 3HD1 ILE 44 -4.969 -3.028 8.032 362 HD12 ILE 44 1HD1 ILE 44 -5.033 -2.798 9.781 363 HD13 ILE 44 2HD1 ILE 44 -5.293 -4.401 9.087 364 H LYS 45 H LYS 45 -1.200 -7.411 10.832 365 HA LYS 45 HA LYS 45 -0.395 -7.402 13.556 366 HB2 LYS 45 2HB LYS 45 0.024 -9.596 11.479 367 HB3 LYS 45 3HB LYS 45 0.237 -9.802 13.214 368 HG2 LYS 45 2HG LYS 45 -2.157 -9.369 13.576 369 HG3 LYS 45 3HG LYS 45 -2.374 -9.112 11.841 370 HD2 LYS 45 2HD LYS 45 -3.114 -11.360 12.409 371 HD3 LYS 45 3HD LYS 45 -1.657 -11.463 11.423 372 HE2 LYS 45 2HE LYS 45 -0.324 -11.874 13.481 373 HE3 LYS 45 3HE LYS 45 -1.802 -11.799 14.441 374 HZ1 LYS 45 3HZ LYS 45 -1.197 -14.079 13.976 375 HZ2 LYS 45 1HZ LYS 45 -1.213 -13.790 12.309 376 HZ3 LYS 45 2HZ LYS 45 -2.650 -13.706 13.195 377 H SER 46 H SER 46 1.462 -7.578 10.502 378 HA SER 46 HA SER 46 4.033 -7.843 11.642 379 HB2 SER 46 2HB SER 46 3.532 -8.379 9.286 380 HB3 SER 46 3HB SER 46 3.188 -6.684 8.955 381 HG SER 46 HG SER 46 5.455 -6.355 9.747 382 H MET 47 H MET 47 2.027 -5.023 10.793 383 HA MET 47 HA MET 47 4.015 -3.042 11.140 384 HB2 MET 47 2HB MET 47 0.982 -2.816 11.368 385 HB3 MET 47 3HB MET 47 2.075 -1.437 11.314 386 HG2 MET 47 2HG MET 47 1.727 -3.480 9.111 387 HG3 MET 47 3HG MET 47 0.998 -1.877 9.138 388 HE1 MET 47 3HE MET 47 2.373 0.379 8.890 389 HE2 MET 47 1HE MET 47 4.129 0.451 8.742 390 HE3 MET 47 2HE MET 47 3.393 -0.046 10.265 391 H LYS 48 H LYS 48 2.450 -4.968 13.460 392 HA LYS 48 HA LYS 48 2.894 -3.164 15.711 393 HB2 LYS 48 2HB LYS 48 2.010 -6.077 15.693 394 HB3 LYS 48 3HB LYS 48 1.950 -4.978 17.069 395 HG2 LYS 48 2HG LYS 48 0.295 -3.583 15.879 396 HG3 LYS 48 3HG LYS 48 0.344 -4.712 14.514 397 HD2 LYS 48 2HD LYS 48 -0.466 -6.526 16.013 398 HD3 LYS 48 3HD LYS 48 -0.532 -5.378 17.355 399 HE2 LYS 48 2HE LYS 48 -2.163 -4.023 15.985 400 HE3 LYS 48 3HE LYS 48 -2.200 -5.362 14.832 401 HZ1 LYS 48 3HZ LYS 48 -4.008 -5.411 16.490 402 HZ2 LYS 48 1HZ LYS 48 -2.865 -5.618 17.714 403 HZ3 LYS 48 2HZ LYS 48 -3.051 -6.801 16.521 404 H ASP 49 H ASP 49 4.370 -5.937 14.147 405 HA ASP 49 HA ASP 49 6.286 -6.481 16.255 406 HB2 ASP 49 2HB ASP 49 5.455 -8.345 14.901 407 HB3 ASP 49 3HB ASP 49 6.023 -7.585 13.421 408 H ASN 50 H ASN 50 6.383 -4.938 13.028 409 HA ASN 50 HA ASN 50 9.172 -4.082 13.510 410 HB2 ASN 50 2HB ASN 50 9.732 -4.444 11.202 411 HB3 ASN 50 3HB ASN 50 9.013 -5.924 11.805 412 HD21 ASN 50 1HD2 ASN 50 9.318 -5.425 9.101 413 HD22 ASN 50 2HD2 ASN 50 7.771 -5.220 8.362 414 H GLY 51 H GLY 51 6.040 -3.271 12.070 415 HA2 GLY 51 2HA GLY 51 5.074 -1.254 11.580 416 HA3 GLY 51 3HA GLY 51 6.345 -0.462 12.498 417 H LYS 52 H LYS 52 7.828 0.671 11.414 418 HA LYS 52 HA LYS 52 9.153 1.595 9.830 419 HB2 LYS 52 2HB LYS 52 8.641 -0.830 8.055 420 HB3 LYS 52 3HB LYS 52 10.015 0.261 7.986 421 HG2 LYS 52 2HG LYS 52 9.413 -1.842 10.077 422 HG3 LYS 52 3HG LYS 52 10.749 -1.814 8.930 423 HD2 LYS 52 2HD LYS 52 10.376 0.124 11.243 424 HD3 LYS 52 3HD LYS 52 11.463 -1.261 11.243 425 HE2 LYS 52 2HE LYS 52 12.696 -0.215 9.325 426 HE3 LYS 52 3HE LYS 52 11.667 1.212 9.500 427 HZ1 LYS 52 3HZ LYS 52 13.758 1.504 10.682 428 HZ2 LYS 52 1HZ LYS 52 13.480 0.102 11.582 429 HZ3 LYS 52 2HZ LYS 52 12.481 1.446 11.789 430 HA PRO 53 HA PRO 53 6.415 3.452 6.615 431 HB2 PRO 53 2HB PRO 53 8.672 3.657 4.673 432 HB3 PRO 53 3HB PRO 53 7.741 4.957 5.443 433 HG2 PRO 53 2HG PRO 53 10.326 4.474 6.081 434 HG3 PRO 53 3HG PRO 53 9.148 5.100 7.254 435 HD2 PRO 53 2HD PRO 53 10.184 2.293 6.939 436 HD3 PRO 53 3HD PRO 53 9.864 3.219 8.424 437 H LEU 54 H LEU 54 5.082 2.146 5.424 438 HA LEU 54 HA LEU 54 6.224 -0.099 3.867 439 HB2 LEU 54 2HB LEU 54 4.850 -0.498 6.125 440 HB3 LEU 54 3HB LEU 54 3.459 -0.216 5.095 441 HG LEU 54 HG LEU 54 4.312 -2.103 3.596 442 HD11 LEU 54 1HD1 LEU 54 6.184 -2.655 5.915 443 HD12 LEU 54 2HD1 LEU 54 6.661 -2.102 4.306 444 HD13 LEU 54 3HD1 LEU 54 5.918 -3.689 4.507 445 HD21 LEU 54 3HD2 LEU 54 3.466 -3.894 5.013 446 HD22 LEU 54 1HD2 LEU 54 2.469 -2.448 5.174 447 HD23 LEU 54 2HD2 LEU 54 3.623 -2.870 6.443 448 H VAL 55 H VAL 55 4.634 -0.845 2.144 449 HA VAL 55 HA VAL 55 2.932 1.225 0.967 450 HB VAL 55 HB VAL 55 5.248 0.030 -0.661 451 HG11 VAL 55 1HG1 VAL 55 4.491 1.534 -2.467 452 HG12 VAL 55 2HG1 VAL 55 3.136 2.058 -1.465 453 HG13 VAL 55 3HG1 VAL 55 3.235 0.381 -2.009 454 HG21 VAL 55 3HG2 VAL 55 6.132 1.767 0.850 455 HG22 VAL 55 1HG2 VAL 55 4.936 2.917 0.246 456 HG23 VAL 55 2HG2 VAL 55 6.195 2.300 -0.831 457 H VAL 56 H VAL 56 1.139 -0.118 1.070 458 HA VAL 56 HA VAL 56 1.337 -2.914 0.149 459 HB VAL 56 HB VAL 56 -0.909 -1.479 1.645 460 HG11 VAL 56 1HG1 VAL 56 -0.853 -4.372 0.691 461 HG12 VAL 56 2HG1 VAL 56 -1.946 -3.108 0.122 462 HG13 VAL 56 3HG1 VAL 56 -2.056 -3.683 1.786 463 HG21 VAL 56 3HG2 VAL 56 -0.342 -3.023 3.484 464 HG22 VAL 56 1HG2 VAL 56 1.062 -2.057 3.020 465 HG23 VAL 56 2HG2 VAL 56 0.938 -3.739 2.500 466 H PHE 57 H PHE 57 1.014 -3.258 -1.935 467 HA PHE 57 HA PHE 57 -0.652 -1.561 -3.617 468 HB2 PHE 57 2HB PHE 57 1.114 -3.983 -4.174 469 HB3 PHE 57 3HB PHE 57 0.061 -3.300 -5.406 470 HD1 PHE 57 HD2 PHE 57 3.086 -2.654 -3.333 471 HD2 PHE 57 HD1 PHE 57 0.618 -1.212 -6.518 472 HE1 PHE 57 HE2 PHE 57 4.809 -0.999 -3.941 473 HE2 PHE 57 HE1 PHE 57 2.346 0.427 -7.113 474 HZ PHE 57 HZ PHE 57 4.440 0.541 -5.824 475 H VAL 58 H VAL 58 -2.756 -1.885 -3.731 476 HA VAL 58 HA VAL 58 -4.076 -4.273 -2.744 477 HB VAL 58 HB VAL 58 -5.262 -1.739 -3.979 478 HG11 VAL 58 1HG1 VAL 58 -7.403 -2.418 -2.952 479 HG12 VAL 58 2HG1 VAL 58 -6.662 -3.919 -2.391 480 HG13 VAL 58 3HG1 VAL 58 -6.844 -3.621 -4.121 481 HG21 VAL 58 3HG2 VAL 58 -4.017 -1.234 -1.921 482 HG22 VAL 58 1HG2 VAL 58 -4.924 -2.470 -1.047 483 HG23 VAL 58 2HG2 VAL 58 -5.752 -1.035 -1.659 484 H ASN 59 H ASN 59 -3.544 -5.914 -4.214 485 HA ASN 59 HA ASN 59 -4.379 -5.601 -7.043 486 HB2 ASN 59 2HB ASN 59 -2.022 -6.126 -6.813 487 HB3 ASN 59 3HB ASN 59 -2.353 -7.424 -5.674 488 HD21 ASN 59 1HD2 ASN 59 -3.103 -9.434 -6.472 489 HD22 ASN 59 2HD2 ASN 59 -2.982 -9.854 -8.145 490 H GLY 60 H GLY 60 -6.553 -6.194 -6.998 491 HA2 GLY 60 2HA GLY 60 -8.026 -7.995 -7.501 492 HA3 GLY 60 3HA GLY 60 -7.104 -9.059 -6.447 493 H ALA 61 H ALA 61 -7.092 -6.876 -4.322 494 HA ALA 61 HA ALA 61 -9.511 -7.618 -2.965 495 HB1 ALA 61 3HB ALA 61 -7.395 -5.576 -2.205 496 HB2 ALA 61 1HB ALA 61 -7.422 -7.273 -1.726 497 HB3 ALA 61 2HB ALA 61 -8.670 -6.171 -1.142 498 H SER 62 H SER 62 -11.184 -6.200 -2.262 499 HA SER 62 HA SER 62 -11.958 -4.193 -4.262 500 HB2 SER 62 2HB SER 62 -13.613 -5.628 -2.141 501 HB3 SER 62 3HB SER 62 -14.245 -4.636 -3.459 502 HG SER 62 HG SER 62 -13.449 -7.243 -3.462 503 H GLN 63 H GLN 63 -13.558 -2.499 -3.263 504 HA GLN 63 HA GLN 63 -12.201 -0.694 -1.581 505 HB2 GLN 63 2HB GLN 63 -13.927 -0.025 -3.241 506 HB3 GLN 63 3HB GLN 63 -15.167 -0.828 -2.287 507 HG2 GLN 63 2HG GLN 63 -15.271 1.594 -1.990 508 HG3 GLN 63 3HG GLN 63 -14.842 0.816 -0.468 509 HE21 GLN 63 1HE2 GLN 63 -12.749 1.145 0.369 510 HE22 GLN 63 2HE2 GLN 63 -11.710 2.391 -0.222 511 H ASN 64 H ASN 64 -14.582 -3.190 -0.891 512 HA ASN 64 HA ASN 64 -15.262 -2.546 1.773 513 HB2 ASN 64 2HB ASN 64 -15.172 -5.281 0.414 514 HB3 ASN 64 3HB ASN 64 -15.990 -4.937 1.937 515 HD21 ASN 64 1HD2 ASN 64 -17.965 -5.655 1.024 516 HD22 ASN 64 2HD2 ASN 64 -18.837 -4.714 -0.136 517 H ASP 65 H ASP 65 -12.620 -4.454 0.401 518 HA ASP 65 HA ASP 65 -11.536 -5.414 2.893 519 HB2 ASP 65 2HB ASP 65 -10.159 -5.257 0.171 520 HB3 ASP 65 3HB ASP 65 -9.639 -6.231 1.544 521 H VAL 66 H VAL 66 -10.958 -2.707 0.749 522 HA VAL 66 HA VAL 66 -8.630 -1.592 1.895 523 HB VAL 66 HB VAL 66 -10.928 -0.374 0.297 524 HG11 VAL 66 1HG1 VAL 66 -8.420 1.080 1.193 525 HG12 VAL 66 2HG1 VAL 66 -10.070 1.445 1.696 526 HG13 VAL 66 3HG1 VAL 66 -9.586 1.690 0.016 527 HG21 VAL 66 3HG2 VAL 66 -8.036 -0.955 -0.444 528 HG22 VAL 66 1HG2 VAL 66 -9.253 -0.259 -1.520 529 HG23 VAL 66 2HG2 VAL 66 -9.438 -1.912 -0.927 530 H ASN 67 H ASN 67 -12.080 -1.205 2.620 531 HA ASN 67 HA ASN 67 -11.760 0.781 4.647 532 HB2 ASN 67 2HB ASN 67 -14.093 -1.039 3.925 533 HB3 ASN 67 3HB ASN 67 -14.170 0.132 5.242 534 HD21 ASN 67 1HD2 ASN 67 -15.877 1.193 4.152 535 HD22 ASN 67 2HD2 ASN 67 -15.581 2.214 2.792 536 H GLU 68 H GLU 68 -11.875 -2.783 4.690 537 HA GLU 68 HA GLU 68 -11.783 -3.176 7.474 538 HB2 GLU 68 2HB GLU 68 -10.566 -4.826 5.225 539 HB3 GLU 68 3HB GLU 68 -10.548 -5.342 6.906 540 HG2 GLU 68 2HG GLU 68 -13.053 -4.800 5.291 541 HG3 GLU 68 3HG GLU 68 -12.352 -6.393 5.558 542 H PHE 69 H PHE 69 -9.186 -2.510 5.119 543 HA PHE 69 HA PHE 69 -6.969 -2.675 6.823 544 HB2 PHE 69 2HB PHE 69 -6.658 -2.521 4.394 545 HB3 PHE 69 3HB PHE 69 -7.367 -0.913 4.363 546 HD1 PHE 69 HD1 PHE 69 -4.464 -2.825 5.781 547 HD2 PHE 69 HD2 PHE 69 -5.961 0.996 4.569 548 HE1 PHE 69 HE1 PHE 69 -2.245 -1.832 6.149 549 HE2 PHE 69 HE2 PHE 69 -3.742 1.971 4.936 550 HZ PHE 69 HZ PHE 69 -1.895 0.567 5.733 551 H GLN 70 H GLN 70 -8.803 0.209 5.804 552 HA GLN 70 HA GLN 70 -7.471 2.138 7.230 553 HB2 GLN 70 2HB GLN 70 -10.401 2.035 6.417 554 HB3 GLN 70 3HB GLN 70 -9.590 3.495 6.987 555 HG2 GLN 70 2HG GLN 70 -8.092 3.488 5.080 556 HG3 GLN 70 3HG GLN 70 -8.701 1.918 4.550 557 HE21 GLN 70 1HE2 GLN 70 -10.779 1.813 3.600 558 HE22 GLN 70 2HE2 GLN 70 -11.587 3.211 2.994 559 H ASN 71 H ASN 71 -10.408 0.371 8.336 560 HA ASN 71 HA ASN 71 -10.641 1.576 10.882 561 HB2 ASN 71 2HB ASN 71 -11.619 -1.097 9.803 562 HB3 ASN 71 3HB ASN 71 -11.859 -0.680 11.493 563 HD21 ASN 71 1HD2 ASN 71 -12.962 -0.172 8.272 564 HD22 ASN 71 2HD2 ASN 71 -14.280 0.866 8.668 565 H GLU 72 H GLU 72 -9.374 -1.684 10.145 566 HA GLU 72 HA GLU 72 -8.415 -2.318 12.636 567 HB2 GLU 72 2HB GLU 72 -7.544 -3.276 9.893 568 HB3 GLU 72 3HB GLU 72 -6.930 -3.994 11.377 569 HG2 GLU 72 2HG GLU 72 -9.847 -3.884 10.570 570 HG3 GLU 72 3HG GLU 72 -8.794 -5.286 10.393 571 H ALA 73 H ALA 73 -6.598 -0.569 10.100 572 HA ALA 73 HA ALA 73 -4.119 -0.593 11.456 573 HB1 ALA 73 3HB ALA 73 -3.452 1.142 9.851 574 HB2 ALA 73 1HB ALA 73 -5.142 1.349 9.362 575 HB3 ALA 73 2HB ALA 73 -4.311 -0.175 9.048 576 H LYS 74 H LYS 74 -6.563 2.023 11.137 577 HA LYS 74 HA LYS 74 -5.165 3.916 12.655 578 HB2 LYS 74 2HB LYS 74 -7.129 5.300 12.582 579 HB3 LYS 74 3HB LYS 74 -7.010 4.439 11.054 580 HG2 LYS 74 2HG LYS 74 -8.717 2.791 11.999 581 HG3 LYS 74 3HG LYS 74 -8.952 3.931 13.324 582 HD2 LYS 74 2HD LYS 74 -9.422 4.495 10.367 583 HD3 LYS 74 3HD LYS 74 -10.672 4.217 11.575 584 HE2 LYS 74 2HE LYS 74 -10.035 6.293 12.738 585 HE3 LYS 74 3HE LYS 74 -8.733 6.561 11.574 586 HZ1 LYS 74 3HZ LYS 74 -10.391 6.743 9.813 587 HZ2 LYS 74 1HZ LYS 74 -10.695 7.881 11.022 588 HZ3 LYS 74 2HZ LYS 74 -11.641 6.484 10.916 589 H LYS 75 H LYS 75 -7.392 1.376 13.795 590 HA LYS 75 HA LYS 75 -7.630 2.514 16.447 591 HB2 LYS 75 2HB LYS 75 -8.867 0.480 17.014 592 HB3 LYS 75 3HB LYS 75 -9.450 1.174 15.508 593 HG2 LYS 75 2HG LYS 75 -8.116 -0.543 14.256 594 HG3 LYS 75 3HG LYS 75 -7.683 -1.280 15.800 595 HD2 LYS 75 2HD LYS 75 -10.493 -0.990 14.665 596 HD3 LYS 75 3HD LYS 75 -9.554 -2.480 14.765 597 HE2 LYS 75 2HE LYS 75 -10.464 -0.850 17.161 598 HE3 LYS 75 3HE LYS 75 -11.271 -2.296 16.556 599 HZ1 LYS 75 3HZ LYS 75 -9.809 -2.780 18.427 600 HZ2 LYS 75 1HZ LYS 75 -8.475 -2.201 17.567 601 HZ3 LYS 75 2HZ LYS 75 -9.294 -3.580 17.031 602 H GLU 76 H GLU 76 -5.415 0.261 14.898 603 HA GLU 76 HA GLU 76 -4.279 -0.603 17.478 604 HB2 GLU 76 2HB GLU 76 -3.580 -1.480 14.651 605 HB3 GLU 76 3HB GLU 76 -2.968 -2.200 16.137 606 HG2 GLU 76 2HG GLU 76 -5.836 -2.235 15.159 607 HG3 GLU 76 3HG GLU 76 -4.723 -3.596 15.197 608 H GLY 77 H GLY 77 -3.864 2.064 15.636 609 HA2 GLY 77 2HA GLY 77 -2.352 3.771 16.197 610 HA3 GLY 77 3HA GLY 77 -1.259 2.584 16.886 611 H VAL 78 H VAL 78 -2.235 1.481 13.897 612 HA VAL 78 HA VAL 78 0.284 2.138 12.625 613 HB VAL 78 HB VAL 78 -2.126 0.642 11.493 614 HG11 VAL 78 1HG1 VAL 78 -0.546 -0.298 9.851 615 HG12 VAL 78 2HG1 VAL 78 0.759 0.676 10.531 616 HG13 VAL 78 3HG1 VAL 78 -0.607 1.463 9.734 617 HG21 VAL 78 3HG2 VAL 78 -0.955 -1.440 12.091 618 HG22 VAL 78 1HG2 VAL 78 -1.294 -0.465 13.525 619 HG23 VAL 78 2HG2 VAL 78 0.337 -0.506 12.851 620 H SER 79 H SER 79 0.559 3.974 11.509 621 HA SER 79 HA SER 79 -1.638 5.645 10.625 622 HB2 SER 79 2HB SER 79 1.365 5.965 10.206 623 HB3 SER 79 3HB SER 79 0.142 7.215 9.951 624 HG SER 79 HG SER 79 0.425 5.910 12.443 625 H TYR 80 H TYR 80 -1.880 6.342 8.342 626 HA TYR 80 HA TYR 80 -0.613 4.846 6.222 627 HB2 TYR 80 2HB TYR 80 -2.715 3.817 5.311 628 HB3 TYR 80 3HB TYR 80 -2.217 3.127 6.848 629 HD1 TYR 80 HD1 TYR 80 -3.550 3.523 8.891 630 HD2 TYR 80 HD2 TYR 80 -4.825 5.105 5.131 631 HE1 TYR 80 HE1 TYR 80 -5.774 3.949 9.825 632 HE2 TYR 80 HE2 TYR 80 -7.057 5.535 6.075 633 HH TYR 80 HH TYR 80 -8.474 4.770 7.924 634 H ASP 81 H ASP 81 -1.004 5.628 4.161 635 HA ASP 81 HA ASP 81 -2.704 8.023 3.795 636 HB2 ASP 81 2HB ASP 81 -0.268 8.595 3.777 637 HB3 ASP 81 3HB ASP 81 0.016 7.388 2.528 638 H VAL 82 H VAL 82 -4.350 7.502 2.436 639 HA VAL 82 HA VAL 82 -4.237 5.077 0.806 640 HB VAL 82 HB VAL 82 -6.602 6.961 1.298 641 HG11 VAL 82 1HG1 VAL 82 -6.853 5.644 -0.767 642 HG12 VAL 82 2HG1 VAL 82 -7.994 5.095 0.463 643 HG13 VAL 82 3HG1 VAL 82 -6.537 4.155 0.127 644 HG21 VAL 82 3HG2 VAL 82 -5.850 5.925 3.412 645 HG22 VAL 82 1HG2 VAL 82 -5.932 4.324 2.672 646 HG23 VAL 82 2HG2 VAL 82 -7.408 5.262 2.913 647 H LEU 83 H LEU 83 -3.252 5.338 -1.063 648 HA LEU 83 HA LEU 83 -3.465 7.803 -2.663 649 HB2 LEU 83 2HB LEU 83 -1.213 6.921 -2.165 650 HB3 LEU 83 3HB LEU 83 -1.630 5.381 -2.894 651 HG LEU 83 HG LEU 83 -1.844 6.561 -5.128 652 HD11 LEU 83 1HD1 LEU 83 -0.659 8.945 -3.684 653 HD12 LEU 83 2HD1 LEU 83 -2.293 8.833 -4.345 654 HD13 LEU 83 3HD1 LEU 83 -0.904 8.791 -5.427 655 HD21 LEU 83 3HD2 LEU 83 0.576 6.745 -5.524 656 HD22 LEU 83 1HD2 LEU 83 0.190 5.330 -4.543 657 HD23 LEU 83 2HD2 LEU 83 0.868 6.771 -3.782 658 H LYS 84 H LYS 84 -5.443 7.638 -3.683 659 HA LYS 84 HA LYS 84 -5.979 5.288 -5.417 660 HB2 LYS 84 2HB LYS 84 -7.822 7.564 -4.575 661 HB3 LYS 84 3HB LYS 84 -8.269 6.271 -5.686 662 HG2 LYS 84 2HG LYS 84 -7.884 4.613 -3.875 663 HG3 LYS 84 3HG LYS 84 -7.522 5.939 -2.764 664 HD2 LYS 84 2HD LYS 84 -9.807 6.828 -3.061 665 HD3 LYS 84 3HD LYS 84 -10.171 5.542 -4.217 666 HE2 LYS 84 2HE LYS 84 -9.891 3.861 -2.462 667 HE3 LYS 84 3HE LYS 84 -9.449 5.116 -1.302 668 HZ1 LYS 84 3HZ LYS 84 -12.084 4.864 -2.654 669 HZ2 LYS 84 1HZ LYS 84 -11.656 6.069 -1.546 670 HZ3 LYS 84 2HZ LYS 84 -11.747 4.457 -1.054 671 H SER 85 H SER 85 -4.770 5.598 -7.175 672 HA SER 85 HA SER 85 -5.296 7.892 -8.926 673 HB2 SER 85 2HB SER 85 -2.445 7.213 -8.065 674 HB3 SER 85 3HB SER 85 -2.893 8.415 -9.274 675 HG SER 85 HG SER 85 -4.267 9.008 -7.139 676 H THR 86 H THR 86 -5.215 7.370 -11.064 677 HA THR 86 HA THR 86 -4.207 4.686 -11.846 678 HB THR 86 HB THR 86 -5.798 4.768 -13.768 679 HG1 THR 86 HG1 THR 86 -6.076 7.099 -13.809 680 HG21 THR 86 3HG2 THR 86 -7.144 5.108 -11.058 681 HG22 THR 86 1HG2 THR 86 -6.511 3.600 -11.727 682 HG23 THR 86 2HG2 THR 86 -7.893 4.391 -12.486 683 H ASP 87 H ASP 87 -2.118 5.473 -12.148 684 HA ASP 87 HA ASP 87 -1.376 6.803 -14.530 685 HB2 ASP 87 2HB ASP 87 -2.392 8.749 -13.183 686 HB3 ASP 87 3HB ASP 87 -1.108 8.517 -12.010 687 HA PRO 88 HA PRO 88 1.671 4.007 -12.705 688 HB2 PRO 88 2HB PRO 88 3.474 3.937 -14.831 689 HB3 PRO 88 3HB PRO 88 1.967 3.001 -14.750 690 HG2 PRO 88 2HG PRO 88 2.501 5.574 -16.181 691 HG3 PRO 88 3HG PRO 88 1.550 4.167 -16.705 692 HD2 PRO 88 2HD PRO 88 0.377 6.422 -15.756 693 HD3 PRO 88 3HD PRO 88 -0.327 4.810 -15.498 694 H GLU 89 H GLU 89 2.589 7.226 -13.839 695 HA GLU 89 HA GLU 89 5.211 7.013 -12.495 696 HB2 GLU 89 2HB GLU 89 5.705 9.279 -13.380 697 HB3 GLU 89 3HB GLU 89 5.398 8.093 -14.635 698 HG2 GLU 89 2HG GLU 89 3.073 9.768 -13.791 699 HG3 GLU 89 3HG GLU 89 4.368 10.592 -14.649 700 H GLU 90 H GLU 90 2.004 8.285 -11.979 701 HA GLU 90 HA GLU 90 2.590 10.109 -9.861 702 HB2 GLU 90 2HB GLU 90 0.412 10.002 -11.117 703 HB3 GLU 90 3HB GLU 90 0.067 8.464 -10.339 704 HG2 GLU 90 2HG GLU 90 -1.188 10.184 -9.228 705 HG3 GLU 90 3HG GLU 90 0.068 9.616 -8.129 706 H LEU 91 H LEU 91 1.591 6.701 -9.988 707 HA LEU 91 HA LEU 91 1.466 6.236 -7.205 708 HB2 LEU 91 2HB LEU 91 1.979 4.221 -9.428 709 HB3 LEU 91 3HB LEU 91 1.536 3.815 -7.779 710 HG LEU 91 HG LEU 91 -0.221 5.227 -9.826 711 HD11 LEU 91 1HD1 LEU 91 -0.492 2.489 -8.546 712 HD12 LEU 91 2HD1 LEU 91 0.024 2.815 -10.202 713 HD13 LEU 91 3HD1 LEU 91 -1.616 3.220 -9.700 714 HD21 LEU 91 3HD2 LEU 91 -0.687 6.163 -7.626 715 HD22 LEU 91 1HD2 LEU 91 -0.870 4.545 -6.941 716 HD23 LEU 91 2HD2 LEU 91 -2.016 5.135 -8.148 717 H THR 92 H THR 92 4.101 5.760 -9.573 718 HA THR 92 HA THR 92 5.953 4.502 -7.838 719 HB THR 92 HB THR 92 6.555 6.085 -10.374 720 HG1 THR 92 HG1 THR 92 4.999 4.140 -10.320 721 HG21 THR 92 3HG2 THR 92 8.619 5.582 -9.111 722 HG22 THR 92 1HG2 THR 92 8.535 4.585 -10.567 723 HG23 THR 92 2HG2 THR 92 8.150 3.886 -8.994 724 H GLN 93 H GLN 93 5.550 7.959 -8.773 725 HA GLN 93 HA GLN 93 7.886 8.869 -7.444 726 HB2 GLN 93 2HB GLN 93 7.086 11.135 -7.746 727 HB3 GLN 93 3HB GLN 93 6.770 10.222 -9.213 728 HG2 GLN 93 2HG GLN 93 4.389 10.037 -8.600 729 HG3 GLN 93 3HG GLN 93 4.706 10.908 -7.098 730 HE21 GLN 93 1HE2 GLN 93 3.151 12.487 -7.728 731 HE22 GLN 93 2HE2 GLN 93 3.516 13.682 -8.921 732 H ARG 94 H ARG 94 4.526 8.421 -6.408 733 HA ARG 94 HA ARG 94 4.852 9.716 -3.877 734 HB2 ARG 94 2HB ARG 94 2.706 7.806 -4.854 735 HB3 ARG 94 3HB ARG 94 2.640 8.668 -3.322 736 HG2 ARG 94 2HG ARG 94 2.659 9.927 -6.084 737 HG3 ARG 94 3HG ARG 94 1.267 9.791 -5.014 738 HD2 ARG 94 2HD ARG 94 2.259 11.358 -3.435 739 HD3 ARG 94 3HD ARG 94 3.773 11.384 -4.349 740 HE ARG 94 HE ARG 94 1.328 12.236 -5.723 741 HH11 ARG 94 1HH1 ARG 94 4.338 13.254 -4.177 742 HH12 ARG 94 2HH1 ARG 94 4.294 14.837 -4.895 743 HH21 ARG 94 1HH2 ARG 94 1.312 14.266 -6.676 744 HH22 ARG 94 2HH2 ARG 94 2.570 15.409 -6.318 745 H VAL 95 H VAL 95 5.168 6.317 -4.940 746 HA VAL 95 HA VAL 95 5.450 5.074 -2.418 747 HB VAL 95 HB VAL 95 6.610 4.314 -5.142 748 HG11 VAL 95 1HG1 VAL 95 6.645 2.609 -2.619 749 HG12 VAL 95 2HG1 VAL 95 8.053 3.272 -3.449 750 HG13 VAL 95 3HG1 VAL 95 7.064 2.044 -4.239 751 HG21 VAL 95 3HG2 VAL 95 4.265 3.158 -3.597 752 HG22 VAL 95 1HG2 VAL 95 4.831 2.604 -5.175 753 HG23 VAL 95 2HG2 VAL 95 4.152 4.221 -4.995 754 H ARG 96 H ARG 96 7.882 6.451 -4.624 755 HA ARG 96 HA ARG 96 10.114 5.652 -3.060 756 HB2 ARG 96 2HB ARG 96 11.491 6.853 -4.647 757 HB3 ARG 96 3HB ARG 96 10.241 5.966 -5.505 758 HG2 ARG 96 2HG ARG 96 8.955 8.133 -5.693 759 HG3 ARG 96 3HG ARG 96 10.368 8.952 -5.023 760 HD2 ARG 96 2HD ARG 96 10.234 7.371 -7.612 761 HD3 ARG 96 3HD ARG 96 10.407 9.120 -7.449 762 HE ARG 96 HE ARG 96 12.559 8.153 -6.103 763 HH11 ARG 96 1HH1 ARG 96 11.384 7.636 -9.387 764 HH12 ARG 96 2HH1 ARG 96 12.967 7.341 -10.032 765 HH21 ARG 96 1HH2 ARG 96 14.622 7.735 -6.957 766 HH22 ARG 96 2HH2 ARG 96 14.805 7.397 -8.652 767 H GLU 97 H GLU 97 8.343 8.747 -3.316 768 HA GLU 97 HA GLU 97 10.137 10.169 -1.551 769 HB2 GLU 97 2HB GLU 97 8.602 12.027 -1.737 770 HB3 GLU 97 3HB GLU 97 8.766 11.294 -3.328 771 HG2 GLU 97 2HG GLU 97 6.605 10.101 -2.957 772 HG3 GLU 97 3HG GLU 97 6.429 10.949 -1.424 773 H PHE 98 H PHE 98 7.316 8.129 -1.123 774 HA PHE 98 HA PHE 98 6.492 9.000 1.458 775 HB2 PHE 98 2HB PHE 98 5.103 7.569 -0.056 776 HB3 PHE 98 3HB PHE 98 6.224 6.235 0.186 777 HD1 PHE 98 HD1 PHE 98 3.602 8.314 1.742 778 HD2 PHE 98 HD2 PHE 98 6.191 4.939 2.259 779 HE1 PHE 98 HE1 PHE 98 2.316 7.614 3.715 780 HE2 PHE 98 HE2 PHE 98 4.898 4.259 4.226 781 HZ PHE 98 HZ PHE 98 2.967 5.591 4.946 782 H LEU 99 H LEU 99 8.691 6.443 0.317 783 HA LEU 99 HA LEU 99 9.440 5.485 2.902 784 HB2 LEU 99 2HB LEU 99 10.888 5.252 0.240 785 HB3 LEU 99 3HB LEU 99 11.284 4.325 1.679 786 HG LEU 99 HG LEU 99 8.689 4.139 0.091 787 HD11 LEU 99 1HD1 LEU 99 10.572 3.105 -1.077 788 HD12 LEU 99 2HD1 LEU 99 9.431 1.885 -0.519 789 HD13 LEU 99 3HD1 LEU 99 10.950 2.132 0.348 790 HD21 LEU 99 3HD2 LEU 99 8.089 2.264 1.570 791 HD22 LEU 99 1HD2 LEU 99 8.234 3.778 2.464 792 HD23 LEU 99 2HD2 LEU 99 9.521 2.573 2.555 793 H LYS 100 H LYS 100 10.277 8.344 1.255 794 HA LYS 100 HA LYS 100 12.813 8.779 2.657 795 HB2 LYS 100 2HB LYS 100 11.294 10.565 0.716 796 HB3 LYS 100 3HB LYS 100 12.849 10.962 1.425 797 HG2 LYS 100 2HG LYS 100 12.470 8.500 -0.294 798 HG3 LYS 100 3HG LYS 100 12.801 10.082 -0.986 799 HD2 LYS 100 2HD LYS 100 14.900 8.991 -0.890 800 HD3 LYS 100 3HD LYS 100 14.924 10.139 0.442 801 HE2 LYS 100 2HE LYS 100 14.508 8.324 2.033 802 HE3 LYS 100 3HE LYS 100 14.352 7.168 0.712 803 HZ1 LYS 100 3HZ LYS 100 16.825 8.725 1.221 804 HZ2 LYS 100 1HZ LYS 100 16.634 7.416 0.175 805 HZ3 LYS 100 2HZ LYS 100 16.560 7.179 1.846 806 H THR 101 H THR 101 9.389 9.840 2.826 807 HA THR 101 HA THR 101 10.072 12.105 4.579 808 HB THR 101 HB THR 101 7.639 12.723 4.252 809 HG1 THR 101 HG1 THR 101 7.320 11.096 2.054 810 HG21 THR 101 3HG2 THR 101 7.861 13.457 1.899 811 HG22 THR 101 1HG2 THR 101 9.235 12.366 1.684 812 HG23 THR 101 2HG2 THR 101 9.358 13.737 2.790 813 H ALA 102 H ALA 102 8.160 9.099 4.561 814 HA ALA 102 HA ALA 102 7.599 9.223 7.415 815 HB1 ALA 102 3HB ALA 102 7.279 6.915 5.448 816 HB2 ALA 102 1HB ALA 102 6.025 8.096 5.853 817 HB3 ALA 102 2HB ALA 102 6.622 6.983 7.085 818 H GLY 103 H GLY 103 10.348 8.674 5.643 819 HA2 GLY 103 2HA GLY 103 11.387 6.220 6.608 820 HA3 GLY 103 3HA GLY 103 12.262 7.483 5.766 821 H SER 104 H SER 104 11.147 6.416 8.945 822 HA SER 104 HA SER 104 12.201 6.260 10.941 823 HB2 SER 104 2HB SER 104 14.165 5.625 9.420 824 HB3 SER 104 3HB SER 104 14.743 7.277 9.611 825 HG SER 104 HG SER 104 14.845 6.888 11.871 826 H LEU 105 H LEU 105 11.254 9.048 9.747 827 HA LEU 105 HA LEU 105 12.813 10.983 11.210 828 HB2 LEU 105 2HB LEU 105 10.230 11.270 9.647 829 HB3 LEU 105 3HB LEU 105 11.026 12.617 10.439 830 HG LEU 105 HG LEU 105 12.180 10.973 8.145 831 HD11 LEU 105 1HD1 LEU 105 11.956 13.012 6.814 832 HD12 LEU 105 2HD1 LEU 105 11.217 13.851 8.179 833 HD13 LEU 105 3HD1 LEU 105 10.389 12.490 7.422 834 HD21 LEU 105 3HD2 LEU 105 13.967 11.693 9.647 835 HD22 LEU 105 1HD2 LEU 105 13.382 13.358 9.592 836 HD23 LEU 105 2HD2 LEU 105 14.032 12.595 8.137 837 H GLU 106 H GLU 106 12.672 10.420 13.345 838 HA GLU 106 HA GLU 106 10.169 10.571 14.839 839 HB2 GLU 106 2HB GLU 106 13.066 10.483 15.806 840 HB3 GLU 106 3HB GLU 106 11.644 10.342 16.836 841 HG2 GLU 106 2HG GLU 106 11.045 8.227 15.626 842 HG3 GLU 106 3HG GLU 106 12.546 8.372 14.716 843 H HIS 107 H HIS 107 10.673 12.136 16.981 844 HA HIS 107 HA HIS 107 11.132 14.851 15.962 845 HB2 HIS 107 2HB HIS 107 9.184 14.491 17.448 846 HB3 HIS 107 3HB HIS 107 10.243 13.885 18.715 847 HD1 HIS 107 HD1 HIS 107 10.405 15.623 20.492 848 HD2 HIS 107 HD2 HIS 107 10.337 17.321 16.695 849 HE1 HIS 107 HE1 HIS 107 10.654 18.095 20.847 850 HE2 HIS 107 HE2 HIS 107 10.475 19.099 18.551 851 H HIS 108 H HIS 108 13.127 15.773 16.121 852 HA HIS 108 HA HIS 108 15.287 14.616 17.523 853 HB2 HIS 108 2HB HIS 108 16.500 16.803 17.069 854 HB3 HIS 108 3HB HIS 108 15.884 15.973 15.655 855 HD1 HIS 108 HD1 HIS 108 14.573 17.323 14.064 856 HD2 HIS 108 HD2 HIS 108 14.865 19.167 17.780 857 HE1 HIS 108 HE1 HIS 108 13.638 19.623 13.761 858 HE2 HIS 108 HE2 HIS 108 13.580 20.600 16.068 859 H HIS 109 H HIS 109 15.863 14.721 19.536 860 HA HIS 109 HA HIS 109 14.287 16.315 21.444 861 HB2 HIS 109 2HB HIS 109 15.984 13.810 21.823 862 HB3 HIS 109 3HB HIS 109 15.109 14.631 23.115 863 HD1 HIS 109 HD1 HIS 109 14.725 11.673 21.454 864 HD2 HIS 109 HD2 HIS 109 12.163 14.927 21.819 865 HE1 HIS 109 HE1 HIS 109 12.417 10.766 21.067 866 HE2 HIS 109 HE2 HIS 109 10.881 12.708 21.486 867 H HIS 110 H HIS 110 15.206 17.919 22.570 868 HA HIS 110 HA HIS 110 17.905 18.764 21.963 869 HB2 HIS 110 2HB HIS 110 15.828 20.015 23.810 870 HB3 HIS 110 3HB HIS 110 17.346 