NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
646730 | 6y06 | 34488 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 1 H GLU 1 -0.615 -8.305 6.871 2 HA GLU 1 HA GLU 1 1.548 -7.071 6.228 3 HB2 GLU 1 HB2 GLU 1 -0.304 -5.968 7.505 4 HB3 GLU 1 HB3 GLU 1 0.474 -6.495 8.998 5 HG2 GLU 1 HG2 GLU 1 2.543 -5.293 8.305 6 HG3 GLU 1 HG3 GLU 1 1.697 -4.707 6.879 7 H ALA 2 H ALA 2 3.693 -6.917 6.626 8 HA ALA 2 HA ALA 2 5.015 -8.912 8.116 9 HB1 ALA 2 HB1 ALA 2 5.869 -6.350 6.809 10 HB2 ALA 2 HB2 ALA 2 6.315 -8.007 6.408 11 HB3 ALA 2 HB3 ALA 2 7.002 -7.230 7.833 12 H ALA 3 H ALA 3 6.102 -8.845 10.086 13 HA ALA 3 HA ALA 3 4.877 -7.426 12.179 14 HB1 ALA 3 HB1 ALA 3 6.733 -8.252 13.568 15 HB2 ALA 3 HB2 ALA 3 7.619 -8.711 12.114 16 HB3 ALA 3 HB3 ALA 3 6.109 -9.526 12.521 17 H ALA 4 H ALA 4 5.483 -5.627 13.360 18 HA ALA 4 HA ALA 4 7.359 -3.807 11.988 19 HB1 ALA 4 HB1 ALA 4 6.182 -2.009 13.156 20 HB2 ALA 4 HB2 ALA 4 5.188 -3.192 14.005 21 HB3 ALA 4 HB3 ALA 4 5.040 -3.007 12.257 22 H ALA 5 H ALA 5 8.928 -2.680 13.145 23 HA ALA 5 HA ALA 5 9.723 -3.950 15.681 24 HB1 ALA 5 HB1 ALA 5 11.495 -4.051 14.112 25 HB2 ALA 5 HB2 ALA 5 11.912 -2.715 15.186 26 HB3 ALA 5 HB3 ALA 5 11.234 -2.387 13.591 27 H ALA 6 H ALA 6 10.532 -2.605 17.409 28 HA ALA 6 HA ALA 6 8.836 -0.526 18.159 29 HB1 ALA 6 HB1 ALA 6 10.091 -1.631 19.854 30 HB2 ALA 6 HB2 ALA 6 10.676 0.032 19.822 31 HB3 ALA 6 HB3 ALA 6 11.621 -1.251 19.067 32 H ARG 7 H ARG 7 9.150 1.739 18.327 33 HA ARG 7 HA ARG 7 9.973 2.996 15.985 34 HB2 ARG 7 HB2 ARG 7 8.428 3.973 17.679 35 HB3 ARG 7 HB3 ARG 7 9.815 4.261 18.729 36 HG2 ARG 7 HG2 ARG 7 10.852 5.648 16.947 37 HG3 ARG 7 HG3 ARG 7 9.416 5.411 15.950 38 HD2 ARG 7 HD2 ARG 7 8.043 6.427 17.782 39 HD3 ARG 7 HD3 ARG 7 9.535 6.766 18.656 40 HE ARG 7 HE ARG 7 9.360 7.806 15.932 41 HH11 ARG 7 HH11 ARG 7 9.041 8.507 19.360 42 HH12 ARG 7 HH12 ARG 7 9.199 10.214 19.124 43 HH21 ARG 7 HH21 ARG 7 9.550 10.015 15.695 44 HH22 ARG 7 HH22 ARG 7 9.479 11.057 17.078 45 H ASP 8 H ASP 8 11.738 2.552 19.036 46 HA ASP 8 HA ASP 8 13.972 4.138 18.355 47 HB2 ASP 8 HB2 ASP 8 15.131 2.979 20.159 48 HB3 ASP 8 HB3 ASP 8 13.495 3.391 20.656 49 H GLU 9 H GLU 9 13.267 0.704 17.846 50 HA GLU 9 HA GLU 9 15.815 0.102 16.682 51 HB2 GLU 9 HB2 GLU 9 13.165 -1.354 16.575 52 HB3 GLU 9 HB3 GLU 9 14.692 -2.006 15.974 53 HG2 GLU 9 HG2 GLU 9 15.673 -1.716 18.243 54 HG3 GLU 9 HG3 GLU 9 14.107 -1.165 18.825 55 H SER 10 H SER 10 12.635 0.990 15.404 56 HA SER 10 HA SER 10 13.132 0.419 12.694 57 HB2 SER 10 HB2 SER 10 11.214 1.817 12.226 58 HB3 SER 10 HB3 SER 10 10.894 0.903 13.696 59 HG SER 10 HG SER 10 10.438 3.043 14.050 60 H ALA 11 H ALA 11 13.716 3.341 14.612 61 HA ALA 11 HA ALA 11 14.600 4.949 12.433 62 HB1 ALA 11 HB1 ALA 11 15.516 5.300 15.279 63 HB2 ALA 11 HB2 ALA 11 13.864 5.683 14.795 64 HB3 ALA 11 HB3 ALA 11 15.220 6.534 14.055 65 H TYR 12 H TYR 12 16.247 2.813 14.721 66 HA TYR 12 HA TYR 12 18.902 3.480 14.115 67 HB2 TYR 12 HB2 TYR 12 18.145 2.071 16.013 68 HB3 TYR 12 HB3 TYR 12 17.775 0.785 14.883 69 HD1 TYR 12 HD1 TYR 12 20.502 2.796 16.387 70 HD2 TYR 12 HD2 TYR 12 19.497 -0.650 14.027 71 HE1 TYR 12 HE1 TYR 12 22.827 1.965 16.612 72 HE2 TYR 12 HE2 TYR 12 21.824 -1.481 14.250 73 HH TYR 12 HH TYR 12 23.751 -1.174 15.522 74 H LEU 13 H LEU 13 16.750 1.045 12.660 75 HA LEU 13 HA LEU 13 18.661 -0.158 10.990 76 HB2 LEU 13 HB2 LEU 13 15.670 0.116 10.620 77 HB3 LEU 13 HB3 LEU 13 16.704 -0.970 9.694 78 HG LEU 13 HG LEU 13 16.474 -1.032 12.716 79 HD11 LEU 13 HD11 LEU 13 14.350 -1.636 11.457 80 HD12 LEU 13 HD12 LEU 13 15.011 -2.927 12.460 81 HD13 LEU 13 HD13 LEU 13 15.256 -2.953 10.714 82 HD21 LEU 13 HD21 LEU 13 18.523 -2.032 12.134 83 HD22 LEU 13 HD22 LEU 13 17.882 -2.685 10.627 84 HD23 LEU 13 HD23 LEU 13 17.416 -3.405 12.168 85 H LYS 14 H LYS 14 16.354 2.479 10.273 86 HA LYS 14 HA LYS 14 17.066 2.682 7.547 87 HB2 LYS 14 HB2 LYS 14 15.772 4.687 9.393 88 HB3 LYS 14 HB3 LYS 14 15.958 4.925 7.653 89 HG2 LYS 14 HG2 LYS 14 14.720 2.819 7.244 90 HG3 LYS 14 HG3 LYS 14 14.492 2.626 8.983 91 HD2 LYS 14 HD2 LYS 14 12.486 3.633 8.117 92 HD3 LYS 14 HD3 LYS 14 13.362 4.891 8.990 93 HE2 LYS 14 HE2 LYS 14 13.936 6.028 7.063 94 HE3 LYS 14 HE3 LYS 14 13.942 4.572 6.069 95 HZ1 LYS 14 HZ1 LYS 14 11.514 5.877 7.169 96 HZ2 LYS 14 HZ2 LYS 14 11.550 4.513 6.155 97 HZ3 LYS 14 HZ3 LYS 14 12.066 6.023 5.572 98 H LEU 15 H LEU 15 18.379 4.231 10.434 99 HA LEU 15 HA LEU 15 19.950 6.195 9.208 100 HB2 LEU 15 HB2 LEU 15 20.438 4.565 11.708 101 HB3 LEU 15 HB3 LEU 15 21.432 5.941 11.229 102 HG LEU 15 HG LEU 15 18.439 6.213 11.432 103 HD11 LEU 15 HD11 LEU 15 18.825 5.516 13.623 104 HD12 LEU 15 HD12 LEU 15 19.116 7.248 13.766 105 HD13 LEU 15 HD13 LEU 15 20.475 6.134 13.639 106 HD21 LEU 15 HD21 LEU 15 20.168 7.913 10.390 107 HD22 LEU 15 HD22 LEU 15 20.512 8.294 12.075 108 HD23 LEU 15 HD23 LEU 15 18.881 8.506 11.437 109 H GLN 16 H GLN 16 20.601 2.752 9.749 110 HA GLN 16 HA GLN 16 23.257 2.670 8.855 111 HB2 GLN 16 HB2 GLN 16 22.050 0.778 9.936 112 HB3 GLN 16 HB3 GLN 16 21.125 0.557 8.450 113 HG2 GLN 16 HG2 GLN 16 23.301 0.270 7.223 114 HG3 GLN 16 HG3 GLN 16 24.124 0.294 8.782 115 HE21 GLN 16 HE21 GLN 16 24.594 -1.808 9.424 116 HE22 GLN 16 HE22 GLN 16 23.573 -3.145 9.203 117 H GLU 17 H GLU 17 20.203 2.508 7.054 118 HA GLU 17 HA GLU 17 21.326 1.993 4.517 119 HB2 GLU 17 HB2 GLU 17 18.755 3.397 5.270 120 HB3 GLU 17 HB3 GLU 17 19.170 2.870 3.639 121 HG2 GLU 17 HG2 GLU 17 19.410 0.541 4.487 122 HG3 GLU 17 HG3 GLU 17 18.895 1.089 6.076 123 H GLN 18 H GLN 18 20.683 5.023 6.243 124 HA GLN 18 HA GLN 18 21.202 6.815 4.149 125 HB2 GLN 18 HB2 GLN 18 21.721 7.098 7.116 126 HB3 GLN 18 HB3 GLN 18 21.787 8.427 5.960 127 HG2 GLN 18 HG2 GLN 18 19.447 8.052 5.352 128 HG3 GLN 18 HG3 GLN 18 19.367 6.675 6.447 129 HE21 GLN 18 HE21 GLN 18 17.588 8.831 6.792 130 HE22 GLN 18 HE22 GLN 18 17.991 9.665 8.215 131 H MET 19 H MET 19 23.395 5.125 6.347 132 HA MET 19 HA MET 19 25.738 6.566 5.782 133 HB2 MET 19 HB2 MET 19 25.369 4.885 7.637 134 HB3 MET 19 HB3 MET 19 25.606 3.620 6.430 135 HG2 MET 19 HG2 MET 19 27.814 4.675 5.851 136 HG3 MET 19 HG3 MET 19 27.587 5.776 7.211 137 HE1 MET 19 HE1 MET 19 26.261 3.427 9.599 138 HE2 MET 19 HE2 MET 19 26.746 5.090 9.280 139 HE3 MET 19 HE3 MET 19 27.767 4.056 10.278 140 H ARG 20 H ARG 20 24.256 3.789 4.153 141 HA ARG 20 HA ARG 20 26.395 3.084 2.492 142 HB2 ARG 20 HB2 ARG 20 24.282 1.769 2.774 143 HB3 ARG 20 HB3 ARG 20 23.461 2.956 1.758 144 HG2 ARG 20 HG2 ARG 20 25.088 2.501 -0.059 145 HG3 ARG 20 HG3 ARG 20 25.847 1.269 0.946 146 HD2 ARG 20 HD2 ARG 20 23.640 0.084 1.062 147 HD3 ARG 20 HD3 ARG 20 22.995 1.262 -0.080 148 HE ARG 20 HE ARG 20 24.041 0.080 -1.752 149 HH11 ARG 20 HH11 ARG 20 25.705 -0.653 1.250 150 HH12 ARG 20 HH12 ARG 20 26.799 -1.761 0.491 151 HH21 ARG 20 HH21 ARG 20 25.483 -1.357 -2.676 152 HH22 ARG 20 HH22 ARG 20 26.678 -2.148 -1.702 153 H LYS 21 H LYS 21 23.826 5.487 2.029 154 HA LYS 21 HA LYS 21 24.525 6.259 -0.593 155 HB2 LYS 21 HB2 LYS 21 22.406 6.889 0.572 156 HB3 LYS 21 HB3 LYS 21 23.334 8.014 1.566 157 HG2 LYS 21 HG2 LYS 21 24.116 9.155 -0.501 158 HG3 LYS 21 HG3 LYS 21 23.102 8.073 -1.456 159 HD2 LYS 21 HD2 LYS 21 21.120 8.882 -0.128 160 HD3 LYS 21 HD3 LYS 21 22.178 10.083 0.614 161 HE2 LYS 21 HE2 LYS 21 22.013 9.848 -2.383 162 HE3 LYS 21 HE3 LYS 21 20.805 10.774 -1.491 163 HZ1 LYS 21 HZ1 LYS 21 22.986 11.740 -0.385 164 HZ2 LYS 21 HZ2 LYS 21 22.332 12.391 -1.811 165 HZ3 LYS 21 HZ3 LYS 21 23.645 11.315 -1.889 166 H ILE 22 H ILE 22 25.584 7.450 2.583 167 HA ILE 22 HA ILE 22 27.295 9.493 1.640 168 HB ILE 22 HB ILE 22 27.650 7.818 4.143 169 HG12 ILE 22 HG12 ILE 22 26.135 10.427 3.788 170 HG13 ILE 22 HG13 ILE 22 25.366 8.845 3.922 171 HG21 ILE 22 HG21 ILE 22 28.395 10.716 3.874 172 HG22 ILE 22 HG22 ILE 22 29.480 9.504 3.203 173 HG23 ILE 22 HG23 ILE 22 29.086 9.479 4.918 174 HD11 ILE 22 HD11 ILE 22 25.317 9.667 6.131 175 HD12 ILE 22 HD12 ILE 22 26.941 10.345 6.006 176 HD13 ILE 22 HD13 ILE 22 26.722 8.599 6.116 177 H ASP 23 H ASP 23 27.861 6.060 2.371 178 HA ASP 23 HA ASP 23 30.604 5.974 1.764 179 HB2 ASP 23 HB2 ASP 23 28.485 3.835 1.432 180 HB3 ASP 23 HB3 ASP 23 30.224 3.551 1.394 181 H ALA 24 H ALA 24 27.736 5.572 -0.295 182 HA ALA 24 HA ALA 24 29.144 4.996 -2.691 183 HB1 ALA 24 HB1 ALA 24 27.060 5.444 -3.819 184 HB2 ALA 24 HB2 ALA 24 26.451 6.352 -2.435 185 HB3 ALA 24 HB3 ALA 24 26.688 4.609 -2.310 186 H ASP 25 H ASP 25 27.908 8.012 -1.282 187 HA ASP 25 HA ASP 25 28.723 9.756 -3.333 188 HB2 ASP 25 HB2 ASP 25 28.461 10.233 -0.356 189 HB3 ASP 25 HB3 ASP 25 28.675 11.505 -1.557 190 H ALA 26 H ALA 26 30.466 8.458 -0.532 191 HA ALA 26 HA ALA 26 32.779 10.032 -0.704 192 HB1 ALA 26 HB1 ALA 26 33.855 8.334 0.608 193 HB2 ALA 26 HB2 ALA 26 32.691 7.115 0.086 194 HB3 ALA 26 HB3 ALA 26 32.177 8.425 1.147 195 H ALA 27 H ALA 27 31.895 7.029 -2.381 196 HA ALA 27 HA ALA 27 34.341 6.688 -3.772 197 HB1 ALA 27 HB1 ALA 27 32.952 4.806 -3.807 198 HB2 ALA 27 HB2 ALA 27 32.758 5.456 -5.435 199 HB3 ALA 27 HB3 ALA 27 31.520 5.750 -4.216 200 H ALA 28 H ALA 28 31.344 8.425 -4.559 201 HA ALA 28 HA ALA 28 32.113 9.241 -7.163 202 HB1 ALA 28 HB1 ALA 28 29.776 9.309 -6.203 203 HB2 ALA 28 HB2 ALA 28 30.273 10.774 -7.048 204 HB3 ALA 28 HB3 ALA 28 30.270 10.732 -5.285 205 H LEU 29 H LEU 29 32.427 10.775 -3.971 206 HA LEU 29 HA LEU 29 33.543 13.201 -4.818 207 HB2 LEU 29 HB2 LEU 29 33.417 11.661 -2.296 208 HB3 LEU 29 HB3 LEU 29 34.773 12.771 -2.395 209 HG LEU 29 HG LEU 29 32.772 13.795 -1.351 210 HD11 LEU 29 HD11 LEU 29 32.985 15.867 -2.436 211 HD12 LEU 29 HD12 LEU 29 33.222 15.120 -4.016 212 HD13 LEU 29 HD13 LEU 29 34.501 15.043 -2.804 213 HD21 LEU 29 HD21 LEU 29 31.513 13.458 -4.092 214 HD22 LEU 29 HD22 LEU 29 30.814 14.343 -2.737 215 HD23 LEU 29 HD23 LEU 29 31.029 12.597 -2.630 216 H SER 30 H SER 30 35.101 10.093 -4.068 217 HA SER 30 HA SER 30 37.751 10.935 -4.643 218 HB2 SER 30 HB2 SER 30 37.152 8.820 -3.449 219 HB3 SER 30 HB3 SER 30 36.567 8.170 -4.976 220 HG SER 30 HG SER 30 38.583 7.676 -5.226 221 H GLU 31 H GLU 31 35.151 9.607 -6.636 222 HA GLU 31 HA GLU 31 36.707 9.192 -8.971 223 HB2 GLU 31 HB2 GLU 31 34.512 8.104 -8.491 224 HB3 GLU 31 HB3 GLU 31 33.725 9.653 -8.800 225 HG2 GLU 31 HG2 GLU 31 34.758 9.688 -11.066 226 HG3 GLU 31 HG3 GLU 31 35.440 8.098 -10.756 227 H THR 32 H THR 32 34.900 11.985 -7.773 228 HA THR 32 HA THR 32 35.774 13.496 -10.169 229 HB THR 32 HB THR 32 33.388 12.995 -10.348 230 HG1 THR 32 HG1 THR 32 32.759 15.239 -10.332 231 HG21 THR 32 HG21 THR 32 32.045 14.460 -8.505 232 HG22 THR 32 HG22 THR 32 33.388 13.894 -7.515 233 HG23 THR 32 HG23 THR 32 32.348 12.734 -8.339 234 H ARG 33 H ARG 33 36.134 15.730 -9.887 235 HA ARG 33 HA ARG 33 36.951 16.398 -7.138 236 HB2 ARG 33 HB2 ARG 33 37.696 17.777 -9.721 237 HB3 ARG 33 HB3 ARG 33 38.400 18.063 -8.132 238 HG2 ARG 33 HG2 ARG 33 38.497 15.406 -9.589 239 HG3 ARG 33 HG3 ARG 33 39.808 16.585 -9.586 240 HD2 ARG 33 HD2 ARG 33 39.858 16.445 -7.087 241 HD3 ARG 33 HD3 ARG 33 38.651 15.165 -7.172 242 HE ARG 33 HE ARG 33 41.466 14.955 -7.852 243 HH11 ARG 33 HH11 ARG 33 38.296 13.477 -8.185 244 HH12 ARG 33 HH12 ARG 33 38.955 11.926 -8.586 245 HH21 ARG 33 HH21 ARG 33 42.250 12.936 -8.369 246 HH22 ARG 33 HH22 ARG 33 41.165 11.624 -8.687 247 H THR 34 H THR 34 34.248 16.975 -8.963 248 HA THR 34 HA THR 34 34.000 19.801 -8.810 249 HB THR 34 HB THR 34 32.692 18.482 -10.399 250 HG1 THR 34 HG1 THR 34 31.083 19.801 -10.162 251 HG21 THR 34 HG21 THR 34 32.365 16.512 -8.867 252 HG22 THR 34 HG22 THR 34 30.892 17.037 -9.681 253 HG23 THR 34 HG23 THR 34 31.164 17.462 -7.992 254 H ILE 35 H ILE 35 33.471 21.080 -7.186 255 HA ILE 35 HA ILE 35 32.992 20.121 -4.560 256 HB ILE 35 HB ILE 35 34.064 22.284 -5.069 257 HG12 ILE 35 HG12 ILE 35 31.532 22.734 -3.486 258 HG13 ILE 35 HG13 ILE 35 32.846 21.720 -2.887 259 HG21 ILE 35 HG21 ILE 35 32.299 22.786 -6.926 260 HG22 ILE 35 HG22 ILE 35 32.914 24.124 -5.953 261 HG23 ILE 35 HG23 ILE 35 31.332 23.428 -5.597 262 HD11 ILE 35 HD11 ILE 35 33.357 24.527 -3.866 263 HD12 ILE 35 HD12 ILE 35 34.368 23.528 -2.820 264 HD13 ILE 35 HD13 ILE 35 32.863 24.211 -2.203 265 H GLU 36 H GLU 36 30.824 20.808 -7.197 266 HA GLU 36 HA GLU 36 28.531 21.619 -5.830 267 HB2 GLU 36 HB2 GLU 36 28.761 19.942 -8.339 268 HB3 GLU 36 HB3 GLU 36 27.282 20.725 -7.781 269 HG2 GLU 36 HG2 GLU 36 28.452 22.922 -7.861 270 HG3 GLU 36 HG3 GLU 36 29.872 22.116 -8.513 271 H GLU 37 H GLU 37 29.753 18.349 -6.466 272 HA GLU 37 HA GLU 37 27.540 16.973 -5.330 273 HB2 GLU 37 HB2 GLU 37 30.435 16.154 -5.663 274 HB3 GLU 37 HB3 GLU 37 29.148 15.067 -5.147 275 HG2 GLU 37 HG2 GLU 37 29.287 16.550 -7.788 276 HG3 GLU 37 HG3 GLU 37 29.537 14.825 -7.553 277 H LEU 38 H LEU 38 30.557 18.243 -3.981 278 HA LEU 38 HA LEU 38 30.332 17.115 -1.408 279 HB2 LEU 38 HB2 LEU 38 32.390 18.170 -2.295 280 HB3 LEU 38 HB3 LEU 38 31.607 19.747 -2.188 281 HG LEU 38 HG LEU 38 31.259 19.320 0.273 282 HD11 LEU 38 HD11 LEU 38 31.403 16.930 0.386 283 HD12 LEU 38 HD12 LEU 38 32.816 17.553 1.234 284 HD13 LEU 38 HD13 LEU 38 32.980 16.923 -0.406 285 HD21 LEU 38 HD21 LEU 38 33.460 20.011 0.862 286 HD22 LEU 38 HD22 LEU 38 33.223 20.594 -0.786 287 HD23 LEU 38 HD23 LEU 38 34.179 19.141 -0.493 288 H ASP 39 H ASP 39 28.964 20.061 -2.808 289 HA ASP 39 HA ASP 39 28.166 21.370 -0.480 290 HB2 ASP 39 HB2 ASP 39 28.033 22.274 -2.822 291 HB3 ASP 39 HB3 ASP 39 26.594 21.283 -3.060 292 H THR 40 H THR 40 26.509 18.831 -2.321 293 HA THR 40 HA THR 40 24.206 18.773 -0.618 294 HB THR 40 HB THR 40 23.660 16.691 -1.790 295 HG1 THR 40 HG1 THR 40 25.145 15.726 -2.980 296 HG21 THR 40 HG21 THR 40 23.112 18.736 -2.950 297 HG22 THR 40 HG22 THR 40 23.759 17.602 -4.136 298 HG23 THR 40 HG23 THR 40 24.771 18.911 -3.524 299 H PHE 41 H PHE 41 27.282 17.030 -0.705 300 HA PHE 41 HA PHE 41 26.642 14.981 1.104 301 HB2 PHE 41 HB2 PHE 41 28.642 14.890 -0.239 302 HB3 PHE 41 HB3 PHE 41 29.264 16.342 0.506 303 HD1 PHE 41 HD1 PHE 41 31.355 15.038 0.861 304 HD2 PHE 41 HD2 PHE 41 27.667 13.937 2.769 305 HE1 PHE 41 HE1 PHE 41 32.607 13.641 2.480 306 HE2 PHE 41 HE2 PHE 41 28.927 12.551 4.394 307 HZ PHE 41 HZ PHE 41 31.381 12.389 4.244 308 H LYS 42 H LYS 42 28.061 18.202 1.697 309 HA LYS 42 HA LYS 42 28.444 17.904 4.460 310 HB2 LYS 42 HB2 LYS 42 27.794 20.413 2.894 311 HB3 LYS 42 HB3 LYS 42 28.440 20.372 4.536 312 HG2 LYS 42 HG2 LYS 42 30.378 19.012 3.624 313 HG3 LYS 42 HG3 LYS 42 29.779 19.382 2.009 314 HD2 LYS 42 HD2 LYS 42 30.501 21.471 4.085 315 HD3 LYS 42 HD3 LYS 42 31.557 20.968 2.765 316 HE2 LYS 42 HE2 LYS 42 29.480 21.532 1.260 317 HE3 LYS 42 HE3 LYS 42 28.981 22.506 2.642 318 HZ1 LYS 42 HZ1 LYS 42 30.373 23.674 0.937 319 HZ2 LYS 42 HZ2 LYS 42 31.675 22.697 1.425 320 HZ3 LYS 42 HZ3 LYS 42 30.953 23.767 2.529 321 H LEU 43 H LEU 43 25.629 19.037 2.623 322 HA LEU 43 HA LEU 43 24.038 19.628 4.916 323 HB2 LEU 43 HB2 LEU 43 23.648 20.546 2.615 324 HB3 LEU 43 HB3 LEU 43 23.085 18.947 2.128 325 HG LEU 43 HG LEU 43 21.481 19.140 4.170 326 HD11 LEU 43 HD11 LEU 43 22.782 21.306 4.859 327 HD12 LEU 43 HD12 LEU 43 21.025 21.276 5.020 328 HD13 LEU 43 HD13 LEU 43 21.770 22.088 3.644 329 HD21 LEU 43 HD21 LEU 43 19.801 20.193 2.769 330 HD22 LEU 43 HD22 LEU 43 20.849 19.222 1.735 331 HD23 LEU 43 HD23 LEU 43 21.045 20.973 1.793 332 H ASP 44 H ASP 44 24.415 16.776 2.855 333 HA ASP 44 HA ASP 44 22.225 15.294 3.791 334 HB2 ASP 44 HB2 ASP 44 24.906 14.366 2.745 335 HB3 ASP 44 HB3 ASP 44 23.526 13.304 3.016 336 H VAL 45 H VAL 45 25.547 15.527 5.015 337 HA VAL 45 HA VAL 45 25.317 13.537 7.007 338 HB VAL 45 HB VAL 45 27.061 16.015 6.956 339 HG11 VAL 45 HG11 VAL 45 27.235 13.466 8.593 340 HG12 VAL 45 HG12 VAL 45 26.969 15.095 9.213 341 HG13 VAL 45 HG13 VAL 45 28.519 14.671 8.485 342 HG21 VAL 45 HG21 VAL 45 27.802 13.173 6.237 343 HG22 VAL 45 HG22 VAL 45 28.705 14.650 5.904 344 HG23 VAL 45 HG23 VAL 45 27.209 14.316 5.034 345 H ALA 46 H ALA 46 24.545 17.000 7.006 346 HA ALA 46 HA ALA 46 24.053 17.340 9.739 347 HB1 ALA 46 HB1 ALA 46 22.942 19.325 9.158 348 HB2 ALA 46 HB2 ALA 46 22.371 18.666 7.626 349 HB3 ALA 46 HB3 ALA 46 24.073 19.086 7.826 350 H ASP 47 H ASP 47 21.922 16.161 7.152 351 HA ASP 47 HA ASP 47 19.579 15.914 8.711 352 HB2 ASP 47 HB2 ASP 47 20.496 14.312 6.310 353 HB3 ASP 47 HB3 ASP 47 18.865 14.287 6.977 354 H PHE 48 H PHE 48 22.214 13.635 8.020 355 HA PHE 48 HA PHE 48 21.188 11.464 9.511 356 HB2 PHE 48 HB2 PHE 48 23.010 11.249 7.880 357 HB3 PHE 48 HB3 PHE 48 24.050 12.214 8.910 358 HD1 PHE 48 HD1 PHE 48 25.016 11.306 10.931 359 HD2 PHE 48 HD2 PHE 48 22.443 8.916 8.452 360 HE1 PHE 48 HE1 PHE 48 25.785 9.266 12.109 361 HE2 PHE 48 HE2 PHE 48 23.210 6.872 9.636 362 HZ PHE 48 HZ PHE 48 24.889 7.045 11.461 363 H VAL 49 H VAL 49 23.423 14.092 10.380 364 HA VAL 49 HA VAL 49 23.894 13.225 13.033 365 HB VAL 49 HB VAL 49 24.043 16.014 11.852 366 HG11 VAL 49 HG11 VAL 49 24.066 16.318 14.200 367 HG12 VAL 49 HG12 VAL 49 25.774 16.247 13.763 368 HG13 VAL 49 HG13 VAL 49 24.984 14.837 14.469 369 HG21 VAL 49 HG21 VAL 49 25.474 14.016 10.916 370 HG22 VAL 49 HG22 VAL 49 26.380 14.205 12.414 371 HG23 VAL 49 HG23 VAL 49 26.262 15.550 11.280 372 H THR 50 H THR 50 21.558 15.550 11.667 373 HA THR 50 HA THR 50 20.444 16.395 14.105 374 HB THR 50 HB THR 50 19.031 16.149 11.439 375 HG1 THR 50 HG1 THR 50 19.863 18.152 11.103 376 HG21 THR 50 HG21 THR 50 18.476 17.587 14.019 377 HG22 THR 50 HG22 THR 50 17.366 16.681 12.990 378 HG23 THR 50 HG23 THR 50 17.922 18.280 12.495 379 H THR 51 H THR 51 19.585 13.691 11.970 380 HA THR 51 HA THR 51 17.301 12.846 13.406 381 HB THR 51 HB THR 51 19.195 11.130 11.784 382 HG1 THR 51 HG1 THR 51 18.357 12.094 10.153 383 HG21 THR 51 HG21 THR 51 16.259 10.849 12.489 384 HG22 THR 51 HG22 THR 51 17.575 9.866 13.130 385 HG23 THR 51 HG23 THR 51 17.158 9.771 11.420 386 H VAL 52 H VAL 52 20.725 11.916 13.634 387 HA VAL 52 HA VAL 52 20.332 9.949 15.655 388 HB VAL 52 HB VAL 52 22.819 11.516 14.911 389 HG11 VAL 52 HG11 VAL 52 22.403 9.047 16.615 390 HG12 VAL 52 HG12 VAL 52 23.184 10.559 17.080 391 HG13 VAL 52 HG13 VAL 52 23.966 9.481 15.924 392 HG21 VAL 52 HG21 VAL 52 22.221 8.663 14.167 393 HG22 VAL 52 HG22 VAL 52 23.316 9.804 13.390 394 HG23 VAL 52 HG23 VAL 52 21.575 9.977 13.186 395 H VAL 53 H VAL 53 21.290 13.378 15.746 396 HA VAL 53 HA VAL 53 21.628 13.510 18.559 397 HB VAL 53 HB VAL 53 20.927 15.704 16.585 398 HG11 VAL 53 HG11 VAL 53 21.779 15.743 19.479 399 HG12 VAL 53 HG12 VAL 53 20.457 16.621 18.709 400 HG13 VAL 53 HG13 VAL 53 22.127 17.101 18.409 401 HG21 VAL 53 HG21 VAL 53 23.131 14.260 16.399 402 HG22 VAL 53 HG22 VAL 53 23.647 15.230 17.774 403 HG23 VAL 53 HG23 VAL 53 23.213 16.013 16.255 404 H GLN 54 H GLN 54 18.876 14.311 16.438 405 HA GLN 54 HA GLN 54 17.078 15.030 18.490 406 HB2 GLN 54 HB2 GLN 54 16.704 15.464 16.061 407 HB3 GLN 54 HB3 GLN 54 16.403 13.740 15.836 408 HG2 GLN 54 HG2 GLN 54 14.535 13.836 17.421 409 HG3 GLN 54 HG3 GLN 54 14.847 15.543 17.713 410 HE21 GLN 54 HE21 GLN 54 12.318 14.952 16.831 411 HE22 GLN 54 HE22 GLN 54 12.124 15.387 15.202 412 H LEU 55 H LEU 55 17.765 11.907 16.934 413 HA LEU 55 HA LEU 55 15.861 10.356 18.301 414 HB2 LEU 55 HB2 LEU 55 17.215 9.562 16.368 415 HB3 LEU 55 HB3 LEU 55 18.632 9.510 17.417 416 HG LEU 55 HG LEU 55 17.297 7.961 18.938 417 HD11 LEU 55 HD11 LEU 55 15.058 8.226 18.325 418 HD12 LEU 55 HD12 LEU 55 15.481 6.728 17.500 419 HD13 LEU 55 HD13 LEU 55 15.427 8.245 16.601 420 HD21 LEU 55 HD21 LEU 55 17.488 6.024 17.193 421 HD22 LEU 55 HD22 LEU 55 18.952 6.888 17.664 422 HD23 LEU 55 HD23 LEU 55 18.156 7.268 16.136 423 H ALA 56 H ALA 56 19.182 11.273 19.169 424 HA ALA 56 HA ALA 56 19.351 9.804 21.570 425 HB1 ALA 56 HB1 ALA 56 21.300 10.997 21.990 426 HB2 ALA 56 HB2 ALA 56 20.668 12.481 21.276 427 HB3 ALA 56 HB3 ALA 56 21.168 11.146 20.237 428 H GLU 57 H GLU 57 18.131 13.055 20.870 429 HA GLU 57 HA GLU 57 17.681 13.869 23.536 430 HB2 GLU 57 HB2 GLU 57 17.674 15.364 21.524 431 HB3 GLU 57 HB3 GLU 57 16.108 14.682 21.084 432 HG2 GLU 57 HG2 GLU 57 15.214 15.387 23.299 433 HG3 GLU 57 HG3 GLU 57 16.759 16.147 23.653 434 H GLU 58 H GLU 58 15.651 12.127 21.208 435 HA GLU 58 HA GLU 58 13.298 12.136 22.801 436 HB2 GLU 58 HB2 GLU 58 14.185 10.292 20.572 437 HB3 GLU 58 HB3 GLU 58 12.584 10.257 21.302 438 HG2 GLU 58 HG2 GLU 58 13.839 12.599 19.843 439 HG3 GLU 58 HG3 GLU 58 12.534 11.581 19.247 440 H LEU 59 H LEU 59 16.065 9.946 22.619 441 HA LEU 59 HA LEU 59 14.978 7.746 23.953 442 HB2 LEU 59 HB2 LEU 59 17.797 8.822 23.869 443 HB3 LEU 59 HB3 LEU 59 17.375 7.310 24.672 444 HG LEU 59 HG LEU 59 16.636 7.876 21.796 445 HD11 LEU 59 HD11 LEU 59 19.178 7.873 22.388 446 HD12 LEU 59 HD12 LEU 59 18.621 6.846 21.067 447 HD13 LEU 59 HD13 LEU 59 18.947 6.144 22.651 448 HD21 LEU 59 HD21 LEU 59 15.327 6.097 22.616 449 HD22 LEU 59 HD22 LEU 59 16.633 5.485 23.631 450 HD23 LEU 59 HD23 LEU 59 16.703 5.273 21.882 451 H GLU 60 H GLU 60 16.556 10.643 25.299 452 HA GLU 60 HA GLU 60 16.354 9.779 28.012 453 HB2 GLU 60 HB2 GLU 60 16.696 12.538 26.823 454 HB3 GLU 60 HB3 GLU 60 16.803 12.177 28.546 455 HG2 GLU 60 HG2 GLU 60 18.631 10.558 28.062 456 HG3 GLU 60 HG3 GLU 60 18.556 11.012 26.364 457 H HIS 61 H HIS 61 14.311 11.763 25.912 458 HA HIS 61 HA HIS 61 12.584 12.626 28.029 459 HB2 HIS 61 HB2 HIS 61 12.299 12.703 25.030 460 HB3 HIS 61 HB3 HIS 61 11.136 13.404 26.139 461 HD1 HIS 61 HD1 HIS 61 12.575 15.208 24.131 462 HD2 HIS 61 HD2 HIS 61 13.987 14.510 27.991 463 HE1 HIS 61 HE1 HIS 61 14.077 17.163 24.708 464 H ARG 62 H ARG 62 12.373 10.079 25.552 465 HA ARG 62 HA ARG 62 9.617 9.530 26.383 466 HB2 ARG 62 HB2 ARG 62 11.173 8.365 24.065 467 HB3 ARG 62 HB3 ARG 62 9.444 8.197 24.357 468 HG2 ARG 62 HG2 ARG 62 10.854 10.848 23.927 469 HG3 ARG 62 HG3 ARG 62 10.010 9.958 22.662 470 HD2 ARG 62 HD2 ARG 62 7.926 10.064 24.027 471 HD3 ARG 62 HD3 ARG 62 8.784 11.048 25.210 472 HE ARG 62 HE ARG 62 8.939 12.102 22.532 473 HH11 ARG 62 HH11 ARG 62 6.950 12.026 25.423 474 HH12 ARG 62 HH12 ARG 62 6.190 13.540 25.060 475 HH21 ARG 62 HH21 ARG 62 7.935 14.051 22.123 476 HH22 ARG 62 HH22 ARG 62 6.743 14.671 23.216 477 H PHE 63 H PHE 63 12.086 7.176 25.299 478 HA PHE 63 HA PHE 63 10.976 5.150 26.949 479 HB2 PHE 63 HB2 PHE 63 13.590 5.293 25.455 480 HB3 PHE 63 HB3 PHE 63 12.990 3.853 26.256 481 HD1 PHE 63 HD1 PHE 63 12.785 5.977 23.322 482 HD2 PHE 63 HD2 PHE 63 10.860 2.786 25.457 483 HE1 PHE 63 HE1 PHE 63 11.479 5.408 21.292 484 HE2 PHE 63 HE2 PHE 63 9.554 2.215 23.427 485 HZ PHE 63 HZ PHE 63 9.863 3.526 21.345 486 H GLY 64 H GLY 64 13.654 7.380 27.382 487 HA2 GLY 64 HA2 GLY 64 14.752 7.939 29.358 488 HA3 GLY 64 HA3 GLY 64 13.885 6.649 30.179 489 H ARG 65 H ARG 65 15.625 5.967 27.215 490 HA ARG 65 HA ARG 65 17.806 4.710 28.781 491 HB2 ARG 65 HB2 ARG 65 16.485 3.650 26.272 492 HB3 ARG 65 HB3 ARG 65 17.866 2.922 27.087 493 HG2 ARG 65 HG2 ARG 65 15.154 3.354 28.368 494 HG3 ARG 65 HG3 ARG 65 15.695 1.828 27.671 495 HD2 ARG 65 HD2 ARG 65 17.675 1.918 29.244 496 HD3 ARG 65 HD3 ARG 65 16.900 3.292 30.032 497 HE ARG 65 HE ARG 65 15.494 1.799 31.080 498 HH11 ARG 65 HH11 ARG 65 16.782 0.228 28.215 499 HH12 ARG 65 HH12 ARG 65 15.993 -1.276 28.559 500 HH21 ARG 65 HH21 ARG 65 14.508 -0.168 31.478 501 HH22 ARG 65 HH22 ARG 65 14.724 -1.495 30.386 502 H ASN 66 H ASN 66 19.233 6.435 28.431 503 HA ASN 66 HA ASN 66 20.067 6.822 25.609 504 HB2 ASN 66 HB2 ASN 66 19.165 8.818 27.017 505 HB3 ASN 66 HB3 ASN 66 20.737 8.750 27.808 506 HD21 ASN 66 HD21 ASN 66 20.989 10.972 26.735 507 HD22 ASN 66 HD22 ASN 66 21.540 11.018 25.131 508 H ARG 67 H ARG 67 21.948 5.976 25.092 509 HA ARG 67 HA ARG 67 23.536 4.521 26.885 510 HB2 ARG 67 HB2 ARG 67 24.228 5.617 24.152 511 HB3 ARG 67 HB3 ARG 67 25.166 4.402 25.021 512 HG2 ARG 67 HG2 ARG 67 23.154 2.939 25.098 513 HG3 ARG 67 HG3 ARG 67 22.277 4.134 24.141 514 HD2 ARG 67 HD2 ARG 67 24.061 3.908 22.373 515 HD3 ARG 67 HD3 ARG 67 24.728 2.567 23.301 516 HE ARG 67 HE ARG 67 21.948 2.176 22.824 517 HH11 ARG 67 HH11 ARG 67 25.045 1.992 21.184 518 HH12 ARG 67 HH12 ARG 67 24.490 0.798 20.057 519 HH21 ARG 67 HH21 ARG 67 21.290 0.641 21.348 520 HH22 ARG 67 HH22 ARG 67 22.389 0.043 20.150 521 H ARG 68 H ARG 68 23.792 7.873 25.797 522 HA ARG 68 HA ARG 68 25.866 8.323 27.809 523 HB2 ARG 68 HB2 ARG 68 27.338 9.473 26.204 524 HB3 ARG 68 HB3 ARG 68 27.140 7.770 25.797 525 HG2 ARG 68 HG2 ARG 68 25.378 8.394 24.155 526 HG3 ARG 68 HG3 ARG 68 25.669 10.094 24.521 527 HD2 ARG 68 HD2 ARG 68 26.949 9.577 22.554 528 HD3 ARG 68 HD3 ARG 68 28.089 9.720 23.888 529 HE ARG 68 HE ARG 68 28.608 7.493 23.593 530 HH11 ARG 68 HH11 ARG 68 25.485 8.064 22.095 531 HH12 ARG 68 HH12 ARG 68 25.389 6.460 21.450 532 HH21 ARG 68 HH21 ARG 68 28.425 5.439 22.743 533 HH22 ARG 68 HH22 ARG 68 27.035 4.993 21.813 534 H GLY 69 H GLY 69 26.385 10.684 28.010 535 HA2 GLY 69 HA2 GLY 69 23.912 12.128 28.255 536 HA3 GLY 69 HA3 GLY 69 25.509 12.704 28.717 537 H ARG 70 H ARG 70 23.760 14.430 27.550 538 HA ARG 70 HA ARG 70 23.832 14.597 24.735 539 HB2 ARG 70 HB2 ARG 70 23.598 16.852 26.740 540 HB3 ARG 70 HB3 ARG 70 23.130 16.915 25.042 541 HG2 ARG 70 HG2 ARG 70 21.939 15.002 27.068 542 HG3 ARG 70 HG3 ARG 70 21.200 16.529 26.594 543 HD2 ARG 70 HD2 ARG 70 21.207 15.726 24.216 544 HD3 ARG 70 HD3 ARG 70 21.784 14.165 24.791 545 HE ARG 70 HE ARG 70 19.650 13.704 25.561 546 HH11 ARG 70 HH11 ARG 70 19.854 17.139 24.866 547 HH12 ARG 70 HH12 ARG 70 18.159 17.393 25.115 548 HH21 ARG 70 HH21 ARG 70 17.474 14.093 25.878 549 HH22 ARG 70 HH22 ARG 70 16.831 15.690 25.683 550 H THR 71 H THR 71 26.064 15.758 27.215 551 HA THR 71 HA THR 71 27.454 17.629 25.636 552 HB THR 71 HB THR 71 29.227 17.455 27.326 553 HG1 THR 71 HG1 THR 71 29.399 15.673 28.359 554 HG21 THR 71 HG21 THR 71 26.373 17.406 28.324 555 HG22 THR 71 HG22 THR 71 27.356 18.819 27.937 556 HG23 THR 71 HG23 THR 71 27.742 17.836 29.349 557 H GLU 72 H GLU 72 28.046 14.170 26.206 558 HA GLU 72 HA GLU 72 30.483 14.039 24.772 559 HB2 GLU 72 HB2 GLU 72 28.420 11.898 25.331 560 HB3 GLU 72 HB3 GLU 72 30.032 11.593 24.679 561 HG2 GLU 72 HG2 GLU 72 31.017 12.693 26.683 562 HG3 GLU 72 HG3 GLU 72 29.400 12.893 27.342 563 H ILE 73 H ILE 73 27.108 13.686 23.769 564 HA ILE 73 HA ILE 73 27.624 12.780 21.135 565 HB ILE 73 HB ILE 73 25.258 14.390 22.137 566 HG12 ILE 73 HG12 ILE 73 25.591 11.382 21.913 567 HG13 ILE 73 HG13 ILE 73 25.734 12.279 23.426 568 HG21 ILE 73 HG21 ILE 73 24.078 13.439 20.242 569 HG22 ILE 73 HG22 ILE 73 25.478 12.455 19.812 570 HG23 ILE 73 HG23 ILE 73 25.547 14.210 19.641 571 HD11 ILE 73 HD11 ILE 73 23.491 11.640 23.480 572 HD12 ILE 73 HD12 ILE 73 23.298 11.806 21.734 573 HD13 ILE 73 HD13 ILE 73 23.385 13.243 22.752 574 H TYR 74 H TYR 74 27.247 16.025 22.528 575 HA TYR 74 HA TYR 74 27.259 17.440 20.081 576 HB2 TYR 74 HB2 TYR 74 28.080 18.310 22.850 577 HB3 TYR 74 HB3 TYR 74 27.899 19.395 21.484 578 HD1 TYR 74 HD1 TYR 74 25.453 18.389 20.192 579 HD2 TYR 74 HD2 TYR 74 26.389 18.861 24.357 580 HE1 TYR 74 HE1 TYR 74 23.039 18.625 20.707 581 HE2 TYR 74 HE2 TYR 74 23.975 19.095 24.873 582 HH TYR 74 HH TYR 74 21.927 19.533 23.835 583 H LYS 75 H LYS 75 29.873 16.428 22.247 584 HA LYS 75 HA LYS 75 31.985 17.875 21.125 585 HB2 LYS 75 HB2 LYS 75 32.116 16.515 23.209 586 HB3 LYS 75 HB3 LYS 75 32.089 15.054 22.224 587 HG2 LYS 75 HG2 LYS 75 34.141 15.846 21.050 588 HG3 LYS 75 HG3 LYS 75 34.194 17.236 22.137 589 HD2 LYS 75 HD2 LYS 75 34.270 15.641 24.075 590 HD3 LYS 75 HD3 LYS 75 34.402 14.316 22.920 591 HE2 LYS 75 HE2 LYS 75 36.319 16.654 22.927 592 HE3 LYS 75 HE3 LYS 75 36.610 15.186 23.860 593 HZ1 LYS 75 HZ1 LYS 75 36.251 15.379 20.919 594 HZ2 LYS 75 HZ2 LYS 75 36.373 13.918 21.778 595 HZ3 LYS 75 HZ3 LYS 75 37.684 14.999 21.745 596 H ILE 76 H ILE 76 30.588 14.770 20.185 597 HA ILE 76 HA ILE 76 32.485 14.125 18.181 598 HB ILE 76 HB ILE 76 29.597 13.242 18.451 599 HG12 ILE 76 HG12 ILE 76 32.071 11.758 19.356 600 HG13 ILE 76 HG13 ILE 76 31.208 12.846 20.439 601 HG21 ILE 76 HG21 ILE 76 30.687 11.169 17.285 602 HG22 ILE 76 HG22 ILE 76 31.930 12.315 16.789 603 HG23 ILE 76 HG23 ILE 76 30.255 12.567 16.299 604 HD11 ILE 76 HD11 ILE 76 29.860 10.585 18.957 605 HD12 ILE 76 HD12 ILE 76 29.188 11.558 20.263 606 HD13 ILE 76 HD13 ILE 76 30.499 10.422 20.589 607 H VAL 77 H VAL 77 29.416 15.895 18.118 608 HA VAL 77 HA VAL 77 29.108 15.980 15.314 609 HB VAL 77 HB VAL 77 28.128 17.942 17.406 610 HG11 VAL 77 HG11 VAL 77 27.352 17.468 14.517 611 HG12 VAL 77 HG12 VAL 77 27.894 18.977 15.255 612 HG13 VAL 77 HG13 VAL 77 26.310 18.315 15.660 613 HG21 VAL 77 HG21 VAL 77 27.496 15.435 17.585 614 HG22 VAL 77 HG22 VAL 77 26.570 15.704 16.110 615 HG23 VAL 77 HG23 VAL 77 26.180 16.607 17.573 616 H LYS 78 H LYS 78 30.685 18.243 17.571 617 HA LYS 78 HA LYS 78 31.237 20.275 15.714 618 HB2 LYS 78 HB2 LYS 78 32.891 19.483 18.123 619 HB3 LYS 78 HB3 LYS 78 32.935 21.037 17.295 620 HG2 LYS 78 HG2 LYS 78 30.482 19.872 18.640 621 HG3 LYS 78 HG3 LYS 78 31.533 21.091 19.355 622 HD2 LYS 78 HD2 LYS 78 31.060 22.559 17.360 623 HD3 LYS 78 HD3 LYS 78 29.860 21.372 16.843 624 HE2 LYS 78 HE2 LYS 78 29.789 22.545 19.619 625 HE3 LYS 78 HE3 LYS 78 29.025 23.366 18.259 626 HZ1 LYS 78 HZ1 LYS 78 27.426 21.810 18.098 627 HZ2 LYS 78 HZ2 LYS 78 27.802 21.528 19.731 628 HZ3 LYS 78 HZ3 LYS 78 28.456 20.530 18.520 629 H GLU 79 H GLU 79 33.055 17.350 16.544 630 HA GLU 79 HA GLU 79 35.370 17.971 15.032 631 HB2 GLU 79 HB2 GLU 79 34.219 15.297 15.855 632 HB3 GLU 79 HB3 GLU 79 35.826 15.530 15.166 633 HG2 GLU 79 HG2 GLU 79 36.365 17.089 17.031 634 HG3 GLU 79 HG3 GLU 79 34.792 16.751 17.738 635 H VAL 80 H VAL 80 32.324 16.388 14.195 636 HA VAL 80 HA VAL 80 33.114 15.356 11.683 637 HB VAL 80 HB VAL 80 30.373 16.231 12.638 638 HG11 VAL 80 HG11 VAL 80 31.157 14.367 10.374 639 HG12 VAL 80 HG12 VAL 80 30.479 15.983 10.179 640 HG13 VAL 80 HG13 VAL 80 29.510 14.702 10.909 641 HG21 VAL 80 HG21 VAL 80 30.082 14.088 13.509 642 HG22 VAL 80 HG22 VAL 80 31.780 14.379 13.884 643 HG23 VAL 80 HG23 VAL 80 31.340 13.390 12.493 644 H ASP 81 H ASP 81 31.717 18.464 12.657 645 HA ASP 81 HA ASP 81 31.153 19.458 10.093 646 HB2 ASP 81 HB2 ASP 81 31.903 20.947 12.617 647 HB3 ASP 81 HB3 ASP 81 31.207 21.687 11.178 648 H ARG 82 H ARG 82 34.101 19.641 12.055 649 HA ARG 82 HA ARG 82 35.483 21.479 10.429 650 HB2 ARG 82 HB2 ARG 82 36.141 20.848 12.750 651 HB3 ARG 82 HB3 ARG 82 36.693 19.292 12.131 652 HG2 ARG 82 HG2 ARG 82 38.250 20.461 10.602 653 HG3 ARG 82 HG3 ARG 82 37.723 22.009 11.262 654 HD2 ARG 82 HD2 ARG 82 38.458 21.231 13.526 655 HD3 ARG 82 HD3 ARG 82 39.102 19.774 12.774 656 HE ARG 82 HE ARG 82 40.921 21.017 12.098 657 HH11 ARG 82 HH11 ARG 82 38.290 23.254 12.734 658 HH12 ARG 82 HH12 ARG 82 39.279 24.650 12.461 659 HH21 ARG 82 HH21 ARG 82 42.144 22.858 11.760 660 HH22 ARG 82 HH22 ARG 82 41.428 24.427 11.915 661 H LYS 83 H LYS 83 35.300 17.936 10.323 662 HA LYS 83 HA LYS 83 37.346 17.529 8.426 663 HB2 LYS 83 HB2 LYS 83 34.850 15.880 8.878 664 HB3 LYS 83 HB3 LYS 83 36.298 15.349 8.026 665 HG2 LYS 83 HG2 LYS 83 36.240 16.234 10.925 666 HG3 LYS 83 HG3 LYS 83 36.223 14.553 10.392 667 HD2 LYS 83 HD2 LYS 83 38.376 15.028 9.145 668 HD3 LYS 83 HD3 LYS 83 38.419 16.590 9.953 669 HE2 LYS 83 HE2 LYS 83 37.989 14.532 11.945 670 HE3 LYS 83 HE3 LYS 83 39.361 14.095 10.935 671 HZ1 LYS 83 HZ1 LYS 83 39.795 15.565 12.933 672 HZ2 LYS 83 HZ2 LYS 83 39.077 16.817 12.037 673 HZ3 LYS 83 HZ3 LYS 83 40.476 16.045 11.456 674 H LEU 84 H LEU 84 33.825 17.906 7.960 675 HA LEU 84 HA LEU 84 33.901 17.730 5.134 676 HB2 LEU 84 HB2 LEU 84 31.935 19.079 6.993 677 HB3 LEU 84 HB3 LEU 84 31.684 18.895 5.259 678 HG LEU 84 HG LEU 84 32.344 16.502 6.963 679 HD11 LEU 84 HD11 LEU 84 30.309 17.881 7.814 680 HD12 LEU 84 HD12 LEU 84 30.076 16.158 7.515 681 HD13 LEU 84 HD13 LEU 84 29.515 17.342 6.334 682 HD21 LEU 84 HD21 LEU 84 32.385 16.458 4.424 683 HD22 LEU 84 HD22 LEU 84 30.654 16.788 4.462 684 HD23 LEU 84 HD23 LEU 84 31.282 15.296 5.160 685 H LEU 85 H LEU 85 34.181 20.472 7.363 686 HA LEU 85 HA LEU 85 34.211 22.516 5.407 687 HB2 LEU 85 HB2 LEU 85 33.901 22.882 7.857 688 HB3 LEU 85 HB3 LEU 85 35.607 22.500 8.093 689 HG LEU 85 HG LEU 85 36.115 24.349 6.402 690 HD11 LEU 85 HD11 LEU 85 34.262 26.086 6.290 691 HD12 LEU 85 HD12 LEU 85 33.173 24.848 6.914 692 HD13 LEU 85 HD13 LEU 85 33.970 24.618 5.358 693 HD21 LEU 85 HD21 LEU 85 36.437 24.648 8.822 694 HD22 LEU 85 HD22 LEU 85 34.736 25.076 9.007 