20.770 23.348 871 HD1 HIS 110 HD1 HIS 110 17.216 22.296 21.387 872 HD2 HIS 110 HD2 HIS 110 14.041 19.614 21.459 873 HE1 HIS 110 HE1 HIS 110 15.662 23.034 19.563 874 HE2 HIS 110 HE2 HIS 110 13.797 21.353 19.568 875 H HIS 111 H HIS 111 16.133 18.043 24.995 876 HA HIS 111 HA HIS 111 18.605 17.793 26.537 877 HB2 HIS 111 2HB HIS 111 15.691 17.446 27.367 878 HB3 HIS 111 3HB HIS 111 17.061 17.404 28.471 879 HD1 HIS 111 HD1 HIS 111 14.489 19.577 27.720 880 HD2 HIS 111 HD2 HIS 111 18.609 20.103 27.881 881 HE1 HIS 111 HE1 HIS 111 14.847 22.042 28.040 882 HE2 HIS 111 HE2 HIS 111 17.340 22.335 28.117 883 H HIS 112 H HIS 112 16.477 15.764 24.771 884 HA HIS 112 HA HIS 112 16.249 13.568 24.388 885 HB2 HIS 112 2HB HIS 112 18.959 13.301 25.753 886 HB3 HIS 112 3HB HIS 112 18.155 12.000 24.885 887 HD1 HIS 112 HD1 HIS 112 18.628 11.857 22.414 888 HD2 HIS 112 HD2 HIS 112 19.672 15.555 23.997 889 HE1 HIS 112 HE1 HIS 112 19.797 13.082 20.563 890 HE2 HIS 112 HE2 HIS 112 20.577 15.230 21.604 Start of MODEL 17 1 H1 MET 1 1H MET 1 3.228 5.534 14.890 2 H2 MET 1 2H MET 1 2.468 5.138 16.349 3 H3 MET 1 3H MET 1 1.693 4.830 14.878 4 HA MET 1 HA MET 1 4.217 3.569 15.747 5 HB2 MET 1 2HB MET 1 1.377 2.458 15.748 6 HB3 MET 1 3HB MET 1 2.820 1.488 16.024 7 HG2 MET 1 2HG MET 1 3.328 2.886 18.021 8 HG3 MET 1 3HG MET 1 1.814 3.751 17.761 9 HE1 MET 1 3HE MET 1 3.483 0.326 18.695 10 HE2 MET 1 1HE MET 1 2.508 -0.142 17.299 11 HE3 MET 1 2HE MET 1 2.076 -0.713 18.910 12 H GLY 2 H GLY 2 5.144 4.013 13.738 13 HA2 GLY 2 2HA GLY 2 5.744 3.595 11.574 14 HA3 GLY 2 3HA GLY 2 4.668 2.206 11.597 15 H LYS 3 H LYS 3 4.618 3.223 9.242 16 HA LYS 3 HA LYS 3 1.889 4.177 9.053 17 HB2 LYS 3 2HB LYS 3 3.112 6.346 9.066 18 HB3 LYS 3 3HB LYS 3 4.096 5.814 7.704 19 HG2 LYS 3 2HG LYS 3 2.083 5.685 6.283 20 HG3 LYS 3 3HG LYS 3 1.072 6.177 7.639 21 HD2 LYS 3 2HD LYS 3 3.289 7.901 6.476 22 HD3 LYS 3 3HD LYS 3 1.612 7.980 5.941 23 HE2 LYS 3 2HE LYS 3 0.960 8.553 8.307 24 HE3 LYS 3 3HE LYS 3 2.680 8.654 8.698 25 HZ1 LYS 3 3HZ LYS 3 2.905 10.379 6.988 26 HZ2 LYS 3 1HZ LYS 3 1.800 10.832 8.188 27 HZ3 LYS 3 2HZ LYS 3 1.244 10.300 6.677 28 H VAL 4 H VAL 4 0.902 3.612 7.111 29 HA VAL 4 HA VAL 4 2.492 1.989 5.192 30 HB VAL 4 HB VAL 4 -0.513 1.760 5.769 31 HG11 VAL 4 1HG1 VAL 4 1.343 -0.025 4.145 32 HG12 VAL 4 2HG1 VAL 4 0.096 1.051 3.504 33 HG13 VAL 4 3HG1 VAL 4 -0.361 -0.348 4.476 34 HG21 VAL 4 3HG2 VAL 4 1.710 -0.070 6.768 35 HG22 VAL 4 1HG2 VAL 4 -0.025 -0.333 6.981 36 HG23 VAL 4 2HG2 VAL 4 0.762 1.043 7.758 37 H LEU 5 H LEU 5 2.353 2.606 3.020 38 HA LEU 5 HA LEU 5 0.537 4.790 2.257 39 HB2 LEU 5 2HB LEU 5 2.962 5.042 1.721 40 HB3 LEU 5 3HB LEU 5 2.907 3.561 0.780 41 HG LEU 5 HG LEU 5 1.307 4.651 -0.813 42 HD11 LEU 5 1HD1 LEU 5 1.783 7.171 0.803 43 HD12 LEU 5 2HD1 LEU 5 0.266 6.275 0.674 44 HD13 LEU 5 3HD1 LEU 5 0.937 7.074 -0.745 45 HD21 LEU 5 3HD2 LEU 5 3.705 4.637 -1.322 46 HD22 LEU 5 1HD2 LEU 5 3.922 6.155 -0.444 47 HD23 LEU 5 2HD2 LEU 5 2.951 6.113 -1.920 48 H LEU 6 H LEU 6 -1.400 3.958 1.699 49 HA LEU 6 HA LEU 6 -1.683 1.257 0.644 50 HB2 LEU 6 2HB LEU 6 -3.157 2.221 2.487 51 HB3 LEU 6 3HB LEU 6 -3.819 3.337 1.306 52 HG LEU 6 HG LEU 6 -4.660 1.335 -0.012 53 HD11 LEU 6 1HD1 LEU 6 -3.812 -0.237 2.437 54 HD12 LEU 6 2HD1 LEU 6 -3.127 -0.365 0.814 55 HD13 LEU 6 3HD1 LEU 6 -4.797 -0.846 1.104 56 HD21 LEU 6 3HD2 LEU 6 -6.588 0.886 1.460 57 HD22 LEU 6 1HD2 LEU 6 -6.176 2.602 1.444 58 HD23 LEU 6 2HD2 LEU 6 -5.724 1.602 2.825 59 H VAL 7 H VAL 7 -1.060 1.258 -1.488 60 HA VAL 7 HA VAL 7 -1.686 3.471 -3.285 61 HB VAL 7 HB VAL 7 -0.120 0.890 -3.822 62 HG11 VAL 7 1HG1 VAL 7 -0.290 3.420 -5.506 63 HG12 VAL 7 2HG1 VAL 7 -1.019 1.863 -5.899 64 HG13 VAL 7 3HG1 VAL 7 0.735 2.022 -5.842 65 HG21 VAL 7 3HG2 VAL 7 0.931 3.670 -3.164 66 HG22 VAL 7 1HG2 VAL 7 1.918 2.275 -3.615 67 HG23 VAL 7 2HG2 VAL 7 0.995 2.253 -2.111 68 H ILE 8 H ILE 8 -3.710 3.414 -3.884 69 HA ILE 8 HA ILE 8 -5.063 1.003 -4.914 70 HB ILE 8 HB ILE 8 -6.268 3.688 -4.045 71 HG12 ILE 8 2HG1 ILE 8 -6.277 1.041 -2.527 72 HG13 ILE 8 3HG1 ILE 8 -5.319 2.455 -2.106 73 HG21 ILE 8 1HG2 ILE 8 -8.470 2.603 -4.177 74 HG22 ILE 8 2HG2 ILE 8 -7.720 1.095 -4.710 75 HG23 ILE 8 3HG2 ILE 8 -7.652 2.523 -5.742 76 HD11 ILE 8 3HD1 ILE 8 -7.393 3.710 -1.703 77 HD12 ILE 8 1HD1 ILE 8 -7.235 2.284 -0.679 78 HD13 ILE 8 2HD1 ILE 8 -8.324 2.253 -2.064 79 H SER 9 H SER 9 -5.925 1.080 -6.964 80 HA SER 9 HA SER 9 -6.060 3.563 -8.503 81 HB2 SER 9 2HB SER 9 -3.865 2.498 -9.129 82 HB3 SER 9 3HB SER 9 -4.724 1.029 -9.578 83 HG SER 9 HG SER 9 -4.586 3.492 -10.868 84 H THR 10 H THR 10 -7.522 3.280 -10.339 85 HA THR 10 HA THR 10 -9.696 1.417 -9.873 86 HB THR 10 HB THR 10 -9.338 3.323 -12.234 87 HG1 THR 10 HG1 THR 10 -9.797 3.839 -9.552 88 HG21 THR 10 3HG2 THR 10 -11.245 1.744 -12.479 89 HG22 THR 10 1HG2 THR 10 -11.808 3.402 -12.256 90 HG23 THR 10 2HG2 THR 10 -11.877 2.259 -10.913 91 H ASP 11 H ASP 11 -6.726 1.118 -11.277 92 HA ASP 11 HA ASP 11 -7.489 -1.149 -13.005 93 HB2 ASP 11 2HB ASP 11 -5.476 1.040 -13.704 94 HB3 ASP 11 3HB ASP 11 -5.615 -0.482 -14.576 95 H THR 12 H THR 12 -6.739 -2.788 -11.789 96 HA THR 12 HA THR 12 -4.426 -2.969 -10.210 97 HB THR 12 HB THR 12 -5.746 -5.252 -11.767 98 HG1 THR 12 HG1 THR 12 -6.911 -3.709 -10.068 99 HG21 THR 12 3HG2 THR 12 -4.957 -6.710 -9.944 100 HG22 THR 12 1HG2 THR 12 -4.197 -5.337 -9.137 101 HG23 THR 12 2HG2 THR 12 -3.582 -5.898 -10.694 102 H ASN 13 H ASN 13 -4.864 -3.018 -13.628 103 HA ASN 13 HA ASN 13 -2.495 -4.117 -14.616 104 HB2 ASN 13 2HB ASN 13 -4.097 -1.778 -15.772 105 HB3 ASN 13 3HB ASN 13 -2.932 -2.767 -16.649 106 HD21 ASN 13 1HD2 ASN 13 -4.420 -3.430 -18.176 107 HD22 ASN 13 2HD2 ASN 13 -5.725 -4.514 -17.835 108 H ILE 14 H ILE 14 -3.257 -0.776 -13.570 109 HA ILE 14 HA ILE 14 -0.669 0.305 -14.219 110 HB ILE 14 HB ILE 14 -2.827 1.478 -12.389 111 HG12 ILE 14 2HG1 ILE 14 -3.695 1.104 -14.688 112 HG13 ILE 14 3HG1 ILE 14 -3.581 2.816 -14.323 113 HG21 ILE 14 1HG2 ILE 14 -0.473 2.863 -13.723 114 HG22 ILE 14 2HG2 ILE 14 -0.657 2.543 -11.996 115 HG23 ILE 14 3HG2 ILE 14 -1.749 3.668 -12.807 116 HD11 ILE 14 3HD1 ILE 14 -1.550 2.966 -15.693 117 HD12 ILE 14 1HD1 ILE 14 -2.921 2.336 -16.605 118 HD13 ILE 14 2HD1 ILE 14 -1.662 1.239 -16.042 119 H ILE 15 H ILE 15 -2.275 -0.926 -11.317 120 HA ILE 15 HA ILE 15 -0.287 -0.365 -9.377 121 HB ILE 15 HB ILE 15 -2.447 -2.528 -9.431 122 HG12 ILE 15 2HG1 ILE 15 -2.305 0.179 -8.030 123 HG13 ILE 15 3HG1 ILE 15 -3.308 -0.226 -9.416 124 HG21 ILE 15 1HG2 ILE 15 -2.117 -2.851 -7.008 125 HG22 ILE 15 2HG2 ILE 15 -0.751 -1.735 -7.032 126 HG23 ILE 15 3HG2 ILE 15 -0.649 -3.266 -7.899 127 HD11 ILE 15 3HD1 ILE 15 -3.592 -1.279 -6.611 128 HD12 ILE 15 1HD1 ILE 15 -4.544 -1.824 -7.994 129 HD13 ILE 15 2HD1 ILE 15 -4.652 -0.150 -7.455 130 H SER 16 H SER 16 -0.744 -3.070 -11.607 131 HA SER 16 HA SER 16 1.143 -4.898 -10.560 132 HB2 SER 16 2HB SER 16 -0.587 -5.623 -12.146 133 HB3 SER 16 3HB SER 16 0.063 -4.571 -13.403 134 HG SER 16 HG SER 16 1.811 -5.892 -13.606 135 H SER 17 H SER 17 1.369 -2.457 -13.129 136 HA SER 17 HA SER 17 4.019 -2.935 -13.955 137 HB2 SER 17 2HB SER 17 2.486 -0.307 -14.064 138 HB3 SER 17 3HB SER 17 3.801 -0.813 -15.127 139 HG SER 17 HG SER 17 1.141 -1.392 -15.243 140 H VAL 18 H VAL 18 2.690 -0.568 -11.674 141 HA VAL 18 HA VAL 18 5.165 0.659 -10.925 142 HB VAL 18 HB VAL 18 2.488 0.639 -9.454 143 HG11 VAL 18 1HG1 VAL 18 3.275 2.689 -8.322 144 HG12 VAL 18 2HG1 VAL 18 4.851 2.525 -9.099 145 HG13 VAL 18 3HG1 VAL 18 4.308 1.310 -7.940 146 HG21 VAL 18 3HG2 VAL 18 2.322 1.536 -11.750 147 HG22 VAL 18 1HG2 VAL 18 3.620 2.683 -11.407 148 HG23 VAL 18 2HG2 VAL 18 2.080 2.807 -10.553 149 H GLN 19 H GLN 19 3.331 -2.068 -9.706 150 HA GLN 19 HA GLN 19 4.699 -2.645 -7.305 151 HB2 GLN 19 2HB GLN 19 2.555 -3.680 -7.896 152 HB3 GLN 19 3HB GLN 19 3.263 -4.439 -9.309 153 HG2 GLN 19 2HG GLN 19 4.704 -5.797 -7.749 154 HG3 GLN 19 3HG GLN 19 3.769 -5.136 -6.408 155 HE21 GLN 19 1HE2 GLN 19 1.210 -5.181 -7.913 156 HE22 GLN 19 2HE2 GLN 19 0.747 -6.840 -7.990 157 H GLU 20 H GLU 20 5.202 -3.714 -10.667 158 HA GLU 20 HA GLU 20 7.435 -5.405 -10.237 159 HB2 GLU 20 2HB GLU 20 6.442 -3.956 -12.726 160 HB3 GLU 20 3HB GLU 20 7.788 -5.095 -12.754 161 HG2 GLU 20 2HG GLU 20 6.365 -6.931 -12.109 162 HG3 GLU 20 3HG GLU 20 5.026 -5.849 -11.743 163 H ARG 21 H ARG 21 7.175 -1.932 -10.941 164 HA ARG 21 HA ARG 21 9.945 -1.347 -11.264 165 HB2 ARG 21 2HB ARG 21 7.628 0.413 -10.339 166 HB3 ARG 21 3HB ARG 21 9.245 1.027 -10.666 167 HG2 ARG 21 2HG ARG 21 9.043 0.397 -13.023 168 HG3 ARG 21 3HG ARG 21 7.449 -0.303 -12.719 169 HD2 ARG 21 2HD ARG 21 6.548 1.888 -12.138 170 HD3 ARG 21 3HD ARG 21 8.151 2.622 -12.261 171 HE ARG 21 HE ARG 21 7.583 1.453 -14.724 172 HH11 ARG 21 1HH1 ARG 21 6.282 4.090 -12.771 173 HH12 ARG 21 2HH1 ARG 21 5.731 4.986 -14.150 174 HH21 ARG 21 1HH2 ARG 21 6.876 2.668 -16.513 175 HH22 ARG 21 2HH2 ARG 21 6.065 4.183 -16.263 176 H ALA 22 H ALA 22 7.758 -1.293 -8.493 177 HA ALA 22 HA ALA 22 9.519 -0.102 -6.625 178 HB1 ALA 22 3HB ALA 22 7.066 0.032 -6.482 179 HB2 ALA 22 1HB ALA 22 7.767 -0.603 -4.997 180 HB3 ALA 22 2HB ALA 22 6.984 -1.698 -6.141 181 H LYS 23 H LYS 23 8.593 -3.474 -7.252 182 HA LYS 23 HA LYS 23 10.181 -4.588 -5.152 183 HB2 LYS 23 2HB LYS 23 8.876 -5.910 -7.568 184 HB3 LYS 23 3HB LYS 23 9.668 -6.791 -6.262 185 HG2 LYS 23 2HG LYS 23 8.024 -5.852 -4.643 186 HG3 LYS 23 3HG LYS 23 7.225 -5.003 -5.965 187 HD2 LYS 23 2HD LYS 23 5.946 -7.004 -5.491 188 HD3 LYS 23 3HD LYS 23 6.754 -7.241 -7.042 189 HE2 LYS 23 2HE LYS 23 8.529 -8.564 -5.850 190 HE3 LYS 23 3HE LYS 23 7.599 -8.395 -4.360 191 HZ1 LYS 23 3HZ LYS 23 5.771 -9.575 -5.404 192 HZ2 LYS 23 1HZ LYS 23 7.174 -10.512 -5.437 193 HZ3 LYS 23 2HZ LYS 23 6.648 -9.732 -6.841 194 H HIS 24 H HIS 24 10.775 -3.882 -8.567 195 HA HIS 24 HA HIS 24 13.153 -5.380 -8.920 196 HB2 HIS 24 2HB HIS 24 11.817 -4.495 -10.803 197 HB3 HIS 24 3HB HIS 24 12.188 -2.846 -10.328 198 HD1 HIS 24 HD1 HIS 24 13.701 -5.868 -11.994 199 HD2 HIS 24 HD2 HIS 24 14.664 -1.895 -11.233 200 HE1 HIS 24 HE1 HIS 24 15.722 -5.377 -13.402 201 HE2 HIS 24 HE2 HIS 24 16.174 -2.928 -13.048 202 H ASN 25 H ASN 25 12.548 -2.104 -7.704 203 HA ASN 25 HA ASN 25 15.438 -1.522 -7.522 204 HB2 ASN 25 2HB ASN 25 13.014 0.304 -7.212 205 HB3 ASN 25 3HB ASN 25 14.686 0.840 -7.069 206 HD21 ASN 25 1HD2 ASN 25 12.663 1.736 -8.937 207 HD22 ASN 25 2HD2 ASN 25 13.281 1.433 -10.522 208 H TYR 26 H TYR 26 12.515 -1.374 -5.451 209 HA TYR 26 HA TYR 26 14.192 -0.834 -3.078 210 HB2 TYR 26 2HB TYR 26 11.158 -0.604 -3.181 211 HB3 TYR 26 3HB TYR 26 12.277 0.189 -2.079 212 HD1 TYR 26 HD1 TYR 26 13.830 2.028 -3.041 213 HD2 TYR 26 HD2 TYR 26 10.488 0.463 -5.190 214 HE1 TYR 26 HE1 TYR 26 13.906 3.943 -4.580 215 HE2 TYR 26 HE2 TYR 26 10.563 2.372 -6.715 216 HH TYR 26 HH TYR 26 13.226 4.477 -6.868 217 HA PRO 27 HA PRO 27 13.681 -4.919 -1.488 218 HB2 PRO 27 2HB PRO 27 13.579 -3.877 1.316 219 HB3 PRO 27 3HB PRO 27 14.842 -4.839 0.518 220 HG2 PRO 27 2HG PRO 27 15.256 -2.266 1.124 221 HG3 PRO 27 3HG PRO 27 15.907 -2.967 -0.379 222 HD2 PRO 27 2HD PRO 27 13.399 -1.316 -0.005 223 HD3 PRO 27 3HD PRO 27 14.693 -1.134 -1.216 224 H GLY 28 H GLY 28 12.308 -6.449 -0.501 225 HA2 GLY 28 2HA GLY 28 9.513 -5.955 -0.401 226 HA3 GLY 28 3HA GLY 28 10.331 -7.411 0.144 227 H ARG 29 H ARG 29 11.956 -5.446 1.933 228 HA ARG 29 HA ARG 29 10.527 -5.619 4.355 229 HB2 ARG 29 2HB ARG 29 12.830 -3.772 3.582 230 HB3 ARG 29 3HB ARG 29 12.301 -4.089 5.233 231 HG2 ARG 29 2HG ARG 29 13.024 -6.382 5.120 232 HG3 ARG 29 3HG ARG 29 13.291 -6.277 3.378 233 HD2 ARG 29 2HD ARG 29 15.451 -6.194 4.369 234 HD3 ARG 29 3HD ARG 29 15.088 -4.536 3.880 235 HE ARG 29 HE ARG 29 14.435 -4.198 6.313 236 HH11 ARG 29 1HH1 ARG 29 16.913 -6.538 5.379 237 HH12 ARG 29 2HH1 ARG 29 17.754 -6.431 6.893 238 HH21 ARG 29 1HH2 ARG 29 15.585 -4.048 8.279 239 HH22 ARG 29 2HH2 ARG 29 16.999 -5.019 8.538 240 H TYR 30 H TYR 30 10.407 -3.261 1.781 241 HA TYR 30 HA TYR 30 8.655 -1.491 3.396 242 HB2 TYR 30 2HB TYR 30 10.352 -0.838 0.952 243 HB3 TYR 30 3HB TYR 30 9.181 0.273 1.659 244 HD1 TYR 30 HD1 TYR 30 9.473 0.632 4.310 245 HD2 TYR 30 HD2 TYR 30 12.605 -0.578 1.655 246 HE1 TYR 30 HE1 TYR 30 11.139 1.457 5.910 247 HE2 TYR 30 HE2 TYR 30 14.274 0.242 3.262 248 HH TYR 30 HH TYR 30 13.519 1.049 6.459 249 H ILE 31 H ILE 31 8.882 -3.334 0.368 250 HA ILE 31 HA ILE 31 6.198 -2.370 -0.420 251 HB ILE 31 HB ILE 31 8.391 -3.721 -2.064 252 HG12 ILE 31 2HG1 ILE 31 8.052 -1.708 -3.561 253 HG13 ILE 31 3HG1 ILE 31 6.907 -1.063 -2.393 254 HG21 ILE 31 1HG2 ILE 31 6.838 -3.741 -4.018 255 HG22 ILE 31 2HG2 ILE 31 5.510 -3.274 -2.954 256 HG23 ILE 31 3HG2 ILE 31 6.305 -4.834 -2.737 257 HD11 ILE 31 3HD1 ILE 31 8.698 -0.850 -0.765 258 HD12 ILE 31 1HD1 ILE 31 9.091 -0.004 -2.261 259 HD13 ILE 31 2HD1 ILE 31 9.837 -1.563 -1.911 260 H ARG 32 H ARG 32 4.518 -3.591 -0.094 261 HA ARG 32 HA ARG 32 4.598 -6.508 -0.355 262 HB2 ARG 32 2HB ARG 32 4.682 -6.087 2.073 263 HB3 ARG 32 3HB ARG 32 3.359 -4.933 1.957 264 HG2 ARG 32 2HG ARG 32 2.589 -7.039 2.919 265 HG3 ARG 32 3HG ARG 32 1.802 -6.740 1.372 266 HD2 ARG 32 2HD ARG 32 3.400 -8.338 0.296 267 HD3 ARG 32 3HD ARG 32 4.090 -8.685 1.886 268 HE ARG 32 HE ARG 32 1.631 -9.689 0.780 269 HH11 ARG 32 1HH1 ARG 32 3.217 -8.964 3.848 270 HH12 ARG 32 2HH1 ARG 32 2.245 -10.082 4.734 271 HH21 ARG 32 1HH2 ARG 32 0.409 -11.149 1.968 272 HH22 ARG 32 2HH2 ARG 32 0.668 -11.311 3.676 273 H THR 33 H THR 33 2.512 -7.333 -1.035 274 HA THR 33 HA THR 33 0.602 -5.330 -2.097 275 HB THR 33 HB THR 33 -0.039 -7.184 -3.726 276 HG1 THR 33 HG1 THR 33 0.834 -8.944 -2.536 277 HG21 THR 33 3HG2 THR 33 1.994 -6.955 -5.154 278 HG22 THR 33 1HG2 THR 33 2.845 -6.224 -3.792 279 HG23 THR 33 2HG2 THR 33 1.447 -5.414 -4.502 280 H ALA 34 H ALA 34 -1.490 -5.455 -1.515 281 HA ALA 34 HA ALA 34 -2.473 -7.736 0.091 282 HB1 ALA 34 3HB ALA 34 -3.560 -4.900 -0.025 283 HB2 ALA 34 1HB ALA 34 -2.613 -5.592 1.293 284 HB3 ALA 34 2HB ALA 34 -4.223 -6.220 0.942 285 H THR 35 H THR 35 -3.209 -9.126 -1.415 286 HA THR 35 HA THR 35 -5.161 -8.213 -3.447 287 HB THR 35 HB THR 35 -3.287 -9.523 -4.365 288 HG1 THR 35 HG1 THR 35 -5.596 -9.807 -5.061 289 HG21 THR 35 3HG2 THR 35 -4.220 -11.828 -2.606 290 HG22 THR 35 1HG2 THR 35 -2.723 -10.909 -2.378 291 HG23 THR 35 2HG2 THR 35 -2.943 -11.897 -3.821 292 H SER 36 H SER 36 -4.915 -9.623 -0.384 293 HA SER 36 HA SER 36 -7.745 -10.362 -0.292 294 HB2 SER 36 2HB SER 36 -5.472 -12.273 0.437 295 HB3 SER 36 3HB SER 36 -7.178 -12.567 0.790 296 HG SER 36 HG SER 36 -7.214 -12.066 -1.706 297 H SER 37 H SER 37 -8.437 -10.784 1.974 298 HA SER 37 HA SER 37 -7.455 -8.900 3.856 299 HB2 SER 37 2HB SER 37 -9.078 -9.984 5.426 300 HB3 SER 37 3HB SER 37 -9.798 -9.588 3.868 301 HG SER 37 HG SER 37 -10.192 -11.761 4.811 302 H GLN 38 H GLN 38 -6.693 -12.260 3.227 303 HA GLN 38 HA GLN 38 -5.325 -13.027 5.540 304 HB2 GLN 38 2HB GLN 38 -4.706 -13.737 2.631 305 HB3 GLN 38 3HB GLN 38 -3.918 -14.504 4.003 306 HG2 GLN 38 2HG GLN 38 -5.603 -16.010 3.287 307 HG3 GLN 38 3HG GLN 38 -6.209 -15.276 4.768 308 HE21 GLN 38 1HE2 GLN 38 -7.975 -13.828 4.619 309 HE22 GLN 38 2HE2 GLN 38 -8.975 -13.747 3.212 310 H ASP 39 H ASP 39 -4.148 -11.255 2.671 311 HA ASP 39 HA ASP 39 -1.520 -10.723 3.539 312 HB2 ASP 39 2HB ASP 39 -3.286 -9.014 1.716 313 HB3 ASP 39 3HB ASP 39 -1.539 -8.848 1.891 314 H ILE 40 H ILE 40 -4.502 -8.767 3.742 315 HA ILE 40 HA ILE 40 -3.470 -6.378 4.716 316 HB ILE 40 HB ILE 40 -6.211 -7.659 5.099 317 HG12 ILE 40 2HG1 ILE 40 -5.321 -5.427 3.208 318 HG13 ILE 40 3HG1 ILE 40 -5.482 -7.119 2.751 319 HG21 ILE 40 1HG2 ILE 40 -7.108 -5.439 5.717 320 HG22 ILE 40 2HG2 ILE 40 -5.473 -4.782 5.745 321 HG23 ILE 40 3HG2 ILE 40 -5.941 -6.023 6.907 322 HD11 ILE 40 3HD1 ILE 40 -7.376 -5.872 1.991 323 HD12 ILE 40 1HD1 ILE 40 -7.707 -5.284 3.620 324 HD13 ILE 40 2HD1 ILE 40 -7.888 -6.999 3.245 325 H ARG 41 H ARG 41 -5.074 -8.928 6.649 326 HA ARG 41 HA ARG 41 -4.684 -8.027 9.213 327 HB2 ARG 41 2HB ARG 41 -4.576 -10.932 8.268 328 HB3 ARG 41 3HB ARG 41 -4.852 -10.424 9.932 329 HG2 ARG 41 2HG ARG 41 -6.687 -9.788 7.598 330 HG3 ARG 41 3HG ARG 41 -6.925 -11.118 8.731 331 HD2 ARG 41 2HD ARG 41 -6.835 -8.188 9.513 332 HD3 ARG 41 3HD ARG 41 -8.315 -9.103 9.214 333 HE ARG 41 HE ARG 41 -7.296 -10.643 11.049 334 HH11 ARG 41 1HH1 ARG 41 -7.209 -7.109 11.097 335 HH12 ARG 41 2HH1 ARG 41 -7.200 -7.036 12.833 336 HH21 ARG 41 1HH2 ARG 41 -7.290 -10.513 13.295 337 HH22 ARG 41 2HH2 ARG 41 -7.245 -8.962 14.068 338 H ASP 42 H ASP 42 -2.522 -10.105 7.319 339 HA ASP 42 HA ASP 42 -0.479 -10.556 9.189 340 HB2 ASP 42 2HB ASP 42 -0.837 -11.879 7.105 341 HB3 ASP 42 3HB ASP 42 -0.334 -10.506 6.137 342 H ILE 43 H ILE 43 -0.963 -7.970 6.823 343 HA ILE 43 HA ILE 43 1.627 -6.790 6.887 344 HB ILE 43 HB ILE 43 -1.124 -5.788 6.020 345 HG12 ILE 43 2HG1 ILE 43 1.306 -6.454 4.291 346 HG13 ILE 43 3HG1 ILE 43 0.041 -7.614 4.671 347 HG21 ILE 43 1HG2 ILE 43 -0.070 -3.841 4.944 348 HG22 ILE 43 2HG2 ILE 43 1.482 -4.287 5.646 349 HG23 ILE 43 3HG2 ILE 43 0.154 -3.802 6.697 350 HD11 ILE 43 3HD1 ILE 43 -0.306 -6.701 2.479 351 HD12 ILE 43 1HD1 ILE 43 -0.292 -5.055 3.114 352 HD13 ILE 43 2HD1 ILE 43 -1.598 -6.160 3.548 353 H ILE 44 H ILE 44 -1.435 -6.044 8.499 354 HA ILE 44 HA ILE 44 -0.422 -3.739 9.869 355 HB ILE 44 HB ILE 44 -3.082 -5.227 10.052 356 HG12 ILE 44 2HG1 ILE 44 -2.221 -2.614 8.708 357 HG13 ILE 44 3HG1 ILE 44 -2.618 -4.119 7.888 358 HG21 ILE 44 1HG2 ILE 44 -2.695 -4.086 12.216 359 HG22 ILE 44 2HG2 ILE 44 -3.981 -3.295 11.307 360 HG23 ILE 44 3HG2 ILE 44 -2.373 -2.572 11.366 361 HD11 ILE 44 3HD1 ILE 44 -4.934 -3.884 8.602 362 HD12 ILE 44 1HD1 ILE 44 -4.377 -2.501 7.667 363 HD13 ILE 44 2HD1 ILE 44 -4.531 -2.371 9.417 364 H LYS 45 H LYS 45 -0.815 -7.183 10.704 365 HA LYS 45 HA LYS 45 -0.306 -7.203 13.444 366 HB2 LYS 45 2HB LYS 45 0.734 -9.110 11.314 367 HB3 LYS 45 3HB LYS 45 0.975 -9.390 13.036 368 HG2 LYS 45 2HG LYS 45 -1.383 -9.629 13.408 369 HG3 LYS 45 3HG LYS 45 -1.754 -9.109 11.763 370 HD2 LYS 45 2HD LYS 45 -0.467 -11.150 10.939 371 HD3 LYS 45 3HD LYS 45 -0.385 -11.689 12.620 372 HE2 LYS 45 2HE LYS 45 -2.835 -11.781 12.726 373 HE3 LYS 45 3HE LYS 45 -2.946 -11.166 11.074 374 HZ1 LYS 45 3HZ LYS 45 -1.840 -13.152 10.282 375 HZ2 LYS 45 1HZ LYS 45 -3.213 -13.567 11.173 376 HZ3 LYS 45 2HZ LYS 45 -1.679 -13.737 11.858 377 H SER 46 H SER 46 1.971 -6.980 10.768 378 HA SER 46 HA SER 46 4.277 -6.901 12.489 379 HB2 SER 46 2HB SER 46 5.548 -6.763 10.336 380 HB3 SER 46 3HB SER 46 4.405 -8.103 10.356 381 HG SER 46 HG SER 46 3.575 -5.642 9.310 382 H MET 47 H MET 47 2.215 -4.550 10.910 383 HA MET 47 HA MET 47 4.105 -2.358 11.187 384 HB2 MET 47 2HB MET 47 1.155 -2.412 10.439 385 HB3 MET 47 3HB MET 47 2.101 -0.929 10.535 386 HG2 MET 47 2HG MET 47 2.574 -3.250 8.653 387 HG3 MET 47 3HG MET 47 1.965 -1.651 8.230 388 HE1 MET 47 3HE MET 47 3.462 0.580 8.405 389 HE2 MET 47 1HE MET 47 5.170 0.578 8.845 390 HE3 MET 47 2HE MET 47 3.948 0.220 10.062 391 H LYS 48 H LYS 48 1.775 -3.882 13.246 392 HA LYS 48 HA LYS 48 1.645 -1.767 15.214 393 HB2 LYS 48 2HB LYS 48 1.055 -4.755 15.483 394 HB3 LYS 48 3HB LYS 48 0.693 -3.538 16.711 395 HG2 LYS 48 2HG LYS 48 -0.820 -2.393 15.123 396 HG3 LYS 48 3HG LYS 48 -0.449 -3.618 13.907 397 HD2 LYS 48 2HD LYS 48 -1.818 -4.192 16.570 398 HD3 LYS 48 3HD LYS 48 -2.667 -3.947 15.042 399 HE2 LYS 48 2HE LYS 48 -1.355 -5.896 14.109 400 HE3 LYS 48 3HE LYS 48 -0.756 -6.199 15.739 401 HZ1 LYS 48 3HZ LYS 48 -3.613 -6.211 14.912 402 HZ2 LYS 48 1HZ LYS 48 -3.036 -6.533 16.465 403 HZ3 LYS 48 2HZ LYS 48 -2.668 -7.586 15.197 404 H ASP 49 H ASP 49 3.754 -4.477 14.534 405 HA ASP 49 HA ASP 49 5.341 -4.222 16.949 406 HB2 ASP 49 2HB ASP 49 5.070 -6.427 15.867 407 HB3 ASP 49 3HB ASP 49 5.797 -5.826 14.382 408 H ASN 50 H ASN 50 5.479 -3.101 13.608 409 HA ASN 50 HA ASN 50 8.270 -2.197 13.838 410 HB2 ASN 50 2HB ASN 50 6.392 -2.476 11.461 411 HB3 ASN 50 3HB ASN 50 7.947 -1.669 11.344 412 HD21 ASN 50 1HD2 ASN 50 7.379 -4.613 13.281 413 HD22 ASN 50 2HD2 ASN 50 8.338 -5.640 12.282 414 H GLY 51 H GLY 51 8.835 -0.115 13.995 415 HA2 GLY 51 2HA GLY 51 6.828 2.031 13.955 416 HA3 GLY 51 3HA GLY 51 8.499 2.157 14.482 417 H LYS 52 H LYS 52 8.418 0.494 11.597 418 HA LYS 52 HA LYS 52 9.676 2.611 10.113 419 HB2 LYS 52 2HB LYS 52 10.038 0.934 8.392 420 HB3 LYS 52 3HB LYS 52 10.367 0.189 9.950 421 HG2 LYS 52 2HG LYS 52 8.415 -1.152 9.865 422 HG3 LYS 52 3HG LYS 52 7.648 -0.129 8.655 423 HD2 LYS 52 2HD LYS 52 8.375 -2.293 7.701 424 HD3 LYS 52 3HD LYS 52 9.182 -0.923 6.934 425 HE2 LYS 52 2HE LYS 52 11.164 -1.357 8.433 426 HE3 LYS 52 3HE LYS 52 10.347 -2.822 8.990 427 HZ1 LYS 52 3HZ LYS 52 11.025 -2.245 6.164 428 HZ2 LYS 52 1HZ LYS 52 10.364 -3.672 6.770 429 HZ3 LYS 52 2HZ LYS 52 11.937 -3.228 7.188 430 HA PRO 53 HA PRO 53 5.995 3.295 7.336 431 HB2 PRO 53 2HB PRO 53 7.123 4.166 5.062 432 HB3 PRO 53 3HB PRO 53 7.216 5.163 6.536 433 HG2 PRO 53 2HG PRO 53 9.279 3.275 5.419 434 HG3 PRO 53 3HG PRO 53 9.472 4.964 5.935 435 HD2 PRO 53 2HD PRO 53 10.095 2.878 7.570 436 HD3 PRO 53 3HD PRO 53 9.484 4.426 8.199 437 H LEU 54 H LEU 54 5.142 2.417 5.251 438 HA LEU 54 HA LEU 54 6.452 0.086 4.088 439 HB2 LEU 54 2HB LEU 54 5.032 -0.564 6.238 440 HB3 LEU 54 3HB LEU 54 3.642 -0.279 5.205 441 HG LEU 54 HG LEU 54 4.642 -2.013 3.591 442 HD11 LEU 54 1HD1 LEU 54 6.428 -2.629 5.962 443 HD12 LEU 54 2HD1 LEU 54 6.943 -1.999 4.395 444 HD13 LEU 54 3HD1 LEU 54 6.255 -3.616 4.508 445 HD21 LEU 54 3HD2 LEU 54 3.787 -3.923 4.836 446 HD22 LEU 54 1HD2 LEU 54 2.738 -2.524 5.052 447 HD23 LEU 54 2HD2 LEU 54 3.844 -3.003 6.342 448 H VAL 55 H VAL 55 4.964 -0.766 2.272 449 HA VAL 55 HA VAL 55 3.307 1.324 1.026 450 HB VAL 55 HB VAL 55 5.676 0.033 -0.448 451 HG11 VAL 55 1HG1 VAL 55 5.030 1.467 -2.350 452 HG12 VAL 55 2HG1 VAL 55 3.634 2.057 -1.446 453 HG13 VAL 55 3HG1 VAL 55 3.730 0.357 -1.913 454 HG21 VAL 55 3HG2 VAL 55 6.479 1.807 1.068 455 HG22 VAL 55 1HG2 VAL 55 5.334 2.954 0.364 456 HG23 VAL 55 2HG2 VAL 55 6.650 2.299 -0.618 457 H VAL 56 H VAL 56 1.480 0.156 0.925 458 HA VAL 56 HA VAL 56 1.555 -2.675 0.086 459 HB VAL 56 HB VAL 56 -0.478 -1.143 1.762 460 HG11 VAL 56 1HG1 VAL 56 -0.724 -4.006 0.752 461 HG12 VAL 56 2HG1 VAL 56 -1.748 -2.645 0.287 462 HG13 VAL 56 3HG1 VAL 56 -1.778 -3.242 1.946 463 HG21 VAL 56 3HG2 VAL 56 1.558 -1.889 2.936 464 HG22 VAL 56 1HG2 VAL 56 1.286 -3.547 2.388 465 HG23 VAL 56 2HG2 VAL 56 0.147 -2.783 3.501 466 H PHE 57 H PHE 57 1.217 -2.900 -2.001 467 HA PHE 57 HA PHE 57 -0.469 -1.156 -3.600 468 HB2 PHE 57 2HB PHE 57 1.117 -3.682 -4.233 469 HB3 PHE 57 3HB PHE 57 0.167 -2.820 -5.433 470 HD1 PHE 57 HD1 PHE 57 0.862 -0.600 -6.224 471 HD2 PHE 57 HD2 PHE 57 3.271 -2.794 -3.453 472 HE1 PHE 57 HE1 PHE 57 2.747 0.892 -6.672 473 HE2 PHE 57 HE2 PHE 57 5.161 -1.284 -3.915 474 HZ PHE 57 HZ PHE 57 4.897 0.565 -5.520 475 H VAL 58 H VAL 58 -2.611 -1.444 -3.638 476 HA VAL 58 HA VAL 58 -3.941 -3.793 -2.626 477 HB VAL 58 HB VAL 58 -5.087 -1.335 -4.054 478 HG11 VAL 58 1HG1 VAL 58 -6.680 -3.231 -4.081 479 HG12 VAL 58 2HG1 VAL 58 -7.258 -1.912 -3.065 480 HG13 VAL 58 3HG1 VAL 58 -6.563 -3.356 -2.324 481 HG21 VAL 58 3HG2 VAL 58 -4.805 -1.871 -1.076 482 HG22 VAL 58 1HG2 VAL 58 -5.611 -0.478 -1.798 483 HG23 VAL 58 2HG2 VAL 58 -3.876 -0.702 -2.018 484 H ASN 59 H ASN 59 -3.067 -5.392 -4.048 485 HA ASN 59 HA ASN 59 -3.340 -5.206 -6.902 486 HB2 ASN 59 2HB ASN 59 -1.386 -6.286 -5.793 487 HB3 ASN 59 3HB ASN 59 -2.440 -7.542 -5.153 488 HD21 ASN 59 1HD2 ASN 59 -3.258 -9.121 -6.583 489 HD22 ASN 59 2HD2 ASN 59 -2.581 -9.368 -8.154 490 H GLY 60 H GLY 60 -5.643 -4.964 -7.075 491 HA2 GLY 60 2HA GLY 60 -7.597 -5.842 -7.903 492 HA3 GLY 60 3HA GLY 60 -6.901 -7.446 -7.742 493 H ALA 61 H ALA 61 -7.164 -5.292 -4.982 494 HA ALA 61 HA ALA 61 -9.103 -7.139 -3.740 495 HB1 ALA 61 3HB ALA 61 -7.433 -4.966 -2.425 496 HB2 ALA 61 1HB ALA 61 -7.002 -6.675 -2.501 497 HB3 ALA 61 2HB ALA 61 -8.429 -6.163 -1.598 498 H SER 62 H SER 62 -11.099 -6.448 -3.004 499 HA SER 62 HA SER 62 -12.332 -4.292 -4.473 500 HB2 SER 62 2HB SER 62 -13.501 -6.171 -2.365 501 HB3 SER 62 3HB SER 62 -14.426 -5.181 -3.499 502 HG SER 62 HG SER 62 -12.672 -6.625 -4.893 503 H GLN 63 H GLN 63 -13.788 -2.724 -3.411 504 HA GLN 63 HA GLN 63 -12.399 -1.056 -1.619 505 HB2 GLN 63 2HB GLN 63 -14.002 -0.214 -3.335 506 HB3 GLN 63 3HB GLN 63 -15.339 -0.909 -2.431 507 HG2 GLN 63 2HG GLN 63 -15.162 1.530 -2.076 508 HG3 GLN 63 3HG GLN 63 -14.933 0.642 -0.570 509 HE21 GLN 63 1HE2 GLN 63 -13.802 2.312 0.420 510 HE22 GLN 63 2HE2 GLN 63 -12.209 2.769 -0.051 511 H ASN 64 H ASN 64 -14.826 -3.522 -1.076 512 HA ASN 64 HA ASN 64 -15.623 -3.012 1.562 513 HB2 ASN 64 2HB ASN 64 -15.165 -5.701 0.179 514 HB3 ASN 64 3HB ASN 64 -15.992 -5.510 1.721 515 HD21 ASN 64 1HD2 ASN 64 -17.907 -6.358 0.994 516 HD22 ASN 64 2HD2 ASN 64 -18.926 -5.578 -0.161 517 H ASP 65 H ASP 65 -12.772 -4.710 0.323 518 HA ASP 65 HA ASP 65 -11.787 -5.305 3.006 519 HB2 ASP 65 2HB ASP 65 -9.755 -6.185 1.274 520 HB3 ASP 65 3HB ASP 65 -10.982 -7.170 2.020 521 H VAL 66 H VAL 66 -11.162 -2.995 0.467 522 HA VAL 66 HA VAL 66 -8.801 -1.808 1.484 523 HB VAL 66 HB VAL 66 -11.171 -0.588 -0.021 524 HG11 VAL 66 1HG1 VAL 66 -8.534 0.777 0.637 525 HG12 VAL 66 2HG1 VAL 66 -10.128 1.227 1.246 526 HG13 VAL 66 3HG1 VAL 66 -9.761 1.403 -0.470 527 HG21 VAL 66 3HG2 VAL 66 -9.637 -0.598 -1.967 528 HG22 VAL 66 1HG2 VAL 66 -9.857 -2.223 -1.310 529 HG23 VAL 66 2HG2 VAL 66 -8.375 -1.328 -0.970 530 H ASN 67 H ASN 67 -12.250 -1.281 2.183 531 HA ASN 67 HA ASN 67 -11.943 0.687 4.195 532 HB2 ASN 67 2HB ASN 67 -14.258 -1.217 3.610 533 HB3 ASN 67 3HB ASN 67 -14.336 0.054 4.831 534 HD21 ASN 67 1HD2 ASN 67 -15.894 -0.317 2.362 535 HD22 ASN 67 2HD2 ASN 67 -15.702 1.146 1.468 536 H GLU 68 H GLU 68 -12.110 -2.856 4.286 537 HA GLU 68 HA GLU 68 -12.150 -3.276 7.065 538 HB2 GLU 68 2HB GLU 68 -11.063 -4.973 4.784 539 HB3 GLU 68 3HB GLU 68 -10.958 -5.511 6.459 540 HG2 GLU 68 2HG GLU 68 -13.374 -5.509 6.680 541 HG3 GLU 68 3HG GLU 68 -13.560 -4.803 5.073 542 H PHE 69 H PHE 69 -9.367 -2.998 4.841 543 HA PHE 69 HA PHE 69 -7.230 -3.253 6.587 544 HB2 PHE 69 2HB PHE 69 -6.866 -3.105 4.167 545 HB3 PHE 69 3HB PHE 69 -7.523 -1.479 4.107 546 HD1 PHE 69 HD2 PHE 69 -6.172 0.455 4.907 547 HD2 PHE 69 HD1 PHE 69 -4.544 -3.505 4.877 548 HE1 PHE 69 HE2 PHE 69 -3.917 1.380 5.201 549 HE2 PHE 69 HE1 PHE 69 -2.288 -2.566 5.167 550 HZ PHE 69 HZ PHE 69 -1.982 -0.130 5.334 551 H GLN 70 H GLN 70 -8.891 -0.285 5.601 552 HA GLN 70 HA GLN 70 -7.532 1.551 7.189 553 HB2 GLN 70 2HB GLN 70 -10.368 1.662 6.081 554 HB3 GLN 70 3HB GLN 70 -9.485 3.052 6.711 555 HG2 GLN 70 2HG GLN 70 -7.812 2.844 4.934 556 HG3 GLN 70 3HG GLN 70 -8.595 1.380 4.339 557 HE21 GLN 70 1HE2 GLN 70 -10.568 1.576 3.188 558 HE22 GLN 70 2HE2 GLN 70 -11.105 3.085 2.548 559 H ASN 71 H ASN 71 -10.477 -0.303 7.908 560 HA ASN 71 HA ASN 71 -11.200 0.977 10.325 561 HB2 ASN 71 2HB ASN 71 -11.885 -1.809 9.284 562 HB3 ASN 71 3HB ASN 71 -12.555 -1.159 10.778 563 HD21 ASN 71 1HD2 ASN 71 -13.858 -1.951 8.263 564 HD22 ASN 71 2HD2 ASN 71 -14.768 -0.571 7.756 565 H GLU 72 H GLU 72 -9.589 -2.249 9.939 566 HA GLU 72 HA GLU 72 -9.077 -2.597 12.677 567 HB2 GLU 72 2HB GLU 72 -7.546 -4.415 11.979 568 HB3 GLU 72 3HB GLU 72 -9.096 -4.480 11.142 569 HG2 GLU 72 2HG GLU 72 -8.023 -3.394 9.158 570 HG3 GLU 72 3HG GLU 72 -6.480 -3.468 10.002 571 H ALA 73 H ALA 73 -7.171 -0.953 10.158 572 HA ALA 73 HA ALA 73 -4.791 -0.595 11.650 573 HB1 ALA 73 3HB ALA 73 -4.247 1.176 10.027 574 HB2 ALA 73 1HB ALA 73 -5.918 1.158 9.436 575 HB3 ALA 73 2HB ALA 73 -4.886 -0.255 9.216 576 H LYS 74 H LYS 74 -7.569 1.647 11.164 577 HA LYS 74 HA LYS 74 -6.532 3.741 12.752 578 HB2 LYS 74 2HB LYS 74 -8.646 4.865 12.513 579 HB3 LYS 74 3HB LYS 74 -8.330 4.022 11.003 580 HG2 LYS 74 2HG LYS 74 -9.918 2.223 11.706 581 HG3 LYS 74 3HG LYS 74 -10.251 3.126 13.182 582 HD2 LYS 74 2HD LYS 74 -12.049 3.521 11.587 583 HD3 LYS 74 3HD LYS 74 -11.137 5.016 11.802 584 HE2 LYS 74 2HE LYS 74 -9.963 4.617 9.680 585 HE3 LYS 74 3HE LYS 74 -10.810 3.083 9.482 586 HZ1 LYS 74 3HZ LYS 74 -12.889 4.277 9.313 587 HZ2 LYS 74 1HZ LYS 74 -11.798 4.848 8.158 588 HZ3 LYS 74 2HZ LYS 74 -12.108 5.758 9.550 589 H LYS 75 H LYS 75 -8.492 0.933 13.669 590 HA LYS 75 HA LYS 75 -9.042 1.983 16.344 591 HB2 LYS 75 2HB LYS 75 -10.321 -0.012 16.754 592 HB3 LYS 75 3HB LYS 75 -10.716 0.562 15.138 593 HG2 LYS 75 2HG LYS 75 -9.247 -1.190 14.169 594 HG3 LYS 75 3HG LYS 75 -8.868 -1.756 15.797 595 HD2 LYS 75 2HD LYS 75 -10.584 -3.191 14.779 596 HD3 LYS 75 3HD LYS 75 -11.251 -2.328 16.166 597 HE2 LYS 75 2HE LYS 75 -12.316 -0.703 14.631 598 HE3 LYS 75 3HE LYS 75 -11.641 -1.573 13.249 599 HZ1 LYS 75 3HZ LYS 75 -12.932 -3.508 13.859 600 HZ2 LYS 75 1HZ LYS 75 -13.955 -2.175 13.681 601 HZ3 LYS 75 2HZ LYS 75 -13.546 -2.729 15.223 602 H GLU 76 H GLU 76 -6.570 0.041 14.854 603 HA GLU 76 HA GLU 76 -5.449 -0.724 17.489 604 HB2 GLU 76 2HB GLU 76 -4.684 -1.686 14.696 605 HB3 GLU 76 3HB GLU 76 -3.962 -2.244 16.206 606 HG2 GLU 76 2HG GLU 76 -6.254 -3.045 16.905 607 HG3 GLU 76 3HG GLU 76 -6.821 -2.657 15.287 608 H GLY 77 H GLY 77 -5.310 1.949 15.728 609 HA2 GLY 77 2HA GLY 77 -3.924 3.772 15.872 610 HA3 GLY 77 3HA GLY 77 -3.043 2.917 17.124 611 H VAL 78 H VAL 78 -3.435 1.824 13.818 612 HA VAL 78 HA VAL 78 -0.550 2.112 13.249 613 HB VAL 78 HB VAL 78 -2.699 0.537 11.731 614 HG11 VAL 78 1HG1 VAL 78 -0.837 -0.547 10.534 615 HG12 VAL 78 2HG1 VAL 78 0.325 0.476 11.383 616 HG13 VAL 78 3HG1 VAL 78 -0.832 1.198 10.262 617 HG21 VAL 78 3HG2 VAL 78 -0.585 -0.499 13.650 618 HG22 VAL 78 1HG2 VAL 78 -1.716 -1.487 12.720 619 HG23 VAL 78 2HG2 VAL 78 -2.319 -0.401 13.971 620 H SER 79 H SER 79 0.073 3.726 11.847 621 HA SER 79 HA SER 79 -1.955 5.565 10.857 622 HB2 SER 79 2HB SER 79 1.086 5.716 10.623 623 HB3 SER 79 3HB SER 79 -0.054 7.028 10.318 624 HG SER 79 HG SER 79 -0.679 6.367 12.678 625 H TYR 80 H TYR 80 -2.205 6.103 8.625 626 HA TYR 80 HA TYR 80 -0.753 4.760 6.535 627 HB2 TYR 80 2HB TYR 80 -2.701 3.559 5.554 628 HB3 TYR 80 3HB TYR 80 -2.325 2.940 7.156 629 HD1 TYR 80 HD1 TYR 80 -3.838 3.536 9.117 630 HD2 TYR 80 HD2 TYR 80 -4.884 4.556 5.096 631 HE1 TYR 80 HE1 TYR 80 -6.163 3.900 9.811 632 HE2 TYR 80 HE2 TYR 80 -7.210 4.914 5.802 633 HH TYR 80 HH TYR 80 -8.120 5.121 9.065 634 H ASP 81 H ASP 81 -1.020 5.775 4.556 635 HA ASP 81 HA ASP 81 -2.969 7.991 4.299 636 HB2 ASP 81 2HB ASP 81 -0.093 7.766 3.346 637 HB3 ASP 81 3HB ASP 81 -1.217 8.753 2.421 638 H VAL 82 H VAL 82 -4.476 7.634 2.851 639 HA VAL 82 HA VAL 82 -4.381 5.345 1.060 640 HB VAL 82 HB VAL 82 -6.658 7.310 1.651 641 HG11 VAL 82 1HG1 VAL 82 -6.763 4.664 0.153 642 HG12 VAL 82 2HG1 VAL 82 -6.923 6.266 -0.569 643 HG13 VAL 82 3HG1 VAL 82 -8.151 5.682 0.556 644 HG21 VAL 82 3HG2 VAL 82 -7.624 5.502 3.038 645 HG22 VAL 82 1HG2 VAL 82 -6.034 5.983 3.640 646 HG23 VAL 82 2HG2 VAL 82 -6.213 4.489 2.717 647 H LEU 83 H LEU 83 -3.373 5.676 -0.782 648 HA LEU 83 HA LEU 83 -3.595 8.203 -2.311 649 HB2 LEU 83 2HB LEU 83 -1.298 7.413 -1.837 650 HB3 LEU 83 3HB LEU 83 -1.673 5.836 -2.512 651 HG LEU 83 HG LEU 83 -2.001 6.965 -4.768 652 HD11 LEU 83 1HD1 LEU 83 -2.430 9.248 -4.038 653 HD12 LEU 83 2HD1 LEU 83 -1.065 9.186 -5.151 654 HD13 LEU 83 3HD1 LEU 83 -0.780 9.384 -3.419 655 HD21 LEU 83 3HD2 LEU 83 0.764 7.188 -3.535 656 HD22 LEU 83 1HD2 LEU 83 0.400 7.148 -5.264 657 HD23 LEU 83 2HD2 LEU 83 0.051 5.744 -4.258 658 H LYS 84 H LYS 84 -5.192 8.129 -3.857 659 HA LYS 84 HA LYS 84 -5.784 5.561 -5.245 660 HB2 LYS 84 2HB LYS 84 -7.771 7.786 -4.563 661 HB3 LYS 84 3HB LYS 84 -8.142 6.319 -5.469 662 HG2 LYS 84 2HG LYS 84 -7.572 4.969 -3.446 663 HG3 LYS 84 3HG LYS 84 -7.302 6.464 -2.552 664 HD2 LYS 84 2HD LYS 84 -9.931 5.533 -3.766 665 HD3 LYS 84 3HD LYS 84 -9.512 5.532 -2.052 666 HE2 LYS 84 2HE LYS 84 -9.901 7.959 -3.829 667 HE3 LYS 84 3HE LYS 84 -10.945 7.426 -2.514 668 HZ1 LYS 84 3HZ LYS 84 -9.132 7.862 -0.962 669 HZ2 LYS 84 1HZ LYS 84 -9.560 9.258 -1.819 670 HZ3 LYS 84 2HZ LYS 84 -8.153 8.415 -2.228 671 H SER 85 H SER 85 -4.634 5.854 -7.067 672 HA SER 85 HA SER 85 -5.265 8.127 -8.837 673 HB2 SER 85 2HB SER 85 -2.392 7.352 -8.151 674 HB3 SER 85 3HB SER 85 -2.885 8.602 -9.291 675 HG SER 85 HG SER 85 -2.313 9.474 -7.274 676 H THR 86 H THR 86 -5.272 7.600 -10.960 677 HA THR 86 HA THR 86 -4.207 4.984 -11.859 678 HB THR 86 HB THR 86 -5.680 5.674 -13.988 679 HG1 THR 86 HG1 THR 86 -6.813 7.414 -13.658 680 HG21 THR 86 3HG2 THR 86 -7.642 4.478 -13.102 681 HG22 THR 86 1HG2 THR 86 -7.006 4.632 -11.461 682 HG23 THR 86 2HG2 THR 86 -6.143 3.661 -12.656 683 H ASP 87 H ASP 87 -2.077 5.796 -11.931 684 HA ASP 87 HA ASP 87 -1.285 7.299 -14.215 685 HB2 ASP 87 2HB ASP 87 -2.100 9.117 -12.544 686 HB3 ASP 87 3HB ASP 87 -0.718 8.685 -11.546 687 HA PRO 88 HA PRO 88 1.575 4.035 -12.866 688 HB2 PRO 88 2HB PRO 88 3.203 4.050 -15.119 689 HB3 PRO 88 3HB PRO 88 1.618 3.254 -15.036 690 HG2 PRO 88 2HG PRO 88 2.300 5.963 -16.141 691 HG3 PRO 88 3HG PRO 88 1.269 4.692 -16.839 692 HD2 PRO 88 2HD PRO 88 0.186 6.795 -15.578 693 HD3 PRO 88 3HD PRO 88 -0.524 5.172 -15.409 694 H GLU 89 H GLU 89 2.742 7.216 -13.945 695 HA GLU 89 HA GLU 89 5.455 6.684 -12.959 696 HB2 GLU 89 2HB GLU 89 6.059 8.878 -13.862 697 HB3 GLU 89 3HB GLU 89 5.231 7.906 -15.073 698 HG2 GLU 89 2HG GLU 89 3.181 9.192 -14.761 699 HG3 GLU 89 3HG GLU 89 3.938 10.113 -13.461 700 H GLU 90 H GLU 90 2.558 8.472 -12.036 701 HA GLU 90 HA GLU 90 3.737 9.900 -9.853 702 HB2 GLU 90 2HB GLU 90 1.652 10.710 -10.839 703 HB3 GLU 90 3HB GLU 90 0.811 9.232 -10.367 704 HG2 GLU 90 2HG GLU 90 1.178 9.785 -7.980 705 HG3 GLU 90 3HG GLU 90 2.035 11.250 -8.451 706 H LEU 91 H LEU 91 1.887 6.844 -10.076 707 HA LEU 91 HA LEU 91 1.723 6.308 -7.302 708 HB2 LEU 91 2HB LEU 91 1.746 4.388 -9.661 709 HB3 LEU 91 3HB LEU 91 1.475 3.859 -8.008 710 HG LEU 91 HG LEU 91 -0.333 5.740 -9.585 711 HD11 LEU 91 1HD1 LEU 91 -0.794 2.863 -8.727 712 HD12 LEU 91 2HD1 LEU 91 -0.463 3.419 -10.370 713 HD13 LEU 91 3HD1 LEU 91 -1.953 3.903 -9.566 714 HD21 LEU 91 3HD2 LEU 91 -1.890 5.578 -7.696 715 HD22 LEU 91 1HD2 LEU 91 -0.366 6.309 -7.201 716 HD23 LEU 91 2HD2 LEU 91 -0.713 4.630 -6.787 717 H THR 92 H THR 92 4.257 5.699 -9.664 718 HA THR 92 HA THR 92 6.024 4.169 -8.042 719 HB THR 92 HB THR 92 6.612 5.899 -10.492 720 HG1 THR 92 HG1 THR 92 5.067 3.939 -10.501 721 HG21 THR 92 3HG2 THR 92 8.599 4.451 -10.808 722 HG22 THR 92 1HG2 THR 92 8.246 3.632 -9.286 723 HG23 THR 92 2HG2 THR 92 8.698 5.338 -9.286 724 H GLN 93 H GLN 93 5.776 7.679 -8.747 725 HA GLN 93 HA GLN 93 8.225 8.375 -7.460 726 HB2 GLN 93 2HB GLN 93 7.762 10.629 -7.963 727 HB3 GLN 93 3HB GLN 93 7.001 9.745 -9.277 728 HG2 GLN 93 2HG GLN 93 4.804 10.059 -8.243 729 HG3 GLN 93 3HG GLN 93 5.541 10.865 -6.866 730 HE21 GLN 93 1HE2 GLN 93 6.329 12.974 -7.117 731 HE22 GLN 93 2HE2 GLN 93 5.853 13.983 -8.440 732 H ARG 94 H ARG 94 4.882 8.122 -6.379 733 HA ARG 94 HA ARG 94 5.178 9.568 -3.933 734 HB2 ARG 94 2HB ARG 94 3.066 7.500 -4.679 735 HB3 ARG 94 3HB ARG 94 2.989 8.578 -3.289 736 HG2 ARG 94 2HG ARG 94 2.890 9.377 -6.212 737 HG3 ARG 94 3HG ARG 94 1.554 9.406 -5.065 738 HD2 ARG 94 2HD ARG 94 2.649 11.197 -3.802 739 HD3 ARG 94 3HD ARG 94 4.054 11.124 -4.874 740 HE ARG 94 HE ARG 94 1.433 11.706 -6.061 741 HH11 ARG 94 1HH1 ARG 94 4.570 12.960 -5.052 742 HH12 ARG 94 2HH1 ARG 94 4.403 14.425 -5.970 743 HH21 ARG 94 1HH2 ARG 94 1.232 13.610 -7.251 744 HH22 ARG 94 2HH2 ARG 94 2.502 14.793 -7.220 745 H VAL 95 H VAL 95 5.464 6.165 -4.851 746 HA VAL 95 HA VAL 95 5.850 5.005 -2.320 747 HB VAL 95 HB VAL 95 6.921 4.175 -5.062 748 HG11 VAL 95 1HG1 VAL 95 8.394 3.156 -3.383 749 HG12 VAL 95 2HG1 VAL 95 7.367 1.919 -4.106 750 HG13 VAL 95 3HG1 VAL 95 7.001 2.536 -2.493 751 HG21 VAL 95 3HG2 VAL 95 4.472 4.144 -4.855 752 HG22 VAL 95 1HG2 VAL 95 4.585 3.115 -3.430 753 HG23 VAL 95 2HG2 VAL 95 5.100 2.504 -5.004 754 H ARG 96 H ARG 96 8.306 6.163 -4.707 755 HA ARG 96 HA ARG 96 10.525 5.545 -3.040 756 HB2 ARG 96 2HB ARG 96 11.929 6.774 -4.623 757 HB3 ARG 96 3HB ARG 96 10.796 5.724 -5.462 758 HG2 ARG 96 2HG ARG 96 9.380 7.649 -6.015 759 HG3 ARG 96 3HG ARG 96 10.471 8.722 -5.135 760 HD2 ARG 96 2HD ARG 96 10.819 8.811 -7.586 761 HD3 ARG 96 3HD ARG 96 12.262 8.268 -6.727 762 HE ARG 96 HE ARG 96 11.299 5.925 -7.340 763 HH11 ARG 96 1HH1 ARG 96 11.277 8.750 -9.468 764 HH12 ARG 96 2HH1 ARG 96 11.343 7.789 -10.913 765 HH21 ARG 96 1HH2 ARG 96 11.413 4.706 -9.221 766 HH22 ARG 96 2HH2 ARG 96 11.419 5.490 -10.769 767 H GLU 97 H GLU 97 8.721 8.617 -3.466 768 HA GLU 97 HA GLU 97 10.584 10.178 -1.941 769 HB2 GLU 97 2HB GLU 97 9.043 12.022 -2.119 770 HB3 GLU 97 3HB GLU 97 9.085 11.184 -3.662 771 HG2 GLU 97 2HG GLU 97 6.931 10.040 -3.025 772 HG3 GLU 97 3HG GLU 97 6.880 11.051 -1.583 773 H PHE 98 H PHE 98 7.609 8.417 -1.138 774 HA PHE 98 HA PHE 98 7.389 9.128 1.584 775 HB2 PHE 98 2HB PHE 98 5.645 7.948 0.278 776 HB3 PHE 98 3HB PHE 98 6.681 6.540 0.130 777 HD1 PHE 98 HD1 PHE 98 5.019 8.686 2.721 778 HD2 PHE 98 HD2 PHE 98 6.400 4.777 1.669 779 HE1 PHE 98 HE1 PHE 98 3.967 7.761 4.741 780 HE2 PHE 98 HE2 PHE 98 5.351 3.871 3.693 781 HZ PHE 98 HZ PHE 98 4.131 5.352 5.229 782 H LEU 99 H LEU 99 9.314 6.691 -0.108 783 HA LEU 99 HA LEU 99 10.469 5.566 2.295 784 HB2 LEU 99 2HB LEU 99 11.181 5.137 -0.635 785 HB3 LEU 99 3HB LEU 99 11.879 4.237 0.703 786 HG LEU 99 HG LEU 99 8.977 4.167 -0.210 787 HD11 LEU 99 1HD1 LEU 99 11.100 2.001 -0.268 788 HD12 LEU 99 2HD1 LEU 99 10.466 2.888 -1.658 789 HD13 LEU 99 3HD1 LEU 99 9.409 1.814 -0.747 790 HD21 LEU 99 3HD2 LEU 99 9.004 4.039 2.217 791 HD22 LEU 99 1HD2 LEU 99 10.218 2.757 2.171 792 HD23 LEU 99 2HD2 LEU 99 8.597 2.466 1.536 793 H LYS 100 H LYS 100 11.220 8.306 0.319 794 HA LYS 100 HA LYS 100 13.941 8.550 1.306 795 HB2 LYS 100 2HB LYS 100 12.148 10.507 -0.203 796 HB3 LYS 100 3HB LYS 100 13.767 10.922 0.354 797 HG2 LYS 100 2HG LYS 100 14.617 8.941 -1.033 798 HG3 LYS 100 3HG LYS 100 13.004 8.866 -1.744 799 HD2 LYS 100 2HD LYS 100 14.843 11.295 -1.830 800 HD3 LYS 100 3HD LYS 100 14.633 10.145 -3.149 801 HE2 LYS 100 2HE LYS 100 12.305 10.805 -3.415 802 HE3 LYS 100 3HE LYS 100 12.394 11.848 -1.992 803 HZ1 LYS 100 3HZ LYS 100 13.891 12.216 -4.537 804 HZ2 LYS 100 1HZ LYS 100 14.072 13.188 -3.167 805 HZ3 LYS 100 2HZ LYS 100 12.596 13.159 -3.997 806 H THR 101 H THR 101 10.718 9.870 2.161 807 HA THR 101 HA THR 101 11.813 11.864 3.970 808 HB THR 101 HB THR 101 9.338 12.349 4.402 809 HG1 THR 101 HG1 THR 101 8.446 10.983 2.209 810 HG21 THR 101 3HG2 THR 101 8.867 13.336 2.189 811 HG22 THR 101 1HG2 THR 101 10.152 12.364 1.466 812 HG23 THR 101 2HG2 THR 101 10.547 13.617 2.646 813 H ALA 102 H ALA 102 9.477 9.187 4.288 814 HA ALA 102 HA ALA 102 9.779 9.050 7.185 815 HB1 ALA 102 3HB ALA 102 8.024 7.465 5.268 816 HB2 ALA 102 1HB ALA 102 7.543 8.916 6.155 817 HB3 ALA 102 2HB ALA 102 7.917 7.431 7.033 818 H GLY 103 H GLY 103 10.736 7.253 4.306 819 HA2 GLY 103 2HA GLY 103 11.402 4.774 5.600 820 HA3 GLY 103 3HA GLY 103 11.808 5.238 3.961 821 H SER 104 H SER 104 13.520 6.996 3.849 822 HA SER 104 HA SER 104 15.858 5.988 5.278 823 HB2 SER 104 2HB SER 104 15.808 6.175 2.754 824 HB3 SER 104 3HB SER 104 15.681 7.928 2.912 825 HG SER 104 HG SER 104 17.777 6.528 4.176 826 H LEU 105 H LEU 105 15.193 6.948 7.295 827 HA LEU 105 HA LEU 105 14.751 9.703 7.724 828 HB2 LEU 105 2HB LEU 105 15.734 7.570 9.661 829 HB3 LEU 105 3HB LEU 105 15.197 9.173 10.144 830 HG LEU 105 HG LEU 105 13.453 7.036 8.846 831 HD11 LEU 105 1HD1 LEU 105 12.332 6.892 11.027 832 HD12 LEU 105 2HD1 LEU 105 13.486 8.042 11.710 833 HD13 LEU 105 3HD1 LEU 105 14.038 6.463 11.147 834 HD21 LEU 105 3HD2 LEU 105 12.678 9.790 9.869 835 HD22 LEU 105 1HD2 LEU 105 11.560 8.543 9.307 836 HD23 LEU 105 2HD2 LEU 105 12.706 9.266 8.182 837 H GLU 106 H GLU 106 16.105 11.378 7.850 838 HA GLU 106 HA GLU 106 17.925 12.698 8.011 839 HB2 GLU 106 2HB GLU 106 19.256 10.320 9.374 840 HB3 GLU 106 3HB GLU 106 19.877 11.966 9.366 841 HG2 GLU 106 2HG GLU 106 18.016 12.744 10.708 842 HG3 GLU 106 3HG GLU 106 17.222 11.172 10.607 843 H HIS 107 H HIS 107 17.529 10.694 5.733 844 HA HIS 107 HA HIS 107 19.893 9.855 4.531 845 HB2 HIS 107 2HB HIS 107 17.673 9.341 3.582 846 HB3 HIS 107 3HB HIS 107 17.398 11.033 3.205 847 HD1 HIS 107 HD1 HIS 107 18.647 12.005 1.116 848 HD2 HIS 107 HD2 HIS 107 19.247 7.934 1.720 849 HE1 HIS 107 HE1 HIS 107 19.638 11.142 -1.024 850 HE2 HIS 107 HE2 HIS 107 19.996 8.684 -0.637 851 H HIS 108 H HIS 108 21.699 11.100 4.364 852 HA HIS 108 HA HIS 108 21.684 13.917 4.540 853 HB2 HIS 108 2HB HIS 108 23.600 12.576 5.324 854 HB3 HIS 108 3HB HIS 108 23.943 12.059 3.676 855 HD1 HIS 108 HD1 HIS 108 23.832 15.270 5.718 856 HD2 HIS 108 HD2 HIS 108 25.698 13.722 2.339 857 HE1 HIS 108 HE1 HIS 108 25.464 17.027 4.978 858 HE2 HIS 108 HE2 HIS 108 26.606 16.059 2.958 859 H HIS 109 H HIS 109 21.213 15.327 3.037 860 HA HIS 109 HA HIS 109 21.032 14.867 0.236 861 HB2 HIS 109 2HB HIS 109 19.724 16.612 1.502 862 HB3 HIS 109 3HB HIS 109 21.212 17.514 1.766 863 HD1 HIS 109 HD1 HIS 109 22.245 18.715 -0.309 864 HD2 HIS 109 HD2 HIS 109 18.577 16.902 -1.024 865 HE1 HIS 109 HE1 HIS 109 21.440 19.659 -2.491 866 HE2 HIS 109 HE2 HIS 109 19.147 18.674 -2.804 867 H HIS 110 H HIS 110 22.973 14.037 -0.456 868 HA HIS 110 HA HIS 110 25.517 15.261 0.245 869 HB2 HIS 110 2HB HIS 110 26.521 13.308 -0.992 870 HB3 HIS 110 3HB HIS 110 25.497 12.866 0.363 871 HD1 HIS 110 HD1 HIS 110 25.831 12.477 -3.320 872 HD2 HIS 110 HD2 HIS 110 23.059 11.566 -0.363 873 HE1 HIS 110 HE1 HIS 110 24.271 10.800 -4.345 874 HE2 HIS 110 HE2 HIS 110 22.699 10.163 -2.492 875 H HIS 111 H HIS 111 25.308 17.250 -0.804 876 HA HIS 111 HA HIS 111 26.018 17.148 -3.684 877 HB2 HIS 111 2HB HIS 111 23.790 18.205 -3.458 878 HB3 HIS 111 3HB HIS 111 24.430 19.349 -2.283 879 HD1 HIS 111 HD1 HIS 111 24.777 18.445 -5.956 880 HD2 HIS 111 HD2 HIS 111 25.562 21.640 -3.406 881 HE1 HIS 111 HE1 HIS 111 25.538 20.323 -7.433 882 HE2 HIS 111 HE2 HIS 111 26.183 22.171 -5.858 883 H HIS 112 H HIS 112 28.107 17.587 -3.868 884 HA HIS 112 HA HIS 112 29.503 19.332 -1.978 885 HB2 HIS 112 2HB HIS 112 30.558 17.179 -2.705 886 HB3 HIS 112 3HB HIS 112 30.607 17.767 -4.363 887 HD1 HIS 112 HD1 HIS 112 32.535 19.313 -4.980 888 HD2 HIS 112 HD2 HIS 112 32.370 18.526 -0.906 889 HE1 HIS 112 HE1 HIS 112 34.678 20.212 -4.031 890 HE2 HIS 112 HE2 HIS 112 34.504 19.830 -1.554 Start of MODEL 18 1 H1 MET 1 1H MET 1 4.424 5.785 16.146 2 H2 MET 1 2H MET 1 2.895 5.562 16.818 3 H3 MET 1 3H MET 1 3.052 5.910 15.173 4 HA MET 1 HA MET 1 4.037 3.466 16.500 5 HB2 MET 1 2HB MET 1 1.638 3.921 14.673 6 HB3 MET 1 3HB MET 1 2.218 2.332 15.157 7 HG2 MET 1 2HG MET 1 1.226 4.438 17.097 8 HG3 MET 1 3HG MET 1 0.232 3.139 16.440 9 HE1 MET 1 3HE MET 1 2.159 0.637 16.393 10 HE2 MET 1 1HE MET 1 0.521 0.578 17.051 11 HE3 MET 1 2HE MET 1 1.873 -0.050 17.991 12 H GLY 2 H GLY 2 3.072 4.742 13.321 13 HA2 GLY 2 2HA GLY 2 5.283 4.795 11.794 14 HA3 GLY 2 3HA GLY 2 4.945 3.059 11.864 15 H LYS 3 H LYS 3 4.751 4.399 9.360 16 HA LYS 3 HA LYS 3 1.823 4.760 9.006 17 HB2 LYS 3 2HB LYS 3 3.089 6.961 9.232 18 HB3 LYS 3 3HB LYS 3 3.895 6.578 7.714 19 HG2 LYS 3 2HG LYS 3 1.762 6.612 6.515 20 HG3 LYS 3 3HG LYS 3 0.881 6.823 8.031 21 HD2 LYS 3 2HD LYS 3 1.082 8.955 6.761 22 HD3 LYS 3 3HD LYS 3 1.868 9.050 8.341 23 HE2 LYS 3 2HE LYS 3 4.055 8.826 7.341 24 HE3 LYS 3 3HE LYS 3 3.355 8.441 5.769 25 HZ1 LYS 3 3HZ LYS 3 2.467 10.661 5.643 26 HZ2 LYS 3 1HZ LYS 3 4.139 10.713 5.870 27 HZ3 LYS 3 2HZ LYS 3 3.099 11.049 7.161 28 H VAL 4 H VAL 4 0.936 4.100 7.113 29 HA VAL 4 HA VAL 4 2.610 2.548 5.209 30 HB VAL 4 HB VAL 4 -0.312 1.990 5.951 31 HG11 VAL 4 1HG1 VAL 4 1.680 0.291 4.406 32 HG12 VAL 4 2HG1 VAL 4 0.318 1.180 3.722 33 HG13 VAL 4 3HG1 VAL 4 0.027 -0.171 4.818 34 HG21 VAL 4 3HG2 VAL 4 0.457 0.068 7.284 35 HG22 VAL 4 1HG2 VAL 4 1.080 1.585 7.936 36 HG23 VAL 4 2HG2 VAL 4 2.138 0.527 7.001 37 H LEU 5 H LEU 5 2.198 2.900 2.994 38 HA LEU 5 HA LEU 5 0.212 4.951 2.246 39 HB2 LEU 5 2HB LEU 5 2.571 5.288 1.496 40 HB3 LEU 5 3HB LEU 5 2.511 3.761 0.631 41 HG LEU 5 HG LEU 5 0.733 4.690 -0.864 42 HD11 LEU 5 1HD1 LEU 5 1.152 7.290 0.629 43 HD12 LEU 5 2HD1 LEU 5 -0.315 6.302 0.594 44 HD13 LEU 5 3HD1 LEU 5 0.240 7.103 -0.873 45 HD21 LEU 5 3HD2 LEU 5 3.264 6.367 -0.800 46 HD22 LEU 5 1HD2 LEU 5 2.168 6.191 -2.177 47 HD23 LEU 5 2HD2 LEU 5 3.070 4.798 -1.585 48 H LEU 6 H LEU 6 -1.706 4.056 1.779 49 HA LEU 6 HA LEU 6 -1.981 1.357 0.712 50 HB2 LEU 6 2HB LEU 6 -3.496 2.328 2.520 51 HB3 LEU 6 3HB LEU 6 -4.126 3.448 1.322 52 HG LEU 6 HG LEU 6 -4.924 1.440 -0.020 53 HD11 LEU 6 1HD1 LEU 6 -3.424 -0.260 0.858 54 HD12 LEU 6 2HD1 LEU 6 -5.103 -0.737 1.087 55 HD13 LEU 6 3HD1 LEU 6 -4.168 -0.132 2.456 56 HD21 LEU 6 3HD2 LEU 6 -6.088 1.713 2.772 57 HD22 LEU 6 1HD2 LEU 6 -6.906 1.015 1.370 58 HD23 LEU 6 2HD2 LEU 6 -6.476 2.724 1.379 59 H VAL 7 H VAL 7 -1.280 1.393 -1.398 60 HA VAL 7 HA VAL 7 -1.901 3.585 -3.218 61 HB VAL 7 HB VAL 7 -0.332 1.000 -3.720 62 HG11 VAL 7 1HG1 VAL 7 -0.481 3.519 -5.421 63 HG12 VAL 7 2HG1 VAL 7 -1.207 1.960 -5.811 64 HG13 VAL 7 3HG1 VAL 7 0.548 2.118 -5.737 65 HG21 VAL 7 3HG2 VAL 7 1.710 2.366 -3.494 66 HG22 VAL 7 1HG2 VAL 7 0.765 2.367 -2.002 67 HG23 VAL 7 2HG2 VAL 7 0.731 3.773 -3.068 68 H ILE 8 H ILE 8 -3.934 3.511 -3.905 69 HA ILE 8 HA ILE 8 -5.159 1.013 -4.932 70 HB ILE 8 HB ILE 8 -6.529 3.627 -4.103 71 HG12 ILE 8 2HG1 ILE 8 -6.423 0.960 -2.622 72 HG13 ILE 8 3HG1 ILE 8 -5.631 2.449 -2.125 73 HG21 ILE 8 1HG2 ILE 8 -7.779 0.971 -4.892 74 HG22 ILE 8 2HG2 ILE 8 -7.761 2.437 -5.875 75 HG23 ILE 8 3HG2 ILE 8 -8.651 2.407 -4.353 76 HD11 ILE 8 3HD1 ILE 8 -7.827 3.493 -1.804 77 HD12 ILE 8 1HD1 ILE 8 -7.600 2.054 -0.813 78 HD13 ILE 8 2HD1 ILE 8 -8.605 1.972 -2.258 79 H SER 9 H SER 9 -5.732 0.954 -7.071 80 HA SER 9 HA SER 9 -6.000 3.401 -8.649 81 HB2 SER 9 2HB SER 9 -4.292 1.131 -9.753 82 HB3 SER 9 3HB SER 9 -4.473 2.768 -10.386 83 HG SER 9 HG SER 9 -3.470 3.393 -8.279 84 H THR 10 H THR 10 -7.506 3.182 -10.234 85 HA THR 10 HA THR 10 -9.363 1.060 -10.250 86 HB THR 10 HB THR 10 -8.938 3.104 -12.475 87 HG1 THR 10 HG1 THR 10 -10.156 3.454 -9.924 88 HG21 THR 10 3HG2 THR 10 -11.379 3.030 -12.714 89 HG22 THR 10 1HG2 THR 10 -11.502 1.885 -11.375 90 HG23 THR 10 2HG2 THR 10 -10.720 1.401 -12.882 91 H ASP 11 H ASP 11 -6.565 1.857 -12.264 92 HA ASP 11 HA ASP 11 -6.767 -0.558 -13.899 93 HB2 ASP 11 2HB ASP 11 -4.778 1.752 -13.898 94 HB3 ASP 11 3HB ASP 11 -4.650 0.357 -14.959 95 H THR 12 H THR 12 -6.395 -2.201 -12.451 96 HA THR 12 HA THR 12 -4.281 -2.271 -10.536 97 HB THR 12 HB THR 12 -5.908 -4.593 -11.660 98 HG1 THR 12 HG1 THR 12 -6.562 -2.485 -9.996 99 HG21 THR 12 3HG2 THR 12 -4.449 -4.297 -9.002 100 HG22 THR 12 1HG2 THR 12 -3.980 -5.372 -10.322 101 HG23 THR 12 2HG2 THR 12 -5.489 -5.650 -9.450 102 H ASN 13 H ASN 13 -4.358 -2.869 -13.942 103 HA ASN 13 HA ASN 13 -1.977 -4.371 -14.280 104 HB2 ASN 13 2HB ASN 13 -3.273 -2.277 -16.086 105 HB3 ASN 13 3HB ASN 13 -1.864 -3.227 -16.559 106 HD21 ASN 13 1HD2 ASN 13 -2.959 -4.151 -18.297 107 HD22 ASN 13 2HD2 ASN 13 -4.213 -5.322 -18.100 108 H ILE 14 H ILE 14 -2.590 -0.883 -13.829 109 HA ILE 14 HA ILE 14 0.132 -0.047 -14.235 110 HB ILE 14 HB ILE 14 -2.201 1.413 -12.898 111 HG12 ILE 14 2HG1 ILE 14 -2.584 0.917 -15.303 112 HG13 ILE 14 3HG1 ILE 14 -2.420 2.643 -15.030 113 HG21 ILE 14 1HG2 ILE 14 -0.909 3.495 -13.171 114 HG22 ILE 14 2HG2 ILE 14 0.467 2.574 -13.778 115 HG23 ILE 14 3HG2 ILE 14 -0.068 2.357 -12.112 116 HD11 ILE 14 3HD1 ILE 14 -1.322 1.972 -17.069 117 HD12 ILE 14 1HD1 ILE 14 -0.319 0.815 -16.196 118 HD13 ILE 14 2HD1 ILE 14 -0.123 2.548 -15.914 119 H ILE 15 H ILE 15 -1.878 -0.873 -11.422 120 HA ILE 15 HA ILE 15 -0.089 -0.464 -9.310 121 HB ILE 15 HB ILE 15 -2.290 -2.530 -9.721 122 HG12 ILE 15 2HG1 ILE 15 -2.127 -0.056 -7.953 123 HG13 ILE 15 3HG1 ILE 15 -3.004 -0.187 -9.471 124 HG21 ILE 15 1HG2 ILE 15 -0.703 -3.601 -8.185 125 HG22 ILE 15 2HG2 ILE 15 -2.191 -3.167 -7.345 126 HG23 ILE 15 3HG2 ILE 15 -0.741 -2.183 -7.135 127 HD11 ILE 15 3HD1 ILE 15 -3.641 -1.611 -6.893 128 HD12 ILE 15 1HD1 ILE 15 -4.476 -1.878 -8.427 129 HD13 ILE 15 2HD1 ILE 15 -4.540 -0.296 -7.651 130 H SER 16 H SER 16 -0.443 -3.260 -11.500 131 HA SER 16 HA SER 16 1.481 -4.932 -10.249 132 HB2 SER 16 2HB SER 16 -0.346 -5.751 -11.761 133 HB3 SER 16 3HB SER 16 0.498 -5.045 -13.141 134 HG SER 16 HG SER 16 2.145 -6.506 -12.870 135 H SER 17 H SER 17 1.687 -2.694 -13.013 136 HA SER 17 HA SER 17 4.323 -3.300 -13.833 137 HB2 SER 17 2HB SER 17 2.694 -0.753 -14.200 138 HB3 SER 17 3HB SER 17 4.163 -1.150 -15.092 139 HG SER 17 HG SER 17 2.836 -3.190 -15.603 140 H VAL 18 H VAL 18 3.080 -0.702 -11.742 141 HA VAL 18 HA VAL 18 5.584 0.516 -11.122 142 HB VAL 18 HB VAL 18 2.905 0.612 -9.654 143 HG11 VAL 18 1HG1 VAL 18 3.721 2.642 -8.515 144 HG12 VAL 18 2HG1 VAL 18 5.314 2.420 -9.237 145 HG13 VAL 18 3HG1 VAL 18 4.694 1.232 -8.090 146 HG21 VAL 18 3HG2 VAL 18 2.823 1.485 -11.961 147 HG22 VAL 18 1HG2 VAL 18 4.144 2.597 -11.598 148 HG23 VAL 18 2HG2 VAL 18 2.588 2.777 -10.785 149 H GLN 19 H GLN 19 3.662 -2.036 -9.619 150 HA GLN 19 HA GLN 19 5.020 -2.482 -7.223 151 HB2 GLN 19 2HB GLN 19 2.892 -3.580 -7.783 152 HB3 GLN 19 3HB GLN 19 3.660 -4.462 -9.093 153 HG2 GLN 19 2HG GLN 19 5.158 -5.481 -7.200 154 HG3 GLN 19 3HG GLN 19 3.889 -4.909 -6.118 155 HE21 GLN 19 1HE2 GLN 19 1.742 -5.436 -8.116 156 HE22 GLN 19 2HE2 GLN 19 1.567 -7.152 -8.160 157 H GLU 20 H GLU 20 5.519 -4.059 -10.400 158 HA GLU 20 HA GLU 20 7.709 -5.701 -9.630 159 HB2 GLU 20 2HB GLU 20 6.712 -4.812 -12.371 160 HB3 GLU 20 3HB GLU 20 7.960 -6.034 -12.140 161 HG2 GLU 20 2HG GLU 20 6.401 -7.538 -11.057 162 HG3 GLU 20 3HG GLU 20 5.164 -6.287 -10.979 163 H ARG 21 H ARG 21 7.550 -2.440 -11.011 164 HA ARG 21 HA ARG 21 10.345 -2.142 -11.517 165 HB2 ARG 21 2HB ARG 21 8.837 -0.644 -12.646 166 HB3 ARG 21 3HB ARG 21 8.103 -0.123 -11.133 167 HG2 ARG 21 2HG ARG 21 9.973 1.211 -10.544 168 HG3 ARG 21 3HG ARG 21 11.029 0.402 -11.698 169 HD2 ARG 21 2HD ARG 21 10.379 2.723 -12.365 170 HD3 ARG 21 3HD ARG 21 9.955 1.493 -13.559 171 HE ARG 21 HE ARG 21 7.993 2.648 -11.654 172 HH11 ARG 21 1HH1 ARG 21 8.839 1.650 -14.922 173 HH12 ARG 21 2HH1 ARG 21 7.271 2.022 -15.567 174 HH21 ARG 21 1HH2 ARG 21 5.965 3.133 -12.500 175 HH22 ARG 21 2HH2 ARG 21 5.634 2.865 -14.182 176 H ALA 22 H ALA 22 8.238 -1.489 -8.733 177 HA ALA 22 HA ALA 22 10.251 -0.228 -7.121 178 HB1 ALA 22 3HB ALA 22 8.600 -0.380 -5.313 179 HB2 ALA 22 1HB ALA 22 7.602 -1.464 -6.291 180 HB3 ALA 22 2HB ALA 22 7.853 0.207 -6.798 181 H LYS 23 H LYS 23 9.148 -3.564 -7.539 182 HA LYS 23 HA LYS 23 10.690 -4.736 -5.421 183 HB2 LYS 23 2HB LYS 23 9.507 -5.964 -7.956 184 HB3 LYS 23 3HB LYS 23 10.236 -6.899 -6.654 185 HG2 LYS 23 2HG LYS 23 8.488 -6.281 -5.105 186 HG3 LYS 23 3HG LYS 23 7.850 -5.072 -6.223 187 HD2 LYS 23 2HD LYS 23 6.383 -6.993 -6.289 188 HD3 LYS 23 3HD LYS 23 7.258 -6.927 -7.818 189 HE2 LYS 23 2HE LYS 23 7.155 -9.223 -7.078 190 HE3 LYS 23 3HE LYS 23 8.824 -8.676 -6.914 191 HZ1 LYS 23 3HZ LYS 23 8.089 -9.935 -4.985 192 HZ2 LYS 23 1HZ LYS 23 6.828 -8.841 -4.719 193 HZ3 LYS 23 2HZ LYS 23 8.433 -8.337 -4.549 194 H HIS 24 H HIS 24 11.409 -3.797 -8.736 195 HA HIS 24 HA HIS 24 13.993 -5.087 -8.849 196 HB2 HIS 24 2HB HIS 24 12.774 -4.619 -10.922 197 HB3 HIS 24 3HB HIS 24 12.726 -2.896 -10.564 198 HD1 HIS 24 HD1 HIS 24 14.738 -1.511 -11.267 199 HD2 HIS 24 HD2 HIS 24 15.380 -5.596 -11.705 200 HE1 HIS 24 HE1 HIS 24 16.907 -1.723 -12.513 201 HE2 HIS 24 HE2 HIS 24 17.255 -4.196 -12.800 202 H ASN 25 H ASN 25 12.754 -1.903 -7.974 203 HA ASN 25 HA ASN 25 15.394 -0.659 -7.784 204 HB2 ASN 25 2HB ASN 25 12.565 0.430 -7.405 205 HB3 ASN 25 3HB ASN 25 14.017 1.405 -7.202 206 HD21 ASN 25 1HD2 ASN 25 13.252 2.797 -8.890 207 HD22 ASN 25 2HD2 ASN 25 13.367 2.342 -10.551 208 H TYR 26 H TYR 26 13.264 -2.326 -5.683 209 HA TYR 26 HA TYR 26 14.832 -1.537 -3.300 210 HB2 TYR 26 2HB TYR 26 11.776 -1.732 -3.447 211 HB3 TYR 26 3HB TYR 26 12.687 -1.593 -1.944 212 HD1 TYR 26 HD1 TYR 26 14.401 0.459 -1.892 213 HD2 TYR 26 HD2 TYR 26 10.905 0.289 -4.358 214 HE1 TYR 26 HE1 TYR 26 14.402 2.900 -2.063 215 HE2 TYR 26 HE2 TYR 26 10.914 2.749 -4.525 216 HH TYR 26 HH TYR 26 11.855 4.667 -2.981 217 HA PRO 27 HA PRO 27 14.830 -6.016 -2.532 218 HB2 PRO 27 2HB PRO 27 14.875 -6.178 0.214 219 HB3 PRO 27 3HB PRO 27 16.259 -5.574 -0.719 220 HG2 PRO 27 2HG PRO 27 14.122 -4.009 0.696 221 HG3 PRO 27 3HG PRO 27 15.886 -3.777 0.732 222 HD2 PRO 27 2HD PRO 27 14.286 -2.269 -0.848 223 HD3 PRO 27 3HD PRO 27 15.927 -2.728 -1.354 224 H GLY 28 H GLY 28 12.129 -4.926 -3.037 225 HA2 GLY 28 2HA GLY 28 9.889 -5.181 -2.664 226 HA3 GLY 28 3HA GLY 28 10.304 -6.791 -2.074 227 H ARG 29 H ARG 29 8.984 -6.874 -0.251 228 HA ARG 29 HA ARG 29 8.780 -6.983 1.990 229 HB2 ARG 29 2HB ARG 29 11.322 -6.937 1.829 230 HB3 ARG 29 3HB ARG 29 11.246 -5.220 2.212 231 HG2 ARG 29 2HG ARG 29 10.222 -5.762 4.399 232 HG3 ARG 29 3HG ARG 29 10.283 -7.483 3.997 233 HD2 ARG 29 2HD ARG 29 12.656 -5.620 4.350 234 HD3 ARG 29 3HD ARG 29 12.163 -6.917 5.442 235 HE ARG 29 HE ARG 29 12.591 -8.126 2.992 236 HH11 ARG 29 1HH1 ARG 29 14.569 -6.271 5.255 237 HH12 ARG 29 2HH1 ARG 29 16.045 -7.057 4.798 238 HH21 ARG 29 1HH2 ARG 29 14.569 -9.150 2.410 239 HH22 ARG 29 2HH2 ARG 29 16.043 -8.678 3.198 240 H TYR 30 H TYR 30 10.095 -3.667 1.772 241 HA TYR 30 HA TYR 30 8.004 -2.261 3.015 242 HB2 TYR 30 2HB TYR 30 10.013 -1.404 0.877 243 HB3 TYR 30 3HB TYR 30 8.918 -0.271 1.667 244 HD1 TYR 30 HD2 TYR 30 11.729 -2.664 2.319 245 HD2 TYR 30 HD1 TYR 30 9.473 0.655 3.805 246 HE1 TYR 30 HE2 TYR 30 13.329 -2.416 4.168 247 HE2 TYR 30 HE1 TYR 30 11.063 0.916 5.657 248 HH TYR 30 HH TYR 30 14.077 -0.650 5.767 249 H ILE 31 H ILE 31 8.293 -3.585 -0.190 250 HA ILE 31 HA ILE 31 5.705 -2.477 -1.055 251 HB ILE 31 HB ILE 31 7.869 -4.055 -2.549 252 HG12 ILE 31 2HG1 ILE 31 7.817 -1.969 -4.073 253 HG13 ILE 31 3HG1 ILE 31 6.854 -1.187 -2.833 254 HG21 ILE 31 1HG2 ILE 31 5.144 -3.244 -3.640 255 HG22 ILE 31 2HG2 ILE 31 5.709 -4.891 -3.358 256 HG23 ILE 31 3HG2 ILE 31 6.470 -3.902 -4.603 257 HD11 ILE 31 3HD1 ILE 31 9.183 -0.515 -2.711 258 HD12 ILE 31 1HD1 ILE 31 9.684 -2.197 -2.524 259 HD13 ILE 31 2HD1 ILE 31 8.734 -1.413 -1.259 260 H ARG 32 H ARG 32 3.973 -3.656 -0.607 261 HA ARG 32 HA ARG 32 4.013 -6.598 -0.427 262 HB2 ARG 32 2HB ARG 32 4.309 -5.684 1.864 263 HB3 ARG 32 3HB ARG 32 2.946 -4.597 1.640 264 HG2 ARG 32 2HG ARG 32 2.270 -6.402 3.068 265 HG3 ARG 32 3HG ARG 32 1.432 -6.580 1.531 266 HD2 ARG 32 2HD ARG 32 2.902 -8.389 0.875 267 HD3 ARG 32 3HD ARG 32 3.937 -8.118 2.279 268 HE ARG 32 HE ARG 32 2.246 -9.005 3.695 269 HH11 ARG 32 1HH1 ARG 32 1.426 -9.371 0.286 270 HH12 ARG 32 2HH1 ARG 32 0.241 -10.603 0.586 271 HH21 ARG 32 1HH2 ARG 32 0.698 -10.638 4.060 272 HH22 ARG 32 2HH2 ARG 32 -0.165 -11.315 2.709 273 H THR 33 H THR 33 2.061 -7.474 -1.195 274 HA THR 33 HA THR 33 0.146 -5.566 -2.409 275 HB THR 33 HB THR 33 -0.461 -7.527 -3.931 276 HG1 THR 33 HG1 THR 33 0.367 -9.294 -2.887 277 HG21 THR 33 3HG2 THR 33 1.023 -5.709 -4.724 278 HG22 THR 33 1HG2 THR 33 1.483 -7.271 -5.410 279 HG23 THR 33 2HG2 THR 33 2.421 -6.577 -4.086 280 H ALA 34 H ALA 34 -1.797 -5.473 -1.621 281 HA ALA 34 HA ALA 34 -2.980 -7.691 -0.069 282 HB1 ALA 34 3HB ALA 34 -4.611 -6.007 0.726 283 HB2 ALA 34 1HB ALA 34 -3.804 -4.770 -0.244 284 HB3 ALA 34 2HB ALA 34 -2.955 -5.529 1.103 285 H THR 35 H THR 35 -3.668 -9.014 -1.712 286 HA THR 35 HA THR 35 -5.606 -7.969 -3.675 287 HB THR 35 HB THR 35 -3.885 -9.572 -4.505 288 HG1 THR 35 HG1 THR 35 -6.244 -9.401 -5.196 289 HG21 THR 35 3HG2 THR 35 -3.647 -11.050 -2.523 290 HG22 THR 35 1HG2 THR 35 -4.048 -11.977 -3.971 291 HG23 THR 35 2HG2 THR 35 -5.292 -11.642 -2.765 292 H SER 36 H SER 36 -5.418 -9.376 -0.589 293 HA SER 36 HA SER 36 -8.319 -9.421 -0.354 294 HB2 SER 36 2HB SER 36 -7.688 -11.781 -0.917 295 HB3 SER 36 3HB SER 36 -6.597 -11.819 0.468 296 HG SER 36 HG SER 36 -9.280 -12.201 0.376 297 H SER 37 H SER 37 -8.966 -9.594 1.915 298 HA SER 37 HA SER 37 -7.357 -8.039 3.711 299 HB2 SER 37 2HB SER 37 -9.206 -8.501 5.374 300 HB3 SER 37 3HB SER 37 -9.744 -7.767 3.863 301 HG SER 37 HG SER 37 -11.077 -9.494 4.530 302 H GLN 38 H GLN 38 -7.567 -11.387 2.955 303 HA GLN 38 HA GLN 38 -6.392 -12.617 5.166 304 HB2 GLN 38 2HB GLN 38 -5.816 -13.127 2.210 305 HB3 GLN 38 3HB GLN 38 -5.393 -14.222 3.518 306 HG2 GLN 38 2HG GLN 38 -8.206 -13.459 2.686 307 HG3 GLN 38 3HG GLN 38 -7.395 -14.976 2.320 308 HE21 GLN 38 1HE2 GLN 38 -9.010 -13.124 4.769 309 HE22 GLN 38 2HE2 GLN 38 -9.137 -14.395 5.932 310 H ASP 39 H ASP 39 -4.848 -10.847 2.455 311 HA ASP 39 HA ASP 39 -2.194 -10.871 3.471 312 HB2 ASP 39 2HB ASP 39 -3.503 -8.801 1.642 313 HB3 ASP 39 3HB ASP 39 -1.769 -8.987 1.898 314 H ILE 40 H ILE 40 -4.861 -8.505 3.687 315 HA ILE 40 HA ILE 40 -3.442 -6.345 4.751 316 HB ILE 40 HB ILE 40 -6.380 -7.101 4.911 317 HG12 ILE 40 2HG1 ILE 40 -4.883 -5.020 3.245 318 HG13 ILE 40 3HG1 ILE 40 -5.427 -6.587 2.668 319 HG21 ILE 40 1HG2 ILE 40 -6.921 -4.824 5.654 320 HG22 ILE 40 2HG2 ILE 40 -5.204 -4.453 5.812 321 HG23 ILE 40 3HG2 ILE 40 -5.941 -5.668 6.857 322 HD11 ILE 40 3HD1 ILE 40 -6.887 -4.882 1.871 323 HD12 ILE 40 1HD1 ILE 40 -7.168 -4.278 3.504 324 HD13 ILE 40 2HD1 ILE 40 -7.759 -5.874 3.037 325 H ARG 41 H ARG 41 -5.227 -8.889 6.563 326 HA ARG 41 HA ARG 41 -4.832 -7.847 9.148 327 HB2 ARG 41 2HB ARG 41 -5.118 -10.775 8.342 328 HB3 ARG 41 3HB ARG 41 -5.323 -10.143 9.969 329 HG2 ARG 41 2HG ARG 41 -7.089 -9.565 7.573 330 HG3 ARG 41 3HG ARG 41 -7.491 -10.570 8.961 331 HD2 ARG 41 2HD ARG 41 -7.046 -7.573 8.970 332 HD3 ARG 41 3HD ARG 41 -8.590 -8.407 9.144 333 HE ARG 41 HE ARG 41 -6.400 -8.384 11.123 334 HH11 ARG 41 1HH1 ARG 41 -9.813 -8.855 10.418 335 HH12 ARG 41 2HH1 ARG 41 -10.255 -9.006 12.087 336 HH21 ARG 41 1HH2 ARG 41 -6.999 -8.534 13.306 337 HH22 ARG 41 2HH2 ARG 41 -8.655 -8.824 13.720 338 H ASP 42 H ASP 42 -2.865 -10.062 7.210 339 HA ASP 42 HA ASP 42 -0.768 -10.569 9.030 340 HB2 ASP 42 2HB ASP 42 -1.052 -11.951 7.038 341 HB3 ASP 42 3HB ASP 42 -0.879 -10.561 5.979 342 H ILE 43 H ILE 43 -1.335 -7.911 6.729 343 HA ILE 43 HA ILE 43 1.264 -6.762 6.739 344 HB ILE 43 HB ILE 43 -1.467 -5.580 6.030 345 HG12 ILE 43 2HG1 ILE 43 0.751 -6.587 4.185 346 HG13 ILE 43 3HG1 ILE 43 -0.676 -7.509 4.618 347 HG21 ILE 43 1HG2 ILE 43 -0.324 -3.760 4.864 348 HG22 ILE 43 2HG2 ILE 43 1.241 -4.366 5.399 349 HG23 ILE 43 3HG2 ILE 43 0.087 -3.742 6.582 350 HD11 ILE 43 3HD1 ILE 43 -0.614 -4.953 3.027 351 HD12 ILE 43 1HD1 ILE 43 -2.081 -5.799 3.530 352 HD13 ILE 43 2HD1 ILE 43 -0.945 -6.578 2.432 353 H ILE 44 H ILE 44 -1.715 -5.930 8.508 354 HA ILE 44 HA ILE 44 -0.608 -3.603 9.767 355 HB ILE 44 HB ILE 44 -3.241 -5.069 10.276 356 HG12 ILE 44 2HG1 ILE 44 -2.610 -2.607 8.567 357 HG13 ILE 44 3HG1 ILE 44 -2.979 -4.209 7.949 358 HG21 ILE 44 1HG2 ILE 44 -4.028 -2.994 11.369 359 HG22 ILE 44 2HG2 ILE 44 -2.430 -2.273 11.168 360 HG23 ILE 44 3HG2 ILE 44 -2.637 -3.668 12.227 361 HD11 ILE 44 3HD1 ILE 44 -4.866 -2.752 7.717 362 HD12 ILE 44 1HD1 ILE 44 -4.869 -2.406 9.447 363 HD13 ILE 44 2HD1 ILE 44 -5.241 -4.033 8.866 364 H LYS 45 H LYS 45 -1.046 -6.993 10.745 365 HA LYS 45 HA LYS 45 -0.273 -6.677 13.473 366 HB2 LYS 45 2HB LYS 45 -0.124 -9.082 11.621 367 HB3 LYS 45 3HB LYS 45 0.381 -9.157 13.306 368 HG2 LYS 45 2HG LYS 45 -1.897 -8.564 14.030 369 HG3 LYS 45 3HG LYS 45 -2.414 -8.469 12.342 370 HD2 LYS 45 2HD LYS 45 -1.817 -10.884 12.057 371 HD3 LYS 45 3HD LYS 45 -1.390 -10.960 13.770 372 HE2 LYS 45 2HE LYS 45 -3.717 -10.398 14.374 373 HE3 LYS 45 3HE LYS 45 -4.143 -10.308 12.662 374 HZ1 LYS 45 3HZ LYS 45 -3.161 -12.731 14.075 375 HZ2 LYS 45 1HZ LYS 45 -3.581 -12.650 12.440 376 HZ3 LYS 45 2HZ LYS 45 -4.762 -12.429 13.628 377 H SER 46 H SER 46 1.588 -7.193 10.451 378 HA SER 46 HA SER 46 4.142 -7.462 11.659 379 HB2 SER 46 2HB SER 46 3.629 -8.218 9.349 380 HB3 SER 46 3HB SER 46 3.383 -6.544 8.845 381 HG SER 46 HG SER 46 5.500 -7.466 8.388 382 H MET 47 H MET 47 2.167 -4.730 10.699 383 HA MET 47 HA MET 47 4.176 -2.701 11.071 384 HB2 MET 47 2HB MET 47 1.148 -2.531 10.787 385 HB3 MET 47 3HB MET 47 2.194 -1.119 10.932 386 HG2 MET 47 2HG MET 47 2.222 -3.159 8.699 387 HG3 MET 47 3HG MET 47 1.663 -1.491 8.606 388 HE1 MET 47 3HE MET 47 3.328 0.642 8.723 389 HE2 MET 47 1HE MET 47 5.068 0.496 8.962 390 HE3 MET 47 2HE MET 47 3.962 0.079 10.271 391 H LYS 48 H LYS 48 2.278 -4.505 13.299 392 HA LYS 48 HA LYS 48 2.416 -2.540 15.439 393 HB2 LYS 48 2HB LYS 48 1.928 -5.549 15.617 394 HB3 LYS 48 3HB LYS 48 1.695 -4.385 16.919 395 HG2 LYS 48 2HG LYS 48 -0.087 -3.263 15.585 396 HG3 LYS 48 3HG LYS 48 0.146 -4.468 14.314 397 HD2 LYS 48 2HD LYS 48 -1.792 -5.108 15.623 398 HD3 LYS 48 3HD LYS 48 -0.497 -6.260 15.951 399 HE2 LYS 48 2HE LYS 48 -0.006 -5.097 18.079 400 HE3 LYS 48 3HE LYS 48 -1.293 -3.933 17.739 401 HZ1 LYS 48 3HZ LYS 48 -1.661 -6.861 18.111 402 HZ2 LYS 48 1HZ LYS 48 -2.891 -5.751 17.767 403 HZ3 LYS 48 2HZ LYS 48 -2.058 -5.662 19.231 404 H ASP 49 H ASP 49 4.402 -5.167 14.206 405 HA ASP 49 HA ASP 49 6.351 -5.116 16.362 406 HB2 ASP 49 2HB ASP 49 6.555 -6.377 13.583 407 HB3 ASP 49 3HB ASP 49 7.639 -6.689 14.936 408 H ASN 50 H ASN 50 5.988 -3.745 13.129 409 HA ASN 50 HA ASN 50 8.663 -2.461 13.254 410 HB2 ASN 50 2HB ASN 50 6.923 -3.137 10.828 411 HB3 ASN 50 3HB ASN 50 8.451 -2.263 10.756 412 HD21 ASN 50 1HD2 ASN 50 7.664 -4.821 9.537 413 HD22 ASN 50 2HD2 ASN 50 8.832 -5.972 10.080 414 H GLY 51 H GLY 51 8.783 -0.285 13.369 415 HA2 GLY 51 2HA GLY 51 6.446 1.430 13.313 416 HA3 GLY 51 3HA GLY 51 8.121 1.946 13.474 417 H LYS 52 H LYS 52 9.013 2.930 11.757 418 HA LYS 52 HA LYS 52 9.663 3.541 9.702 419 HB2 LYS 52 2HB LYS 52 10.284 1.742 8.230 420 HB3 LYS 52 3HB LYS 52 10.489 1.202 9.886 421 HG2 LYS 52 2HG LYS 52 8.418 -0.145 9.727 422 HG3 LYS 52 3HG LYS 52 8.159 0.438 8.078 423 HD2 LYS 52 2HD LYS 52 9.162 -1.816 8.039 424 HD3 LYS 52 3HD LYS 52 10.271 -0.626 7.357 425 HE2 LYS 52 2HE LYS 52 11.348 -0.547 9.710 426 HE3 LYS 52 3HE LYS 52 10.427 -2.010 10.046 427 HZ1 LYS 52 3HZ LYS 52 11.514 -3.066 8.163 428 HZ2 LYS 52 1HZ LYS 52 12.640 -2.556 9.311 429 HZ3 LYS 52 2HZ LYS 52 12.435 -1.679 7.877 430 HA PRO 53 HA PRO 53 6.326 3.929 6.486 431 HB2 PRO 53 2HB PRO 53 7.713 4.075 4.139 432 HB3 PRO 53 3HB PRO 53 7.710 5.413 5.302 433 HG2 PRO 53 2HG PRO 53 9.802 3.297 4.890 434 HG3 PRO 53 3HG PRO 53 10.004 5.057 5.082 435 HD2 PRO 53 2HD PRO 53 10.354 3.310 7.148 436 HD3 PRO 53 3HD PRO 53 9.769 4.971 7.391 437 H LEU 54 H LEU 54 5.077 2.509 5.333 438 HA LEU 54 HA LEU 54 6.317 0.179 4.005 439 HB2 LEU 54 2HB LEU 54 5.037 -0.373 6.229 440 HB3 LEU 54 3HB LEU 54 3.578 0.017 5.335 441 HG LEU 54 HG LEU 54 4.266 -1.781 3.641 442 HD11 LEU 54 1HD1 LEU 54 5.881 -3.470 4.344 443 HD12 LEU 54 2HD1 LEU 54 6.260 -2.533 5.791 444 HD13 LEU 54 3HD1 LEU 54 6.638 -1.883 4.194 445 HD21 LEU 54 3HD2 LEU 54 3.413 -3.644 4.950 446 HD22 LEU 54 1HD2 LEU 54 2.500 -2.180 5.313 447 HD23 LEU 54 2HD2 LEU 54 3.711 -2.771 6.454 448 H VAL 55 H VAL 55 4.769 -0.689 2.266 449 HA VAL 55 HA VAL 55 3.069 1.367 1.019 450 HB VAL 55 HB VAL 55 5.344 0.013 -0.539 451 HG11 VAL 55 1HG1 VAL 55 3.310 2.081 -1.449 452 HG12 VAL 55 2HG1 VAL 55 3.336 0.374 -1.903 453 HG13 VAL 55 3HG1 VAL 55 4.640 1.443 -2.420 454 HG21 VAL 55 3HG2 VAL 55 6.271 1.778 0.927 455 HG22 VAL 55 1HG2 VAL 55 5.139 2.952 0.248 456 HG23 VAL 55 2HG2 VAL 55 6.392 2.236 -0.772 457 H VAL 56 H VAL 56 1.219 0.295 0.751 458 HA VAL 56 HA VAL 56 1.200 -2.591 0.095 459 HB VAL 56 HB VAL 56 -0.854 -0.918 1.619 460 HG11 VAL 56 1HG1 VAL 56 -2.170 -2.998 1.903 461 HG12 VAL 56 2HG1 VAL 56 -1.069 -3.848 0.817 462 HG13 VAL 56 3HG1 VAL 56 -2.066 -2.528 0.204 463 HG21 VAL 56 3HG2 VAL 56 1.127 -1.573 2.932 464 HG22 VAL 56 1HG2 VAL 56 0.863 -3.267 2.506 465 HG23 VAL 56 2HG2 VAL 56 -0.315 -2.412 3.504 466 H PHE 57 H PHE 57 0.984 -2.767 -2.042 467 HA PHE 57 HA PHE 57 -0.724 -1.087 -3.692 468 HB2 PHE 57 2HB PHE 57 0.901 -3.616 -4.242 469 HB3 PHE 57 3HB PHE 57 -0.107 -2.860 -5.464 470 HD1 PHE 57 HD2 PHE 57 3.006 -2.504 -3.477 471 HD2 PHE 57 HD1 PHE 57 0.573 -0.790 -6.558 472 HE1 PHE 57 HE2 PHE 57 4.862 -1.020 -4.133 473 HE2 PHE 57 HE1 PHE 57 2.433 0.677 -7.200 474 HZ PHE 57 HZ PHE 57 4.573 0.571 -5.989 475 H VAL 58 H VAL 58 -2.896 -1.384 -3.660 476 HA VAL 58 HA VAL 58 -4.151 -3.816 -2.704 477 HB VAL 58 HB VAL 58 -5.428 -1.322 -3.935 478 HG11 VAL 58 1HG1 VAL 58 -6.949 -3.253 -4.064 479 HG12 VAL 58 2HG1 VAL 58 -7.541 -2.076 -2.893 480 HG13 VAL 58 3HG1 VAL 58 -6.748 -3.551 -2.336 481 HG21 VAL 58 3HG2 VAL 58 -4.184 -0.766 -1.899 482 HG22 VAL 58 1HG2 VAL 58 -5.040 -2.027 -1.007 483 HG23 VAL 58 2HG2 VAL 58 -5.920 -0.625 -1.621 484 H ASN 59 H ASN 59 -3.373 -5.329 -4.212 485 HA ASN 59 HA ASN 59 -3.704 -4.916 -7.073 486 HB2 ASN 59 2HB ASN 59 -1.620 -5.903 -5.994 487 HB3 ASN 59 3HB ASN 59 -2.560 -7.336 -5.603 488 HD21 ASN 59 1HD2 ASN 59 -0.174 -7.124 -7.243 489 HD22 ASN 59 2HD2 ASN 59 -0.584 -7.723 -8.810 490 H GLY 60 H GLY 60 -6.053 -4.805 -6.886 491 HA2 GLY 60 2HA GLY 60 -8.062 -5.677 -7.559 492 HA3 GLY 60 3HA GLY 60 -7.282 -7.238 -7.759 493 H ALA 61 H ALA 61 -8.400 -5.013 -5.223 494 HA ALA 61 HA ALA 61 -9.750 -7.238 -3.823 495 HB1 ALA 61 3HB ALA 61 -8.100 -5.095 -2.413 496 HB2 ALA 61 1HB ALA 61 -7.642 -6.790 -2.594 497 HB3 ALA 61 2HB ALA 61 -9.053 -6.358 -1.629 498 H SER 62 H SER 62 -11.564 -6.517 -2.517 499 HA SER 62 HA SER 62 -13.076 -4.443 -3.862 500 HB2 SER 62 2HB SER 62 -14.211 -6.535 -3.247 501 HB3 SER 62 3HB SER 62 -13.795 -6.302 -1.548 502 HG SER 62 HG SER 62 -15.993 -5.679 -2.225 503 H GLN 63 H GLN 63 -14.276 -2.790 -2.642 504 HA GLN 63 HA GLN 63 -12.786 -1.195 -0.868 505 HB2 GLN 63 2HB GLN 63 -14.595 -0.291 -2.301 506 HB3 GLN 63 3HB GLN 63 -15.797 -1.190 -1.382 507 HG2 GLN 63 2HG GLN 63 -15.726 1.220 -0.780 508 HG3 GLN 63 3HG GLN 63 -15.380 0.172 0.597 509 HE21 GLN 63 1HE2 GLN 63 -14.230 1.671 1.762 510 HE22 GLN 63 2HE2 GLN 63 -12.713 2.321 1.267 511 H ASN 64 H ASN 64 -14.949 -3.888 -0.323 512 HA ASN 64 HA ASN 64 -15.518 -3.713 2.405 513 HB2 ASN 64 2HB ASN 64 -14.816 -6.218 0.790 514 HB3 ASN 64 3HB ASN 64 -15.644 -6.212 2.346 515 HD21 ASN 64 1HD2 ASN 64 -16.447 -7.196 -0.331 516 HD22 ASN 64 2HD2 ASN 64 -17.978 -6.457 -0.639 517 H ASP 65 H ASP 65 -12.645 -5.003 0.742 518 HA ASP 65 HA ASP 65 -11.222 -5.882 3.079 519 HB2 ASP 65 2HB ASP 65 -10.092 -5.245 0.310 520 HB3 ASP 65 3HB ASP 65 -9.303 -6.194 1.562 521 H VAL 66 H VAL 66 -11.108 -3.053 0.966 522 HA VAL 66 HA VAL 66 -8.914 -1.682 2.077 523 HB VAL 66 HB VAL 66 -11.373 -0.609 0.612 524 HG11 VAL 66 1HG1 VAL 66 -10.367 1.232 1.849 525 HG12 VAL 66 2HG1 VAL 66 -10.036 1.422 0.127 526 HG13 VAL 66 3HG1 VAL 66 -8.769 0.837 1.206 527 HG21 VAL 66 3HG2 VAL 66 -10.039 -2.210 -0.714 528 HG22 VAL 66 1HG2 VAL 66 -8.585 -1.247 -0.442 529 HG23 VAL 66 2HG2 VAL 66 -9.921 -0.584 -1.389 530 H ASN 67 H ASN 67 -12.360 -1.652 2.907 531 HA ASN 67 HA ASN 67 -12.334 0.276 4.964 532 HB2 ASN 67 2HB ASN 67 -14.158 -2.138 4.515 533 HB3 ASN 67 3HB ASN 67 -14.413 -0.986 5.824 534 HD21 ASN 67 1HD2 ASN 67 -15.987 -1.695 3.365 535 HD22 ASN 67 2HD2 ASN 67 -16.330 -0.176 2.622 536 H GLU 68 H GLU 68 -11.795 -3.247 5.006 537 HA GLU 68 HA GLU 68 -11.469 -3.569 7.795 538 HB2 GLU 68 2HB GLU 68 -10.367 -5.246 5.498 539 HB3 GLU 68 3HB GLU 68 -10.346 -5.735 7.193 540 HG2 GLU 68 2HG GLU 68 -12.843 -5.616 7.225 541 HG3 GLU 68 3HG GLU 68 -12.810 -5.220 5.507 542 H PHE 69 H PHE 69 -9.185 -2.648 5.259 543 HA PHE 69 HA PHE 69 -6.797 -2.788 6.776 544 HB2 PHE 69 2HB PHE 69 -6.753 -2.558 4.315 545 HB3 PHE 69 3HB PHE 69 -7.498 -0.968 4.417 546 HD1 PHE 69 HD1 PHE 69 -4.382 -2.897 5.072 547 HD2 PHE 69 HD2 PHE 69 -6.147 1.003 4.925 548 HE1 PHE 69 HE1 PHE 69 -2.149 -1.868 5.204 549 HE2 PHE 69 HE2 PHE 69 -3.912 2.015 5.056 550 HZ PHE 69 HZ PHE 69 -1.919 0.584 5.199 551 H GLN 70 H GLN 70 -8.861 -0.020 5.968 552 HA GLN 70 HA GLN 70 -7.749 1.937 7.554 553 HB2 GLN 70 2HB GLN 70 -10.645 1.533 6.699 554 HB3 GLN 70 3HB GLN 70 -10.023 3.041 7.368 555 HG2 GLN 70 2HG GLN 70 -8.529 3.333 5.469 556 HG3 GLN 70 3HG GLN 70 -8.948 1.739 4.847 557 HE21 GLN 70 1HE2 GLN 70 -9.520 2.718 2.867 558 HE22 GLN 70 2HE2 GLN 70 -11.007 3.576 2.675 559 H ASN 71 H ASN 71 -10.256 -0.409 8.469 560 HA ASN 71 HA ASN 71 -10.824 0.624 11.057 561 HB2 ASN 71 2HB ASN 71 -11.302 -2.172 9.925 562 HB3 ASN 71 3HB ASN 71 -11.911 -1.625 11.485 563 HD21 ASN 71 1HD2 ASN 71 -13.407 -2.537 9.162 564 HD22 ASN 71 2HD2 ASN 71 -14.463 -1.242 8.728 565 H GLU 72 H GLU 72 -8.972 -2.372 10.189 566 HA GLU 72 HA GLU 72 -8.123 -2.849 12.808 567 HB2 GLU 72 2HB GLU 72 -6.721 -3.774 10.275 568 HB3 GLU 72 3HB GLU 72 -6.511 -4.455 11.881 569 HG2 GLU 72 2HG GLU 72 -8.900 -4.657 10.052 570 HG3 GLU 72 3HG GLU 72 -7.931 -5.957 10.729 571 H ALA 73 H ALA 73 -6.545 -0.894 10.254 572 HA ALA 73 HA ALA 73 -4.123 -0.407 11.611 573 HB1 ALA 73 3HB ALA 73 -3.870 1.502 10.080 574 HB2 ALA 73 1HB ALA 73 -5.576 1.372 9.623 575 HB3 ALA 73 2HB ALA 73 -4.452 0.075 9.224 576 H LYS 74 H LYS 74 -7.121 1.607 11.495 577 HA LYS 74 HA LYS 74 -6.192 3.665 13.163 578 HB2 LYS 74 2HB LYS 74 -8.417 4.529 13.272 579 HB3 LYS 74 3HB LYS 74 -8.262 3.789 11.686 580 HG2 LYS 74 2HG LYS 74 -9.545 1.840 12.435 581 HG3 LYS 74 3HG LYS 74 -9.615 2.491 14.065 582 HD2 LYS 74 2HD LYS 74 -11.747 2.933 13.145 583 HD3 LYS 74 3HD LYS 74 -10.908 4.480 13.065 584 HE2 LYS 74 2HE LYS 74 -11.125 2.560 10.720 585 HE3 LYS 74 3HE LYS 74 -12.266 3.868 11.017 586 HZ1 LYS 74 3HZ LYS 74 -10.567 4.469 9.409 587 HZ2 LYS 74 1HZ LYS 74 -9.356 4.221 10.557 588 HZ3 LYS 74 2HZ LYS 74 -10.492 5.456 10.776 589 H LYS 75 H LYS 75 -7.729 0.574 14.083 590 HA LYS 75 HA LYS 75 -8.172 1.361 16.843 591 HB2 LYS 75 2HB LYS 75 -9.009 -0.886 17.212 592 HB3 LYS 75 3HB LYS 75 -9.649 -0.283 15.691 593 HG2 LYS 75 2HG LYS 75 -7.958 -1.636 14.466 594 HG3 LYS 75 3HG LYS 75 -7.379 -2.264 16.010 595 HD2 LYS 75 2HD LYS 75 -8.878 -3.889 14.949 596 HD3 LYS 75 3HD LYS 75 -9.607 -3.278 16.435 597 HE2 LYS 75 2HE LYS 75 -11.056 -1.788 15.133 598 HE3 LYS 75 3HE LYS 75 -10.276 -2.307 13.636 599 HZ1 LYS 75 3HZ LYS 75 -11.118 -4.521 13.968 600 HZ2 LYS 75 1HZ LYS 75 -12.399 -3.421 14.023 601 HZ3 LYS 75 2HZ LYS 75 -11.808 -4.096 15.454 602 H GLU 76 H GLU 76 -5.554 -0.178 15.097 603 HA GLU 76 HA GLU 76 -4.073 -0.818 17.560 604 HB2 GLU 76 2HB GLU 76 -3.189 -1.131 14.659 605 HB3 GLU 76 3HB GLU 76 -2.391 -1.812 16.068 606 HG2 GLU 76 2HG GLU 76 -5.192 -2.575 15.204 607 HG3 GLU 76 3HG GLU 76 -3.748 -3.419 14.670 608 H GLY 77 H GLY 77 -4.688 1.944 15.937 609 HA2 GLY 77 2HA GLY 77 -3.807 4.053 16.092 610 HA3 GLY 77 3HA GLY 77 -2.519 3.411 17.093 611 H VAL 78 H VAL 78 -2.667 1.718 14.176 612 HA VAL 78 HA VAL 78 -0.179 2.761 13.227 613 HB VAL 78 HB VAL 78 -2.124 0.865 11.811 614 HG11 VAL 78 1HG1 VAL 78 -0.195 0.132 10.464 615 HG12 VAL 78 2HG1 VAL 78 0.838 1.312 11.271 616 HG13 VAL 78 3HG1 VAL 78 -0.490 1.859 10.246 617 HG21 VAL 78 3HG2 VAL 78 -0.767 -0.989 12.689 618 HG22 VAL 78 1HG2 VAL 78 -1.427 -0.024 14.012 619 HG23 VAL 78 2HG2 VAL 78 0.267 0.153 13.552 620 H SER 79 H SER 79 0.156 4.350 11.770 621 HA SER 79 HA SER 79 -2.080 5.958 10.818 622 HB2 SER 79 2HB SER 79 0.937 6.373 10.562 623 HB3 SER 79 3HB SER 79 -0.300 7.562 10.143 624 HG SER 79 HG SER 79 -0.964 7.486 12.358 625 H TYR 80 H TYR 80 -2.337 6.528 8.551 626 HA TYR 80 