695 HD23 LEU 85 HD23 LEU 85 35.817 26.134 8.100 696 H ASP 86 H ASP 86 36.812 20.620 6.921 697 HA ASP 86 HA ASP 86 38.963 21.924 5.631 698 HB2 ASP 86 HB2 ASP 86 38.727 19.094 6.672 699 HB3 ASP 86 HB3 ASP 86 40.230 19.832 6.135 700 H LEU 87 H LEU 87 36.996 19.120 4.725 701 HA LEU 87 HA LEU 87 38.433 18.368 2.431 702 HB2 LEU 87 HB2 LEU 87 36.683 16.977 3.496 703 HB3 LEU 87 HB3 LEU 87 35.458 18.117 2.940 704 HG LEU 87 HG LEU 87 36.211 17.696 0.587 705 HD11 LEU 87 HD11 LEU 87 38.071 15.860 2.059 706 HD12 LEU 87 HD12 LEU 87 38.396 16.907 0.679 707 HD13 LEU 87 HD13 LEU 87 37.512 15.399 0.452 708 HD21 LEU 87 HD21 LEU 87 34.881 15.791 0.362 709 HD22 LEU 87 HD22 LEU 87 34.387 16.365 1.955 710 HD23 LEU 87 HD23 LEU 87 35.539 15.036 1.815 711 H THR 88 H THR 88 35.834 20.738 2.884 712 HA THR 88 HA THR 88 35.370 21.371 0.193 713 HB THR 88 HB THR 88 35.292 23.281 2.542 714 HG1 THR 88 HG1 THR 88 33.733 22.060 3.133 715 HG21 THR 88 HG21 THR 88 33.446 24.288 1.123 716 HG22 THR 88 HG22 THR 88 33.990 23.243 -0.189 717 HG23 THR 88 HG23 THR 88 35.074 24.469 0.470 718 H ASP 89 H ASP 89 37.770 22.624 2.483 719 HA ASP 89 HA ASP 89 38.882 24.618 0.843 720 HB2 ASP 89 HB2 ASP 89 40.176 22.927 2.993 721 HB3 ASP 89 HB3 ASP 89 40.887 24.379 2.293 722 H ALA 90 H ALA 90 39.585 21.154 1.118 723 HA ALA 90 HA ALA 90 41.892 21.127 -0.513 724 HB1 ALA 90 HB1 ALA 90 40.799 19.272 1.017 725 HB2 ALA 90 HB2 ALA 90 41.769 18.821 -0.386 726 HB3 ALA 90 HB3 ALA 90 40.008 18.803 -0.487 727 H VAL 91 H VAL 91 38.444 20.797 -1.272 728 HA VAL 91 HA VAL 91 38.750 20.139 -4.006 729 HB VAL 91 HB VAL 91 36.472 21.616 -2.656 730 HG11 VAL 91 HG11 VAL 91 35.166 20.533 -4.551 731 HG12 VAL 91 HG12 VAL 91 36.718 20.146 -5.293 732 HG13 VAL 91 HG13 VAL 91 36.257 21.829 -5.040 733 HG21 VAL 91 HG21 VAL 91 36.694 18.658 -3.260 734 HG22 VAL 91 HG22 VAL 91 35.477 19.470 -2.277 735 HG23 VAL 91 HG23 VAL 91 37.135 19.340 -1.696 736 H LEU 92 H LEU 92 38.347 23.248 -2.330 737 HA LEU 92 HA LEU 92 38.465 24.876 -4.647 738 HB2 LEU 92 HB2 LEU 92 39.243 25.552 -1.800 739 HB3 LEU 92 HB3 LEU 92 38.920 26.712 -3.088 740 HG LEU 92 HG LEU 92 36.913 24.676 -2.082 741 HD11 LEU 92 HD11 LEU 92 37.662 26.642 -0.526 742 HD12 LEU 92 HD12 LEU 92 35.938 26.358 -0.768 743 HD13 LEU 92 HD13 LEU 92 36.752 27.650 -1.650 744 HD21 LEU 92 HD21 LEU 92 36.885 26.863 -4.150 745 HD22 LEU 92 HD22 LEU 92 35.394 26.413 -3.323 746 HD23 LEU 92 HD23 LEU 92 36.271 25.214 -4.273 747 H ALA 93 H ALA 93 40.966 23.432 -2.632 748 HA ALA 93 HA ALA 93 43.140 25.046 -3.306 749 HB1 ALA 93 HB1 ALA 93 43.263 23.335 -1.560 750 HB2 ALA 93 HB2 ALA 93 44.541 23.093 -2.751 751 HB3 ALA 93 HB3 ALA 93 43.107 22.066 -2.776 752 H LYS 94 H LYS 94 44.670 24.999 -4.915 753 HA LYS 94 HA LYS 94 43.767 24.444 -7.517 754 HB2 LYS 94 HB2 LYS 94 46.623 24.806 -6.578 755 HB3 LYS 94 HB3 LYS 94 46.039 24.986 -8.231 756 HG2 LYS 94 HG2 LYS 94 45.095 26.649 -5.878 757 HG3 LYS 94 HG3 LYS 94 46.288 27.174 -7.065 758 HD2 LYS 94 HD2 LYS 94 44.558 26.774 -8.859 759 HD3 LYS 94 HD3 LYS 94 43.378 26.503 -7.576 760 HE2 LYS 94 HE2 LYS 94 45.055 29.010 -7.685 761 HE3 LYS 94 HE3 LYS 94 43.512 28.885 -8.531 762 HZ1 LYS 94 HZ1 LYS 94 42.990 29.773 -6.452 763 HZ2 LYS 94 HZ2 LYS 94 44.034 28.717 -5.626 764 HZ3 LYS 94 HZ3 LYS 94 42.592 28.130 -6.307 765 H GLU 95 H GLU 95 45.841 22.568 -5.338 766 HA GLU 95 HA GLU 95 46.000 20.438 -7.389 767 HB2 GLU 95 HB2 GLU 95 47.716 20.949 -4.951 768 HB3 GLU 95 HB3 GLU 95 47.894 19.573 -6.040 769 HG2 GLU 95 HG2 GLU 95 48.246 21.154 -7.930 770 HG3 GLU 95 HG3 GLU 95 48.156 22.497 -6.799 771 H LYS 96 H LYS 96 45.326 18.385 -6.944 772 HA LYS 96 HA LYS 96 44.678 17.415 -4.350 773 HB2 LYS 96 HB2 LYS 96 42.227 17.310 -4.609 774 HB3 LYS 96 HB3 LYS 96 42.805 18.970 -4.525 775 HG2 LYS 96 HG2 LYS 96 42.634 17.827 -7.270 776 HG3 LYS 96 HG3 LYS 96 41.098 18.027 -6.444 777 HD2 LYS 96 HD2 LYS 96 42.944 20.348 -6.241 778 HD3 LYS 96 HD3 LYS 96 42.360 19.996 -7.861 779 HE2 LYS 96 HE2 LYS 96 40.021 19.822 -6.570 780 HE3 LYS 96 HE3 LYS 96 40.850 20.911 -5.458 781 HZ1 LYS 96 HZ1 LYS 96 40.273 21.310 -8.329 782 HZ2 LYS 96 HZ2 LYS 96 41.461 22.221 -7.525 783 HZ3 LYS 96 HZ3 LYS 96 39.841 22.295 -7.019 784 H LYS 97 H LYS 97 44.057 15.208 -4.389 785 HA LYS 97 HA LYS 97 43.710 13.972 -7.032 786 HB2 LYS 97 HB2 LYS 97 45.326 12.244 -6.586 787 HB3 LYS 97 HB3 LYS 97 46.110 13.811 -6.423 788 HG2 LYS 97 HG2 LYS 97 45.771 13.666 -3.946 789 HG3 LYS 97 HG3 LYS 97 45.135 12.033 -4.170 790 HD2 LYS 97 HD2 LYS 97 47.305 11.481 -5.375 791 HD3 LYS 97 HD3 LYS 97 47.925 13.026 -4.797 792 HE2 LYS 97 HE2 LYS 97 46.676 11.147 -2.822 793 HE3 LYS 97 HE3 LYS 97 48.313 10.824 -3.388 794 HZ1 LYS 97 HZ1 LYS 97 49.086 12.832 -2.556 795 HZ2 LYS 97 HZ2 LYS 97 48.030 12.287 -1.341 796 HZ3 LYS 97 HZ3 LYS 97 47.532 13.501 -2.421 797 H GLY 98 H GLY 98 42.974 11.678 -6.857 798 HA2 GLY 98 HA2 GLY 98 40.500 11.701 -5.585 799 HA3 GLY 98 HA3 GLY 98 41.275 10.264 -6.237 800 H GLU 99 H GLU 99 43.536 10.162 -4.508 801 HA GLU 99 HA GLU 99 42.359 8.703 -2.387 802 HB2 GLU 99 HB2 GLU 99 45.205 9.650 -2.761 803 HB3 GLU 99 HB3 GLU 99 44.683 8.510 -1.521 804 HG2 GLU 99 HG2 GLU 99 43.786 7.026 -3.311 805 HG3 GLU 99 HG3 GLU 99 44.420 8.138 -4.517 806 H ASP 100 H ASP 100 43.758 11.959 -2.534 807 HA ASP 100 HA ASP 100 43.765 12.507 0.223 808 HB2 ASP 100 HB2 ASP 100 43.392 14.331 -2.156 809 HB3 ASP 100 HB3 ASP 100 43.563 14.914 -0.505 810 H ILE 101 H ILE 101 41.210 12.820 -2.207 811 HA ILE 101 HA ILE 101 39.335 14.155 -0.562 812 HB ILE 101 HB ILE 101 38.751 12.267 -2.855 813 HG12 ILE 101 HG12 ILE 101 40.352 13.962 -3.591 814 HG13 ILE 101 HG13 ILE 101 38.771 14.291 -4.282 815 HG21 ILE 101 HG21 ILE 101 37.187 14.633 -1.783 816 HG22 ILE 101 HG22 ILE 101 36.822 12.945 -1.432 817 HG23 ILE 101 HG23 ILE 101 36.697 13.547 -3.085 818 HD11 ILE 101 HD11 ILE 101 40.399 15.956 -2.553 819 HD12 ILE 101 HD12 ILE 101 38.802 15.717 -1.847 820 HD13 ILE 101 HD13 ILE 101 38.959 16.381 -3.470 821 H LEU 102 H LEU 102 39.772 10.707 -1.324 822 HA LEU 102 HA LEU 102 37.514 9.817 0.132 823 HB2 LEU 102 HB2 LEU 102 38.653 8.532 -1.673 824 HB3 LEU 102 HB3 LEU 102 40.001 8.249 -0.571 825 HG LEU 102 HG LEU 102 38.317 7.251 1.051 826 HD11 LEU 102 HD11 LEU 102 36.241 6.377 -0.289 827 HD12 LEU 102 HD12 LEU 102 36.580 7.741 -1.355 828 HD13 LEU 102 HD13 LEU 102 36.221 8.022 0.348 829 HD21 LEU 102 HD21 LEU 102 38.457 5.115 0.044 830 HD22 LEU 102 HD22 LEU 102 39.817 5.997 -0.651 831 HD23 LEU 102 HD23 LEU 102 38.337 5.781 -1.585 832 H ASN 103 H ASN 103 40.935 10.160 1.017 833 HA ASN 103 HA ASN 103 40.877 8.740 3.426 834 HB2 ASN 103 HB2 ASN 103 42.543 11.074 2.501 835 HB3 ASN 103 HB3 ASN 103 42.779 10.326 4.079 836 HD21 ASN 103 HD21 ASN 103 44.755 9.225 3.714 837 HD22 ASN 103 HD22 ASN 103 44.956 8.038 2.518 838 H MET 104 H MET 104 40.071 12.123 2.747 839 HA MET 104 HA MET 104 39.658 12.913 5.439 840 HB2 MET 104 HB2 MET 104 38.435 13.960 2.872 841 HB3 MET 104 HB3 MET 104 38.339 14.771 4.431 842 HG2 MET 104 HG2 MET 104 40.898 14.114 2.942 843 HG3 MET 104 HG3 MET 104 40.155 15.707 3.041 844 HE1 MET 104 HE1 MET 104 39.376 16.659 5.033 845 HE2 MET 104 HE2 MET 104 40.525 17.052 6.310 846 HE3 MET 104 HE3 MET 104 39.366 15.746 6.547 847 H VAL 105 H VAL 105 37.510 11.545 2.978 848 HA VAL 105 HA VAL 105 35.123 11.818 4.503 849 HB VAL 105 HB VAL 105 35.719 9.921 2.220 850 HG11 VAL 105 HG11 VAL 105 33.176 10.215 1.916 851 HG12 VAL 105 HG12 VAL 105 33.174 10.835 3.567 852 HG13 VAL 105 HG13 VAL 105 33.708 9.185 3.246 853 HG21 VAL 105 HG21 VAL 105 34.825 11.638 0.774 854 HG22 VAL 105 HG22 VAL 105 36.092 12.377 1.755 855 HG23 VAL 105 HG23 VAL 105 34.396 12.648 2.155 856 H ALA 106 H ALA 106 37.534 9.259 4.197 857 HA ALA 106 HA ALA 106 36.096 7.130 5.285 858 HB1 ALA 106 HB1 ALA 106 39.035 7.609 5.766 859 HB2 ALA 106 HB2 ALA 106 38.400 7.082 4.208 860 HB3 ALA 106 HB3 ALA 106 38.193 6.065 5.634 861 H GLU 107 H GLU 107 37.806 9.763 6.899 862 HA GLU 107 HA GLU 107 37.434 8.566 9.501 863 HB2 GLU 107 HB2 GLU 107 38.185 10.893 10.336 864 HB3 GLU 107 HB3 GLU 107 39.353 9.828 9.577 865 HG2 GLU 107 HG2 GLU 107 39.081 11.068 7.447 866 HG3 GLU 107 HG3 GLU 107 37.920 12.138 8.226 867 H ILE 108 H ILE 108 35.702 10.916 7.544 868 HA ILE 108 HA ILE 108 33.992 11.959 9.510 869 HB ILE 108 HB ILE 108 33.396 11.302 6.609 870 HG12 ILE 108 HG12 ILE 108 34.197 13.914 7.922 871 HG13 ILE 108 HG13 ILE 108 35.319 12.854 7.070 872 HG21 ILE 108 HG21 ILE 108 31.349 11.675 8.057 873 HG22 ILE 108 HG22 ILE 108 31.549 12.854 6.763 874 HG23 ILE 108 HG23 ILE 108 31.979 13.282 8.420 875 HD11 ILE 108 HD11 ILE 108 33.535 13.033 5.131 876 HD12 ILE 108 HD12 ILE 108 34.717 14.321 5.366 877 HD13 ILE 108 HD13 ILE 108 33.073 14.511 5.975 878 H LYS 109 H LYS 109 33.847 8.919 7.687 879 HA LYS 109 HA LYS 109 31.309 8.055 8.515 880 HB2 LYS 109 HB2 LYS 109 33.789 6.435 7.877 881 HB3 LYS 109 HB3 LYS 109 32.156 5.776 8.007 882 HG2 LYS 109 HG2 LYS 109 31.418 7.329 6.206 883 HG3 LYS 109 HG3 LYS 109 33.085 7.881 6.034 884 HD2 LYS 109 HD2 LYS 109 33.769 5.522 5.559 885 HD3 LYS 109 HD3 LYS 109 32.066 5.061 5.595 886 HE2 LYS 109 HE2 LYS 109 31.630 6.745 3.789 887 HE3 LYS 109 HE3 LYS 109 33.368 7.024 3.688 888 HZ1 LYS 109 HZ1 LYS 109 33.473 4.479 3.418 889 HZ2 LYS 109 HZ2 LYS 109 33.015 5.430 2.086 890 HZ3 LYS 109 HZ3 LYS 109 31.836 4.608 2.991 891 H ALA 110 H ALA 110 34.496 7.678 10.039 892 HA ALA 110 HA ALA 110 33.750 5.845 12.031 893 HB1 ALA 110 HB1 ALA 110 36.059 6.140 11.758 894 HB2 ALA 110 HB2 ALA 110 35.729 6.943 13.293 895 HB3 ALA 110 HB3 ALA 110 35.939 7.898 11.826 896 H LEU 111 H LEU 111 33.691 9.386 11.996 897 HA LEU 111 HA LEU 111 32.925 9.742 14.696 898 HB2 LEU 111 HB2 LEU 111 32.364 11.518 12.310 899 HB3 LEU 111 HB3 LEU 111 32.277 12.002 14.003 900 HG LEU 111 HG LEU 111 34.778 10.950 12.649 901 HD11 LEU 111 HD11 LEU 111 35.545 13.198 12.512 902 HD12 LEU 111 HD12 LEU 111 34.232 13.789 13.532 903 HD13 LEU 111 HD13 LEU 111 33.895 13.239 11.889 904 HD21 LEU 111 HD21 LEU 111 35.730 12.128 14.792 905 HD22 LEU 111 HD22 LEU 111 35.038 10.512 14.936 906 HD23 LEU 111 HD23 LEU 111 34.092 11.923 15.412 907 H LEU 112 H LEU 112 31.051 9.184 11.752 908 HA LEU 112 HA LEU 112 28.506 9.674 12.956 909 HB2 LEU 112 HB2 LEU 112 29.205 8.107 10.462 910 HB3 LEU 112 HB3 LEU 112 27.594 8.661 10.912 911 HG LEU 112 HG LEU 112 29.975 10.479 10.433 912 HD11 LEU 112 HD11 LEU 112 28.945 9.208 8.430 913 HD12 LEU 112 HD12 LEU 112 29.061 10.962 8.301 914 HD13 LEU 112 HD13 LEU 112 27.518 10.208 8.701 915 HD21 LEU 112 HD21 LEU 112 28.572 11.690 11.853 916 HD22 LEU 112 HD22 LEU 112 27.114 10.903 11.250 917 HD23 LEU 112 HD23 LEU 112 27.921 12.131 10.275 918 H ILE 113 H ILE 113 30.566 6.830 12.711 919 HA ILE 113 HA ILE 113 28.513 4.939 13.241 920 HB ILE 113 HB ILE 113 31.477 4.948 13.030 921 HG12 ILE 113 HG12 ILE 113 30.887 2.771 11.789 922 HG13 ILE 113 HG13 ILE 113 29.206 3.240 12.034 923 HG21 ILE 113 HG21 ILE 113 31.232 3.761 15.214 924 HG22 ILE 113 HG22 ILE 113 31.840 2.719 13.927 925 HG23 ILE 113 HG23 ILE 113 30.154 2.604 14.431 926 HD11 ILE 113 HD11 ILE 113 31.340 4.790 10.550 927 HD12 ILE 113 HD12 ILE 113 29.758 5.457 10.955 928 HD13 ILE 113 HD13 ILE 113 29.876 4.068 9.876 929 H ASN 114 H ASN 114 30.919 6.471 15.436 930 HA ASN 114 HA ASN 114 29.995 5.022 17.677 931 HB2 ASN 114 HB2 ASN 114 31.389 6.407 19.027 932 HB3 ASN 114 HB3 ASN 114 32.238 6.074 17.524 933 HD21 ASN 114 HD21 ASN 114 32.057 7.879 15.815 934 HD22 ASN 114 HD22 ASN 114 31.983 9.478 16.379 935 H ILE 115 H ILE 115 28.699 7.913 16.201 936 HA ILE 115 HA ILE 115 26.989 8.436 18.491 937 HB ILE 115 HB ILE 115 25.871 10.081 17.068 938 HG12 ILE 115 HG12 ILE 115 27.803 9.247 14.893 939 HG13 ILE 115 HG13 ILE 115 26.111 8.746 14.934 940 HG21 ILE 115 HG21 ILE 115 27.905 10.741 18.238 941 HG22 ILE 115 HG22 ILE 115 27.833 11.542 16.670 942 HG23 ILE 115 HG23 ILE 115 28.894 10.151 16.901 943 HD11 ILE 115 HD11 ILE 115 27.168 11.577 14.768 944 HD12 ILE 115 HD12 ILE 115 25.472 11.177 15.037 945 HD13 ILE 115 HD13 ILE 115 26.261 10.708 13.530 946 H TYR 116 H TYR 116 26.801 6.615 15.491 947 HA TYR 116 HA TYR 116 24.029 6.157 15.397 948 HB2 TYR 116 HB2 TYR 116 25.571 5.575 13.581 949 HB3 TYR 116 HB3 TYR 116 26.304 4.345 14.583 950 HD1 TYR 116 HD1 TYR 116 22.681 5.161 14.089 951 HD2 TYR 116 HD2 TYR 116 25.863 2.339 13.500 952 HE1 TYR 116 HE1 TYR 116 21.052 3.502 13.224 953 HE2 TYR 116 HE2 TYR 116 24.237 0.679 12.638 954 HH TYR 116 HH TYR 116 22.050 0.260 12.343 955 H LYS 117 H LYS 117 26.608 4.502 17.173 956 HA LYS 117 HA LYS 117 24.527 3.129 18.776 957 HB2 LYS 117 HB2 LYS 117 26.164 1.305 19.125 958 HB3 LYS 117 HB3 LYS 117 25.719 1.491 17.430 959 HG2 LYS 117 HG2 LYS 117 27.773 2.762 17.003 960 HG3 LYS 117 HG3 LYS 117 28.204 2.674 18.709 961 HD2 LYS 117 HD2 LYS 117 29.460 0.946 17.674 962 HD3 LYS 117 HD3 LYS 117 28.104 0.122 18.441 963 HE2 LYS 117 HE2 LYS 117 26.984 0.583 16.038 964 HE3 LYS 117 HE3 LYS 117 28.676 0.548 15.546 965 HZ1 LYS 117 HZ1 LYS 117 27.040 -1.614 16.061 966 HZ2 LYS 117 HZ2 LYS 117 28.133 -1.553 17.361 967 HZ3 LYS 117 HZ3 LYS 117 28.711 -1.638 15.766 Start of MODEL 2 1 H GLU 1 H GLU 1 -2.000 -5.168 10.930 2 HA GLU 1 HA GLU 1 -1.437 -7.280 10.110 3 HB2 GLU 1 HB2 GLU 1 0.082 -5.740 7.991 4 HB3 GLU 1 HB3 GLU 1 -0.158 -7.487 8.015 5 HG2 GLU 1 HG2 GLU 1 -2.626 -7.106 7.989 6 HG3 GLU 1 HG3 GLU 1 -2.325 -5.376 7.828 7 H ALA 2 H ALA 2 1.216 -4.906 9.892 8 HA ALA 2 HA ALA 2 3.004 -6.836 11.218 9 HB1 ALA 2 HB1 ALA 2 3.594 -5.548 9.035 10 HB2 ALA 2 HB2 ALA 2 4.807 -5.656 10.310 11 HB3 ALA 2 HB3 ALA 2 3.865 -4.178 10.111 12 H ALA 3 H ALA 3 4.050 -6.351 13.134 13 HA ALA 3 HA ALA 3 2.673 -4.749 14.999 14 HB1 ALA 3 HB1 ALA 3 3.987 -6.570 15.816 15 HB2 ALA 3 HB2 ALA 3 4.753 -5.096 16.408 16 HB3 ALA 3 HB3 ALA 3 5.443 -5.956 15.031 17 H ALA 4 H ALA 4 3.042 -2.720 15.812 18 HA ALA 4 HA ALA 4 4.231 -0.791 14.111 19 HB1 ALA 4 HB1 ALA 4 2.408 -0.215 15.636 20 HB2 ALA 4 HB2 ALA 4 3.824 0.779 15.980 21 HB3 ALA 4 HB3 ALA 4 3.430 -0.586 17.025 22 H ALA 5 H ALA 5 6.144 0.370 14.301 23 HA ALA 5 HA ALA 5 8.243 -0.984 15.855 24 HB1 ALA 5 HB1 ALA 5 8.944 -0.815 13.632 25 HB2 ALA 5 HB2 ALA 5 9.711 0.583 14.384 26 HB3 ALA 5 HB3 ALA 5 8.242 0.790 13.430 27 H ALA 6 H ALA 6 9.388 0.016 17.433 28 HA ALA 6 HA ALA 6 8.306 2.307 18.709 29 HB1 ALA 6 HB1 ALA 6 9.569 0.551 19.911 30 HB2 ALA 6 HB2 ALA 6 10.247 2.155 20.190 31 HB3 ALA 6 HB3 ALA 6 11.036 1.048 19.068 32 H ARG 7 H ARG 7 9.211 4.397 18.952 33 HA ARG 7 HA ARG 7 10.041 5.625 16.584 34 HB2 ARG 7 HB2 ARG 7 10.376 6.549 19.447 35 HB3 ARG 7 HB3 ARG 7 10.583 7.575 18.027 36 HG2 ARG 7 HG2 ARG 7 8.252 7.107 17.351 37 HG3 ARG 7 HG3 ARG 7 8.043 6.102 18.786 38 HD2 ARG 7 HD2 ARG 7 7.144 8.279 19.296 39 HD3 ARG 7 HD3 ARG 7 8.654 8.104 20.185 40 HE ARG 7 HE ARG 7 9.621 9.728 18.811 41 HH11 ARG 7 HH11 ARG 7 6.437 8.903 17.584 42 HH12 ARG 7 HH12 ARG 7 6.399 10.249 16.494 43 HH21 ARG 7 HH21 ARG 7 9.514 11.443 17.389 44 HH22 ARG 7 HH22 ARG 7 8.120 11.668 16.387 45 H ASP 8 H ASP 8 11.945 4.469 19.344 46 HA ASP 8 HA ASP 8 14.433 5.484 18.415 47 HB2 ASP 8 HB2 ASP 8 15.440 4.037 20.097 48 HB3 ASP 8 HB3 ASP 8 14.035 4.861 20.766 49 H GLU 9 H GLU 9 12.781 2.379 18.002 50 HA GLU 9 HA GLU 9 14.975 1.069 16.739 51 HB2 GLU 9 HB2 GLU 9 12.009 0.476 16.681 52 HB3 GLU 9 HB3 GLU 9 13.258 -0.594 16.042 53 HG2 GLU 9 HG2 GLU 9 14.321 -0.647 18.291 54 HG3 GLU 9 HG3 GLU 9 13.009 0.344 18.913 55 H SER 10 H SER 10 12.186 2.883 15.535 56 HA SER 10 HA SER 10 12.457 2.234 12.808 57 HB2 SER 10 HB2 SER 10 11.400 4.809 13.997 58 HB3 SER 10 HB3 SER 10 11.073 4.188 12.383 59 HG SER 10 HG SER 10 10.112 2.413 13.432 60 H ALA 11 H ALA 11 13.900 4.808 14.762 61 HA ALA 11 HA ALA 11 15.105 6.146 12.535 62 HB1 ALA 11 HB1 ALA 11 15.278 6.367 15.513 63 HB2 ALA 11 HB2 ALA 11 14.816 7.583 14.322 64 HB3 ALA 11 HB3 ALA 11 16.513 7.149 14.524 65 H TYR 12 H TYR 12 16.263 3.827 14.962 66 HA TYR 12 HA TYR 12 18.998 3.986 14.384 67 HB2 TYR 12 HB2 TYR 12 18.040 2.830 16.346 68 HB3 TYR 12 HB3 TYR 12 17.427 1.572 15.290 69 HD1 TYR 12 HD1 TYR 12 18.877 -0.148 14.417 70 HD2 TYR 12 HD2 TYR 12 20.472 3.106 16.723 71 HE1 TYR 12 HE1 TYR 12 21.034 -1.354 14.627 72 HE2 TYR 12 HE2 TYR 12 22.628 1.900 16.934 73 HH TYR 12 HH TYR 12 23.038 -1.330 15.660 74 H LEU 13 H LEU 13 16.525 1.794 13.042 75 HA LEU 13 HA LEU 13 18.270 0.334 11.373 76 HB2 LEU 13 HB2 LEU 13 15.324 0.915 10.984 77 HB3 LEU 13 HB3 LEU 13 16.239 -0.364 10.186 78 HG LEU 13 HG LEU 13 15.924 -0.111 13.190 79 HD11 LEU 13 HD11 LEU 13 13.799 -0.642 11.922 80 HD12 LEU 13 HD12 LEU 13 14.316 -1.905 13.039 81 HD13 LEU 13 HD13 LEU 13 14.604 -2.086 11.308 82 HD21 LEU 13 HD21 LEU 13 16.705 -2.560 12.984 83 HD22 LEU 13 HD22 LEU 13 17.923 -1.311 12.722 84 HD23 LEU 13 HD23 LEU 13 17.197 -2.138 11.343 85 H LYS 14 H LYS 14 16.500 3.347 10.859 86 HA LYS 14 HA LYS 14 16.805 3.567 8.084 87 HB2 LYS 14 HB2 LYS 14 15.347 5.015 9.490 88 HB3 LYS 14 HB3 LYS 14 16.788 5.813 10.115 89 HG2 LYS 14 HG2 LYS 14 16.024 7.205 8.345 90 HG3 LYS 14 HG3 LYS 14 17.385 6.315 7.666 91 HD2 LYS 14 HD2 LYS 14 15.860 4.720 6.611 92 HD3 LYS 14 HD3 LYS 14 14.475 5.521 7.354 93 HE2 LYS 14 HE2 LYS 14 15.418 7.660 6.167 94 HE3 LYS 14 HE3 LYS 14 16.258 6.497 5.142 95 HZ1 LYS 14 HZ1 LYS 14 13.819 7.326 4.621 96 HZ2 LYS 14 HZ2 LYS 14 13.423 6.033 5.649 97 HZ3 LYS 14 HZ3 LYS 14 14.334 5.754 4.243 98 H LEU 15 H LEU 15 18.974 4.490 10.730 99 HA LEU 15 HA LEU 15 20.782 6.012 9.202 100 HB2 LEU 15 HB2 LEU 15 21.319 4.380 11.695 101 HB3 LEU 15 HB3 LEU 15 22.359 5.652 11.056 102 HG LEU 15 HG LEU 15 19.478 6.058 11.910 103 HD11 LEU 15 HD11 LEU 15 22.115 6.476 13.314 104 HD12 LEU 15 HD12 LEU 15 20.661 5.682 13.919 105 HD13 LEU 15 HD13 LEU 15 20.697 7.436 13.738 106 HD21 LEU 15 HD21 LEU 15 21.660 7.864 10.867 107 HD22 LEU 15 HD22 LEU 15 20.350 8.503 11.858 108 HD23 LEU 15 HD23 LEU 15 19.990 7.727 10.316 109 H GLN 16 H GLN 16 20.854 2.542 10.061 110 HA GLN 16 HA GLN 16 23.362 1.977 8.942 111 HB2 GLN 16 HB2 GLN 16 20.927 0.311 9.500 112 HB3 GLN 16 HB3 GLN 16 22.301 -0.387 8.641 113 HG2 GLN 16 HG2 GLN 16 22.776 -0.851 10.902 114 HG3 GLN 16 HG3 GLN 16 23.739 0.585 10.560 115 HE21 GLN 16 HE21 GLN 16 23.444 2.311 11.980 116 HE22 GLN 16 HE22 GLN 16 22.111 2.496 13.014 117 H GLU 17 H GLU 17 20.142 2.003 7.466 118 HA GLU 17 HA GLU 17 20.915 1.006 4.938 119 HB2 GLU 17 HB2 GLU 17 18.562 1.197 5.758 120 HB3 GLU 17 HB3 GLU 17 18.668 2.943 5.524 121 HG2 GLU 17 HG2 GLU 17 19.235 2.560 3.133 122 HG3 GLU 17 HG3 GLU 17 19.033 0.832 3.381 123 H GLN 18 H GLN 18 20.992 4.248 6.320 124 HA GLN 18 HA GLN 18 21.440 5.613 3.853 125 HB2 GLN 18 HB2 GLN 18 20.513 6.654 5.932 126 HB3 GLN 18 HB3 GLN 18 22.122 6.541 6.646 127 HG2 GLN 18 HG2 GLN 18 21.992 8.737 5.742 128 HG3 GLN 18 HG3 GLN 18 22.964 7.820 4.592 129 HE21 GLN 18 HE21 GLN 18 22.315 8.086 2.457 130 HE22 GLN 18 HE22 GLN 18 20.744 8.491 1.960 131 H MET 19 H MET 19 23.605 4.284 6.340 132 HA MET 19 HA MET 19 25.852 5.826 5.827 133 HB2 MET 19 HB2 MET 19 25.674 2.945 6.727 134 HB3 MET 19 HB3 MET 19 27.162 3.884 6.741 135 HG2 MET 19 HG2 MET 19 24.626 4.604 8.238 136 HG3 MET 19 HG3 MET 19 26.057 3.877 8.958 137 HE1 MET 19 HE1 MET 19 28.686 6.167 9.167 138 HE2 MET 19 HE2 MET 19 28.601 5.994 7.416 139 HE3 MET 19 HE3 MET 19 28.234 4.616 8.450 140 H ARG 20 H ARG 20 24.878 2.810 4.198 141 HA ARG 20 HA ARG 20 27.242 2.501 2.701 142 HB2 ARG 20 HB2 ARG 20 25.966 0.995 1.286 143 HB3 ARG 20 HB3 ARG 20 25.532 0.730 2.972 144 HG2 ARG 20 HG2 ARG 20 23.568 2.279 2.610 145 HG3 ARG 20 HG3 ARG 20 23.950 2.254 0.889 146 HD2 ARG 20 HD2 ARG 20 23.765 -0.241 0.933 147 HD3 ARG 20 HD3 ARG 20 23.246 -0.136 2.614 148 HE ARG 20 HE ARG 20 21.681 1.492 0.809 149 HH11 ARG 20 HH11 ARG 20 21.988 -1.714 2.208 150 HH12 ARG 20 HH12 ARG 20 20.318 -2.094 1.952 151 HH21 ARG 20 HH21 ARG 20 19.541 0.948 0.508 152 HH22 ARG 20 HH22 ARG 20 18.950 -0.603 1.003 153 H LYS 21 H LYS 21 24.264 4.292 2.026 154 HA LYS 21 HA LYS 21 24.912 5.069 -0.612 155 HB2 LYS 21 HB2 LYS 21 22.643 5.245 0.426 156 HB3 LYS 21 HB3 LYS 21 23.234 6.608 1.379 157 HG2 LYS 21 HG2 LYS 21 23.836 7.789 -0.722 158 HG3 LYS 21 HG3 LYS 21 23.158 6.449 -1.648 159 HD2 LYS 21 HD2 LYS 21 20.971 6.830 -0.464 160 HD3 LYS 21 HD3 LYS 21 21.673 8.282 0.253 161 HE2 LYS 21 HE2 LYS 21 21.434 7.757 -2.724 162 HE3 LYS 21 HE3 LYS 21 20.364 8.803 -1.791 163 HZ1 LYS 21 HZ1 LYS 21 22.811 9.710 -1.115 164 HZ2 LYS 21 HZ2 LYS 21 21.820 10.391 -2.316 165 HZ3 LYS 21 HZ3 LYS 21 23.038 9.287 -2.742 166 H ILE 22 H ILE 22 25.622 6.540 2.539 167 HA ILE 22 HA ILE 22 26.612 9.001 1.610 168 HB ILE 22 HB ILE 22 27.638 7.471 4.008 169 HG12 ILE 22 HG12 ILE 22 25.230 7.539 4.210 170 HG13 ILE 22 HG13 ILE 22 25.909 8.737 5.299 171 HG21 ILE 22 HG21 ILE 22 28.730 9.676 3.083 172 HG22 ILE 22 HG22 ILE 22 28.449 9.488 4.810 173 HG23 ILE 22 HG23 ILE 22 27.343 10.453 3.839 174 HD11 ILE 22 HD11 ILE 22 24.078 9.826 4.248 175 HD12 ILE 22 HD12 ILE 22 24.512 9.196 2.659 176 HD13 ILE 22 HD13 ILE 22 25.506 10.442 3.415 177 H ASP 23 H ASP 23 28.293 5.928 2.251 178 HA ASP 23 HA ASP 23 30.885 6.792 1.589 179 HB2 ASP 23 HB2 ASP 23 30.275 4.632 2.725 180 HB3 ASP 23 HB3 ASP 23 29.762 4.018 1.156 181 H ALA 24 H ALA 24 28.284 5.459 -0.418 182 HA ALA 24 HA ALA 24 29.796 5.233 -2.804 183 HB1 ALA 24 HB1 ALA 24 26.824 5.550 -2.338 184 HB2 ALA 24 HB2 ALA 24 27.707 4.047 -2.600 185 HB3 ALA 24 HB3 ALA 24 27.543 5.213 -3.913 186 H ASP 25 H ASP 25 27.679 7.800 -1.545 187 HA ASP 25 HA ASP 25 27.913 9.537 -3.760 188 HB2 ASP 25 HB2 ASP 25 27.383 10.144 -0.844 189 HB3 ASP 25 HB3 ASP 25 27.193 11.302 -2.157 190 H ALA 26 H ALA 26 29.822 9.204 -0.795 191 HA ALA 26 HA ALA 26 31.477 11.467 -1.212 192 HB1 ALA 26 HB1 ALA 26 31.347 10.470 0.979 193 HB2 ALA 26 HB2 ALA 26 33.008 10.316 0.407 194 HB3 ALA 26 HB3 ALA 26 31.927 8.923 0.361 195 H ALA 27 H ALA 27 31.786 8.062 -2.140 196 HA ALA 27 HA ALA 27 34.414 8.255 -3.191 197 HB1 ALA 27 HB1 ALA 27 33.296 6.114 -2.603 198 HB2 ALA 27 HB2 ALA 27 33.946 6.114 -4.243 199 HB3 ALA 27 HB3 ALA 27 32.215 6.331 -3.980 200 H ALA 28 H ALA 28 31.213 8.766 -4.601 201 HA ALA 28 HA ALA 28 32.038 8.788 -7.313 202 HB1 ALA 28 HB1 ALA 28 29.697 10.385 -6.332 203 HB2 ALA 28 HB2 ALA 28 29.652 8.623 -6.265 204 HB3 ALA 28 HB3 ALA 28 29.861 9.441 -7.813 205 H LEU 29 H LEU 29 31.486 11.433 -4.983 206 HA LEU 29 HA LEU 29 32.163 13.459 -6.891 207 HB2 LEU 29 HB2 LEU 29 31.945 15.022 -5.069 208 HB3 LEU 29 HB3 LEU 29 30.630 13.857 -5.005 209 HG LEU 29 HG LEU 29 32.419 12.577 -3.415 210 HD11 LEU 29 HD11 LEU 29 33.335 14.415 -1.879 211 HD12 LEU 29 HD12 LEU 29 33.028 15.532 -3.208 212 HD13 LEU 29 HD13 LEU 29 34.164 14.201 -3.419 213 HD21 LEU 29 HD21 LEU 29 30.570 14.811 -2.522 214 HD22 LEU 29 HD22 LEU 29 31.202 13.532 -1.485 215 HD23 LEU 29 HD23 LEU 29 30.099 13.135 -2.802 216 H SER 30 H SER 30 33.989 11.626 -4.522 217 HA SER 30 HA SER 30 36.195 13.357 -4.254 218 HB2 SER 30 HB2 SER 30 37.382 11.443 -3.379 219 HB3 SER 30 HB3 SER 30 35.721 11.389 -2.798 220 HG SER 30 HG SER 30 35.390 9.716 -4.060 221 H GLU 31 H GLU 31 35.429 10.923 -6.701 222 HA GLU 31 HA GLU 31 38.008 10.823 -7.885 223 HB2 GLU 31 HB2 GLU 31 35.278 10.223 -9.046 224 HB3 GLU 31 HB3 GLU 31 36.809 9.841 -9.835 225 HG2 GLU 31 HG2 GLU 31 37.458 8.477 -7.860 226 HG3 GLU 31 HG3 GLU 31 35.889 8.808 -7.138 227 H THR 32 H THR 32 35.143 12.808 -8.511 228 HA THR 32 HA THR 32 36.493 14.188 -10.700 229 HB THR 32 HB THR 32 34.352 15.354 -10.994 230 HG1 THR 32 HG1 THR 32 32.772 15.015 -9.581 231 HG21 THR 32 HG21 THR 32 34.687 13.180 -12.073 232 HG22 THR 32 HG22 THR 32 33.008 13.349 -11.560 233 HG23 THR 32 HG23 THR 32 34.121 12.355 -10.620 234 H ARG 33 H ARG 33 36.062 14.662 -7.310 235 HA ARG 33 HA ARG 33 36.552 16.412 -5.909 236 HB2 ARG 33 HB2 ARG 33 38.225 17.234 -8.294 237 HB3 ARG 33 HB3 ARG 33 38.345 17.955 -6.690 238 HG2 ARG 33 HG2 ARG 33 38.839 15.695 -5.753 239 HG3 ARG 33 HG3 ARG 33 38.843 15.049 -7.394 240 HD2 ARG 33 HD2 ARG 33 40.685 17.202 -6.318 241 HD3 ARG 33 HD3 ARG 33 41.134 15.539 -6.684 242 HE ARG 33 HE ARG 33 39.989 16.786 -8.972 243 HH11 ARG 33 HH11 ARG 33 42.958 16.741 -7.101 244 HH12 ARG 33 HH12 ARG 33 43.933 17.218 -8.451 245 HH21 ARG 33 HH21 ARG 33 41.293 17.404 -10.671 246 HH22 ARG 33 HH22 ARG 33 43.000 17.589 -10.446 247 H THR 34 H THR 34 34.135 16.628 -7.356 248 HA THR 34 HA THR 34 33.988 19.404 -8.265 249 HB THR 34 HB THR 34 32.842 17.765 -9.643 250 HG1 THR 34 HG1 THR 34 31.844 19.731 -9.451 251 HG21 THR 34 HG21 THR 34 31.224 17.147 -7.154 252 HG22 THR 34 HG22 THR 34 32.375 16.061 -7.931 253 HG23 THR 34 HG23 THR 34 30.895 16.523 -8.766 254 H ILE 35 H ILE 35 33.222 21.029 -7.098 255 HA ILE 35 HA ILE 35 32.509 20.596 -4.345 256 HB ILE 35 HB ILE 35 33.865 22.521 -5.069 257 HG12 ILE 35 HG12 ILE 35 31.245 23.514 -3.943 258 HG13 ILE 35 HG13 ILE 35 32.335 22.494 -3.003 259 HG21 ILE 35 HG21 ILE 35 33.073 24.226 -6.441 260 HG22 ILE 35 HG22 ILE 35 31.383 23.836 -6.122 261 HG23 ILE 35 HG23 ILE 35 32.338 22.808 -7.190 262 HD11 ILE 35 HD11 ILE 35 33.373 24.965 -4.373 263 HD12 ILE 35 HD12 ILE 35 34.035 24.110 -2.979 264 HD13 ILE 35 HD13 ILE 35 32.575 25.083 -2.805 265 H GLU 36 H GLU 36 30.725 21.175 -7.310 266 HA GLU 36 HA GLU 36 28.372 22.262 -6.253 267 HB2 GLU 36 HB2 GLU 36 28.730 20.426 -8.634 268 HB3 GLU 36 HB3 GLU 36 27.272 21.355 -8.286 269 HG2 GLU 36 HG2 GLU 36 28.619 23.444 -8.350 270 HG3 GLU 36 HG3 GLU 36 30.034 22.496 -8.785 271 H GLU 37 H GLU 37 29.362 18.877 -6.641 272 HA GLU 37 HA GLU 37 26.938 17.764 -5.632 273 HB2 GLU 37 HB2 GLU 37 29.734 16.615 -5.772 274 HB3 GLU 37 HB3 GLU 37 28.283 15.692 -5.380 275 HG2 GLU 37 HG2 GLU 37 27.295 16.368 -7.560 276 HG3 GLU 37 HG3 GLU 37 28.791 17.202 -7.958 277 H LEU 38 H LEU 38 29.954 18.824 -4.134 278 HA LEU 38 HA LEU 38 29.681 17.647 -1.618 279 HB2 LEU 38 HB2 LEU 38 31.697 18.861 -2.447 280 HB3 LEU 38 HB3 LEU 38 30.834 20.381 -2.211 281 HG LEU 38 HG LEU 38 30.476 19.667 0.206 282 HD11 LEU 38 HD11 LEU 38 32.274 17.985 0.958 283 HD12 LEU 38 HD12 LEU 38 32.386 17.526 -0.742 284 HD13 LEU 38 HD13 LEU 38 30.866 17.324 0.127 285 HD21 LEU 38 HD21 LEU 38 32.751 20.333 0.875 286 HD22 LEU 38 HD22 LEU 38 32.198 21.313 -0.482 287 HD23 LEU 38 HD23 LEU 38 33.338 19.995 -0.754 288 H ASP 39 H ASP 39 28.285 20.650 -2.892 289 HA ASP 39 HA ASP 39 27.226 21.665 -0.501 290 HB2 ASP 39 HB2 ASP 39 26.155 21.852 -3.325 291 HB3 ASP 39 HB3 ASP 39 25.582 22.824 -1.972 292 H THR 40 H THR 40 25.855 19.384 -2.850 293 HA THR 40 HA THR 40 23.395 18.967 -1.501 294 HB THR 40 HB THR 40 24.880 17.028 -3.289 295 HG1 THR 40 HG1 THR 40 23.026 18.990 -3.961 296 HG21 THR 40 HG21 THR 40 23.079 15.855 -2.352 297 HG22 THR 40 HG22 THR 40 22.382 16.506 -3.835 298 HG23 THR 40 HG23 THR 40 22.055 17.289 -2.289 299 H PHE 41 H PHE 41 26.557 17.386 -1.297 300 HA PHE 41 HA PHE 41 25.871 15.201 0.300 301 HB2 PHE 41 HB2 PHE 41 28.048 15.418 -0.751 302 HB3 PHE 41 HB3 PHE 41 28.414 16.826 0.226 303 HD1 PHE 41 HD1 PHE 41 26.943 13.499 1.142 304 HD2 PHE 41 HD2 PHE 41 30.198 16.260 1.612 305 HE1 PHE 41 HE1 PHE 41 27.941 12.031 2.874 306 HE2 PHE 41 HE2 PHE 41 31.196 14.791 3.341 307 HZ PHE 41 HZ PHE 41 30.065 12.680 3.978 308 H LYS 42 H LYS 42 26.859 18.489 1.272 309 HA LYS 42 HA LYS 42 26.853 18.069 4.043 310 HB2 LYS 42 HB2 LYS 42 26.199 20.566 2.464 311 HB3 LYS 42 HB3 LYS 42 26.477 20.530 4.206 312 HG2 LYS 42 HG2 LYS 42 28.729 19.541 3.790 313 HG3 LYS 42 HG3 LYS 42 28.453 19.716 2.056 314 HD2 LYS 42 HD2 LYS 42 28.125 22.167 2.394 315 HD3 LYS 42 HD3 LYS 42 28.535 21.957 4.097 316 HE2 LYS 42 HE2 LYS 42 30.697 20.822 3.213 317 HE3 LYS 42 HE3 LYS 42 30.302 21.604 1.682 318 HZ1 LYS 42 HZ1 LYS 42 31.675 23.097 2.833 319 HZ2 LYS 42 HZ2 LYS 42 30.841 22.880 4.298 320 HZ3 LYS 42 HZ3 LYS 42 30.106 23.716 3.014 321 H LEU 43 H LEU 43 24.216 18.963 1.843 322 HA LEU 43 HA LEU 43 22.219 19.299 3.820 323 HB2 LEU 43 HB2 LEU 43 21.933 18.384 0.946 324 HB3 LEU 43 HB3 LEU 43 20.631 18.994 1.968 325 HG LEU 43 HG LEU 43 23.125 20.567 1.262 326 HD11 LEU 43 HD11 LEU 43 21.502 20.037 -0.652 327 HD12 LEU 43 HD12 LEU 43 21.817 21.745 -0.348 328 HD13 LEU 43 HD13 LEU 43 20.319 21.010 0.223 329 HD21 LEU 43 HD21 LEU 43 22.299 21.469 3.266 330 HD22 LEU 43 HD22 LEU 43 20.624 21.109 2.849 331 HD23 LEU 43 HD23 LEU 43 21.466 22.437 2.050 332 H ASP 44 H ASP 44 23.288 16.469 1.962 333 HA ASP 44 HA ASP 44 21.354 14.661 2.972 334 HB2 ASP 44 HB2 ASP 44 24.144 14.160 1.911 335 HB3 ASP 44 HB3 ASP 44 22.943 12.907 2.210 336 H VAL 45 H VAL 45 24.637 15.497 4.027 337 HA VAL 45 HA VAL 45 24.734 13.670 6.198 338 HB VAL 45 HB VAL 45 26.218 16.280 5.778 339 HG11 VAL 45 HG11 VAL 45 26.391 15.669 8.107 340 HG12 VAL 45 HG12 VAL 45 27.897 15.185 7.327 341 HG13 VAL 45 HG13 VAL 45 26.668 13.976 7.696 342 HG21 VAL 45 HG21 VAL 45 27.286 13.493 5.361 343 HG22 VAL 45 HG22 VAL 45 27.897 15.015 4.717 344 HG23 VAL 45 HG23 VAL 45 26.412 14.319 4.072 345 H ALA 46 H ALA 46 23.646 17.036 5.908 346 HA ALA 46 HA ALA 46 23.279 17.593 8.630 347 HB1 ALA 46 HB1 ALA 46 22.057 19.456 7.945 348 HB2 ALA 46 HB2 ALA 46 21.366 18.618 6.556 349 HB3 ALA 46 HB3 ALA 46 23.054 19.129 6.528 350 H ASP 47 H ASP 47 21.062 16.121 6.265 351 HA ASP 47 HA ASP 47 18.887 15.719 8.013 352 HB2 ASP 47 HB2 ASP 47 18.872 15.413 5.508 353 HB3 ASP 47 HB3 ASP 47 19.722 13.889 5.755 354 H PHE 48 H PHE 48 21.736 13.733 7.296 355 HA PHE 48 HA PHE 48 21.030 11.495 8.863 356 HB2 PHE 48 HB2 PHE 48 22.848 11.551 7.164 357 HB3 PHE 48 HB3 PHE 48 23.794 12.548 8.253 358 HD1 PHE 48 HD1 PHE 48 24.768 11.604 10.297 359 HD2 PHE 48 HD2 PHE 48 22.514 9.181 7.562 360 HE1 PHE 48 HE1 PHE 48 25.656 9.558 11.379 361 HE2 PHE 48 HE2 PHE 48 23.403 7.133 8.642 362 HZ PHE 48 HZ PHE 48 24.974 7.322 10.552 363 H VAL 49 H VAL 49 22.954 14.392 9.626 364 HA VAL 49 HA VAL 49 23.634 13.628 12.261 365 HB VAL 49 HB VAL 49 23.356 16.403 11.069 366 HG11 VAL 49 HG11 VAL 49 24.792 15.431 13.561 367 HG12 VAL 49 HG12 VAL 49 23.389 16.499 13.516 368 HG13 VAL 49 HG13 VAL 49 24.939 17.052 12.881 369 HG21 VAL 49 HG21 VAL 49 25.924 14.904 11.531 370 HG22 VAL 49 HG22 VAL 49 25.604 16.236 10.422 371 HG23 VAL 49 HG23 VAL 49 24.994 14.623 10.060 372 H THR 50 H THR 50 20.931 15.548 10.966 373 HA THR 50 HA THR 50 19.777 16.222 13.447 374 HB THR 50 HB THR 50 17.693 16.576 12.135 375 HG1 THR 50 HG1 THR 50 19.199 15.660 9.988 376 HG21 THR 50 HG21 THR 50 19.033 18.470 12.079 377 HG22 THR 50 HG22 THR 50 18.911 18.101 10.359 378 HG23 THR 50 HG23 THR 50 20.355 17.640 11.260 379 H THR 51 H THR 51 19.414 13.366 11.391 380 HA THR 51 HA THR 51 17.189 12.252 12.740 381 HB THR 51 HB THR 51 19.374 10.783 11.250 382 HG1 THR 51 HG1 THR 51 18.281 11.323 9.498 383 HG21 THR 51 HG21 THR 51 16.502 10.127 11.949 384 HG22 THR 51 HG22 THR 51 17.950 9.260 12.462 385 HG23 THR 51 HG23 THR 51 17.450 9.220 10.771 386 H VAL 52 H VAL 52 20.699 11.698 13.129 387 HA VAL 52 HA VAL 52 20.329 9.751 15.185 388 HB VAL 52 HB VAL 52 22.336 9.795 13.760 389 HG11 VAL 52 HG11 VAL 52 22.997 12.312 15.316 390 HG12 VAL 52 HG12 VAL 52 22.651 12.215 13.590 391 HG13 VAL 52 HG13 VAL 52 24.105 11.463 14.241 392 HG21 VAL 52 HG21 VAL 52 23.735 8.993 15.431 393 HG22 VAL 52 HG22 VAL 52 22.189 8.966 16.273 394 HG23 VAL 52 HG23 VAL 52 23.319 10.291 16.550 395 H VAL 53 H VAL 53 20.910 13.244 15.208 396 HA VAL 53 HA VAL 53 21.309 13.529 17.987 397 HB VAL 53 HB VAL 53 20.041 15.428 15.993 398 HG11 VAL 53 HG11 VAL 53 19.397 16.242 18.135 399 HG12 VAL 53 HG12 VAL 53 20.843 17.159 17.717 400 HG13 VAL 53 HG13 VAL 53 20.951 15.813 18.851 401 HG21 VAL 53 HG21 VAL 53 22.809 15.713 17.118 402 HG22 VAL 53 HG22 VAL 53 22.175 16.221 15.555 403 HG23 VAL 53 HG23 VAL 53 22.542 14.524 15.847 404 H GLN 54 H GLN 54 18.339 13.480 16.023 405 HA GLN 54 HA GLN 54 16.511 13.772 18.155 406 HB2 GLN 54 HB2 GLN 54 16.399 12.774 15.351 407 HB3 GLN 54 HB3 GLN 54 15.087 12.279 16.414 408 HG2 GLN 54 HG2 GLN 54 14.377 14.310 15.378 409 HG3 GLN 54 HG3 GLN 54 14.815 14.730 17.030 410 HE21 GLN 54 HE21 GLN 54 15.184 15.770 13.882 411 HE22 GLN 54 HE22 GLN 54 16.625 16.651 14.054 412 H LEU 55 H LEU 55 18.116 10.917 16.784 413 HA LEU 55 HA LEU 55 16.731 8.938 18.212 414 HB2 LEU 55 HB2 LEU 55 18.337 8.482 16.368 415 HB3 LEU 55 HB3 LEU 55 19.660 8.918 17.447 416 HG LEU 55 HG LEU 55 18.819 7.132 19.040 417 HD11 LEU 55 HD11 LEU 55 17.464 5.337 17.684 418 HD12 LEU 55 HD12 LEU 55 16.983 6.717 16.697 419 HD13 LEU 55 HD13 LEU 55 16.608 6.691 18.420 420 HD21 LEU 55 HD21 LEU 55 20.079 5.471 17.974 421 HD22 LEU 55 HD22 LEU 55 20.656 6.932 17.173 422 HD23 LEU 55 HD23 LEU 55 19.470 5.899 16.375 423 H ALA 56 H ALA 56 19.501 10.954 19.140 424 HA ALA 56 HA ALA 56 20.143 9.720 21.570 425 HB1 ALA 56 HB1 ALA 56 21.143 11.852 22.200 426 HB2 ALA 56 HB2 ALA 56 20.235 12.679 20.934 427 HB3 ALA 56 HB3 ALA 56 21.486 11.513 20.504 428 H GLU 57 H GLU 57 17.728 12.221 20.827 429 HA GLU 57 HA GLU 57 16.761 12.569 23.463 430 HB2 GLU 57 HB2 GLU 57 16.267 14.090 21.544 431 HB3 GLU 57 HB3 GLU 57 15.210 12.845 20.879 432 HG2 GLU 57 HG2 GLU 57 13.885 12.883 22.984 433 HG3 GLU 57 HG3 GLU 57 14.904 14.185 23.580 434 H GLU 58 H GLU 58 15.912 10.285 20.890 435 HA GLU 58 HA GLU 58 13.615 9.192 22.119 436 HB2 GLU 58 HB2 GLU 58 15.580 7.962 20.172 437 HB3 GLU 58 HB3 GLU 58 14.040 7.236 20.622 438 HG2 GLU 58 HG2 GLU 58 14.430 9.916 19.260 439 HG3 GLU 58 HG3 GLU 58 13.801 8.452 18.516 440 H LEU 59 H LEU 59 17.048 8.315 22.300 441 HA LEU 59 HA LEU 59 16.721 6.014 23.918 442 HB2 LEU 59 HB2 LEU 59 19.068 7.917 23.714 443 HB3 LEU 59 HB3 LEU 59 19.114 6.320 24.459 444 HG LEU 59 HG LEU 59 18.341 6.827 21.572 445 HD11 LEU 59 HD11 LEU 59 20.530 6.246 20.936 446 HD12 LEU 59 HD12 LEU 59 20.897 5.539 22.510 447 HD13 LEU 59 HD13 LEU 59 20.792 7.291 22.333 448 HD21 LEU 59 HD21 LEU 59 18.826 4.342 23.232 449 HD22 LEU 59 HD22 LEU 59 18.824 4.321 21.468 450 HD23 LEU 59 HD23 LEU 59 17.365 4.781 22.345 451 H GLU 60 H GLU 60 17.084 9.450 24.693 452 HA GLU 60 HA GLU 60 17.478 9.195 27.467 453 HB2 GLU 60 HB2 GLU 60 17.794 11.295 26.166 454 HB3 GLU 60 HB3 GLU 60 16.042 11.423 26.005 455 HG2 GLU 60 HG2 GLU 60 15.857 11.416 28.497 456 HG3 GLU 60 HG3 GLU 60 17.617 11.429 28.596 457 H HIS 61 H HIS 61 14.509 9.426 25.536 458 HA HIS 61 HA HIS 61 12.716 9.520 27.731 459 HB2 HIS 61 HB2 HIS 61 12.324 8.583 24.889 460 HB3 HIS 61 HB3 HIS 61 11.024 8.780 26.048 461 HD1 HIS 61 HD1 HIS 61 11.207 11.413 27.199 462 HD2 HIS 61 HD2 HIS 61 12.499 10.792 23.284 463 HE1 HIS 61 HE1 HIS 61 11.195 13.680 26.073 464 H ARG 62 H ARG 62 13.884 6.832 25.720 465 HA ARG 62 HA ARG 62 12.304 4.810 26.862 466 HB2 ARG 62 HB2 ARG 62 13.640 4.650 24.738 467 HB3 ARG 62 HB3 ARG 62 15.088 4.484 25.730 468 HG2 ARG 62 HG2 ARG 62 14.532 2.255 25.385 469 HG3 ARG 62 HG3 ARG 62 13.720 2.577 26.911 470 HD2 ARG 62 HD2 ARG 62 11.779 1.946 25.976 471 HD3 ARG 62 HD3 ARG 62 11.869 3.304 24.865 472 HE ARG 62 HE ARG 62 13.491 1.440 23.717 473 HH11 ARG 62 HH11 ARG 62 10.176 1.313 24.864 474 HH12 ARG 62 HH12 ARG 62 9.712 0.121 23.697 475 HH21 ARG 62 HH21 ARG 62 12.835 -0.095 22.236 476 HH22 ARG 62 HH22 ARG 62 11.200 -0.665 22.227 477 H PHE 63 H PHE 63 15.540 5.993 27.731 478 HA PHE 63 HA PHE 63 15.588 4.133 30.017 479 HB2 PHE 63 HB2 PHE 63 17.806 5.811 28.858 480 HB3 PHE 63 HB3 PHE 63 17.967 4.619 30.134 481 HD1 PHE 63 HD1 PHE 63 18.292 5.204 26.678 482 HD2 PHE 63 HD2 PHE 63 17.090 2.186 29.488 483 HE1 PHE 63 HE1 PHE 63 18.684 3.454 24.965 484 HE2 PHE 63 HE2 PHE 63 17.482 0.436 27.775 485 HZ PHE 63 HZ PHE 63 18.278 1.070 25.514 486 H GLY 64 H GLY 64 14.352 7.098 29.694 487 HA2 GLY 64 HA2 GLY 64 13.946 8.798 31.220 488 HA3 GLY 64 HA3 GLY 64 14.927 7.922 32.397 489 H ARG 65 H ARG 65 17.342 7.764 31.565 490 HA ARG 65 HA ARG 65 18.186 10.360 30.417 491 HB2 ARG 65 HB2 ARG 65 19.617 8.739 32.542 492 HB3 ARG 65 HB3 ARG 65 20.211 10.227 31.811 493 HG2 ARG 65 HG2 ARG 65 17.610 10.009 33.352 494 HG3 ARG 65 HG3 ARG 65 19.128 10.578 34.044 495 HD2 ARG 65 HD2 ARG 65 19.196 12.354 32.266 496 HD3 ARG 65 HD3 ARG 65 17.590 11.841 31.760 497 HE ARG 65 HE ARG 65 17.591 12.373 34.543 498 HH11 ARG 65 HH11 ARG 65 17.726 14.082 31.478 499 HH12 ARG 65 HH12 ARG 65 16.981 15.505 32.125 500 HH21 ARG 65 HH21 ARG 65 16.634 14.234 35.318 501 HH22 ARG 65 HH22 ARG 65 16.371 15.589 34.270 502 H ASN 66 H ASN 66 19.788 10.278 28.873 503 HA ASN 66 HA ASN 66 20.088 7.737 27.540 504 HB2 ASN 66 HB2 ASN 66 19.851 10.021 26.415 505 HB3 ASN 66 HB3 ASN 66 21.536 10.294 26.852 506 HD21 ASN 66 HD21 ASN 66 21.976 10.313 24.456 507 HD22 ASN 66 HD22 ASN 66 22.115 8.835 23.633 508 H ARG 67 H ARG 67 21.722 6.335 27.723 509 HA ARG 67 HA ARG 67 23.625 6.464 29.734 510 HB2 ARG 67 HB2 ARG 67 24.714 4.576 28.634 511 HB3 ARG 67 HB3 ARG 67 22.962 4.385 28.625 512 HG2 ARG 67 HG2 ARG 67 22.967 5.387 26.297 513 HG3 ARG 67 HG3 ARG 67 24.727 5.257 26.327 514 HD2 ARG 67 HD2 ARG 67 24.510 2.820 26.793 515 HD3 ARG 67 HD3 ARG 67 22.762 2.973 26.658 516 HE ARG 67 HE ARG 67 24.252 3.916 24.351 517 HH11 ARG 67 HH11 ARG 67 22.629 1.165 25.809 518 HH12 ARG 67 HH12 ARG 67 22.374 0.382 24.286 519 HH21 ARG 67 HH21 ARG 67 23.894 2.855 22.418 520 HH22 ARG 67 HH22 ARG 67 23.082 1.325 22.394 521 H ARG 68 H ARG 68 23.894 7.630 26.404 522 HA ARG 68 HA ARG 68 26.448 8.914 27.194 523 HB2 ARG 68 HB2 ARG 68 26.639 9.459 24.730 524 HB3 ARG 68 HB3 ARG 68 26.849 7.772 25.167 525 HG2 ARG 68 HG2 ARG 68 24.036 8.320 24.607 526 HG3 ARG 68 HG3 ARG 68 25.037 8.882 23.280 527 HD2 ARG 68 HD2 ARG 68 25.193 6.103 24.463 528 HD3 ARG 68 HD3 ARG 68 24.293 6.514 23.007 529 HE ARG 68 HE ARG 68 26.685 7.430 22.330 530 HH11 ARG 68 HH11 ARG 68 25.923 4.393 23.927 531 HH12 ARG 68 HH12 ARG 68 27.329 3.603 23.302 532 HH21 ARG 68 HH21 ARG 68 28.476 6.350 21.559 533 HH22 ARG 68 HH22 ARG 68 28.752 4.692 21.980 534 H GLY 69 H GLY 69 26.479 11.046 27.530 535 HA2 GLY 69 HA2 GLY 69 23.950 12.374 27.767 536 HA3 GLY 69 HA3 GLY 69 25.524 13.050 28.167 537 H ARG 70 H ARG 70 23.741 14.694 27.051 538 HA ARG 70 HA ARG 70 23.608 14.839 24.249 539 HB2 ARG 70 HB2 ARG 70 23.633 17.108 26.251 540 HB3 ARG 70 HB3 ARG 70 23.043 17.199 24.594 541 HG2 ARG 70 HG2 ARG 70 21.926 15.313 26.686 542 HG3 ARG 70 HG3 ARG 70 21.225 16.884 26.301 543 HD2 ARG 70 HD2 ARG 70 21.010 16.133 23.917 544 HD3 ARG 70 HD3 ARG 70 21.543 14.531 24.418 545 HE ARG 70 HE ARG 70 19.505 14.872 26.080 546 HH11 ARG 70 HH11 ARG 70 19.653 15.590 22.642 547 HH12 ARG 70 HH12 ARG 70 17.948 15.386 22.429 548 HH21 ARG 70 HH21 ARG 70 17.312 14.623 25.733 549 HH22 ARG 70 HH22 ARG 70 16.644 14.847 24.151 550 H THR 71 H THR 71 26.042 16.020 26.525 551 HA THR 71 HA THR 71 27.462 17.709 24.811 552 HB THR 71 HB THR 71 27.886 17.685 27.201 553 HG1 THR 71 HG1 THR 71 29.605 18.065 25.614 554 HG21 THR 71 HG21 THR 71 29.217 14.993 26.839 555 HG22 THR 71 HG22 THR 71 27.555 15.159 27.401 556 HG23 THR 71 HG23 THR 71 28.876 15.839 28.348 557 H GLU 72 H GLU 72 27.809 14.215 25.366 558 HA GLU 72 HA GLU 72 30.104 13.877 23.742 559 HB2 GLU 72 HB2 GLU 72 27.924 11.914 24.490 560 HB3 GLU 72 HB3 GLU 72 29.453 11.476 23.726 561 HG2 GLU 72 HG2 GLU 72 30.668 12.504 25.640 562 HG3 GLU 72 HG3 GLU 72 29.126 12.837 26.415 563 H ILE 73 H ILE 73 26.634 13.756 23.030 564 HA ILE 73 HA ILE 73 26.878 12.761 20.387 565 HB ILE 73 HB ILE 73 24.692 14.523 21.514 566 HG12 ILE 73 HG12 ILE 73 25.017 12.558 22.937 567 HG13 ILE 73 HG13 ILE 73 23.526 12.398 22.020 568 HG21 ILE 73 HG21 ILE 73 23.307 13.310 19.806 569 HG22 ILE 73 HG22 ILE 73 24.795 12.607 19.171 570 HG23 ILE 73 HG23 ILE 73 24.547 14.352 19.107 571 HD11 ILE 73 HD11 ILE 73 25.879 10.688 22.028 572 HD12 ILE 73 HD12 ILE 73 25.480 11.197 20.389 573 HD13 ILE 73 HD13 ILE 73 24.275 10.373 21.375 574 H TYR 74 H TYR 74 26.699 16.072 21.682 575 HA TYR 74 HA TYR 74 26.582 17.351 19.151 576 HB2 TYR 74 HB2 TYR 74 27.549 18.404 21.809 577 HB3 TYR 74 HB3 TYR 74 27.233 19.386 20.393 578 HD1 TYR 74 HD1 TYR 74 24.688 18.045 19.440 579 HD2 TYR 74 HD2 TYR 74 25.994 19.236 23.356 580 HE1 TYR 74 HE1 TYR 74 22.326 18.290 20.155 581 HE2 TYR 74 HE2 TYR 74 23.632 19.478 24.071 582 HH TYR 74 HH TYR 74 21.498 19.159 23.445 583 H LYS 75 H LYS 75 29.282 16.423 21.246 584 HA LYS 75 HA LYS 75 31.273 17.967 20.017 585 HB2 LYS 75 HB2 LYS 75 31.525 16.758 22.188 586 HB3 LYS 75 HB3 LYS 75 31.646 15.246 21.286 587 HG2 LYS 75 HG2 LYS 75 33.584 16.171 20.036 588 HG3 LYS 75 HG3 LYS 75 33.490 17.638 21.011 589 HD2 LYS 75 HD2 LYS 75 33.784 16.224 23.062 590 HD3 LYS 75 HD3 LYS 75 34.050 14.833 22.011 591 HE2 LYS 75 HE2 LYS 75 36.095 15.622 21.248 592 HE3 LYS 75 HE3 LYS 75 35.680 17.309 21.552 593 HZ1 LYS 75 HZ1 LYS 75 37.282 16.522 23.160 594 HZ2 LYS 75 HZ2 LYS 75 36.249 15.253 23.618 595 HZ3 LYS 75 HZ3 LYS 75 35.810 16.864 23.930 596 H ILE 76 H ILE 76 30.135 14.676 19.275 597 HA ILE 76 HA ILE 76 32.022 14.104 17.262 598 HB ILE 76 HB ILE 76 29.153 13.154 17.444 599 HG12 ILE 76 HG12 ILE 76 30.326 12.672 19.523 600 HG13 ILE 76 HG13 ILE 76 30.126 11.186 18.608 601 HG21 ILE 76 HG21 ILE 76 31.581 12.163 15.945 602 HG22 ILE 76 HG22 ILE 76 29.997 12.584 15.296 603 HG23 ILE 76 HG23 ILE 76 30.191 11.129 16.275 604 HD11 ILE 76 HD11 ILE 76 32.582 12.557 19.435 605 HD12 ILE 76 HD12 ILE 76 32.592 12.121 17.728 606 HD13 ILE 76 HD13 ILE 76 32.341 10.880 18.954 607 H VAL 77 H VAL 77 28.840 15.674 17.121 608 HA VAL 77 HA VAL 77 28.698 15.970 14.325 609 HB VAL 77 HB VAL 77 27.565 17.782 16.475 610 HG11 VAL 77 HG11 VAL 77 26.906 17.403 13.542 611 HG12 VAL 77 HG12 VAL 77 27.446 18.885 14.332 612 HG13 VAL 77 HG13 VAL 77 25.843 18.235 14.677 613 HG21 VAL 77 HG21 VAL 77 26.906 15.402 16.721 614 HG22 VAL 77 HG22 VAL 77 26.356 15.393 15.046 615 HG23 VAL 77 HG23 VAL 77 25.540 16.406 16.237 616 H LYS 78 H LYS 78 30.102 18.046 16.841 617 HA LYS 78 HA LYS 78 30.837 20.208 15.208 618 HB2 LYS 78 HB2 LYS 78 30.892 20.210 17.699 619 HB3 LYS 78 HB3 LYS 78 32.303 19.156 17.640 620 HG2 LYS 78 HG2 LYS 78 33.184 21.351 17.871 621 HG3 LYS 78 HG3 LYS 78 33.391 20.957 16.166 622 HD2 LYS 78 HD2 LYS 78 31.363 22.201 15.597 623 HD3 LYS 78 HD3 LYS 78 31.067 22.539 17.303 624 HE2 LYS 78 HE2 LYS 78 32.935 23.970 17.469 625 HE3 LYS 78 HE3 LYS 78 33.662 23.337 15.992 626 HZ1 LYS 78 HZ1 LYS 78 32.030 24.397 14.680 627 HZ2 LYS 78 HZ2 LYS 78 32.573 25.564 15.788 628 HZ3 LYS 78 HZ3 LYS 78 31.079 24.791 16.028 629 H GLU 79 H GLU 79 32.557 17.203 16.011 630 HA GLU 79 HA GLU 79 34.964 17.855 14.664 631 HB2 GLU 79 HB2 GLU 79 33.738 15.168 15.324 632 HB3 GLU 79 HB3 GLU 79 35.371 15.388 14.704 633 HG2 GLU 79 HG2 GLU 79 34.279 16.490 17.309 634 HG3 GLU 79 HG3 GLU 79 35.429 15.170 17.139 635 H VAL 80 H VAL 80 31.993 16.239 13.608 636 HA VAL 80 HA VAL 80 32.909 15.400 11.076 637 HB VAL 80 HB VAL 80 30.120 16.160 11.990 638 HG11 VAL 80 HG11 VAL 80 29.588 14.429 10.071 639 HG12 VAL 80 HG12 VAL 80 31.162 14.929 9.453 640 HG13 VAL 80 HG13 VAL 80 29.881 16.121 9.670 641 HG21 VAL 80 HG21 VAL 80 31.549 14.221 13.082 642 HG22 VAL 80 HG22 VAL 80 31.131 13.357 11.605 643 HG23 VAL 80 HG23 VAL 80 29.857 13.950 12.670 644 H ASP 81 H ASP 81 31.423 18.440 12.166 645 HA ASP 81 HA ASP 81 31.152 19.662 9.651 646 HB2 ASP 81 HB2 ASP 81 31.673 20.888 12.368 647 HB3 ASP 81 HB3 ASP 81 31.205 21.800 10.935 648 H ARG 82 H ARG 82 33.887 19.563 11.912 649 HA ARG 82 HA ARG 82 35.530 21.398 10.517 650 HB2 ARG 82 HB2 ARG 82 36.271 19.117 12.362 651 HB3 ARG 82 HB3 ARG 82 37.388 20.366 11.809 652 HG2 ARG 82 HG2 ARG 82 35.890 22.096 12.798 653 HG3 ARG 82 HG3 ARG 82 34.863 20.808 13.428 654 HD2 ARG 82 HD2 ARG 82 36.885 19.891 14.623 655 HD3 ARG 82 HD3 ARG 82 37.760 21.337 14.130 656 HE ARG 82 HE ARG 82 35.431 22.219 15.358 657 HH11 ARG 82 HH11 ARG 82 38.241 20.350 16.324 658 HH12 ARG 82 HH12 ARG 82 38.134 20.858 17.977 659 HH21 ARG 82 HH21 ARG 82 35.346 22.838 17.500 660 HH22 ARG 82 HH22 ARG 82 36.516 22.247 18.632 661 H LYS 83 H LYS 83 35.358 17.838 10.423 662 HA LYS 83 HA LYS 83 37.420 17.508 8.509 663 HB2 LYS 83 HB2 LYS 83 35.055 15.707 9.068 664 HB3 LYS 83 HB3 LYS 83 36.528 15.247 8.216 665 HG2 LYS 83 HG2 LYS 83 36.428 16.239 11.078 666 HG3 LYS 83 HG3 LYS 83 36.549 14.544 10.609 667 HD2 LYS 83 HD2 LYS 83 38.657 15.142 9.343 668 HD3 LYS 83 HD3 LYS 83 38.569 16.741 10.081 669 HE2 LYS 83 HE2 LYS 83 38.343 15.329 12.321 670 HE3 LYS 83 HE3 LYS 83 39.161 14.101 11.356 671 HZ1 LYS 83 HZ1 LYS 83 40.782 15.424 12.481 672 HZ2 LYS 83 HZ2 LYS 83 40.103 16.864 11.889 673 HZ3 LYS 83 HZ3 LYS 83 40.865 15.781 10.825 674 H LEU 84 H LEU 84 33.885 17.759 8.169 675 HA LEU 84 HA LEU 84 33.842 17.515 5.345 676 HB2 LEU 84 HB2 LEU 84 31.929 18.907 7.233 677 HB3 LEU 84 HB3 LEU 84 31.613 18.634 5.520 678 HG LEU 84 HG LEU 84 32.258 16.407 7.472 679 HD11 LEU 84 HD11 LEU 84 29.864 15.928 7.489 680 HD12 LEU 84 HD12 LEU 84 29.558 17.274 6.392 681 HD13 LEU 84 HD13 LEU 84 30.124 17.585 8.033 682 HD21 LEU 84 HD21 LEU 84 31.273 16.540 4.611 683 HD22 LEU 84 HD22 LEU 84 31.136 15.078 5.588 684 HD23 LEU 84 HD23 LEU 84 32.726 15.744 5.214 685 H LEU 85 H LEU 85 34.131 20.319 7.501 686 HA LEU 85 HA LEU 85 34.139 22.298 5.474 687 HB2 LEU 85 HB2 LEU 85 33.836 22.757 7.907 688 HB3 LEU 85 HB3 LEU 85 35.541 22.380 8.157 689 HG LEU 85 HG LEU 85 36.077 24.163 6.430 690 HD11 LEU 85 HD11 LEU 85 34.162 25.892 6.259 691 HD12 LEU 85 HD12 LEU 85 33.103 24.572 6.755 692 HD13 LEU 85 HD13 LEU 85 34.035 24.442 5.263 693 HD21 LEU 85 HD21 LEU 85 36.161 24.474 8.947 694 HD22 LEU 85 HD22 LEU 85 34.548 25.179 8.842 695 HD23 LEU 85 HD23 LEU 85 35.905 25.959 8.029 696 H ASP 86 H ASP 86 36.739 20.452 7.037 697 HA ASP 86 HA ASP 86 38.903 21.684 5.712 698 HB2 ASP 86 HB2 ASP 86 38.613 18.874 6.798 699 HB3 ASP 86 HB3 ASP 86 40.135 19.591 6.274 700 H LEU 87 H LEU 87 36.885 18.897 4.857 701 HA LEU 87 HA LEU 87 38.255 18.123 2.522 702 HB2 LEU 87 HB2 LEU 87 36.463 16.804 3.669 703 HB3 LEU 87 HB3 LEU 87 35.278 17.944 3.035 704 HG LEU 87 HG LEU 87 36.330 17.405 0.716 705 HD11 LEU 87 HD11 LEU 87 38.206 16.092 1.998 706 HD12 LEU 87 HD12 LEU 87 37.569 15.433 0.492 707 HD13 LEU 87 HD13 LEU 87 37.014 14.793 2.039 708 HD21 LEU 87 HD21 LEU 87 34.765 15.590 0.412 709 HD22 LEU 87 HD22 LEU 87 34.057 16.706 1.580 710 HD23 LEU 87 HD23 LEU 87 34.799 15.205 2.133 711 H THR 88 H THR 88 35.680 20.506 3.059 712 HA THR 88 HA THR 88 35.146 21.160 0.386 713 HB THR 88 HB THR 88 35.127 23.055 2.748 714 HG1 THR 88 HG1 THR 88 33.381 22.064 3.311 715 HG21 THR 88 HG21 THR 88 33.847 23.033 0.017 716 HG22 THR 88 HG22 THR 88 34.794 24.314 0.776 717 HG23 THR 88 HG23 THR 88 33.160 23.969 1.344 718 H ASP 89 H ASP 89 37.575 22.438 2.638 719 HA ASP 89 HA ASP 89 38.661 24.422 0.975 720 HB2 ASP 89 HB2 ASP 89 39.991 22.724 3.098 721 HB3 ASP 89 HB3 ASP 89 40.707 24.161 2.372 722 H ALA 90 H ALA 90 39.376 20.960 1.242 723 HA ALA 90 HA ALA 90 41.587 20.938 -0.533 724 HB1 ALA 90 HB1 ALA 90 41.232 19.068 0.944 725 HB2 ALA 90 HB2 ALA 90 41.072 18.485 -0.713 726 HB3 ALA 90 HB3 ALA 90 39.632 18.773 0.264 727 H VAL 91 H VAL 91 38.099 20.515 -1.025 728 HA VAL 91 HA VAL 91 38.228 19.780 -3.752 729 HB VAL 91 HB VAL 91 36.018 21.215 -2.253 730 HG11 VAL 91 HG11 VAL 91 34.558 20.260 -4.025 731 HG12 VAL 91 HG12 VAL 91 35.992 19.671 -4.865 732 HG13 VAL 91 HG13 VAL 91 35.728 21.405 -4.681 733 HG21 VAL 91 HG21 VAL 91 35.158 19.105 -1.695 734 HG22 VAL 91 HG22 VAL 91 36.891 18.873 -1.477 735 HG23 VAL 91 HG23 VAL 91 36.100 18.285 -2.938 736 H LEU 92 H LEU 92 37.894 22.946 -2.154 737 HA LEU 92 HA LEU 92 37.740 24.503 -4.507 738 HB2 LEU 92 HB2 LEU 92 38.864 25.214 -1.785 739 HB3 LEU 92 HB3 LEU 92 38.499 26.373 -3.062 740 HG LEU 92 HG LEU 92 36.458 24.485 -1.855 741 HD11 LEU 92 HD11 LEU 92 37.143 26.060 -0.148 742 HD12 LEU 92 HD12 LEU 92 35.589 26.597 -0.784 743 HD13 LEU 92 HD13 LEU 92 37.074 27.399 -1.293 744 HD21 LEU 92 HD21 LEU 92 36.366 26.752 -3.850 745 HD22 LEU 92 HD22 LEU 92 34.931 26.263 -2.949 746 HD23 LEU 92 HD23 LEU 92 35.730 25.116 -4.023 747 H ALA 93 H ALA 93 40.492 23.393 -2.572 748 HA ALA 93 HA ALA 93 42.452 24.717 -4.199 749 HB1 ALA 93 HB1 ALA 93 44.062 23.304 -2.894 750 HB2 ALA 93 HB2 ALA 93 42.675 22.571 -2.090 751 HB3 ALA 93 HB3 ALA 93 42.991 24.296 -1.905 752 H LYS 94 H LYS 94 40.703 21.780 -4.601 753 HA LYS 94 HA LYS 94 40.894 20.035 -6.069 754 HB2 LYS 94 HB2 LYS 94 42.866 21.827 -7.516 755 HB3 LYS 94 HB3 LYS 94 42.033 20.428 -8.183 756 HG2 LYS 94 HG2 LYS 94 40.636 22.896 -7.115 757 HG3 LYS 94 HG3 LYS 94 40.956 22.589 -8.821 758 HD2 LYS 94 HD2 LYS 94 39.681 20.425 -8.591 759 HD3 LYS 94 HD3 LYS 94 39.224 20.935 -6.965 760 HE2 LYS 94 HE2 LYS 94 38.744 22.757 -9.311 761 HE3 LYS 94 HE3 LYS 94 37.603 21.465 -8.941 762 HZ1 LYS 94 HZ1 LYS 94 37.203 23.721 -7.878 763 HZ2 LYS 94 HZ2 LYS 94 38.520 23.358 -6.867 764 HZ3 LYS 94 HZ3 LYS 94 37.141 22.365 -6.861 765 H GLU 95 H GLU 95 42.127 19.479 -3.871 766 HA GLU 95 HA GLU 95 44.898 19.262 -3.748 767 HB2 GLU 95 HB2 GLU 95 43.320 18.865 -1.856 768 HB3 GLU 95 HB3 GLU 95 42.904 17.310 -2.578 769 HG2 GLU 95 HG2 GLU 95 44.602 16.885 -0.931 770 HG3 GLU 95 HG3 GLU 95 45.358 16.719 -2.512 771 H LYS 96 H LYS 96 46.089 18.433 -5.344 772 HA LYS 96 HA LYS 96 45.362 16.372 -7.105 773 HB2 LYS 96 HB2 LYS 96 48.125 17.239 -6.228 774 HB3 LYS 96 HB3 LYS 96 47.760 16.263 -7.652 775 HG2 LYS 96 HG2 LYS 96 46.263 18.145 -8.442 776 HG3 LYS 96 HG3 LYS 96 46.911 19.121 -7.123 777 HD2 LYS 96 HD2 LYS 96 48.598 17.802 -9.269 778 HD3 LYS 96 HD3 LYS 96 48.112 19.497 -9.281 779 HE2 LYS 96 HE2 LYS 96 49.786 18.137 -7.149 780 HE3 LYS 96 HE3 LYS 96 50.368 19.290 -8.350 781 HZ1 LYS 96 HZ1 LYS 96 48.260 20.556 -7.177 782 HZ2 LYS 96 HZ2 LYS 96 49.903 20.841 -6.851 783 HZ3 LYS 96 HZ3 LYS 96 49.015 19.770 -5.876 784 H LYS 97 H LYS 97 46.950 16.269 -3.949 785 HA LYS 97 HA LYS 97 47.845 13.590 -4.060 786 HB2 LYS 97 HB2 LYS 97 47.053 15.300 -1.692 787 HB3 LYS 97 HB3 LYS 97 47.906 13.760 -1.578 788 HG2 LYS 97 HG2 LYS 97 49.720 14.700 -3.008 789 HG3 LYS 97 HG3 LYS 97 48.887 16.255 -2.993 790 HD2 LYS 97 HD2 LYS 97 49.022 16.257 -0.499 791 HD3 LYS 97 HD3 LYS 97 49.975 14.776 -0.582 792 HE2 LYS 97 HE2 LYS 97 51.811 15.846 -1.538 793 HE3 LYS 97 HE3 LYS 97 50.834 17.163 -2.188 794 HZ1 LYS 97 HZ1 LYS 97 50.598 18.108 -0.061 795 HZ2 LYS 97 HZ2 LYS 97 52.245 17.714 -0.204 796 HZ3 LYS 97 HZ3 LYS 97 51.211 16.732 0.718 797 H GLY 98 H GLY 98 46.445 12.023 -4.627 798 HA2 GLY 98 HA2 GLY 98 43.695 11.936 -4.074 799 HA3 GLY 98 HA3 GLY 98 44.690 10.547 -4.496 800 H GLU 99 H GLU 99 46.468 10.777 -2.217 801 HA GLU 99 HA GLU 99 45.088 9.107 -0.422 802 HB2 GLU 99 HB2 GLU 99 47.633 10.696 -0.031 803 HB3 GLU 99 HB3 GLU 99 47.063 9.426 1.052 804 HG2 GLU 99 HG2 GLU 99 47.085 7.829 -0.857 805 HG3 GLU 99 HG3 GLU 99 47.741 9.097 -1.883 806 H ASP 100 H ASP 100 45.663 12.600 -0.382 807 HA ASP 100 HA ASP 100 44.967 13.094 2.290 808 HB2 ASP 100 HB2 ASP 100 44.696 14.818 -0.174 809 HB3 ASP 100 HB3 ASP 100 44.366 15.400 1.452 810 H ILE 101 H ILE 101 42.939 12.996 -0.630 811 HA ILE 101 HA ILE 101 40.515 13.665 0.685 812 HB ILE 101 HB ILE 101 40.904 12.072 -1.864 813 HG12 ILE 101 HG12 ILE 101 40.435 15.045 -1.484 814 HG13 ILE 101 HG13 ILE 101 42.012 14.332 -1.824 815 HG21 ILE 101 HG21 ILE 101 38.634 12.819 -2.399 816 HG22 ILE 101 HG22 ILE 101 38.543 13.706 -0.878 817 HG23 ILE 101 HG23 ILE 101 38.619 11.944 -0.868 818 HD11 ILE 101 HD11 ILE 101 40.721 13.204 -3.837 819 HD12 ILE 101 HD12 ILE 101 41.307 14.861 -3.975 820 HD13 ILE 101 HD13 ILE 101 39.610 14.554 -3.607 821 H LEU 102 H LEU 102 42.150 10.593 0.073 822 HA LEU 102 HA LEU 102 39.990 8.879 0.609 823 HB2 LEU 102 HB2 LEU 102 42.136 8.207 -0.468 824 HB3 LEU 102 HB3 LEU 102 42.919 8.321 1.108 825 HG LEU 102 HG LEU 102 41.190 6.684 1.976 826 HD11 LEU 102 HD11 LEU 102 40.547 6.647 -0.974 827 HD12 LEU 102 HD12 LEU 102 39.438 6.826 0.386 828 HD13 LEU 102 HD13 LEU 102 40.192 5.265 0.063 829 HD21 LEU 102 HD21 LEU 102 42.747 5.500 -0.321 830 HD22 LEU 102 HD22 LEU 102 42.451 4.815 1.277 831 HD23 LEU 102 HD23 LEU 102 43.577 6.160 1.089 832 H ASN 103 H ASN 103 42.398 10.315 2.805 833 HA ASN 103 HA ASN 103 41.436 8.722 5.020 834 HB2 ASN 103 HB2 ASN 103 43.144 9.763 6.336 835 HB3 ASN 103 HB3 ASN 103 43.834 9.346 4.773 836 HD21 ASN 103 HD21 ASN 103 45.036 11.003 3.841 837 HD22 ASN 103 HD22 ASN 103 44.836 12.655 4.176 838 H MET 104 H MET 104 41.057 12.049 3.895 839 HA MET 104 HA MET 104 39.819 13.081 6.210 840 HB2 MET 104 HB2 MET 104 39.583 13.848 3.299 841 HB3 MET 104 HB3 MET 104 38.792 14.743 4.596 842 HG2 MET 104 HG2 MET 104 40.996 15.071 5.690 843 HG3 MET 104 HG3 MET 104 41.773 14.240 4.345 844 HE1 MET 104 HE1 MET 104 42.680 17.974 4.273 845 HE2 MET 104 HE2 MET 104 43.325 16.624 3.342 846 HE3 MET 104 HE3 MET 104 42.945 16.408 5.049 847 H VAL 105 H VAL 105 38.487 11.411 3.376 848 HA VAL 105 HA VAL 105 35.764 11.623 4.165 849 HB VAL 105 HB VAL 105 37.113 9.550 2.412 850 HG11 VAL 105 HG11 VAL 105 34.207 10.320 2.805 851 HG12 VAL 105 HG12 VAL 105 34.936 8.736 3.068 852 HG13 VAL 105 HG13 VAL 105 34.785 9.376 1.431 853 HG21 VAL 105 HG21 VAL 105 36.599 10.969 0.572 854 HG22 VAL 105 HG22 VAL 105 37.294 12.043 1.784 855 HG23 VAL 105 HG23 VAL 105 35.548 11.989 1.553 856 H ALA 106 H ALA 106 38.306 9.245 4.821 857 HA ALA 106 HA ALA 106 36.657 7.247 5.943 858 HB1 ALA 106 HB1 ALA 106 39.469 7.698 6.883 859 HB2 ALA 106 HB2 ALA 106 39.169 7.184 5.222 860 HB3 ALA 106 HB3 ALA 106 38.628 6.181 6.567 861 H GLU 107 H GLU 107 38.363 10.002 7.405 862 HA GLU 107 HA GLU 107 37.753 9.353 10.094 863 HB2 GLU 107 HB2 GLU 107 38.345 12.018 8.789 864 HB3 GLU 107 HB3 GLU 107 38.228 11.772 10.529 865 HG2 GLU 107 HG2 GLU 107 40.211 10.443 8.658 866 HG3 GLU 107 HG3 GLU 107 40.571 11.704 9.831 867 H ILE 108 H ILE 108 36.057 11.301 7.661 868 HA ILE 108 HA ILE 108 34.007 12.268 9.337 869 HB ILE 108 HB ILE 108 33.942 11.646 6.369 870 HG12 ILE 108 HG12 ILE 108 34.268 14.337 7.688 871 HG13 ILE 108 HG13 ILE 108 35.667 13.319 7.362 872 HG21 ILE 108 HG21 ILE 108 32.082 13.279 6.308 873 HG22 ILE 108 HG22 ILE 108 32.143 13.409 8.066 874 HG23 ILE 108 HG23 ILE 108 31.671 11.887 7.311 875 HD11 ILE 108 HD11 ILE 108 33.696 13.822 5.158 876 HD12 ILE 108 HD12 ILE 108 35.426 13.494 5.054 877 HD13 ILE 108 HD13 ILE 108 34.858 15.082 5.570 878 H LYS 109 H LYS 109 34.230 9.323 7.352 879 HA LYS 109 HA LYS 109 31.656 8.330 7.871 880 HB2 LYS 109 HB2 LYS 109 34.242 6.876 7.287 881 HB3 LYS 109 HB3 LYS 109 32.657 6.104 7.321 882 HG2 LYS 109 HG2 LYS 109 31.862 7.513 5.518 883 HG3 LYS 109 HG3 LYS 109 33.336 8.475 5.561 884 HD2 LYS 109 HD2 LYS 109 33.614 6.972 3.735 885 HD3 LYS 109 HD3 LYS 109 34.598 6.316 5.040 886 HE2 LYS 109 HE2 LYS 109 32.279 5.031 5.570 887 HE3 LYS 109 HE3 LYS 109 32.098 5.250 3.831 888 HZ1 LYS 109 HZ1 LYS 109 33.767 3.844 3.391 889 HZ2 LYS 109 HZ2 LYS 109 33.450 3.246 4.949 890 HZ3 LYS 109 HZ3 LYS 109 34.710 4.359 4.704 891 H ALA 110 H ALA 110 34.676 8.017 9.692 892 HA ALA 110 HA ALA 110 33.852 5.988 11.458 893 HB1 ALA 110 HB1 ALA 110 35.944 8.129 11.536 894 HB2 ALA 110 HB2 ALA 110 36.137 6.377 11.524 895 HB3 ALA 110 HB3 ALA 110 35.611 7.195 12.995 896 H LEU 111 H LEU 111 33.561 9.518 11.656 897 HA LEU 111 HA LEU 111 32.550 9.591 14.307 898 HB2 LEU 111 HB2 LEU 111 32.157 11.572 12.051 899 HB3 LEU 111 HB3 LEU 111 31.873 11.887 13.763 900 HG LEU 111 HG LEU 111 34.544 11.046 12.600 901 HD11 LEU 111 HD11 LEU 111 35.225 13.369 12.941 902 HD12 LEU 111 HD12 LEU 111 33.624 13.773 13.560 903 HD13 LEU 111 HD13 LEU 111 33.826 13.320 11.868 904 HD21 LEU 111 HD21 LEU 111 34.405 10.393 14.903 905 HD22 LEU 111 HD22 LEU 111 33.609 11.902 15.350 906 HD23 LEU 111 HD23 LEU 111 35.309 11.908 14.881 907 H LEU 112 H LEU 112 30.981 9.351 11.142 908 HA LEU 112 HA LEU 112 28.329 9.739 12.069 909 HB2 LEU 112 HB2 LEU 112 29.308 8.216 9.641 910 HB3 LEU 112 HB3 LEU 112 27.651 8.747 9.919 911 HG LEU 112 HG LEU 112 30.040 10.608 9.765 912 HD11 LEU 112 HD11 LEU 112 29.283 11.186 7.553 913 HD12 LEU 112 HD12 LEU 112 27.834 10.196 7.731 914 HD13 LEU 112 HD13 LEU 112 29.417 9.428 7.606 915 HD21 LEU 112 HD21 LEU 112 28.093 12.275 9.439 916 HD22 LEU 112 HD22 LEU 112 28.355 11.655 11.069 917 HD23 LEU 112 HD23 LEU 112 27.061 10.993 10.072 918 H ILE 113 H ILE 113 30.326 6.841 11.672 919 HA ILE 113 HA ILE 113 28.266 4.980 12.267 920 HB ILE 113 HB ILE 113 31.266 4.700 12.594 921 HG12 ILE 113 HG12 ILE 113 29.515 3.719 10.333 922 HG13 ILE 113 HG13 ILE 113 30.315 5.288 10.281 923 HG21 ILE 113 HG21 ILE 113 30.598 2.225 12.195 924 HG22 ILE 113 HG22 ILE 113 28.977 2.733 12.668 925 HG23 ILE 113 HG23 ILE 113 30.318 2.899 13.800 926 HD11 ILE 113 HD11 ILE 113 31.762 3.709 9.174 927 HD12 ILE 113 HD12 ILE 113 31.632 2.571 10.516 928 HD13 ILE 113 HD13 ILE 113 32.497 4.094 10.731 929 H ASN 114 H ASN 114 30.804 6.464 14.258 930 HA ASN 114 HA ASN 114 30.222 5.043 16.627 931 HB2 ASN 114 HB2 ASN 114 31.568 7.719 16.223 932 HB3 ASN 114 HB3 ASN 114 31.570 6.811 17.733 933 HD21 ASN 114 HD21 ASN 114 33.972 7.455 16.204 934 HD22 ASN 114 HD22 ASN 114 34.647 5.983 15.692 935 H ILE 115 H ILE 115 28.863 7.995 15.286 936 HA ILE 115 HA ILE 115 28.011 9.174 17.677 937 HB ILE 115 HB ILE 115 28.154 10.308 15.481 938 HG12 ILE 115 HG12 ILE 115 25.395 10.589 16.673 939 HG13 ILE 115 HG13 ILE 115 26.847 11.095 17.538 940 HG21 ILE 115 HG21 ILE 115 26.394 8.260 14.611 941 HG22 ILE 115 HG22 ILE 115 27.000 9.629 13.691 942 HG23 ILE 115 HG23 ILE 115 25.469 9.758 14.542 943 HD11 ILE 115 HD11 ILE 115 26.090 12.050 14.763 944 HD12 ILE 115 HD12 ILE 115 27.449 12.616 15.733 945 HD13 ILE 115 HD13 ILE 115 25.797 12.958 16.246 946 H TYR 116 H TYR 116 26.543 6.560 15.850 947 HA TYR 116 HA TYR 116 24.161 6.723 17.602 948 HB2 TYR 116 HB2 TYR 116 23.070 5.249 15.973 949 HB3 TYR 116 HB3 TYR 116 23.575 6.779 15.287 950 HD1 TYR 116 HD1 TYR 116 24.696 6.773 13.253 951 HD2 TYR 116 HD2 TYR 116 24.787 3.246 15.706 952 HE1 TYR 116 HE1 TYR 116 25.882 5.548 11.453 953 HE2 TYR 116 HE2 TYR 116 25.974 2.024 13.906 954 HH TYR 116 HH TYR 116 27.167 2.386 11.947 955 H LYS 117 H LYS 117 26.915 5.416 18.163 956 HA LYS 117 HA LYS 117 26.117 2.633 18.531 957 HB2 LYS 117 HB2 LYS 117 28.648 4.046 19.400 958 HB3 LYS 117 HB3 LYS 117 28.369 2.306 19.403 959 HG2 LYS 117 HG2 LYS 117 28.304 4.059 16.929 960 HG3 LYS 117 HG3 LYS 117 29.669 3.053 17.415 961 HD2 LYS 117 HD2 LYS 117 28.113 1.064 17.367 962 HD3 LYS 117 HD3 LYS 117 26.891 2.117 16.653 963 HE2 LYS 117 HE2 LYS 117 28.295 2.563 14.737 964 HE3 LYS 117 HE3 LYS 117 29.650 1.705 15.473 965 HZ1 LYS 117 HZ1 LYS 117 28.015 0.550 13.768 966 HZ2 LYS 117 HZ2 LYS 117 27.139 0.247 15.191 967 HZ3 LYS 117 HZ3 LYS 117 28.738 -0.306 15.042 Start of MODEL 3 1 H GLU 1 H GLU 1 1.901 3.262 5.781 2 HA GLU 1 HA GLU 1 1.784 5.643 5.176 3 HB2 GLU 1 HB2 GLU 1 -0.767 5.487 6.801 4 HB3 GLU 1 HB3 GLU 1 -0.075 6.971 6.141 5 HG2 GLU 1 HG2 GLU 1 -0.219 5.987 3.860 6 HG3 GLU 1 HG3 GLU 1 -0.994 4.564 4.544 7 H ALA 2 H ALA 2 0.590 4.607 8.381 8 HA ALA 2 HA ALA 2 2.678 6.269 9.635 9 HB1 ALA 2 HB1 ALA 2 0.283 4.928 10.911 10 HB2 ALA 2 HB2 ALA 2 0.313 6.601 10.351 11 HB3 ALA 2 HB3 ALA 2 1.368 6.092 11.670 12 H ALA 3 H ALA 3 4.195 5.409 11.004 13 HA ALA 3 HA ALA 3 4.942 2.693 10.624 14 HB1 ALA 3 HB1 ALA 3 6.727 3.157 12.192 15 HB2 ALA 3 HB2 ALA 3 5.890 4.594 12.780 16 HB3 ALA 3 HB3 ALA 3 6.531 4.557 11.137 17 H ALA 4 H ALA 4 4.815 0.937 11.995 18 HA ALA 4 HA ALA 4 2.799 1.148 14.140 19 HB1 ALA 4 HB1 ALA 4 2.280 -1.104 13.766 20 HB2 ALA 4 HB2 ALA 4 3.826 -1.429 12.981 21 HB3 ALA 4 HB3 ALA 4 2.592 -0.488 12.143 22 H ALA 5 H ALA 5 5.570 1.973 14.564 23 HA ALA 5 HA ALA 5 6.152 0.248 16.850 24 HB1 ALA 5 HB1 ALA 5 7.458 -0.483 14.704 25 HB2 ALA 5 HB2 ALA 5 8.321 -0.337 16.235 26 HB3 ALA 5 HB3 ALA 5 8.434 0.948 15.033 27 H ALA 6 H ALA 6 7.773 1.231 18.298 28 HA ALA 6 HA ALA 6 7.229 3.913 18.870 29 HB1 ALA 6 HB1 ALA 6 9.696 2.334 19.639 30 HB2 ALA 6 HB2 ALA 6 8.159 2.298 20.503 31 HB3 ALA 6 HB3 ALA 6 9.098 3.788 20.436 32 H ARG 7 H ARG 7 8.391 5.828 18.563 33 HA ARG 7 HA ARG 7 9.481 6.224 16.025 34 HB2 ARG 7 HB2 ARG 7 9.818 7.874 18.538 35 HB3 ARG 7 HB3 ARG 7 10.262 8.415 16.919 36 HG2 ARG 7 HG2 ARG 7 7.901 8.010 16.190 37 HG3 ARG 7 HG3 ARG 7 7.490 7.633 17.863 38 HD2 ARG 7 HD2 ARG 7 8.603 10.263 16.849 39 HD3 ARG 7 HD3 ARG 7 6.950 9.971 17.383 40 HE ARG 7 HE ARG 7 9.300 10.293 19.068 41 HH11 ARG 7 HH11 ARG 7 5.963 9.212 18.926 42 HH12 ARG 7 HH12 ARG 7 5.742 9.349 20.639 43 HH21 ARG 7 HH21 ARG 7 8.955 10.449 21.264 44 HH22 ARG 7 HH22 ARG 7 7.416 10.040 21.946 45 H ASP 8 H ASP 8 11.094 5.565 19.111 46 HA ASP 8 HA ASP 8 13.736 6.042 18.257 47 HB2 ASP 8 HB2 ASP 8 14.404 4.658 20.169 48 HB3 ASP 8 HB3 ASP 8 13.121 5.777 20.621 49 H GLU 9 H GLU 9 11.722 3.123 18.140 50 HA GLU 9 HA GLU 9 13.747 1.440 17.043 51 HB2 GLU 9 HB2 GLU 9 10.729 1.224 16.955 52 HB3 GLU 9 HB3 GLU 9 11.843 -0.049 16.458 53 HG2 GLU 9 HG2 GLU 9 12.842 -0.025 18.738 54 HG3 GLU 9 HG3 GLU 9 11.653 1.177 19.223 55 H SER 10 H SER 10 11.184 3.440 15.638 56 HA SER 10 HA SER 10 11.496 2.595 12.960 57 HB2 SER 10 HB2 SER 10 10.559 5.294 13.959 58 HB3 SER 10 HB3 SER 10 10.249 4.597 12.373 59 HG SER 10 HG SER 10 9.488 3.404 14.777 60 H ALA 11 H ALA 11 13.030 5.183 14.830 61 HA ALA 11 HA ALA 11 14.321 6.467 12.679 62 HB1 ALA 11 HB1 ALA 11 14.763 6.367 15.641 63 HB2 ALA 11 HB2 ALA 11 14.298 7.732 14.625 64 HB3 ALA 11 HB3 ALA 11 15.961 7.144 14.605 65 H TYR 12 H TYR 12 15.298 3.751 14.726 66 HA TYR 12 HA TYR 12 17.984 3.582 13.914 67 HB2 TYR 12 HB2 TYR 12 16.991 2.353 15.826 68 HB3 TYR 12 HB3 TYR 12 16.130 1.329 14.693 69 HD1 TYR 12 HD1 TYR 12 19.443 2.226 16.056 70 HD2 TYR 12 HD2 TYR 12 17.261 -0.439 13.491 71 HE1 TYR 12 HE1 TYR 12 21.406 0.716 15.956 72 HE2 TYR 12 HE2 TYR 12 19.225 -1.951 13.389 73 HH TYR 12 HH TYR 12 22.181 -1.220 15.138 74 H LEU 13 H LEU 13 15.037 2.151 12.546 75 HA LEU 13 HA LEU 13 16.312 0.550 10.596 76 HB2 LEU 13 HB2 LEU 13 13.930 0.321 11.324 77 HB3 LEU 13 HB3 LEU 13 13.561 1.799 10.435 78 HG LEU 13 HG LEU 13 14.600 0.642 8.391 79 HD11 LEU 13 HD11 LEU 13 15.765 -1.163 9.505 80 HD12 LEU 13 HD12 LEU 13 14.480 -1.870 8.528 81 HD13 LEU 13 HD13 LEU 13 14.275 -1.711 10.273 82 HD21 LEU 13 HD21 LEU 13 12.507 -0.606 7.933 83 HD22 LEU 13 HD22 LEU 13 12.176 0.966 8.659 84 HD23 LEU 13 HD23 LEU 13 12.080 -0.496 9.641 85 H LYS 14 H LYS 14 14.982 3.850 10.439 86 HA LYS 14 HA LYS 14 15.483 4.266 7.689 87 HB2 LYS 14 HB2 LYS 14 15.404 6.325 9.905 88 HB3 LYS 14 HB3 LYS 14 15.216 6.644 8.182 89 HG2 LYS 14 HG2 LYS 14 13.381 4.874 9.823 90 HG3 LYS 14 HG3 LYS 14 13.030 6.540 9.368 91 HD2 LYS 14 HD2 LYS 14 13.287 5.854 6.957 92 HD3 LYS 14 HD3 LYS 14 13.402 4.180 7.505 93 HE2 LYS 14 HE2 LYS 14 11.196 4.181 8.356 94 HE3 LYS 14 HE3 LYS 14 11.089 5.940 8.307 95 HZ1 LYS 14 HZ1 LYS 14 10.830 3.997 6.139 96 HZ2 LYS 14 HZ2 LYS 14 11.545 5.493 5.768 97 HZ3 LYS 14 HZ3 LYS 14 9.974 5.436 6.412 98 H LEU 15 H LEU 15 17.498 4.737 10.551 99 HA LEU 15 HA LEU 15 19.531 6.279 9.394 100 HB2 LEU 15 HB2 LEU 15 19.263 5.816 11.834 101 HB3 LEU 15 HB3 LEU 15 19.864 4.183 11.550 102 HG LEU 15 HG LEU 15 21.913 5.286 10.472 103 HD11 LEU 15 HD11 LEU 15 20.498 7.655 11.678 104 HD12 LEU 15 HD12 LEU 15 21.264 7.513 10.096 105 HD13 LEU 15 HD13 LEU 15 22.256 7.640 11.548 106 HD21 LEU 15 HD21 LEU 15 22.843 5.921 12.788 107 HD22 LEU 15 HD22 LEU 15 22.208 4.285 12.611 108 HD23 LEU 15 HD23 LEU 15 21.241 5.524 13.411 109 H GLN 16 H GLN 16 19.044 2.770 9.449 110 HA GLN 16 HA GLN 16 21.569 2.023 8.450 111 HB2 GLN 16 HB2 GLN 16 18.886 0.657 8.134 112 HB3 GLN 16 HB3 GLN 16 20.446 -0.084 7.781 113 HG2 GLN 16 HG2 GLN 16 19.574 0.986 10.481 114 HG3 GLN 16 HG3 GLN 16 19.655 -0.714 10.031 115 HE21 GLN 16 HE21 GLN 16 21.317 1.371 11.867 116 HE22 GLN 16 HE22 GLN 16 22.908 0.852 11.582 117 H GLU 17 H GLU 17 18.534 2.816 6.774 118 HA GLU 17 HA GLU 17 19.552 2.277 4.160 119 HB2 GLU 17 HB2 GLU 17 17.120 2.356 4.749 120 HB3 GLU 17 HB3 GLU 17 17.262 4.107 4.914 121 HG2 GLU 17 HG2 GLU 17 18.098 4.225 2.570 122 HG3 GLU 17 HG3 GLU 17 17.843 2.492 2.416 123 H GLN 18 H GLN 18 19.248 5.202 6.131 124 HA GLN 18 HA GLN 18 20.061 7.070 4.187 125 HB2 GLN 18 HB2 GLN 18 19.013 7.598 6.411 126 HB3 GLN 18 HB3 GLN 18 20.568 7.243 7.163 127 HG2 GLN 18 HG2 GLN 18 20.580 9.594 6.826 128 HG3 GLN 18 HG3 GLN 18 21.568 8.943 5.519 129 HE21 GLN 18 HE21 GLN 18 21.035 9.761 3.493 130 HE22 GLN 18 HE22 GLN 18 19.506 10.355 3.055 131 H MET 19 H MET 19 21.917 5.081 6.445 132 HA MET 19 HA MET 19 24.426 6.283 6.151 133 HB2 MET 19 HB2 MET 19 23.838 4.544 7.838 134 HB3 MET 19 HB3 MET 19 23.854 3.338 6.551 135 HG2 MET 19 HG2 MET 19 26.219 3.949 6.052 136 HG3 MET 19 HG3 MET 19 26.193 5.061 7.423 137 HE1 MET 19 HE1 MET 19 28.259 3.664 7.386 138 HE2 MET 19 HE2 MET 19 28.434 2.019 7.992 139 HE3 MET 19 HE3 MET 19 28.268 3.356 9.127 140 H ARG 20 H ARG 20 22.792 3.867 4.151 141 HA ARG 20 HA ARG 20 24.998 3.053 2.613 142 HB2 ARG 20 HB2 ARG 20 22.106 