HA TYR 80 -0.998 5.052 6.473 627 HB2 TYR 80 2HB TYR 80 -2.972 3.757 5.687 628 HB3 TYR 80 3HB TYR 80 -2.479 3.259 7.299 629 HD1 TYR 80 HD1 TYR 80 -3.875 4.002 9.317 630 HD2 TYR 80 HD2 TYR 80 -5.209 4.601 5.294 631 HE1 TYR 80 HE1 TYR 80 -6.175 4.342 10.135 632 HE2 TYR 80 HE2 TYR 80 -7.494 4.943 6.113 633 HH TYR 80 HH TYR 80 -8.251 5.638 9.223 634 H ASP 81 H ASP 81 -1.547 5.754 4.377 635 HA ASP 81 HA ASP 81 -3.424 8.047 4.101 636 HB2 ASP 81 2HB ASP 81 -0.804 7.577 2.585 637 HB3 ASP 81 3HB ASP 81 -1.904 8.928 2.325 638 H VAL 82 H VAL 82 -5.091 7.541 2.810 639 HA VAL 82 HA VAL 82 -5.005 5.190 1.073 640 HB VAL 82 HB VAL 82 -7.365 7.051 1.685 641 HG11 VAL 82 1HG1 VAL 82 -7.671 5.827 -0.436 642 HG12 VAL 82 2HG1 VAL 82 -8.795 5.243 0.790 643 HG13 VAL 82 3HG1 VAL 82 -7.363 4.295 0.387 644 HG21 VAL 82 3HG2 VAL 82 -8.154 5.303 3.255 645 HG22 VAL 82 1HG2 VAL 82 -6.579 5.937 3.743 646 HG23 VAL 82 2HG2 VAL 82 -6.690 4.362 2.956 647 H LEU 83 H LEU 83 -3.791 5.718 -0.604 648 HA LEU 83 HA LEU 83 -4.113 8.171 -2.189 649 HB2 LEU 83 2HB LEU 83 -1.831 7.324 -1.652 650 HB3 LEU 83 3HB LEU 83 -2.192 5.803 -2.447 651 HG LEU 83 HG LEU 83 -2.424 7.098 -4.634 652 HD11 LEU 83 1HD1 LEU 83 -1.430 9.332 -4.800 653 HD12 LEU 83 2HD1 LEU 83 -1.257 9.394 -3.045 654 HD13 LEU 83 3HD1 LEU 83 -2.863 9.321 -3.774 655 HD21 LEU 83 3HD2 LEU 83 -0.403 5.813 -4.143 656 HD22 LEU 83 1HD2 LEU 83 0.297 7.189 -3.284 657 HD23 LEU 83 2HD2 LEU 83 0.003 7.284 -5.023 658 H LYS 84 H LYS 84 -5.447 8.186 -3.937 659 HA LYS 84 HA LYS 84 -5.880 5.683 -5.482 660 HB2 LYS 84 2HB LYS 84 -7.837 7.992 -5.077 661 HB3 LYS 84 3HB LYS 84 -8.049 6.722 -6.273 662 HG2 LYS 84 2HG LYS 84 -8.135 5.051 -4.393 663 HG3 LYS 84 3HG LYS 84 -8.102 6.407 -3.260 664 HD2 LYS 84 2HD LYS 84 -10.184 7.309 -4.308 665 HD3 LYS 84 3HD LYS 84 -10.227 5.915 -5.392 666 HE2 LYS 84 2HE LYS 84 -11.782 5.581 -3.556 667 HE3 LYS 84 3HE LYS 84 -10.455 4.425 -3.405 668 HZ1 LYS 84 3HZ LYS 84 -9.438 5.946 -1.778 669 HZ2 LYS 84 1HZ LYS 84 -10.951 5.385 -1.280 670 HZ3 LYS 84 2HZ LYS 84 -10.788 6.957 -1.878 671 H SER 85 H SER 85 -4.462 5.902 -7.125 672 HA SER 85 HA SER 85 -4.723 8.175 -8.961 673 HB2 SER 85 2HB SER 85 -2.021 7.319 -7.824 674 HB3 SER 85 3HB SER 85 -2.279 8.553 -9.058 675 HG SER 85 HG SER 85 -2.021 9.497 -7.032 676 H THR 86 H THR 86 -4.625 7.495 -11.046 677 HA THR 86 HA THR 86 -3.411 4.868 -11.707 678 HB THR 86 HB THR 86 -4.892 5.017 -13.810 679 HG1 THR 86 HG1 THR 86 -5.486 7.217 -13.652 680 HG21 THR 86 3HG2 THR 86 -6.911 4.157 -12.710 681 HG22 THR 86 1HG2 THR 86 -6.344 4.775 -11.156 682 HG23 THR 86 2HG2 THR 86 -5.460 3.482 -11.969 683 H ASP 87 H ASP 87 -1.350 5.624 -12.033 684 HA ASP 87 HA ASP 87 -0.757 6.813 -14.539 685 HB2 ASP 87 2HB ASP 87 -1.250 8.889 -13.118 686 HB3 ASP 87 3HB ASP 87 0.134 8.465 -12.120 687 HA PRO 88 HA PRO 88 2.312 3.664 -13.509 688 HB2 PRO 88 2HB PRO 88 4.001 4.096 -15.699 689 HB3 PRO 88 3HB PRO 88 2.495 3.156 -15.764 690 HG2 PRO 88 2HG PRO 88 2.928 6.042 -16.483 691 HG3 PRO 88 3HG PRO 88 2.058 4.781 -17.390 692 HD2 PRO 88 2HD PRO 88 0.687 6.543 -15.948 693 HD3 PRO 88 3HD PRO 88 0.206 4.826 -15.919 694 H GLU 89 H GLU 89 3.215 6.992 -14.233 695 HA GLU 89 HA GLU 89 5.932 6.700 -13.216 696 HB2 GLU 89 2HB GLU 89 4.477 9.184 -14.225 697 HB3 GLU 89 3HB GLU 89 6.207 9.053 -13.902 698 HG2 GLU 89 2HG GLU 89 6.403 7.342 -15.693 699 HG3 GLU 89 3HG GLU 89 4.681 7.502 -16.021 700 H GLU 90 H GLU 90 2.868 8.286 -12.278 701 HA GLU 90 HA GLU 90 3.963 9.807 -10.136 702 HB2 GLU 90 2HB GLU 90 1.814 10.374 -11.309 703 HB3 GLU 90 3HB GLU 90 1.046 9.010 -10.494 704 HG2 GLU 90 2HG GLU 90 1.734 10.088 -8.287 705 HG3 GLU 90 3HG GLU 90 2.200 11.514 -9.211 706 H LEU 91 H LEU 91 2.306 6.670 -10.266 707 HA LEU 91 HA LEU 91 2.082 6.263 -7.468 708 HB2 LEU 91 2HB LEU 91 2.274 4.242 -9.727 709 HB3 LEU 91 3HB LEU 91 1.949 3.796 -8.060 710 HG LEU 91 HG LEU 91 0.161 5.559 -9.783 711 HD11 LEU 91 1HD1 LEU 91 0.156 3.203 -10.491 712 HD12 LEU 91 2HD1 LEU 91 -1.391 3.679 -9.797 713 HD13 LEU 91 3HD1 LEU 91 -0.264 2.701 -8.850 714 HD21 LEU 91 3HD2 LEU 91 0.019 6.213 -7.434 715 HD22 LEU 91 1HD2 LEU 91 -0.260 4.537 -6.953 716 HD23 LEU 91 2HD2 LEU 91 -1.456 5.393 -7.928 717 H THR 92 H THR 92 4.724 5.635 -9.738 718 HA THR 92 HA THR 92 6.433 4.196 -7.981 719 HB THR 92 HB THR 92 7.177 5.855 -10.435 720 HG1 THR 92 HG1 THR 92 5.586 3.960 -10.539 721 HG21 THR 92 3HG2 THR 92 9.182 5.278 -9.098 722 HG22 THR 92 1HG2 THR 92 9.152 4.353 -10.603 723 HG23 THR 92 2HG2 THR 92 8.694 3.582 -9.084 724 H GLN 93 H GLN 93 6.126 7.712 -8.759 725 HA GLN 93 HA GLN 93 8.368 8.480 -7.158 726 HB2 GLN 93 2HB GLN 93 7.755 10.785 -7.442 727 HB3 GLN 93 3HB GLN 93 7.527 9.975 -8.984 728 HG2 GLN 93 2HG GLN 93 5.158 10.048 -8.784 729 HG3 GLN 93 3HG GLN 93 5.239 10.495 -7.080 730 HE21 GLN 93 1HE2 GLN 93 5.630 12.638 -6.524 731 HE22 GLN 93 2HE2 GLN 93 5.564 13.934 -7.670 732 H ARG 94 H ARG 94 4.940 7.951 -6.479 733 HA ARG 94 HA ARG 94 4.923 9.341 -3.963 734 HB2 ARG 94 2HB ARG 94 2.948 7.291 -5.065 735 HB3 ARG 94 3HB ARG 94 2.712 8.206 -3.582 736 HG2 ARG 94 2HG ARG 94 2.826 9.322 -6.398 737 HG3 ARG 94 3HG ARG 94 1.407 9.194 -5.368 738 HD2 ARG 94 2HD ARG 94 2.318 10.870 -3.841 739 HD3 ARG 94 3HD ARG 94 3.824 10.932 -4.769 740 HE ARG 94 HE ARG 94 1.422 11.543 -6.277 741 HH11 ARG 94 1HH1 ARG 94 4.066 12.935 -4.372 742 HH12 ARG 94 2HH1 ARG 94 3.871 14.511 -5.077 743 HH21 ARG 94 1HH2 ARG 94 1.217 13.626 -7.174 744 HH22 ARG 94 2HH2 ARG 94 2.274 14.898 -6.645 745 H VAL 95 H VAL 95 5.401 5.951 -4.956 746 HA VAL 95 HA VAL 95 5.619 4.754 -2.409 747 HB VAL 95 HB VAL 95 6.985 4.034 -5.051 748 HG11 VAL 95 1HG1 VAL 95 8.323 3.053 -3.233 749 HG12 VAL 95 2HG1 VAL 95 7.467 1.791 -4.117 750 HG13 VAL 95 3HG1 VAL 95 6.877 2.315 -2.538 751 HG21 VAL 95 3HG2 VAL 95 5.266 2.284 -5.240 752 HG22 VAL 95 1HG2 VAL 95 4.527 3.878 -5.096 753 HG23 VAL 95 2HG2 VAL 95 4.558 2.796 -3.707 754 H ARG 96 H ARG 96 8.162 6.132 -4.557 755 HA ARG 96 HA ARG 96 10.282 5.512 -2.761 756 HB2 ARG 96 2HB ARG 96 11.776 6.582 -4.305 757 HB3 ARG 96 3HB ARG 96 10.585 5.686 -5.236 758 HG2 ARG 96 2HG ARG 96 9.378 7.844 -5.657 759 HG3 ARG 96 3HG ARG 96 10.688 8.687 -4.832 760 HD2 ARG 96 2HD ARG 96 10.959 7.021 -7.362 761 HD3 ARG 96 3HD ARG 96 10.974 8.784 -7.268 762 HE ARG 96 HE ARG 96 12.998 7.577 -5.634 763 HH11 ARG 96 1HH1 ARG 96 12.329 8.602 -8.952 764 HH12 ARG 96 2HH1 ARG 96 14.007 8.771 -9.355 765 HH21 ARG 96 1HH2 ARG 96 15.180 7.779 -6.193 766 HH22 ARG 96 2HH2 ARG 96 15.624 8.302 -7.790 767 H GLU 97 H GLU 97 8.330 8.446 -3.254 768 HA GLU 97 HA GLU 97 10.018 10.103 -1.587 769 HB2 GLU 97 2HB GLU 97 8.511 11.902 -1.941 770 HB3 GLU 97 3HB GLU 97 8.560 11.026 -3.463 771 HG2 GLU 97 2HG GLU 97 6.385 9.926 -2.816 772 HG3 GLU 97 3HG GLU 97 6.335 10.970 -1.402 773 H PHE 98 H PHE 98 7.177 8.073 -1.111 774 HA PHE 98 HA PHE 98 6.489 8.916 1.514 775 HB2 PHE 98 2HB PHE 98 5.047 7.459 0.034 776 HB3 PHE 98 3HB PHE 98 6.157 6.122 0.313 777 HD1 PHE 98 HD1 PHE 98 3.658 8.356 1.896 778 HD2 PHE 98 HD2 PHE 98 6.053 4.844 2.406 779 HE1 PHE 98 HE1 PHE 98 2.398 7.777 3.922 780 HE2 PHE 98 HE2 PHE 98 4.779 4.285 4.436 781 HZ PHE 98 HZ PHE 98 2.958 5.751 5.189 782 H LEU 99 H LEU 99 8.770 6.507 0.252 783 HA LEU 99 HA LEU 99 9.620 5.518 2.796 784 HB2 LEU 99 2HB LEU 99 11.031 5.424 0.099 785 HB3 LEU 99 3HB LEU 99 11.519 4.509 1.517 786 HG LEU 99 HG LEU 99 8.883 4.166 0.019 787 HD11 LEU 99 1HD1 LEU 99 11.291 2.324 0.090 788 HD12 LEU 99 2HD1 LEU 99 10.774 3.316 -1.275 789 HD13 LEU 99 3HD1 LEU 99 9.750 1.998 -0.712 790 HD21 LEU 99 3HD2 LEU 99 8.574 3.692 2.393 791 HD22 LEU 99 1HD2 LEU 99 9.949 2.582 2.379 792 HD23 LEU 99 2HD2 LEU 99 8.493 2.204 1.454 793 H LYS 100 H LYS 100 10.332 8.451 1.111 794 HA LYS 100 HA LYS 100 12.856 8.988 2.520 795 HB2 LYS 100 2HB LYS 100 11.262 10.714 0.572 796 HB3 LYS 100 3HB LYS 100 12.765 11.216 1.339 797 HG2 LYS 100 2HG LYS 100 13.899 9.250 0.205 798 HG3 LYS 100 3HG LYS 100 12.402 8.987 -0.690 799 HD2 LYS 100 2HD LYS 100 14.096 11.524 -0.763 800 HD3 LYS 100 3HD LYS 100 14.029 10.297 -2.026 801 HE2 LYS 100 2HE LYS 100 11.679 10.813 -2.458 802 HE3 LYS 100 3HE LYS 100 11.656 11.967 -1.122 803 HZ1 LYS 100 3HZ LYS 100 13.310 13.293 -2.327 804 HZ2 LYS 100 1HZ LYS 100 11.885 13.104 -3.219 805 HZ3 LYS 100 2HZ LYS 100 13.258 12.203 -3.615 806 H THR 101 H THR 101 9.402 9.875 2.639 807 HA THR 101 HA THR 101 9.910 12.157 4.422 808 HB THR 101 HB THR 101 7.387 12.550 4.120 809 HG1 THR 101 HG1 THR 101 7.310 11.118 1.776 810 HG21 THR 101 3HG2 THR 101 9.077 12.619 1.590 811 HG22 THR 101 1HG2 THR 101 9.040 13.871 2.837 812 HG23 THR 101 2HG2 THR 101 7.601 13.543 1.871 813 H ALA 102 H ALA 102 7.802 9.237 4.275 814 HA ALA 102 HA ALA 102 7.206 9.282 7.089 815 HB1 ALA 102 3HB ALA 102 5.685 8.247 5.459 816 HB2 ALA 102 1HB ALA 102 6.162 7.092 6.703 817 HB3 ALA 102 2HB ALA 102 6.888 7.012 5.095 818 H GLY 103 H GLY 103 10.046 8.419 5.432 819 HA2 GLY 103 2HA GLY 103 11.137 6.673 7.468 820 HA3 GLY 103 3HA GLY 103 12.034 7.525 6.216 821 H SER 104 H SER 104 10.718 10.081 7.019 822 HA SER 104 HA SER 104 12.669 10.974 8.977 823 HB2 SER 104 2HB SER 104 12.263 12.259 6.890 824 HB3 SER 104 3HB SER 104 10.583 12.507 7.348 825 HG SER 104 HG SER 104 11.256 13.813 9.029 826 H LEU 105 H LEU 105 10.182 9.275 9.752 827 HA LEU 105 HA LEU 105 8.717 10.824 11.654 828 HB2 LEU 105 2HB LEU 105 9.273 7.825 11.645 829 HB3 LEU 105 3HB LEU 105 8.108 8.628 12.687 830 HG LEU 105 HG LEU 105 7.930 8.403 9.656 831 HD11 LEU 105 1HD1 LEU 105 5.978 6.962 10.063 832 HD12 LEU 105 2HD1 LEU 105 6.256 7.063 11.804 833 HD13 LEU 105 3HD1 LEU 105 7.447 6.281 10.762 834 HD21 LEU 105 3HD2 LEU 105 5.712 9.449 9.851 835 HD22 LEU 105 1HD2 LEU 105 6.997 10.538 10.375 836 HD23 LEU 105 2HD2 LEU 105 5.988 9.724 11.572 837 H GLU 106 H GLU 106 11.880 9.466 11.600 838 HA GLU 106 HA GLU 106 12.467 9.624 14.447 839 HB2 GLU 106 2HB GLU 106 14.295 9.224 12.041 840 HB3 GLU 106 3HB GLU 106 14.745 8.959 13.723 841 HG2 GLU 106 2HG GLU 106 13.279 7.049 13.905 842 HG3 GLU 106 3HG GLU 106 12.538 7.391 12.342 843 H HIS 107 H HIS 107 12.000 11.984 12.230 844 HA HIS 107 HA HIS 107 14.174 13.783 13.173 845 HB2 HIS 107 2HB HIS 107 14.318 13.036 10.741 846 HB3 HIS 107 3HB HIS 107 12.774 13.817 10.454 847 HD1 HIS 107 HD1 HIS 107 16.384 14.435 10.563 848 HD2 HIS 107 HD2 HIS 107 12.932 16.741 10.596 849 HE1 HIS 107 HE1 HIS 107 17.105 16.740 9.918 850 HE2 HIS 107 HE2 HIS 107 14.982 18.067 9.785 851 H HIS 108 H HIS 108 13.540 16.042 13.453 852 HA HIS 108 HA HIS 108 10.979 16.459 14.556 853 HB2 HIS 108 2HB HIS 108 12.966 17.808 15.200 854 HB3 HIS 108 3HB HIS 108 12.951 18.593 13.624 855 HD1 HIS 108 HD1 HIS 108 12.099 20.922 13.984 856 HD2 HIS 108 HD2 HIS 108 10.018 18.159 16.287 857 HE1 HIS 108 HE1 HIS 108 10.292 22.227 15.146 858 HE2 HIS 108 HE2 HIS 108 8.956 20.502 16.398 859 H HIS 109 H HIS 109 9.173 16.450 13.460 860 HA HIS 109 HA HIS 109 8.782 17.024 10.708 861 HB2 HIS 109 2HB HIS 109 6.764 16.862 12.997 862 HB3 HIS 109 3HB HIS 109 6.350 16.860 11.283 863 HD1 HIS 109 HD1 HIS 109 7.645 14.673 14.008 864 HD2 HIS 109 HD2 HIS 109 6.977 14.464 9.921 865 HE1 HIS 109 HE1 HIS 109 7.857 12.246 13.424 866 HE2 HIS 109 HE2 HIS 109 7.696 12.198 10.915 867 H HIS 110 H HIS 110 9.732 19.049 10.406 868 HA HIS 110 HA HIS 110 9.098 21.469 11.653 869 HB2 HIS 110 2HB HIS 110 10.076 22.541 9.624 870 HB3 HIS 110 3HB HIS 110 11.074 21.212 10.207 871 HD1 HIS 110 HD1 HIS 110 9.973 22.568 7.159 872 HD2 HIS 110 HD2 HIS 110 10.264 18.682 8.594 873 HE1 HIS 110 HE1 HIS 110 9.949 21.098 5.127 874 HE2 HIS 110 HE2 HIS 110 9.974 18.754 6.035 875 H HIS 111 H HIS 111 7.316 22.746 11.585 876 HA HIS 111 HA HIS 111 5.086 22.208 9.801 877 HB2 HIS 111 2HB HIS 111 3.992 24.175 10.971 878 HB3 HIS 111 3HB HIS 111 4.454 22.843 12.012 879 HD1 HIS 111 HD1 HIS 111 4.872 23.960 14.202 880 HD2 HIS 111 HD2 HIS 111 6.712 25.999 11.086 881 HE1 HIS 111 HE1 HIS 111 6.187 25.811 15.280 882 HE2 HIS 111 HE2 HIS 111 7.384 26.944 13.390 883 H HIS 112 H HIS 112 7.778 24.318 9.877 884 HA HIS 112 HA HIS 112 7.004 25.634 7.342 885 HB2 HIS 112 2HB HIS 112 7.236 27.327 9.087 886 HB3 HIS 112 3HB HIS 112 8.756 26.641 9.643 887 HD1 HIS 112 HD1 HIS 112 10.883 27.197 8.276 888 HD2 HIS 112 HD2 HIS 112 7.441 29.026 6.838 889 HE1 HIS 112 HE1 HIS 112 11.676 28.993 6.708 890 HE2 HIS 112 HE2 HIS 112 9.585 30.190 6.007 Start of MODEL 19 1 H1 MET 1 1H MET 1 6.595 3.095 15.755 2 H2 MET 1 2H MET 1 6.649 4.602 16.516 3 H3 MET 1 3H MET 1 7.781 4.213 15.320 4 HA MET 1 HA MET 1 4.880 4.538 14.956 5 HB2 MET 1 2HB MET 1 5.936 6.687 15.310 6 HB3 MET 1 3HB MET 1 7.230 6.302 14.187 7 HG2 MET 1 2HG MET 1 5.577 7.914 13.265 8 HG3 MET 1 3HG MET 1 5.722 6.447 12.300 9 HE1 MET 1 3HE MET 1 3.682 6.867 15.722 10 HE2 MET 1 1HE MET 1 2.093 7.284 15.082 11 HE3 MET 1 2HE MET 1 3.439 8.412 14.904 12 H GLY 2 H GLY 2 4.046 3.776 13.133 13 HA2 GLY 2 2HA GLY 2 5.751 2.949 10.872 14 HA3 GLY 2 3HA GLY 2 4.707 1.760 11.645 15 H LYS 3 H LYS 3 4.873 4.054 9.222 16 HA LYS 3 HA LYS 3 1.927 4.277 9.022 17 HB2 LYS 3 2HB LYS 3 2.966 6.486 9.220 18 HB3 LYS 3 3HB LYS 3 4.084 6.121 7.907 19 HG2 LYS 3 2HG LYS 3 2.238 6.034 6.307 20 HG3 LYS 3 3HG LYS 3 1.063 6.288 7.597 21 HD2 LYS 3 2HD LYS 3 3.222 8.288 6.848 22 HD3 LYS 3 3HD LYS 3 1.588 8.320 6.191 23 HE2 LYS 3 2HE LYS 3 0.740 8.525 8.574 24 HE3 LYS 3 3HE LYS 3 2.419 8.740 9.077 25 HZ1 LYS 3 3HZ LYS 3 0.973 10.470 7.138 26 HZ2 LYS 3 1HZ LYS 3 2.554 10.704 7.682 27 HZ3 LYS 3 2HZ LYS 3 1.263 10.854 8.759 28 H VAL 4 H VAL 4 0.977 3.337 7.336 29 HA VAL 4 HA VAL 4 2.540 2.090 5.185 30 HB VAL 4 HB VAL 4 -0.467 1.917 5.744 31 HG11 VAL 4 1HG1 VAL 4 1.291 0.198 3.957 32 HG12 VAL 4 2HG1 VAL 4 0.098 1.381 3.415 33 HG13 VAL 4 3HG1 VAL 4 -0.426 -0.067 4.276 34 HG21 VAL 4 3HG2 VAL 4 -0.040 -0.295 6.739 35 HG22 VAL 4 1HG2 VAL 4 0.790 0.980 7.636 36 HG23 VAL 4 2HG2 VAL 4 1.699 -0.060 6.537 37 H LEU 5 H LEU 5 2.434 2.840 3.064 38 HA LEU 5 HA LEU 5 0.567 4.998 2.355 39 HB2 LEU 5 2HB LEU 5 2.921 5.312 1.671 40 HB3 LEU 5 3HB LEU 5 2.900 3.765 0.835 41 HG LEU 5 HG LEU 5 1.152 4.678 -0.733 42 HD11 LEU 5 1HD1 LEU 5 0.753 7.090 -0.851 43 HD12 LEU 5 2HD1 LEU 5 1.691 7.327 0.627 44 HD13 LEU 5 3HD1 LEU 5 0.184 6.408 0.673 45 HD21 LEU 5 3HD2 LEU 5 3.501 4.641 -1.388 46 HD22 LEU 5 1HD2 LEU 5 3.748 6.232 -0.663 47 HD23 LEU 5 2HD2 LEU 5 2.683 6.050 -2.061 48 H LEU 6 H LEU 6 -1.393 4.186 1.793 49 HA LEU 6 HA LEU 6 -1.651 1.448 0.800 50 HB2 LEU 6 2HB LEU 6 -3.094 2.348 2.665 51 HB3 LEU 6 3HB LEU 6 -3.798 3.484 1.528 52 HG LEU 6 HG LEU 6 -4.677 1.529 0.194 53 HD11 LEU 6 1HD1 LEU 6 -4.736 -0.701 1.223 54 HD12 LEU 6 2HD1 LEU 6 -3.688 -0.133 2.524 55 HD13 LEU 6 3HD1 LEU 6 -3.089 -0.186 0.865 56 HD21 LEU 6 3HD2 LEU 6 -6.519 0.986 1.737 57 HD22 LEU 6 1HD2 LEU 6 -6.130 2.706 1.778 58 HD23 LEU 6 2HD2 LEU 6 -5.593 1.650 3.087 59 H VAL 7 H VAL 7 -1.042 1.457 -1.328 60 HA VAL 7 HA VAL 7 -1.855 3.567 -3.181 61 HB VAL 7 HB VAL 7 -0.138 1.076 -3.641 62 HG11 VAL 7 1HG1 VAL 7 -0.578 3.463 -5.474 63 HG12 VAL 7 2HG1 VAL 7 -1.144 1.811 -5.751 64 HG13 VAL 7 3HG1 VAL 7 0.587 2.163 -5.745 65 HG21 VAL 7 3HG2 VAL 7 0.911 2.631 -2.056 66 HG22 VAL 7 1HG2 VAL 7 0.725 3.956 -3.210 67 HG23 VAL 7 2HG2 VAL 7 1.792 2.601 -3.585 68 H ILE 8 H ILE 8 -3.856 3.391 -3.878 69 HA ILE 8 HA ILE 8 -5.066 0.791 -4.602 70 HB ILE 8 HB ILE 8 -6.507 3.400 -3.941 71 HG12 ILE 8 2HG1 ILE 8 -6.048 0.998 -2.127 72 HG13 ILE 8 3HG1 ILE 8 -5.313 2.584 -1.942 73 HG21 ILE 8 1HG2 ILE 8 -7.627 0.584 -4.195 74 HG22 ILE 8 2HG2 ILE 8 -7.816 1.872 -5.385 75 HG23 ILE 8 3HG2 ILE 8 -8.548 2.035 -3.787 76 HD11 ILE 8 3HD1 ILE 8 -7.114 2.282 -0.384 77 HD12 ILE 8 1HD1 ILE 8 -8.246 1.951 -1.695 78 HD13 ILE 8 2HD1 ILE 8 -7.513 3.551 -1.539 79 H SER 9 H SER 9 -5.707 0.529 -6.661 80 HA SER 9 HA SER 9 -6.487 2.723 -8.371 81 HB2 SER 9 2HB SER 9 -4.017 2.599 -8.785 82 HB3 SER 9 3HB SER 9 -4.181 0.897 -9.195 83 HG SER 9 HG SER 9 -4.770 3.148 -10.663 84 H THR 10 H THR 10 -7.887 1.981 -9.991 85 HA THR 10 HA THR 10 -8.996 -0.693 -9.578 86 HB THR 10 HB THR 10 -10.553 1.202 -9.657 87 HG1 THR 10 HG1 THR 10 -10.784 -0.976 -11.236 88 HG21 THR 10 3HG2 THR 10 -10.983 2.462 -11.735 89 HG22 THR 10 1HG2 THR 10 -9.624 1.648 -12.512 90 HG23 THR 10 2HG2 THR 10 -9.341 2.731 -11.145 91 H ASP 11 H ASP 11 -6.450 0.299 -11.244 92 HA ASP 11 HA ASP 11 -6.870 -1.503 -13.555 93 HB2 ASP 11 2HB ASP 11 -5.188 1.019 -13.308 94 HB3 ASP 11 3HB ASP 11 -5.048 -0.101 -14.655 95 H THR 12 H THR 12 -6.106 -3.361 -12.665 96 HA THR 12 HA THR 12 -4.006 -3.876 -10.981 97 HB THR 12 HB THR 12 -4.977 -5.597 -13.315 98 HG1 THR 12 HG1 THR 12 -5.988 -6.596 -11.251 99 HG21 THR 12 3HG2 THR 12 -3.433 -6.475 -10.836 100 HG22 THR 12 1HG2 THR 12 -2.796 -6.451 -12.483 101 HG23 THR 12 2HG2 THR 12 -4.116 -7.542 -12.063 102 H ASN 13 H ASN 13 -3.891 -3.428 -14.490 103 HA ASN 13 HA ASN 13 -1.244 -4.234 -15.009 104 HB2 ASN 13 2HB ASN 13 -3.005 -2.253 -16.530 105 HB3 ASN 13 3HB ASN 13 -1.490 -2.918 -17.140 106 HD21 ASN 13 1HD2 ASN 13 -2.552 -3.821 -18.915 107 HD22 ASN 13 2HD2 ASN 13 -3.545 -5.227 -18.783 108 H ILE 14 H ILE 14 -2.588 -1.072 -14.024 109 HA ILE 14 HA ILE 14 -0.169 0.424 -14.422 110 HB ILE 14 HB ILE 14 -2.598 1.049 -12.674 111 HG12 ILE 14 2HG1 ILE 14 -3.171 0.878 -15.093 112 HG13 ILE 14 3HG1 ILE 14 -3.373 2.514 -14.492 113 HG21 ILE 14 1HG2 ILE 14 -0.372 2.911 -13.551 114 HG22 ILE 14 2HG2 ILE 14 -0.662 2.328 -11.911 115 HG23 ILE 14 3HG2 ILE 14 -1.833 3.394 -12.689 116 HD11 ILE 14 3HD1 ILE 14 -1.077 1.519 -16.178 117 HD12 ILE 14 1HD1 ILE 14 -1.275 3.170 -15.585 118 HD13 ILE 14 2HD1 ILE 14 -2.438 2.493 -16.723 119 H ILE 15 H ILE 15 -1.794 -1.031 -11.609 120 HA ILE 15 HA ILE 15 0.001 -0.469 -9.549 121 HB ILE 15 HB ILE 15 -1.817 -2.896 -9.943 122 HG12 ILE 15 2HG1 ILE 15 -2.189 -0.322 -8.346 123 HG13 ILE 15 3HG1 ILE 15 -3.024 -0.749 -9.834 124 HG21 ILE 15 1HG2 ILE 15 -1.620 -3.334 -7.520 125 HG22 ILE 15 2HG2 ILE 15 -0.421 -2.050 -7.384 126 HG23 ILE 15 3HG2 ILE 15 -0.056 -3.493 -8.328 127 HD11 ILE 15 3HD1 ILE 15 -4.478 -1.034 -7.954 128 HD12 ILE 15 1HD1 ILE 15 -3.316 -2.096 -7.157 129 HD13 ILE 15 2HD1 ILE 15 -4.111 -2.614 -8.647 130 H SER 16 H SER 16 0.006 -3.073 -11.934 131 HA SER 16 HA SER 16 2.073 -4.658 -10.804 132 HB2 SER 16 2HB SER 16 0.932 -4.602 -13.634 133 HB3 SER 16 3HB SER 16 2.012 -5.849 -13.005 134 HG SER 16 HG SER 16 -0.378 -5.211 -11.665 135 H SER 17 H SER 17 2.032 -2.156 -13.352 136 HA SER 17 HA SER 17 4.733 -2.276 -14.124 137 HB2 SER 17 2HB SER 17 2.901 0.165 -14.062 138 HB3 SER 17 3HB SER 17 4.392 0.018 -14.999 139 HG SER 17 HG SER 17 3.074 -2.049 -15.735 140 H VAL 18 H VAL 18 3.138 -0.218 -11.722 141 HA VAL 18 HA VAL 18 5.389 1.195 -10.767 142 HB VAL 18 HB VAL 18 2.722 0.598 -9.403 143 HG11 VAL 18 1HG1 VAL 18 4.754 2.758 -8.761 144 HG12 VAL 18 2HG1 VAL 18 4.335 1.377 -7.746 145 HG13 VAL 18 3HG1 VAL 18 3.139 2.636 -8.061 146 HG21 VAL 18 3HG2 VAL 18 2.525 1.701 -11.635 147 HG22 VAL 18 1HG2 VAL 18 3.514 3.036 -11.040 148 HG23 VAL 18 2HG2 VAL 18 1.935 2.709 -10.316 149 H GLN 19 H GLN 19 3.884 -1.816 -9.780 150 HA GLN 19 HA GLN 19 5.179 -2.304 -7.323 151 HB2 GLN 19 2HB GLN 19 3.118 -3.468 -8.120 152 HB3 GLN 19 3HB GLN 19 4.056 -4.276 -9.366 153 HG2 GLN 19 2HG GLN 19 5.352 -5.427 -7.584 154 HG3 GLN 19 3HG GLN 19 4.323 -4.661 -6.376 155 HE21 GLN 19 1HE2 GLN 19 1.848 -4.936 -7.938 156 HE22 GLN 19 2HE2 GLN 19 1.449 -6.616 -7.917 157 H GLU 20 H GLU 20 5.896 -3.400 -10.643 158 HA GLU 20 HA GLU 20 8.260 -4.849 -9.975 159 HB2 GLU 20 2HB GLU 20 7.094 -3.888 -12.606 160 HB3 GLU 20 3HB GLU 20 8.588 -4.812 -12.525 161 HG2 GLU 20 2HG GLU 20 5.919 -5.778 -11.453 162 HG3 GLU 20 3HG GLU 20 6.565 -6.183 -13.040 163 H ARG 21 H ARG 21 7.668 -1.498 -10.951 164 HA ARG 21 HA ARG 21 10.350 -0.706 -11.413 165 HB2 ARG 21 2HB ARG 21 7.977 0.923 -10.400 166 HB3 ARG 21 3HB ARG 21 9.518 1.634 -10.847 167 HG2 ARG 21 2HG ARG 21 7.601 0.208 -12.710 168 HG3 ARG 21 3HG ARG 21 7.816 1.948 -12.579 169 HD2 ARG 21 2HD ARG 21 9.023 1.382 -14.505 170 HD3 ARG 21 3HD ARG 21 10.280 1.492 -13.270 171 HE ARG 21 HE ARG 21 9.370 -1.173 -13.439 172 HH11 ARG 21 1HH1 ARG 21 11.224 1.111 -15.411 173 HH12 ARG 21 2HH1 ARG 21 12.108 -0.140 -16.224 174 HH21 ARG 21 1HH2 ARG 21 10.518 -2.782 -14.557 175 HH22 ARG 21 2HH2 ARG 21 11.707 -2.337 -15.740 176 H ALA 22 H ALA 22 8.303 -0.581 -8.503 177 HA ALA 22 HA ALA 22 10.199 0.709 -6.823 178 HB1 ALA 22 3HB ALA 22 8.577 0.312 -5.032 179 HB2 ALA 22 1HB ALA 22 7.698 -0.834 -6.059 180 HB3 ALA 22 2HB ALA 22 7.763 0.874 -6.493 181 H LYS 23 H LYS 23 9.240 -2.711 -7.178 182 HA LYS 23 HA LYS 23 10.857 -3.679 -5.022 183 HB2 LYS 23 2HB LYS 23 9.537 -5.142 -7.337 184 HB3 LYS 23 3HB LYS 23 10.351 -5.948 -5.998 185 HG2 LYS 23 2HG LYS 23 8.726 -4.913 -4.415 186 HG3 LYS 23 3HG LYS 23 7.902 -4.170 -5.787 187 HD2 LYS 23 2HD LYS 23 6.690 -6.176 -5.099 188 HD3 LYS 23 3HD LYS 23 7.394 -6.428 -6.696 189 HE2 LYS 23 2HE LYS 23 9.201 -7.762 -5.711 190 HE3 LYS 23 3HE LYS 23 8.578 -7.443 -4.091 191 HZ1 LYS 23 3HZ LYS 23 6.531 -8.616 -4.714 192 HZ2 LYS 23 1HZ LYS 23 7.888 -9.614 -4.835 193 HZ3 LYS 23 2HZ LYS 23 7.184 -8.977 -6.226 194 H HIS 24 H HIS 24 11.574 -2.954 -8.375 195 HA HIS 24 HA HIS 24 13.963 -4.480 -8.615 196 HB2 HIS 24 2HB HIS 24 12.754 -3.563 -10.571 197 HB3 HIS 24 3HB HIS 24 13.126 -1.923 -10.054 198 HD1 HIS 24 HD1 HIS 24 14.519 -4.838 -11.886 199 HD2 HIS 24 HD2 HIS 24 15.883 -1.177 -10.453 200 HE1 HIS 24 HE1 HIS 24 16.748 -4.452 -12.992 201 HE2 HIS 24 HE2 HIS 24 17.586 -2.288 -12.036 202 H ASN 25 H ASN 25 13.348 -1.084 -7.672 203 HA ASN 25 HA ASN 25 16.150 -0.492 -7.262 204 HB2 ASN 25 2HB ASN 25 13.669 1.125 -6.525 205 HB3 ASN 25 3HB ASN 25 15.325 1.710 -6.402 206 HD21 ASN 25 1HD2 ASN 25 12.702 1.016 -8.554 207 HD22 ASN 25 2HD2 ASN 25 13.422 1.683 -9.975 208 H TYR 26 H TYR 26 13.315 -0.784 -5.137 209 HA TYR 26 HA TYR 26 14.879 -0.801 -2.692 210 HB2 TYR 26 2HB TYR 26 11.895 -1.137 -3.266 211 HB3 TYR 26 3HB TYR 26 12.575 -1.172 -1.638 212 HD1 TYR 26 HD1 TYR 26 13.645 0.865 -0.681 213 HD2 TYR 26 HD2 TYR 26 11.626 0.983 -4.448 214 HE1 TYR 26 HE1 TYR 26 13.637 3.311 -0.597 215 HE2 TYR 26 HE2 TYR 26 11.607 3.442 -4.353 216 HH TYR 26 HH TYR 26 13.500 5.182 -2.097 217 HA PRO 27 HA PRO 27 15.508 -5.206 -2.216 218 HB2 PRO 27 2HB PRO 27 14.908 -5.639 0.462 219 HB3 PRO 27 3HB PRO 27 16.407 -4.874 -0.104 220 HG2 PRO 27 2HG PRO 27 13.881 -3.550 0.863 221 HG3 PRO 27 3HG PRO 27 15.568 -3.202 1.308 222 HD2 PRO 27 2HD PRO 27 14.321 -1.663 -0.476 223 HD3 PRO 27 3HD PRO 27 16.023 -2.125 -0.735 224 H GLY 28 H GLY 28 12.385 -3.878 -1.712 225 HA2 GLY 28 2HA GLY 28 10.438 -4.813 -2.627 226 HA3 GLY 28 3HA GLY 28 11.140 -6.419 -2.503 227 H ARG 29 H ARG 29 11.960 -5.753 0.357 228 HA ARG 29 HA ARG 29 9.714 -6.935 1.630 229 HB2 ARG 29 2HB ARG 29 11.099 -6.729 3.705 230 HB3 ARG 29 3HB ARG 29 11.951 -7.469 2.358 231 HG2 ARG 29 2HG ARG 29 13.042 -5.268 1.904 232 HG3 ARG 29 3HG ARG 29 12.275 -4.628 3.358 233 HD2 ARG 29 2HD ARG 29 14.212 -6.967 3.294 234 HD3 ARG 29 3HD ARG 29 14.641 -5.310 3.703 235 HE ARG 29 HE ARG 29 12.680 -6.844 5.299 236 HH11 ARG 29 1HH1 ARG 29 15.694 -4.995 5.155 237 HH12 ARG 29 2HH1 ARG 29 15.876 -4.957 6.881 238 HH21 ARG 29 1HH2 ARG 29 12.957 -6.795 7.544 239 HH22 ARG 29 2HH2 ARG 29 14.326 -5.978 8.235 240 H TYR 30 H TYR 30 10.372 -3.672 0.974 241 HA TYR 30 HA TYR 30 8.570 -2.640 3.058 242 HB2 TYR 30 2HB TYR 30 10.421 -1.287 1.062 243 HB3 TYR 30 3HB TYR 30 9.226 -0.373 1.978 244 HD1 TYR 30 HD2 TYR 30 12.202 -2.610 2.368 245 HD2 TYR 30 HD1 TYR 30 9.690 0.296 4.233 246 HE1 TYR 30 HE2 TYR 30 13.739 -2.516 4.288 247 HE2 TYR 30 HE1 TYR 30 11.214 0.402 6.158 248 HH TYR 30 HH TYR 30 14.337 -0.923 6.127 249 H ILE 31 H ILE 31 8.471 -3.723 -0.149 250 HA ILE 31 HA