3.247 1.739 143 HB3 ARG 20 HB3 ARG 20 23.358 2.260 0.987 144 HG2 ARG 20 HG2 ARG 20 22.464 1.968 3.868 145 HG3 ARG 20 HG3 ARG 20 21.872 0.970 2.543 146 HD2 ARG 20 HD2 ARG 20 24.237 0.288 2.071 147 HD3 ARG 20 HD3 ARG 20 24.739 1.180 3.503 148 HE ARG 20 HE ARG 20 22.721 -0.542 4.326 149 HH11 ARG 20 HH11 ARG 20 25.923 -0.881 2.926 150 HH12 ARG 20 HH12 ARG 20 26.201 -2.414 3.686 151 HH21 ARG 20 HH21 ARG 20 23.136 -2.515 5.277 152 HH22 ARG 20 HH22 ARG 20 24.641 -3.325 5.000 153 H LYS 21 H LYS 21 22.778 5.783 2.216 154 HA LYS 21 HA LYS 21 23.571 6.559 -0.366 155 HB2 LYS 21 HB2 LYS 21 21.582 7.445 0.849 156 HB3 LYS 21 HB3 LYS 21 22.667 8.359 1.894 157 HG2 LYS 21 HG2 LYS 21 22.004 9.892 0.203 158 HG3 LYS 21 HG3 LYS 21 23.625 9.381 -0.260 159 HD2 LYS 21 HD2 LYS 21 22.699 7.762 -1.844 160 HD3 LYS 21 HD3 LYS 21 21.061 8.177 -1.338 161 HE2 LYS 21 HE2 LYS 21 21.511 9.391 -3.370 162 HE3 LYS 21 HE3 LYS 21 21.540 10.554 -2.045 163 HZ1 LYS 21 HZ1 LYS 21 23.967 9.224 -3.110 164 HZ2 LYS 21 HZ2 LYS 21 23.895 10.529 -2.024 165 HZ3 LYS 21 HZ3 LYS 21 23.423 10.740 -3.643 166 H ILE 22 H ILE 22 24.794 7.545 2.827 167 HA ILE 22 HA ILE 22 26.766 9.336 1.847 168 HB ILE 22 HB ILE 22 26.748 7.778 4.449 169 HG12 ILE 22 HG12 ILE 22 25.742 10.581 3.867 170 HG13 ILE 22 HG13 ILE 22 24.694 9.170 4.007 171 HG21 ILE 22 HG21 ILE 22 28.177 9.626 5.252 172 HG22 ILE 22 HG22 ILE 22 28.152 10.347 3.644 173 HG23 ILE 22 HG23 ILE 22 28.935 8.787 3.899 174 HD11 ILE 22 HD11 ILE 22 24.774 10.343 6.152 175 HD12 ILE 22 HD12 ILE 22 26.536 10.251 6.161 176 HD13 ILE 22 HD13 ILE 22 25.575 8.779 6.303 177 H ASP 23 H ASP 23 26.850 5.905 2.740 178 HA ASP 23 HA ASP 23 29.602 5.472 2.407 179 HB2 ASP 23 HB2 ASP 23 27.994 3.884 3.469 180 HB3 ASP 23 HB3 ASP 23 27.374 3.501 1.868 181 H ALA 24 H ALA 24 26.941 5.385 0.068 182 HA ALA 24 HA ALA 24 28.436 4.349 -2.104 183 HB1 ALA 24 HB1 ALA 24 26.612 5.350 -3.502 184 HB2 ALA 24 HB2 ALA 24 25.963 6.090 -2.040 185 HB3 ALA 24 HB3 ALA 24 26.022 4.334 -2.188 186 H ASP 25 H ASP 25 27.685 7.675 -1.099 187 HA ASP 25 HA ASP 25 29.013 8.979 -3.224 188 HB2 ASP 25 HB2 ASP 25 28.469 9.902 -0.394 189 HB3 ASP 25 HB3 ASP 25 29.022 10.946 -1.701 190 H ALA 26 H ALA 26 30.132 7.856 -0.059 191 HA ALA 26 HA ALA 26 32.678 9.065 -0.103 192 HB1 ALA 26 HB1 ALA 26 33.213 7.672 1.721 193 HB2 ALA 26 HB2 ALA 26 32.105 6.406 1.190 194 HB3 ALA 26 HB3 ALA 26 31.470 7.914 1.849 195 H ALA 27 H ALA 27 31.493 6.067 -1.533 196 HA ALA 27 HA ALA 27 33.949 4.803 -2.019 197 HB1 ALA 27 HB1 ALA 27 32.776 3.424 -3.556 198 HB2 ALA 27 HB2 ALA 27 31.569 4.671 -3.870 199 HB3 ALA 27 HB3 ALA 27 31.603 3.848 -2.309 200 H ALA 28 H ALA 28 32.204 7.260 -3.882 201 HA ALA 28 HA ALA 28 34.492 7.393 -5.762 202 HB1 ALA 28 HB1 ALA 28 33.042 8.080 -7.443 203 HB2 ALA 28 HB2 ALA 28 31.817 8.635 -6.302 204 HB3 ALA 28 HB3 ALA 28 32.062 6.908 -6.561 205 H LEU 29 H LEU 29 34.220 8.759 -3.059 206 HA LEU 29 HA LEU 29 33.757 11.518 -3.457 207 HB2 LEU 29 HB2 LEU 29 34.176 10.053 -1.269 208 HB3 LEU 29 HB3 LEU 29 35.829 10.600 -1.504 209 HG LEU 29 HG LEU 29 34.706 12.128 -0.001 210 HD11 LEU 29 HD11 LEU 29 35.305 14.136 -0.989 211 HD12 LEU 29 HD12 LEU 29 34.644 13.685 -2.560 212 HD13 LEU 29 HD13 LEU 29 36.171 12.992 -2.014 213 HD21 LEU 29 HD21 LEU 29 32.401 11.482 -1.098 214 HD22 LEU 29 HD22 LEU 29 32.710 12.903 -2.097 215 HD23 LEU 29 HD23 LEU 29 32.610 13.062 -0.342 216 H SER 30 H SER 30 36.670 9.527 -3.785 217 HA SER 30 HA SER 30 38.545 11.564 -4.220 218 HB2 SER 30 HB2 SER 30 38.999 9.088 -3.900 219 HB3 SER 30 HB3 SER 30 38.552 8.871 -5.588 220 HG SER 30 HG SER 30 40.353 9.829 -6.126 221 H GLU 31 H GLU 31 36.295 9.984 -6.449 222 HA GLU 31 HA GLU 31 37.320 11.037 -8.853 223 HB2 GLU 31 HB2 GLU 31 34.489 10.249 -8.129 224 HB3 GLU 31 HB3 GLU 31 35.068 10.548 -9.769 225 HG2 GLU 31 HG2 GLU 31 36.179 8.455 -7.879 226 HG3 GLU 31 HG3 GLU 31 35.084 8.132 -9.217 227 H THR 32 H THR 32 35.068 12.377 -6.481 228 HA THR 32 HA THR 32 34.385 14.644 -8.144 229 HB THR 32 HB THR 32 33.884 14.207 -5.190 230 HG1 THR 32 HG1 THR 32 32.332 12.986 -5.831 231 HG21 THR 32 HG21 THR 32 32.560 16.010 -7.238 232 HG22 THR 32 HG22 THR 32 33.630 16.541 -5.940 233 HG23 THR 32 HG23 THR 32 32.062 15.831 -5.556 234 H ARG 33 H ARG 33 35.331 16.605 -8.169 235 HA ARG 33 HA ARG 33 37.282 17.273 -6.054 236 HB2 ARG 33 HB2 ARG 33 38.811 18.173 -7.769 237 HB3 ARG 33 HB3 ARG 33 38.571 16.435 -7.949 238 HG2 ARG 33 HG2 ARG 33 36.845 16.879 -9.686 239 HG3 ARG 33 HG3 ARG 33 37.177 18.605 -9.544 240 HD2 ARG 33 HD2 ARG 33 39.208 16.498 -10.333 241 HD3 ARG 33 HD3 ARG 33 38.391 17.591 -11.445 242 HE ARG 33 HE ARG 33 39.908 18.795 -9.246 243 HH11 ARG 33 HH11 ARG 33 39.843 17.974 -12.665 244 HH12 ARG 33 HH12 ARG 33 41.029 19.166 -13.067 245 HH21 ARG 33 HH21 ARG 33 41.434 20.303 -9.835 246 HH22 ARG 33 HH22 ARG 33 41.920 20.464 -11.490 247 H THR 34 H THR 34 34.512 18.196 -6.521 248 HA THR 34 HA THR 34 35.097 21.072 -6.806 249 HB THR 34 HB THR 34 34.169 20.255 -8.944 250 HG1 THR 34 HG1 THR 34 33.515 22.224 -8.682 251 HG21 THR 34 HG21 THR 34 31.791 19.481 -7.232 252 HG22 THR 34 HG22 THR 34 32.825 18.385 -8.148 253 HG23 THR 34 HG23 THR 34 31.786 19.531 -8.995 254 H ILE 35 H ILE 35 33.585 22.473 -5.760 255 HA ILE 35 HA ILE 35 32.640 21.322 -3.275 256 HB ILE 35 HB ILE 35 32.253 23.646 -2.601 257 HG12 ILE 35 HG12 ILE 35 33.200 24.371 -5.391 258 HG13 ILE 35 HG13 ILE 35 31.515 24.439 -4.871 259 HG21 ILE 35 HG21 ILE 35 34.892 23.513 -4.064 260 HG22 ILE 35 HG22 ILE 35 34.571 22.528 -2.637 261 HG23 ILE 35 HG23 ILE 35 34.536 24.287 -2.521 262 HD11 ILE 35 HD11 ILE 35 33.805 25.973 -3.604 263 HD12 ILE 35 HD12 ILE 35 32.118 26.039 -3.096 264 HD13 ILE 35 HD13 ILE 35 32.587 26.655 -4.680 265 H GLU 36 H GLU 36 31.199 22.411 -6.262 266 HA GLU 36 HA GLU 36 28.627 23.053 -5.284 267 HB2 GLU 36 HB2 GLU 36 27.905 22.812 -7.622 268 HB3 GLU 36 HB3 GLU 36 29.404 23.733 -7.502 269 HG2 GLU 36 HG2 GLU 36 30.671 21.621 -7.972 270 HG3 GLU 36 HG3 GLU 36 29.137 20.806 -8.240 271 H GLU 37 H GLU 37 30.050 19.989 -6.346 272 HA GLU 37 HA GLU 37 27.634 18.491 -6.248 273 HB2 GLU 37 HB2 GLU 37 30.520 17.615 -6.034 274 HB3 GLU 37 HB3 GLU 37 29.150 16.515 -6.199 275 HG2 GLU 37 HG2 GLU 37 29.859 18.719 -8.155 276 HG3 GLU 37 HG3 GLU 37 30.215 17.012 -8.388 277 H LEU 38 H LEU 38 30.039 19.334 -3.820 278 HA LEU 38 HA LEU 38 29.439 17.427 -1.868 279 HB2 LEU 38 HB2 LEU 38 30.284 20.301 -1.447 280 HB3 LEU 38 HB3 LEU 38 30.414 19.000 -0.265 281 HG LEU 38 HG LEU 38 31.774 19.009 -2.977 282 HD11 LEU 38 HD11 LEU 38 32.588 20.697 -1.224 283 HD12 LEU 38 HD12 LEU 38 33.794 19.571 -1.844 284 HD13 LEU 38 HD13 LEU 38 33.068 19.301 -0.259 285 HD21 LEU 38 HD21 LEU 38 31.523 16.750 -2.371 286 HD22 LEU 38 HD22 LEU 38 31.688 17.096 -0.650 287 HD23 LEU 38 HD23 LEU 38 33.103 17.154 -1.701 288 H ASP 39 H ASP 39 27.656 20.308 -2.780 289 HA ASP 39 HA ASP 39 26.228 20.846 -0.462 290 HB2 ASP 39 HB2 ASP 39 25.326 21.007 -3.344 291 HB3 ASP 39 HB3 ASP 39 24.455 21.719 -1.987 292 H THR 40 H THR 40 25.586 18.389 -2.940 293 HA THR 40 HA THR 40 23.124 17.483 -1.840 294 HB THR 40 HB THR 40 23.460 15.502 -3.241 295 HG1 THR 40 HG1 THR 40 25.526 15.039 -3.182 296 HG21 THR 40 HG21 THR 40 24.468 17.956 -4.697 297 HG22 THR 40 HG22 THR 40 22.782 17.727 -4.235 298 HG23 THR 40 HG23 THR 40 23.543 16.615 -5.372 299 H PHE 41 H PHE 41 26.499 16.534 -1.350 300 HA PHE 41 HA PHE 41 26.039 14.293 0.297 301 HB2 PHE 41 HB2 PHE 41 28.200 14.746 -0.722 302 HB3 PHE 41 HB3 PHE 41 28.358 16.225 0.203 303 HD1 PHE 41 HD1 PHE 41 28.365 12.520 0.392 304 HD2 PHE 41 HD2 PHE 41 29.079 16.201 2.484 305 HE1 PHE 41 HE1 PHE 41 29.488 11.266 2.215 306 HE2 PHE 41 HE2 PHE 41 30.201 14.951 4.305 307 HZ PHE 41 HZ PHE 41 30.408 12.486 4.174 308 H LYS 42 H LYS 42 26.483 17.734 1.082 309 HA LYS 42 HA LYS 42 26.706 17.472 3.855 310 HB2 LYS 42 HB2 LYS 42 25.533 19.734 2.223 311 HB3 LYS 42 HB3 LYS 42 25.936 19.841 3.937 312 HG2 LYS 42 HG2 LYS 42 28.287 19.208 3.386 313 HG3 LYS 42 HG3 LYS 42 27.863 19.244 1.674 314 HD2 LYS 42 HD2 LYS 42 27.154 21.625 1.942 315 HD3 LYS 42 HD3 LYS 42 27.725 21.572 3.609 316 HE2 LYS 42 HE2 LYS 42 29.958 20.710 2.524 317 HE3 LYS 42 HE3 LYS 42 29.315 21.463 1.064 318 HZ1 LYS 42 HZ1 LYS 42 30.528 23.138 2.102 319 HZ2 LYS 42 HZ2 LYS 42 29.967 22.728 3.653 320 HZ3 LYS 42 HZ3 LYS 42 28.925 23.478 2.541 321 H LEU 43 H LEU 43 23.813 17.753 1.820 322 HA LEU 43 HA LEU 43 21.947 17.934 3.949 323 HB2 LEU 43 HB2 LEU 43 21.556 16.830 1.156 324 HB3 LEU 43 HB3 LEU 43 20.272 17.310 2.266 325 HG LEU 43 HG LEU 43 22.443 19.170 1.254 326 HD11 LEU 43 HD11 LEU 43 20.775 18.340 -0.481 327 HD12 LEU 43 HD12 LEU 43 20.800 20.087 -0.238 328 HD13 LEU 43 HD13 LEU 43 19.515 19.115 0.481 329 HD21 LEU 43 HD21 LEU 43 20.057 19.453 3.067 330 HD22 LEU 43 HD22 LEU 43 20.609 20.834 2.120 331 HD23 LEU 43 HD23 LEU 43 21.693 20.073 3.285 332 H ASP 44 H ASP 44 23.331 15.179 2.200 333 HA ASP 44 HA ASP 44 21.712 13.164 3.320 334 HB2 ASP 44 HB2 ASP 44 24.575 13.051 2.349 335 HB3 ASP 44 HB3 ASP 44 23.589 11.640 2.725 336 H VAL 45 H VAL 45 24.753 14.617 4.421 337 HA VAL 45 HA VAL 45 25.138 12.929 6.664 338 HB VAL 45 HB VAL 45 26.037 15.794 6.255 339 HG11 VAL 45 HG11 VAL 45 26.247 15.116 8.592 340 HG12 VAL 45 HG12 VAL 45 27.846 15.138 7.849 341 HG13 VAL 45 HG13 VAL 45 27.017 13.603 8.112 342 HG21 VAL 45 HG21 VAL 45 27.452 13.174 5.674 343 HG22 VAL 45 HG22 VAL 45 28.111 14.790 5.421 344 HG23 VAL 45 HG23 VAL 45 26.746 14.232 4.453 345 H ALA 46 H ALA 46 23.402 15.993 6.230 346 HA ALA 46 HA ALA 46 22.825 16.529 8.920 347 HB1 ALA 46 HB1 ALA 46 22.398 17.972 6.812 348 HB2 ALA 46 HB2 ALA 46 21.231 18.064 8.131 349 HB3 ALA 46 HB3 ALA 46 20.872 17.096 6.701 350 H ASP 47 H ASP 47 21.095 14.541 6.536 351 HA ASP 47 HA ASP 47 18.892 13.856 8.153 352 HB2 ASP 47 HB2 ASP 47 20.259 12.285 5.956 353 HB3 ASP 47 HB3 ASP 47 18.693 11.879 6.653 354 H PHE 48 H PHE 48 22.087 12.356 7.771 355 HA PHE 48 HA PHE 48 21.641 10.146 9.471 356 HB2 PHE 48 HB2 PHE 48 23.537 10.314 7.909 357 HB3 PHE 48 HB3 PHE 48 24.216 11.606 8.879 358 HD1 PHE 48 HD1 PHE 48 25.666 11.113 10.665 359 HD2 PHE 48 HD2 PHE 48 23.176 8.018 9.029 360 HE1 PHE 48 HE1 PHE 48 26.841 9.431 12.056 361 HE2 PHE 48 HE2 PHE 48 24.354 6.336 10.418 362 HZ PHE 48 HZ PHE 48 26.185 7.043 11.934 363 H VAL 49 H VAL 49 23.019 13.365 10.109 364 HA VAL 49 HA VAL 49 23.510 12.933 12.868 365 HB VAL 49 HB VAL 49 23.006 15.524 11.378 366 HG11 VAL 49 HG11 VAL 49 22.792 15.810 13.807 367 HG12 VAL 49 HG12 VAL 49 24.294 16.541 13.244 368 HG13 VAL 49 HG13 VAL 49 24.325 14.976 14.057 369 HG21 VAL 49 HG21 VAL 49 25.373 15.640 11.072 370 HG22 VAL 49 HG22 VAL 49 24.910 14.011 10.582 371 HG23 VAL 49 HG23 VAL 49 25.651 14.281 12.160 372 H THR 50 H THR 50 20.751 14.301 11.096 373 HA THR 50 HA THR 50 19.225 15.037 13.357 374 HB THR 50 HB THR 50 18.204 14.156 10.647 375 HG1 THR 50 HG1 THR 50 18.283 16.509 10.428 376 HG21 THR 50 HG21 THR 50 16.430 14.324 12.289 377 HG22 THR 50 HG22 THR 50 16.349 15.739 11.240 378 HG23 THR 50 HG23 THR 50 17.044 15.877 12.854 379 H THR 51 H THR 51 19.389 12.034 11.476 380 HA THR 51 HA THR 51 17.242 10.747 12.833 381 HB THR 51 HB THR 51 19.535 9.484 11.315 382 HG1 THR 51 HG1 THR 51 18.393 9.941 9.591 383 HG21 THR 51 HG21 THR 51 16.746 8.532 12.027 384 HG22 THR 51 HG22 THR 51 18.267 7.862 12.614 385 HG23 THR 51 HG23 THR 51 17.829 7.698 10.914 386 H VAL 52 H VAL 52 20.792 10.546 13.207 387 HA VAL 52 HA VAL 52 20.686 8.518 15.187 388 HB VAL 52 HB VAL 52 22.696 8.976 13.829 389 HG11 VAL 52 HG11 VAL 52 22.450 11.510 14.015 390 HG12 VAL 52 HG12 VAL 52 24.084 10.878 14.208 391 HG13 VAL 52 HG13 VAL 52 23.152 11.365 15.624 392 HG21 VAL 52 HG21 VAL 52 24.237 8.464 15.552 393 HG22 VAL 52 HG22 VAL 52 22.689 7.881 16.162 394 HG23 VAL 52 HG23 VAL 52 23.347 9.410 16.745 395 H VAL 53 H VAL 53 20.908 12.058 15.403 396 HA VAL 53 HA VAL 53 21.082 12.171 18.234 397 HB VAL 53 HB VAL 53 19.994 14.218 16.279 398 HG11 VAL 53 HG11 VAL 53 19.317 14.590 18.668 399 HG12 VAL 53 HG12 VAL 53 20.374 15.853 18.038 400 HG13 VAL 53 HG13 VAL 53 21.026 14.610 19.105 401 HG21 VAL 53 HG21 VAL 53 22.698 14.261 17.599 402 HG22 VAL 53 HG22 VAL 53 22.173 15.073 16.126 403 HG23 VAL 53 HG23 VAL 53 22.453 13.334 16.120 404 H GLN 54 H GLN 54 18.340 12.219 15.978 405 HA GLN 54 HA GLN 54 16.269 12.674 17.794 406 HB2 GLN 54 HB2 GLN 54 16.038 12.602 15.307 407 HB3 GLN 54 HB3 GLN 54 16.173 10.845 15.386 408 HG2 GLN 54 HG2 GLN 54 14.195 10.738 16.836 409 HG3 GLN 54 HG3 GLN 54 14.067 12.494 16.812 410 HE21 GLN 54 HE21 GLN 54 11.847 11.149 15.931 411 HE22 GLN 54 HE22 GLN 54 11.712 11.237 14.241 412 H LEU 55 H LEU 55 17.882 9.649 16.887 413 HA LEU 55 HA LEU 55 16.300 7.866 18.371 414 HB2 LEU 55 HB2 LEU 55 18.034 7.205 16.708 415 HB3 LEU 55 HB3 LEU 55 19.279 7.692 17.858 416 HG LEU 55 HG LEU 55 18.217 6.077 19.514 417 HD11 LEU 55 HD11 LEU 55 16.881 4.239 18.369 418 HD12 LEU 55 HD12 LEU 55 16.725 5.327 16.991 419 HD13 LEU 55 HD13 LEU 55 16.041 5.779 18.552 420 HD21 LEU 55 HD21 LEU 55 19.217 4.803 16.952 421 HD22 LEU 55 HD22 LEU 55 19.380 4.175 18.592 422 HD23 LEU 55 HD23 LEU 55 20.272 5.617 18.107 423 H ALA 56 H ALA 56 19.070 9.861 19.311 424 HA ALA 56 HA ALA 56 19.445 8.781 21.895 425 HB1 ALA 56 HB1 ALA 56 19.986 11.662 21.253 426 HB2 ALA 56 HB2 ALA 56 20.943 10.388 20.498 427 HB3 ALA 56 HB3 ALA 56 20.919 10.550 22.255 428 H GLU 57 H GLU 57 17.338 11.348 20.673 429 HA GLU 57 HA GLU 57 16.675 12.496 23.169 430 HB2 GLU 57 HB2 GLU 57 15.103 12.408 20.584 431 HB3 GLU 57 HB3 GLU 57 14.741 13.458 21.954 432 HG2 GLU 57 HG2 GLU 57 17.349 13.438 20.411 433 HG3 GLU 57 HG3 GLU 57 16.069 14.629 20.217 434 H GLU 58 H GLU 58 15.166 9.880 21.299 435 HA GLU 58 HA GLU 58 12.853 9.696 22.965 436 HB2 GLU 58 HB2 GLU 58 14.043 7.729 21.000 437 HB3 GLU 58 HB3 GLU 58 12.455 7.571 21.748 438 HG2 GLU 58 HG2 GLU 58 13.353 9.904 20.035 439 HG3 GLU 58 HG3 GLU 58 12.314 8.593 19.494 440 H LEU 59 H LEU 59 15.944 7.968 22.855 441 HA LEU 59 HA LEU 59 15.182 5.902 24.648 442 HB2 LEU 59 HB2 LEU 59 17.905 6.947 23.852 443 HB3 LEU 59 HB3 LEU 59 17.644 5.493 24.816 444 HG LEU 59 HG LEU 59 16.307 5.867 22.133 445 HD11 LEU 59 HD11 LEU 59 18.637 6.031 21.610 446 HD12 LEU 59 HD12 LEU 59 18.191 4.353 21.299 447 HD13 LEU 59 HD13 LEU 59 19.057 4.778 22.776 448 HD21 LEU 59 HD21 LEU 59 15.395 4.114 23.574 449 HD22 LEU 59 HD22 LEU 59 17.012 3.467 23.854 450 HD23 LEU 59 HD23 LEU 59 16.288 3.368 22.249 451 H GLU 60 H GLU 60 16.786 9.028 25.144 452 HA GLU 60 HA GLU 60 17.473 8.589 27.853 453 HB2 GLU 60 HB2 GLU 60 17.010 11.155 26.330 454 HB3 GLU 60 HB3 GLU 60 17.654 11.083 27.971 455 HG2 GLU 60 HG2 GLU 60 19.484 9.605 27.154 456 HG3 GLU 60 HG3 GLU 60 18.874 9.789 25.517 457 H HIS 61 H HIS 61 14.494 9.702 26.343 458 HA HIS 61 HA HIS 61 13.239 10.901 28.524 459 HB2 HIS 61 HB2 HIS 61 12.448 10.714 26.102 460 HB3 HIS 61 HB3 HIS 61 11.826 9.135 26.538 461 HD1 HIS 61 HD1 HIS 61 9.503 10.411 25.805 462 HD2 HIS 61 HD2 HIS 61 11.234 11.584 29.412 463 HE1 HIS 61 HE1 HIS 61 7.701 11.631 27.098 464 H ARG 62 H ARG 62 13.451 7.478 27.635 465 HA ARG 62 HA ARG 62 12.046 6.733 30.106 466 HB2 ARG 62 HB2 ARG 62 12.883 5.127 27.686 467 HB3 ARG 62 HB3 ARG 62 12.117 4.432 29.116 468 HG2 ARG 62 HG2 ARG 62 10.200 6.000 28.805 469 HG3 ARG 62 HG3 ARG 62 10.946 6.566 27.310 470 HD2 ARG 62 HD2 ARG 62 10.077 3.722 27.898 471 HD3 ARG 62 HD3 ARG 62 9.262 4.851 26.819 472 HE ARG 62 HE ARG 62 11.602 3.296 26.225 473 HH11 ARG 62 HH11 ARG 62 10.006 6.331 25.472 474 HH12 ARG 62 HH12 ARG 62 10.779 6.469 23.928 475 HH21 ARG 62 HH21 ARG 62 12.567 3.529 24.226 476 HH22 ARG 62 HH22 ARG 62 12.209 4.902 23.233 477 H PHE 63 H PHE 63 14.859 5.401 28.348 478 HA PHE 63 HA PHE 63 15.963 4.088 30.559 479 HB2 PHE 63 HB2 PHE 63 17.310 5.150 28.078 480 HB3 PHE 63 HB3 PHE 63 18.070 4.074 29.233 481 HD1 PHE 63 HD1 PHE 63 17.117 3.912 26.109 482 HD2 PHE 63 HD2 PHE 63 15.858 2.192 29.839 483 HE1 PHE 63 HE1 PHE 63 16.172 1.967 24.893 484 HE2 PHE 63 HE2 PHE 63 14.912 0.248 28.623 485 HZ PHE 63 HZ PHE 63 15.069 0.135 26.150 486 H GLY 64 H GLY 64 16.363 7.416 29.460 487 HA2 GLY 64 HA2 GLY 64 16.982 9.141 31.032 488 HA3 GLY 64 HA3 GLY 64 17.971 7.959 31.880 489 H ARG 65 H ARG 65 19.859 7.090 30.697 490 HA ARG 65 HA ARG 65 20.923 8.957 28.665 491 HB2 ARG 65 HB2 ARG 65 22.443 7.853 31.041 492 HB3 ARG 65 HB3 ARG 65 23.108 8.881 29.772 493 HG2 ARG 65 HG2 ARG 65 20.798 9.692 31.556 494 HG3 ARG 65 HG3 ARG 65 22.479 10.121 31.873 495 HD2 ARG 65 HD2 ARG 65 22.565 11.209 29.614 496 HD3 ARG 65 HD3 ARG 65 20.841 10.895 29.444 497 HE ARG 65 HE ARG 65 20.429 12.654 30.870 498 HH11 ARG 65 HH11 ARG 65 23.792 11.727 31.253 499 HH12 ARG 65 HH12 ARG 65 24.143 13.052 32.311 500 HH21 ARG 65 HH21 ARG 65 20.937 14.339 32.242 501 HH22 ARG 65 HH22 ARG 65 22.543 14.515 32.863 502 H ASN 66 H ASN 66 22.375 8.053 27.181 503 HA ASN 66 HA ASN 66 22.350 5.088 27.086 504 HB2 ASN 66 HB2 ASN 66 22.334 7.035 24.769 505 HB3 ASN 66 HB3 ASN 66 22.265 5.278 24.659 506 HD21 ASN 66 HD21 ASN 66 20.382 8.164 25.277 507 HD22 ASN 66 HD22 ASN 66 18.889 7.378 25.475 508 H ARG 67 H ARG 67 24.086 4.435 25.269 509 HA ARG 67 HA ARG 67 26.651 4.848 26.280 510 HB2 ARG 67 HB2 ARG 67 25.948 3.039 24.682 511 HB3 ARG 67 HB3 ARG 67 25.988 4.240 23.391 512 HG2 ARG 67 HG2 ARG 67 28.370 4.697 23.907 513 HG3 ARG 67 HG3 ARG 67 28.328 3.453 25.157 514 HD2 ARG 67 HD2 ARG 67 27.647 1.796 23.402 515 HD3 ARG 67 HD3 ARG 67 27.875 3.051 22.188 516 HE ARG 67 HE ARG 67 30.175 2.810 22.420 517 HH11 ARG 67 HH11 ARG 67 28.602 1.118 25.063 518 HH12 ARG 67 HH12 ARG 67 30.054 0.298 25.534 519 HH21 ARG 67 HH21 ARG 67 32.012 1.718 23.072 520 HH22 ARG 67 HH22 ARG 67 31.955 0.634 24.421 521 H ARG 68 H ARG 68 24.913 6.616 23.749 522 HA ARG 68 HA ARG 68 26.957 8.757 23.950 523 HB2 ARG 68 HB2 ARG 68 25.122 8.145 21.614 524 HB3 ARG 68 HB3 ARG 68 26.340 9.417 21.678 525 HG2 ARG 68 HG2 ARG 68 26.959 6.465 21.959 526 HG3 ARG 68 HG3 ARG 68 27.099 7.364 20.450 527 HD2 ARG 68 HD2 ARG 68 28.690 8.925 21.586 528 HD3 ARG 68 HD3 ARG 68 28.622 7.897 23.014 529 HE ARG 68 HE ARG 68 29.274 6.293 20.797 530 HH11 ARG 68 HH11 ARG 68 30.732 8.852 22.706 531 HH12 ARG 68 HH12 ARG 68 32.345 8.303 22.392 532 HH21 ARG 68 HH21 ARG 68 31.372 5.634 20.428 533 HH22 ARG 68 HH22 ARG 68 32.701 6.504 21.119 534 H GLY 69 H GLY 69 26.201 10.476 25.027 535 HA2 GLY 69 HA2 GLY 69 23.401 10.778 25.626 536 HA3 GLY 69 HA3 GLY 69 24.693 11.877 26.097 537 H ARG 70 H ARG 70 22.050 12.548 25.006 538 HA ARG 70 HA ARG 70 22.066 13.168 22.292 539 HB2 ARG 70 HB2 ARG 70 20.445 14.999 22.880 540 HB3 ARG 70 HB3 ARG 70 20.015 13.407 23.496 541 HG2 ARG 70 HG2 ARG 70 20.985 14.020 25.701 542 HG3 ARG 70 HG3 ARG 70 21.348 15.628 25.076 543 HD2 ARG 70 HD2 ARG 70 18.578 14.414 25.195 544 HD3 ARG 70 HD3 ARG 70 19.216 15.581 26.350 545 HE ARG 70 HE ARG 70 18.304 16.116 23.656 546 HH11 ARG 70 HH11 ARG 70 20.296 17.310 26.291 547 HH12 ARG 70 HH12 ARG 70 20.238 18.945 25.723 548 HH21 ARG 70 HH21 ARG 70 18.272 18.235 22.973 549 HH22 ARG 70 HH22 ARG 70 19.106 19.462 23.866 550 H THR 71 H THR 71 23.331 15.053 25.013 551 HA THR 71 HA THR 71 24.092 17.315 23.466 552 HB THR 71 HB THR 71 25.306 16.341 26.063 553 HG1 THR 71 HG1 THR 71 23.194 16.630 26.419 554 HG21 THR 71 HG21 THR 71 26.675 18.071 25.253 555 HG22 THR 71 HG22 THR 71 25.531 18.922 26.290 556 HG23 THR 71 HG23 THR 71 25.316 18.939 24.540 557 H GLU 72 H GLU 72 25.761 14.345 24.425 558 HA GLU 72 HA GLU 72 28.361 15.061 23.673 559 HB2 GLU 72 HB2 GLU 72 27.730 13.042 25.002 560 HB3 GLU 72 HB3 GLU 72 27.142 12.298 23.514 561 HG2 GLU 72 HG2 GLU 72 29.401 12.602 22.508 562 HG3 GLU 72 HG3 GLU 72 29.972 13.244 24.041 563 H ILE 73 H ILE 73 25.701 13.718 21.752 564 HA ILE 73 HA ILE 73 27.179 13.087 19.444 565 HB ILE 73 HB ILE 73 24.296 14.014 19.604 566 HG12 ILE 73 HG12 ILE 73 25.392 11.188 19.587 567 HG13 ILE 73 HG13 ILE 73 24.952 12.037 21.068 568 HG21 ILE 73 HG21 ILE 73 25.852 12.446 17.521 569 HG22 ILE 73 HG22 ILE 73 25.120 14.037 17.313 570 HG23 ILE 73 HG23 ILE 73 24.096 12.616 17.524 571 HD11 ILE 73 HD11 ILE 73 22.995 10.838 20.524 572 HD12 ILE 73 HD12 ILE 73 23.167 11.170 18.801 573 HD13 ILE 73 HD13 ILE 73 22.673 12.457 19.901 574 H TYR 74 H TYR 74 25.566 16.107 20.422 575 HA TYR 74 HA TYR 74 26.051 17.523 18.032 576 HB2 TYR 74 HB2 TYR 74 25.636 18.460 20.864 577 HB3 TYR 74 HB3 TYR 74 25.797 19.559 19.508 578 HD1 TYR 74 HD1 TYR 74 23.584 17.384 21.360 579 HD2 TYR 74 HD2 TYR 74 24.107 19.422 17.615 580 HE1 TYR 74 HE1 TYR 74 21.161 17.145 20.891 581 HE2 TYR 74 HE2 TYR 74 21.683 19.183 17.146 582 HH TYR 74 HH TYR 74 19.520 18.804 18.902 583 H LYS 75 H LYS 75 28.032 17.062 20.930 584 HA LYS 75 HA LYS 75 29.981 19.022 20.355 585 HB2 LYS 75 HB2 LYS 75 30.351 16.405 21.829 586 HB3 LYS 75 HB3 LYS 75 31.409 17.812 21.920 587 HG2 LYS 75 HG2 LYS 75 28.487 17.798 22.722 588 HG3 LYS 75 HG3 LYS 75 29.837 17.679 23.847 589 HD2 LYS 75 HD2 LYS 75 30.685 19.875 22.943 590 HD3 LYS 75 HD3 LYS 75 29.185 20.009 22.022 591 HE2 LYS 75 HE2 LYS 75 28.038 19.565 24.339 592 HE3 LYS 75 HE3 LYS 75 29.585 20.097 24.998 593 HZ1 LYS 75 HZ1 LYS 75 28.288 22.018 24.811 594 HZ2 LYS 75 HZ2 LYS 75 27.717 21.603 23.266 595 HZ3 LYS 75 HZ3 LYS 75 29.335 22.081 23.477 596 H ILE 76 H ILE 76 29.898 15.533 19.576 597 HA ILE 76 HA ILE 76 32.454 15.610 18.299 598 HB ILE 76 HB ILE 76 31.557 13.565 19.335 599 HG12 ILE 76 HG12 ILE 76 31.889 13.063 16.380 600 HG13 ILE 76 HG13 ILE 76 33.235 13.635 17.365 601 HG21 ILE 76 HG21 ILE 76 29.205 13.798 18.703 602 HG22 ILE 76 HG22 ILE 76 29.841 12.261 18.123 603 HG23 ILE 76 HG23 ILE 76 29.623 13.602 17.000 604 HD11 ILE 76 HD11 ILE 76 31.613 11.243 18.218 605 HD12 ILE 76 HD12 ILE 76 33.251 11.692 18.691 606 HD13 ILE 76 HD13 ILE 76 32.941 11.072 17.070 607 H VAL 77 H VAL 77 29.127 15.890 17.135 608 HA VAL 77 HA VAL 77 29.647 15.552 14.391 609 HB VAL 77 HB VAL 77 27.532 17.202 15.795 610 HG11 VAL 77 HG11 VAL 77 27.579 16.262 12.910 611 HG12 VAL 77 HG12 VAL 77 27.864 17.925 13.425 612 HG13 VAL 77 HG13 VAL 77 26.290 17.175 13.695 613 HG21 VAL 77 HG21 VAL 77 27.813 14.545 15.965 614 HG22 VAL 77 HG22 VAL 77 27.010 14.601 14.401 615 HG23 VAL 77 HG23 VAL 77 26.228 15.296 15.818 616 H LYS 78 H LYS 78 29.841 18.443 16.457 617 HA LYS 78 HA LYS 78 30.405 20.319 14.458 618 HB2 LYS 78 HB2 LYS 78 31.366 20.183 17.323 619 HB3 LYS 78 HB3 LYS 78 31.602 21.578 16.272 620 HG2 LYS 78 HG2 LYS 78 28.857 20.405 16.680 621 HG3 LYS 78 HG3 LYS 78 29.523 21.563 17.830 622 HD2 LYS 78 HD2 LYS 78 29.630 22.216 14.902 623 HD3 LYS 78 HD3 LYS 78 28.100 22.399 15.758 624 HE2 LYS 78 HE2 LYS 78 30.695 23.619 16.728 625 HE3 LYS 78 HE3 LYS 78 29.541 24.479 15.711 626 HZ1 LYS 78 HZ1 LYS 78 29.020 25.032 17.922 627 HZ2 LYS 78 HZ2 LYS 78 29.118 23.419 18.444 628 HZ3 LYS 78 HZ3 LYS 78 27.837 23.916 17.445 629 H GLU 79 H GLU 79 32.554 18.051 16.144 630 HA GLU 79 HA GLU 79 34.969 18.988 14.974 631 HB2 GLU 79 HB2 GLU 79 34.220 16.265 16.063 632 HB3 GLU 79 HB3 GLU 79 35.853 16.733 15.598 633 HG2 GLU 79 HG2 GLU 79 34.163 18.024 17.759 634 HG3 GLU 79 HG3 GLU 79 35.568 16.996 18.011 635 H VAL 80 H VAL 80 32.612 16.518 14.004 636 HA VAL 80 HA VAL 80 34.009 15.618 11.705 637 HB VAL 80 HB VAL 80 31.030 15.638 12.266 638 HG11 VAL 80 HG11 VAL 80 31.213 15.160 9.968 639 HG12 VAL 80 HG12 VAL 80 31.234 13.559 10.706 640 HG13 VAL 80 HG13 VAL 80 32.741 14.305 10.173 641 HG21 VAL 80 HG21 VAL 80 33.228 13.631 12.829 642 HG22 VAL 80 HG22 VAL 80 31.510 13.242 12.911 643 HG23 VAL 80 HG23 VAL 80 32.194 14.439 14.007 644 H ASP 81 H ASP 81 31.675 18.236 12.238 645 HA ASP 81 HA ASP 81 31.177 18.948 9.586 646 HB2 ASP 81 HB2 ASP 81 31.373 20.694 12.049 647 HB3 ASP 81 HB3 ASP 81 30.707 21.220 10.504 648 H ARG 82 H ARG 82 33.813 19.943 11.752 649 HA ARG 82 HA ARG 82 35.066 21.743 9.999 650 HB2 ARG 82 HB2 ARG 82 35.643 21.540 12.391 651 HB3 ARG 82 HB3 ARG 82 36.349 19.958 12.082 652 HG2 ARG 82 HG2 ARG 82 38.190 21.447 12.077 653 HG3 ARG 82 HG3 ARG 82 37.865 21.157 10.372 654 HD2 ARG 82 HD2 ARG 82 38.173 23.522 10.638 655 HD3 ARG 82 HD3 ARG 82 36.454 23.259 10.380 656 HE ARG 82 HE ARG 82 37.272 23.330 13.165 657 HH11 ARG 82 HH11 ARG 82 36.097 25.223 10.451 658 HH12 ARG 82 HH12 ARG 82 35.477 26.480 11.467 659 HH21 ARG 82 HH21 ARG 82 36.453 24.984 14.423 660 HH22 ARG 82 HH22 ARG 82 35.676 26.345 13.687 661 H LYS 83 H LYS 83 35.352 18.218 10.311 662 HA LYS 83 HA LYS 83 37.456 17.860 8.464 663 HB2 LYS 83 HB2 LYS 83 35.147 15.986 9.038 664 HB3 LYS 83 HB3 LYS 83 36.684 15.549 8.297 665 HG2 LYS 83 HG2 LYS 83 36.386 16.711 11.082 666 HG3 LYS 83 HG3 LYS 83 36.605 14.998 10.727 667 HD2 LYS 83 HD2 LYS 83 38.741 15.602 9.524 668 HD3 LYS 83 HD3 LYS 83 38.550 17.244 10.140 669 HE2 LYS 83 HE2 LYS 83 38.529 16.366 12.454 670 HE3 LYS 83 HE3 LYS 83 38.772 14.736 11.826 671 HZ1 LYS 83 HZ1 LYS 83 40.897 15.217 11.137 672 HZ2 LYS 83 HZ2 LYS 83 40.798 16.126 12.569 673 HZ3 LYS 83 HZ3 LYS 83 40.623 16.890 11.062 674 H LEU 84 H LEU 84 33.939 18.031 8.031 675 HA LEU 84 HA LEU 84 33.984 17.470 5.237 676 HB2 LEU 84 HB2 LEU 84 31.907 18.919 6.898 677 HB3 LEU 84 HB3 LEU 84 31.666 18.310 5.260 678 HG LEU 84 HG LEU 84 32.456 16.575 7.618 679 HD11 LEU 84 HD11 LEU 84 30.149 17.600 7.777 680 HD12 LEU 84 HD12 LEU 84 30.158 15.838 7.690 681 HD13 LEU 84 HD13 LEU 84 29.754 16.789 6.261 682 HD21 LEU 84 HD21 LEU 84 33.143 15.427 5.697 683 HD22 LEU 84 HD22 LEU 84 31.848 16.103 4.710 684 HD23 LEU 84 HD23 LEU 84 31.490 14.839 5.886 685 H LEU 85 H LEU 85 33.922 20.495 7.113 686 HA LEU 85 HA LEU 85 33.849 22.217 4.851 687 HB2 LEU 85 HB2 LEU 85 34.863 22.711 7.661 688 HB3 LEU 85 HB3 LEU 85 34.608 23.964 6.448 689 HG LEU 85 HG LEU 85 32.437 22.075 7.399 690 HD11 LEU 85 HD11 LEU 85 32.925 24.970 8.163 691 HD12 LEU 85 HD12 LEU 85 33.259 23.590 9.208 692 HD13 LEU 85 HD13 LEU 85 31.601 23.949 8.724 693 HD21 LEU 85 HD21 LEU 85 31.030 23.975 6.370 694 HD22 LEU 85 HD22 LEU 85 31.876 22.913 5.245 695 HD23 LEU 85 HD23 LEU 85 32.529 24.511 5.610 696 H ASP 86 H ASP 86 36.515 20.932 6.827 697 HA ASP 86 HA ASP 86 38.632 22.172 5.445 698 HB2 ASP 86 HB2 ASP 86 38.488 19.498 6.851 699 HB3 ASP 86 HB3 ASP 86 39.979 20.188 6.225 700 H LEU 87 H LEU 87 36.916 19.118 4.852 701 HA LEU 87 HA LEU 87 38.345 18.278 2.584 702 HB2 LEU 87 HB2 LEU 87 36.664 16.902 3.796 703 HB3 LEU 87 HB3 LEU 87 35.388 17.936 3.157 704 HG LEU 87 HG LEU 87 36.261 17.361 0.830 705 HD11 LEU 87 HD11 LEU 87 37.873 15.470 2.542 706 HD12 LEU 87 HD12 LEU 87 38.430 16.515 1.235 707 HD13 LEU 87 HD13 LEU 87 37.478 15.076 0.870 708 HD21 LEU 87 HD21 LEU 87 35.067 15.230 0.787 709 HD22 LEU 87 HD22 LEU 87 34.234 16.340 1.874 710 HD23 LEU 87 HD23 LEU 87 35.254 15.059 2.532 711 H THR 88 H THR 88 35.503 20.397 2.905 712 HA THR 88 HA THR 88 35.081 20.910 0.180 713 HB THR 88 HB THR 88 34.675 22.844 2.476 714 HG1 THR 88 HG1 THR 88 32.746 21.836 2.676 715 HG21 THR 88 HG21 THR 88 33.360 22.576 -0.243 716 HG22 THR 88 HG22 THR 88 34.467 23.857 0.249 717 HG23 THR 88 HG23 THR 88 32.881 23.721 1.010 718 H ASP 89 H ASP 89 37.176 22.523 2.545 719 HA ASP 89 HA ASP 89 38.182 24.517 0.800 720 HB2 ASP 89 HB2 ASP 89 39.422 23.248 3.253 721 HB3 ASP 89 HB3 ASP 89 40.015 24.706 2.461 722 H ALA 90 H ALA 90 39.259 21.233 1.584 723 HA ALA 90 HA ALA 90 41.711 21.363 0.155 724 HB1 ALA 90 HB1 ALA 90 40.027 18.952 0.877 725 HB2 ALA 90 HB2 ALA 90 41.283 19.671 1.884 726 HB3 ALA 90 HB3 ALA 90 41.710 18.913 0.350 727 H VAL 91 H VAL 91 38.452 20.275 -0.725 728 HA VAL 91 HA VAL 91 39.057 19.202 -3.249 729 HB VAL 91 HB VAL 91 36.548 20.540 -2.203 730 HG11 VAL 91 HG11 VAL 91 36.634 20.456 -4.723 731 HG12 VAL 91 HG12 VAL 91 35.332 19.502 -4.016 732 HG13 VAL 91 HG13 VAL 91 36.790 18.704 -4.601 733 HG21 VAL 91 HG21 VAL 91 37.642 18.307 -1.231 734 HG22 VAL 91 HG22 VAL 91 36.857 17.588 -2.632 735 HG23 VAL 91 HG23 VAL 91 35.900 18.458 -1.435 736 H LEU 92 H LEU 92 38.109 22.507 -2.309 737 HA LEU 92 HA LEU 92 38.348 23.559 -4.963 738 HB2 LEU 92 HB2 LEU 92 36.935 24.571 -3.167 739 HB3 LEU 92 HB3 LEU 92 38.412 25.048 -2.329 740 HG LEU 92 HG LEU 92 39.097 26.243 -4.474 741 HD11 LEU 92 HD11 LEU 92 36.224 25.544 -5.113 742 HD12 LEU 92 HD12 LEU 92 37.658 25.219 -6.086 743 HD13 LEU 92 HD13 LEU 92 37.073 26.873 -5.903 744 HD21 LEU 92 HD21 LEU 92 37.353 28.114 -4.052 745 HD22 LEU 92 HD22 LEU 92 38.371 27.628 -2.697 746 HD23 LEU 92 HD23 LEU 92 36.711 27.044 -2.807 747 H ALA 93 H ALA 93 40.457 23.420 -2.132 748 HA ALA 93 HA ALA 93 42.401 25.248 -3.139 749 HB1 ALA 93 HB1 ALA 93 43.781 24.418 -1.245 750 HB2 ALA 93 HB2 ALA 93 42.554 23.191 -0.929 751 HB3 ALA 93 HB3 ALA 93 42.158 24.901 -0.755 752 H LYS 94 H LYS 94 42.133 21.711 -3.189 753 HA LYS 94 HA LYS 94 44.859 21.454 -4.187 754 HB2 LYS 94 HB2 LYS 94 42.765 19.323 -3.716 755 HB3 LYS 94 HB3 LYS 94 44.475 19.049 -4.043 756 HG2 LYS 94 HG2 LYS 94 43.400 20.577 -1.655 757 HG3 LYS 94 HG3 LYS 94 43.938 18.898 -1.616 758 HD2 LYS 94 HD2 LYS 94 46.181 19.685 -2.465 759 HD3 LYS 94 HD3 LYS 94 45.617 21.342 -2.240 760 HE2 LYS 94 HE2 LYS 94 45.455 19.353 0.013 761 HE3 LYS 94 HE3 LYS 94 46.948 20.236 -0.304 762 HZ1 LYS 94 HZ1 LYS 94 45.210 21.232 1.297 763 HZ2 LYS 94 HZ2 LYS 94 44.390 21.681 -0.121 764 HZ3 LYS 94 HZ3 LYS 94 45.965 22.247 0.169 765 H GLU 95 H GLU 95 45.062 22.109 -6.243 766 HA GLU 95 HA GLU 95 43.159 21.550 -8.302 767 HB2 GLU 95 HB2 GLU 95 46.070 22.364 -8.446 768 HB3 GLU 95 HB3 GLU 95 44.969 22.310 -9.825 769 HG2 GLU 95 HG2 GLU 95 43.467 23.911 -8.653 770 HG3 GLU 95 HG3 GLU 95 44.629 24.011 -7.339 771 H LYS 96 H LYS 96 46.092 19.958 -7.140 772 HA LYS 96 HA LYS 96 45.813 17.882 -9.207 773 HB2 LYS 96 HB2 LYS 96 48.045 18.951 -8.841 774 HB3 LYS 96 HB3 LYS 96 48.049 18.284 -7.207 775 HG2 LYS 96 HG2 LYS 96 47.813 16.001 -8.167 776 HG3 LYS 96 HG3 LYS 96 47.909 16.694 -9.786 777 HD2 LYS 96 HD2 LYS 96 50.139 17.667 -9.174 778 HD3 LYS 96 HD3 LYS 96 50.051 16.794 -7.644 779 HE2 LYS 96 HE2 LYS 96 49.712 15.345 -10.264 780 HE3 LYS 96 HE3 LYS 96 51.318 15.671 -9.612 781 HZ1 LYS 96 HZ1 LYS 96 50.966 13.748 -8.537 782 HZ2 LYS 96 HZ2 LYS 96 49.274 13.841 -8.676 783 HZ3 LYS 96 HZ3 LYS 96 50.078 14.712 -7.458 784 H LYS 97 H LYS 97 45.565 15.711 -8.682 785 HA LYS 97 HA LYS 97 44.140 15.161 -6.249 786 HB2 LYS 97 HB2 LYS 97 45.167 13.322 -8.425 787 HB3 LYS 97 HB3 LYS 97 44.095 12.830 -7.114 788 HG2 LYS 97 HG2 LYS 97 42.445 14.542 -7.867 789 HG3 LYS 97 HG3 LYS 97 43.498 14.914 -9.234 790 HD2 LYS 97 HD2 LYS 97 43.356 12.517 -9.937 791 HD3 LYS 97 HD3 LYS 97 42.188 12.245 -8.642 792 HE2 LYS 97 HE2 LYS 97 40.627 13.799 -9.623 793 HE3 LYS 97 HE3 LYS 97 41.820 14.326 -10.811 794 HZ1 LYS 97 HZ1 LYS 97 41.758 11.658 -11.182 795 HZ2 LYS 97 HZ2 LYS 97 40.887 12.786 -12.106 796 HZ3 LYS 97 HZ3 LYS 97 40.136 11.988 -10.806 797 H GLY 98 H GLY 98 44.799 13.962 -4.477 798 HA2 GLY 98 HA2 GLY 98 47.392 12.699 -4.382 799 HA3 GLY 98 HA3 GLY 98 47.311 14.190 -3.450 800 H GLU 99 H GLU 99 47.893 12.150 -1.964 801 HA GLU 99 HA GLU 99 45.788 10.513 -1.025 802 HB2 GLU 99 HB2 GLU 99 48.352 11.390 0.317 803 HB3 GLU 99 HB3 GLU 99 47.286 10.119 0.918 804 HG2 GLU 99 HG2 GLU 99 47.557 8.908 -1.236 805 HG3 GLU 99 HG3 GLU 99 48.684 10.148 -1.770 806 H ASP 100 H ASP 100 46.657 13.817 -0.267 807 HA ASP 100 HA ASP 100 45.750 14.058 2.344 808 HB2 ASP 100 HB2 ASP 100 45.637 16.056 0.079 809 HB3 ASP 100 HB3 ASP 100 45.335 16.457 1.767 810 H ILE 101 H ILE 101 43.861 14.284 -0.676 811 HA ILE 101 HA ILE 101 41.400 14.912 0.595 812 HB ILE 101 HB ILE 101 41.840 13.486 -2.044 813 HG12 ILE 101 HG12 ILE 101 41.441 16.438 -1.457 814 HG13 ILE 101 HG13 ILE 101 42.995 15.702 -1.848 815 HG21 ILE 101 HG21 ILE 101 39.483 15.122 -1.054 816 HG22 ILE 101 HG22 ILE 101 39.525 13.360 -1.066 817 HG23 ILE 101 HG23 ILE 101 39.595 14.254 -2.585 818 HD11 ILE 101 HD11 ILE 101 41.728 14.789 -3.957 819 HD12 ILE 101 HD12 ILE 101 42.286 16.461 -3.943 820 HD13 ILE 101 HD13 ILE 101 40.592 16.094 -3.615 821 H LEU 102 H LEU 102 42.827 11.829 -0.478 822 HA LEU 102 HA LEU 102 40.619 10.210 0.190 823 HB2 LEU 102 HB2 LEU 102 43.549 9.457 0.083 824 HB3 LEU 102 HB3 LEU 102 42.191 8.335 0.032 825 HG LEU 102 HG LEU 102 42.677 10.536 -1.997 826 HD11 LEU 102 HD11 LEU 102 44.400 8.889 -2.282 827 HD12 LEU 102 HD12 LEU 102 43.171 8.542 -3.499 828 HD13 LEU 102 HD13 LEU 102 43.261 7.565 -2.034 829 HD21 LEU 102 HD21 LEU 102 40.998 8.963 -3.253 830 HD22 LEU 102 HD22 LEU 102 40.373 10.090 -2.049 831 HD23 LEU 102 HD23 LEU 102 40.595 8.390 -1.634 832 H ASN 103 H ASN 103 43.442 11.214 2.082 833 HA ASN 103 HA ASN 103 43.126 9.431 4.228 834 HB2 ASN 103 HB2 ASN 103 44.261 12.234 4.190 835 HB3 ASN 103 HB3 ASN 103 44.431 11.105 5.531 836 HD21 ASN 103 HD21 ASN 103 46.675 12.154 4.010 837 HD22 ASN 103 HD22 ASN 103 47.408 10.842 3.220 838 H MET 104 H MET 104 41.768 12.664 3.686 839 HA MET 104 HA MET 104 40.529 12.851 6.245 840 HB2 MET 104 HB2 MET 104 40.011 14.320 3.656 841 HB3 MET 104 HB3 MET 104 39.261 14.736 5.200 842 HG2 MET 104 HG2 MET 104 41.566 14.953 6.184 843 HG3 MET 104 HG3 MET 104 42.225 14.733 4.564 844 HE1 MET 104 HE1 MET 104 41.412 17.492 2.500 845 HE2 MET 104 HE2 MET 104 39.818 16.796 2.782 846 HE3 MET 104 HE3 MET 104 41.226 15.742 2.669 847 H VAL 105 H VAL 105 39.420 11.718 3.077 848 HA VAL 105 HA VAL 105 36.673 11.588 3.647 849 HB VAL 105 HB VAL 105 38.324 9.836 1.807 850 HG11 VAL 105 HG11 VAL 105 36.149 8.803 2.235 851 HG12 VAL 105 HG12 VAL 105 36.156 9.499 0.615 852 HG13 VAL 105 HG13 VAL 105 35.333 10.336 1.930 853 HG21 VAL 105 HG21 VAL 105 37.994 11.439 0.149 854 HG22 VAL 105 HG22 VAL 105 38.193 12.463 1.568 855 HG23 VAL 105 HG23 VAL 105 36.581 12.128 0.946 856 H ALA 106 H ALA 106 39.276 9.239 4.221 857 HA ALA 106 HA ALA 106 37.638 7.143 5.175 858 HB1 ALA 106 HB1 ALA 106 39.635 6.154 6.003 859 HB2 ALA 106 HB2 ALA 106 40.445 7.716 6.124 860 HB3 ALA 106 HB3 ALA 106 40.103 7.021 4.540 861 H GLU 107 H GLU 107 39.169 9.897 6.807 862 HA GLU 107 HA GLU 107 38.482 9.091 9.444 863 HB2 GLU 107 HB2 GLU 107 39.105 11.831 8.321 864 HB3 GLU 107 HB3 GLU 107 38.974 11.454 10.040 865 HG2 GLU 107 HG2 GLU 107 40.769 9.749 9.770 866 HG3 GLU 107 HG3 GLU 107 40.939 10.225 8.086 867 H ILE 108 H ILE 108 36.901 11.241 7.089 868 HA ILE 108 HA ILE 108 34.800 12.114 8.745 869 HB ILE 108 HB ILE 108 34.822 11.677 5.743 870 HG12 ILE 108 HG12 ILE 108 35.181 14.270 7.246 871 HG13 ILE 108 HG13 ILE 108 36.558 13.241 6.858 872 HG21 ILE 108 HG21 ILE 108 32.532 11.922 6.767 873 HG22 ILE 108 HG22 ILE 108 32.960 13.232 5.667 874 HG23 ILE 108 HG23 ILE 108 33.042 13.482 7.411 875 HD11 ILE 108 HD11 ILE 108 35.904 15.116 5.173 876 HD12 ILE 108 HD12 ILE 108 34.593 14.028 4.717 877 HD13 ILE 108 HD13 ILE 108 36.269 13.511 4.541 878 H LYS 109 H LYS 109 35.003 9.347 6.517 879 HA LYS 109 HA LYS 109 32.442 8.294 7.018 880 HB2 LYS 109 HB2 LYS 109 33.932 7.602 5.148 881 HB3 LYS 109 HB3 LYS 109 34.961 6.771 6.314 882 HG2 LYS 109 HG2 LYS 109 33.009 5.391 7.010 883 HG3 LYS 109 HG3 LYS 109 32.038 6.177 5.765 884 HD2 LYS 109 HD2 LYS 109 33.691 5.393 4.054 885 HD3 LYS 109 HD3 LYS 109 34.518 4.490 5.325 886 HE2 LYS 109 HE2 LYS 109 32.292 3.352 5.800 887 HE3 LYS 109 HE3 LYS 109 31.697 4.082 4.309 888 HZ1 LYS 109 HZ1 LYS 109 33.781 3.052 3.272 889 HZ2 LYS 109 HZ2 LYS 109 32.476 2.025 3.637 890 HZ3 LYS 109 HZ3 LYS 109 33.832 2.077 4.660 891 H ALA 110 H ALA 110 35.540 7.815 8.658 892 HA ALA 110 HA ALA 110 34.710 5.674 10.321 893 HB1 ALA 110 HB1 ALA 110 37.092 6.390 9.802 894 HB2 ALA 110 HB2 ALA 110 36.758 6.001 11.490 895 HB3 ALA 110 HB3 ALA 110 36.862 7.685 10.977 896 H LEU 111 H LEU 111 34.730 9.194 10.775 897 HA LEU 111 HA LEU 111 34.127 9.210 13.523 898 HB2 LEU 111 HB2 LEU 111 33.534 11.224 11.348 899 HB3 LEU 111 HB3 LEU 111 33.246 11.526 13.061 900 HG LEU 111 HG LEU 111 35.942 10.577 12.108 901 HD11 LEU 111 HD11 LEU 111 35.038 12.731 10.918 902 HD12 LEU 111 HD12 LEU 111 36.654 12.758 11.623 903 HD13 LEU 111 HD13 LEU 111 35.302 13.493 12.485 904 HD21 LEU 111 HD21 LEU 111 35.058 10.756 14.587 905 HD22 LEU 111 HD22 LEU 111 35.366 12.477 14.367 906 HD23 LEU 111 HD23 LEU 111 36.683 11.316 14.196 907 H LEU 112 H LEU 112 32.016 9.135 10.673 908 HA LEU 112 HA LEU 112 29.554 9.404 12.010 909 HB2 LEU 112 HB2 LEU 112 30.177 7.803 9.514 910 HB3 LEU 112 HB3 LEU 112 28.574 8.327 10.031 911 HG LEU 112 HG LEU 112 30.876 10.205 9.425 912 HD11 LEU 112 HD11 LEU 112 28.387 9.651 7.786 913 HD12 LEU 112 HD12 LEU 112 29.969 8.954 7.432 914 HD13 LEU 112 HD13 LEU 112 29.735 10.701 7.350 915 HD21 LEU 112 HD21 LEU 112 29.371 11.244 10.969 916 HD22 LEU 112 HD22 LEU 112 27.959 10.591 10.139 917 HD23 LEU 112 HD23 LEU 112 28.920 11.859 9.379 918 H ILE 113 H ILE 113 31.533 6.542 11.316 919 HA ILE 113 HA ILE 113 29.743 4.613 12.347 920 HB ILE 113 HB ILE 113 32.772 4.524 12.281 921 HG12 ILE 113 HG12 ILE 113 30.763 3.474 10.265 922 HG13 ILE 113 HG13 ILE 113 31.644 4.990 10.074 923 HG21 ILE 113 HG21 ILE 113 31.686 2.800 13.723 924 HG22 ILE 113 HG22 ILE 113 32.472 2.096 12.310 925 HG23 ILE 113 HG23 ILE 113 30.719 2.289 12.339 926 HD11 ILE 113 HD11 ILE 113 33.787 3.691 10.309 927 HD12 ILE 113 HD12 ILE 113 32.853 3.277 8.872 928 HD13 ILE 113 HD13 ILE 113 32.830 2.210 10.276 929 H ASN 114 H ASN 114 32.316 6.531 13.863 930 HA ASN 114 HA ASN 114 32.319 5.356 16.396 931 HB2 ASN 114 HB2 ASN 114 33.952 7.060 15.604 932 HB3 ASN 114 HB3 ASN 114 32.700 8.290 15.760 933 HD21 ASN 114 HD21 ASN 114 34.297 5.732 17.746 934 HD22 ASN 114 HD22 ASN 114 34.234 6.619 19.191 935 H ILE 115 H ILE 115 30.277 7.955 15.092 936 HA ILE 115 HA ILE 115 28.818 8.444 17.466 937 HB ILE 115 HB ILE 115 27.904 8.780 14.595 938 HG12 ILE 115 HG12 ILE 115 29.189 10.791 16.467 939 HG13 ILE 115 HG13 ILE 115 30.056 9.946 15.185 940 HG21 ILE 115 HG21 ILE 115 26.997 10.212 17.111 941 HG22 ILE 115 HG22 ILE 115 26.121 8.865 16.386 942 HG23 ILE 115 HG23 ILE 115 26.315 10.373 15.492 943 HD11 ILE 115 HD11 ILE 115 27.758 11.890 14.891 944 HD12 ILE 115 HD12 ILE 115 28.304 10.853 13.573 945 HD13 ILE 115 HD13 ILE 115 29.397 12.054 14.261 946 H TYR 116 H TYR 116 28.333 6.161 14.792 947 HA TYR 116 HA TYR 116 25.797 5.207 15.513 948 HB2 TYR 116 HB2 TYR 116 26.956 4.688 13.387 949 HB3 TYR 116 HB3 TYR 116 28.077 3.667 14.267 950 HD1 TYR 116 HD1 TYR 116 27.557 1.413 14.692 951 HD2 TYR 116 HD2 TYR 116 24.469 4.109 13.441 952 HE1 TYR 116 HE1 TYR 116 26.005 -0.507 14.417 953 HE2 TYR 116 HE2 TYR 116 22.912 2.198 13.165 954 HH TYR 116 HH TYR 116 23.980 -1.071 13.428 955 H LYS 117 H LYS 117 29.037 4.134 16.528 956 HA LYS 117 HA LYS 117 27.990 2.272 18.473 957 HB2 LYS 117 HB2 LYS 117 30.762 3.441 18.128 958 HB3 LYS 117 HB3 LYS 117 30.346 2.147 19.249 959 HG2 LYS 117 HG2 LYS 117 29.939 2.000 16.246 960 HG3 LYS 117 HG3 LYS 117 31.326 1.318 17.096 961 HD2 LYS 117 HD2 LYS 117 29.689 -0.005 18.507 962 HD3 LYS 117 HD3 LYS 117 28.420 0.527 17.405 963 HE2 LYS 117 HE2 LYS 117 30.907 -1.003 16.597 964 HE3 LYS 117 HE3 LYS 117 29.292 -1.691 16.761 965 HZ1 LYS 117 HZ1 LYS 117 29.569 -1.196 14.498 966 HZ2 LYS 117 HZ2 LYS 117 30.214 0.343 14.820 967 HZ3 LYS 117 HZ3 LYS 117 28.572 0.027 15.110 Start of MODEL 4 1 H GLU 1 H GLU 1 -3.147 -9.639 19.291 2 HA GLU 1 HA GLU 1 -2.474 -7.503 20.173 3 HB2 GLU 1 HB2 GLU 1 -2.284 -9.037 22.777 4 HB3 GLU 1 HB3 GLU 1 -1.861 -7.337 22.570 5 HG2 GLU 1 HG2 GLU 1 -4.177 -6.887 21.781 6 HG3 GLU 1 HG3 GLU 1 -4.587 -8.569 22.088 7 H ALA 2 H ALA 2 -0.338 -6.720 20.364 8 HA ALA 2 HA ALA 2 1.815 -8.697 20.599 9 HB1 ALA 2 HB1 ALA 2 2.881 -7.704 18.520 10 HB2 ALA 2 HB2 ALA 2 1.318 -6.963 18.174 11 HB3 ALA 2 HB3 ALA 2 1.467 -8.720 18.235 12 H ALA 3 H ALA 3 3.921 -7.710 20.907 13 HA ALA 3 HA ALA 3 3.906 -5.574 22.721 14 HB1 ALA 3 HB1 ALA 3 5.768 -7.044 22.780 15 HB2 ALA 3 HB2 ALA 3 6.409 -5.502 22.213 16 HB3 ALA 3 HB3 ALA 3 6.106 -6.807 21.066 17 H ALA 4 H ALA 4 4.368 -3.399 22.539 18 HA ALA 4 HA ALA 4 3.560 -2.090 20.168 19 HB1 ALA 4 HB1 ALA 4 5.257 -0.752 22.252 20 HB2 ALA 4 HB2 ALA 4 3.606 -1.243 22.633 21 HB3 ALA 4 HB3 ALA 4 3.906 -0.094 21.328 22 H ALA 5 H ALA 5 4.692 -1.134 18.530 23 HA ALA 5 HA ALA 5 7.272 -2.161 17.902 24 HB1 ALA 5 HB1 ALA 5 5.457 -0.103 16.683 25 HB2 ALA 5 HB2 ALA 5 5.996 -1.645 16.018 26 HB3 ALA 5 HB3 ALA 5 7.111 -0.281 16.098 27 H ALA 6 H ALA 6 9.275 -1.159 17.902 28 HA ALA 6 HA ALA 6 9.626 0.935 19.875 29 HB1 ALA 6 HB1 ALA 6 11.365 -0.569 20.050 30 HB2 ALA 6 HB2 ALA 6 12.102 0.606 18.962 31 HB3 ALA 6 HB3 ALA 6 11.412 -0.882 18.315 32 H ARG 7 H ARG 7 9.209 2.973 19.294 33 HA ARG 7 HA ARG 7 9.087 3.947 16.669 34 HB2 ARG 7 HB2 ARG 7 8.042 5.030 18.660 35 HB3 ARG 7 HB3 ARG 7 9.648 5.553 19.171 36 HG2 ARG 7 HG2 ARG 7 9.932 6.819 17.098 37 HG3 ARG 7 HG3 ARG 7 8.372 6.246 16.509 38 HD2 ARG 7 HD2 ARG 7 8.028 8.454 17.409 39 HD3 ARG 7 HD3 ARG 7 7.309 7.307 18.535 40 HE ARG 7 HE ARG 7 10.056 8.011 19.133 41 HH11 ARG 7 HH11 ARG 7 6.692 8.845 19.693 42 HH12 ARG 7 HH12 ARG 7 7.042 9.687 21.165 43 HH21 ARG 7 HH21 ARG 7 10.445 9.109 21.035 44 HH22 ARG 7 HH22 ARG 7 9.142 9.835 21.913 45 H ASP 8 H ASP 8 11.717 4.072 19.054 46 HA ASP 8 HA ASP 8 13.481 5.630 17.478 47 HB2 ASP 8 HB2 ASP 8 15.218 4.901 19.021 48 HB3 ASP 8 HB3 ASP 8 13.756 5.323 19.908 49 H GLU 9 H GLU 9 12.918 2.148 17.693 50 HA GLU 9 HA GLU 9 15.174 1.280 16.259 51 HB2 GLU 9 HB2 GLU 9 13.618 -0.196 17.543 52 HB3 GLU 9 HB3 GLU 9 12.430 0.006 16.253 53 HG2 GLU 9 HG2 GLU 9 14.095 -0.878 14.625 54 HG3 GLU 9 HG3 GLU 9 15.212 -1.158 15.953 55 H SER 10 H SER 10 11.998 2.398 15.152 56 HA SER 10 HA SER 10 12.270 1.669 12.442 57 HB2 SER 10 HB2 SER 10 10.455 3.195 12.018 58 HB3 SER 10 HB3 SER 10 10.150 2.407 13.562 59 HG SER 10 HG SER 10 10.155 4.349 14.316 60 H ALA 11 H ALA 11 13.270 4.573 14.209 61 HA ALA 11 HA ALA 11 14.127 6.025 11.909 62 HB1 ALA 11 HB1 ALA 11 13.641 7.185 13.988 63 HB2 ALA 11 HB2 ALA 11 15.334 7.438 13.563 64 HB3 ALA 11 HB3 ALA 11 14.905 6.282 14.823 65 H TYR 12 H TYR 12 15.746 3.847 14.183 66 HA TYR 12 HA TYR 12 18.392 4.262 13.343 67 HB2 TYR 12 HB2 TYR 12 17.738 3.027 15.379 68 HB3 TYR 12 HB3 TYR 12 17.127 1.723 14.378 69 HD1 TYR 12 HD1 TYR 12 18.607 0.106 13.396 70 HD2 TYR 12 HD2 TYR 12 20.173 3.526 15.470 71 HE1 TYR 12 HE1 TYR 12 20.865 -0.919 13.383 72 HE2 TYR 12 HE2 TYR 12 22.431 2.501 15.458 73 HH TYR 12 HH TYR 12 23.033 -0.558 13.865 74 H LEU 13 H LEU 13 15.925 1.984 12.182 75 HA LEU 13 HA LEU 13 17.564 0.617 10.333 76 HB2 LEU 13 HB2 LEU 13 14.576 1.111 10.258 77 HB3 LEU 13 HB3 LEU 13 15.440 -0.092 9.299 78 HG LEU 13 HG LEU 13 15.618 -0.037 12.314 79 HD11 LEU 13 HD11 LEU 13 13.568 -1.346 10.517 80 HD12 LEU 13 HD12 LEU 13 13.283 -0.323 11.926 81 HD13 LEU 13 HD13 LEU 13 13.921 -1.956 12.134 82 HD21 LEU 13 HD21 LEU 13 16.243 -2.407 11.959 83 HD22 LEU 13 HD22 LEU 13 17.326 -1.328 11.081 84 HD23 LEU 13 HD23 LEU 13 16.052 -2.192 10.219 85 H LYS 14 H LYS 14 15.546 3.513 10.027 86 HA LYS 14 HA LYS 14 15.762 3.818 7.233 87 HB2 LYS 14 HB2 LYS 14 14.134 5.030 8.684 88 HB3 LYS 14 HB3 LYS 14 15.466 6.012 9.296 89 HG2 LYS 14 HG2 LYS 14 15.968 6.733 6.967 90 HG3 LYS 14 HG3 LYS 14 14.566 5.822 6.406 91 HD2 LYS 14 HD2 LYS 14 13.136 7.185 7.953 92 HD3 LYS 14 HD3 LYS 14 14.553 8.168 8.324 93 HE2 LYS 14 HE2 LYS 14 14.651 9.083 6.181 94 HE3 LYS 14 HE3 LYS 14 13.775 7.735 5.457 95 HZ1 LYS 14 HZ1 LYS 14 12.758 10.162 6.479 96 HZ2 LYS 14 HZ2 LYS 14 12.085 8.861 7.339 97 HZ3 LYS 14 HZ3 LYS 14 11.938 8.931 5.649 98 H LEU 15 H LEU 15 17.781 5.015 9.894 99 HA LEU 15 HA LEU 15 19.440 6.693 8.362 100 HB2 LEU 15 HB2 LEU 15 20.057 5.161 10.899 101 HB3 LEU 15 HB3 LEU 15 21.058 6.452 10.234 102 HG LEU 15 HG LEU 15 18.130 6.902 10.804 103 HD11 LEU 15 HD11 LEU 15 18.815 6.280 12.953 104 HD12 LEU 15 HD12 LEU 15 19.145 8.012 12.960 105 HD13 LEU 15 HD13 LEU 15 20.460 6.865 12.706 106 HD21 LEU 15 HD21 LEU 15 19.682 8.478 9.425 107 HD22 LEU 15 HD22 LEU 15 20.420 8.862 10.978 108 HD23 LEU 15 HD23 LEU 15 18.709 9.191 10.710 109 H GLN 16 H GLN 16 19.674 3.234 9.114 110 HA GLN 16 HA GLN 16 22.210 2.785 7.964 111 HB2 GLN 16 HB2 GLN 16 19.831 0.928 8.216 112 HB3 GLN 16 HB3 GLN 16 21.462 0.418 7.780 113 HG2 GLN 16 HG2 GLN 16 22.291 1.411 9.923 114 HG3 GLN 16 HG3 GLN 16 20.619 1.747 10.370 115 HE21 GLN 16 HE21 GLN 16 19.376 0.018 11.219 116 HE22 GLN 16 HE22 GLN 16 19.964 -1.567 11.374 117 H GLU 17 H GLU 17 18.943 2.703 6.567 118 HA GLU 17 HA GLU 17 19.755 2.000 3.936 119 HB2 GLU 17 HB2 GLU 17 17.408 1.862 4.816 120 HB3 GLU 17 HB3 GLU 17 17.329 3.622 4.737 121 HG2 GLU 17 HG2 GLU 17 17.874 3.510 2.312 122 HG3 GLU 17 HG3 GLU 17 17.855 1.755 2.409 123 H GLN 18 H GLN 18 19.209 5.108 5.558 124 HA GLN 18 HA GLN 18 19.723 6.801 3.373 125 HB2 GLN 18 HB2 GLN 18 18.776 7.503 5.587 126 HB3 GLN 18 HB3 GLN 18 20.394 7.347 6.272 127 HG2 GLN 18 HG2 GLN 18 20.194 9.642 5.692 128 HG3 GLN 18 HG3 GLN 18 21.168 8.928 4.407 129 HE21 GLN 18 HE21 GLN 18 20.478 9.486 2.343 130 HE22 GLN 18 HE22 GLN 18 18.887 9.914 1.930 131 H MET 19 H MET 19 21.902 5.200 5.653 132 HA MET 19 HA MET 19 24.277 6.546 5.102 133 HB2 MET 19 HB2 MET 19 23.874 4.768 6.865 134 HB3 MET 19 HB3 MET 19 24.081 3.572 5.584 135 HG2 MET 19 HG2 MET 19 26.309 4.625 5.064 136 HG3 MET 19 HG3 MET 19 26.108 5.630 6.500 137 HE1 MET 19 HE1 MET 19 26.245 3.666 9.438 138 HE2 MET 19 HE2 MET 19 24.733 3.129 8.710 139 HE3 MET 19 HE3 MET 19 25.249 4.803 8.518 140 H ARG 20 H ARG 20 22.720 3.898 3.332 141 HA ARG 20 HA ARG 20 24.779 3.311 1.522 142 HB2 ARG 20 HB2 ARG 20 21.797 3.309 0.987 143 HB3 ARG 20 HB3 ARG 20 23.022 2.445 0.058 144 HG2 ARG 20 HG2 ARG 20 22.500 1.992 3.009 145 HG3 ARG 20 HG3 ARG 20 21.821 0.999 1.722 146 HD2 ARG 20 HD2 ARG 20 24.153 0.514 0.940 147 HD3 ARG 20 HD3 ARG 20 24.761 1.388 2.342 148 HE ARG 20 HE ARG 20 23.622 -1.262 2.319 149 HH11 ARG 20 HH11 ARG 20 24.216 1.553 4.334 150 HH12 ARG 20 HH12 ARG 20 24.161 0.637 5.803 151 HH21 ARG 20 HH21 ARG 20 23.558 -2.386 4.245 152 HH22 ARG 20 HH22 ARG 20 23.793 -1.565 5.751 153 H LYS 21 H LYS 21 22.286 5.830 1.444 154 HA LYS 21 HA LYS 21 22.846 6.822 -1.139 155 HB2 LYS 21 HB2 LYS 21 20.951 7.363 0.690 156 HB3 LYS 21 HB3 LYS 21 22.018 8.725 1.009 157 HG2 LYS 21 HG2 LYS 21 20.862 7.987 -1.698 158 HG3 LYS 21 HG3 LYS 21 20.304 9.305 -0.669 159 HD2 LYS 21 HD2 LYS 21 22.649 10.259 -0.788 160 HD3 LYS 21 HD3 LYS 21 22.999 9.047 -2.022 161 HE2 LYS 21 HE2 LYS 21 20.820 9.967 -3.157 162 HE3 LYS 21 HE3 LYS 21 21.124 11.388 -2.159 163 HZ1 LYS 21 HZ1 LYS 21 22.202 11.054 -4.547 164 HZ2 LYS 21 HZ2 LYS 21 23.400 10.300 -3.609 165 HZ3 LYS 21 HZ3 LYS 21 22.975 11.917 -3.309 166 H ILE 22 H ILE 22 24.053 7.784 2.075 167 HA ILE 22 HA ILE 22 25.810 9.806 1.167 168 HB ILE 22 HB ILE 22 26.170 8.054 3.606 169 HG12 ILE 22 HG12 ILE 22 23.914 9.027 3.603 170 HG13 ILE 22 HG13 ILE 22 24.913 9.796 4.829 171 HG21 ILE 22 HG21 ILE 22 27.396 10.592 2.614 172 HG22 ILE 22 HG22 ILE 22 28.120 9.269 3.522 173 HG23 ILE 22 HG23 ILE 22 27.111 10.452 4.348 174 HD11 ILE 22 HD11 ILE 22 23.626 11.485 3.617 175 HD12 ILE 22 HD12 ILE 22 24.281 10.917 2.082 176 HD13 ILE 22 HD13 ILE 22 25.342 11.684 3.264 177 H ASP 23 H ASP 23 26.272 6.344 1.776 178 HA ASP 23 HA ASP 23 29.028 6.203 1.271 179 HB2 ASP 23 HB2 ASP 23 27.579 4.382 2.237 180 HB3 ASP 23 HB3 ASP 23 26.987 4.073 0.606 181 H ALA 24 H ALA 24 26.252 6.014 -0.932 182 HA ALA 24 HA ALA 24 27.725 5.377 -3.265 183 HB1 ALA 24 HB1 ALA 24 25.745 5.873 -4.467 184 HB2 ALA 24 HB2 ALA 24 25.181 6.998 -3.233 185 HB3 ALA 24 HB3 ALA 24 25.187 5.265 -2.908 186 H ASP 25 H ASP 25 26.590 8.483 -1.946 187 HA ASP 25 HA ASP 25 27.732 10.123 -3.944 188 HB2 ASP 25 HB2 ASP 25 27.116 10.714 -1.040 189 HB3 ASP 25 HB3 ASP 25 27.528 11.931 -2.247 190 H ALA 26 H ALA 26 28.981 8.922 -0.849 191 HA ALA 26 HA ALA 26 31.449 10.314 -0.921 192 HB1 ALA 26 HB1 ALA 26 30.697 9.356 1.155 193 HB2 ALA 26 HB2 ALA 26 32.188 8.534 0.696 194 HB3 ALA 26 HB3 ALA 26 30.633 7.741 0.445 195 H ALA 27 H ALA 27 30.447 7.130 -2.120 196 HA ALA 27 HA ALA 27 32.997 6.234 -2.938 197 HB1 ALA 27 HB1 ALA 27 31.305 4.593 -2.835 198 HB2 ALA 27 HB2 ALA 27 31.596 4.809 -4.561 199 HB3 ALA 27 HB3 ALA 27 30.191 5.558 -3.803 200 H ALA 28 H ALA 28 30.504 8.137 -4.595 201 HA ALA 28 HA ALA 28 31.764 8.207 -7.131 202 HB1 ALA 28 HB1 ALA 28 29.498 8.851 -7.105 203 HB2 ALA 28 HB2 ALA 28 30.366 10.363 -7.364 204 HB3 ALA 28 HB3 ALA 28 29.740 9.969 -5.763 205 H LEU 29 H LEU 29 31.931 10.351 -4.307 206 HA LEU 29 HA LEU 29 33.593 12.326 -5.444 207 HB2 LEU 29 HB2 LEU 29 32.364 12.590 -3.302 208 HB3 LEU 29 HB3 LEU 29 33.458 11.429 -2.553 209 HG LEU 29 HG LEU 29 35.370 12.972 -3.281 210 HD11 LEU 29 HD11 LEU 29 34.642 15.368 -3.583 211 HD12 LEU 29 HD12 LEU 29 32.988 14.782 -3.764 212 HD13 LEU 29 HD13 LEU 29 34.222 14.314 -4.933 213 HD21 LEU 29 HD21 LEU 29 35.159 14.301 -1.309 214 HD22 LEU 29 HD22 LEU 29 34.313 12.793 -0.958 215 HD23 LEU 29 HD23 LEU 29 33.398 14.243 -1.373 216 H SER 30 H SER 30 34.343 9.326 -3.695 217 HA SER 30 HA SER 30 37.181 9.766 -3.764 218 HB2 SER 30 HB2 SER 30 37.356 7.558 -2.806 219 HB3 SER 30 HB3 SER 30 36.013 8.393 -2.033 220 HG SER 30 HG SER 30 35.356 6.377 -2.688 221 H GLU 31 H GLU 31 34.870 7.979 -5.752 222 HA GLU 31 HA GLU 31 36.788 6.478 -7.212 223 HB2 GLU 31 HB2 GLU 31 34.350 5.941 -7.077 224 HB3 GLU 31 HB3 GLU 31 34.031 7.329 -8.118 225 HG2 GLU 31 HG2 GLU 31 35.537 6.344 -9.839 226 HG3 GLU 31 HG3 GLU 31 35.747 4.932 -8.815 227 H THR 32 H THR 32 35.143 9.560 -7.874 228 HA THR 32 HA THR 32 36.759 9.893 -10.302 229 HB THR 32 HB THR 32 35.250 11.758 -10.807 230 HG1 THR 32 HG1 THR 32 33.627 12.188 -9.372 231 HG21 THR 32 HG21 THR 32 33.228 10.436 -11.138 232 HG22 THR 32 HG22 THR 32 33.750 9.281 -9.912 233 HG23 THR 32 HG23 THR 32 34.642 9.423 -11.427 234 H ARG 33 H ARG 33 36.622 11.072 -7.034 235 HA ARG 33 HA ARG 33 37.784 12.720 -5.926 236 HB2 ARG 33 HB2 ARG 33 39.669 12.333 -8.263 237 HB3 ARG 33 HB3 ARG 33 40.062 13.184 -6.767 238 HG2 ARG 33 HG2 ARG 33 39.527 11.114 -5.487 239 HG3 ARG 33 HG3 ARG 33 39.257 10.272 -7.012 240 HD2 ARG 33 HD2 ARG 33 41.612 10.898 -7.674 241 HD3 ARG 33 HD3 ARG 33 41.846 11.500 -6.034 242 HE ARG 33 HE ARG 33 40.854 8.798 -6.105 243 HH11 ARG 33 HH11 ARG 33 43.785 10.722 -6.283 244 HH12 ARG 33 HH12 ARG 33 44.790 9.421 -5.738 245 HH21 ARG 33 HH21 ARG 33 42.199 7.162 -5.405 246 HH22 ARG 33 HH22 ARG 33 43.902 7.432 -5.247 247 H THR 34 H THR 34 35.675 13.605 -7.492 248 HA THR 34 HA THR 34 36.590 15.934 -8.985 249 HB THR 34 HB THR 34 34.717 14.588 -9.860 250 HG1 THR 34 HG1 THR 34 33.433 16.381 -10.225 251 HG21 THR 34 HG21 THR 34 32.586 14.502 -8.765 252 HG22 THR 34 HG22 THR 34 33.106 15.645 -7.528 253 HG23 THR 34 HG23 THR 34 33.783 14.017 -7.565 254 H ILE 35 H ILE 35 35.392 18.032 -8.565 255 HA ILE 35 HA ILE 35 35.371 18.550 -5.645 256 HB ILE 35 HB ILE 35 36.284 20.771 -6.184 257 HG12 ILE 35 HG12 ILE 35 36.632 19.726 -9.007 258 HG13 ILE 35 HG13 ILE 35 35.301 20.784 -8.539 259 HG21 ILE 35 HG21 ILE 35 37.706 18.229 -6.858 260 HG22 ILE 35 HG22 ILE 35 38.058 19.427 -5.618 261 HG23 ILE 35 HG23 ILE 35 38.508 19.735 -7.291 262 HD11 ILE 35 HD11 ILE 35 38.260 21.409 -8.330 263 HD12 ILE 35 HD12 ILE 35 36.977 22.442 -7.702 264 HD13 ILE 35 HD13 ILE 35 37.100 22.147 -9.436 265 H GLU 36 H GLU 36 33.624 18.928 -8.612 266 HA GLU 36 HA GLU 36 32.215 21.308 -8.049 267 HB2 GLU 36 HB2 GLU 36 32.431 20.239 -10.291 268 HB3 GLU 36 HB3 GLU 36 31.308 18.986 -9.759 269 HG2 GLU 36 HG2 GLU 36 29.623 20.753 -9.269 270 HG3 GLU 36 HG3 GLU 36 30.734 21.958 -9.903 271 H GLU 37 H GLU 37 31.502 17.923 -7.249 272 HA GLU 37 HA GLU 37 28.796 18.646 -6.429 273 HB2 GLU 37 HB2 GLU 37 30.196 15.973 -6.540 274 HB3 GLU 37 HB3 GLU 37 28.505 16.211 -6.096 275 HG2 GLU 37 HG2 GLU 37 28.116 17.316 -8.293 276 HG3 GLU 37 HG3 GLU 37 29.782 16.968 -8.737 277 H LEU 38 H LEU 38 31.489 19.182 -4.811 278 HA LEU 38 HA LEU 38 31.176 17.764 -2.371 279 HB2 LEU 38 HB2 LEU 38 33.239 19.008 -3.086 280 HB3 LEU 38 HB3 LEU 38 32.387 20.511 -2.728 281 HG LEU 38 HG LEU 38 31.928 19.439 -0.402 282 HD11 LEU 38 HD11 LEU 38 32.613 17.189 -0.788 283 HD12 LEU 38 HD12 LEU 38 33.874 17.902 0.219 284 HD13 LEU 38 HD13 LEU 38 34.138 17.701 -1.513 285 HD21 LEU 38 HD21 LEU 38 34.311 20.091 0.327 286 HD22 LEU 38 HD22 LEU 38 33.356 21.329 -0.488 287 HD23 LEU 38 HD23 LEU 38 34.602 20.451 -1.375 288 H ASP 39 H ASP 39 29.808 20.778 -3.594 289 HA ASP 39 HA ASP 39 28.973 21.864 -1.143 290 HB2 ASP 39 HB2 ASP 39 27.526 23.304 -2.469 291 HB3 ASP 39 HB3 ASP 39 29.100 23.146 -3.239 292 H THR 40 H THR 40 27.348 19.588 -3.318 293 HA THR 40 HA THR 40 24.820 19.779 -2.001 294 HB THR 40 HB THR 40 24.827 19.031 -4.272 295 HG1 THR 40 HG1 THR 40 24.274 16.890 -2.586 296 HG21 THR 40 HG21 THR 40 25.833 16.738 -4.792 297 HG22 THR 40 HG22 THR 40 26.712 16.890 -3.272 298 HG23 THR 40 HG23 THR 40 26.976 18.060 -4.566 299 H PHE 41 H PHE 41 27.658 17.763 -1.512 300 HA PHE 41 HA PHE 41 26.457 15.702 -0.023 301 HB2 PHE 41 HB2 PHE 41 28.710 15.498 -0.885 302 HB3 PHE 41 HB3 PHE 41 29.249 16.839 0.104 303 HD1 PHE 41 HD1 PHE 41 27.009 14.051 1.176 304 HD2 PHE 41 HD2 PHE 41 30.933 15.785 1.397 305 HE1 PHE 41 HE1 PHE 41 27.600 12.480 2.996 306 HE2 PHE 41 HE2 PHE 41 31.526 14.205 3.215 307 HZ PHE 41 HZ PHE 41 29.858 12.552 4.015 308 H LYS 42 H LYS 42 27.824 18.816 1.025 309 HA LYS 42 HA LYS 42 27.766 18.350 3.781 310 HB2 LYS 42 HB2 LYS 42 27.374 20.950 2.288 311 HB3 LYS 42 HB3 LYS 42 27.743 20.814 4.008 312 HG2 LYS 42 HG2 LYS 42 29.798 19.468 3.343 313 HG3 LYS 42 HG3 LYS 42 29.481 19.962 1.682 314 HD2 LYS 42 HD2 LYS 42 29.841 21.892 3.989 315 HD3 LYS 42 HD3 LYS 42 31.126 21.436 2.878 316 HE2 LYS 42 HE2 LYS 42 28.709 22.328 1.461 317 HE3 LYS 42 HE3 LYS 42 29.355 23.555 2.546 318 HZ1 LYS 42 HZ1 LYS 42 31.592 22.674 1.428 319 HZ2 LYS 42 HZ2 LYS 42 30.680 23.964 0.802 320 HZ3 LYS 42 HZ3 LYS 42 30.513 22.406 0.147 321 H LEU 43 H LEU 43 25.226 19.536 1.614 322 HA LEU 43 HA LEU 43 23.362 20.217 3.636 323 HB2 LEU 43 HB2 LEU 43 22.844 19.345 0.783 324 HB3 LEU 43 HB3 LEU 43 21.699 20.178 1.834 325 HG LEU 43 HG LEU 43 24.397 21.290 1.009 326 HD11 LEU 43 HD11 LEU 43 22.985 22.874 -0.344 327 HD12 LEU 43 HD12 LEU 43 21.591 21.853 0.009 328 HD13 LEU 43 HD13 LEU 43 22.940 21.210 -0.927 329 HD21 LEU 43 HD21 LEU 43 23.218 23.428 1.868 330 HD22 LEU 43 HD22 LEU 43 23.791 22.282 3.079 331 HD23 LEU 43 HD23 LEU 43 22.082 22.330 2.649 332 H ASP 44 H ASP 44 23.970 17.217 1.855 333 HA ASP 44 HA ASP 44 21.711 15.793 2.775 334 HB2 ASP 44 HB2 ASP 44 24.432 14.800 1.902 335 HB3 ASP 44 HB3 ASP 44 23.025 13.770 2.155 336 H VAL 45 H VAL 45 24.997 16.111 4.069 337 HA VAL 45 HA VAL 45 24.659 14.263 6.198 338 HB VAL 45 HB VAL 45 26.560 16.612 5.985 339 HG11 VAL 45 HG11 VAL 45 26.339 14.265 7.858 340 HG12 VAL 45 HG12 VAL 45 26.659 15.957 8.238 341 HG13 VAL 45 HG13 VAL 45 27.917 14.964 7.498 342 HG21 VAL 45 HG21 VAL 45 28.159 14.844 5.227 343 HG22 VAL 45 HG22 VAL 45 26.818 15.076 4.106 344 HG23 VAL 45 HG23 VAL 45 26.824 13.692 5.199 345 H ALA 46 H ALA 46 24.076 17.750 5.911 346 HA ALA 46 HA ALA 46 23.662 18.341 8.619 347 HB1 ALA 46 HB1 ALA 46 23.768 20.200 7.188 348 HB2 ALA 46 HB2 ALA 46 22.062 20.127 7.633 349 HB3 ALA 46 HB3 ALA 46 22.591 19.519 6.064 350 H ASP 47 H ASP 47 21.380 17.194 6.143 351 HA ASP 47 HA ASP 47 19.116 17.032 7.835 352 HB2 ASP 47 HB2 ASP 47 19.829 15.440 5.361 353 HB3 ASP 47 HB3 ASP 47 18.241 15.457 6.123 354 H PHE 48 H PHE 48 21.700 14.736 7.064 355 HA PHE 48 HA PHE 48 20.660 12.469 8.347 356 HB2 PHE 48 HB2 PHE 48 22.629 12.481 6.844 357 HB3 PHE 48 HB3 PHE 48 23.550 13.310 8.083 358 HD1 PHE 48 HD1 PHE 48 24.046 12.132 10.251 359 HD2 PHE 48 HD2 PHE 48 22.305 10.126 6.876 360 HE1 PHE 48 HE1 PHE 48 24.689 9.944 11.224 361 HE2 PHE 48 HE2 PHE 48 22.943 7.935 7.852 362 HZ PHE 48 HZ PHE 48 24.137 7.844 10.025 363 H VAL 49 H VAL 49 22.745 15.068 9.592 364 HA VAL 49 HA VAL 49 23.113 13.967 12.169 365 HB VAL 49 HB VAL 49 23.225 16.859 11.268 366 HG11 VAL 49 HG11 VAL 49 23.080 16.767 13.689 367 HG12 VAL 49 HG12 VAL 49 24.755 17.099 13.248 368 HG13 VAL 49 HG13 VAL 49 24.281 15.477 13.753 369 HG21 VAL 49 HG21 VAL 49 25.515 16.506 10.820 370 HG22 VAL 49 HG22 VAL 49 24.745 15.062 10.165 371 HG23 VAL 49 HG23 VAL 49 25.551 14.997 11.731 372 H THR 50 H THR 50 20.665 16.155 10.837 373 HA THR 50 HA THR 50 19.483 17.037 13.200 374 HB THR 50 HB THR 50 18.048 16.394 10.615 375 HG1 THR 50 HG1 THR 50 18.661 18.456 10.081 376 HG21 THR 50 HG21 THR 50 17.477 18.388 12.826 377 HG22 THR 50 HG22 THR 50 16.572 16.905 12.521 378 HG23 THR 50 HG23 THR 50 16.547 18.213 11.338 379 H THR 51 H THR 51 18.807 14.102 11.318 380 HA THR 51 HA THR 51 16.702 13.147 12.953 381 HB THR 51 HB THR 51 18.647 11.521 11.298 382 HG1 THR 51 HG1 THR 51 17.653 12.374 9.700 383 HG21 THR 51 HG21 THR 51 16.410 10.166 11.089 384 HG22 THR 51 HG22 THR 51 15.975 11.013 12.574 385 HG23 THR 51 HG23 THR 51 17.404 9.979 12.534 386 H VAL 52 H VAL 52 20.211 12.738 13.084 387 HA VAL 52 HA VAL 52 20.270 10.654 14.984 388 HB VAL 52 HB VAL 52 22.334 12.800 14.412 389 HG11 VAL 52 HG11 VAL 52 22.732 11.638 16.563 390 HG12 VAL 52 HG12 VAL 52 23.944 11.196 15.361 391 HG13 VAL 52 HG13 VAL 52 22.628 10.084 15.736 392 HG21 VAL 52 HG21 VAL 52 23.231 11.342 12.792 393 HG22 VAL 52 HG22 VAL 52 21.495 11.217 12.523 394 HG23 VAL 52 HG23 VAL 52 22.342 9.954 13.415 395 H VAL 53 H VAL 53 20.242 14.191 15.349 396 HA VAL 53 HA VAL 53 20.801 14.299 18.098 397 HB VAL 53 HB VAL 53 19.028 16.164 16.499 398 HG11 VAL 53 HG11 VAL 53 18.701 16.747 18.753 399 HG12 VAL 53 HG12 VAL 53 20.040 17.789 18.273 400 HG13 VAL 53 HG13 VAL 53 20.353 16.323 19.200 401 HG21 VAL 53 HG21 VAL 53 21.314 17.484 16.576 402 HG22 VAL 53 HG22 VAL 53 21.062 16.237 15.356 403 HG23 VAL 53 HG23 VAL 53 22.004 15.876 16.802 404 H GLN 54 H GLN 54 17.679 14.058 16.393 405 HA GLN 54 HA GLN 54 16.045 14.026 18.697 406 HB2 GLN 54 HB2 GLN 54 15.600 12.733 15.995 407 HB3 GLN 54 HB3 GLN 54 14.360 12.962 17.226 408 HG2 GLN 54 HG2 GLN 54 15.942 15.174 15.887 409 HG3 GLN 54 HG3 GLN 54 14.269 14.753 15.531 410 HE21 GLN 54 HE21 GLN 54 15.801 17.161 16.974 411 HE22 GLN 54 HE22 GLN 54 14.796 17.452 18.311 412 H LEU 55 H LEU 55 17.647 11.435 16.893 413 HA LEU 55 HA LEU 55 16.540 9.271 18.354 414 HB2 LEU 55 HB2 LEU 55 17.636 9.077 16.120 415 HB3 LEU 55 HB3 LEU 55 19.191 9.374 16.898 416 HG LEU 55 HG LEU 55 18.677 7.394 18.416 417 HD11 LEU 55 HD11 LEU 55 16.418 7.181 16.422 418 HD12 LEU 55 HD12 LEU 55 16.330 7.131 18.183 419 HD13 LEU 55 HD13 LEU 55 17.018 5.771 17.295 420 HD21 LEU 55 HD21 LEU 55 19.490 5.807 16.813 421 HD22 LEU 55 HD22 LEU 55 20.154 7.370 16.336 422 HD23 LEU 55 HD23 LEU 55 18.773 6.697 15.470 423 H ALA 56 H ALA 56 19.397 11.288 18.844 424 HA ALA 56 HA ALA 56 20.841 9.642 20.571 425 HB1 ALA 56 HB1 ALA 56 21.375 11.996 19.505 426 HB2 ALA 56 HB2 ALA 56 22.154 11.494 21.006 427 HB3 ALA 56 HB3 ALA 56 20.774 12.592 21.053 428 H GLU 57 H GLU 57 18.297 12.010 21.330 429 HA GLU 57 HA GLU 57 18.484 11.730 24.148 430 HB2 GLU 57 HB2 GLU 57 17.380 13.637 22.962 431 HB3 GLU 57 HB3 GLU 57 16.055 12.550 22.544 432 HG2 GLU 57 HG2 GLU 57 15.716 12.078 24.963 433 HG3 GLU 57 HG3 GLU 57 16.979 13.240 25.346 434 H GLU 58 H GLU 58 16.606 10.035 21.684 435 HA GLU 58 HA GLU 58 14.817 8.735 23.455 436 HB2 GLU 58 HB2 GLU 58 15.731 7.972 20.676 437 HB3 GLU 58 HB3 GLU 58 14.375 7.234 21.530 438 HG2 GLU 58 HG2 GLU 58 13.316 9.475 21.730 439 HG3 GLU 58 HG3 GLU 58 14.638 10.162 20.798 440 H LEU 59 H LEU 59 17.975 7.799 22.143 441 HA LEU 59 HA LEU 59 17.883 5.095 22.973 442 HB2 LEU 59 HB2 LEU 59 20.280 6.887 22.511 443 HB3 LEU 59 HB3 LEU 59 20.327 5.129 22.639 444 HG LEU 59 HG LEU 59 18.709 6.641 20.570 445 HD11 LEU 59 HD11 LEU 59 21.051 6.982 20.092 446 HD12 LEU 59 HD12 LEU 59 20.467 5.727 18.999 447 HD13 LEU 59 HD13 LEU 59 21.415 5.289 20.420 448 HD21 LEU 59 HD21 LEU 59 19.222 3.740 21.187 449 HD22 LEU 59 HD22 LEU 59 18.863 4.242 19.534 450 HD23 LEU 59 HD23 LEU 59 17.693 4.539 20.820 451 H GLU 60 H GLU 60 18.962 8.040 24.601 452 HA GLU 60 HA GLU 60 20.317 6.794 26.744 453 HB2 GLU 60 HB2 GLU 60 18.922 9.475 26.585 454 HB3 GLU 60 HB3 GLU 60 19.963 8.975 27.914 455 HG2 GLU 60 HG2 GLU 60 20.775 9.263 25.006 456 HG3 GLU 60 HG3 GLU 60 21.232 10.334 26.325 457 H HIS 61 H HIS 61 16.923 7.700 26.301 458 HA HIS 61 HA HIS 61 16.054 7.277 28.939 459 HB2 HIS 61 HB2 HIS 61 14.585 6.964 26.324 460 HB3 HIS 61 HB3 HIS 61 13.812 6.919 27.898 461 HD1 HIS 61 HD1 HIS 61 14.441 9.231 29.392 462 HD2 HIS 61 HD2 HIS 61 14.543 9.477 25.232 463 HE1 HIS 61 HE1 HIS 61 14.273 11.690 28.816 464 H ARG 62 H ARG 62 16.386 5.034 26.215 465 HA ARG 62 HA ARG 62 15.080 2.827 27.369 466 HB2 ARG 62 HB2 ARG 62 17.416 2.795 25.444 467 HB3 ARG 62 HB3 ARG 62 16.285 1.476 25.731 468 HG2 ARG 62 HG2 ARG 62 15.483 4.211 24.698 469 HG3 ARG 62 HG3 ARG 62 15.761 2.805 23.671 470 HD2 ARG 62 HD2 ARG 62 14.002 1.578 24.966 471 HD3 ARG 62 HD3 ARG 62 13.668 3.066 25.845 472 HE ARG 62 HE ARG 62 13.385 3.902 23.324 473 HH11 ARG 62 HH11 ARG 62 12.145 0.994 24.849 474 HH12 ARG 62 HH12 ARG 62 10.756 0.924 23.815 475 HH21 ARG 62 HH21 ARG 62 11.581 3.761 22.023 476 HH22 ARG 62 HH22 ARG 62 10.441 2.473 22.236 477 H PHE 63 H PHE 63 18.458 3.884 27.530 478 HA PHE 63 HA PHE 63 19.492 1.652 28.902 479 HB2 PHE 63 HB2 PHE 63 20.368 4.539 28.960 480 HB3 PHE 63 HB3 PHE 63 21.299 3.200 29.604 481 HD1 PHE 63 HD1 PHE 63 21.593 5.356 27.154 482 HD2 PHE 63 HD2 PHE 63 20.917 1.131 27.526 483 HE1 PHE 63 HE1 PHE 63 22.596 4.999 24.915 484 HE2 PHE 63 HE2 PHE 63 21.920 0.773 25.287 485 HZ PHE 63 HZ PHE 63 22.760 2.707 23.981 486 H GLY 64 H GLY 64 17.704 4.442 30.062 487 HA2 GLY 64 HA2 GLY 64 16.647 4.541 32.193 488 HA3 GLY 64 HA3 GLY 64 17.801 3.361 32.793 489 H ARG 65 H ARG 65 19.659 5.508 31.112 490 HA ARG 65 HA ARG 65 19.787 7.582 33.163 491 HB2 ARG 65 HB2 ARG 65 22.180 7.252 33.547 492 HB3 ARG 65 HB3 ARG 65 21.285 5.798 33.982 493 HG2 ARG 65 HG2 ARG 65 21.816 4.886 31.687 494 HG3 ARG 65 HG3 ARG 65 22.879 6.274 31.450 495 HD2 ARG 65 HD2 ARG 65 24.125 5.618 33.512 496 HD3 ARG 65 HD3 ARG 65 23.118 4.178 33.625 497 HE ARG 65 HE ARG 65 25.264 4.664 31.723 498 HH11 ARG 65 HH11 ARG 65 22.468 2.684 32.495 499 HH12 ARG 65 HH12 ARG 65 22.983 1.384 31.473 500 HH21 ARG 65 HH21 ARG 65 25.872 2.957 30.423 501 HH22 ARG 65 HH22 ARG 65 24.886 1.537 30.316 502 H ASN 66 H ASN 66 21.070 9.430 32.487 503 HA ASN 66 HA ASN 66 21.107 9.655 29.537 504 HB2 ASN 66 HB2 ASN 66 19.748 11.183 31.389 505 HB3 ASN 66 HB3 ASN 66 21.187 12.153 31.118 506 HD21 ASN 66 HD21 ASN 66 21.515 11.349 28.275 507 HD22 ASN 66 HD22 ASN 66 20.244 12.088 27.427 508 H ARG 67 H ARG 67 23.180 9.024 29.059 509 HA ARG 67 HA ARG 67 25.486 9.749 30.520 510 HB2 ARG 67 HB2 ARG 67 25.172 8.940 27.622 511 HB3 ARG 67 HB3 ARG 67 26.717 9.075 28.461 512 HG2 ARG 67 HG2 ARG 67 25.899 7.419 30.144 513 HG3 ARG 67 HG3 ARG 67 24.431 7.221 29.187 514 HD2 ARG 67 HD2 ARG 67 27.259 6.656 28.253 515 HD3 ARG 67 HD3 ARG 67 26.033 5.452 28.633 516 HE ARG 67 HE ARG 67 24.919 7.110 26.703 517 HH11 ARG 67 HH11 ARG 67 27.692 4.966 26.890 518 HH12 ARG 67 HH12 ARG 67 27.657 4.610 25.195 519 HH21 ARG 67 HH21 ARG 67 24.924 6.614 24.529 520 HH22 ARG 67 HH22 ARG 67 26.108 5.533 23.875 521 H ARG 68 H ARG 68 23.837 11.280 27.787 522 HA ARG 68 HA ARG 68 25.614 13.631 28.112 523 HB2 ARG 68 HB2 ARG 68 24.498 12.576 25.502 524 HB3 ARG 68 HB3 ARG 68 25.534 13.987 25.703 525 HG2 ARG 68 HG2 ARG 68 26.333 11.168 26.477 526 HG3 ARG 68 HG3 ARG 68 26.775 11.941 24.956 527 HD2 ARG 68 HD2 ARG 68 27.862 13.778 26.270 528 HD3 ARG 68 HD3 ARG 68 27.530 12.867 27.740 529 HE ARG 68 HE ARG 68 28.881 11.197 25.910 530 HH11 ARG 68 HH11 ARG 68 29.526 13.975 27.956 531 HH12 ARG 68 HH12 ARG 68 31.209 13.598 28.108 532 HH21 ARG 68 HH21 ARG 68 31.056 10.763 26.141 533 HH22 ARG 68 HH22 ARG 68 32.063 11.802 27.092 534 H GLY 69 H GLY 69 24.644 15.634 27.954 535 HA2 GLY 69 HA2 GLY 69 21.754 15.661 28.312 536 HA3 GLY 69 HA3 GLY 69 22.846 17.030 28.506 537 H ARG 70 H ARG 70 20.577 17.568 27.211 538 HA ARG 70 HA ARG 70 20.514 17.129 24.435 539 HB2 ARG 70 HB2 ARG 70 19.426 19.435 26.061 540 HB3 ARG 70 HB3 ARG 70 19.044 19.140 24.364 541 HG2 ARG 70 HG2 ARG 70 18.205 16.870 24.998 542 HG3 ARG 70 HG3 ARG 70 18.470 17.285 26.692 543 HD2 ARG 70 HD2 ARG 70 16.966 19.273 26.369 544 HD3 ARG 70 HD3 ARG 70 16.605 18.675 24.752 545 HE ARG 70 HE ARG 70 16.155 16.784 26.918 546 HH11 ARG 70 HH11 ARG 70 14.707 19.211 24.836 547 HH12 ARG 70 HH12 ARG 70 13.102 18.601 25.073 548 HH21 ARG 70 HH21 ARG 70 14.068 16.042 27.184 549 HH22 ARG 70 HH22 ARG 70 12.747 16.830 26.386 550 H THR 71 H THR 71 22.184 19.580 26.355 551 HA THR 71 HA THR 71 23.006 21.130 24.076 552 HB THR 71 HB THR 71 24.427 22.322 25.675 553 HG1 THR 71 HG1 THR 71 23.674 20.256 27.376 554 HG21 THR 71 HG21 THR 71 22.644 23.021 27.261 555 HG22 THR 71 HG22 THR 71 21.678 21.636 26.754 556 