ILE 31 5.874 -2.429 -0.697 251 HB ILE 31 HB ILE 31 7.799 -3.941 -2.519 252 HG12 ILE 31 2HG1 ILE 31 7.600 -1.796 -3.914 253 HG13 ILE 31 3HG1 ILE 31 6.745 -1.080 -2.557 254 HG21 ILE 31 1HG2 ILE 31 4.963 -3.085 -3.196 255 HG22 ILE 31 2HG2 ILE 31 5.572 -4.739 -3.120 256 HG23 ILE 31 3HG2 ILE 31 6.152 -3.642 -4.373 257 HD11 ILE 31 3HD1 ILE 31 9.079 -0.403 -2.636 258 HD12 ILE 31 1HD1 ILE 31 9.587 -2.089 -2.518 259 HD13 ILE 31 2HD1 ILE 31 8.737 -1.325 -1.172 260 H ARG 32 H ARG 32 4.088 -3.584 -0.269 261 HA ARG 32 HA ARG 32 4.120 -6.540 -0.366 262 HB2 ARG 32 2HB ARG 32 4.135 -5.904 1.986 263 HB3 ARG 32 3HB ARG 32 2.878 -4.700 1.728 264 HG2 ARG 32 2HG ARG 32 1.953 -6.628 2.867 265 HG3 ARG 32 3HG ARG 32 1.253 -6.504 1.255 266 HD2 ARG 32 2HD ARG 32 2.833 -8.266 0.478 267 HD3 ARG 32 3HD ARG 32 3.439 -8.431 2.129 268 HE ARG 32 HE ARG 32 0.830 -9.291 1.087 269 HH11 ARG 32 1HH1 ARG 32 2.949 -9.029 3.887 270 HH12 ARG 32 2HH1 ARG 32 2.038 -10.172 4.815 271 HH21 ARG 32 1HH2 ARG 32 -0.346 -10.773 2.326 272 HH22 ARG 32 2HH2 ARG 32 0.181 -11.153 3.941 273 H THR 33 H THR 33 2.174 -7.446 -1.163 274 HA THR 33 HA THR 33 0.202 -5.562 -2.319 275 HB THR 33 HB THR 33 -0.324 -7.451 -3.930 276 HG1 THR 33 HG1 THR 33 0.523 -9.240 -2.934 277 HG21 THR 33 3HG2 THR 33 1.115 -5.579 -4.645 278 HG22 THR 33 1HG2 THR 33 1.643 -7.100 -5.378 279 HG23 THR 33 2HG2 THR 33 2.534 -6.420 -4.016 280 H ALA 34 H ALA 34 -1.859 -5.756 -1.743 281 HA ALA 34 HA ALA 34 -2.761 -7.961 -0.000 282 HB1 ALA 34 3HB ALA 34 -3.779 -5.102 -0.133 283 HB2 ALA 34 1HB ALA 34 -2.753 -5.775 1.136 284 HB3 ALA 34 2HB ALA 34 -4.402 -6.371 0.925 285 H THR 35 H THR 35 -3.820 -9.376 -1.257 286 HA THR 35 HA THR 35 -5.766 -8.391 -3.264 287 HB THR 35 HB THR 35 -4.081 -9.938 -4.200 288 HG1 THR 35 HG1 THR 35 -6.690 -10.170 -4.430 289 HG21 THR 35 3HG2 THR 35 -3.568 -11.277 -2.195 290 HG22 THR 35 1HG2 THR 35 -4.011 -12.309 -3.559 291 HG23 THR 35 2HG2 THR 35 -5.174 -12.007 -2.266 292 H SER 36 H SER 36 -5.497 -9.729 -0.140 293 HA SER 36 HA SER 36 -8.390 -10.262 0.014 294 HB2 SER 36 2HB SER 36 -6.212 -12.164 1.003 295 HB3 SER 36 3HB SER 36 -7.946 -12.383 1.255 296 HG SER 36 HG SER 36 -7.787 -12.119 -1.285 297 H SER 37 H SER 37 -9.169 -10.318 2.234 298 HA SER 37 HA SER 37 -8.176 -8.316 3.963 299 HB2 SER 37 2HB SER 37 -9.939 -9.174 5.530 300 HB3 SER 37 3HB SER 37 -10.545 -8.912 3.892 301 HG SER 37 HG SER 37 -11.276 -10.890 4.358 302 H GLN 38 H GLN 38 -7.518 -11.732 3.740 303 HA GLN 38 HA GLN 38 -6.313 -12.114 6.279 304 HB2 GLN 38 2HB GLN 38 -5.986 -13.607 3.645 305 HB3 GLN 38 3HB GLN 38 -5.140 -14.083 5.112 306 HG2 GLN 38 2HG GLN 38 -7.077 -15.480 4.869 307 HG3 GLN 38 3HG GLN 38 -7.328 -14.413 6.246 308 HE21 GLN 38 1HE2 GLN 38 -7.767 -13.623 2.806 309 HE22 GLN 38 2HE2 GLN 38 -9.468 -13.357 2.912 310 H ASP 39 H ASP 39 -4.934 -11.187 3.062 311 HA ASP 39 HA ASP 39 -2.276 -10.777 3.768 312 HB2 ASP 39 2HB ASP 39 -3.995 -9.109 1.859 313 HB3 ASP 39 3HB ASP 39 -2.251 -8.904 2.022 314 H ILE 40 H ILE 40 -4.995 -8.493 3.886 315 HA ILE 40 HA ILE 40 -3.788 -6.197 4.835 316 HB ILE 40 HB ILE 40 -6.583 -7.338 5.185 317 HG12 ILE 40 2HG1 ILE 40 -5.539 -5.047 3.454 318 HG13 ILE 40 3HG1 ILE 40 -5.807 -6.692 2.891 319 HG21 ILE 40 1HG2 ILE 40 -7.400 -5.143 5.950 320 HG22 ILE 40 2HG2 ILE 40 -5.742 -4.552 6.046 321 HG23 ILE 40 3HG2 ILE 40 -6.273 -5.857 7.108 322 HD11 ILE 40 3HD1 ILE 40 -7.608 -5.285 2.192 323 HD12 ILE 40 1HD1 ILE 40 -7.904 -4.758 3.850 324 HD13 ILE 40 2HD1 ILE 40 -8.204 -6.435 3.387 325 H ARG 41 H ARG 41 -5.511 -8.610 6.842 326 HA ARG 41 HA ARG 41 -4.985 -7.673 9.375 327 HB2 ARG 41 2HB ARG 41 -5.395 -10.479 8.284 328 HB3 ARG 41 3HB ARG 41 -5.172 -10.213 10.009 329 HG2 ARG 41 2HG ARG 41 -7.333 -8.787 8.427 330 HG3 ARG 41 3HG ARG 41 -7.583 -10.375 9.153 331 HD2 ARG 41 2HD ARG 41 -6.822 -7.849 10.668 332 HD3 ARG 41 3HD ARG 41 -8.432 -8.581 10.609 333 HE ARG 41 HE ARG 41 -6.753 -10.586 11.471 334 HH11 ARG 41 1HH1 ARG 41 -7.682 -7.432 12.753 335 HH12 ARG 41 2HH1 ARG 41 -7.436 -7.919 14.401 336 HH21 ARG 41 1HH2 ARG 41 -6.455 -11.194 13.630 337 HH22 ARG 41 2HH2 ARG 41 -6.746 -10.041 14.897 338 H ASP 42 H ASP 42 -3.045 -9.954 7.480 339 HA ASP 42 HA ASP 42 -0.980 -10.491 9.297 340 HB2 ASP 42 2HB ASP 42 -1.451 -11.852 7.277 341 HB3 ASP 42 3HB ASP 42 -0.961 -10.525 6.241 342 H ILE 43 H ILE 43 -1.334 -7.896 6.885 343 HA ILE 43 HA ILE 43 1.312 -6.828 7.013 344 HB ILE 43 HB ILE 43 -1.325 -5.549 6.143 345 HG12 ILE 43 2HG1 ILE 43 0.899 -6.620 4.350 346 HG13 ILE 43 3HG1 ILE 43 -0.477 -7.596 4.841 347 HG21 ILE 43 1HG2 ILE 43 0.007 -3.848 4.961 348 HG22 ILE 43 2HG2 ILE 43 1.489 -4.532 5.624 349 HG23 ILE 43 3HG2 ILE 43 0.306 -3.787 6.702 350 HD11 ILE 43 3HD1 ILE 43 -0.826 -6.695 2.636 351 HD12 ILE 43 1HD1 ILE 43 -0.588 -5.051 3.233 352 HD13 ILE 43 2HD1 ILE 43 -1.986 -5.991 3.761 353 H ILE 44 H ILE 44 -1.752 -5.884 8.560 354 HA ILE 44 HA ILE 44 -0.750 -3.566 9.877 355 HB ILE 44 HB ILE 44 -3.335 -5.144 10.252 356 HG12 ILE 44 2HG1 ILE 44 -2.753 -2.541 8.751 357 HG13 ILE 44 3HG1 ILE 44 -2.985 -4.112 7.996 358 HG21 ILE 44 1HG2 ILE 44 -4.250 -3.158 11.420 359 HG22 ILE 44 2HG2 ILE 44 -2.657 -2.400 11.367 360 HG23 ILE 44 3HG2 ILE 44 -2.898 -3.869 12.311 361 HD11 ILE 44 3HD1 ILE 44 -4.951 -2.744 7.771 362 HD12 ILE 44 1HD1 ILE 44 -5.062 -2.553 9.521 363 HD13 ILE 44 2HD1 ILE 44 -5.296 -4.142 8.788 364 H LYS 45 H LYS 45 -1.011 -6.958 10.803 365 HA LYS 45 HA LYS 45 -0.346 -6.733 13.546 366 HB2 LYS 45 2HB LYS 45 0.153 -8.991 11.583 367 HB3 LYS 45 3HB LYS 45 0.471 -9.123 13.310 368 HG2 LYS 45 2HG LYS 45 -1.893 -8.766 13.809 369 HG3 LYS 45 3HG LYS 45 -2.243 -8.546 12.092 370 HD2 LYS 45 2HD LYS 45 -1.424 -10.895 11.693 371 HD3 LYS 45 3HD LYS 45 -1.251 -11.088 13.440 372 HE2 LYS 45 2HE LYS 45 -3.691 -10.651 13.692 373 HE3 LYS 45 3HE LYS 45 -3.832 -10.543 11.936 374 HZ1 LYS 45 3HZ LYS 45 -4.461 -12.725 12.684 375 HZ2 LYS 45 1HZ LYS 45 -2.996 -12.933 13.493 376 HZ3 LYS 45 2HZ LYS 45 -3.023 -12.853 11.808 377 H SER 46 H SER 46 1.636 -6.961 10.625 378 HA SER 46 HA SER 46 4.179 -7.012 11.883 379 HB2 SER 46 2HB SER 46 3.380 -6.086 9.096 380 HB3 SER 46 3HB SER 46 5.005 -6.540 9.610 381 HG SER 46 HG SER 46 2.935 -8.122 8.832 382 H MET 47 H MET 47 1.983 -4.415 10.909 383 HA MET 47 HA MET 47 3.886 -2.289 11.152 384 HB2 MET 47 2HB MET 47 0.845 -2.179 11.278 385 HB3 MET 47 3HB MET 47 1.910 -0.789 11.094 386 HG2 MET 47 2HG MET 47 1.481 -3.030 9.114 387 HG3 MET 47 3HG MET 47 1.009 -1.342 8.940 388 HE1 MET 47 3HE MET 47 3.666 0.165 10.043 389 HE2 MET 47 1HE MET 47 2.800 0.661 8.587 390 HE3 MET 47 2HE MET 47 4.542 0.394 8.531 391 H LYS 48 H LYS 48 2.208 -4.168 13.479 392 HA LYS 48 HA LYS 48 2.431 -2.217 15.641 393 HB2 LYS 48 2HB LYS 48 1.603 -5.141 15.784 394 HB3 LYS 48 3HB LYS 48 1.416 -3.934 17.057 395 HG2 LYS 48 2HG LYS 48 -0.126 -2.667 15.532 396 HG3 LYS 48 3HG LYS 48 -0.012 -4.008 14.386 397 HD2 LYS 48 2HD LYS 48 -1.024 -4.249 17.250 398 HD3 LYS 48 3HD LYS 48 -2.062 -4.093 15.835 399 HE2 LYS 48 2HE LYS 48 -1.271 -6.224 14.966 400 HE3 LYS 48 3HE LYS 48 -0.105 -6.376 16.280 401 HZ1 LYS 48 3HZ LYS 48 -1.949 -6.520 17.841 402 HZ2 LYS 48 1HZ LYS 48 -2.089 -7.719 16.654 403 HZ3 LYS 48 2HZ LYS 48 -3.062 -6.342 16.581 404 H ASP 49 H ASP 49 3.750 -5.437 14.853 405 HA ASP 49 HA ASP 49 5.516 -5.543 17.132 406 HB2 ASP 49 2HB ASP 49 4.406 -7.559 16.171 407 HB3 ASP 49 3HB ASP 49 5.341 -7.373 14.697 408 H ASN 50 H ASN 50 5.809 -4.365 13.909 409 HA ASN 50 HA ASN 50 8.774 -4.213 14.063 410 HB2 ASN 50 2HB ASN 50 8.112 -5.929 12.451 411 HB3 ASN 50 3HB ASN 50 6.961 -4.841 11.695 412 HD21 ASN 50 1HD2 ASN 50 7.785 -5.019 9.697 413 HD22 ASN 50 2HD2 ASN 50 9.331 -4.437 9.225 414 H GLY 51 H GLY 51 5.971 -2.863 12.290 415 HA2 GLY 51 2HA GLY 51 5.283 -0.680 12.019 416 HA3 GLY 51 3HA GLY 51 6.645 -0.119 12.974 417 H LYS 52 H LYS 52 7.864 1.225 11.811 418 HA LYS 52 HA LYS 52 9.136 2.208 10.224 419 HB2 LYS 52 2HB LYS 52 9.004 -0.469 8.790 420 HB3 LYS 52 3HB LYS 52 10.091 0.849 8.361 421 HG2 LYS 52 2HG LYS 52 11.167 0.642 10.614 422 HG3 LYS 52 3HG LYS 52 10.123 -0.743 10.951 423 HD2 LYS 52 2HD LYS 52 12.206 -0.546 8.739 424 HD3 LYS 52 3HD LYS 52 12.327 -1.514 10.208 425 HE2 LYS 52 2HE LYS 52 10.441 -2.903 9.466 426 HE3 LYS 52 3HE LYS 52 10.263 -1.908 8.019 427 HZ1 LYS 52 3HZ LYS 52 12.643 -3.552 8.707 428 HZ2 LYS 52 1HZ LYS 52 12.484 -2.580 7.333 429 HZ3 LYS 52 2HZ LYS 52 11.482 -3.924 7.538 430 HA PRO 53 HA PRO 53 6.435 3.620 6.779 431 HB2 PRO 53 2HB PRO 53 8.261 4.173 4.772 432 HB3 PRO 53 3HB PRO 53 7.962 5.259 6.142 433 HG2 PRO 53 2HG PRO 53 10.173 3.258 5.789 434 HG3 PRO 53 3HG PRO 53 10.256 4.935 6.382 435 HD2 PRO 53 2HD PRO 53 10.275 2.850 8.091 436 HD3 PRO 53 3HD PRO 53 9.445 4.367 8.503 437 H LEU 54 H LEU 54 5.235 2.316 5.503 438 HA LEU 54 HA LEU 54 6.497 0.095 4.013 439 HB2 LEU 54 2HB LEU 54 5.277 -0.532 6.253 440 HB3 LEU 54 3HB LEU 54 3.793 -0.159 5.396 441 HG LEU 54 HG LEU 54 4.447 -1.916 3.673 442 HD11 LEU 54 1HD1 LEU 54 6.146 -3.572 4.292 443 HD12 LEU 54 2HD1 LEU 54 6.586 -2.604 5.702 444 HD13 LEU 54 3HD1 LEU 54 6.846 -1.967 4.076 445 HD21 LEU 54 3HD2 LEU 54 3.767 -3.833 5.020 446 HD22 LEU 54 1HD2 LEU 54 2.802 -2.417 5.434 447 HD23 LEU 54 2HD2 LEU 54 4.102 -2.944 6.508 448 H VAL 55 H VAL 55 4.862 -0.763 2.344 449 HA VAL 55 HA VAL 55 3.061 1.269 1.230 450 HB VAL 55 HB VAL 55 5.289 0.001 -0.457 451 HG11 VAL 55 1HG1 VAL 55 4.394 1.366 -2.321 452 HG12 VAL 55 2HG1 VAL 55 3.064 1.896 -1.289 453 HG13 VAL 55 3HG1 VAL 55 3.210 0.194 -1.737 454 HG21 VAL 55 3HG2 VAL 55 6.146 2.283 -0.813 455 HG22 VAL 55 1HG2 VAL 55 6.165 1.865 0.903 456 HG23 VAL 55 2HG2 VAL 55 4.908 2.929 0.269 457 H VAL 56 H VAL 56 1.220 0.230 0.655 458 HA VAL 56 HA VAL 56 1.286 -2.673 0.068 459 HB VAL 56 HB VAL 56 -0.778 -1.192 1.768 460 HG11 VAL 56 1HG1 VAL 56 -1.955 -3.368 1.993 461 HG12 VAL 56 2HG1 VAL 56 -0.864 -4.074 0.798 462 HG13 VAL 56 3HG1 VAL 56 -1.970 -2.781 0.329 463 HG21 VAL 56 3HG2 VAL 56 1.268 -1.808 2.987 464 HG22 VAL 56 1HG2 VAL 56 1.099 -3.483 2.452 465 HG23 VAL 56 2HG2 VAL 56 -0.100 -2.777 3.539 466 H PHE 57 H PHE 57 0.771 -2.944 -1.963 467 HA PHE 57 HA PHE 57 -0.930 -1.140 -3.493 468 HB2 PHE 57 2HB PHE 57 0.610 -3.675 -4.226 469 HB3 PHE 57 3HB PHE 57 -0.369 -2.767 -5.371 470 HD1 PHE 57 HD2 PHE 57 2.729 -2.653 -3.304 471 HD2 PHE 57 HD1 PHE 57 0.450 -0.736 -6.373 472 HE1 PHE 57 HE2 PHE 57 4.645 -1.194 -3.830 473 HE2 PHE 57 HE1 PHE 57 2.367 0.705 -6.883 474 HZ PHE 57 HZ PHE 57 4.462 0.488 -5.613 475 H VAL 58 H VAL 58 -3.077 -1.434 -3.416 476 HA VAL 58 HA VAL 58 -4.353 -3.896 -2.579 477 HB VAL 58 HB VAL 58 -5.559 -1.318 -3.709 478 HG11 VAL 58 1HG1 VAL 58 -7.107 -3.207 -4.031 479 HG12 VAL 58 2HG1 VAL 58 -7.722 -2.100 -2.804 480 HG13 VAL 58 3HG1 VAL 58 -6.976 -3.626 -2.322 481 HG21 VAL 58 3HG2 VAL 58 -6.127 -0.785 -1.363 482 HG22 VAL 58 1HG2 VAL 58 -4.383 -0.945 -1.587 483 HG23 VAL 58 2HG2 VAL 58 -5.299 -2.249 -0.827 484 H ASN 59 H ASN 59 -3.570 -5.353 -4.099 485 HA ASN 59 HA ASN 59 -4.182 -4.958 -6.970 486 HB2 ASN 59 2HB ASN 59 -1.765 -5.009 -6.380 487 HB3 ASN 59 3HB ASN 59 -1.982 -6.562 -5.584 488 HD21 ASN 59 1HD2 ASN 59 -0.585 -7.718 -6.877 489 HD22 ASN 59 2HD2 ASN 59 -0.844 -7.999 -8.563 490 H GLY 60 H GLY 60 -5.985 -6.124 -7.453 491 HA2 GLY 60 2HA GLY 60 -7.256 -8.029 -7.843 492 HA3 GLY 60 3HA GLY 60 -6.128 -8.974 -6.880 493 H ALA 61 H ALA 61 -7.456 -6.039 -5.599 494 HA ALA 61 HA ALA 61 -9.408 -7.481 -3.896 495 HB1 ALA 61 3HB ALA 61 -7.350 -7.091 -2.607 496 HB2 ALA 61 1HB ALA 61 -8.678 -6.119 -1.974 497 HB3 ALA 61 2HB ALA 61 -7.425 -5.371 -2.971 498 H SER 62 H SER 62 -10.377 -5.218 -2.524 499 HA SER 62 HA SER 62 -11.471 -3.411 -4.567 500 HB2 SER 62 2HB SER 62 -13.825 -4.074 -4.052 501 HB3 SER 62 3HB SER 62 -12.918 -5.429 -4.722 502 HG SER 62 HG SER 62 -12.511 -5.780 -2.259 503 H GLN 63 H GLN 63 -13.080 -1.854 -3.516 504 HA GLN 63 HA GLN 63 -11.849 -0.543 -1.332 505 HB2 GLN 63 2HB GLN 63 -13.160 0.613 -3.131 506 HB3 GLN 63 3HB GLN 63 -14.640 -0.065 -2.466 507 HG2 GLN 63 2HG GLN 63 -14.415 2.245 -1.753 508 HG3 GLN 63 3HG GLN 63 -14.237 1.186 -0.353 509 HE21 GLN 63 1HE2 GLN 63 -13.047 2.583 0.890 510 HE22 GLN 63 2HE2 GLN 63 -11.454 3.116 0.492 511 H ASN 64 H ASN 64 -14.271 -3.013 -1.458 512 HA ASN 64 HA ASN 64 -15.612 -2.676 0.986 513 HB2 ASN 64 2HB ASN 64 -14.981 -5.307 -0.431 514 HB3 ASN 64 3HB ASN 64 -16.218 -5.073 0.805 515 HD21 ASN 64 1HD2 ASN 64 -17.983 -5.601 -0.456 516 HD22 ASN 64 2HD2 ASN 64 -18.475 -4.709 -1.851 517 H ASP 65 H ASP 65 -12.697 -4.530 0.225 518 HA ASP 65 HA ASP 65 -12.166 -5.213 3.017 519 HB2 ASP 65 2HB ASP 65 -10.102 -6.358 2.145 520 HB3 ASP 65 3HB ASP 65 -11.597 -6.938 1.434 521 H VAL 66 H VAL 66 -11.213 -2.729 0.743 522 HA VAL 66 HA VAL 66 -8.856 -1.777 2.047 523 HB VAL 66 HB VAL 66 -10.878 -0.383 0.242 524 HG11 VAL 66 1HG1 VAL 66 -9.323 1.540 0.076 525 HG12 VAL 66 2HG1 VAL 66 -8.338 0.849 1.366 526 HG13 VAL 66 3HG1 VAL 66 -9.989 1.374 1.701 527 HG21 VAL 66 3HG2 VAL 66 -7.992 -1.207 -0.213 528 HG22 VAL 66 1HG2 VAL 66 -9.046 -0.441 -1.404 529 HG23 VAL 66 2HG2 VAL 66 -9.412 -2.063 -0.813 530 H ASN 67 H ASN 67 -12.315 -1.095 2.510 531 HA ASN 67 HA ASN 67 -12.015 0.923 4.494 532 HB2 ASN 67 2HB ASN 67 -14.347 -0.948 3.913 533 HB3 ASN 67 3HB ASN 67 -14.418 0.348 5.106 534 HD21 ASN 67 1HD2 ASN 67 -15.958 -0.048 2.647 535 HD22 ASN 67 2HD2 ASN 67 -15.726 1.385 1.714 536 H GLU 68 H GLU 68 -12.127 -2.600 4.612 537 HA GLU 68 HA GLU 68 -12.142 -2.904 7.437 538 HB2 GLU 68 2HB GLU 68 -11.129 -4.772 5.251 539 HB3 GLU 68 3HB GLU 68 -11.219 -5.209 6.955 540 HG2 GLU 68 2HG GLU 68 -13.686 -4.802 6.876 541 HG3 GLU 68 3HG GLU 68 -13.537 -4.508 5.143 542 H PHE 69 H PHE 69 -9.525 -2.546 5.035 543 HA PHE 69 HA PHE 69 -7.308 -2.934 6.718 544 HB2 PHE 69 2HB PHE 69 -7.067 -2.774 4.252 545 HB3 PHE 69 3HB PHE 69 -7.541 -1.084 4.288 546 HD1 PHE 69 HD2 PHE 69 -5.956 0.639 5.177 547 HD2 PHE 69 HD1 PHE 69 -4.797 -3.467 4.845 548 HE1 PHE 69 HE2 PHE 69 -3.595 1.286 5.426 549 HE2 PHE 69 HE1 PHE 69 -2.432 -2.808 5.093 550 HZ PHE 69 HZ PHE 69 -1.836 -0.430 5.382 551 H GLN 70 H GLN 70 -9.021 0.043 5.815 552 HA GLN 70 HA GLN 70 -7.690 1.899 7.364 553 HB2 GLN 70 2HB GLN 70 -10.630 1.860 6.568 554 HB3 GLN 70 3HB GLN 70 -9.783 3.275 7.190 555 HG2 GLN 70 2HG GLN 70 -8.276 3.250 5.232 556 HG3 GLN 70 3HG GLN 70 -9.097 1.816 4.615 557 HE21 GLN 70 1HE2 GLN 70 -9.669 2.917 2.681 558 HE22 GLN 70 2HE2 GLN 70 -10.921 4.107 2.655 559 H ASN 71 H ASN 71 -10.505 -0.084 8.274 560 HA ASN 71 HA ASN 71 -10.907 1.004 10.875 561 HB2 ASN 71 2HB ASN 71 -11.804 -1.666 9.683 562 HB3 ASN 71 3HB ASN 71 -12.323 -1.080 11.264 563 HD21 ASN 71 1HD2 ASN 71 -13.868 -1.678 8.846 564 HD22 ASN 71 2HD2 ASN 71 -14.740 -0.236 8.473 565 H GLU 72 H GLU 72 -9.615 -2.207 9.966 566 HA GLU 72 HA GLU 72 -8.541 -3.010 12.318 567 HB2 GLU 72 2HB GLU 72 -7.482 -3.512 9.517 568 HB3 GLU 72 3HB GLU 72 -6.893 -4.362 10.937 569 HG2 GLU 72 2HG GLU 72 -9.647 -4.490 9.708 570 HG3 GLU 72 3HG GLU 72 -8.466 -5.790 9.860 571 H ALA 73 H ALA 73 -6.914 -0.804 10.009 572 HA ALA 73 HA ALA 73 -4.476 -0.644 11.415 573 HB1 ALA 73 3HB ALA 73 -4.728 0.043 9.072 574 HB2 ALA 73 1HB ALA 73 -4.035 1.338 10.046 575 HB3 ALA 73 2HB ALA 73 -5.735 1.406 9.569 576 H LYS 74 H LYS 74 -7.260 1.622 11.389 577 HA LYS 74 HA LYS 74 -6.147 3.475 13.193 578 HB2 LYS 74 2HB LYS 74 -8.311 4.561 13.256 579 HB3 LYS 74 3HB LYS 74 -7.997 4.013 11.615 580 HG2 LYS 74 2HG LYS 74 -9.495 2.080 11.975 581 HG3 LYS 74 3HG LYS 74 -9.828 2.640 13.612 582 HD2 LYS 74 2HD LYS 74 -10.498 4.172 11.063 583 HD3 LYS 74 3HD LYS 74 -11.639 3.204 11.995 584 HE2 LYS 74 2HE LYS 74 -10.199 5.682 13.000 585 HE3 LYS 74 3HE LYS 74 -11.881 5.602 12.484 586 HZ1 LYS 74 3HZ LYS 74 -10.685 4.225 14.828 587 HZ2 LYS 74 1HZ LYS 74 -12.275 3.998 14.293 588 HZ3 LYS 74 2HZ LYS 74 -11.780 5.509 14.851 589 H LYS 75 H LYS 75 -7.889 0.478 13.873 590 HA LYS 75 HA LYS 75 -8.551 1.178 16.612 591 HB2 LYS 75 2HB LYS 75 -9.351 -1.126 16.850 592 HB3 LYS 75 3HB LYS 75 -9.962 -0.425 15.357 593 HG2 LYS 75 2HG LYS 75 -8.307 -1.671 14.055 594 HG3 LYS 75 3HG LYS 75 -7.600 -2.309 15.539 595 HD2 LYS 75 2HD LYS 75 -9.018 -3.999 14.478 596 HD3 LYS 75 3HD LYS 75 -9.689 -3.521 16.037 597 HE2 LYS 75 2HE LYS 75 -11.328 -2.075 14.858 598 HE3 LYS 75 3HE LYS 75 -10.657 -2.599 13.310 599 HZ1 LYS 75 3HZ LYS 75 -11.311 -4.866 13.816 600 HZ2 LYS 75 1HZ LYS 75 -12.659 -3.845 13.911 601 HZ3 LYS 75 2HZ LYS 75 -11.917 -4.397 15.324 602 H GLU 76 H GLU 76 -5.929 -0.512 14.970 603 HA GLU 76 HA GLU 76 -4.552 -1.246 17.441 604 HB2 GLU 76 2HB GLU 76 -3.518 -1.385 14.577 605 HB3 GLU 76 3HB GLU 76 -2.869 -2.227 15.977 606 HG2 GLU 76 2HG GLU 76 -5.547 -2.741 14.662 607 HG3 GLU 76 3HG GLU 76 -4.110 -3.744 14.517 608 H GLY 77 H GLY 77 -4.962 1.606 15.830 609 HA2 GLY 77 2HA GLY 77 -3.986 3.666 16.127 610 HA3 GLY 77 3HA GLY 77 -2.714 2.916 17.073 611 H VAL 78 H VAL 78 -2.946 1.308 14.134 612 HA VAL 78 HA VAL 78 -0.405 2.165 13.204 613 HB VAL 78 HB VAL 78 -2.593 0.560 11.792 614 HG11 VAL 78 1HG1 VAL 78 0.311 0.880 10.953 615 HG12 VAL 78 2HG1 VAL 78 -1.092 1.524 10.099 616 HG13 VAL 78 3HG1 VAL 78 -0.860 -0.221 10.217 617 HG21 VAL 78 3HG2 VAL 78 -1.249 -1.416 12.394 618 HG22 VAL 78 1HG2 VAL 78 -1.738 -0.516 13.833 619 HG23 VAL 78 2HG2 VAL 78 -0.086 -0.381 13.225 620 H SER 79 H SER 79 0.151 3.842 11.907 621 HA SER 79 HA SER 79 -1.834 5.715 10.931 622 HB2 SER 79 2HB SER 79 1.209 5.706 10.664 623 HB3 SER 79 3HB SER 79 0.151 7.061 10.247 624 HG SER 79 HG SER 79 -0.585 6.779 12.557 625 H TYR 80 H TYR 80 -2.176 6.240 8.725 626 HA TYR 80 HA TYR 80 -0.843 4.848 6.579 627 HB2 TYR 80 2HB TYR 80 -2.856 3.743 5.648 628 HB3 TYR 80 3HB TYR 80 -2.472 3.094 7.234 629 HD1 TYR 80 HD1 TYR 80 -3.893 3.824 9.242 630 HD2 TYR 80 HD2 TYR 80 -5.022 4.733 5.217 631 HE1 TYR 80 HE1 TYR 80 -6.196 4.247 9.982 632 HE2 TYR 80 HE2 TYR 80 -7.330 5.161 5.969 633 HH TYR 80 HH TYR 80 -8.812 4.544 7.868 634 H ASP 81 H ASP 81 -1.183 5.862 4.587 635 HA ASP 81 HA ASP 81 -3.181 8.048 4.430 636 HB2 ASP 81 2HB ASP 81 -0.269 8.124 3.577 637 HB3 ASP 81 3HB ASP 81 -1.449 9.129 2.744 638 H VAL 82 H VAL 82 -4.559 7.773 2.862 639 HA VAL 82 HA VAL 82 -4.306 5.497 1.079 640 HB VAL 82 HB VAL 82 -6.678 7.355 1.600 641 HG11 VAL 82 1HG1 VAL 82 -6.600 4.711 0.110 642 HG12 VAL 82 2HG1 VAL 82 -6.846 6.301 -0.613 643 HG13 VAL 82 3HG1 VAL 82 -8.055 5.637 0.487 644 HG21 VAL 82 3HG2 VAL 82 -7.595 5.516 2.975 645 HG22 VAL 82 1HG2 VAL 82 -6.040 6.063 3.613 646 HG23 VAL 82 2HG2 VAL 82 -6.136 4.562 2.690 647 H LEU 83 H LEU 83 -3.655 5.684 -0.912 648 HA LEU 83 HA LEU 83 -3.743 8.232 -2.418 649 HB2 LEU 83 2HB LEU 83 -1.452 7.472 -1.995 650 HB3 LEU 83 3HB LEU 83 -1.841 5.848 -2.535 651 HG LEU 83 HG LEU 83 -2.180 6.749 -4.862 652 HD11 LEU 83 1HD1 LEU 83 -1.323 8.959 -5.465 653 HD12 LEU 83 2HD1 LEU 83 -1.062 9.338 -3.760 654 HD13 LEU 83 3HD1 LEU 83 -2.699 9.072 -4.367 655 HD21 LEU 83 3HD2 LEU 83 0.199 6.982 -5.403 656 HD22 LEU 83 1HD2 LEU 83 -0.074 5.674 -4.251 657 HD23 LEU 83 2HD2 LEU 83 0.578 7.218 -3.694 658 H LYS 84 H LYS 84 -5.477 8.133 -3.798 659 HA LYS 84 HA LYS 84 -5.987 5.582 -5.241 660 HB2 LYS 84 2HB LYS 84 -8.097 7.619 -4.394 661 HB3 LYS 84 3HB LYS 84 -8.395 6.196 -5.387 662 HG2 LYS 84 2HG LYS 84 -7.486 4.825 -3.408 663 HG3 LYS 84 3HG LYS 84 -7.632 6.298 -2.459 664 HD2 LYS 84 2HD LYS 84 -9.967 5.008 -3.930 665 HD3 LYS 84 3HD LYS 84 -9.553 4.639 -2.259 666 HE2 LYS 84 2HE LYS 84 -11.348 6.230 -2.237 667 HE3 LYS 84 3HE LYS 84 -9.896 7.075 -1.708 668 HZ1 LYS 84 3HZ LYS 84 -11.285 8.347 -3.268 669 HZ2 LYS 84 1HZ LYS 84 -11.005 7.194 -4.463 670 HZ3 LYS 84 2HZ LYS 84 -9.722 8.114 -3.852 671 H SER 85 H SER 85 -5.068 5.882 -7.098 672 HA SER 85 HA SER 85 -5.980 7.875 -8.969 673 HB2 SER 85 2HB SER 85 -3.593 8.711 -9.484 674 HB3 SER 85 3HB SER 85 -4.337 9.319 -8.007 675 HG SER 85 HG SER 85 -2.057 8.421 -7.985 676 H THR 86 H THR 86 -5.474 7.406 -11.097 677 HA THR 86 HA THR 86 -4.374 4.707 -11.648 678 HB THR 86 HB THR 86 -5.990 4.734 -13.639 679 HG1 THR 86 HG1 THR 86 -6.399 7.007 -13.620 680 HG21 THR 86 3HG2 THR 86 -8.008 4.172 -12.307 681 HG22 THR 86 1HG2 THR 86 -7.251 4.863 -10.875 682 HG23 THR 86 2HG2 THR 86 -6.553 3.429 -11.637 683 H ASP 87 H ASP 87 -2.292 5.463 -12.054 684 HA ASP 87 HA ASP 87 -1.643 6.635 -14.553 685 HB2 ASP 87 2HB ASP 87 -2.453 8.699 -13.331 686 HB3 ASP 87 3HB ASP 87 -1.183 8.452 -12.139 687 HA PRO 88 HA PRO 88 1.647 3.954 -13.146 688 HB2 PRO 88 2HB PRO 88 3.430 4.293 -15.243 689 HB3 PRO 88 3HB PRO 88 1.972 3.287 -15.325 690 HG2 PRO 88 2HG PRO 88 2.361 6.100 -16.290 691 HG3 PRO 88 3HG PRO 88 1.562 4.735 -17.099 692 HD2 PRO 88 2HD PRO 88 0.126 6.645 -15.861 693 HD3 PRO 88 3HD PRO 88 -0.388 4.938 -15.821 694 H GLU 89 H GLU 89 2.530 7.319 -14.058 695 HA GLU 89 HA GLU 89 5.159 6.999 -12.760 696 HB2 GLU 89 2HB GLU 89 5.742 9.201 -13.663 697 HB3 GLU 89 3HB GLU 89 5.188 8.112 -14.923 698 HG2 GLU 89 2HG GLU 89 2.982 9.272 -14.912 699 HG3 GLU 89 3HG GLU 89 3.610 10.395 -13.710 700 H GLU 90 H GLU 90 2.023 8.407 -12.165 701 HA GLU 90 HA GLU 90 2.693 10.127 -9.993 702 HB2 GLU 90 2HB GLU 90 0.562 10.433 -11.057 703 HB3 GLU 90 3HB GLU 90 0.141 8.736 -10.875 704 HG2 GLU 90 2HG GLU 90 -1.189 10.055 -9.358 705 HG3 GLU 90 3HG GLU 90 -0.079 9.045 -8.438 706 H LEU 91 H LEU 91 1.426 6.787 -10.149 707 HA LEU 91 HA LEU 91 1.358 6.359 -7.345 708 HB2 LEU 91 2HB LEU 91 1.513 4.346 -9.614 709 HB3 LEU 91 3HB LEU 91 1.239 3.904 -7.938 710 HG LEU 91 HG LEU 91 -0.642 5.541 -9.693 711 HD11 LEU 91 1HD1 LEU 91 -2.148 3.624 -9.533 712 HD12 LEU 91 2HD1 LEU 91 -0.968 2.746 -8.555 713 HD13 LEU 91 3HD1 LEU 91 -0.605 3.139 -10.236 714 HD21 LEU 91 3HD2 LEU 91 -2.230 5.476 -7.835 715 HD22 LEU 91 1HD2 LEU 91 -0.754 6.319 -7.365 716 HD23 LEU 91 2HD2 LEU 91 -1.036 4.667 -6.814 717 H THR 92 H THR 92 3.883 5.744 -9.799 718 HA THR 92 HA THR 92 5.715 4.320 -8.203 719 HB THR 92 HB THR 92 6.248 6.069 -10.647 720 HG1 THR 92 HG1 THR 92 4.833 4.099 -10.755 721 HG21 THR 92 3HG2 THR 92 8.328 4.752 -10.937 722 HG22 THR 92 1HG2 THR 92 8.028 3.944 -9.396 723 HG23 THR 92 2HG2 THR 92 8.365 5.675 -9.432 724 H GLN 93 H GLN 93 5.494 7.840 -8.904 725 HA GLN 93 HA GLN 93 7.889 8.496 -7.542 726 HB2 GLN 93 2HB GLN 93 7.290 10.826 -7.801 727 HB3 GLN 93 3HB GLN 93 6.916 9.957 -9.279 728 HG2 GLN 93 2HG GLN 93 4.521 9.925 -8.623 729 HG3 GLN 93 3HG GLN 93 4.916 10.887 -7.200 730 HE21 GLN 93 1HE2 GLN 93 4.649 10.887 -10.686 731 HE22 GLN 93 2HE2 GLN 93 4.643 12.603 -10.881 732 H ARG 94 H ARG 94 4.497 8.283 -6.485 733 HA ARG 94 HA ARG 94 4.933 9.557 -3.955 734 HB2 ARG 94 2HB ARG 94 2.688 7.665 -4.756 735 HB3 ARG 94 3HB ARG 94 2.698 8.693 -3.326 736 HG2 ARG 94 2HG ARG 94 2.654 9.617 -6.212 737 HG3 ARG 94 3HG ARG 94 1.322 9.701 -5.068 738 HD2 ARG 94 2HD ARG 94 2.473 11.391 -3.759 739 HD3 ARG 94 3HD ARG 94 3.947 11.190 -4.716 740 HE ARG 94 HE ARG 94 1.532 12.038 -6.122 741 HH11 ARG 94 1HH1 ARG 94 4.631 13.035 -4.739 742 HH12 ARG 94 2HH1 ARG 94 4.663 14.521 -5.641 743 HH21 ARG 94 1HH2 ARG 94 1.636 13.930 -7.315 744 HH22 ARG 94 2HH2 ARG 94 2.966 15.025 -7.098 745 H VAL 95 H VAL 95 4.982 6.141 -4.972 746 HA VAL 95 HA VAL 95 5.302 4.920 -2.443 747 HB VAL 95 HB VAL 95 6.215 4.029 -5.218 748 HG11 VAL 95 1HG1 VAL 95 6.496 1.740 -4.310 749 HG12 VAL 95 2HG1 VAL 95 6.223 2.356 -2.679 750 HG13 VAL 95 3HG1 VAL 95 7.641 2.877 -3.591 751 HG21 VAL 95 3HG2 VAL 95 3.772 4.207 -4.918 752 HG22 VAL 95 1HG2 VAL 95 3.857 3.121 -3.532 753 HG23 VAL 95 2HG2 VAL 95 4.269 2.529 -5.144 754 H ARG 96 H ARG 96 7.715 5.924 -4.844 755 HA ARG 96 HA ARG 96 9.930 4.999 -3.315 756 HB2 ARG 96 2HB ARG 96 11.304 5.780 -5.131 757 HB3 ARG 96 3HB ARG 96 9.869 5.019 -5.792 758 HG2 ARG 96 2HG ARG 96 8.897 7.297 -6.181 759 HG3 ARG 96 3HG ARG 96 10.428 7.996 -5.651 760 