HG23 THR 71 HG23 THR 71 22.057 22.916 25.601 557 H GLU 72 H GLU 72 24.392 18.483 25.947 558 HA GLU 72 HA GLU 72 27.064 18.794 25.054 559 HB2 GLU 72 HB2 GLU 72 25.617 16.378 26.150 560 HB3 GLU 72 HB3 GLU 72 27.360 16.468 25.891 561 HG2 GLU 72 HG2 GLU 72 27.445 18.460 27.386 562 HG3 GLU 72 HG3 GLU 72 25.727 18.269 27.700 563 H ILE 73 H ILE 73 24.294 17.086 23.694 564 HA ILE 73 HA ILE 73 25.763 15.380 21.984 565 HB ILE 73 HB ILE 73 23.367 15.097 22.636 566 HG12 ILE 73 HG12 ILE 73 22.695 14.372 20.251 567 HG13 ILE 73 HG13 ILE 73 24.282 14.976 19.768 568 HG21 ILE 73 HG21 ILE 73 22.952 17.628 21.843 569 HG22 ILE 73 HG22 ILE 73 21.669 16.420 21.855 570 HG23 ILE 73 HG23 ILE 73 22.506 16.806 20.350 571 HD11 ILE 73 HD11 ILE 73 24.101 12.476 20.424 572 HD12 ILE 73 HD12 ILE 73 23.983 13.066 22.082 573 HD13 ILE 73 HD13 ILE 73 25.422 13.414 21.122 574 H TYR 74 H TYR 74 24.827 18.729 21.648 575 HA TYR 74 HA TYR 74 24.862 18.869 18.829 576 HB2 TYR 74 HB2 TYR 74 24.994 20.868 21.038 577 HB3 TYR 74 HB3 TYR 74 25.319 21.390 19.396 578 HD1 TYR 74 HD1 TYR 74 22.780 19.562 21.461 579 HD2 TYR 74 HD2 TYR 74 23.556 21.941 17.968 580 HE1 TYR 74 HE1 TYR 74 20.343 19.729 21.031 581 HE2 TYR 74 HE2 TYR 74 21.118 22.106 17.539 582 HH TYR 74 HH TYR 74 18.942 20.239 18.672 583 H LYS 75 H LYS 75 27.443 19.533 21.221 584 HA LYS 75 HA LYS 75 29.259 20.476 19.236 585 HB2 LYS 75 HB2 LYS 75 30.937 20.477 20.948 586 HB3 LYS 75 HB3 LYS 75 29.432 21.056 21.650 587 HG2 LYS 75 HG2 LYS 75 29.021 18.763 22.545 588 HG3 LYS 75 HG3 LYS 75 30.601 18.272 21.934 589 HD2 LYS 75 HD2 LYS 75 31.570 20.209 23.284 590 HD3 LYS 75 HD3 LYS 75 29.993 20.330 24.065 591 HE2 LYS 75 HE2 LYS 75 31.409 17.679 23.925 592 HE3 LYS 75 HE3 LYS 75 31.831 18.847 25.178 593 HZ1 LYS 75 HZ1 LYS 75 29.922 17.096 25.520 594 HZ2 LYS 75 HZ2 LYS 75 28.996 18.281 24.729 595 HZ3 LYS 75 HZ3 LYS 75 29.812 18.659 26.170 596 H ILE 76 H ILE 76 28.650 17.302 20.644 597 HA ILE 76 HA ILE 76 30.889 15.961 19.594 598 HB ILE 76 HB ILE 76 28.108 14.852 20.044 599 HG12 ILE 76 HG12 ILE 76 28.935 15.946 22.068 600 HG13 ILE 76 HG13 ILE 76 28.968 14.201 22.273 601 HG21 ILE 76 HG21 ILE 76 29.369 12.720 20.414 602 HG22 ILE 76 HG22 ILE 76 30.834 13.542 19.878 603 HG23 ILE 76 HG23 ILE 76 29.487 13.324 18.761 604 HD11 ILE 76 HD11 ILE 76 31.505 14.810 21.235 605 HD12 ILE 76 HD12 ILE 76 31.119 14.444 22.913 606 HD13 ILE 76 HD13 ILE 76 31.161 16.116 22.366 607 H VAL 77 H VAL 77 27.621 16.423 18.233 608 HA VAL 77 HA VAL 77 28.262 15.147 15.757 609 HB VAL 77 HB VAL 77 26.131 16.048 14.960 610 HG11 VAL 77 HG11 VAL 77 26.005 14.042 16.285 611 HG12 VAL 77 HG12 VAL 77 24.692 15.095 16.810 612 HG13 VAL 77 HG13 VAL 77 26.154 14.957 17.785 613 HG21 VAL 77 HG21 VAL 77 26.377 18.280 16.105 614 HG22 VAL 77 HG22 VAL 77 25.988 17.482 17.628 615 HG23 VAL 77 HG23 VAL 77 24.794 17.535 16.332 616 H LYS 78 H LYS 78 28.551 18.447 16.937 617 HA LYS 78 HA LYS 78 28.858 19.842 14.543 618 HB2 LYS 78 HB2 LYS 78 28.792 20.868 16.809 619 HB3 LYS 78 HB3 LYS 78 30.425 20.270 17.096 620 HG2 LYS 78 HG2 LYS 78 31.211 21.541 15.104 621 HG3 LYS 78 HG3 LYS 78 29.584 22.199 14.913 622 HD2 LYS 78 HD2 LYS 78 29.743 23.117 17.242 623 HD3 LYS 78 HD3 LYS 78 31.425 22.585 17.290 624 HE2 LYS 78 HE2 LYS 78 31.458 24.893 16.632 625 HE3 LYS 78 HE3 LYS 78 31.803 23.950 15.183 626 HZ1 LYS 78 HZ1 LYS 78 30.157 25.673 14.762 627 HZ2 LYS 78 HZ2 LYS 78 29.139 25.014 15.952 628 HZ3 LYS 78 HZ3 LYS 78 29.488 24.129 14.545 629 H GLU 79 H GLU 79 31.181 17.827 16.304 630 HA GLU 79 HA GLU 79 33.495 18.409 14.855 631 HB2 GLU 79 HB2 GLU 79 32.604 15.783 16.069 632 HB3 GLU 79 HB3 GLU 79 34.244 16.133 15.517 633 HG2 GLU 79 HG2 GLU 79 34.327 18.063 17.089 634 HG3 GLU 79 HG3 GLU 79 32.732 17.619 17.682 635 H VAL 80 H VAL 80 30.755 16.343 14.009 636 HA VAL 80 HA VAL 80 31.868 14.942 11.849 637 HB VAL 80 HB VAL 80 29.034 15.983 12.135 638 HG11 VAL 80 HG11 VAL 80 30.129 13.641 10.549 639 HG12 VAL 80 HG12 VAL 80 29.614 15.180 9.857 640 HG13 VAL 80 HG13 VAL 80 28.438 14.132 10.650 641 HG21 VAL 80 HG21 VAL 80 29.835 14.629 14.076 642 HG22 VAL 80 HG22 VAL 80 30.229 13.320 12.961 643 HG23 VAL 80 HG23 VAL 80 28.553 13.824 13.172 644 H ASP 81 H ASP 81 30.232 18.099 11.945 645 HA ASP 81 HA ASP 81 30.582 18.743 9.212 646 HB2 ASP 81 HB2 ASP 81 29.045 19.918 10.809 647 HB3 ASP 81 HB3 ASP 81 30.461 20.671 11.540 648 H ARG 82 H ARG 82 32.623 19.223 12.060 649 HA ARG 82 HA ARG 82 34.494 21.001 11.002 650 HB2 ARG 82 HB2 ARG 82 34.345 20.335 13.391 651 HB3 ARG 82 HB3 ARG 82 34.996 18.754 12.970 652 HG2 ARG 82 HG2 ARG 82 36.867 19.998 13.725 653 HG3 ARG 82 HG3 ARG 82 36.997 20.027 11.969 654 HD2 ARG 82 HD2 ARG 82 35.889 22.250 11.942 655 HD3 ARG 82 HD3 ARG 82 35.822 22.219 13.701 656 HE ARG 82 HE ARG 82 38.113 22.648 13.766 657 HH11 ARG 82 HH11 ARG 82 37.152 21.994 10.453 658 HH12 ARG 82 HH12 ARG 82 38.669 22.519 9.804 659 HH21 ARG 82 HH21 ARG 82 40.045 23.313 12.871 660 HH22 ARG 82 HH22 ARG 82 40.285 23.256 11.157 661 H LYS 83 H LYS 83 34.455 17.440 10.920 662 HA LYS 83 HA LYS 83 36.906 17.124 9.543 663 HB2 LYS 83 HB2 LYS 83 34.470 15.331 9.466 664 HB3 LYS 83 HB3 LYS 83 36.113 14.873 9.023 665 HG2 LYS 83 HG2 LYS 83 35.267 15.827 11.773 666 HG3 LYS 83 HG3 LYS 83 35.511 14.140 11.326 667 HD2 LYS 83 HD2 LYS 83 37.871 14.741 10.663 668 HD3 LYS 83 HD3 LYS 83 37.595 16.339 11.356 669 HE2 LYS 83 HE2 LYS 83 37.136 15.360 13.542 670 HE3 LYS 83 HE3 LYS 83 37.284 13.734 12.873 671 HZ1 LYS 83 HZ1 LYS 83 39.562 14.047 12.464 672 HZ2 LYS 83 HZ2 LYS 83 39.303 14.647 14.033 673 HZ3 LYS 83 HZ3 LYS 83 39.474 15.721 12.728 674 H LEU 84 H LEU 84 33.558 17.439 8.393 675 HA LEU 84 HA LEU 84 34.125 17.208 5.634 676 HB2 LEU 84 HB2 LEU 84 31.917 18.703 7.068 677 HB3 LEU 84 HB3 LEU 84 31.965 18.426 5.327 678 HG LEU 84 HG LEU 84 32.074 16.195 7.376 679 HD11 LEU 84 HD11 LEU 84 29.758 15.920 7.174 680 HD12 LEU 84 HD12 LEU 84 29.679 16.846 5.675 681 HD13 LEU 84 HD13 LEU 84 29.914 17.676 7.213 682 HD21 LEU 84 HD21 LEU 84 32.940 15.338 5.377 683 HD22 LEU 84 HD22 LEU 84 31.934 16.386 4.377 684 HD23 LEU 84 HD23 LEU 84 31.220 14.993 5.190 685 H LEU 85 H LEU 85 34.122 19.993 7.832 686 HA LEU 85 HA LEU 85 34.524 22.024 5.939 687 HB2 LEU 85 HB2 LEU 85 34.029 22.394 8.354 688 HB3 LEU 85 HB3 LEU 85 35.673 21.881 8.737 689 HG LEU 85 HG LEU 85 36.491 23.701 7.163 690 HD11 LEU 85 HD11 LEU 85 33.541 24.360 7.280 691 HD12 LEU 85 HD12 LEU 85 34.549 24.147 5.849 692 HD13 LEU 85 HD13 LEU 85 34.760 25.567 6.872 693 HD21 LEU 85 HD21 LEU 85 35.887 25.552 8.834 694 HD22 LEU 85 HD22 LEU 85 36.667 24.120 9.506 695 HD23 LEU 85 HD23 LEU 85 34.925 24.335 9.673 696 H ASP 86 H ASP 86 36.848 19.929 7.620 697 HA ASP 86 HA ASP 86 39.202 21.041 6.539 698 HB2 ASP 86 HB2 ASP 86 38.601 18.209 7.416 699 HB3 ASP 86 HB3 ASP 86 40.214 18.824 7.058 700 H LEU 87 H LEU 87 37.044 18.488 5.359 701 HA LEU 87 HA LEU 87 38.512 17.702 3.100 702 HB2 LEU 87 HB2 LEU 87 36.497 16.533 3.989 703 HB3 LEU 87 HB3 LEU 87 35.500 17.848 3.370 704 HG LEU 87 HG LEU 87 36.584 17.365 1.082 705 HD11 LEU 87 HD11 LEU 87 37.270 14.808 2.561 706 HD12 LEU 87 HD12 LEU 87 38.433 15.970 1.921 707 HD13 LEU 87 HD13 LEU 87 37.412 15.044 0.821 708 HD21 LEU 87 HD21 LEU 87 34.850 15.877 0.552 709 HD22 LEU 87 HD22 LEU 87 34.248 16.644 2.022 710 HD23 LEU 87 HD23 LEU 87 34.970 15.036 2.098 711 H THR 88 H THR 88 36.207 20.355 3.565 712 HA THR 88 HA THR 88 35.983 21.210 0.910 713 HB THR 88 HB THR 88 35.997 22.952 3.385 714 HG1 THR 88 HG1 THR 88 34.384 21.675 3.777 715 HG21 THR 88 HG21 THR 88 34.223 24.119 1.822 716 HG22 THR 88 HG22 THR 88 35.111 23.294 0.541 717 HG23 THR 88 HG23 THR 88 35.942 24.435 1.597 718 H ASP 89 H ASP 89 38.401 21.990 3.383 719 HA ASP 89 HA ASP 89 39.796 23.975 1.973 720 HB2 ASP 89 HB2 ASP 89 40.813 21.938 3.967 721 HB3 ASP 89 HB3 ASP 89 41.722 23.344 3.420 722 H ALA 90 H ALA 90 40.121 20.443 1.935 723 HA ALA 90 HA ALA 90 42.390 20.372 0.218 724 HB1 ALA 90 HB1 ALA 90 40.252 18.302 0.771 725 HB2 ALA 90 HB2 ALA 90 41.815 18.442 1.574 726 HB3 ALA 90 HB3 ALA 90 41.735 17.991 -0.130 727 H VAL 91 H VAL 91 38.896 20.165 -0.350 728 HA VAL 91 HA VAL 91 39.046 19.730 -3.144 729 HB VAL 91 HB VAL 91 36.839 21.006 -1.503 730 HG11 VAL 91 HG11 VAL 91 36.554 19.598 -4.162 731 HG12 VAL 91 HG12 VAL 91 36.780 21.343 -4.064 732 HG13 VAL 91 HG13 VAL 91 35.370 20.597 -3.325 733 HG21 VAL 91 HG21 VAL 91 36.897 18.176 -2.532 734 HG22 VAL 91 HG22 VAL 91 35.953 18.851 -1.206 735 HG23 VAL 91 HG23 VAL 91 37.681 18.577 -1.004 736 H LEU 92 H LEU 92 38.884 22.684 -1.178 737 HA LEU 92 HA LEU 92 38.873 24.361 -3.554 738 HB2 LEU 92 HB2 LEU 92 39.048 25.138 -0.639 739 HB3 LEU 92 HB3 LEU 92 38.766 26.233 -1.991 740 HG LEU 92 HG LEU 92 36.957 23.914 -1.249 741 HD11 LEU 92 HD11 LEU 92 36.409 26.874 -0.938 742 HD12 LEU 92 HD12 LEU 92 37.061 25.890 0.373 743 HD13 LEU 92 HD13 LEU 92 35.471 25.524 -0.297 744 HD21 LEU 92 HD21 LEU 92 35.409 25.335 -2.799 745 HD22 LEU 92 HD22 LEU 92 36.635 24.313 -3.548 746 HD23 LEU 92 HD23 LEU 92 36.915 26.047 -3.380 747 H ALA 93 H ALA 93 41.344 22.737 -2.056 748 HA ALA 93 HA ALA 93 43.355 24.646 -1.674 749 HB1 ALA 93 HB1 ALA 93 43.663 22.352 -0.961 750 HB2 ALA 93 HB2 ALA 93 44.930 22.757 -2.120 751 HB3 ALA 93 HB3 ALA 93 43.551 21.780 -2.626 752 H LYS 94 H LYS 94 45.011 25.424 -3.025 753 HA LYS 94 HA LYS 94 44.269 26.219 -5.604 754 HB2 LYS 94 HB2 LYS 94 47.080 25.922 -4.519 755 HB3 LYS 94 HB3 LYS 94 46.592 26.915 -5.890 756 HG2 LYS 94 HG2 LYS 94 45.592 27.280 -3.051 757 HG3 LYS 94 HG3 LYS 94 46.857 28.248 -3.806 758 HD2 LYS 94 HD2 LYS 94 45.205 28.864 -5.609 759 HD3 LYS 94 HD3 LYS 94 43.955 28.061 -4.657 760 HE2 LYS 94 HE2 LYS 94 45.701 30.157 -3.391 761 HE3 LYS 94 HE3 LYS 94 44.298 30.628 -4.350 762 HZ1 LYS 94 HZ1 LYS 94 44.359 28.973 -1.898 763 HZ2 LYS 94 HZ2 LYS 94 43.009 29.015 -2.929 764 HZ3 LYS 94 HZ3 LYS 94 43.537 30.433 -2.157 765 H GLU 95 H GLU 95 46.253 23.485 -4.538 766 HA GLU 95 HA GLU 95 46.116 22.387 -7.289 767 HB2 GLU 95 HB2 GLU 95 48.119 21.830 -5.084 768 HB3 GLU 95 HB3 GLU 95 48.093 21.039 -6.661 769 HG2 GLU 95 HG2 GLU 95 48.340 23.264 -7.748 770 HG3 GLU 95 HG3 GLU 95 48.459 24.004 -6.159 771 H LYS 96 H LYS 96 45.423 20.280 -7.559 772 HA LYS 96 HA LYS 96 43.891 19.181 -5.315 773 HB2 LYS 96 HB2 LYS 96 43.978 18.298 -8.212 774 HB3 LYS 96 HB3 LYS 96 42.835 17.754 -6.986 775 HG2 LYS 96 HG2 LYS 96 43.128 20.626 -7.915 776 HG3 LYS 96 HG3 LYS 96 41.876 19.514 -8.469 777 HD2 LYS 96 HD2 LYS 96 41.163 19.229 -6.076 778 HD3 LYS 96 HD3 LYS 96 42.302 20.497 -5.634 779 HE2 LYS 96 HE2 LYS 96 40.380 21.119 -7.835 780 HE3 LYS 96 HE3 LYS 96 39.739 21.027 -6.197 781 HZ1 LYS 96 HZ1 LYS 96 40.437 23.134 -6.075 782 HZ2 LYS 96 HZ2 LYS 96 41.523 22.973 -7.371 783 HZ3 LYS 96 HZ3 LYS 96 41.970 22.453 -5.817 784 H LYS 97 H LYS 97 44.480 17.423 -4.212 785 HA LYS 97 HA LYS 97 46.664 15.738 -5.287 786 HB2 LYS 97 HB2 LYS 97 47.483 17.334 -3.536 787 HB3 LYS 97 HB3 LYS 97 46.371 16.577 -2.394 788 HG2 LYS 97 HG2 LYS 97 47.456 14.383 -2.826 789 HG3 LYS 97 HG3 LYS 97 48.610 15.187 -3.893 790 HD2 LYS 97 HD2 LYS 97 49.264 16.661 -1.963 791 HD3 LYS 97 HD3 LYS 97 48.241 15.666 -0.924 792 HE2 LYS 97 HE2 LYS 97 50.571 14.895 -0.807 793 HE3 LYS 97 HE3 LYS 97 49.555 13.666 -1.561 794 HZ1 LYS 97 HZ1 LYS 97 51.791 14.368 -2.653 795 HZ2 LYS 97 HZ2 LYS 97 50.874 15.664 -3.258 796 HZ3 LYS 97 HZ3 LYS 97 50.431 14.065 -3.619 797 H GLY 98 H GLY 98 46.239 13.637 -5.264 798 HA2 GLY 98 HA2 GLY 98 43.666 12.666 -4.703 799 HA3 GLY 98 HA3 GLY 98 45.082 11.675 -5.021 800 H GLU 99 H GLU 99 46.627 12.613 -2.759 801 HA GLU 99 HA GLU 99 45.836 10.637 -0.918 802 HB2 GLU 99 HB2 GLU 99 47.701 12.991 -0.546 803 HB3 GLU 99 HB3 GLU 99 47.562 11.630 0.566 804 HG2 GLU 99 HG2 GLU 99 48.151 10.087 -1.298 805 HG3 GLU 99 HG3 GLU 99 48.379 11.479 -2.348 806 H ASP 100 H ASP 100 45.285 14.131 -0.964 807 HA ASP 100 HA ASP 100 44.324 14.374 1.682 808 HB2 ASP 100 HB2 ASP 100 43.737 16.031 -0.779 809 HB3 ASP 100 HB3 ASP 100 43.304 16.492 0.866 810 H ILE 101 H ILE 101 42.698 13.613 -1.365 811 HA ILE 101 HA ILE 101 40.049 13.984 -0.443 812 HB ILE 101 HB ILE 101 40.989 12.123 -2.634 813 HG12 ILE 101 HG12 ILE 101 41.885 14.375 -3.013 814 HG13 ILE 101 HG13 ILE 101 40.599 14.028 -4.162 815 HG21 ILE 101 HG21 ILE 101 38.719 12.667 -3.573 816 HG22 ILE 101 HG22 ILE 101 38.344 13.471 -2.049 817 HG23 ILE 101 HG23 ILE 101 38.678 11.740 -2.072 818 HD11 ILE 101 HD11 ILE 101 40.343 16.297 -3.283 819 HD12 ILE 101 HD12 ILE 101 40.335 15.684 -1.631 820 HD13 ILE 101 HD13 ILE 101 39.005 15.297 -2.725 821 H LEU 102 H LEU 102 41.952 10.981 -0.837 822 HA LEU 102 HA LEU 102 39.835 9.288 -0.077 823 HB2 LEU 102 HB2 LEU 102 41.815 8.595 -1.402 824 HB3 LEU 102 HB3 LEU 102 42.819 8.777 0.021 825 HG LEU 102 HG LEU 102 42.087 6.414 -0.624 826 HD11 LEU 102 HD11 LEU 102 42.273 5.702 1.557 827 HD12 LEU 102 HD12 LEU 102 41.247 6.993 2.183 828 HD13 LEU 102 HD13 LEU 102 42.902 7.345 1.684 829 HD21 LEU 102 HD21 LEU 102 39.916 5.630 0.103 830 HD22 LEU 102 HD22 LEU 102 39.680 6.958 -1.034 831 HD23 LEU 102 HD23 LEU 102 39.489 7.236 0.698 832 H ASN 103 H ASN 103 42.488 10.704 1.810 833 HA ASN 103 HA ASN 103 42.146 9.077 4.095 834 HB2 ASN 103 HB2 ASN 103 43.332 11.843 3.813 835 HB3 ASN 103 HB3 ASN 103 43.454 10.847 5.262 836 HD21 ASN 103 HD21 ASN 103 45.742 11.697 3.661 837 HD22 ASN 103 HD22 ASN 103 46.456 10.294 3.027 838 H MET 104 H MET 104 40.865 12.309 3.325 839 HA MET 104 HA MET 104 39.678 12.692 5.889 840 HB2 MET 104 HB2 MET 104 39.098 14.033 3.237 841 HB3 MET 104 HB3 MET 104 38.538 14.605 4.807 842 HG2 MET 104 HG2 MET 104 41.434 14.303 3.960 843 HG3 MET 104 HG3 MET 104 40.556 15.822 4.091 844 HE1 MET 104 HE1 MET 104 39.358 16.557 5.991 845 HE2 MET 104 HE2 MET 104 39.936 16.480 7.653 846 HE3 MET 104 HE3 MET 104 38.847 15.234 7.049 847 H VAL 105 H VAL 105 38.485 11.407 2.828 848 HA VAL 105 HA VAL 105 35.733 11.493 3.449 849 HB VAL 105 HB VAL 105 37.248 9.639 1.593 850 HG11 VAL 105 HG11 VAL 105 34.973 9.530 0.437 851 HG12 VAL 105 HG12 VAL 105 34.291 10.211 1.914 852 HG13 VAL 105 HG13 VAL 105 35.100 8.644 1.957 853 HG21 VAL 105 HG21 VAL 105 37.244 12.262 1.328 854 HG22 VAL 105 HG22 VAL 105 35.594 12.011 0.769 855 HG23 VAL 105 HG23 VAL 105 36.936 11.242 -0.076 856 H ALA 106 H ALA 106 38.227 9.071 4.124 857 HA ALA 106 HA ALA 106 36.488 7.014 4.991 858 HB1 ALA 106 HB1 ALA 106 38.790 6.518 4.450 859 HB2 ALA 106 HB2 ALA 106 38.515 6.124 6.147 860 HB3 ALA 106 HB3 ALA 106 39.365 7.607 5.713 861 H GLU 107 H GLU 107 37.897 9.789 6.660 862 HA GLU 107 HA GLU 107 37.413 8.858 9.298 863 HB2 GLU 107 HB2 GLU 107 37.792 11.664 8.236 864 HB3 GLU 107 HB3 GLU 107 37.788 11.226 9.945 865 HG2 GLU 107 HG2 GLU 107 39.672 9.658 9.517 866 HG3 GLU 107 HG3 GLU 107 39.706 10.187 7.840 867 H ILE 108 H ILE 108 35.548 11.032 7.164 868 HA ILE 108 HA ILE 108 33.615 11.685 9.137 869 HB ILE 108 HB ILE 108 34.037 13.078 7.155 870 HG12 ILE 108 HG12 ILE 108 31.610 13.438 6.546 871 HG13 ILE 108 HG13 ILE 108 31.224 12.007 7.501 872 HG21 ILE 108 HG21 ILE 108 34.363 11.307 5.496 873 HG22 ILE 108 HG22 ILE 108 33.082 12.401 4.977 874 HG23 ILE 108 HG23 ILE 108 32.673 10.825 5.653 875 HD11 ILE 108 HD11 ILE 108 31.848 13.020 9.514 876 HD12 ILE 108 HD12 ILE 108 31.117 14.365 8.637 877 HD13 ILE 108 HD13 ILE 108 32.871 14.209 8.710 878 H LYS 109 H LYS 109 33.828 9.068 6.794 879 HA LYS 109 HA LYS 109 31.111 8.313 6.806 880 HB2 LYS 109 HB2 LYS 109 32.807 7.555 5.145 881 HB3 LYS 109 HB3 LYS 109 33.510 6.522 6.390 882 HG2 LYS 109 HG2 LYS 109 31.315 5.384 6.652 883 HG3 LYS 109 HG3 LYS 109 30.670 6.371 5.340 884 HD2 LYS 109 HD2 LYS 109 32.482 5.473 3.854 885 HD3 LYS 109 HD3 LYS 109 32.946 4.380 5.158 886 HE2 LYS 109 HE2 LYS 109 30.122 4.488 4.086 887 HE3 LYS 109 HE3 LYS 109 31.348 3.427 3.393 888 HZ1 LYS 109 HZ1 LYS 109 29.775 2.816 5.499 889 HZ2 LYS 109 HZ2 LYS 109 31.207 3.317 6.263 890 HZ3 LYS 109 HZ3 LYS 109 31.244 2.053 5.128 891 H ALA 110 H ALA 110 33.849 7.218 8.786 892 HA ALA 110 HA ALA 110 32.318 5.231 10.171 893 HB1 ALA 110 HB1 ALA 110 35.067 6.388 10.473 894 HB2 ALA 110 HB2 ALA 110 34.586 4.731 10.104 895 HB3 ALA 110 HB3 ALA 110 34.396 5.361 11.740 896 H LEU 111 H LEU 111 33.087 8.607 10.780 897 HA LEU 111 HA LEU 111 32.693 8.618 13.569 898 HB2 LEU 111 HB2 LEU 111 33.782 10.436 12.261 899 HB3 LEU 111 HB3 LEU 111 32.193 10.899 11.649 900 HG LEU 111 HG LEU 111 31.442 11.138 14.055 901 HD11 LEU 111 HD11 LEU 111 32.994 9.897 15.311 902 HD12 LEU 111 HD12 LEU 111 33.495 11.563 15.605 903 HD13 LEU 111 HD13 LEU 111 34.374 10.570 14.443 904 HD21 LEU 111 HD21 LEU 111 33.797 12.940 13.528 905 HD22 LEU 111 HD22 LEU 111 32.210 13.352 14.179 906 HD23 LEU 111 HD23 LEU 111 32.392 12.987 12.463 907 H LEU 112 H LEU 112 30.392 8.995 10.900 908 HA LEU 112 HA LEU 112 28.271 10.136 12.301 909 HB2 LEU 112 HB2 LEU 112 28.130 8.143 10.026 910 HB3 LEU 112 HB3 LEU 112 26.820 9.202 10.548 911 HG LEU 112 HG LEU 112 29.524 10.181 9.591 912 HD11 LEU 112 HD11 LEU 112 28.519 9.308 7.652 913 HD12 LEU 112 HD12 LEU 112 27.999 10.993 7.638 914 HD13 LEU 112 HD13 LEU 112 26.895 9.733 8.190 915 HD21 LEU 112 HD21 LEU 112 26.927 11.534 10.358 916 HD22 LEU 112 HD22 LEU 112 28.164 12.343 9.395 917 HD23 LEU 112 HD23 LEU 112 28.532 11.810 11.036 918 H ILE 113 H ILE 113 28.867 6.654 11.727 919 HA ILE 113 HA ILE 113 26.602 5.824 13.222 920 HB ILE 113 HB ILE 113 27.675 4.435 11.491 921 HG12 ILE 113 HG12 ILE 113 27.757 3.058 14.183 922 HG13 ILE 113 HG13 ILE 113 26.253 3.515 13.385 923 HG21 ILE 113 HG21 ILE 113 29.889 4.208 13.547 924 HG22 ILE 113 HG22 ILE 113 30.015 4.863 11.914 925 HG23 ILE 113 HG23 ILE 113 29.721 3.142 12.153 926 HD11 ILE 113 HD11 ILE 113 28.363 1.836 12.019 927 HD12 ILE 113 HD12 ILE 113 26.689 2.087 11.524 928 HD13 ILE 113 HD13 ILE 113 27.048 1.127 12.960 929 H ASN 114 H ASN 114 29.912 6.533 14.146 930 HA ASN 114 HA ASN 114 30.034 5.173 16.588 931 HB2 ASN 114 HB2 ASN 114 31.306 7.790 15.764 932 HB3 ASN 114 HB3 ASN 114 31.738 6.880 17.211 933 HD21 ASN 114 HD21 ASN 114 33.576 7.407 15.015 934 HD22 ASN 114 HD22 ASN 114 33.988 5.908 14.333 935 H ILE 115 H ILE 115 28.542 8.261 15.771 936 HA ILE 115 HA ILE 115 28.300 9.356 18.329 937 HB ILE 115 HB ILE 115 26.321 9.603 16.053 938 HG12 ILE 115 HG12 ILE 115 28.570 10.146 15.269 939 HG13 ILE 115 HG13 ILE 115 27.628 11.621 15.432 940 HG21 ILE 115 HG21 ILE 115 25.419 10.501 18.105 941 HG22 ILE 115 HG22 ILE 115 25.929 11.856 17.097 942 HG23 ILE 115 HG23 ILE 115 26.930 11.342 18.456 943 HD11 ILE 115 HD11 ILE 115 30.086 10.826 16.797 944 HD12 ILE 115 HD12 ILE 115 28.847 11.346 17.935 945 HD13 ILE 115 HD13 ILE 115 29.361 12.422 16.639 946 H TYR 116 H TYR 116 26.182 7.065 16.627 947 HA TYR 116 HA TYR 116 24.646 6.723 19.142 948 HB2 TYR 116 HB2 TYR 116 22.752 6.063 17.760 949 HB3 TYR 116 HB3 TYR 116 23.286 7.688 17.383 950 HD1 TYR 116 HD1 TYR 116 24.378 8.188 15.242 951 HD2 TYR 116 HD2 TYR 116 22.964 4.240 16.170 952 HE1 TYR 116 HE1 TYR 116 24.557 7.562 12.850 953 HE2 TYR 116 HE2 TYR 116 23.144 3.613 13.777 954 HH TYR 116 HH TYR 116 24.407 5.851 11.399 955 H LYS 117 H LYS 117 27.094 5.324 18.531 956 HA LYS 117 HA LYS 117 26.015 2.563 18.458 957 HB2 LYS 117 HB2 LYS 117 27.306 3.118 16.390 958 HB3 LYS 117 HB3 LYS 117 28.713 3.442 17.404 959 HG2 LYS 117 HG2 LYS 117 28.688 1.148 18.241 960 HG3 LYS 117 HG3 LYS 117 27.211 0.808 17.338 961 HD2 LYS 117 HD2 LYS 117 29.050 -0.067 16.052 962 HD3 LYS 117 HD3 LYS 117 28.472 1.379 15.226 963 HE2 LYS 117 HE2 LYS 117 30.954 1.313 15.379 964 HE3 LYS 117 HE3 LYS 117 30.273 2.707 16.215 965 HZ1 LYS 117 HZ1 LYS 117 30.703 1.800 18.267 966 HZ2 LYS 117 HZ2 LYS 117 32.042 1.247 17.380 967 HZ3 LYS 117 HZ3 LYS 117 30.737 0.205 17.690 Start of MODEL 5 1 H GLU 1 H GLU 1 -1.381 -4.689 13.111 2 HA GLU 1 HA GLU 1 -1.401 -4.617 15.448 3 HB2 GLU 1 HB2 GLU 1 1.443 -3.625 15.132 4 HB3 GLU 1 HB3 GLU 1 0.652 -3.960 16.674 5 HG2 GLU 1 HG2 GLU 1 0.269 -6.304 15.934 6 HG3 GLU 1 HG3 GLU 1 1.147 -5.959 14.451 7 H ALA 2 H ALA 2 0.627 -1.876 14.373 8 HA ALA 2 HA ALA 2 -1.250 -0.046 15.704 9 HB1 ALA 2 HB1 ALA 2 0.621 1.636 15.177 10 HB2 ALA 2 HB2 ALA 2 1.593 0.229 14.740 11 HB3 ALA 2 HB3 ALA 2 0.970 0.396 16.382 12 H ALA 3 H ALA 3 -2.467 1.406 14.610 13 HA ALA 3 HA ALA 3 -2.962 1.021 11.849 14 HB1 ALA 3 HB1 ALA 3 -4.585 2.708 12.057 15 HB2 ALA 3 HB2 ALA 3 -3.703 3.525 13.347 16 HB3 ALA 3 HB3 ALA 3 -4.516 1.993 13.667 17 H ALA 4 H ALA 4 -1.096 3.451 13.627 18 HA ALA 4 HA ALA 4 -0.178 4.586 11.053 19 HB1 ALA 4 HB1 ALA 4 0.334 5.924 13.675 20 HB2 ALA 4 HB2 ALA 4 -1.292 5.990 12.996 21 HB3 ALA 4 HB3 ALA 4 0.072 6.635 12.083 22 H ALA 5 H ALA 5 1.996 4.768 10.618 23 HA ALA 5 HA ALA 5 3.737 2.925 11.993 24 HB1 ALA 5 HB1 ALA 5 5.311 3.385 10.275 25 HB2 ALA 5 HB2 ALA 5 4.549 4.927 9.886 26 HB3 ALA 5 HB3 ALA 5 3.733 3.416 9.486 27 H ALA 6 H ALA 6 5.409 3.373 13.353 28 HA ALA 6 HA ALA 6 5.473 6.059 14.508 29 HB1 ALA 6 HB1 ALA 6 7.194 4.718 16.041 30 HB2 ALA 6 HB2 ALA 6 6.342 3.335 15.358 31 HB3 ALA 6 HB3 ALA 6 5.451 4.563 16.256 32 H ARG 7 H ARG 7 6.891 7.513 13.783 33 HA ARG 7 HA ARG 7 8.945 6.908 11.932 34 HB2 ARG 7 HB2 ARG 7 8.598 9.371 13.656 35 HB3 ARG 7 HB3 ARG 7 9.635 9.246 12.237 36 HG2 ARG 7 HG2 ARG 7 6.640 8.792 12.187 37 HG3 ARG 7 HG3 ARG 7 7.411 10.321 11.774 38 HD2 ARG 7 HD2 ARG 7 8.740 9.103 10.023 39 HD3 ARG 7 HD3 ARG 7 7.789 7.664 10.368 40 HE ARG 7 HE ARG 7 5.848 9.414 9.849 41 HH11 ARG 7 HH11 ARG 7 8.840 8.847 8.097 42 HH12 ARG 7 HH12 ARG 7 8.160 9.338 6.583 43 HH21 ARG 7 HH21 ARG 7 5.029 10.028 7.866 44 HH22 ARG 7 HH22 ARG 7 6.032 9.995 6.454 45 H ASP 8 H ASP 8 9.018 7.507 15.434 46 HA ASP 8 HA ASP 8 11.834 7.604 15.662 47 HB2 ASP 8 HB2 ASP 8 11.482 7.291 18.051 48 HB3 ASP 8 HB3 ASP 8 10.306 8.432 17.410 49 H GLU 9 H GLU 9 9.530 4.921 15.878 50 HA GLU 9 HA GLU 9 11.483 2.950 16.563 51 HB2 GLU 9 HB2 GLU 9 8.743 2.680 15.304 52 HB3 GLU 9 HB3 GLU 9 9.708 1.338 15.919 53 HG2 GLU 9 HG2 GLU 9 9.746 2.423 18.154 54 HG3 GLU 9 HG3 GLU 9 8.708 3.699 17.532 55 H SER 10 H SER 10 10.024 4.042 13.526 56 HA SER 10 HA SER 10 11.286 2.117 11.861 57 HB2 SER 10 HB2 SER 10 10.538 3.491 10.021 58 HB3 SER 10 HB3 SER 10 9.268 3.435 11.239 59 HG SER 10 HG SER 10 9.750 5.546 10.503 60 H ALA 11 H ALA 11 12.372 5.184 13.170 61 HA ALA 11 HA ALA 11 14.309 5.861 11.261 62 HB1 ALA 11 HB1 ALA 11 13.742 7.489 12.893 63 HB2 ALA 11 HB2 ALA 11 15.417 7.049 13.222 64 HB3 ALA 11 HB3 ALA 11 14.121 6.396 14.224 65 H TYR 12 H TYR 12 14.561 3.793 14.148 66 HA TYR 12 HA TYR 12 17.345 3.387 14.035 67 HB2 TYR 12 HB2 TYR 12 15.162 1.585 15.085 68 HB3 TYR 12 HB3 TYR 12 16.875 1.340 15.366 69 HD1 TYR 12 HD1 TYR 12 18.165 3.032 16.705 70 HD2 TYR 12 HD2 TYR 12 13.885 3.139 16.355 71 HE1 TYR 12 HE1 TYR 12 18.041 4.520 18.684 72 HE2 TYR 12 HE2 TYR 12 13.760 4.627 18.335 73 HH TYR 12 HH TYR 12 16.276 5.107 20.411 74 H LEU 13 H LEU 13 14.662 1.658 12.507 75 HA LEU 13 HA LEU 13 16.199 -0.507 11.516 76 HB2 LEU 13 HB2 LEU 13 13.608 0.649 10.460 77 HB3 LEU 13 HB3 LEU 13 14.264 -0.940 10.065 78 HG LEU 13 HG LEU 13 13.551 -0.023 12.868 79 HD11 LEU 13 HD11 LEU 13 11.593 -1.420 12.681 80 HD12 LEU 13 HD12 LEU 13 12.100 -2.009 11.099 81 HD13 LEU 13 HD13 LEU 13 11.594 -0.331 11.294 82 HD21 LEU 13 HD21 LEU 13 15.259 -1.707 12.964 83 HD22 LEU 13 HD22 LEU 13 14.489 -2.649 11.687 84 HD23 LEU 13 HD23 LEU 13 13.733 -2.534 13.276 85 H LYS 14 H LYS 14 15.369 2.652 10.154 86 HA LYS 14 HA LYS 14 16.444 2.104 7.565 87 HB2 LYS 14 HB2 LYS 14 15.932 4.764 8.906 88 HB3 LYS 14 HB3 LYS 14 16.231 4.515 7.187 89 HG2 LYS 14 HG2 LYS 14 13.924 3.291 8.726 90 HG3 LYS 14 HG3 LYS 14 13.803 4.734 7.722 91 HD2 LYS 14 HD2 LYS 14 14.656 3.348 5.787 92 HD3 LYS 14 HD3 LYS 14 14.500 1.926 6.820 93 HE2 LYS 14 HE2 LYS 14 12.153 2.145 6.977 94 HE3 LYS 14 HE3 LYS 14 12.185 3.813 6.406 95 HZ1 LYS 14 HZ1 LYS 14 11.658 1.682 4.862 96 HZ2 LYS 14 HZ2 LYS 14 13.319 1.890 4.576 97 HZ3 LYS 14 HZ3 LYS 14 12.237 3.165 4.279 98 H LEU 15 H LEU 15 17.855 3.336 10.549 99 HA LEU 15 HA LEU 15 19.992 4.755 9.444 100 HB2 LEU 15 HB2 LEU 15 19.633 3.388 12.095 101 HB3 LEU 15 HB3 LEU 15 21.123 4.237 11.690 102 HG LEU 15 HG LEU 15 18.410 5.532 11.404 103 HD11 LEU 15 HD11 LEU 15 18.621 6.454 13.586 104 HD12 LEU 15 HD12 LEU 15 20.293 5.911 13.737 105 HD13 LEU 15 HD13 LEU 15 18.977 4.738 13.785 106 HD21 LEU 15 HD21 LEU 15 20.043 6.728 10.181 107 HD22 LEU 15 HD22 LEU 15 21.285 6.444 11.399 108 HD23 LEU 15 HD23 LEU 15 19.971 7.574 11.726 109 H GLN 16 H GLN 16 19.858 1.291 10.332 110 HA GLN 16 HA GLN 16 22.601 0.799 9.930 111 HB2 GLN 16 HB2 GLN 16 22.021 -1.561 9.824 112 HB3 GLN 16 HB3 GLN 16 21.111 -0.775 11.109 113 HG2 GLN 16 HG2 GLN 16 19.183 -0.549 9.516 114 HG3 GLN 16 HG3 GLN 16 20.101 -1.514 8.359 115 HE21 GLN 16 HE21 GLN 16 18.223 -1.665 11.323 116 HE22 GLN 16 HE22 GLN 16 18.279 -3.353 11.488 117 H GLU 17 H GLU 17 19.860 0.604 7.678 118 HA GLU 17 HA GLU 17 21.489 -0.213 5.459 119 HB2 GLU 17 HB2 GLU 17 18.707 0.972 5.560 120 HB3 GLU 17 HB3 GLU 17 19.464 0.299 4.115 121 HG2 GLU 17 HG2 GLU 17 19.743 -1.867 5.319 122 HG3 GLU 17 HG3 GLU 17 18.886 -1.183 6.692 123 H GLN 18 H GLN 18 20.196 2.853 6.635 124 HA GLN 18 HA GLN 18 20.853 4.479 4.448 125 HB2 GLN 18 HB2 GLN 18 19.396 5.112 6.391 126 HB3 GLN 18 HB3 GLN 18 20.860 5.301 7.359 127 HG2 GLN 18 HG2 GLN 18 20.374 7.481 6.539 128 HG3 GLN 18 HG3 GLN 18 21.687 6.886 5.523 129 HE21 GLN 18 HE21 GLN 18 21.323 7.173 3.327 130 HE22 GLN 18 HE22 GLN 18 19.794 7.263 2.595 131 H MET 19 H MET 19 22.796 3.420 7.205 132 HA MET 19 HA MET 19 24.932 5.194 6.969 133 HB2 MET 19 HB2 MET 19 24.339 2.886 8.489 134 HB3 MET 19 HB3 MET 19 25.848 2.501 7.683 135 HG2 MET 19 HG2 MET 19 25.299 4.933 9.413 136 HG3 MET 19 HG3 MET 19 26.303 3.548 9.837 137 HE1 MET 19 HE1 MET 19 28.277 2.782 8.669 138 HE2 MET 19 HE2 MET 19 29.305 3.690 7.564 139 HE3 MET 19 HE3 MET 19 27.811 2.966 6.973 140 H ARG 20 H ARG 20 24.319 2.163 5.254 141 HA ARG 20 HA ARG 20 26.781 1.991 3.894 142 HB2 ARG 20 HB2 ARG 20 24.058 1.078 2.939 143 HB3 ARG 20 HB3 ARG 20 25.614 0.515 2.335 144 HG2 ARG 20 HG2 ARG 20 24.703 0.232 5.212 145 HG3 ARG 20 HG3 ARG 20 24.569 -1.042 4.002 146 HD2 ARG 20 HD2 ARG 20 27.050 -0.898 3.660 147 HD3 ARG 20 HD3 ARG 20 27.126 0.249 4.995 148 HE ARG 20 HE ARG 20 25.812 -2.253 5.636 149 HH11 ARG 20 HH11 ARG 20 28.879 -0.544 5.589 150 HH12 ARG 20 HH12 ARG 20 29.587 -1.579 6.785 151 HH21 ARG 20 HH21 ARG 20 26.778 -3.551 7.172 152 HH22 ARG 20 HH22 ARG 20 28.411 -3.258 7.668 153 H LYS 21 H LYS 21 23.844 3.821 3.182 154 HA LYS 21 HA LYS 21 24.371 4.414 0.491 155 HB2 LYS 21 HB2 LYS 21 22.207 4.832 1.668 156 HB3 LYS 21 HB3 LYS 21 22.965 6.192 2.497 157 HG2 LYS 21 HG2 LYS 21 21.863 7.155 0.626 158 HG3 LYS 21 HG3 LYS 21 23.561 7.075 0.158 159 HD2 LYS 21 HD2 LYS 21 23.153 5.016 -1.100 160 HD3 LYS 21 HD3 LYS 21 21.471 5.000 -0.569 161 HE2 LYS 21 HE2 LYS 21 21.452 5.945 -2.762 162 HE3 LYS 21 HE3 LYS 21 21.250 7.301 -1.653 163 HZ1 LYS 21 HZ1 LYS 21 23.130 8.194 -2.370 164 HZ2 LYS 21 HZ2 LYS 21 23.204 6.999 -3.574 165 HZ3 LYS 21 HZ3 LYS 21 23.998 6.764 -2.091 166 H ILE 22 H ILE 22 25.240 6.215 3.447 167 HA ILE 22 HA ILE 22 26.603 8.311 2.121 168 HB ILE 22 HB ILE 22 27.183 7.238 4.892 169 HG12 ILE 22 HG12 ILE 22 25.581 9.445 5.271 170 HG13 ILE 22 HG13 ILE 22 24.881 8.790 3.799 171 HG21 ILE 22 HG21 ILE 22 28.675 9.032 3.579 172 HG22 ILE 22 HG22 ILE 22 28.340 9.185 5.299 173 HG23 ILE 22 HG23 ILE 22 27.406 10.120 4.135 174 HD11 ILE 22 HD11 ILE 22 24.787 7.765 6.549 175 HD12 ILE 22 HD12 ILE 22 25.177 6.523 5.362 176 HD13 ILE 22 HD13 ILE 22 23.697 7.465 5.199 177 H ASP 23 H ASP 23 27.696 5.167 3.365 178 HA ASP 23 HA ASP 23 30.440 5.458 2.889 179 HB2 ASP 23 HB2 ASP 23 29.406 3.549 4.104 180 HB3 ASP 23 HB3 ASP 23 28.788 2.940 2.571 181 H ALA 24 H ALA 24 27.826 4.429 0.723 182 HA ALA 24 HA ALA 24 29.521 3.903 -1.513 183 HB1 ALA 24 HB1 ALA 24 26.611 4.679 -1.678 184 HB2 ALA 24 HB2 ALA 24 27.120 3.082 -1.128 185 HB3 ALA 24 HB3 ALA 24 27.526 3.626 -2.756 186 H ASP 25 H ASP 25 27.505 6.671 -0.565 187 HA ASP 25 HA ASP 25 28.021 8.283 -2.816 188 HB2 ASP 25 HB2 ASP 25 27.352 9.055 0.030 189 HB3 ASP 25 HB3 ASP 25 27.335 10.167 -1.337 190 H ALA 26 H ALA 26 29.733 7.931 0.264 191 HA ALA 26 HA ALA 26 31.542 10.070 -0.067 192 HB1 ALA 26 HB1 ALA 26 31.610 7.519 1.529 193 HB2 ALA 26 HB2 ALA 26 31.416 9.175 2.102 194 HB3 ALA 26 HB3 ALA 26 32.985 8.623 1.515 195 H ALA 27 H ALA 27 31.677 6.682 -1.092 196 HA ALA 27 HA ALA 27 34.358 6.677 -1.979 197 HB1 ALA 27 HB1 ALA 27 33.329 4.567 -1.728 198 HB2 ALA 27 HB2 ALA 27 33.511 4.768 -3.471 199 HB3 ALA 27 HB3 ALA 27 31.941 5.032 -2.712 200 H ALA 28 H ALA 28 31.332 7.576 -3.587 201 HA ALA 28 HA ALA 28 32.397 7.819 -6.199 202 HB1 ALA 28 HB1 ALA 28 30.026 7.690 -5.964 203 HB2 ALA 28 HB2 ALA 28 30.378 9.310 -6.567 204 HB3 ALA 28 HB3 ALA 28 29.994 9.067 -4.862 205 H LEU 29 H LEU 29 31.992 10.167 -3.560 206 HA LEU 29 HA LEU 29 32.750 12.468 -4.970 207 HB2 LEU 29 HB2 LEU 29 31.742 12.468 -2.697 208 HB3 LEU 29 HB3 LEU 29 33.260 11.850 -2.049 209 HG LEU 29 HG LEU 29 34.398 13.883 -3.064 210 HD11 LEU 29 HD11 LEU 29 32.745 14.547 -4.692 211 HD12 LEU 29 HD12 LEU 29 32.825 15.820 -3.477 212 HD13 LEU 29 HD13 LEU 29 31.495 14.662 -3.453 213 HD21 LEU 29 HD21 LEU 29 33.552 13.584 -0.631 214 HD22 LEU 29 HD22 LEU 29 32.248 14.674 -1.099 215 HD23 LEU 29 HD23 LEU 29 33.923 15.221 -1.173 216 H SER 30 H SER 30 34.708 10.084 -3.213 217 HA SER 30 HA SER 30 37.186 11.409 -3.458 218 HB2 SER 30 HB2 SER 30 36.684 8.426 -3.349 219 HB3 SER 30 HB3 SER 30 38.190 9.251 -2.962 220 HG SER 30 HG SER 30 37.316 9.856 -1.135 221 H GLU 31 H GLU 31 35.509 9.120 -5.582 222 HA GLU 31 HA GLU 31 37.691 8.863 -7.420 223 HB2 GLU 31 HB2 GLU 31 34.749 8.231 -7.725 224 HB3 GLU 31 HB3 GLU 31 35.999 7.786 -8.888 225 HG2 GLU 31 HG2 GLU 31 37.182 6.533 -7.092 226 HG3 GLU 31 HG3 GLU 31 35.868 6.917 -5.988 227 H THR 32 H THR 32 34.727 10.821 -7.346 228 HA THR 32 HA THR 32 35.183 11.892 -9.983 229 HB THR 32 HB THR 32 33.234 13.293 -9.529 230 HG1 THR 32 HG1 THR 32 33.103 12.182 -7.005 231 HG21 THR 32 HG21 THR 32 31.622 11.434 -8.918 232 HG22 THR 32 HG22 THR 32 33.029 10.411 -8.630 233 HG23 THR 32 HG23 THR 32 32.725 11.060 -10.242 234 H ARG 33 H ARG 33 35.707 13.003 -6.665 235 HA ARG 33 HA ARG 33 36.755 14.868 -5.822 236 HB2 ARG 33 HB2 ARG 33 38.200 14.738 -8.483 237 HB3 ARG 33 HB3 ARG 33 38.730 15.650 -7.073 238 HG2 ARG 33 HG2 ARG 33 38.292 12.654 -7.059 239 HG3 ARG 33 HG3 ARG 33 39.859 13.409 -7.342 240 HD2 ARG 33 HD2 ARG 33 39.621 14.584 -5.136 241 HD3 ARG 33 HD3 ARG 33 38.153 13.657 -4.849 242 HE ARG 33 HE ARG 33 39.463 11.828 -4.347 243 HH11 ARG 33 HH11 ARG 33 41.459 14.129 -6.090 244 HH12 ARG 33 HH12 ARG 33 42.914 13.232 -5.808 245 HH21 ARG 33 HH21 ARG 33 41.367 10.719 -4.012 246 HH22 ARG 33 HH22 ARG 33 42.860 11.325 -4.645 247 H THR 34 H THR 34 34.268 15.410 -6.881 248 HA THR 34 HA THR 34 34.666 18.096 -8.065 249 HB THR 34 HB THR 34 33.819 16.564 -9.783 250 HG1 THR 34 HG1 THR 34 32.330 17.959 -10.369 251 HG21 THR 34 HG21 THR 34 32.651 15.094 -7.990 252 HG22 THR 34 HG22 THR 34 31.849 15.299 -9.547 253 HG23 THR 34 HG23 THR 34 31.311 16.230 -8.148 254 H ILE 35 H ILE 35 33.372 19.719 -7.338 255 HA ILE 35 HA ILE 35 32.369 19.487 -4.696 256 HB ILE 35 HB ILE 35 33.350 21.550 -5.619 257 HG12 ILE 35 HG12 ILE 35 30.472 22.026 -4.823 258 HG13 ILE 35 HG13 ILE 35 31.700 21.491 -3.674 259 HG21 ILE 35 HG21 ILE 35 32.058 22.962 -7.133 260 HG22 ILE 35 HG22 ILE 35 30.759 21.770 -7.175 261 HG23 ILE 35 HG23 ILE 35 32.328 21.387 -7.881 262 HD11 ILE 35 HD11 ILE 35 31.572 23.906 -3.557 263 HD12 ILE 35 HD12 ILE 35 31.727 24.042 -5.309 264 HD13 ILE 35 HD13 ILE 35 33.091 23.477 -4.344 265 H GLU 36 H GLU 36 30.819 19.194 -7.827 266 HA GLU 36 HA GLU 36 28.192 19.877 -7.145 267 HB2 GLU 36 HB2 GLU 36 29.177 17.804 -9.119 268 HB3 GLU 36 HB3 GLU 36 27.523 18.411 -9.038 269 HG2 GLU 36 HG2 GLU 36 28.387 20.718 -9.402 270 HG3 GLU 36 HG3 GLU 36 30.009 20.061 -9.575 271 H GLU 37 H GLU 37 29.902 16.781 -6.839 272 HA GLU 37 HA GLU 37 27.676 15.340 -5.791 273 HB2 GLU 37 HB2 GLU 37 30.657 14.866 -5.555 274 HB3 GLU 37 HB3 GLU 37 29.425 13.728 -5.015 275 HG2 GLU 37 HG2 GLU 37 29.828 14.717 -7.853 276 HG3 GLU 37 HG3 GLU 37 30.218 13.112 -7.248 277 H LEU 38 H LEU 38 30.277 17.241 -4.328 278 HA LEU 38 HA LEU 38 29.820 16.491 -1.646 279 HB2 LEU 38 HB2 LEU 38 31.858 17.665 -2.468 280 HB3 LEU 38 HB3 LEU 38 30.896 19.130 -2.667 281 HG LEU 38 HG LEU 38 30.272 18.937 -0.219 282 HD11 LEU 38 HD11 LEU 38 32.359 16.757 -0.412 283 HD12 LEU 38 HD12 LEU 38 30.726 16.640 0.242 284 HD13 LEU 38 HD13 LEU 38 31.961 17.548 1.113 285 HD21 LEU 38 HD21 LEU 38 31.886 20.580 -0.616 286 HD22 LEU 38 HD22 LEU 38 33.066 19.418 -1.222 287 HD23 LEU 38 HD23 LEU 38 32.739 19.523 0.508 288 H ASP 39 H ASP 39 28.433 19.056 -3.660 289 HA ASP 39 HA ASP 39 27.114 20.488 -1.638 290 HB2 ASP 39 HB2 ASP 39 26.337 20.070 -4.533 291 HB3 ASP 39 HB3 ASP 39 25.621 21.275 -3.465 292 H THR 40 H THR 40 25.953 17.805 -3.676 293 HA THR 40 HA THR 40 23.423 17.564 -2.395 294 HB THR 40 HB THR 40 24.982 15.422 -3.858 295 HG1 THR 40 HG1 THR 40 24.725 16.930 -5.319 296 HG21 THR 40 HG21 THR 40 22.058 15.815 -3.183 297 HG22 THR 40 HG22 THR 40 23.101 14.476 -2.704 298 HG23 THR 40 HG23 THR 40 22.622 14.660 -4.390 299 H PHE 41 H PHE 41 26.590 16.131 -1.802 300 HA PHE 41 HA PHE 41 25.878 14.064 -0.075 301 HB2 PHE 41 HB2 PHE 41 28.103 14.281 -0.981 302 HB3 PHE 41 HB3 PHE 41 28.338 15.808 -0.157 303 HD1 PHE 41 HD1 PHE 41 27.314 12.301 0.782 304 HD2 PHE 41 HD2 PHE 41 29.746 15.731 1.651 305 HE1 PHE 41 HE1 PHE 41 28.301 11.113 2.726 306 HE2 PHE 41 HE2 PHE 41 30.737 14.542 3.583 307 HZ PHE 41 HZ PHE 41 30.010 12.242 4.132 308 H LYS 42 H LYS 42 26.618 17.474 0.714 309 HA LYS 42 HA LYS 42 26.584 17.200 3.496 310 HB2 LYS 42 HB2 LYS 42 25.801 19.589 1.814 311 HB3 LYS 42 HB3 LYS 42 26.104 19.634 3.552 312 HG2 LYS 42 HG2 LYS 42 28.393 18.641 3.064 313 HG3 LYS 42 HG3 LYS 42 28.069 18.948 1.357 314 HD2 LYS 42 HD2 LYS 42 27.978 21.071 3.518 315 HD3 LYS 42 HD3 LYS 42 29.355 20.795 2.451 316 HE2 LYS 42 HE2 LYS 42 27.659 21.069 0.516 317 HE3 LYS 42 HE3 LYS 42 26.596 21.778 1.732 318 HZ1 LYS 42 HZ1 LYS 42 28.549 23.083 0.348 319 HZ2 LYS 42 HZ2 LYS 42 29.256 22.816 1.869 320 HZ3 LYS 42 HZ3 LYS 42 27.777 23.643 1.750 321 H LEU 43 H LEU 43 23.915 17.698 1.228 322 HA LEU 43 HA LEU 43 21.900 18.276 3.100 323 HB2 LEU 43 HB2 LEU 43 21.658 16.792 0.470 324 HB3 LEU 43 HB3 LEU 43 20.333 17.547 1.356 325 HG LEU 43 HG LEU 43 22.765 19.036 0.324 326 HD11 LEU 43 HD11 LEU 43 21.388 18.228 -1.538 327 HD12 LEU 43 HD12 LEU 43 21.178 19.969 -1.347 328 HD13 LEU 43 HD13 LEU 43 19.937 18.861 -0.761 329 HD21 LEU 43 HD21 LEU 43 21.174 20.999 0.772 330 HD22 LEU 43 HD22 LEU 43 21.842 20.200 2.195 331 HD23 LEU 43 HD23 LEU 43 20.190 19.856 1.684 332 H ASP 44 H ASP 44 23.070 15.173 1.831 333 HA ASP 44 HA ASP 44 21.177 13.571 3.233 334 HB2 ASP 44 HB2 ASP 44 23.894 12.882 2.093 335 HB3 ASP 44 HB3 ASP 44 22.720 11.705 2.679 336 H VAL 45 H VAL 45 24.460 14.671 3.962 337 HA VAL 45 HA VAL 45 24.878 13.075 6.253 338 HB VAL 45 HB VAL 45 26.034 15.792 5.570 339 HG11 VAL 45 HG11 VAL 45 26.500 15.400 7.876 340 HG12 VAL 45 HG12 VAL 45 27.951 14.888 7.015 341 HG13 VAL 45 HG13 VAL 45 26.801 13.684 7.600 342 HG21 VAL 45 HG21 VAL 45 26.322 13.792 3.939 343 HG22 VAL 45 HG22 VAL 45 27.344 13.100 5.198 344 HG23 VAL 45 HG23 VAL 45 27.775 14.643 4.461 345 H ALA 46 H ALA 46 23.425 16.281 5.824 346 HA ALA 46 HA ALA 46 23.271 17.035 8.516 347 HB1 ALA 46 HB1 ALA 46 21.552 17.698 6.125 348 HB2 ALA 46 HB2 ALA 46 22.794 18.692 6.887 349 HB3 ALA 46 HB3 ALA 46 21.264 18.406 7.715 350 H ASP 47 H ASP 47 21.020 15.144 6.527 351 HA ASP 47 HA ASP 47 18.985 14.868 8.464 352 HB2 ASP 47 HB2 ASP 47 19.780 13.034 6.191 353 HB3 ASP 47 HB3 ASP 47 18.283 12.904 7.112 354 H PHE 48 H PHE 48 21.883 12.943 7.786 355 HA PHE 48 HA PHE 48 21.317 10.788 9.509 356 HB2 PHE 48 HB2 PHE 48 23.090 10.771 7.794 357 HB3 PHE 48 HB3 PHE 48 24.004 11.929 8.739 358 HD1 PHE 48 HD1 PHE 48 25.309 11.242 10.626 359 HD2 PHE 48 HD2 PHE 48 22.722 8.449 8.640 360 HE1 PHE 48 HE1 PHE 48 26.368 9.378 11.871 361 HE2 PHE 48 HE2 PHE 48 23.785 6.583 9.881 362 HZ PHE 48 HZ PHE 48 25.610 7.047 11.497 363 H VAL 49 H VAL 49 23.103 13.815 10.072 364 HA VAL 49 HA VAL 49 23.825 13.237 12.749 365 HB VAL 49 HB VAL 49 23.423 15.936 11.427 366 HG11 VAL 49 HG11 VAL 49 25.233 16.535 13.174 367 HG12 VAL 49 HG12 VAL 49 24.752 15.045 13.986 368 HG13 VAL 49 HG13 VAL 49 23.579 16.341 13.752 369 HG21 VAL 49 HG21 VAL 49 25.723 13.987 11.519 370 HG22 VAL 49 HG22 VAL 49 26.005 15.715 11.297 371 HG23 VAL 49 HG23 VAL 49 25.041 14.820 10.122 372 H THR 50 H THR 50 21.097 15.047 11.351 373 HA THR 50 HA THR 50 19.934 15.850 13.788 374 HB THR 50 HB THR 50 18.526 15.256 11.173 375 HG1 THR 50 HG1 THR 50 20.358 16.800 11.292 376 HG21 THR 50 HG21 THR 50 16.852 15.592 12.788 377 HG22 THR 50 HG22 THR 50 17.089 17.208 12.123 378 HG23 THR 50 HG23 THR 50 17.812 16.777 13.673 379 H THR 51 H THR 51 19.491 12.946 11.810 380 HA THR 51 HA THR 51 17.316 11.901 13.318 381 HB THR 51 HB THR 51 19.278 10.392 11.580 382 HG1 THR 51 HG1 THR 51 17.806 10.889 9.984 383 HG21 THR 51 HG21 THR 51 16.416 9.842 12.417 384 HG22 THR 51 HG22 THR 51 17.844 8.960 12.959 385 HG23 THR 51 HG23 THR 51 17.342 8.873 11.270 386 H VAL 52 H VAL 52 20.823 11.269 13.382 387 HA VAL 52 HA VAL 52 20.546 9.161 15.310 388 HB VAL 52 HB VAL 52 22.342 9.181 13.627 389 HG11 VAL 52 HG11 VAL 52 22.662 11.770 14.014 390 HG12 VAL 52 HG12 VAL 52 24.035 10.766 13.550 391 HG13 VAL 52 HG13 VAL 52 23.816 11.236 15.235 392 HG21 VAL 52 HG21 VAL 52 23.365 9.320 16.479 393 HG22 VAL 52 HG22 VAL 52 24.136 8.474 15.136 394 HG23 VAL 52 HG23 VAL 52 22.579 7.918 15.753 395 H VAL 53 H VAL 53 21.573 12.560 15.486 396 HA VAL 53 HA VAL 53 22.500 12.434 18.161 397 HB VAL 53 HB VAL 53 21.466 14.812 16.588 398 HG11 VAL 53 HG11 VAL 53 21.513 15.497 18.862 399 HG12 VAL 53 HG12 VAL 53 23.064 16.026 18.209 400 HG13 VAL 53 HG13 VAL 53 22.974 14.568 19.196 401 HG21 VAL 53 HG21 VAL 53 23.690 15.155 15.874 402 HG22 VAL 53 HG22 VAL 53 23.476 13.413 15.715 403 HG23 VAL 53 HG23 VAL 53 24.345 14.070 17.100 404 H GLN 54 H GLN 54 19.347 13.232 16.747 405 HA GLN 54 HA GLN 54 18.113 14.226 19.059 406 HB2 GLN 54 HB2 GLN 54 17.290 14.150 16.581 407 HB3 GLN 54 HB3 GLN 54 16.593 12.599 17.047 408 HG2 GLN 54 HG2 GLN 54 14.859 14.119 17.506 409 HG3 GLN 54 HG3 GLN 54 15.621 13.893 19.080 410 HE21 GLN 54 HE21 GLN 54 16.117 15.821 20.141 411 HE22 GLN 54 HE22 GLN 54 16.389 17.309 19.370 412 H LEU 55 H LEU 55 18.420 10.909 17.845 413 HA LEU 55 HA LEU 55 16.736 9.686 19.773 414 HB2 LEU 55 HB2 LEU 55 19.056 8.522 18.212 415 HB3 LEU 55 HB3 LEU 55 17.842 7.589 19.087 416 HG LEU 55 HG LEU 55 17.190 9.536 16.860 417 HD11 LEU 55 HD11 LEU 55 18.514 7.598 16.046 418 HD12 LEU 55 HD12 LEU 55 16.850 7.540 15.465 419 HD13 LEU 55 HD13 LEU 55 17.353 6.505 16.801 420 HD21 LEU 55 HD21 LEU 55 15.609 7.507 18.450 421 HD22 LEU 55 HD22 LEU 55 15.030 8.173 16.924 422 HD23 LEU 55 HD23 LEU 55 15.304 9.238 18.304 423 H ALA 56 H ALA 56 20.207 10.368 19.699 424 HA ALA 56 HA ALA 56 20.976 8.887 21.966 425 HB1 ALA 56 HB1 ALA 56 22.176 11.491 21.013 426 HB2 ALA 56 HB2 ALA 56 22.518 9.921 20.286 427 HB3 ALA 56 HB3 ALA 56 22.969 10.234 21.961 428 H GLU 57 H GLU 57 19.685 12.157 21.630 429 HA GLU 57 HA GLU 57 20.283 12.934 24.320 430 HB2 GLU 57 HB2 GLU 57 18.476 14.152 22.226 431 HB3 GLU 57 HB3 GLU 57 18.858 14.906 23.770 432 HG2 GLU 57 HG2 GLU 57 20.839 14.176 21.595 433 HG3 GLU 57 HG3 GLU 57 20.315 15.800 22.019 434 H GLU 58 H GLU 58 17.337 11.734 22.700 435 HA GLU 58 HA GLU 58 15.851 12.201 25.205 436 HB2 GLU 58 HB2 GLU 58 14.987 13.218 23.115 437 HB3 GLU 58 HB3 GLU 58 14.766 11.597 22.452 438 HG2 GLU 58 HG2 GLU 58 13.295 11.045 24.387 439 HG3 GLU 58 HG3 GLU 58 13.457 12.702 24.952 440 H LEU 59 H LEU 59 15.385 9.709 22.652 441 HA LEU 59 HA LEU 59 14.029 8.018 24.434 442 HB2 LEU 59 HB2 LEU 59 15.451 7.275 21.866 443 HB3 LEU 59 HB3 LEU 59 14.223 6.309 22.683 444 HG LEU 59 HG LEU 59 13.784 9.119 21.630 445 HD11 LEU 59 HD11 LEU 59 12.222 7.746 20.053 446 HD12 LEU 59 HD12 LEU 59 13.252 6.383 20.490 447 HD13 LEU 59 HD13 LEU 59 13.948 7.795 19.696 448 HD21 LEU 59 HD21 LEU 59 11.356 8.419 21.989 449 HD22 LEU 59 HD22 LEU 59 12.288 8.689 23.461 450 HD23 LEU 59 HD23 LEU 59 11.978 7.045 22.901 451 H GLU 60 H GLU 60 17.407 7.923 23.332 452 HA GLU 60 HA GLU 60 18.059 5.519 24.703 453 HB2 GLU 60 HB2 GLU 60 19.831 7.775 23.738 454 HB3 GLU 60 HB3 GLU 60 20.402 6.196 24.280 455 HG2 GLU 60 HG2 GLU 60 18.481 6.656 21.983 456 HG3 GLU 60 HG3 GLU 60 20.196 6.309 21.809 457 H HIS 61 H HIS 61 18.131 8.917 25.630 458 HA HIS 61 HA HIS 61 19.821 8.678 27.876 459 HB2 HIS 61 HB2 HIS 61 19.284 10.815 26.808 460 HB3 HIS 61 HB3 HIS 61 17.618 10.670 27.337 461 HD1 HIS 61 HD1 HIS 61 17.076 11.626 29.592 462 HD2 HIS 61 HD2 HIS 61 21.177 11.091 29.072 463 HE1 HIS 61 HE1 HIS 61 18.193 12.662 31.613 464 H ARG 62 H ARG 62 16.273 8.441 27.594 465 HA ARG 62 HA ARG 62 15.666 8.643 30.315 466 HB2 ARG 62 HB2 ARG 62 14.222 6.986 28.235 467 HB3 ARG 62 HB3 ARG 62 13.557 7.534 29.772 468 HG2 ARG 62 HG2 ARG 62 14.581 9.399 27.614 469 HG3 ARG 62 HG3 ARG 62 12.889 8.958 27.806 470 HD2 ARG 62 HD2 ARG 62 12.979 9.845 30.147 471 HD3 ARG 62 HD3 ARG 62 14.622 10.393 29.836 472 HE ARG 62 HE ARG 62 13.726 12.194 28.727 473 HH11 ARG 62 HH11 ARG 62 11.308 9.646 28.707 474 HH12 ARG 62 HH12 ARG 62 10.134 10.632 27.901 475 HH21 ARG 62 HH21 ARG 62 12.170 13.414 27.695 476 HH22 ARG 62 HH22 ARG 62 10.616 12.738 27.338 477 H PHE 63 H PHE 63 16.079 5.657 28.388 478 HA PHE 63 HA PHE 63 15.988 3.962 30.690 479 HB2 PHE 63 HB2 PHE 63 16.892 3.487 27.856 480 HB3 PHE 63 HB3 PHE 63 16.871 2.234 29.084 481 HD1 PHE 63 HD1 PHE 63 14.943 4.078 26.657 482 HD2 PHE 63 HD2 PHE 63 14.646 1.654 30.191 483 HE1 PHE 63 HE1 PHE 63 12.550 3.650 26.164 484 HE2 PHE 63 HE2 PHE 63 12.254 1.226 29.698 485 HZ PHE 63 HZ PHE 63 11.206 2.224 27.685 486 H GLY 64 H GLY 64 18.582 5.514 28.883 487 HA2 GLY 64 HA2 GLY 64 20.729 5.978 29.726 488 HA3 GLY 64 HA3 GLY 64 20.471 4.789 30.992 489 H ARG 65 H ARG 65 19.655 3.635 27.861 490 HA ARG 65 HA ARG 65 21.577 1.581 27.872 491 HB2 ARG 65 HB2 ARG 65 20.090 2.730 25.498 492 HB3 ARG 65 HB3 ARG 65 20.862 1.148 25.576 493 HG2 ARG 65 HG2 ARG 65 18.627 2.038 27.420 494 HG3 ARG 65 HG3 ARG 65 18.384 1.074 25.964 495 HD2 ARG 65 HD2 ARG 65 19.951 -0.641 26.904 496 HD3 ARG 65 HD3 ARG 65 20.018 0.295 28.394 497 HE ARG 65 HE ARG 65 17.336 -0.376 27.539 498 HH11 ARG 65 HH11 ARG 65 20.084 -1.418 29.462 499 HH12 ARG 65 HH12 ARG 65 19.128 -2.493 30.426 500 HH21 ARG 65 HH21 ARG 65 16.158 -1.775 28.816 501 HH22 ARG 65 HH22 ARG 65 16.935 -2.691 30.063 502 H ASN 66 H ASN 66 21.677 4.823 26.515 503 HA ASN 66 HA ASN 66 23.720 4.539 24.643 504 HB2 ASN 66 HB2 ASN 66 22.276 6.584 25.130 505 HB3 ASN 66 HB3 ASN 66 23.398 6.942 26.439 506 HD21 ASN 66 HD21 ASN 66 24.040 8.925 25.239 507 HD22 ASN 66 HD22 ASN 66 25.097 8.805 23.916 508 H ARG 67 H ARG 67 25.801 4.035 24.802 509 HA ARG 67 HA ARG 67 27.124 4.162 27.420 510 HB2 ARG 67 HB2 ARG 67 27.964 2.869 24.822 511 HB3 ARG 67 HB3 ARG 67 28.916 2.849 26.306 512 HG2 ARG 67 HG2 ARG 67 27.004 1.770 27.482 513 HG3 ARG 67 HG3 ARG 67 26.130 1.706 25.951 514 HD2 ARG 67 HD2 ARG 67 28.063 0.408 24.991 515 HD3 ARG 67 HD3 ARG 67 28.752 0.342 26.610 516 HE ARG 67 HE ARG 67 27.202 -1.284 27.148 517 HH11 ARG 67 HH11 ARG 67 26.105 0.332 24.234 518 HH12 ARG 67 HH12 ARG 67 24.797 -0.777 23.991 519 HH21 ARG 67 HH21 ARG 67 25.502 -2.683 26.784 520 HH22 ARG 67 HH22 ARG 67 24.460 -2.462 25.419 521 H ARG 68 H ARG 68 26.662 6.430 25.188 522 HA ARG 68 HA ARG 68 29.434 7.465 25.332 523 HB2 ARG 68 HB2 ARG 68 27.199 8.236 23.435 524 HB3 ARG 68 HB3 ARG 68 28.840 8.878 23.420 525 HG2 ARG 68 HG2 ARG 68 28.176 5.943 23.060 526 HG3 ARG 68 HG3 ARG 68 28.443 7.063 21.724 527 HD2 ARG 68 HD2 ARG 68 30.696 7.580 22.679 528 HD3 ARG 68 HD3 ARG 68 30.433 6.327 23.888 529 HE ARG 68 HE ARG 68 30.034 4.910 21.687 530 HH11 ARG 68 HH11 ARG 68 32.565 7.278 22.289 531 HH12 ARG 68 HH12 ARG 68 33.668 6.513 21.200 532 HH21 ARG 68 HH21 ARG 68 31.513 3.970 20.309 533 HH22 ARG 68 HH22 ARG 68 33.084 4.666 20.100 534 H GLY 69 H GLY 69 29.785 9.355 26.386 535 HA2 GLY 69 HA2 GLY 69 27.865 10.403 28.164 536 HA3 GLY 69 HA3 GLY 69 29.377 11.193 27.718 537 H ARG 70 H ARG 70 26.559 12.231 28.072 538 HA ARG 70 HA ARG 70 25.389 12.914 25.630 539 HB2 ARG 70 HB2 ARG 70 25.474 14.488 28.213 540 HB3 ARG 70 HB3 ARG 70 24.394 14.830 26.860 541 HG2 ARG 70 HG2 ARG 70 23.456 12.543 27.047 542 HG3 ARG 70 HG3 ARG 70 24.502 12.241 28.435 543 HD2 ARG 70 HD2 ARG 70 22.344 12.889 29.289 544 HD3 ARG 70 HD3 ARG 70 23.449 14.232 29.564 545 HE ARG 70 HE ARG 70 22.275 14.710 27.099 546 HH11 ARG 70 HH11 ARG 70 21.124 14.351 30.396 547 HH12 ARG 70 HH12 ARG 70 19.755 15.379 30.136 548 HH21 ARG 70 HH21 ARG 70 20.496 16.026 26.823 549 HH22 ARG 70 HH22 ARG 70 19.405 16.316 28.137 550 H THR 71 H THR 71 28.007 14.500 27.420 551 HA THR 71 HA THR 71 28.309 16.770 25.794 552 HB THR 71 HB THR 71 30.509 15.226 27.188 553 HG1 THR 71 HG1 THR 71 28.730 15.843 28.504 554 HG21 THR 71 HG21 THR 71 31.573 17.459 27.304 555 HG22 THR 71 HG22 THR 71 30.230 18.137 26.383 556 HG23 THR 71 HG23 THR 71 31.304 16.954 25.636 557 H GLU 72 H GLU 72 29.619 13.488 25.480 558 HA GLU 72 HA GLU 72 31.306 13.985 23.273 559 HB2 GLU 72 HB2 GLU 72 29.883 11.444 24.096 560 HB3 GLU 72 HB3 GLU 72 31.171 11.536 22.895 561 HG2 GLU 72 HG2 GLU 72 32.672 12.517 24.620 562 HG3 GLU 72 HG3 GLU 72 31.394 12.323 25.813 563 H ILE 73 H ILE 73 27.862 13.184 23.480 564 HA ILE 73 HA ILE 73 27.365 12.592 20.789 565 HB ILE 73 HB ILE 73 25.552 14.063 22.720 566 HG12 ILE 73 HG12 ILE 73 26.381 11.937 23.661 567 HG13 ILE 73 HG13 ILE 73 24.664 11.854 23.293 568 HG21 ILE 73 HG21 ILE 73 23.733 13.075 21.354 569 HG22 ILE 73 HG22 ILE 73 24.939 12.419 20.247 570 HG23 ILE 73 HG23 ILE 73 24.749 14.164 20.410 571 HD11 ILE 73 HD11 ILE 73 26.782 10.165 22.343 572 HD12 ILE 73 HD12 ILE 73 26.052 10.969 20.955 573 HD13 ILE 73 HD13 ILE 73 25.051 10.023 22.053 574 H TYR 74 H TYR 74 27.243 15.733 22.472 575 HA TYR 74 HA TYR 74 26.586 17.242 20.154 576 HB2 TYR 74 HB2 TYR 74 27.873 18.112 22.742 577 HB3 TYR 74 HB3 TYR 74 27.223 19.193 21.523 578 HD1 TYR 74 HD1 TYR 74 24.709 17.940 20.755 579 HD2 TYR 74 HD2 TYR 74 26.529 18.272 24.631 580 HE1 TYR 74 HE1 TYR 74 22.475 17.769 21.816 581 HE2 TYR 74 HE2 TYR 74 24.294 18.102 25.695 582 HH TYR 74 HH TYR 74 21.373 17.879 23.770 583 H LYS 75 H LYS 75 29.651 16.334 21.662 584 HA LYS 75 HA LYS 75 31.338 18.144 20.354 585 HB2 LYS 75 HB2 LYS 75 32.009 16.647 22.234 586 HB3 LYS 75 HB3 LYS 75 31.995 15.288 21.110 587 HG2 LYS 75 HG2 LYS 75 33.666 16.474 19.696 588 HG3 LYS 75 HG3 LYS 75 33.727 17.767 20.894 589 HD2 LYS 75 HD2 LYS 75 34.396 16.070 22.613 590 HD3 LYS 75 HD3 LYS 75 34.484 14.865 21.327 591 HE2 LYS 75 HE2 LYS 75 36.713 15.734 21.678 592 HE3 LYS 75 HE3 LYS 75 36.124 16.357 20.138 593 HZ1 LYS 75 HZ1 LYS 75 35.591 18.427 21.146 594 HZ2 LYS 75 HZ2 LYS 75 37.186 18.046 21.590 595 HZ3 LYS 75 HZ3 LYS 75 35.917 17.835 22.701 596 H ILE 76 H ILE 76 30.204 14.930 19.346 597 HA ILE 76 HA ILE 76 31.744 14.729 17.000 598 HB ILE 76 HB ILE 76 29.006 13.564 17.582 599 HG12 ILE 76 HG12 ILE 76 31.739 12.294 17.880 600 HG13 ILE 76 HG13 ILE 76 30.888 13.060 19.220 601 HG21 ILE 76 HG21 ILE 76 29.508 13.408 15.207 602 HG22 ILE 76 HG22 ILE 76 29.752 11.820 15.933 603 HG23 ILE 76 HG23 ILE 76 31.141 12.837 15.552 604 HD11 ILE 76 HD11 ILE 76 30.154 10.578 17.690 605 HD12 ILE 76 HD12 ILE 76 28.899 11.516 18.501 606 HD13 ILE 76 HD13 ILE 76 30.226 10.825 19.435 607 H VAL 77 H VAL 77 28.525 16.134 17.574 608 HA VAL 77 HA VAL 77 27.801 16.589 14.911 609 HB VAL 77 HB VAL 77 27.130 18.286 17.330 610 HG11 VAL 77 HG11 VAL 77 25.753 17.956 14.647 611 HG12 VAL 77 HG12 VAL 77 26.569 19.410 15.226 612 HG13 VAL 77 HG13 VAL 77 25.096 18.851 16.019 613 HG21 VAL 77 HG21 VAL 77 26.458 16.062 17.830 614 HG22 VAL 77 HG22 VAL 77 25.941 15.762 16.171 615 HG23 VAL 77 HG23 VAL 77 25.005 16.842 17.204 616 H LYS 78 H LYS 78 29.627 18.648 17.161 617 HA LYS 78 HA LYS 78 30.049 20.819 15.420 618 HB2 LYS 78 HB2 LYS 78 30.545 20.824 17.867 619 HB3 LYS 78 HB3 LYS 78 31.933 19.783 17.554 620 HG2 LYS 78 HG2 LYS 78 32.822 21.984 17.616 621 HG3 LYS 78 HG3 LYS 78 32.714 21.588 15.902 622 HD2 LYS 78 HD2 LYS 78 30.611 22.819 15.712 623 HD3 LYS 78 HD3 LYS 78 30.622 23.149 17.446 624 HE2 LYS 78 HE2 LYS 78 32.575 24.524 17.262 625 HE3 LYS 78 HE3 LYS 78 32.859 24.007 15.601 626 HZ1 LYS 78 HZ1 LYS 78 31.848 26.163 15.596 627 HZ2 LYS 78 HZ2 LYS 78 30.577 25.628 16.589 628 HZ3 LYS 78 HZ3 LYS 78 30.722 25.041 15.001 629 H GLU 79 H GLU 79 31.852 17.799 15.899 630 HA GLU 79 HA GLU 79 34.005 18.453 14.169 631 HB2 GLU 79 HB2 GLU 79 32.935 15.775 15.076 632 HB3 GLU 79 HB3 GLU 79 34.436 15.992 14.173 633 HG2 GLU 79 HG2 GLU 79 35.261 17.506 15.966 634 HG3 GLU 79 HG3 GLU 79 33.794 17.191 16.882 635 H VAL 80 H VAL 80 30.887 16.845 13.623 636 HA VAL 80 HA VAL 80 31.389 15.887 11.035 637 HB VAL 80 HB VAL 80 28.789 16.861 12.248 638 HG11 VAL 80 HG11 VAL 80 29.419 15.390 9.696 639 HG12 VAL 80 HG12 VAL 80 28.303 16.731 9.955 640 HG13 VAL 80 HG13 VAL 80 27.887 15.115 10.527 641 HG21 VAL 80 HG21 VAL 80 30.249 14.875 13.245 642 HG22 VAL 80 HG22 VAL 80 29.547 13.977 11.904 643 HG23 VAL 80 HG23 VAL 80 28.499 14.727 13.108 644 H ASP 81 H ASP 81 29.882 18.976 12.034 645 HA ASP 81 HA ASP 81 29.728 20.074 9.434 646 HB2 ASP 81 HB2 ASP 81 29.944 21.430 12.131 647 HB3 ASP 81 HB3 ASP 81 29.547 22.256 10.625 648 H ARG 82 H ARG 82 32.280 20.114 11.878 649 HA ARG 82 HA ARG 82 33.889 22.123 10.739 650 HB2 ARG 82 HB2 ARG 82 34.112 21.227 13.054 651 HB3 ARG 82 HB3 ARG 82 34.775 19.741 12.383 652 HG2 ARG 82 HG2 ARG 82 36.678 21.019 12.968 653 HG3 ARG 82 HG3 ARG 82 36.519 21.252 11.228 654 HD2 ARG 82 HD2 ARG 82 35.302 23.378 11.645 655 HD3 ARG 82 HD3 ARG 82 35.532 23.147 13.375 656 HE ARG 82 HE ARG 82 37.789 23.706 13.123 657 HH11 ARG 82 HH11 ARG 82 36.284 23.441 9.961 658 HH12 ARG 82 HH12 ARG 82 37.627 24.176 9.151 659 HH21 ARG 82 HH21 ARG 82 39.487 24.642 12.024 660 HH22 ARG 82 HH22 ARG 82 39.417 24.847 10.306 661 H LYS 83 H LYS 83 34.109 18.565 10.433 662 HA LYS 83 HA LYS 83 36.388 18.686 8.713 663 HB2 LYS 83 HB2 LYS 83 34.479 16.387 9.175 664 HB3 LYS 83 HB3 LYS 83 36.086 16.281 8.457 665 HG2 LYS 83 HG2 LYS 83 35.512 17.266 11.266 666 HG3 LYS 83 HG3 LYS 83 36.081 15.648 10.868 667 HD2 LYS 83 HD2 LYS 83 38.083 16.712 9.763 668 HD3 LYS 83 HD3 LYS 83 37.540 18.263 10.401 669 HE2 LYS 83 HE2 LYS 83 37.467 16.910 12.691 670 HE3 LYS 83 HE3 LYS 83 38.656 15.908 11.859 671 HZ1 LYS 83 HZ1 LYS 83 39.440 17.951 13.195 672 HZ2 LYS 83 HZ2 LYS 83 38.927 18.836 11.839 673 HZ3 LYS 83 HZ3 LYS 83 40.128 17.647 11.675 674 H LEU 84 H LEU 84 32.915 18.172 8.107 675 HA LEU 84 HA LEU 84 33.148 17.557 5.378 676 HB2 LEU 84 HB2 LEU 84 31.036 17.931 7.211 677 HB3 LEU 84 HB3 LEU 84 30.727 19.106 5.950 678 HG LEU 84 HG LEU 84 29.605 17.004 5.443 679 HD11 LEU 84 HD11 LEU 84 30.240 16.857 3.199 680 HD12 LEU 84 HD12 LEU 84 31.952 17.062 3.565 681 HD13 LEU 84 HD13 LEU 84 30.860 18.443 3.655 682 HD21 LEU 84 HD21 LEU 84 32.202 15.560 5.081 683 HD22 LEU 84 HD22 LEU 84 30.609 14.920 5.482 684 HD23 LEU 84 HD23 LEU 84 31.573 15.721 6.719 685 H LEU 85 H LEU 85 32.822 20.687 7.016 686 HA LEU 85 HA LEU 85 32.806 22.297 4.695 687 HB2 LEU 85 HB2 LEU 85 32.248 23.096 6.994 688 HB3 LEU 85 HB3 LEU 85 33.958 22.983 7.410 689 HG LEU 85 HG LEU 85 34.422 24.520 5.437 690 HD11 LEU 85 HD11 LEU 85 32.414 24.308 4.159 691 HD12 LEU 85 HD12 LEU 85 32.390 25.941 4.821 692 HD13 LEU 85 HD13 LEU 85 31.403 24.678 5.556 693 HD21 LEU 85 HD21 LEU 85 32.626 25.678 7.588 694 HD22 LEU 85 HD22 LEU 85 33.900 26.517 6.703 695 HD23 LEU 85 HD23 LEU 85 34.315 25.244 7.851 696 H ASP 86 H ASP 86 35.451 21.022 6.687 697 HA ASP 86 HA ASP 86 37.582 22.309 5.369 698 HB2 ASP 86 HB2 ASP 86 37.485 19.642 6.793 699 HB3 ASP 86 HB3 ASP 86 38.966 20.448 6.288 700 H LEU 87 H LEU 87 35.931 19.234 4.731 701 HA LEU 87 HA LEU 87 37.585 18.293 2.673 702 HB2 LEU 87 HB2 LEU 87 35.775 16.978 3.766 703 HB3 LEU 87 HB3 LEU 87 34.585 17.953 2.903 704 HG LEU 87 HG LEU 87 35.728 17.255 0.750 705 HD11 LEU 87 HD11 LEU 87 37.010 15.020 1.083 706 HD12 LEU 87 HD12 LEU 87 37.213 15.557 2.751 707 HD13 LEU 87 HD13 LEU 87 37.866 16.523 1.428 708 HD21 LEU 87 HD21 LEU 87 34.816 14.844 0.938 709 HD22 LEU 87 HD22 LEU 87 33.683 16.160 1.245 710 HD23 LEU 87 HD23 LEU 87 34.390 15.272 2.596 711 H THR 88 H THR 88 34.839 20.539 2.593 712 HA THR 88 HA THR 88 34.639 20.843 -0.194 713 HB THR 88 HB THR 88 34.184 22.977 1.904 714 HG1 THR 88 HG1 THR 88 32.658 21.704 2.479 715 HG21 THR 88 HG21 THR 88 33.340 22.575 -0.958 716 HG22 THR 88 HG22 THR 88 34.040 24.008 -0.203 717 HG23 THR 88 HG23 THR 88 32.369 23.558 0.138 718 H ASP 89 H ASP 89 36.640 22.531 2.203 719 HA ASP 89 HA ASP 89 37.831 24.400 0.476 720 HB2 ASP 89 HB2 ASP 89 37.973 24.400 2.984 721 HB3 ASP 89 HB3 ASP 89 39.142 23.088 2.863 722 H ALA 90 H ALA 90 38.689 21.049 1.230 723 HA ALA 90 HA ALA 90 41.196 20.993 -0.058 724 HB1 ALA 90 HB1 ALA 90 39.232 18.705 0.196 725 HB2 ALA 90 HB2 ALA 90 40.310 19.232 1.488 726 HB3 ALA 90 HB3 ALA 90 40.979 18.588 -0.011 727 H VAL 91 H VAL 91 37.914 20.380 -1.261 728 HA VAL 91 HA VAL 91 38.665 19.583 -3.875 729 HB VAL 91 HB VAL 91 36.107 20.925 -2.957 730 HG11 VAL 91 HG11 VAL 91 36.034 21.004 -5.300 731 HG12 VAL 91 HG12 VAL 91 35.255 19.461 -4.949 732 HG13 VAL 91 HG13 VAL 91 36.938 19.500 -5.475 733 HG21 VAL 91 HG21 VAL 91 37.090 18.079 -2.927 734 HG22 VAL 91 HG22 VAL 91 35.366 18.419 -3.075 735 HG23 VAL 91 HG23 VAL 91 36.257 18.975 -1.658 736 H LEU 92 H LEU 92 37.877 22.734 -2.454 737 HA LEU 92 HA LEU 92 38.437 24.087 -4.984 738 HB2 LEU 92 HB2 LEU 92 37.595 25.229 -2.313 739 HB3 LEU 92 HB3 LEU 92 37.678 26.107 -3.838 740 HG LEU 92 HG LEU 92 35.922 23.685 -3.346 741 HD11 LEU 92 HD11 LEU 92 35.128 25.576 -2.031 742 HD12 LEU 92 HD12 LEU 92 34.069 25.367 -3.427 743 HD13 LEU 92 HD13 LEU 92 35.280 26.649 -3.423 744 HD21 LEU 92 HD21 LEU 92 34.847 24.721 -5.492 745 HD22 LEU 92 HD22 LEU 92 36.324 23.773 -5.663 746 HD23 LEU 92 HD23 LEU 92 36.401 25.534 -5.678 747 H ALA 93 H ALA 93 40.536 22.833 -2.935 748 HA ALA 93 HA ALA 93 42.083 24.930 -1.900 749 HB1 ALA 93 HB1 ALA 93 43.370 22.428 -2.934 750 HB2 ALA 93 HB2 ALA 93 42.249 22.333 -1.577 751 HB3 ALA 93 HB3 ALA 93 43.701 23.325 -1.452 752 H LYS 94 H LYS 94 43.820 26.086 -2.679 753 HA LYS 94 HA LYS 94 43.819 26.840 -5.378 754 HB2 LYS 94 HB2 LYS 94 46.036 27.109 -3.333 755 HB3 LYS 94 HB3 LYS 94 45.935 27.994 -4.856 756 HG2 LYS 94 HG2 LYS 94 43.677 28.855 -4.093 757 HG3 LYS 94 HG3 LYS 94 44.027 28.158 -2.511 758 HD2 LYS 94 HD2 LYS 94 45.790 30.179 -3.923 759 HD3 LYS 94 HD3 LYS 94 44.634 30.576 -2.652 760 HE2 LYS 94 HE2 LYS 94 45.872 28.799 -1.238 761 HE3 LYS 94 HE3 LYS 94 47.154 28.932 -2.442 762 HZ1 LYS 94 HZ1 LYS 94 47.792 30.879 -1.619 763 HZ2 LYS 94 HZ2 LYS 94 46.796 30.557 -0.281 764 HZ3 LYS 94 HZ3 LYS 94 46.208 31.485 -1.576 765 H GLU 95 H GLU 95 45.774 24.453 -3.651 766 HA GLU 95 HA GLU 95 47.176 23.778 -6.152 767 HB2 GLU 95 HB2 GLU 95 47.716 22.909 -3.301 768 HB3 GLU 95 HB3 GLU 95 48.702 22.500 -4.707 769 HG2 GLU 95 HG2 GLU 95 49.061 24.939 -5.111 770 HG3 GLU 95 HG3 GLU 95 48.182 25.282 -3.623 771 H LYS 96 H LYS 96 47.454 21.469 -6.653 772 HA LYS 96 HA LYS 96 44.927 20.117 -6.607 773 HB2 LYS 96 HB2 LYS 96 47.633 19.080 -7.488 774 HB3 LYS 96 HB3 LYS 96 46.067 18.374 -7.881 775 HG2 LYS 96 HG2 LYS 96 46.938 21.172 -8.659 776 HG3 LYS 96 HG3 LYS 96 46.973 19.776 -9.734 777 HD2 LYS 96 HD2 LYS 96 44.502 19.494 -9.323 778 HD3 LYS 96 HD3 LYS 96 44.529 21.027 -8.451 779 HE2 LYS 96 HE2 LYS 96 45.667 20.867 -11.227 780 HE3 LYS 96 HE3 LYS 96 43.927 21.029 -10.997 781 HZ1 LYS 96 HZ1 LYS 96 44.778 22.888 -9.328 782 HZ2 LYS 96 HZ2 LYS 96 44.476 23.204 -10.971 783 HZ3 LYS 96 HZ3 LYS 96 46.064 22.926 -10.435 784 H LYS 97 H LYS 97 44.256 18.438 -5.385 785 HA LYS 97 HA LYS 97 46.076 17.495 -3.243 786 HB2 LYS 97 HB2 LYS 97 43.058 17.710 -3.166 787 HB3 LYS 97 HB3 LYS 97 44.103 17.203 -1.842 788 HG2 LYS 97 HG2 LYS 97 44.192 19.926 -3.172 789 HG3 LYS 97 HG3 LYS 97 43.402 19.582 -1.635 790 HD2 LYS 97 HD2 LYS 97 45.611 18.752 -0.765 791 HD3 LYS 97 HD3 LYS 97 46.355 19.325 -2.259 792 HE2 LYS 97 HE2 LYS 97 45.829 21.589 -1.787 793 HE3 LYS 97 HE3 LYS 97 44.681 21.142 -0.524 794 HZ1 LYS 97 HZ1 LYS 97 46.906 21.943 0.263 795 HZ2 LYS 97 HZ2 LYS 97 47.571 20.512 -0.367 796 HZ3 LYS 97 HZ3 LYS 97 46.418 20.440 0.880 797 H GLY 98 H GLY 98 45.969 15.304 -2.654 798 HA2 GLY 98 HA2 GLY 98 44.508 13.522 -4.509 799 HA3 GLY 98 HA3 GLY 98 46.219 13.269 -4.181 800 H GLU 99 H GLU 99 46.867 12.379 -2.238 801 HA GLU 99 HA GLU 99 45.097 10.617 -0.951 802 HB2 GLU 99 HB2 GLU 99 47.777 11.685 -0.048 803 HB3 GLU 99 HB3 GLU 99 46.933 10.330 0.702 804 HG2 GLU 99 HG2 GLU 99 46.923 9.158 -1.490 805 HG3 GLU 99 HG3 GLU 99 47.844 10.485 -2.184 806 H ASP 100 H ASP 100 45.988 13.938 -0.198 807 HA ASP 100 HA ASP 100 45.286 14.066 2.495 808 HB2 ASP 100 HB2 ASP 100 44.979 16.155 0.329 809 HB3 ASP 100 HB3 ASP 100 44.847 16.480 2.056 810 H ILE 101 H ILE 101 43.224 14.418 -0.386 811 HA ILE 101 HA ILE 101 40.833 15.038 0.992 812 HB ILE 101 HB ILE 101 41.151 13.585 -1.651 813 HG12 ILE 101 HG12 ILE 101 40.743 16.545 -1.135 814 HG13 ILE 101 HG13 ILE 101 42.321 15.827 -1.457 815 HG21 ILE 101 HG21 ILE 101 38.899 14.387 -2.114 816 HG22 ILE 101 HG22 ILE 101 38.851 15.247 -0.576 817 HG23 ILE 101 HG23 ILE 101 38.877 13.484 -0.600 818 HD11 ILE 101 HD11 ILE 101 41.223 16.757 -3.511 819 HD12 ILE 101 HD12 ILE 101 39.933 15.573 -3.310 820 HD13 ILE 101 HD13 ILE 101 41.581 15.035 -3.629 821 H LEU 102 H LEU 102 42.236 11.954 -0.071 822 HA LEU 102 HA LEU 102 40.121 10.281 0.719 823 HB2 LEU 102 HB2 LEU 102 43.085 9.660 0.672 824 HB3 LEU 102 HB3 LEU 102 41.779 8.476 0.685 825 HG LEU 102 HG LEU 102 42.179 10.565 -1.476 826 HD11 LEU 102 HD11 LEU 102 43.970 8.824 -1.423 827 HD12 LEU 102 HD12 LEU 102 42.962 8.718 -2.868 828 HD13 LEU 102 HD13 LEU 102 42.723 7.581 -1.541 829 HD21 LEU 102 HD21 LEU 102 40.237 8.286 -1.059 830 HD22 LEU 102 HD22 LEU 102 40.567 8.935 -2.666 831 HD23 LEU 102 HD23 LEU 102 39.878 9.975 -1.419 832 H ASN 103 H ASN 103 42.914 11.517 2.524 833 HA ASN 103 HA ASN 103 42.565 10.014 4.872 834 HB2 ASN 103 HB2 ASN 103 43.663 12.808 4.498 835 HB3 ASN 103 HB3 ASN 103 43.812 11.866 5.979 836 HD21 ASN 103 HD21 ASN 103 46.082 12.748 4.383 837 HD22 ASN 103 HD22 ASN 103 46.853 11.355 3.795 838 H MET 104 H MET 104 41.166 13.114 3.858 839 HA MET 104 HA MET 104 39.790 13.658 6.274 840 HB2 MET 104 HB2 MET 104 39.150 14.492 3.431 841 HB3 MET 104 HB3 MET 104 38.406 15.177 4.872 842 HG2 MET 104 HG2 MET 104 41.367 15.243 4.225 843 HG3 MET 104 HG3 MET 104 40.256 16.597 4.051 844 HE1 MET 104 HE1 MET 104 39.203 17.523 7.561 845 HE2 MET 104 HE2 MET 104 38.371 16.218 6.721 846 HE3 MET 104 HE3 MET 104 38.935 17.621 5.816 847 H VAL 105 H VAL 105 38.857 11.916 3.328 848 HA VAL 105 HA VAL 105 36.148 11.512 3.987 849 HB VAL 105 HB VAL 105 37.993 9.751 2.346 850 HG11 VAL 105 HG11 VAL 105 35.955 8.895 1.316 851 HG12 VAL 105 HG12 VAL 105 34.967 9.969 2.305 852 HG13 VAL 105 HG13 VAL 105 35.859 8.650 3.060 853 HG21 VAL 105 HG21 VAL 105 37.387 11.043 0.472 854 HG22 VAL 105 HG22 VAL 105 37.635 12.259 1.723 855 HG23 VAL 105 HG23 VAL 105 36.001 11.755 1.296 856 H ALA 106 H ALA 106 39.059 9.618 4.725 857 HA ALA 106 HA ALA 106 37.742 7.431 5.937 858 HB1 ALA 106 HB1 ALA 106 40.251 7.780 5.206 859 HB2 ALA 106 HB2 ALA 106 39.852 6.694 6.537 860 HB3 ALA 106 HB3 ALA 106 40.440 8.322 6.874 861 H GLU 107 H GLU 107 39.018 10.473 7.266 862 HA GLU 107 HA GLU 107 38.513 9.787 9.986 863 HB2 GLU 107 HB2 GLU 107 40.114 11.561 9.223 864 HB3 GLU 107 HB3 GLU 107 38.722 12.568 8.819 865 HG2 GLU 107 HG2 GLU 107 37.927 12.354 11.168 866 HG3 GLU 107 HG3 GLU 107 39.374 11.436 11.553 867 H ILE 108 H ILE 108 36.727 11.807 7.642 868 HA ILE 108 HA ILE 108 34.586 12.490 9.323 869 HB ILE 108 HB ILE 108 34.591 12.063 6.321 870 HG12 ILE 108 HG12 ILE 108 34.769 14.673 7.825 871 HG13 ILE 108 HG13 ILE 108 36.217 13.758 7.407 872 HG21 ILE 108 HG21 ILE 108 32.628 13.533 6.307 873 HG22 ILE 108 HG22 ILE 108 32.691 13.666 8.065 874 HG23 ILE 108 HG23 ILE 108 32.303 12.119 7.310 875 HD11 ILE 108 HD11 ILE 108 34.137 14.857 5.498 876 HD12 ILE 108 HD12 ILE 108 35.426 13.756 5.012 877 HD13 ILE 108 HD13 ILE 108 35.823 15.357 5.636 878 H LYS 109 H LYS 109 35.098 9.658 7.249 879 HA LYS 109 HA LYS 109 32.596 8.441 7.554 880 HB2 LYS 109 HB2 LYS 109 34.365 7.696 5.971 881 HB3 LYS 109 HB3 LYS 109 35.290 7.074 7.336 882 HG2 LYS 109 HG2 LYS 109 34.107 5.199 6.480 883 HG3 LYS 109 HG3 LYS 109 33.210 5.686 7.915 884 HD2 LYS 109 HD2 LYS 109 31.598 6.905 6.532 885 HD3 LYS 109 HD3 LYS 109 32.518 6.512 5.080 886 HE2 LYS 109 HE2 LYS 109 31.162 4.524 6.925 887 HE3 LYS 109 HE3 LYS 109 30.625 4.974 5.308 888 HZ1 LYS 109 HZ1 LYS 109 31.833 2.958 5.133 889 HZ2 LYS 109 HZ2 LYS 109 33.129 3.569 6.045 890 HZ3 LYS 109 HZ3 LYS 109 32.820 4.179 4.490 891 H ALA 110 H ALA 110 35.494 8.308 9.596 892 HA ALA 110 HA ALA 110 34.594 6.312 11.377 893 HB1 ALA 110 HB1 ALA 110 36.957 7.251 11.117 894 HB2 ALA 110 HB2 ALA 110 36.408 6.941 12.765 895 HB3 ALA 110 HB3 ALA 110 36.420 8.588 12.135 896 H LEU 111 H LEU 111 34.135 9.819 11.338 897 HA LEU 111 HA LEU 111 33.163 10.144 13.950 898 HB2 LEU 111 HB2 LEU 111 32.422 11.674 11.446 899 HB3 LEU 111 HB3 LEU 111 32.119 12.210 13.098 900 HG LEU 111 HG LEU 111 34.870 11.579 11.994 901 HD11 LEU 111 HD11 LEU 111 33.578 13.622 11.034 902 HD12 LEU 111 HD12 LEU 111 35.209 13.885 11.653 903 HD13 LEU 111 HD13 LEU 111 33.812 14.328 12.634 904 HD21 LEU 111 HD21 LEU 111 35.024 11.355 14.319 905 HD22 LEU 111 HD22 LEU 111 33.787 12.574 14.616 906 HD23 LEU 111 HD23 LEU 111 35.399 13.063 14.098 907 H LEU 112 H LEU 112 31.518 9.157 10.982 908 HA LEU 112 HA LEU 112 28.882 9.398 12.051 909 HB2 LEU 112 HB2 LEU 112 29.822 7.735 9.706 910 HB3 LEU 112 HB3 LEU 112 28.165 8.227 10.044 911 HG LEU 112 HG LEU 112 30.473 10.110 9.467 912 HD11 LEU 112 HD11 LEU 112 28.025 9.725 7.762 913 HD12 LEU 112 HD12 LEU 112 29.403 8.636 7.589 914 HD13 LEU 112 HD13 LEU 112 29.605 10.365 7.307 915 HD21 LEU 112 HD21 LEU 112 28.597 11.801 9.305 916 HD22 LEU 112 HD22 LEU 112 28.886 11.196 10.937 917 HD23 LEU 112 HD23 LEU 112 27.526 10.584 9.997 918 H ILE 113 H ILE 113 31.232 6.767 11.942 919 HA ILE 113 HA ILE 113 29.343 4.706 12.518 920 HB ILE 113 HB ILE 113 32.340 4.683 12.910 921 HG12 ILE 113 HG12 ILE 113 31.786 5.249 10.601 922 HG13 ILE 113 HG13 ILE 113 32.389 3.601 10.680 923 HG21 ILE 113 HG21 ILE 113 30.271 2.483 12.702 924 HG22 ILE 113 HG22 ILE 113 31.337 2.825 14.065 925 HG23 ILE 113 HG23 ILE 113 32.007 2.205 12.555 926 HD11 ILE 113 HD11 ILE 113 30.544 3.029 9.509 927 HD12 ILE 113 HD12 ILE 113 29.780 4.588 9.806 928 HD13 ILE 113 HD13 ILE 113 29.628 3.294 10.991 929 H ASN 114 H ASN 114 31.710 6.436 14.596 930 HA ASN 114 HA ASN 114 31.141 4.906 16.898 931 HB2 ASN 114 HB2 ASN 114 32.053 6.933 18.166 932 HB3 ASN 114 HB3 ASN 114 33.135 6.120 17.044 933 HD21 ASN 114 HD21 ASN 114 34.406 7.753 16.166 934 HD22 ASN 114 HD22 ASN 114 33.811 9.205 15.519 935 H ILE 115 H ILE 115 29.687 7.891 15.664 936 HA ILE 115 HA ILE 115 27.966 8.258 17.905 937 HB ILE 115 HB ILE 115 28.558 10.078 16.345 938 HG12 ILE 115 HG12 ILE 115 25.577 9.594 16.314 939 HG13 ILE 115 HG13 ILE 115 26.451 10.016 17.788 940 HG21 ILE 115 HG21 ILE 115 26.803 8.522 14.430 941 HG22 ILE 115 HG22 ILE 115 28.505 8.927 14.220 942 HG23 ILE 115 HG23 ILE 115 27.285 10.198 14.183 943 HD11 ILE 115 HD11 ILE 115 26.234 11.648 15.249 944 HD12 ILE 115 HD12 ILE 115 27.374 12.021 16.542 945 HD13 ILE 115 HD13 ILE 115 25.639 12.076 16.852 946 H TYR 116 H TYR 116 27.711 6.349 14.973 947 HA TYR 116 HA TYR 116 24.953 5.994 14.809 948 HB2 TYR 116 HB2 TYR 116 26.495 5.213 13.095 949 HB3 TYR 116 HB3 TYR 116 27.171 4.038 14.204 950 HD1 TYR 116 HD1 TYR 116 24.368 4.851 11.987 951 HD2 TYR 116 HD2 TYR 116 25.904 2.035 14.845 952 HE1 TYR 116 HE1 TYR 116 22.690 3.178 11.248 953 HE2 TYR 116 HE2 TYR 116 24.226 0.368 14.107 954 HH TYR 116 HH TYR 116 22.859 -0.001 11.965 955 H LYS 117 H LYS 117 27.336 4.250 16.791 956 HA LYS 117 HA LYS 117 25.353 3.576 18.740 957 HB2 LYS 117 HB2 LYS 117 24.861 1.906 16.936 958 HB3 LYS 117 HB3 LYS 117 26.496 1.277 17.138 959 HG2 LYS 117 HG2 LYS 117 25.138 -0.120 18.494 960 HG3 LYS 117 HG3 LYS 117 25.903 0.999 19.622 961 HD2 LYS 117 HD2 LYS 