HD2 ARG 96 2HD ARG 96 11.594 6.818 -7.501 761 HD3 ARG 96 3HD ARG 96 10.051 6.139 -8.035 762 HE ARG 96 HE ARG 96 9.707 8.884 -7.981 763 HH11 ARG 96 1HH1 ARG 96 11.811 6.658 -9.748 764 HH12 ARG 96 2HH1 ARG 96 11.946 7.711 -11.120 765 HH21 ARG 96 1HH2 ARG 96 9.935 10.240 -9.770 766 HH22 ARG 96 2HH2 ARG 96 10.886 9.731 -11.130 767 H GLU 97 H GLU 97 8.491 8.246 -3.802 768 HA GLU 97 HA GLU 97 10.468 9.642 -2.336 769 HB2 GLU 97 2HB GLU 97 9.044 11.540 -2.301 770 HB3 GLU 97 3HB GLU 97 8.721 10.729 -3.824 771 HG2 GLU 97 2HG GLU 97 6.655 9.745 -2.795 772 HG3 GLU 97 3HG GLU 97 6.964 10.713 -1.356 773 H PHE 98 H PHE 98 7.414 8.064 -1.294 774 HA PHE 98 HA PHE 98 7.344 8.844 1.375 775 HB2 PHE 98 2HB PHE 98 5.500 7.671 0.207 776 HB3 PHE 98 3HB PHE 98 6.451 6.197 0.147 777 HD1 PHE 98 HD1 PHE 98 4.798 8.591 2.492 778 HD2 PHE 98 HD2 PHE 98 6.373 4.645 1.969 779 HE1 PHE 98 HE1 PHE 98 3.849 7.914 4.662 780 HE2 PHE 98 HE2 PHE 98 5.419 3.985 4.138 781 HZ PHE 98 HZ PHE 98 4.160 5.612 5.481 782 H LEU 99 H LEU 99 9.011 6.060 -0.096 783 HA LEU 99 HA LEU 99 9.859 4.938 2.402 784 HB2 LEU 99 2HB LEU 99 10.691 4.377 -0.459 785 HB3 LEU 99 3HB LEU 99 11.279 3.450 0.914 786 HG LEU 99 HG LEU 99 8.349 3.666 0.103 787 HD11 LEU 99 1HD1 LEU 99 8.549 1.335 -0.651 788 HD12 LEU 99 2HD1 LEU 99 10.281 1.365 -0.309 789 HD13 LEU 99 3HD1 LEU 99 9.610 2.407 -1.565 790 HD21 LEU 99 3HD2 LEU 99 7.970 1.865 1.742 791 HD22 LEU 99 1HD2 LEU 99 8.615 3.313 2.515 792 HD23 LEU 99 2HD2 LEU 99 9.668 1.929 2.217 793 H LYS 100 H LYS 100 11.208 7.397 0.347 794 HA LYS 100 HA LYS 100 13.861 7.292 1.599 795 HB2 LYS 100 2HB LYS 100 12.720 9.286 -0.403 796 HB3 LYS 100 3HB LYS 100 14.361 9.330 0.233 797 HG2 LYS 100 2HG LYS 100 14.653 6.988 -0.763 798 HG3 LYS 100 3HG LYS 100 13.138 7.273 -1.619 799 HD2 LYS 100 2HD LYS 100 15.700 8.900 -1.862 800 HD3 LYS 100 3HD LYS 100 15.037 7.801 -3.071 801 HE2 LYS 100 2HE LYS 100 13.811 10.424 -2.152 802 HE3 LYS 100 3HE LYS 100 14.582 10.110 -3.704 803 HZ1 LYS 100 3HZ LYS 100 12.831 8.533 -4.216 804 HZ2 LYS 100 1HZ LYS 100 12.193 10.063 -3.894 805 HZ3 LYS 100 2HZ LYS 100 12.080 8.839 -2.734 806 H THR 101 H THR 101 10.805 8.982 1.918 807 HA THR 101 HA THR 101 11.906 11.270 3.345 808 HB THR 101 HB THR 101 9.062 10.537 2.509 809 HG1 THR 101 HG1 THR 101 10.597 12.715 1.547 810 HG21 THR 101 3HG2 THR 101 8.398 12.831 3.106 811 HG22 THR 101 1HG2 THR 101 10.004 13.146 3.762 812 HG23 THR 101 2HG2 THR 101 8.952 11.957 4.534 813 H ALA 102 H ALA 102 9.334 8.856 4.007 814 HA ALA 102 HA ALA 102 9.103 9.519 6.743 815 HB1 ALA 102 3HB ALA 102 7.526 7.636 6.867 816 HB2 ALA 102 1HB ALA 102 8.100 7.039 5.304 817 HB3 ALA 102 2HB ALA 102 7.256 8.586 5.405 818 H GLY 103 H GLY 103 11.649 7.864 5.380 819 HA2 GLY 103 2HA GLY 103 12.348 5.917 7.269 820 HA3 GLY 103 3HA GLY 103 13.474 6.864 6.315 821 H SER 104 H SER 104 12.620 9.427 7.391 822 HA SER 104 HA SER 104 12.896 9.542 10.230 823 HB2 SER 104 2HB SER 104 15.140 10.634 10.332 824 HB3 SER 104 3HB SER 104 15.254 8.971 9.755 825 HG SER 104 HG SER 104 15.627 9.687 7.733 826 H LEU 105 H LEU 105 12.992 11.071 7.094 827 HA LEU 105 HA LEU 105 12.941 13.808 7.922 828 HB2 LEU 105 2HB LEU 105 11.977 12.791 5.229 829 HB3 LEU 105 3HB LEU 105 12.710 14.344 5.603 830 HG LEU 105 HG LEU 105 14.190 11.689 5.670 831 HD11 LEU 105 1HD1 LEU 105 14.209 13.781 3.482 832 HD12 LEU 105 2HD1 LEU 105 13.479 12.172 3.401 833 HD13 LEU 105 3HD1 LEU 105 15.227 12.336 3.560 834 HD21 LEU 105 3HD2 LEU 105 15.201 13.342 7.144 835 HD22 LEU 105 1HD2 LEU 105 15.269 14.518 5.827 836 HD23 LEU 105 2HD2 LEU 105 16.232 13.039 5.749 837 H GLU 106 H GLU 106 11.246 14.092 9.350 838 HA GLU 106 HA GLU 106 8.563 13.194 8.734 839 HB2 GLU 106 2HB GLU 106 7.984 14.121 10.970 840 HB3 GLU 106 3HB GLU 106 9.316 12.974 11.019 841 HG2 GLU 106 2HG GLU 106 10.916 14.891 11.134 842 HG3 GLU 106 3HG GLU 106 9.542 15.995 11.200 843 H HIS 107 H HIS 107 7.306 14.298 7.393 844 HA HIS 107 HA HIS 107 7.400 17.243 7.212 845 HB2 HIS 107 2HB HIS 107 6.140 15.089 5.468 846 HB3 HIS 107 3HB HIS 107 5.767 16.797 5.252 847 HD1 HIS 107 HD1 HIS 107 7.099 17.746 3.393 848 HD2 HIS 107 HD2 HIS 107 9.267 14.899 5.509 849 HE1 HIS 107 HE1 HIS 107 9.358 17.659 2.305 850 HE2 HIS 107 HE2 HIS 107 10.622 15.891 3.552 851 H HIS 108 H HIS 108 6.489 15.928 9.536 852 HA HIS 108 HA HIS 108 3.628 16.644 9.767 853 HB2 HIS 108 2HB HIS 108 4.261 14.228 10.195 854 HB3 HIS 108 3HB HIS 108 5.309 14.763 11.500 855 HD1 HIS 108 HD1 HIS 108 4.256 14.508 13.712 856 HD2 HIS 108 HD2 HIS 108 1.410 15.113 10.742 857 HE1 HIS 108 HE1 HIS 108 2.035 14.284 14.848 858 HE2 HIS 108 HE2 HIS 108 0.349 14.879 13.084 859 H HIS 109 H HIS 109 3.150 18.220 11.363 860 HA HIS 109 HA HIS 109 3.488 20.177 12.480 861 HB2 HIS 109 2HB HIS 109 5.961 18.737 13.542 862 HB3 HIS 109 3HB HIS 109 5.532 20.365 14.046 863 HD1 HIS 109 HD1 HIS 109 4.639 20.208 16.343 864 HD2 HIS 109 HD2 HIS 109 3.311 17.059 13.981 865 HE1 HIS 109 HE1 HIS 109 3.108 18.867 17.807 866 HE2 HIS 109 HE2 HIS 109 2.535 16.846 16.433 867 H HIS 110 H HIS 110 4.493 19.738 9.741 868 HA HIS 110 HA HIS 110 6.199 22.104 9.498 869 HB2 HIS 110 2HB HIS 110 7.780 20.189 9.552 870 HB3 HIS 110 3HB HIS 110 6.910 19.419 8.231 871 HD1 HIS 110 HD1 HIS 110 7.140 20.524 5.867 872 HD2 HIS 110 HD2 HIS 110 9.611 22.168 8.772 873 HE1 HIS 110 HE1 HIS 110 8.835 21.873 4.618 874 HE2 HIS 110 HE2 HIS 110 10.410 22.728 6.378 875 H HIS 111 H HIS 111 4.263 23.024 8.741 876 HA HIS 111 HA HIS 111 4.069 22.955 5.862 877 HB2 HIS 111 2HB HIS 111 1.654 22.297 7.588 878 HB3 HIS 111 3HB HIS 111 1.454 23.075 6.025 879 HD1 HIS 111 HD1 HIS 111 1.113 19.904 7.369 880 HD2 HIS 111 HD2 HIS 111 3.084 21.323 4.001 881 HE1 HIS 111 HE1 HIS 111 1.375 17.918 5.857 882 HE2 HIS 111 HE2 HIS 111 2.400 18.848 3.762 883 H HIS 112 H HIS 112 3.453 24.957 5.021 884 HA HIS 112 HA HIS 112 2.783 27.116 6.912 885 HB2 HIS 112 2HB HIS 112 4.361 28.671 5.780 886 HB3 HIS 112 3HB HIS 112 5.200 27.325 6.532 887 HD1 HIS 112 HD1 HIS 112 6.222 25.506 4.888 888 HD2 HIS 112 HD2 HIS 112 4.796 28.966 3.063 889 HE1 HIS 112 HE1 HIS 112 7.200 25.509 2.571 890 HE2 HIS 112 HE2 HIS 112 6.180 27.509 1.445 Start of MODEL 20 1 H1 MET 1 1H MET 1 5.501 1.216 15.954 2 H2 MET 1 2H MET 1 5.066 -0.051 14.929 3 H3 MET 1 3H MET 1 4.253 0.168 16.395 4 HA MET 1 HA MET 1 2.965 0.906 14.492 5 HB2 MET 1 2HB MET 1 2.320 3.097 15.436 6 HB3 MET 1 3HB MET 1 2.599 1.929 16.715 7 HG2 MET 1 2HG MET 1 4.881 2.947 17.047 8 HG3 MET 1 3HG MET 1 4.421 4.206 15.901 9 HE1 MET 1 3HE MET 1 2.258 2.391 18.680 10 HE2 MET 1 1HE MET 1 2.411 3.545 20.005 11 HE3 MET 1 2HE MET 1 3.825 2.648 19.452 12 H GLY 2 H GLY 2 2.984 1.826 12.525 13 HA2 GLY 2 2HA GLY 2 4.877 3.881 11.733 14 HA3 GLY 2 3HA GLY 2 5.134 2.305 10.976 15 H LYS 3 H LYS 3 4.554 4.421 9.375 16 HA LYS 3 HA LYS 3 1.670 4.321 8.798 17 HB2 LYS 3 2HB LYS 3 2.715 6.569 8.930 18 HB3 LYS 3 3HB LYS 3 3.777 6.151 7.584 19 HG2 LYS 3 2HG LYS 3 1.807 5.889 6.103 20 HG3 LYS 3 3HG LYS 3 0.732 6.261 7.453 21 HD2 LYS 3 2HD LYS 3 2.809 8.163 6.314 22 HD3 LYS 3 3HD LYS 3 1.099 8.173 5.878 23 HE2 LYS 3 2HE LYS 3 0.478 8.752 8.167 24 HE3 LYS 3 3HE LYS 3 2.159 8.616 8.691 25 HZ1 LYS 3 3HZ LYS 3 1.164 10.567 6.689 26 HZ2 LYS 3 1HZ LYS 3 2.735 10.463 7.298 27 HZ3 LYS 3 2HZ LYS 3 1.462 10.916 8.314 28 H VAL 4 H VAL 4 0.890 3.210 7.157 29 HA VAL 4 HA VAL 4 2.607 1.938 5.151 30 HB VAL 4 HB VAL 4 -0.402 1.704 5.637 31 HG11 VAL 4 1HG1 VAL 4 -0.290 -0.313 4.210 32 HG12 VAL 4 2HG1 VAL 4 1.423 -0.001 3.910 33 HG13 VAL 4 3HG1 VAL 4 0.204 1.135 3.325 34 HG21 VAL 4 3HG2 VAL 4 1.813 -0.197 6.507 35 HG22 VAL 4 1HG2 VAL 4 0.079 -0.477 6.707 36 HG23 VAL 4 2HG2 VAL 4 0.868 0.843 7.575 37 H LEU 5 H LEU 5 2.474 2.530 2.922 38 HA LEU 5 HA LEU 5 0.750 4.793 2.177 39 HB2 LEU 5 2HB LEU 5 3.146 4.858 1.494 40 HB3 LEU 5 3HB LEU 5 2.911 3.382 0.572 41 HG LEU 5 HG LEU 5 1.254 4.591 -0.890 42 HD11 LEU 5 1HD1 LEU 5 1.107 7.044 -0.807 43 HD12 LEU 5 2HD1 LEU 5 2.097 7.059 0.656 44 HD13 LEU 5 3HD1 LEU 5 0.501 6.301 0.673 45 HD21 LEU 5 3HD2 LEU 5 3.998 5.870 -0.783 46 HD22 LEU 5 1HD2 LEU 5 2.889 5.898 -2.159 47 HD23 LEU 5 2HD2 LEU 5 3.575 4.370 -1.613 48 H LEU 6 H LEU 6 -1.251 4.172 1.591 49 HA LEU 6 HA LEU 6 -1.801 1.471 0.632 50 HB2 LEU 6 2HB LEU 6 -3.073 2.437 2.540 51 HB3 LEU 6 3HB LEU 6 -3.628 3.743 1.509 52 HG LEU 6 HG LEU 6 -4.914 2.108 0.131 53 HD11 LEU 6 1HD1 LEU 6 -5.213 -0.213 0.889 54 HD12 LEU 6 2HD1 LEU 6 -3.997 0.032 2.146 55 HD13 LEU 6 3HD1 LEU 6 -3.539 0.115 0.443 56 HD21 LEU 6 3HD2 LEU 6 -5.532 2.028 3.103 57 HD22 LEU 6 1HD2 LEU 6 -6.662 1.621 1.810 58 HD23 LEU 6 2HD2 LEU 6 -6.045 3.262 1.949 59 H VAL 7 H VAL 7 -1.266 1.441 -1.505 60 HA VAL 7 HA VAL 7 -1.846 3.654 -3.314 61 HB VAL 7 HB VAL 7 -0.440 0.990 -3.828 62 HG11 VAL 7 1HG1 VAL 7 -1.362 1.918 -5.920 63 HG12 VAL 7 2HG1 VAL 7 0.399 2.014 -5.925 64 HG13 VAL 7 3HG1 VAL 7 -0.561 3.460 -5.606 65 HG21 VAL 7 3HG2 VAL 7 1.677 2.277 -3.748 66 HG22 VAL 7 1HG2 VAL 7 0.812 2.367 -2.211 67 HG23 VAL 7 2HG2 VAL 7 0.778 3.736 -3.325 68 H ILE 8 H ILE 8 -3.912 3.713 -3.915 69 HA ILE 8 HA ILE 8 -5.380 1.288 -4.756 70 HB ILE 8 HB ILE 8 -6.491 4.037 -4.013 71 HG12 ILE 8 2HG1 ILE 8 -6.517 1.484 -2.338 72 HG13 ILE 8 3HG1 ILE 8 -5.486 2.881 -2.042 73 HG21 ILE 8 1HG2 ILE 8 -7.995 1.435 -4.505 74 HG22 ILE 8 2HG2 ILE 8 -7.955 2.822 -5.593 75 HG23 ILE 8 3HG2 ILE 8 -8.718 2.969 -4.009 76 HD11 ILE 8 3HD1 ILE 8 -7.352 2.883 -0.528 77 HD12 ILE 8 1HD1 ILE 8 -8.498 2.812 -1.868 78 HD13 ILE 8 2HD1 ILE 8 -7.492 4.245 -1.637 79 H SER 9 H SER 9 -6.108 1.162 -6.815 80 HA SER 9 HA SER 9 -6.494 3.437 -8.552 81 HB2 SER 9 2HB SER 9 -4.072 2.967 -8.895 82 HB3 SER 9 3HB SER 9 -4.446 1.291 -9.262 83 HG SER 9 HG SER 9 -4.492 3.441 -10.855 84 H THR 10 H THR 10 -7.794 2.856 -10.375 85 HA THR 10 HA THR 10 -9.653 0.756 -9.924 86 HB THR 10 HB THR 10 -9.253 2.438 -12.437 87 HG1 THR 10 HG1 THR 10 -10.505 2.921 -9.967 88 HG21 THR 10 3HG2 THR 10 -11.713 0.917 -11.474 89 HG22 THR 10 1HG2 THR 10 -10.711 0.483 -12.866 90 HG23 THR 10 2HG2 THR 10 -11.649 1.977 -12.883 91 H ASP 11 H ASP 11 -7.020 1.209 -12.299 92 HA ASP 11 HA ASP 11 -7.388 -1.464 -13.413 93 HB2 ASP 11 2HB ASP 11 -5.275 0.637 -14.076 94 HB3 ASP 11 3HB ASP 11 -5.617 -0.828 -14.997 95 H THR 12 H THR 12 -6.715 -3.007 -12.068 96 HA THR 12 HA THR 12 -4.487 -3.062 -10.368 97 HB THR 12 HB THR 12 -5.782 -5.398 -11.858 98 HG1 THR 12 HG1 THR 12 -7.255 -4.190 -10.590 99 HG21 THR 12 3HG2 THR 12 -4.981 -6.800 -9.980 100 HG22 THR 12 1HG2 THR 12 -4.143 -5.407 -9.293 101 HG23 THR 12 2HG2 THR 12 -3.623 -6.073 -10.843 102 H ASN 13 H ASN 13 -4.744 -3.412 -13.851 103 HA ASN 13 HA ASN 13 -2.277 -4.521 -14.558 104 HB2 ASN 13 2HB ASN 13 -3.876 -2.374 -16.014 105 HB3 ASN 13 3HB ASN 13 -2.561 -3.302 -16.730 106 HD21 ASN 13 1HD2 ASN 13 -5.212 -3.171 -17.729 107 HD22 ASN 13 2HD2 ASN 13 -5.884 -4.761 -17.655 108 H ILE 14 H ILE 14 -3.141 -1.165 -13.730 109 HA ILE 14 HA ILE 14 -0.562 -0.040 -14.320 110 HB ILE 14 HB ILE 14 -2.891 1.066 -12.684 111 HG12 ILE 14 2HG1 ILE 14 -3.468 0.779 -15.065 112 HG13 ILE 14 3HG1 ILE 14 -3.325 2.491 -14.699 113 HG21 ILE 14 1HG2 ILE 14 -0.395 2.533 -13.618 114 HG22 ILE 14 2HG2 ILE 14 -0.809 2.142 -11.950 115 HG23 ILE 14 3HG2 ILE 14 -1.800 3.287 -12.852 116 HD11 ILE 14 3HD1 ILE 14 -1.111 2.523 -15.759 117 HD12 ILE 14 1HD1 ILE 14 -2.370 1.962 -16.857 118 HD13 ILE 14 2HD1 ILE 14 -1.266 0.802 -16.123 119 H ILE 15 H ILE 15 -2.245 -1.145 -11.388 120 HA ILE 15 HA ILE 15 -0.282 -0.459 -9.464 121 HB ILE 15 HB ILE 15 -2.408 -2.650 -9.380 122 HG12 ILE 15 2HG1 ILE 15 -2.413 0.227 -8.368 123 HG13 ILE 15 3HG1 ILE 15 -3.369 -0.422 -9.695 124 HG21 ILE 15 1HG2 ILE 15 -0.669 -3.122 -7.690 125 HG22 ILE 15 2HG2 ILE 15 -2.174 -2.632 -6.914 126 HG23 ILE 15 3HG2 ILE 15 -0.836 -1.488 -7.044 127 HD11 ILE 15 3HD1 ILE 15 -4.593 -1.825 -8.078 128 HD12 ILE 15 1HD1 ILE 15 -4.743 -0.097 -7.762 129 HD13 ILE 15 2HD1 ILE 15 -3.667 -1.080 -6.771 130 H SER 16 H SER 16 -0.648 -3.224 -11.591 131 HA SER 16 HA SER 16 1.252 -4.982 -10.416 132 HB2 SER 16 2HB SER 16 -0.488 -5.809 -11.941 133 HB3 SER 16 3HB SER 16 0.157 -4.836 -13.262 134 HG SER 16 HG SER 16 1.597 -6.329 -13.623 135 H SER 17 H SER 17 1.402 -2.633 -13.087 136 HA SER 17 HA SER 17 4.084 -2.974 -13.852 137 HB2 SER 17 2HB SER 17 2.420 -1.777 -15.233 138 HB3 SER 17 3HB SER 17 2.327 -0.484 -14.036 139 HG SER 17 HG SER 17 4.701 -1.241 -15.389 140 H VAL 18 H VAL 18 2.613 -0.762 -11.518 141 HA VAL 18 HA VAL 18 4.980 0.672 -10.799 142 HB VAL 18 HB VAL 18 2.345 0.401 -9.283 143 HG11 VAL 18 1HG1 VAL 18 4.189 1.223 -7.841 144 HG12 VAL 18 2HG1 VAL 18 2.982 2.473 -8.120 145 HG13 VAL 18 3HG1 VAL 18 4.512 2.517 -8.995 146 HG21 VAL 18 3HG2 VAL 18 2.050 1.292 -11.575 147 HG22 VAL 18 1HG2 VAL 18 3.234 2.553 -11.239 148 HG23 VAL 18 2HG2 VAL 18 1.704 2.519 -10.360 149 H GLN 19 H GLN 19 3.265 -2.101 -9.495 150 HA GLN 19 HA GLN 19 4.626 -2.621 -7.117 151 HB2 GLN 19 2HB GLN 19 2.599 -3.812 -7.781 152 HB3 GLN 19 3HB GLN 19 3.410 -4.491 -9.183 153 HG2 GLN 19 2HG GLN 19 4.890 -5.781 -7.628 154 HG3 GLN 19 3HG GLN 19 3.927 -5.178 -6.280 155 HE21 GLN 19 1HE2 GLN 19 1.366 -5.343 -7.731 156 HE22 GLN 19 2HE2 GLN 19 0.999 -7.024 -7.844 157 H GLU 20 H GLU 20 5.301 -3.705 -10.454 158 HA GLU 20 HA GLU 20 7.650 -5.175 -10.047 159 HB2 GLU 20 2HB GLU 20 6.687 -3.590 -12.451 160 HB3 GLU 20 3HB GLU 20 8.125 -4.611 -12.497 161 HG2 GLU 20 2HG GLU 20 6.790 -6.588 -12.031 162 HG3 GLU 20 3HG GLU 20 5.333 -5.599 -11.852 163 H ARG 21 H ARG 21 7.183 -1.709 -10.733 164 HA ARG 21 HA ARG 21 9.913 -1.013 -11.076 165 HB2 ARG 21 2HB ARG 21 7.551 0.714 -10.229 166 HB3 ARG 21 3HB ARG 21 9.122 1.344 -10.729 167 HG2 ARG 21 2HG ARG 21 8.822 0.408 -12.966 168 HG3 ARG 21 3HG ARG 21 7.290 -0.323 -12.484 169 HD2 ARG 21 2HD ARG 21 6.366 1.948 -12.080 170 HD3 ARG 21 3HD ARG 21 7.895 2.651 -12.623 171 HE ARG 21 HE ARG 21 6.634 0.860 -14.512 172 HH11 ARG 21 1HH1 ARG 21 6.845 4.215 -13.464 173 HH12 ARG 21 2HH1 ARG 21 6.301 4.837 -14.989 174 HH21 ARG 21 1HH2 ARG 21 5.965 1.705 -16.498 175 HH22 ARG 21 2HH2 ARG 21 5.807 3.419 -16.699 176 H ALA 22 H ALA 22 7.770 -0.781 -8.252 177 HA ALA 22 HA ALA 22 9.618 0.464 -6.493 178 HB1 ALA 22 3HB ALA 22 7.929 0.019 -4.759 179 HB2 ALA 22 1HB ALA 22 7.077 -1.071 -5.855 180 HB3 ALA 22 2HB ALA 22 7.178 0.653 -6.226 181 H LYS 23 H LYS 23 8.791 -2.914 -7.128 182 HA LYS 23 HA LYS 23 10.416 -4.071 -5.059 183 HB2 LYS 23 2HB LYS 23 9.126 -5.211 -7.562 184 HB3 LYS 23 3HB LYS 23 10.090 -6.206 -6.471 185 HG2 LYS 23 2HG LYS 23 8.542 -5.890 -4.665 186 HG3 LYS 23 3HG LYS 23 7.676 -4.625 -5.537 187 HD2 LYS 23 2HD LYS 23 6.435 -6.773 -5.500 188 HD3 LYS 23 3HD LYS 23 6.814 -6.238 -7.138 189 HE2 LYS 23 2HE LYS 23 7.144 -8.678 -6.834 190 HE3 LYS 23 3HE LYS 23 8.644 -7.861 -7.273 191 HZ1 LYS 23 3HZ LYS 23 7.870 -8.610 -4.515 192 HZ2 LYS 23 1HZ LYS 23 9.335 -7.925 -4.990 193 HZ3 LYS 23 2HZ LYS 23 8.932 -9.485 -5.491 194 H HIS 24 H HIS 24 10.934 -3.341 -8.512 195 HA HIS 24 HA HIS 24 13.489 -4.494 -8.792 196 HB2 HIS 24 2HB HIS 24 12.060 -3.916 -10.710 197 HB3 HIS 24 3HB HIS 24 12.143 -2.211 -10.294 198 HD1 HIS 24 HD1 HIS 24 14.314 -5.013 -11.634 199 HD2 HIS 24 HD2 HIS 24 14.289 -0.859 -11.408 200 HE1 HIS 24 HE1 HIS 24 16.178 -4.233 -13.128 201 HE2 HIS 24 HE2 HIS 24 16.219 -1.734 -12.871 202 H ASN 25 H ASN 25 12.404 -1.430 -7.506 203 HA ASN 25 HA ASN 25 15.054 -0.204 -7.480 204 HB2 ASN 25 2HB ASN 25 12.315 0.759 -6.564 205 HB3 ASN 25 3HB ASN 25 13.783 1.688 -6.300 206 HD21 ASN 25 1HD2 ASN 25 13.266 -0.163 -9.286 207 HD22 ASN 25 2HD2 ASN 25 13.071 1.219 -10.291 208 H TYR 26 H TYR 26 12.582 -0.946 -5.002 209 HA TYR 26 HA TYR 26 14.581 -0.805 -2.851 210 HB2 TYR 26 2HB TYR 26 11.537 -0.962 -2.734 211 HB3 TYR 26 3HB TYR 26 12.596 -0.711 -1.347 212 HD1 TYR 26 HD1 TYR 26 14.041 1.396 -1.288 213 HD2 TYR 26 HD2 TYR 26 10.815 0.910 -4.061 214 HE1 TYR 26 HE1 TYR 26 14.045 3.810 -1.714 215 HE2 TYR 26 HE2 TYR 26 10.820 3.330 -4.483 216 HH TYR 26 HH TYR 26 13.364 5.291 -3.680 217 HA PRO 27 HA PRO 27 14.954 -5.159 -2.313 218 HB2 PRO 27 2HB PRO 27 15.311 -5.499 0.385 219 HB3 PRO 27 3HB PRO 27 16.501 -4.659 -0.635 220 HG2 PRO 27 2HG PRO 27 14.345 -3.466 1.105 221 HG3 PRO 27 3HG PRO 27 16.067 -3.021 0.987 222 HD2 PRO 27 2HD PRO 27 14.154 -1.621 -0.327 223 HD3 PRO 27 3HD PRO 27 15.774 -1.857 -1.018 224 H GLY 28 H GLY 28 12.005 -3.892 -1.621 225 HA2 GLY 28 2HA GLY 28 9.951 -4.908 -1.644 226 HA3 GLY 28 3HA GLY 28 10.753 -6.467 -1.689 227 H ARG 29 H ARG 29 11.929 -4.775 0.934 228 HA ARG 29 HA ARG 29 10.347 -6.227 2.873 229 HB2 ARG 29 2HB ARG 29 12.519 -4.127 3.289 230 HB3 ARG 29 3HB ARG 29 11.829 -5.165 4.537 231 HG2 ARG 29 2HG ARG 29 12.696 -7.147 3.143 232 HG3 ARG 29 3HG ARG 29 13.633 -5.956 2.233 233 HD2 ARG 29 2HD ARG 29 14.959 -7.009 4.057 234 HD3 ARG 29 3HD ARG 29 14.781 -5.265 4.288 235 HE ARG 29 HE ARG 29 13.380 -5.628 6.108 236 HH11 ARG 29 1HH1 ARG 29 14.235 -8.719 4.664 237 HH12 ARG 29 2HH1 ARG 29 13.653 -9.642 6.011 238 HH21 ARG 29 1HH2 ARG 29 12.564 -6.856 7.834 239 HH22 ARG 29 2HH2 ARG 29 12.705 -8.585 7.807 240 H TYR 30 H TYR 30 10.437 -3.066 1.477 241 HA TYR 30 HA TYR 30 8.515 -1.917 3.372 242 HB2 TYR 30 2HB TYR 30 10.072 -0.661 1.071 243 HB3 TYR 30 3HB TYR 30 8.960 0.218 2.123 244 HD1 TYR 30 HD1 TYR 30 9.538 0.667 4.479 245 HD2 TYR 30 HD2 TYR 30 12.298 -1.368 1.913 246 HE1 TYR 30 HE1 TYR 30 11.316 0.999 6.131 247 HE2 TYR 30 HE2 TYR 30 14.081 -1.033 3.568 248 HH TYR 30 HH TYR 30 14.588 0.550 5.452 249 H ILE 31 H ILE 31 8.624 -3.479 0.333 250 HA ILE 31 HA ILE 31 6.048 -2.340 -0.554 251 HB ILE 31 HB ILE 31 8.160 -3.915 -2.084 252 HG12 ILE 31 2HG1 ILE 31 8.074 -1.870 -3.620 253 HG13 ILE 31 3HG1 ILE 31 7.033 -1.098 -2.433 254 HG21 ILE 31 1HG2 ILE 31 6.669 -3.783 -4.092 255 HG22 ILE 31 2HG2 ILE 31 5.377 -3.173 -3.057 256 HG23 ILE 31 3HG2 ILE 31 6.005 -4.803 -2.813 257 HD11 ILE 31 3HD1 ILE 31 9.321 -0.324 -2.291 258 HD12 ILE 31 1HD1 ILE 31 9.882 -1.968 -1.993 259 HD13 ILE 31 2HD1 ILE 31 8.850 -1.157 -0.811 260 H ARG 32 H ARG 32 4.306 -3.456 -0.160 261 HA ARG 32 HA ARG 32 4.289 -6.387 -0.177 262 HB2 ARG 32 2HB ARG 32 4.374 -5.510 2.205 263 HB3 ARG 32 3HB ARG 32 2.850 -4.690 1.909 264 HG2 ARG 32 2HG ARG 32 2.477 -6.758 3.142 265 HG3 ARG 32 3HG ARG 32 1.744 -6.871 1.541 266 HD2 ARG 32 2HD ARG 32 4.529 -7.972 1.984 267 HD3 ARG 32 3HD ARG 32 3.136 -8.897 2.527 268 HE ARG 32 HE ARG 32 2.354 -8.920 0.197 269 HH11 ARG 32 1HH1 ARG 32 5.769 -8.256 0.712 270 HH12 ARG 32 2HH1 ARG 32 6.234 -8.802 -0.866 271 HH21 ARG 32 1HH2 ARG 32 2.974 -9.590 -1.881 272 HH22 ARG 32 2HH2 ARG 32 4.648 -9.557 -2.328 273 H THR 33 H THR 33 2.245 -7.242 -0.818 274 HA THR 33 HA THR 33 0.366 -5.341 -2.090 275 HB THR 33 HB THR 33 -0.123 -7.301 -3.666 276 HG1 THR 33 HG1 THR 33 1.379 -8.990 -3.689 277 HG21 THR 33 3HG2 THR 33 2.726 -6.227 -3.674 278 HG22 THR 33 1HG2 THR 33 1.324 -5.447 -4.413 279 HG23 THR 33 2HG2 THR 33 1.915 -6.985 -5.044 280 H ALA 34 H ALA 34 -1.803 -5.633 -1.732 281 HA ALA 34 HA ALA 34 -2.720 -7.913 -0.093 282 HB1 ALA 34 3HB ALA 34 -2.740 -5.852 1.266 283 HB2 ALA 34 1HB ALA 34 -4.383 -6.421 0.958 284 HB3 ALA 34 2HB ALA 34 -3.737 -5.047 0.054 285 H THR 35 H THR 35 -4.076 -9.144 -1.201 286 HA THR 35 HA THR 35 -5.841 -7.977 -3.286 287 HB THR 35 HB THR 35 -4.135 -9.518 -4.228 288 HG1 THR 35 HG1 THR 35 -6.202 -9.391 -5.207 289 HG21 THR 35 3HG2 THR 35 -3.823 -11.032 -2.292 290 HG22 THR 35 1HG2 THR 35 -4.195 -11.930 -3.768 291 HG23 THR 35 2HG2 THR 35 -5.445 -11.680 -2.549 292 H SER 36 H SER 36 -5.784 -9.207 -0.207 293 HA SER 36 HA SER 36 -8.627 -9.655 -0.035 294 HB2 SER 36 2HB SER 36 -7.893 -11.880 -0.849 295 HB3 SER 36 3HB SER 36 -6.692 -11.982 0.435 296 HG SER 36 HG SER 36 -8.946 -13.019 0.614 297 H SER 37 H SER 37 -9.222 -10.283 2.230 298 HA SER 37 HA SER 37 -8.056 -8.584 4.181 299 HB2 SER 37 2HB SER 37 -9.979 -10.906 4.641 300 HB3 SER 37 3HB SER 37 -9.711 -9.524 5.708 301 HG SER 37 HG SER 37 -10.747 -8.218 4.290 302 H GLN 38 H GLN 38 -7.418 -11.840 3.179 303 HA GLN 38 HA GLN 38 -6.187 -12.976 5.437 304 HB2 GLN 38 2HB GLN 38 -5.344 -13.424 2.538 305 HB3 GLN 38 3HB GLN 38 -5.125 -14.533 3.889 306 HG2 GLN 38 2HG GLN 38 -7.754 -13.753 2.600 307 HG3 GLN 38 3HG GLN 38 -6.912 -15.290 2.411 308 HE21 GLN 38 1HE2 GLN 38 -9.616 -14.854 3.331 309 HE22 GLN 38 2HE2 GLN 38 -9.719 -15.490 4.934 310 H ASP 39 H ASP 39 -4.803 -11.173 2.684 311 HA ASP 39 HA ASP 39 -2.142 -10.944 3.567 312 HB2 ASP 39 2HB ASP 39 -3.613 -8.913 1.820 313 HB3 ASP 39 3HB ASP 39 -1.877 -9.210 1.874 314 H ILE 40 H ILE 40 -4.954 -8.771 3.832 315 HA ILE 40 HA ILE 40 -3.820 -6.482 4.902 316 HB ILE 40 HB ILE 40 -6.580 -7.695 5.243 317 HG12 ILE 40 2HG1 ILE 40 -5.636 -5.306 3.592 318 HG13 ILE 40 3HG1 ILE 40 -5.880 -6.932 2.963 319 HG21 ILE 40 1HG2 ILE 40 -7.426 -5.537 6.124 320 HG22 ILE 40 2HG2 ILE 40 -5.771 -4.932 6.219 321 HG23 ILE 40 3HG2 ILE 40 -6.273 -6.291 7.227 322 HD11 ILE 40 3HD1 ILE 40 -7.731 -5.522 2.380 323 HD12 ILE 40 1HD1 ILE 40 -8.004 -5.102 4.072 324 HD13 ILE 40 2HD1 ILE 40 -8.272 -6.757 3.516 325 H ARG 41 H ARG 41 -5.427 -9.079 6.788 326 HA ARG 41 HA ARG 41 -4.964 -8.298 9.377 327 HB2 ARG 41 2HB ARG 41 -4.978 -11.108 8.195 328 HB3 ARG 41 3HB ARG 41 -4.906 -10.817 9.931 329 HG2 ARG 41 2HG ARG 41 -7.165 -9.980 8.083 330 HG3 ARG 41 3HG ARG 41 -7.188 -11.341 9.213 331 HD2 ARG 41 2HD ARG 41 -7.034 -8.383 9.879 332 HD3 ARG 41 3HD ARG 41 -8.358 -9.494 10.238 333 HE ARG 41 HE ARG 41 -6.421 -10.666 11.613 334 HH11 ARG 41 1HH1 ARG 41 -7.238 -7.238 11.480 335 HH12 ARG 41 2HH1 ARG 41 -6.637 -6.915 13.073 336 HH21 ARG 41 1HH2 ARG 41 -5.605 -10.205 13.682 337 HH22 ARG 41 2HH2 ARG 41 -5.712 -8.597 14.322 338 H ASP 42 H ASP 42 -2.839 -10.314 7.377 339 HA ASP 42 HA ASP 42 -0.775 -10.750 9.221 340 HB2 ASP 42 2HB ASP 42 -1.119 -12.101 7.170 341 HB3 ASP 42 3HB ASP 42 -0.680 -10.717 6.173 342 H ILE 43 H ILE 43 -1.281 -8.136 6.852 343 HA ILE 43 HA ILE 43 1.297 -6.948 6.957 344 HB ILE 43 HB ILE 43 -1.442 -5.852 6.189 345 HG12 ILE 43 2HG1 ILE 43 0.920 -6.558 4.393 346 HG13 ILE 43 3HG1 ILE 43 -0.385 -7.675 4.760 347 HG21 ILE 43 1HG2 ILE 43 -0.325 -3.909 5.143 348 HG22 ILE 43 2HG2 ILE 43 1.216 -4.439 5.820 349 HG23 ILE 43 3HG2 ILE 43 -0.091 -3.932 6.891 350 HD11 ILE 43 3HD1 ILE 43 -0.703 -6.685 2.594 351 HD12 ILE 43 1HD1 ILE 43 -0.640 -5.063 3.280 352 HD13 ILE 43 2HD1 ILE 43 -1.977 -6.143 3.685 353 H ILE 44 H ILE 44 -1.733 -6.258 8.646 354 HA ILE 44 HA ILE 44 -0.809 -3.953 10.046 355 HB ILE 44 HB ILE 44 -3.298 -5.667 10.451 356 HG12 ILE 44 2HG1 ILE 44 -2.895 -3.033 8.949 357 HG13 ILE 44 3HG1 ILE 44 -3.098 -4.612 8.199 358 HG21 ILE 44 1HG2 ILE 44 -2.833 -4.384 12.510 359 HG22 ILE 44 2HG2 ILE 44 -4.266 -3.756 11.697 360 HG23 ILE 44 3HG2 ILE 44 -2.732 -2.893 11.572 361 HD11 ILE 44 3HD1 ILE 44 -5.373 -4.727 9.106 362 HD12 ILE 44 1HD1 ILE 44 -5.121 -3.329 8.061 363 HD13 ILE 44 2HD1 ILE 44 -5.159 -3.120 9.811 364 H LYS 45 H LYS 45 -1.047 -7.409 10.874 365 HA LYS 45 HA LYS 45 -0.478 -7.421 13.602 366 HB2 LYS 45 2HB LYS 45 0.452 -9.347 11.426 367 HB3 LYS 45 3HB LYS 45 0.717 -9.648 13.142 368 HG2 LYS 45 2HG LYS 45 -1.666 -9.785 13.548 369 HG3 LYS 45 3HG LYS 45 -2.015 -9.296 11.887 370 HD2 LYS 45 2HD LYS 45 -0.849 -11.380 11.082 371 HD3 LYS 45 3HD LYS 45 -0.664 -11.881 12.767 372 HE2 LYS 45 2HE LYS 45 -3.117 -11.921 13.015 373 HE3 LYS 45 3HE LYS 45 -3.298 -11.405 11.337 374 HZ1 LYS 45 3HZ LYS 45 -3.583 -13.786 11.597 375 HZ2 LYS 45 1HZ LYS 45 -2.021 -13.925 12.228 376 HZ3 LYS 45 2HZ LYS 45 -2.246 -13.434 10.628 377 H SER 46 H SER 46 1.789 -7.396 10.863 378 HA SER 46 HA SER 46 4.171 -7.326 12.417 379 HB2 SER 46 2HB SER 46 4.137 -8.248 10.144 380 HB3 SER 46 3HB SER 46 3.655 -6.687 9.484 381 HG SER 46 HG SER 46 6.100 -7.256 10.821 382 H MET 47 H MET 47 2.080 -4.852 10.961 383 HA MET 47 HA MET 47 4.012 -2.735 11.031 384 HB2 MET 47 2HB MET 47 1.040 -2.803 10.461 385 HB3 MET 47 3HB MET 47 1.921 -1.281 10.544 386 HG2 MET 47 2HG MET 47 2.462 -3.553 8.621 387 HG3 MET 47 3HG MET 47 1.718 -1.999 8.235 388 HE1 MET 47 3HE MET 47 3.604 -0.021 10.070 389 HE2 MET 47 1HE MET 47 3.059 0.354 8.433 390 HE3 MET 47 2HE MET 47 4.771 0.463 8.840 391 H LYS 48 H LYS 48 1.851 -4.012 13.408 392 HA LYS 48 HA LYS 48 1.679 -1.774 15.159 393 HB2 LYS 48 2HB LYS 48 1.797 -4.727 15.898 394 HB3 LYS 48 3HB LYS 48 1.251 -3.419 16.942 395 HG2 LYS 48 2HG LYS 48 -0.655 -3.020 15.412 396 HG3 LYS 48 3HG LYS 48 -0.111 -4.371 14.415 397 HD2 LYS 48 2HD LYS 48 -0.913 -4.599 17.340 398 HD3 LYS 48 3HD LYS 48 -1.986 -4.943 15.986 399 HE2 LYS 48 2HE LYS 48 -1.154 -7.036 16.828 400 HE3 LYS 48 3HE LYS 48 -0.399 -6.756 15.267 401 HZ1 LYS 48 3HZ LYS 48 0.937 -6.148 17.843 402 HZ2 LYS 48 1HZ LYS 48 1.647 -6.236 16.307 403 HZ3 LYS 48 2HZ LYS 48 1.073 -7.637 17.061 404 H ASP 49 H ASP 49 4.017 -4.354 14.689 405 HA ASP 49 HA ASP 49 5.722 -3.543 16.910 406 HB2 ASP 49 2HB ASP 49 5.981 -5.824 14.901 407 HB3 ASP 49 3HB ASP 49 7.000 -5.609 16.326 408 H ASN 50 H ASN 50 5.604 -3.278 13.419 409 HA ASN 50 HA ASN 50 8.326 -2.532 12.939 410 HB2 ASN 50 2HB ASN 50 5.809 -1.949 11.299 411 HB3 ASN 50 3HB ASN 50 7.441 -1.582 10.750 412 HD21 ASN 50 1HD2 ASN 50 5.527 -3.253 9.445 413 HD22 ASN 50 2HD2 ASN 50 6.203 -4.839 9.355 414 H GLY 51 H GLY 51 9.227 -0.717 13.736 415 HA2 GLY 51 2HA GLY 51 7.662 1.754 14.143 416 HA3 GLY 51 3HA GLY 51 9.321 1.461 14.657 417 H LYS 52 H LYS 52 8.234 0.633 11.468 418 HA LYS 52 HA LYS 52 9.560 2.935 10.223 419 HB2 LYS 52 2HB LYS 52 10.680 1.446 8.616 420 HB3 LYS 52 3HB LYS 52 11.190 1.081 10.256 421 HG2 LYS 52 2HG LYS 52 9.881 -0.953 10.299 422 HG3 LYS 52 3HG LYS 52 9.095 -0.545 8.770 423 HD2 LYS 52 2HD LYS 52 10.901 -2.266 8.505 424 HD3 LYS 52 3HD LYS 52 11.183 -0.811 7.548 425 HE2 LYS 52 2HE LYS 52 12.753 -0.005 9.348 426 HE3 LYS 52 3HE LYS 52 12.531 -1.549 10.173 427 HZ1 LYS 52 3HZ LYS 52 14.534 -1.525 8.850 428 HZ2 LYS 52 1HZ LYS 52 13.650 -1.176 7.450 429 HZ3 LYS 52 2HZ LYS 52 13.440 -2.660 8.233 430 HA PRO 53 HA PRO 53 5.995 2.863 7.548 431 HB2 PRO 53 2HB PRO 53 6.878 3.864 5.190 432 HB3 PRO 53 3HB PRO 53 6.905 4.854 6.669 433 HG2 PRO 53 2HG PRO 53 9.161 3.292 5.416 434 HG3 PRO 53 3HG PRO 53 9.146 4.982 5.981 435 HD2 PRO 53 2HD PRO 53 10.121 2.971 7.527 436 HD3 PRO 53 3HD PRO 53 9.305 4.386 8.229 437 H LEU 54 H LEU 54 4.957 1.896 5.742 438 HA LEU 54 HA LEU 54 6.353 -0.225 4.247 439 HB2 LEU 54 2HB LEU 54 4.890 -1.008 6.299 440 HB3 LEU 54 3HB LEU 54 3.521 -0.593 5.285 441 HG LEU 54 HG LEU 54 4.353 -2.249 3.570 442 HD11 LEU 54 1HD1 LEU 54 6.377 -2.996 5.701 443 HD12 LEU 54 2HD1 LEU 54 6.727 -2.230 4.151 444 HD13 LEU 54 3HD1 LEU 54 6.085 -3.870 4.191 445 HD21 LEU 54 3HD2 LEU 54 2.612 -2.905 5.171 446 HD22 LEU 54 1HD2 LEU 54 3.848 -3.431 6.318 447 HD23 LEU 54 2HD2 LEU 54 3.657 -4.267 4.773 448 H VAL 55 H VAL 55 4.674 -0.941 2.409 449 HA VAL 55 HA VAL 55 3.156 1.292 1.291 450 HB VAL 55 HB VAL 55 5.431 0.025 -0.326 451 HG11 VAL 55 1HG1 VAL 55 4.801 1.634 -2.112 452 HG12 VAL 55 2HG1 VAL 55 3.454 2.198 -1.119 453 HG13 VAL 55 3HG1 VAL 55 3.473 0.538 -1.718 454 HG21 VAL 55 3HG2 VAL 55 6.373 1.647 1.270 455 HG22 VAL 55 1HG2 VAL 55 5.248 2.885 0.705 456 HG23 VAL 55 2HG2 VAL 55 6.498 2.263 -0.378 457 H VAL 56 H VAL 56 1.291 0.110 1.249 458 HA VAL 56 HA VAL 56 1.303 -2.640 0.198 459 HB VAL 56 HB VAL 56 -0.775 -1.130 1.819 460 HG11 VAL 56 1HG1 VAL 56 -1.054 -3.917 0.620 461 HG12 VAL 56 2HG1 VAL 56 -2.003 -2.498 0.174 462 HG13 VAL 56 3HG1 VAL 56 -2.166 -3.193 1.786 463 HG21 VAL 56 3HG2 VAL 56 -0.347 -2.896 3.503 464 HG22 VAL 56 1HG2 VAL 56 1.142 -2.034 3.096 465 HG23 VAL 56 2HG2 VAL 56 0.839 -3.641 2.429 466 H PHE 57 H PHE 57 0.949 -2.862 -1.832 467 HA PHE 57 HA PHE 57 -0.572 -1.032 -3.506 468 HB2 PHE 57 2HB PHE 57 0.989 -3.597 -4.083 469 HB3 PHE 57 3HB PHE 57 0.079 -2.729 -5.315 470 HD1 PHE 57 HD1 PHE 57 0.774 -0.492 -6.053 471 HD2 PHE 57 HD2 PHE 57 3.155 -2.735 -3.290 472 HE1 PHE 57 HE1 PHE 57 2.669 0.988 -6.470 473 HE2 PHE 57 HE2 PHE 57 5.056 -1.230 -3.728 474 HZ PHE 57 HZ PHE 57 4.811 0.627 -5.321 475 H VAL 58 H VAL 58 -2.726 -1.310 -3.731 476 HA VAL 58 HA VAL 58 -4.101 -3.686 -2.794 477 HB VAL 58 HB VAL 58 -5.158 -1.221 -4.282 478 HG11 VAL 58 1HG1 VAL 58 -7.414 -1.899 -3.535 479 HG12 VAL 58 2HG1 VAL 58 -6.746 -3.365 -2.822 480 HG13 VAL 58 3HG1 VAL 58 -6.691 -3.133 -4.570 481 HG21 VAL 58 3HG2 VAL 58 -5.960 -0.449 -2.060 482 HG22 VAL 58 1HG2 VAL 58 -4.204 -0.626 -2.089 483 HG23 VAL 58 2HG2 VAL 58 -5.201 -1.849 -1.298 484 H ASN 59 H ASN 59 -3.052 -5.254 -4.176 485 HA ASN 59 HA ASN 59 -3.261 -4.978 -7.064 486 HB2 ASN 59 2HB ASN 59 -1.180 -5.852 -5.881 487 HB3 ASN 59 3HB ASN 59 -2.088 -7.306 -5.472 488 HD21 ASN 59 1HD2 ASN 59 -1.264 -8.865 -6.744 489 HD22 ASN 59 2HD2 ASN 59 -1.025 -8.758 -8.452 490 H GLY 60 H GLY 60 -5.506 -5.101 -7.345 491 HA2 GLY 60 2HA GLY 60 -7.378 -6.208 -8.057 492 HA3 GLY 60 3HA GLY 60 -6.501 -7.717 -7.870 493 H ALA 61 H ALA 61 -7.466 -5.213 -5.523 494 HA ALA 61 HA ALA 61 -9.165 -7.194 -4.112 495 HB1 ALA 61 3HB ALA 61 -7.567 -4.961 -2.810 496 HB2 ALA 61 1HB ALA 61 -7.135 -6.667 -2.790 497 HB3 ALA 61 2HB ALA 61 -8.605 -6.122 -1.982 498 H SER 62 H SER 62 -11.118 -6.463 -3.316 499 HA SER 62 HA SER 62 -12.410 -4.314 -4.682 500 HB2 SER 62 2HB SER 62 -13.661 -6.339 -4.057 501 HB3 SER 62 3HB SER 62 -13.320 -6.060 -2.349 502 HG SER 62 HG SER 62 -15.378 -5.321 -2.817 503 H GLN 63 H GLN 63 -13.304 -2.410 -3.749 504 HA GLN 63 HA GLN 63 -11.657 -0.968 -1.961 505 HB2 GLN 63 2HB GLN 63 -13.036 0.108 -3.715 506 HB3 GLN 63 3HB GLN 63 -14.504 -0.372 -2.879 507 HG2 GLN 63 2HG GLN 63 -13.959 2.022 -2.560 508 HG3 GLN 63 3HG GLN 63 -14.012 1.141 -1.036 509 HE21 GLN 63 1HE2 GLN 63 -12.145 1.006 0.201 510 HE22 GLN 63 2HE2 GLN 63 -10.691 1.848 -0.191 511 H ASN 64 H ASN 64 -14.550 -2.902 -1.484 512 HA ASN 64 HA ASN 64 -15.284 -2.283 1.144 513 HB2 ASN 64 2HB ASN 64 -15.328 -4.993 -0.266 514 HB3 ASN 64 3HB ASN 64 -16.205 -4.624 1.216 515 HD21 ASN 64 1HD2 ASN 64 -18.064 -3.330 1.107 516 HD22 ASN 64 2HD2 ASN 64 -18.842 -2.971 -0.395 517 H ASP 65 H ASP 65 -12.819 -4.514 -0.087 518 HA ASP 65 HA ASP 65 -11.921 -5.596 2.399 519 HB2 ASP 65 2HB ASP 65 -10.511 -5.414 -0.305 520 HB3 ASP 65 3HB ASP 65 -9.860 -6.287 1.085 521 H VAL 66 H VAL 66 -10.909 -2.915 0.364 522 HA VAL 66 HA VAL 66 -8.491 -2.214 1.689 523 HB VAL 66 HB VAL 66 -10.360 -0.505 -0.012 524 HG11 VAL 66 1HG1 VAL 66 -8.878 0.956 1.255 525 HG12 VAL 66 2HG1 VAL 66 -8.391 0.946 -0.438 526 HG13 VAL 66 3HG1 VAL 66 -7.467 0.025 0.749 527 HG21 VAL 66 3HG2 VAL 66 -8.845 -1.039 -1.888 528 HG22 VAL 66 1HG2 VAL 66 -9.552 -2.504 -1.203 529 HG23 VAL 66 2HG2 VAL 66 -7.883 -2.072 -0.827 530 H ASN 67 H ASN 67 -11.852 -1.334 2.216 531 HA ASN 67 HA ASN 67 -11.389 0.757 4.123 532 HB2 ASN 67 2HB ASN 67 -13.889 -0.869 3.511 533 HB3 ASN 67 3HB ASN 67 -13.851 0.539 4.575 534 HD21 ASN 67 1HD2 ASN 67 -15.268 0.075 2.031 535 HD22 ASN 67 2HD2 ASN 67 -14.818 1.394 1.011 536 H GLU 68 H GLU 68 -11.875 -2.756 4.337 537 HA GLU 68 HA GLU 68 -12.083 -3.020 7.145 538 HB2 GLU 68 2HB GLU 68 -10.835 -4.950 5.141 539 HB3 GLU 68 3HB GLU 68 -11.215 -5.351 6.818 540 HG2 GLU 68 2HG GLU 68 -13.615 -4.913 6.351 541 HG3 GLU 68 3HG GLU 68 -13.211 -4.596 4.660 542 H PHE 69 H PHE 69 -9.290 -2.900 4.958 543 HA PHE 69 HA PHE 69 -7.185 -3.220 6.747 544 HB2 PHE 69 2HB PHE 69 -6.752 -3.224 4.357 545 HB3 PHE 69 3HB PHE 69 -7.353 -1.579 4.188 546 HD1 PHE 69 HD1 PHE 69 -4.572 -3.602 5.664 547 HD2 PHE 69 HD2 PHE 69 -5.866 0.302 4.440 548 HE1 PHE 69 HE1 PHE 69 -2.293 -2.726 5.993 549 HE2 PHE 69 HE2 PHE 69 -3.586 1.153 4.774 550 HZ PHE 69 HZ PHE 69 -1.805 -0.355 5.552 551 H GLN 70 H GLN 70 -8.705 -0.177 5.644 552 HA GLN 70 HA GLN 70 -7.295 1.650 7.180 553 HB2 GLN 70 2HB GLN 70 -10.199 1.794 6.278 554 HB3 GLN 70 3HB GLN 70 -9.255 3.174 6.849 555 HG2 GLN 70 2HG GLN 70 -7.713 2.948 4.975 556 HG3 GLN 70 3HG GLN 70 -8.541 1.489 4.428 557 HE21 GLN 70 1HE2 GLN 70 -9.080 2.312 2.426 558 HE22 GLN 70 2HE2 GLN 70 -10.227 3.580 2.202 559 H ASN 71 H ASN 71 -10.255 -0.110 8.083 560 HA ASN 71 HA ASN 71 -10.752 1.149 10.582 561 HB2 ASN 71 2HB ASN 71 -11.549 -1.609 9.557 562 HB3 ASN 71 3HB ASN 71 -12.111 -0.953 11.092 563 HD21 ASN 71 1HD2 ASN 71 -13.569 -1.698 8.592 564 HD22 ASN 71 2HD2 ASN 71 -14.499 -0.297 8.203 565 H GLU 72 H GLU 72 -9.297 -2.057 9.913 566 HA GLU 72 HA GLU 72 -8.556 -2.598 12.552 567 HB2 GLU 72 2HB GLU 72 -7.459 -3.778 9.980 568 HB3 GLU 72 3HB GLU 72 -7.260 -4.481 11.591 569 HG2 GLU 72 2HG GLU 72 -9.684 -4.733 11.806 570 HG3 GLU 72 3HG GLU 72 -9.931 -3.987 10.231 571 H ALA 73 H ALA 73 -6.664 -1.061 9.951 572 HA ALA 73 HA ALA 73 -4.201 -0.879 11.245 573 HB1 ALA 73 3HB ALA 73 -5.404 1.102 9.276 574 HB2 ALA 73 1HB ALA 73 -4.496 -0.352 8.854 575 HB3 ALA 73 2HB ALA 73 -3.693 0.972 9.699 576 H LYS 74 H LYS 74 -6.804 1.590 11.085 577 HA LYS 74 HA LYS 74 -5.573 3.449 12.758 578 HB2 LYS 74 2HB LYS 74 -7.612 4.690 12.807 579 HB3 LYS 74 3HB LYS 74 -7.521 3.933 11.225 580 HG2 LYS 74 2HG LYS 74 -9.165 2.242 11.920 581 HG3 LYS 74 3HG LYS 74 -9.223 2.941 13.537 582 HD2 LYS 74 2HD LYS 74 -11.169 3.692 12.300 583 HD3 LYS 74 3HD LYS 74 -10.095 5.070 12.544 584 HE2 LYS 74 2HE LYS 74 -9.243 4.752 10.206 585 HE3 LYS 74 3HE LYS 74 -10.417 3.452 9.989 586 HZ1 LYS 74 3HZ LYS 74 -12.188 5.067 10.403 587 HZ2 LYS 74 1HZ LYS 74 -11.240 5.506 9.073 588 HZ3 LYS 74 2HZ LYS 74 -11.041 6.301 10.552 589 H LYS 75 H LYS 75 -7.582 0.638 13.676 590 HA LYS 75 HA LYS 75 -7.934 1.576 16.401 591 HB2 LYS 75 2HB LYS 75 -9.180 -0.425 16.816 592 HB3 LYS 75 3HB LYS 75 -9.631 0.138 15.210 593 HG2 LYS 75 2HG LYS 75 -8.174 -1.577 14.198 594 HG3 LYS 75 3HG LYS 75 -7.705 -2.136 15.803 595 HD2 LYS 75 2HD LYS 75 -9.398 -3.630 14.894 596 HD3 LYS 75 3HD LYS 75 -10.080 -2.748 16.261 597 HE2 LYS 75 2HE LYS 75 -11.256 -1.232 14.706 598 HE3 LYS 75 3HE LYS 75 -10.529 -2.066 13.329 599 HZ1 LYS 75 3HZ LYS 75 -11.677 -4.088 14.026 600 HZ2 LYS 75 1HZ LYS 75 -12.760 -2.831 13.697 601 HZ3 LYS 75 2HZ LYS 75 -12.409 -3.246 15.297 602 H GLU 76 H GLU 76 -5.593 -0.463 14.705 603 HA GLU 76 HA GLU 76 -4.384 -1.472 17.161 604 HB2 GLU 76 2HB GLU 76 -3.426 -1.704 14.277 605 HB3 GLU 76 3HB GLU 76 -2.675 -2.502 15.656 606 HG2 GLU 76 2HG GLU 76 -5.392 -3.043 14.450 607 HG3 GLU 76 3HG GLU 76 -4.002 -4.117 14.499 608 H GLY 77 H GLY 77 -4.226 1.470 15.562 609 HA2 GLY 77 2HA GLY 77 -2.896 3.319 16.032 610 HA3 GLY 77 3HA GLY 77 -1.774 2.298 16.917 611 H VAL 78 H VAL 78 -2.505 1.015 13.879 612 HA VAL 78 HA VAL 78 0.040 1.755 12.706 613 HB VAL 78 HB VAL 78 -2.291 0.167 11.527 614 HG11 VAL 78 1HG1 VAL 78 0.571 0.410 10.512 615 HG12 VAL 78 2HG1 VAL 78 -0.860 1.109 9.750 616 HG13 VAL 78 3HG1 VAL 78 -0.673 -0.644 9.834 617 HG21 VAL 78 3HG2 VAL 78 -0.967 -1.861 12.047 618 HG22 VAL 78 1HG2 VAL 78 -1.345 -0.955 13.516 619 HG23 VAL 78 2HG2 VAL 78 0.272 -0.864 12.815 620 H SER 79 H SER 79 0.285 3.620 11.631 621 HA SER 79 HA SER 79 -1.936 5.260 10.753 622 HB2 SER 79 2HB SER 79 1.061 5.637 10.295 623 HB3 SER 79 3HB SER 79 -0.193 6.867 10.093 624 HG SER 79 HG SER 79 -0.588 6.169 12.472 625 H TYR 80 H TYR 80 -2.152 5.976 8.481 626 HA TYR 80 HA TYR 80 -0.870 4.460 6.373 627 HB2 TYR 80 2HB TYR 80 -2.979 3.547 5.403 628 HB3 TYR 80 3HB TYR 80 -2.619 2.853 6.978 629 HD1 TYR 80 HD1 TYR 80 -3.992 3.537 8.996 630 HD2 TYR 80 HD2 TYR 80 -5.013 4.834 5.044 631 HE1 TYR 80 HE1 TYR 80 -6.236 4.159 9.775 632 HE2 TYR 80 HE2 TYR 80 -7.252 5.459 5.831 633 HH TYR 80 HH TYR 80 -8.045 5.705 9.105 634 H ASP 81 H ASP 81 -1.004 5.480 4.411 635 HA ASP 81 HA ASP 81 -2.369 8.092 4.246 636 HB2 ASP 81 2HB ASP 81 0.182 8.132 4.342 637 HB3 ASP 81 3HB ASP 81 0.204 7.232 2.833 638 H VAL 82 H VAL 82 -4.083 7.891 2.885 639 HA VAL 82 HA VAL 82 -4.230 5.687 0.981 640 HB VAL 82 HB VAL 82 -6.320 7.811 1.655 641 HG11 VAL 82 1HG1 VAL 82 -6.610 5.235 0.061 642 HG12 VAL 82 2HG1 VAL 82 -6.702 6.870 -0.591 643 HG13 VAL 82 3HG1 VAL 82 -7.944 6.294 0.524 644 HG21 VAL 82 3HG2 VAL 82 -6.056 4.945 2.644 645 HG22 VAL 82 1HG2 VAL 82 -7.436 6.001 2.960 646 HG23 VAL 82 2HG2 VAL 82 -5.846 6.407 3.609 647 H LEU 83 H LEU 83 -3.642 5.898 -1.025 648 HA LEU 83 HA LEU 83 -3.639 8.498 -2.443 649 HB2 LEU 83 2HB LEU 83 -1.373 7.617 -2.100 650 HB3 LEU 83 3HB LEU 83 -1.850 6.055 -2.743 651 HG LEU 83 HG LEU 83 -2.248 7.173 -4.989 652 HD11 LEU 83 1HD1 LEU 83 -2.577 9.474 -4.251 653 HD12 LEU 83 2HD1 LEU 83 -1.271 9.378 -5.429 654 HD13 LEU 83 3HD1 LEU 83 -0.898 9.569 -3.713 655 HD21 LEU 83 3HD2 LEU 83 -0.223 5.901 -4.571 656 HD22 LEU 83 1HD2 LEU 83 0.565 7.322 -3.878 657 HD23 LEU 83 2HD2 LEU 83 0.132 7.294 -5.589 658 H LYS 84 H LYS 84 -5.071 8.563 -4.111 659 HA LYS 84 HA LYS 84 -5.776 6.058 -5.546 660 HB2 LYS 84 2HB LYS 84 -7.540 8.486 -5.020 661 HB3 LYS 84 3HB LYS 84 -7.976 7.151 -6.086 662 HG2 LYS 84 2HG LYS 84 -7.984 5.600 -4.198 663 HG3 LYS 84 3HG LYS 84 -7.435 6.881 -3.108 664 HD2 LYS 84 2HD LYS 84 -9.533 8.129 -3.523 665 HD3 LYS 84 3HD LYS 84 -10.073 6.862 -4.629 666 HE2 LYS 84 2HE LYS 84 -9.501 6.445 -1.678 667 HE3 LYS 84 3HE LYS 84 -11.105 6.702 -2.370 668 HZ1 LYS 84 3HZ LYS 84 -9.287 4.447 -3.015 669 HZ2 LYS 84 1HZ LYS 84 -10.815 4.707 -3.689 670 HZ3 LYS 84 2HZ LYS 84 -10.667 4.367 -2.042 671 H SER 85 H SER 85 -4.561 6.137 -7.330 672 HA SER 85 HA SER 85 -4.978 8.273 -9.268 673 HB2 SER 85 2HB SER 85 -2.142 7.568 -8.360 674 HB3 SER 85 3HB SER 85 -2.540 8.604 -9.729 675 HG SER 85 HG SER 85 -3.841 9.605 -7.712 676 H THR 86 H THR 86 -4.975 7.484 -11.328 677 HA THR 86 HA THR 86 -4.148 4.672 -11.814 678 HB THR 86 HB THR 86 -5.632 4.871 -13.881 679 HG1 THR 86 HG1 THR 86 -5.918 6.995 -14.207 680 HG21 THR 86 3HG2 THR 86 -7.793 4.621 -12.711 681 HG22 THR 86 1HG2 THR 86 -7.078 5.275 -11.233 682 HG23 THR 86 2HG2 THR 86 -6.519 3.730 -11.879 683 H ASP 87 H ASP 87 -1.923 5.131 -12.177 684 HA ASP 87 HA ASP 87 -1.080 6.180 -14.634 685 HB2 ASP 87 2HB ASP 87 -1.788 8.350 -13.519 686 HB3 ASP 87 3HB ASP 87 -0.537 8.084 -12.312 687 HA PRO 88 HA PRO 88 1.968 3.351 -12.979 688 HB2 PRO 88 2HB PRO 88 3.705 3.241 -15.119 689 HB3 PRO 88 3HB PRO 88 2.108 2.460 -15.119 690 HG2 PRO 88 2HG PRO 88 2.901 5.112 -16.296 691 HG3 PRO 88 3HG PRO 88 1.905 3.820 -17.008 692 HD2 PRO 88 2HD PRO 88 0.778 6.014 -15.886 693 HD3 PRO 88 3HD PRO 88 0.007 4.414 -15.783 694 H GLU 89 H GLU 89 3.059 6.541 -14.127 695 HA GLU 89 HA GLU 89 5.689 6.197 -12.838 696 HB2 GLU 89 2HB GLU 89 6.319 8.350 -13.866 697 HB3 GLU 89 3HB GLU 89 5.754 7.187 -15.057 698 HG2 GLU 89 2HG GLU 89 3.522 8.357 -15.025 699 HG3 GLU 89 3HG GLU 89 4.246 9.587 -13.990 700 H GLU 90 H GLU 90 2.620 7.773 -12.328 701 HA GLU 90 HA GLU 90 3.396 9.662 -10.332 702 HB2 GLU 90 2HB GLU 90 1.272 9.932 -11.506 703 HB3 GLU 90 3HB GLU 90 0.709 8.371 -10.932 704 HG2 GLU 90 2HG GLU 90 -0.439 9.989 -9.631 705 HG3 GLU 90 3HG GLU 90 0.785 9.306 -8.569 706 H LEU 91 H LEU 91 1.897 6.441 -10.175 707 HA LEU 91 HA LEU 91 1.642 6.315 -7.358 708 HB2 LEU 91 2HB LEU 91 1.845 4.068 -9.387 709 HB3 LEU 91 3HB LEU 91 1.404 3.826 -7.706 710 HG LEU 91 HG LEU 91 -0.207 5.427 -9.740 711 HD11 LEU 91 1HD1 LEU 91 -0.780 2.695 -8.546 712 HD12 LEU 91 2HD1 LEU 91 -0.291 3.025 -10.210 713 HD13 LEU 91 3HD1 LEU 91 -1.847 3.606 -9.622 714 HD21 LEU 91 3HD2 LEU 91 -0.481 6.342 -7.493 715 HD22 LEU 91 1HD2 LEU 91 -0.864 4.741 -6.858 716 HD23 LEU 91 2HD2 LEU 91 -1.951 5.522 -8.007 717 H THR 92 H THR 92 4.331 5.494 -9.501 718 HA THR 92 HA THR 92 5.922 4.062 -7.600 719 HB THR 92 HB THR 92 6.808 5.388 -10.202 720 HG1 THR 92 HG1 THR 92 5.083 3.794 -10.376 721 HG21 THR 92 3HG2 THR 92 8.733 4.752 -8.775 722 HG22 THR 92 1HG2 THR 92 8.625 3.701 -10.190 723 HG23 THR 92 2HG2 THR 92 8.081 3.120 -8.614 724 H GLN 93 H GLN 93 5.911 7.473 -8.755 725 HA GLN 93 HA GLN 93 8.233 8.228 -7.234 726 HB2 GLN 93 2HB GLN 93 7.739 10.543 -7.864 727 HB3 GLN 93 3HB GLN 93 7.635 9.477 -9.263 728 HG2 GLN 93 2HG GLN 93 5.155 9.487 -9.044 729 HG3 GLN 93 3HG GLN 93 5.303 10.623 -7.704 730 HE21 GLN 93 1HE2 GLN 93 5.748 10.180 -11.153 731 HE22 GLN 93 2HE2 GLN 93 5.749 11.860 -11.554 732 H ARG 94 H ARG 94 4.832 7.988 -6.533 733 HA ARG 94 HA ARG 94 4.882 9.521 -4.116 734 HB2 ARG 94 2HB ARG 94 2.947 7.366 -5.038 735 HB3 ARG 94 3HB ARG 94 2.713 8.372 -3.610 736 HG2 ARG 94 2HG ARG 94 2.853 9.363 -6.481 737 HG3 ARG 94 3HG ARG 94 1.388 9.202 -5.512 738 HD2 ARG 94 2HD ARG 94 2.136 10.961 -4.002 739 HD3 ARG 94 3HD ARG 94 3.711 11.036 -4.807 740 HE ARG 94 HE ARG 94 1.533 11.514 -6.608 741 HH11 ARG 94 1HH1 ARG 94 3.592 13.108 -4.229 742 HH12 ARG 94 2HH1 ARG 94 3.347 14.683 -4.914 743 HH21 ARG 94 1HH2 ARG 94 1.270 13.558 -7.510 744 HH22 ARG 94 2HH2 ARG 94 2.028 14.942 -6.781 745 H VAL 95 H VAL 95 5.439 6.103 -4.914 746 HA VAL 95 HA VAL 95 5.776 5.095 -2.292 747 HB VAL 95 HB VAL 95 7.094 4.153 -4.882 748 HG11 VAL 95 1HG1 VAL 95 6.888 2.669 -2.229 749 HG12 VAL 95 2HG1 VAL 95 8.371 3.270 -2.973 750 HG13 VAL 95 3HG1 VAL 95 7.464 1.965 -3.744 751 HG21 VAL 95 3HG2 VAL 95 4.592 3.130 -3.484 752 HG22 VAL 95 1HG2 VAL 95 5.312 2.432 -4.939 753 HG23 VAL 95 2HG2 VAL 95 4.637 4.059 -4.980 754 H ARG 96 H ARG 96 8.098 6.578 -4.583 755 HA ARG 96 HA ARG 96 10.390 6.072 -2.975 756 HB2 ARG 96 2HB ARG 96 11.691 7.271 -4.547 757 HB3 ARG 96 3HB ARG 96 10.414 6.520 -5.495 758 HG2 ARG 96 2HG ARG 96 9.218 8.672 -5.588 759 HG3 ARG 96 3HG ARG 96 10.477 9.423 -4.614 760 HD2 ARG 96 2HD ARG 96 12.120 8.951 -6.416 761 HD3 ARG 96 3HD ARG 96 10.816 8.262 -7.398 762 HE ARG 96 HE ARG 96 9.937 10.773 -6.699 763 HH11 ARG 96 1HH1 ARG 96 12.760 9.570 -8.443 764 HH12 ARG 96 2HH1 ARG 96 12.902 11.007 -9.407 765 HH21 ARG 96 1HH2 ARG 96 10.143 12.611 -7.977 766 HH22 ARG 96 2HH2 ARG 96 11.425 12.724 -9.143 767 H GLU 97 H GLU 97 8.311 8.975 -3.305 768 HA GLU 97 HA GLU 97 9.955 10.666 -1.684 769 HB2 GLU 97 2HB GLU 97 8.105 12.273 -1.758 770 HB3 GLU 97 3HB GLU 97 8.371 11.581 -3.356 771 HG2 GLU 97 2HG GLU 97 6.466 10.009 -2.930 772 HG3 GLU 97 3HG GLU 97 6.149 10.858 -1.417 773 H PHE 98 H PHE 98 7.207 8.522 -1.029 774 HA PHE 98 HA PHE 98 6.669 9.217 1.647 775 HB2 PHE 98 2HB PHE 98 5.166 7.858 0.223 776 HB3 PHE 98 3HB PHE 98 6.360 6.569 0.151 777 HD1 PHE 98 HD1 PHE 98 4.056 8.404 2.426 778 HD2 PHE 98 HD2 PHE 98 6.469 4.906 1.884 779 HE1 PHE 98 HE1 PHE 98 3.056 7.389 4.416 780 HE2 PHE 98 HE2 PHE 98 5.458 3.915 3.882 781 HZ PHE 98 HZ PHE 98 3.754 5.151 5.144 782 H LEU 99 H LEU 99 8.754 6.701 0.223 783 HA LEU 99 HA LEU 99 9.845 5.795 2.725 784 HB2 LEU 99 2HB LEU 99 10.662 5.237 -0.151 785 HB3 LEU 99 3HB LEU 99 11.401 4.460 1.243 786 HG LEU 99 HG LEU 99 8.496 4.181 0.373 787 HD11 LEU 99 1HD1 LEU 99 9.068 1.854 -0.135 788 HD12 LEU 99 2HD1 LEU 99 10.752 2.158 0.301 789 HD13 LEU 99 3HD1 LEU 99 10.036 2.975 -1.091 790 HD21 LEU 99 3HD2 LEU 99 9.916 2.887 2.734 791 HD22 LEU 99 1HD2 LEU 99 8.288 2.491 2.170 792 HD23 LEU 99 2HD2 LEU 99 8.629 4.094 2.816 793 H LYS 100 H LYS 100 10.617 8.396 0.577 794 HA LYS 100 HA LYS 100 13.344 8.755 1.365 795 HB2 LYS 100 2HB LYS 100 12.386 9.726 -0.724 796 HB3 LYS 100 3HB LYS 100 11.375 10.791 0.240 797 HG2 LYS 100 2HG LYS 100 13.318 12.000 -0.646 798 HG3 LYS 100 3HG LYS 100 13.381 11.933 1.118 799 HD2 LYS 100 2HD LYS 100 15.612 11.514 0.126 800 HD3 LYS 100 3HD LYS 100 15.039 10.101 1.012 801 HE2 LYS 100 2HE LYS 100 14.357 9.053 -1.141 802 HE3 LYS 100 3HE LYS 100 14.959 10.468 -2.008 803 HZ1 LYS 100 3HZ LYS 100 16.599 8.669 -0.321 804 HZ2 LYS 100 1HZ LYS 100 17.164 9.990 -1.209 805 HZ3 LYS 100 2HZ LYS 100 16.535 8.642 -2.009 806 H THR 101 H THR 101 10.245 10.188 2.444 807 HA THR 101 HA THR 101 11.545 11.997 4.303 808 HB THR 101 HB THR 101 9.110 12.631 4.823 809 HG1 THR 101 HG1 THR 101 8.319 11.278 2.504 810 HG21 THR 101 3HG2 THR 101 9.950 12.777 1.897 811 HG22 THR 101 1HG2 THR 101 10.405 13.927 3.159 812 HG23 THR 101 2HG2 THR 101 8.718 13.781 2.666 813 H ALA 102 H ALA 102 9.151 9.352 4.576 814 HA ALA 102 HA ALA 102 9.354 9.256 7.481 815 HB1 ALA 102 3HB ALA 102 7.151 9.076 6.388 816 HB2 ALA 102 1HB ALA 102 7.517 7.629 7.335 817 HB3 ALA 102 2HB ALA 102 7.671 7.597 5.575 818 H GLY 103 H GLY 103 11.282 8.020 5.125 819 HA2 GLY 103 2HA GLY 103 11.257 5.231 5.428 820 HA3 GLY 103 3HA GLY 103 12.537 6.167 4.702 821 H SER 104 H SER 104 14.330 6.760 5.940 822 HA SER 104 HA SER 104 14.901 4.994 8.181 823 HB2 SER 104 2HB SER 104 16.531 5.319 6.310 824 HB3 SER 104 3HB SER 104 16.694 7.018 6.751 825 HG SER 104 HG SER 104 17.108 5.458 8.913 826 H LEU 105 H LEU 105 13.353 7.866 7.989 827 HA LEU 105 HA LEU 105 14.321 8.895 10.598 828 HB2 LEU 105 2HB LEU 105 12.817 10.387 8.403 829 HB3 LEU 105 3HB LEU 105 13.379 11.075 9.921 830 HG LEU 105 HG LEU 105 15.108 10.128 7.602 831 HD11 LEU 105 1HD1 LEU 105 14.638 12.902 8.720 832 HD12 LEU 105 2HD1 LEU 105 14.031 12.260 7.189 833 HD13 LEU 105 3HD1 LEU 105 15.763 12.481 7.421 834 HD21 LEU 105 3HD2 LEU 105 17.052 10.938 8.900 835 HD22 LEU 105 1HD2 LEU 105 16.258 9.565 9.668 836 HD23 LEU 105 2HD2 LEU 105 16.007 11.196 10.302 837 H GLU 106 H GLU 106 12.689 9.572 12.085 838 HA GLU 106 HA GLU 106 9.898 8.759 11.502 839 HB2 GLU 106 2HB GLU 106 9.665 8.509 14.051 840 HB3 GLU 106 3HB GLU 106 10.591 7.277 13.216 841 HG2 GLU 106 2HG GLU 106 11.705 7.775 15.280 842 HG3 GLU 106 3HG GLU 106 12.698 8.377 13.958 843 H HIS 107 H HIS 107 8.266 10.077 12.682 844 HA HIS 107 HA HIS 107 9.112 12.872 13.157 845 HB2 HIS 107 2HB HIS 107 6.764 12.002 11.407 846 HB3 HIS 107 3HB HIS 107 7.080 13.665 11.903 847 HD1 HIS 107 HD1 HIS 107 8.157 11.050 9.500 848 HD2 HIS 107 HD2 HIS 107 9.379 14.844 10.678 849 HE1 HIS 107 HE1 HIS 107 9.830 11.789 7.781 850 HE2 HIS 107 HE2 HIS 107 10.601 14.056 8.548 851 H HIS 108 H HIS 108 8.496 13.497 15.080 852 HA HIS 108 HA HIS 108 7.084 11.797 16.853 853 HB2 HIS 108 2HB HIS 108 8.957 13.237 17.591 854 HB3 HIS 108 3HB HIS 108 8.019 14.679 17.217 855 HD1 HIS 108 HD1 HIS 108 6.233 15.411 18.917 856 HD2 HIS 108 HD2 HIS 108 8.164 11.882 19.969 857 HE1 HIS 108 HE1 HIS 108 5.556 14.949 21.291 858 HE2 HIS 108 HE2 HIS 108 6.828 12.877 21.935 859 H HIS 109 H HIS 109 5.030 11.548 15.978 860 HA HIS 109 HA HIS 109 3.122 13.789 16.220 861 HB2 HIS 109 2HB HIS 109 2.826 10.999 15.010 862 HB3 HIS 109 3HB HIS 109 1.516 12.172 15.128 863 HD1 HIS 109 HD1 HIS 109 3.952 11.013 12.787 864 HD2 HIS 109 HD2 HIS 109 2.339 14.727 13.721 865 HE1 HIS 109 HE1 HIS 109 4.339 12.450 10.771 866 HE2 HIS 109 HE2 HIS 109 3.180 14.618 11.292 867 H HIS 110 H HIS 110 3.438 10.341 17.103 868 HA HIS 110 HA HIS 110 2.895 10.708 19.869 869 HB2 HIS 110 2HB HIS 110 0.707 9.538 20.024 870 HB3 HIS 110 3HB HIS 110 0.554 11.018 19.083 871 HD1 HIS 110 HD1 HIS 110 0.157 10.747 16.492 872 HD2 HIS 110 HD2 HIS 110 0.152 7.185 18.619 873 HE1 HIS 110 HE1 HIS 110 -0.776 9.020 14.934 874 HE2 HIS 110 HE2 HIS 110 -0.643 6.854 16.201 875 H HIS 111 H HIS 111 3.473 8.861 21.019 876 HA HIS 111 HA HIS 111 4.155 6.397 19.505 877 HB2 HIS 111 2HB HIS 111 5.629 5.837 21.462 878 HB3 HIS 111 3HB HIS 111 6.105 7.312 20.639 879 HD1 HIS 111 HD1 HIS 111 6.218 9.431 22.017 880 HD2 HIS 111 HD2 HIS 111 4.460 6.279 24.078 881 HE1 HIS 111 HE1 HIS 111 6.021 10.195 24.398 882 HE2 HIS 111 HE2 HIS 111 5.208 8.179 25.647 883 H HIS 112 H HIS 112 1.465 7.068 20.219 884 HA HIS 112 HA HIS 112 0.793 4.895 22.123 885 HB2 HIS 112 2HB HIS 112 -0.548 7.629 21.876 886 HB3 HIS 112 3HB HIS 112 -1.216 6.286 22.801 887 HD1 HIS 112 HD1 HIS 112 0.287 5.443 24.851 888 HD2 HIS 112 HD2 HIS 112 1.319 9.144 23.264 889 HE1 HIS 112 HE1 HIS 112 1.723 6.547 26.581 890 HE2 HIS 112 HE2 HIS 112 2.212 8.832 25.664
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