117 23.900 2.390 19.668 962 HD3 LYS 117 HD3 LYS 117 23.139 1.381 18.437 963 HE2 LYS 117 HE2 LYS 117 24.119 0.097 20.965 964 HE3 LYS 117 HE3 LYS 117 22.599 0.990 20.989 965 HZ1 LYS 117 HZ1 LYS 117 22.898 -0.789 18.739 966 HZ2 LYS 117 HZ2 LYS 117 21.575 -0.563 19.780 967 HZ3 LYS 117 HZ3 LYS 117 22.857 -1.578 20.239 Start of MODEL 6 1 H GLU 1 H GLU 1 4.609 2.126 22.544 2 HA GLU 1 HA GLU 1 2.396 2.370 20.594 3 HB2 GLU 1 HB2 GLU 1 5.274 1.540 20.156 4 HB3 GLU 1 HB3 GLU 1 4.026 1.566 18.909 5 HG2 GLU 1 HG2 GLU 1 3.687 3.993 19.342 6 HG3 GLU 1 HG3 GLU 1 5.002 3.948 20.508 7 H ALA 2 H ALA 2 1.699 0.439 19.514 8 HA ALA 2 HA ALA 2 1.906 -1.928 21.253 9 HB1 ALA 2 HB1 ALA 2 -0.325 -0.793 20.486 10 HB2 ALA 2 HB2 ALA 2 -0.203 -2.552 20.515 11 HB3 ALA 2 HB3 ALA 2 -0.040 -1.682 18.990 12 H ALA 3 H ALA 3 4.043 -1.237 19.352 13 HA ALA 3 HA ALA 3 3.781 -3.393 17.357 14 HB1 ALA 3 HB1 ALA 3 6.047 -1.417 17.511 15 HB2 ALA 3 HB2 ALA 3 4.513 -0.990 16.751 16 HB3 ALA 3 HB3 ALA 3 5.470 -2.328 16.116 17 H ALA 4 H ALA 4 5.163 -5.126 17.322 18 HA ALA 4 HA ALA 4 6.319 -5.972 19.755 19 HB1 ALA 4 HB1 ALA 4 5.530 -7.374 17.729 20 HB2 ALA 4 HB2 ALA 4 6.960 -7.917 18.607 21 HB3 ALA 4 HB3 ALA 4 7.137 -7.062 17.073 22 H ALA 5 H ALA 5 7.724 -4.533 16.837 23 HA ALA 5 HA ALA 5 10.434 -4.736 17.752 24 HB1 ALA 5 HB1 ALA 5 11.013 -3.498 15.812 25 HB2 ALA 5 HB2 ALA 5 9.401 -2.795 15.686 26 HB3 ALA 5 HB3 ALA 5 9.646 -4.505 15.333 27 H ALA 6 H ALA 6 11.751 -3.140 18.624 28 HA ALA 6 HA ALA 6 10.328 -1.000 20.034 29 HB1 ALA 6 HB1 ALA 6 11.822 -2.361 21.382 30 HB2 ALA 6 HB2 ALA 6 12.486 -0.732 21.253 31 HB3 ALA 6 HB3 ALA 6 13.161 -2.041 20.281 32 H ARG 7 H ARG 7 10.774 1.169 19.760 33 HA ARG 7 HA ARG 7 11.384 2.034 17.181 34 HB2 ARG 7 HB2 ARG 7 10.105 3.345 18.869 35 HB3 ARG 7 HB3 ARG 7 11.619 3.670 19.716 36 HG2 ARG 7 HG2 ARG 7 12.526 4.714 17.653 37 HG3 ARG 7 HG3 ARG 7 10.979 4.441 16.853 38 HD2 ARG 7 HD2 ARG 7 9.869 5.811 18.617 39 HD3 ARG 7 HD3 ARG 7 11.455 6.155 19.305 40 HE ARG 7 HE ARG 7 11.771 7.704 17.629 41 HH11 ARG 7 HH11 ARG 7 9.248 5.503 16.576 42 HH12 ARG 7 HH12 ARG 7 8.922 6.409 15.136 43 HH21 ARG 7 HH21 ARG 7 11.307 8.828 15.761 44 HH22 ARG 7 HH22 ARG 7 10.073 8.268 14.682 45 H ASP 8 H ASP 8 13.487 1.747 20.023 46 HA ASP 8 HA ASP 8 15.678 3.191 19.035 47 HB2 ASP 8 HB2 ASP 8 17.020 1.980 20.671 48 HB3 ASP 8 HB3 ASP 8 15.477 2.450 21.379 49 H GLU 9 H GLU 9 14.792 -0.218 18.619 50 HA GLU 9 HA GLU 9 17.117 -0.849 17.054 51 HB2 GLU 9 HB2 GLU 9 14.467 -2.278 17.363 52 HB3 GLU 9 HB3 GLU 9 15.874 -2.936 16.526 53 HG2 GLU 9 HG2 GLU 9 17.198 -2.681 18.617 54 HG3 GLU 9 HG3 GLU 9 15.751 -2.120 19.442 55 H SER 10 H SER 10 13.778 0.085 16.349 56 HA SER 10 HA SER 10 13.811 -0.410 13.577 57 HB2 SER 10 HB2 SER 10 12.232 1.704 15.060 58 HB3 SER 10 HB3 SER 10 11.860 1.035 13.474 59 HG SER 10 HG SER 10 11.033 -0.600 14.474 60 H ALA 11 H ALA 11 14.721 2.452 15.457 61 HA ALA 11 HA ALA 11 15.110 4.189 13.253 62 HB1 ALA 11 HB1 ALA 11 16.125 4.163 16.086 63 HB2 ALA 11 HB2 ALA 11 14.943 5.242 15.346 64 HB3 ALA 11 HB3 ALA 11 16.652 5.393 14.937 65 H TYR 12 H TYR 12 17.250 1.915 14.909 66 HA TYR 12 HA TYR 12 19.689 2.681 13.765 67 HB2 TYR 12 HB2 TYR 12 19.465 1.106 15.639 68 HB3 TYR 12 HB3 TYR 12 18.747 -0.074 14.561 69 HD1 TYR 12 HD1 TYR 12 21.860 1.679 15.497 70 HD2 TYR 12 HD2 TYR 12 20.103 -1.366 13.030 71 HE1 TYR 12 HE1 TYR 12 24.120 0.803 14.969 72 HE2 TYR 12 HE2 TYR 12 22.361 -2.242 12.501 73 HH TYR 12 HH TYR 12 24.574 -2.155 13.285 74 H LEU 13 H LEU 13 17.168 0.498 12.570 75 HA LEU 13 HA LEU 13 18.625 -0.640 10.450 76 HB2 LEU 13 HB2 LEU 13 15.644 -0.154 10.632 77 HB3 LEU 13 HB3 LEU 13 16.444 -1.286 9.543 78 HG LEU 13 HG LEU 13 16.606 -1.406 12.568 79 HD11 LEU 13 HD11 LEU 13 15.015 -3.177 12.483 80 HD12 LEU 13 HD12 LEU 13 15.125 -3.291 10.726 81 HD13 LEU 13 HD13 LEU 13 14.339 -1.900 11.471 82 HD21 LEU 13 HD21 LEU 13 17.395 -3.800 11.882 83 HD22 LEU 13 HD22 LEU 13 18.541 -2.467 11.741 84 HD23 LEU 13 HD23 LEU 13 17.710 -3.069 10.307 85 H LYS 14 H LYS 14 16.658 2.314 10.590 86 HA LYS 14 HA LYS 14 16.766 2.745 7.755 87 HB2 LYS 14 HB2 LYS 14 16.066 4.681 9.972 88 HB3 LYS 14 HB3 LYS 14 15.767 4.929 8.253 89 HG2 LYS 14 HG2 LYS 14 14.679 2.519 9.710 90 HG3 LYS 14 HG3 LYS 14 13.807 4.048 9.682 91 HD2 LYS 14 HD2 LYS 14 14.774 2.758 7.128 92 HD3 LYS 14 HD3 LYS 14 13.234 2.311 7.854 93 HE2 LYS 14 HE2 LYS 14 14.049 5.120 7.060 94 HE3 LYS 14 HE3 LYS 14 12.939 4.083 6.166 95 HZ1 LYS 14 HZ1 LYS 14 12.497 5.611 8.569 96 HZ2 LYS 14 HZ2 LYS 14 11.909 4.019 8.649 97 HZ3 LYS 14 HZ3 LYS 14 11.384 5.061 7.413 98 H LEU 15 H LEU 15 18.560 4.037 10.533 99 HA LEU 15 HA LEU 15 19.839 6.122 9.127 100 HB2 LEU 15 HB2 LEU 15 20.717 4.641 11.615 101 HB3 LEU 15 HB3 LEU 15 21.420 6.152 11.037 102 HG LEU 15 HG LEU 15 18.480 5.804 11.685 103 HD11 LEU 15 HD11 LEU 15 20.062 5.568 13.664 104 HD12 LEU 15 HD12 LEU 15 18.907 6.895 13.782 105 HD13 LEU 15 HD13 LEU 15 20.584 7.221 13.340 106 HD21 LEU 15 HD21 LEU 15 18.672 7.638 10.225 107 HD22 LEU 15 HD22 LEU 15 20.254 8.095 10.857 108 HD23 LEU 15 HD23 LEU 15 18.801 8.401 11.811 109 H GLN 16 H GLN 16 20.841 2.764 9.731 110 HA GLN 16 HA GLN 16 23.444 3.057 8.665 111 HB2 GLN 16 HB2 GLN 16 23.503 0.623 8.567 112 HB3 GLN 16 HB3 GLN 16 22.799 1.161 10.090 113 HG2 GLN 16 HG2 GLN 16 20.539 0.801 9.161 114 HG3 GLN 16 HG3 GLN 16 21.253 0.221 7.656 115 HE21 GLN 16 HE21 GLN 16 22.134 -1.926 7.628 116 HE22 GLN 16 HE22 GLN 16 22.002 -2.984 8.949 117 H GLU 17 H GLU 17 20.345 2.251 7.151 118 HA GLU 17 HA GLU 17 21.386 1.651 4.580 119 HB2 GLU 17 HB2 GLU 17 18.678 2.709 5.421 120 HB3 GLU 17 HB3 GLU 17 19.067 2.144 3.795 121 HG2 GLU 17 HG2 GLU 17 19.707 -0.062 4.737 122 HG3 GLU 17 HG3 GLU 17 19.244 0.502 6.336 123 H GLN 18 H GLN 18 20.271 4.660 6.084 124 HA GLN 18 HA GLN 18 20.531 6.349 3.854 125 HB2 GLN 18 HB2 GLN 18 20.828 6.887 6.812 126 HB3 GLN 18 HB3 GLN 18 20.831 8.160 5.594 127 HG2 GLN 18 HG2 GLN 18 18.587 6.174 6.066 128 HG3 GLN 18 HG3 GLN 18 18.586 7.860 6.576 129 HE21 GLN 18 HE21 GLN 18 17.046 6.144 4.389 130 HE22 GLN 18 HE22 GLN 18 17.088 7.175 3.041 131 H MET 19 H MET 19 22.914 5.244 6.228 132 HA MET 19 HA MET 19 25.002 6.991 5.614 133 HB2 MET 19 HB2 MET 19 24.968 5.365 7.513 134 HB3 MET 19 HB3 MET 19 25.289 4.073 6.356 135 HG2 MET 19 HG2 MET 19 27.354 5.272 5.641 136 HG3 MET 19 HG3 MET 19 27.051 6.482 6.887 137 HE1 MET 19 HE1 MET 19 29.449 5.981 8.318 138 HE2 MET 19 HE2 MET 19 29.568 5.376 6.668 139 HE3 MET 19 HE3 MET 19 30.114 4.372 8.008 140 H ARG 20 H ARG 20 24.034 3.963 4.037 141 HA ARG 20 HA ARG 20 26.212 3.720 2.276 142 HB2 ARG 20 HB2 ARG 20 23.320 2.956 1.797 143 HB3 ARG 20 HB3 ARG 20 24.708 2.361 0.889 144 HG2 ARG 20 HG2 ARG 20 24.370 2.001 3.879 145 HG3 ARG 20 HG3 ARG 20 23.911 0.787 2.686 146 HD2 ARG 20 HD2 ARG 20 26.271 0.811 1.839 147 HD3 ARG 20 HD3 ARG 20 26.694 1.894 3.160 148 HE ARG 20 HE ARG 20 26.059 -0.945 3.364 149 HH11 ARG 20 HH11 ARG 20 26.596 2.063 5.096 150 HH12 ARG 20 HH12 ARG 20 26.949 1.255 6.587 151 HH21 ARG 20 HH21 ARG 20 26.523 -1.926 5.310 152 HH22 ARG 20 HH22 ARG 20 26.908 -0.974 6.706 153 H LYS 21 H LYS 21 23.178 5.545 1.979 154 HA LYS 21 HA LYS 21 23.586 6.493 -0.645 155 HB2 LYS 21 HB2 LYS 21 21.446 6.694 0.632 156 HB3 LYS 21 HB3 LYS 21 22.202 7.936 1.630 157 HG2 LYS 21 HG2 LYS 21 21.032 9.135 -0.052 158 HG3 LYS 21 HG3 LYS 21 22.717 9.162 -0.569 159 HD2 LYS 21 HD2 LYS 21 22.311 7.294 -2.099 160 HD3 LYS 21 HD3 LYS 21 20.643 7.175 -1.540 161 HE2 LYS 21 HE2 LYS 21 20.394 8.456 -3.471 162 HE3 LYS 21 HE3 LYS 21 20.524 9.706 -2.233 163 HZ1 LYS 21 HZ1 LYS 21 22.158 10.482 -3.521 164 HZ2 LYS 21 HZ2 LYS 21 22.351 9.015 -4.355 165 HZ3 LYS 21 HZ3 LYS 21 23.099 9.242 -2.847 166 H ILE 22 H ILE 22 24.564 7.793 2.514 167 HA ILE 22 HA ILE 22 25.813 10.143 1.569 168 HB ILE 22 HB ILE 22 26.633 8.490 3.969 169 HG12 ILE 22 HG12 ILE 22 24.225 8.946 4.075 170 HG13 ILE 22 HG13 ILE 22 25.082 9.923 5.261 171 HG21 ILE 22 HG21 ILE 22 28.208 10.268 3.325 172 HG22 ILE 22 HG22 ILE 22 27.401 10.660 4.844 173 HG23 ILE 22 HG23 ILE 22 26.894 11.444 3.348 174 HD11 ILE 22 HD11 ILE 22 25.008 11.853 3.692 175 HD12 ILE 22 HD12 ILE 22 23.396 11.277 4.110 176 HD13 ILE 22 HD13 ILE 22 24.101 10.863 2.549 177 H ASP 23 H ASP 23 27.073 6.884 2.208 178 HA ASP 23 HA ASP 23 29.759 7.394 1.538 179 HB2 ASP 23 HB2 ASP 23 28.899 5.361 2.728 180 HB3 ASP 23 HB3 ASP 23 28.267 4.788 1.186 181 H ALA 24 H ALA 24 26.996 6.367 -0.437 182 HA ALA 24 HA ALA 24 28.433 5.881 -2.822 183 HB1 ALA 24 HB1 ALA 24 25.571 6.493 -2.169 184 HB2 ALA 24 HB2 ALA 24 26.267 5.035 -2.876 185 HB3 ALA 24 HB3 ALA 24 26.098 6.494 -3.851 186 H ASP 25 H ASP 25 26.734 8.775 -1.637 187 HA ASP 25 HA ASP 25 27.372 10.445 -3.827 188 HB2 ASP 25 HB2 ASP 25 26.794 11.134 -0.938 189 HB3 ASP 25 HB3 ASP 25 26.864 12.303 -2.253 190 H ALA 26 H ALA 26 29.037 9.767 -0.775 191 HA ALA 26 HA ALA 26 31.053 11.728 -0.997 192 HB1 ALA 26 HB1 ALA 26 30.848 10.742 1.122 193 HB2 ALA 26 HB2 ALA 26 32.342 10.047 0.493 194 HB3 ALA 26 HB3 ALA 26 30.850 9.106 0.463 195 H ALA 27 H ALA 27 30.890 8.369 -2.121 196 HA ALA 27 HA ALA 27 33.536 8.246 -3.136 197 HB1 ALA 27 HB1 ALA 27 31.026 6.692 -3.761 198 HB2 ALA 27 HB2 ALA 27 32.401 6.188 -2.777 199 HB3 ALA 27 HB3 ALA 27 32.577 6.343 -4.525 200 H ALA 28 H ALA 28 30.456 9.270 -4.545 201 HA ALA 28 HA ALA 28 31.350 9.381 -7.236 202 HB1 ALA 28 HB1 ALA 28 28.992 9.293 -6.783 203 HB2 ALA 28 HB2 ALA 28 29.330 10.841 -7.557 204 HB3 ALA 28 HB3 ALA 28 29.069 10.764 -5.813 205 H LEU 29 H LEU 29 31.032 11.909 -4.732 206 HA LEU 29 HA LEU 29 32.003 13.965 -6.458 207 HB2 LEU 29 HB2 LEU 29 31.950 15.410 -4.546 208 HB3 LEU 29 HB3 LEU 29 30.519 14.391 -4.525 209 HG LEU 29 HG LEU 29 32.191 12.841 -3.044 210 HD11 LEU 29 HD11 LEU 29 33.727 14.025 -1.769 211 HD12 LEU 29 HD12 LEU 29 32.898 15.565 -1.995 212 HD13 LEU 29 HD13 LEU 29 33.859 14.883 -3.303 213 HD21 LEU 29 HD21 LEU 29 31.123 13.899 -1.021 214 HD22 LEU 29 HD22 LEU 29 29.979 13.479 -2.296 215 HD23 LEU 29 HD23 LEU 29 30.483 15.155 -2.080 216 H SER 30 H SER 30 33.557 11.739 -4.230 217 HA SER 30 HA SER 30 35.977 13.058 -3.802 218 HB2 SER 30 HB2 SER 30 36.910 10.871 -3.320 219 HB3 SER 30 HB3 SER 30 35.265 10.937 -2.696 220 HG SER 30 HG SER 30 34.903 9.343 -3.984 221 H GLU 31 H GLU 31 34.940 11.071 -6.551 222 HA GLU 31 HA GLU 31 37.459 11.134 -7.896 223 HB2 GLU 31 HB2 GLU 31 34.659 10.645 -8.935 224 HB3 GLU 31 HB3 GLU 31 36.134 10.388 -9.866 225 HG2 GLU 31 HG2 GLU 31 36.921 8.796 -8.120 226 HG3 GLU 31 HG3 GLU 31 35.396 9.005 -7.272 227 H THR 32 H THR 32 34.543 13.133 -8.014 228 HA THR 32 HA THR 32 35.372 14.716 -10.243 229 HB THR 32 HB THR 32 33.508 16.180 -9.623 230 HG1 THR 32 HG1 THR 32 32.487 15.828 -7.722 231 HG21 THR 32 HG21 THR 32 32.961 14.145 -10.840 232 HG22 THR 32 HG22 THR 32 31.704 14.450 -9.642 233 HG23 THR 32 HG23 THR 32 32.930 13.218 -9.341 234 H ARG 33 H ARG 33 35.689 15.048 -6.734 235 HA ARG 33 HA ARG 33 36.881 16.527 -5.438 236 HB2 ARG 33 HB2 ARG 33 38.472 16.777 -8.004 237 HB3 ARG 33 HB3 ARG 33 38.999 17.357 -6.423 238 HG2 ARG 33 HG2 ARG 33 38.791 15.043 -5.534 239 HG3 ARG 33 HG3 ARG 33 38.368 14.483 -7.153 240 HD2 ARG 33 HD2 ARG 33 40.552 15.453 -7.966 241 HD3 ARG 33 HD3 ARG 33 40.973 15.756 -6.283 242 HE ARG 33 HE ARG 33 40.190 13.025 -6.814 243 HH11 ARG 33 HH11 ARG 33 42.902 15.255 -6.787 244 HH12 ARG 33 HH12 ARG 33 44.070 13.986 -6.622 245 HH21 ARG 33 HH21 ARG 33 41.738 11.437 -6.597 246 HH22 ARG 33 HH22 ARG 33 43.418 11.852 -6.516 247 H THR 34 H THR 34 34.532 17.559 -6.563 248 HA THR 34 HA THR 34 35.282 20.380 -7.079 249 HB THR 34 HB THR 34 34.485 19.331 -9.152 250 HG1 THR 34 HG1 THR 34 33.815 21.316 -9.184 251 HG21 THR 34 HG21 THR 34 32.948 17.725 -7.720 252 HG22 THR 34 HG22 THR 34 32.471 18.195 -9.351 253 HG23 THR 34 HG23 THR 34 31.756 19.003 -7.956 254 H ILE 35 H ILE 35 33.975 21.958 -6.210 255 HA ILE 35 HA ILE 35 32.759 21.254 -3.720 256 HB ILE 35 HB ILE 35 34.067 23.317 -4.045 257 HG12 ILE 35 HG12 ILE 35 31.201 23.992 -3.358 258 HG13 ILE 35 HG13 ILE 35 32.240 23.052 -2.288 259 HG21 ILE 35 HG21 ILE 35 32.935 23.672 -6.393 260 HG22 ILE 35 HG22 ILE 35 33.410 25.069 -5.427 261 HG23 ILE 35 HG23 ILE 35 31.725 24.549 -5.456 262 HD11 ILE 35 HD11 ILE 35 33.859 24.882 -2.196 263 HD12 ILE 35 HD12 ILE 35 32.267 25.476 -1.725 264 HD13 ILE 35 HD13 ILE 35 32.894 25.820 -3.337 265 H GLU 36 H GLU 36 31.505 21.916 -6.926 266 HA GLU 36 HA GLU 36 28.948 22.841 -6.265 267 HB2 GLU 36 HB2 GLU 36 29.818 21.157 -8.625 268 HB3 GLU 36 HB3 GLU 36 28.277 22.005 -8.506 269 HG2 GLU 36 HG2 GLU 36 29.510 24.146 -8.223 270 HG3 GLU 36 HG3 GLU 36 31.025 23.280 -8.437 271 H GLU 37 H GLU 37 30.108 19.509 -6.728 272 HA GLU 37 HA GLU 37 27.592 18.313 -6.065 273 HB2 GLU 37 HB2 GLU 37 30.394 17.173 -6.086 274 HB3 GLU 37 HB3 GLU 37 28.924 16.220 -5.878 275 HG2 GLU 37 HG2 GLU 37 28.089 17.087 -8.056 276 HG3 GLU 37 HG3 GLU 37 29.609 17.941 -8.275 277 H LEU 38 H LEU 38 30.484 19.187 -4.235 278 HA LEU 38 HA LEU 38 29.908 17.864 -1.832 279 HB2 LEU 38 HB2 LEU 38 32.067 18.983 -2.392 280 HB3 LEU 38 HB3 LEU 38 31.280 20.542 -2.146 281 HG LEU 38 HG LEU 38 30.648 19.723 0.179 282 HD11 LEU 38 HD11 LEU 38 32.213 17.880 1.009 283 HD12 LEU 38 HD12 LEU 38 32.538 17.525 -0.687 284 HD13 LEU 38 HD13 LEU 38 30.902 17.357 -0.048 285 HD21 LEU 38 HD21 LEU 38 32.690 21.185 -0.520 286 HD22 LEU 38 HD22 LEU 38 33.639 19.733 -0.206 287 HD23 LEU 38 HD23 LEU 38 32.693 20.464 1.090 288 H ASP 39 H ASP 39 28.761 20.965 -3.092 289 HA ASP 39 HA ASP 39 27.706 22.077 -0.765 290 HB2 ASP 39 HB2 ASP 39 27.868 23.183 -3.016 291 HB3 ASP 39 HB3 ASP 39 26.456 22.254 -3.512 292 H THR 40 H THR 40 26.220 19.781 -3.033 293 HA THR 40 HA THR 40 23.747 19.593 -1.612 294 HB THR 40 HB THR 40 23.325 17.639 -3.027 295 HG1 THR 40 HG1 THR 40 25.113 16.597 -3.348 296 HG21 THR 40 HG21 THR 40 23.008 19.860 -4.014 297 HG22 THR 40 HG22 THR 40 23.619 18.739 -5.230 298 HG23 THR 40 HG23 THR 40 24.706 19.910 -4.485 299 H PHE 41 H PHE 41 26.804 17.830 -1.493 300 HA PHE 41 HA PHE 41 25.987 15.641 0.063 301 HB2 PHE 41 HB2 PHE 41 28.120 15.677 -1.064 302 HB3 PHE 41 HB3 PHE 41 28.640 17.065 -0.132 303 HD1 PHE 41 HD1 PHE 41 27.329 13.588 0.483 304 HD2 PHE 41 HD2 PHE 41 30.114 16.663 1.592 305 HE1 PHE 41 HE1 PHE 41 28.321 12.079 2.182 306 HE2 PHE 41 HE2 PHE 41 31.106 15.156 3.287 307 HZ PHE 41 HZ PHE 41 30.207 12.867 3.593 308 H LYS 42 H LYS 42 27.365 18.779 1.092 309 HA LYS 42 HA LYS 42 27.437 18.212 3.835 310 HB2 LYS 42 HB2 LYS 42 27.054 20.880 2.459 311 HB3 LYS 42 HB3 LYS 42 27.497 20.663 4.154 312 HG2 LYS 42 HG2 LYS 42 29.480 19.298 3.344 313 HG3 LYS 42 HG3 LYS 42 29.094 19.851 1.714 314 HD2 LYS 42 HD2 LYS 42 29.630 21.690 4.065 315 HD3 LYS 42 HD3 LYS 42 30.822 21.269 2.835 316 HE2 LYS 42 HE2 LYS 42 29.061 22.100 1.129 317 HE3 LYS 42 HE3 LYS 42 28.283 22.865 2.515 318 HZ1 LYS 42 HZ1 LYS 42 29.810 24.454 2.538 319 HZ2 LYS 42 HZ2 LYS 42 30.381 23.861 1.052 320 HZ3 LYS 42 HZ3 LYS 42 31.087 23.337 2.507 321 H LEU 43 H LEU 43 24.841 19.580 1.838 322 HA LEU 43 HA LEU 43 23.024 20.073 3.955 323 HB2 LEU 43 HB2 LEU 43 22.446 19.377 1.063 324 HB3 LEU 43 HB3 LEU 43 21.299 20.087 2.200 325 HG LEU 43 HG LEU 43 23.929 21.366 1.403 326 HD11 LEU 43 HD11 LEU 43 22.706 22.776 -0.064 327 HD12 LEU 43 HD12 LEU 43 21.157 22.265 0.606 328 HD13 LEU 43 HD13 LEU 43 22.092 21.156 -0.396 329 HD21 LEU 43 HD21 LEU 43 21.636 22.127 3.198 330 HD22 LEU 43 HD22 LEU 43 22.588 23.383 2.405 331 HD23 LEU 43 HD23 LEU 43 23.369 22.247 3.505 332 H ASP 44 H ASP 44 23.587 17.236 1.898 333 HA ASP 44 HA ASP 44 21.518 15.624 2.957 334 HB2 ASP 44 HB2 ASP 44 24.174 14.849 1.728 335 HB3 ASP 44 HB3 ASP 44 22.851 13.729 2.051 336 H VAL 45 H VAL 45 24.918 16.056 3.880 337 HA VAL 45 HA VAL 45 24.947 14.127 5.952 338 HB VAL 45 HB VAL 45 26.597 16.649 5.625 339 HG11 VAL 45 HG11 VAL 45 26.831 14.271 7.471 340 HG12 VAL 45 HG12 VAL 45 26.914 15.985 7.875 341 HG13 VAL 45 HG13 VAL 45 28.248 15.217 7.015 342 HG21 VAL 45 HG21 VAL 45 27.512 13.846 5.035 343 HG22 VAL 45 HG22 VAL 45 28.120 15.371 4.394 344 HG23 VAL 45 HG23 VAL 45 26.580 14.728 3.828 345 H ALA 46 H ALA 46 24.129 17.585 5.899 346 HA ALA 46 HA ALA 46 23.876 17.994 8.660 347 HB1 ALA 46 HB1 ALA 46 22.001 19.295 6.709 348 HB2 ALA 46 HB2 ALA 46 23.723 19.673 6.663 349 HB3 ALA 46 HB3 ALA 46 22.790 19.989 8.126 350 H ASP 47 H ASP 47 21.360 17.111 6.280 351 HA ASP 47 HA ASP 47 19.289 16.677 8.142 352 HB2 ASP 47 HB2 ASP 47 19.774 15.413 5.434 353 HB3 ASP 47 HB3 ASP 47 18.268 15.295 6.341 354 H PHE 48 H PHE 48 21.775 14.518 6.836 355 HA PHE 48 HA PHE 48 20.915 12.113 7.991 356 HB2 PHE 48 HB2 PHE 48 22.700 12.345 6.283 357 HB3 PHE 48 HB3 PHE 48 23.748 13.039 7.504 358 HD1 PHE 48 HD1 PHE 48 25.328 11.607 8.405 359 HD2 PHE 48 HD2 PHE 48 21.560 10.006 7.108 360 HE1 PHE 48 HE1 PHE 48 26.085 9.326 9.018 361 HE2 PHE 48 HE2 PHE 48 22.318 7.726 7.730 362 HZ PHE 48 HZ PHE 48 24.578 7.387 8.683 363 H VAL 49 H VAL 49 23.014 14.676 9.273 364 HA VAL 49 HA VAL 49 23.450 13.399 11.795 365 HB VAL 49 HB VAL 49 23.713 16.311 10.992 366 HG11 VAL 49 HG11 VAL 49 23.546 16.020 13.446 367 HG12 VAL 49 HG12 VAL 49 25.173 16.503 12.969 368 HG13 VAL 49 HG13 VAL 49 24.839 14.823 13.387 369 HG21 VAL 49 HG21 VAL 49 25.126 14.415 9.852 370 HG22 VAL 49 HG22 VAL 49 25.970 14.362 11.397 371 HG23 VAL 49 HG23 VAL 49 25.947 15.853 10.457 372 H THR 50 H THR 50 21.075 15.720 10.562 373 HA THR 50 HA THR 50 20.042 16.655 12.972 374 HB THR 50 HB THR 50 18.476 16.137 10.435 375 HG1 THR 50 HG1 THR 50 19.926 18.378 11.220 376 HG21 THR 50 HG21 THR 50 17.181 16.721 12.520 377 HG22 THR 50 HG22 THR 50 17.027 17.901 11.219 378 HG23 THR 50 HG23 THR 50 18.089 18.232 12.588 379 H THR 51 H THR 51 19.091 13.758 11.122 380 HA THR 51 HA THR 51 16.941 13.037 12.806 381 HB THR 51 HB THR 51 17.040 12.011 10.657 382 HG1 THR 51 HG1 THR 51 16.900 9.889 11.314 383 HG21 THR 51 HG21 THR 51 19.419 12.072 10.207 384 HG22 THR 51 HG22 THR 51 18.874 10.402 10.076 385 HG23 THR 51 HG23 THR 51 19.742 10.934 11.514 386 H VAL 52 H VAL 52 20.395 12.290 12.949 387 HA VAL 52 HA VAL 52 20.214 10.394 15.058 388 HB VAL 52 HB VAL 52 22.534 12.194 14.303 389 HG11 VAL 52 HG11 VAL 52 23.839 10.240 15.309 390 HG12 VAL 52 HG12 VAL 52 22.307 9.688 15.986 391 HG13 VAL 52 HG13 VAL 52 22.969 11.253 16.460 392 HG21 VAL 52 HG21 VAL 52 21.764 9.401 13.401 393 HG22 VAL 52 HG22 VAL 52 23.298 10.188 13.029 394 HG23 VAL 52 HG23 VAL 52 21.791 10.853 12.399 395 H VAL 53 H VAL 53 20.758 13.909 14.996 396 HA VAL 53 HA VAL 53 21.185 14.222 17.773 397 HB VAL 53 HB VAL 53 20.058 16.202 15.773 398 HG11 VAL 53 HG11 VAL 53 21.459 16.698 18.417 399 HG12 VAL 53 HG12 VAL 53 19.715 16.804 18.186 400 HG13 VAL 53 HG13 VAL 53 20.786 17.917 17.335 401 HG21 VAL 53 HG21 VAL 53 22.330 15.151 15.273 402 HG22 VAL 53 HG22 VAL 53 22.907 15.914 16.754 403 HG23 VAL 53 HG23 VAL 53 22.319 16.908 15.421 404 H GLN 54 H GLN 54 18.242 14.551 15.786 405 HA GLN 54 HA GLN 54 16.475 15.167 17.890 406 HB2 GLN 54 HB2 GLN 54 15.980 13.758 15.259 407 HB3 GLN 54 HB3 GLN 54 14.704 14.319 16.341 408 HG2 GLN 54 HG2 GLN 54 15.497 16.616 16.150 409 HG3 GLN 54 HG3 GLN 54 16.857 16.096 15.159 410 HE21 GLN 54 HE21 GLN 54 14.959 18.004 14.193 411 HE22 GLN 54 HE22 GLN 54 14.088 17.294 12.921 412 H LEU 55 H LEU 55 17.551 12.064 16.566 413 HA LEU 55 HA LEU 55 15.825 10.395 18.039 414 HB2 LEU 55 HB2 LEU 55 17.234 9.669 16.109 415 HB3 LEU 55 HB3 LEU 55 18.650 9.765 17.157 416 HG LEU 55 HG LEU 55 17.450 8.185 18.741 417 HD11 LEU 55 HD11 LEU 55 15.545 8.233 16.413 418 HD12 LEU 55 HD12 LEU 55 15.187 8.301 18.138 419 HD13 LEU 55 HD13 LEU 55 15.692 6.780 17.401 420 HD21 LEU 55 HD21 LEU 55 18.100 6.224 17.499 421 HD22 LEU 55 HD22 LEU 55 19.213 7.512 17.039 422 HD23 LEU 55 HD23 LEU 55 17.892 7.060 15.961 423 H ALA 56 H ALA 56 18.947 11.850 18.857 424 HA ALA 56 HA ALA 56 19.526 10.408 21.189 425 HB1 ALA 56 HB1 ALA 56 20.957 12.255 21.793 426 HB2 ALA 56 HB2 ALA 56 20.083 13.342 20.714 427 HB3 ALA 56 HB3 ALA 56 21.055 12.031 20.045 428 H GLU 57 H GLU 57 17.593 13.350 20.722 429 HA GLU 57 HA GLU 57 16.993 13.674 23.503 430 HB2 GLU 57 HB2 GLU 57 15.688 14.835 21.033 431 HB3 GLU 57 HB3 GLU 57 15.346 15.343 22.687 432 HG2 GLU 57 HG2 GLU 57 17.753 15.900 22.981 433 HG3 GLU 57 HG3 GLU 57 18.037 15.474 21.299 434 H GLU 58 H GLU 58 15.337 12.170 20.758 435 HA GLU 58 HA GLU 58 12.820 11.891 22.028 436 HB2 GLU 58 HB2 GLU 58 13.212 11.750 19.561 437 HB3 GLU 58 HB3 GLU 58 13.942 10.164 19.816 438 HG2 GLU 58 HG2 GLU 58 11.839 9.404 20.906 439 HG3 GLU 58 HG3 GLU 58 11.114 10.966 20.553 440 H LEU 59 H LEU 59 15.550 9.624 21.662 441 HA LEU 59 HA LEU 59 14.314 7.441 22.962 442 HB2 LEU 59 HB2 LEU 59 17.251 8.153 22.757 443 HB3 LEU 59 HB3 LEU 59 16.622 6.589 23.273 444 HG LEU 59 HG LEU 59 16.029 7.862 20.585 445 HD11 LEU 59 HD11 LEU 59 17.614 6.252 19.664 446 HD12 LEU 59 HD12 LEU 59 17.913 5.585 21.269 447 HD13 LEU 59 HD13 LEU 59 18.430 7.226 20.886 448 HD21 LEU 59 HD21 LEU 59 15.402 5.392 20.129 449 HD22 LEU 59 HD22 LEU 59 14.279 6.345 21.099 450 HD23 LEU 59 HD23 LEU 59 15.380 5.212 21.883 451 H GLU 60 H GLU 60 16.247 10.138 24.193 452 HA GLU 60 HA GLU 60 16.497 9.248 26.854 453 HB2 GLU 60 HB2 GLU 60 17.776 11.135 25.840 454 HB3 GLU 60 HB3 GLU 60 16.308 12.110 25.892 455 HG2 GLU 60 HG2 GLU 60 16.189 11.745 28.350 456 HG3 GLU 60 HG3 GLU 60 17.702 10.854 28.272 457 H HIS 61 H HIS 61 13.902 10.980 25.199 458 HA HIS 61 HA HIS 61 12.480 11.788 27.509 459 HB2 HIS 61 HB2 HIS 61 12.129 12.749 25.273 460 HB3 HIS 61 HB3 HIS 61 11.453 11.226 24.728 461 HD1 HIS 61 HD1 HIS 61 10.763 13.781 27.484 462 HD2 HIS 61 HD2 HIS 61 8.711 11.190 24.943 463 HE1 HIS 61 HE1 HIS 61 8.298 14.168 27.907 464 H ARG 62 H ARG 62 12.147 8.923 25.415 465 HA ARG 62 HA ARG 62 9.769 7.952 26.559 466 HB2 ARG 62 HB2 ARG 62 12.000 6.366 25.270 467 HB3 ARG 62 HB3 ARG 62 10.338 5.824 25.499 468 HG2 ARG 62 HG2 ARG 62 11.115 8.269 23.886 469 HG3 ARG 62 HG3 ARG 62 10.809 6.681 23.184 470 HD2 ARG 62 HD2 ARG 62 8.523 6.733 24.223 471 HD3 ARG 62 HD3 ARG 62 8.842 8.387 24.736 472 HE ARG 62 HE ARG 62 8.511 9.085 22.557 473 HH11 ARG 62 HH11 ARG 62 8.923 5.598 22.542 474 HH12 ARG 62 HH12 ARG 62 8.497 5.455 20.870 475 HH21 ARG 62 HH21 ARG 62 7.971 8.836 20.406 476 HH22 ARG 62 HH22 ARG 62 7.963 7.266 19.677 477 H PHE 63 H PHE 63 13.161 7.159 27.316 478 HA PHE 63 HA PHE 63 12.243 5.477 29.540 479 HB2 PHE 63 HB2 PHE 63 14.988 5.875 28.360 480 HB3 PHE 63 HB3 PHE 63 14.602 4.772 29.668 481 HD1 PHE 63 HD1 PHE 63 14.500 5.356 26.073 482 HD2 PHE 63 HD2 PHE 63 13.175 2.774 29.239 483 HE1 PHE 63 HE1 PHE 63 13.939 3.605 24.409 484 HE2 PHE 63 HE2 PHE 63 12.613 1.022 27.574 485 HZ PHE 63 HZ PHE 63 12.996 1.439 25.160 486 H GLY 64 H GLY 64 13.340 8.679 29.095 487 HA2 GLY 64 HA2 GLY 64 13.784 10.305 30.701 488 HA3 GLY 64 HA3 GLY 64 13.732 9.062 31.940 489 H ARG 65 H ARG 65 15.811 8.087 29.451 490 HA ARG 65 HA ARG 65 18.164 9.509 30.320 491 HB2 ARG 65 HB2 ARG 65 19.344 7.569 31.217 492 HB3 ARG 65 HB3 ARG 65 17.881 7.872 32.150 493 HG2 ARG 65 HG2 ARG 65 16.713 6.146 30.725 494 HG3 ARG 65 HG3 ARG 65 18.282 5.757 30.018 495 HD2 ARG 65 HD2 ARG 65 19.149 5.283 32.311 496 HD3 ARG 65 HD3 ARG 65 17.529 5.555 32.946 497 HE ARG 65 HE ARG 65 16.955 3.449 32.206 498 HH11 ARG 65 HH11 ARG 65 19.824 4.449 30.448 499 HH12 ARG 65 HH12 ARG 65 20.004 2.913 29.668 500 HH21 ARG 65 HH21 ARG 65 17.236 1.493 31.171 501 HH22 ARG 65 HH22 ARG 65 18.556 1.259 30.075 502 H ASN 66 H ASN 66 20.066 8.915 29.079 503 HA ASN 66 HA ASN 66 19.500 7.295 26.670 504 HB2 ASN 66 HB2 ASN 66 19.348 9.809 26.268 505 HB3 ASN 66 HB3 ASN 66 21.074 9.868 26.607 506 HD21 ASN 66 HD21 ASN 66 20.365 10.665 24.083 507 HD22 ASN 66 HD22 ASN 66 20.747 9.472 22.937 508 H ARG 67 H ARG 67 21.041 5.840 26.225 509 HA ARG 67 HA ARG 67 23.155 5.285 27.940 510 HB2 ARG 67 HB2 ARG 67 24.046 3.860 26.098 511 HB3 ARG 67 HB3 ARG 67 22.339 3.595 26.439 512 HG2 ARG 67 HG2 ARG 67 21.783 5.163 24.557 513 HG3 ARG 67 HG3 ARG 67 23.500 5.224 24.167 514 HD2 ARG 67 HD2 ARG 67 21.772 2.738 24.199 515 HD3 ARG 67 HD3 ARG 67 22.385 3.555 22.765 516 HE ARG 67 HE ARG 67 23.865 1.806 24.539 517 HH11 ARG 67 HH11 ARG 67 24.146 4.331 22.116 518 HH12 ARG 67 HH12 ARG 67 25.765 3.883 21.694 519 HH21 ARG 67 HH21 ARG 67 25.950 1.276 23.952 520 HH22 ARG 67 HH22 ARG 67 26.773 2.174 22.721 521 H ARG 68 H ARG 68 23.124 7.371 25.075 522 HA ARG 68 HA ARG 68 25.877 8.215 25.752 523 HB2 ARG 68 HB2 ARG 68 24.209 8.854 23.303 524 HB3 ARG 68 HB3 ARG 68 25.867 9.378 23.583 525 HG2 ARG 68 HG2 ARG 68 25.002 6.479 23.448 526 HG3 ARG 68 HG3 ARG 68 25.691 7.370 22.096 527 HD2 ARG 68 HD2 ARG 68 27.714 7.828 23.504 528 HD3 ARG 68 HD3 ARG 68 27.032 6.786 24.749 529 HE ARG 68 HE ARG 68 27.291 5.608 22.095 530 HH11 ARG 68 HH11 ARG 68 28.724 5.970 25.276 531 HH12 ARG 68 HH12 ARG 68 29.699 4.550 25.110 532 HH21 ARG 68 HH21 ARG 68 28.569 3.784 21.937 533 HH22 ARG 68 HH22 ARG 68 29.614 3.328 23.240 534 H GLY 69 H GLY 69 26.261 10.232 26.533 535 HA2 GLY 69 HA2 GLY 69 24.021 11.751 27.526 536 HA3 GLY 69 HA3 GLY 69 25.726 12.155 27.715 537 H ARG 70 H ARG 70 23.569 13.967 27.019 538 HA ARG 70 HA ARG 70 23.340 14.538 24.302 539 HB2 ARG 70 HB2 ARG 70 23.350 16.432 26.659 540 HB3 ARG 70 HB3 ARG 70 22.844 16.871 25.028 541 HG2 ARG 70 HG2 ARG 70 21.139 15.050 25.109 542 HG3 ARG 70 HG3 ARG 70 21.594 14.742 26.786 543 HD2 ARG 70 HD2 ARG 70 21.073 17.144 27.301 544 HD3 ARG 70 HD3 ARG 70 20.460 17.314 25.659 545 HE ARG 70 HE ARG 70 19.291 15.169 27.256 546 HH11 ARG 70 HH11 ARG 70 18.956 18.468 26.098 547 HH12 ARG 70 HH12 ARG 70 17.248 18.498 26.379 548 HH21 ARG 70 HH21 ARG 70 17.091 15.269 27.597 549 HH22 ARG 70 HH22 ARG 70 16.206 16.709 27.219 550 H THR 71 H THR 71 25.876 15.445 26.588 551 HA THR 71 HA THR 71 27.229 17.314 24.978 552 HB THR 71 HB THR 71 29.159 16.890 26.424 553 HG1 THR 71 HG1 THR 71 29.244 15.117 27.576 554 HG21 THR 71 HG21 THR 71 26.609 16.712 28.045 555 HG22 THR 71 HG22 THR 71 27.150 18.187 27.245 556 HG23 THR 71 HG23 THR 71 28.130 17.467 28.521 557 H GLU 72 H GLU 72 27.383 13.786 25.080 558 HA GLU 72 HA GLU 72 29.767 13.505 23.583 559 HB2 GLU 72 HB2 GLU 72 27.435 11.617 23.959 560 HB3 GLU 72 HB3 GLU 72 28.973 11.172 23.215 561 HG2 GLU 72 HG2 GLU 72 30.154 11.871 25.284 562 HG3 GLU 72 HG3 GLU 72 28.602 12.237 26.027 563 H ILE 73 H ILE 73 26.339 13.550 22.580 564 HA ILE 73 HA ILE 73 26.856 13.040 19.843 565 HB ILE 73 HB ILE 73 24.531 14.548 21.064 566 HG12 ILE 73 HG12 ILE 73 23.604 12.028 20.437 567 HG13 ILE 73 HG13 ILE 73 25.247 11.655 20.927 568 HG21 ILE 73 HG21 ILE 73 23.441 13.507 18.918 569 HG22 ILE 73 HG22 ILE 73 25.102 13.437 18.331 570 HG23 ILE 73 HG23 ILE 73 24.390 14.987 18.776 571 HD11 ILE 73 HD11 ILE 73 22.951 12.512 22.536 572 HD12 ILE 73 HD12 ILE 73 24.428 13.401 22.912 573 HD13 ILE 73 HD13 ILE 73 24.404 11.644 23.021 574 H TYR 74 H TYR 74 26.701 16.044 21.724 575 HA TYR 74 HA TYR 74 26.779 17.818 19.521 576 HB2 TYR 74 HB2 TYR 74 27.770 18.218 22.345 577 HB3 TYR 74 HB3 TYR 74 27.541 19.494 21.167 578 HD1 TYR 74 HD1 TYR 74 24.950 18.675 19.937 579 HD2 TYR 74 HD2 TYR 74 26.231 18.694 24.038 580 HE1 TYR 74 HE1 TYR 74 22.592 18.898 20.673 581 HE2 TYR 74 HE2 TYR 74 23.873 18.913 24.772 582 HH TYR 74 HH TYR 74 21.767 19.263 24.051 583 H LYS 75 H LYS 75 29.355 16.352 21.477 584 HA LYS 75 HA LYS 75 31.467 17.899 20.385 585 HB2 LYS 75 HB2 LYS 75 31.582 16.659 22.540 586 HB3 LYS 75 HB3 LYS 75 31.625 15.149 21.631 587 HG2 LYS 75 HG2 LYS 75 33.673 15.943 20.459 588 HG3 LYS 75 HG3 LYS 75 33.651 17.399 21.456 589 HD2 LYS 75 HD2 LYS 75 33.755 15.938 23.492 590 HD3 LYS 75 HD3 LYS 75 33.955 14.545 22.428 591 HE2 LYS 75 HE2 LYS 75 35.931 15.859 21.400 592 HE3 LYS 75 HE3 LYS 75 35.833 16.867 22.843 593 HZ1 LYS 75 HZ1 LYS 75 36.142 13.914 22.840 594 HZ2 LYS 75 HZ2 LYS 75 36.115 14.919 24.210 595 HZ3 LYS 75 HZ3 LYS 75 37.397 15.025 23.102 596 H ILE 76 H ILE 76 30.300 14.617 19.623 597 HA ILE 76 HA ILE 76 32.341 14.001 17.779 598 HB ILE 76 HB ILE 76 29.521 12.904 17.928 599 HG12 ILE 76 HG12 ILE 76 32.087 11.783 19.083 600 HG13 ILE 76 HG13 ILE 76 30.964 12.764 20.023 601 HG21 ILE 76 HG21 ILE 76 30.574 10.903 16.853 602 HG22 ILE 76 HG22 ILE 76 32.057 11.835 16.645 603 HG23 ILE 76 HG23 ILE 76 30.585 12.322 15.805 604 HD11 ILE 76 HD11 ILE 76 30.492 10.380 20.367 605 HD12 ILE 76 HD12 ILE 76 30.306 10.153 18.629 606 HD13 ILE 76 HD13 ILE 76 29.152 11.146 19.517 607 H VAL 77 H VAL 77 29.175 15.535 17.347 608 HA VAL 77 HA VAL 77 29.075 15.470 14.544 609 HB VAL 77 HB VAL 77 27.970 17.530 16.471 610 HG11 VAL 77 HG11 VAL 77 27.476 17.048 13.528 611 HG12 VAL 77 HG12 VAL 77 27.884 18.564 14.333 612 HG13 VAL 77 HG13 VAL 77 26.286 17.850 14.553 613 HG21 VAL 77 HG21 VAL 77 26.094 16.186 16.677 614 HG22 VAL 77 HG22 VAL 77 27.331 14.944 16.495 615 HG23 VAL 77 HG23 VAL 77 26.341 15.407 15.116 616 H LYS 78 H LYS 78 30.580 17.818 16.749 617 HA LYS 78 HA LYS 78 31.476 19.611 14.750 618 HB2 LYS 78 HB2 LYS 78 31.416 20.124 17.194 619 HB3 LYS 78 HB3 LYS 78 32.790 19.038 17.413 620 HG2 LYS 78 HG2 LYS 78 34.097 20.400 15.795 621 HG3 LYS 78 HG3 LYS 78 32.737 21.516 15.668 622 HD2 LYS 78 HD2 LYS 78 32.883 21.889 18.143 623 HD3 LYS 78 HD3 LYS 78 34.344 20.900 18.162 624 HE2 LYS 78 HE2 LYS 78 35.579 22.463 16.936 625 HE3 LYS 78 HE3 LYS 78 34.137 23.218 16.261 626 HZ1 LYS 78 HZ1 LYS 78 34.154 24.668 17.912 627 HZ2 LYS 78 HZ2 LYS 78 35.555 23.951 18.551 628 HZ3 LYS 78 HZ3 LYS 78 34.022 23.419 19.051 629 H GLU 79 H GLU 79 32.907 16.688 16.154 630 HA GLU 79 HA GLU 79 35.486 16.989 15.046 631 HB2 GLU 79 HB2 GLU 79 33.971 14.482 15.809 632 HB3 GLU 79 HB3 GLU 79 35.692 14.539 15.432 633 HG2 GLU 79 HG2 GLU 79 34.336 16.108 17.643 634 HG3 GLU 79 HG3 GLU 79 35.282 14.643 17.874 635 H VAL 80 H VAL 80 32.627 15.217 13.856 636 HA VAL 80 HA VAL 80 33.880 14.455 11.403 637 HB VAL 80 HB VAL 80 31.975 13.215 12.339 638 HG11 VAL 80 HG11 VAL 80 29.713 14.149 12.203 639 HG12 VAL 80 HG12 VAL 80 30.360 15.669 11.589 640 HG13 VAL 80 HG13 VAL 80 30.729 15.151 13.236 641 HG21 VAL 80 HG21 VAL 80 30.706 12.979 10.234 642 HG22 VAL 80 HG22 VAL 80 32.437 13.091 9.919 643 HG23 VAL 80 HG23 VAL 80 31.399 14.491 9.647 644 H ASP 81 H ASP 81 31.857 17.184 12.396 645 HA ASP 81 HA ASP 81 31.415 18.317 9.865 646 HB2 ASP 81 HB2 ASP 81 30.338 19.032 12.017 647 HB3 ASP 81 HB3 ASP 81 31.852 19.822 12.450 648 H ARG 82 H ARG 82 34.134 18.641 12.120 649 HA ARG 82 HA ARG 82 35.527 20.671 10.776 650 HB2 ARG 82 HB2 ARG 82 36.075 19.851 13.056 651 HB3 ARG 82 HB3 ARG 82 36.679 18.354 12.352 652 HG2 ARG 82 HG2 ARG 82 38.607 19.696 12.679 653 HG3 ARG 82 HG3 ARG 82 38.255 19.834 10.958 654 HD2 ARG 82 HD2 ARG 82 37.052 21.963 11.397 655 HD3 ARG 82 HD3 ARG 82 37.466 21.826 13.102 656 HE ARG 82 HE ARG 82 39.183 22.718 10.987 657 HH11 ARG 82 HH11 ARG 82 39.209 21.081 14.092 658 HH12 ARG 82 HH12 ARG 82 40.854 21.513 14.419 659 HH21 ARG 82 HH21 ARG 82 41.298 23.244 11.461 660 HH22 ARG 82 HH22 ARG 82 42.021 22.723 12.947 661 H LYS 83 H LYS 83 35.624 17.139 10.391 662 HA LYS 83 HA LYS 83 37.635 17.084 8.405 663 HB2 LYS 83 HB2 LYS 83 35.341 15.142 8.779 664 HB3 LYS 83 HB3 LYS 83 36.840 14.836 7.903 665 HG2 LYS 83 HG2 LYS 83 36.671 15.505 10.856 666 HG3 LYS 83 HG3 LYS 83 36.880 13.881 10.200 667 HD2 LYS 83 HD2 LYS 83 38.968 14.691 9.050 668 HD3 LYS 83 HD3 LYS 83 38.791 16.216 9.917 669 HE2 LYS 83 HE2 LYS 83 38.649 14.715 12.044 670 HE3 LYS 83 HE3 LYS 83 39.392 13.485 11.022 671 HZ1 LYS 83 HZ1 LYS 83 41.143 14.634 12.067 672 HZ2 LYS 83 HZ2 LYS 83 40.466 16.155 11.728 673 HZ3 LYS 83 HZ3 LYS 83 41.110 15.209 10.471 674 H LEU 84 H LEU 84 34.102 17.367 8.198 675 HA LEU 84 HA LEU 84 33.888 17.274 5.391 676 HB2 LEU 84 HB2 LEU 84 32.195 18.728 7.437 677 HB3 LEU 84 HB3 LEU 84 31.754 18.528 5.742 678 HG LEU 84 HG LEU 84 32.394 16.194 7.561 679 HD11 LEU 84 HD11 LEU 84 30.131 15.970 8.093 680 HD12 LEU 84 HD12 LEU 84 29.608 16.957 6.727 681 HD13 LEU 84 HD13 LEU 84 30.331 17.721 8.141 682 HD21 LEU 84 HD21 LEU 84 32.604 15.621 5.236 683 HD22 LEU 84 HD22 LEU 84 31.141 16.511 4.820 684 HD23 LEU 84 HD23 LEU 84 31.030 15.016 5.750 685 H LEU 85 H LEU 85 34.442 19.991 7.613 686 HA LEU 85 HA LEU 85 34.551 21.997 5.598 687 HB2 LEU 85 HB2 LEU 85 35.818 21.913 8.348 688 HB3 LEU 85 HB3 LEU 85 35.696 23.349 7.332 689 HG LEU 85 HG LEU 85 33.310 21.720 8.251 690 HD11 LEU 85 HD11 LEU 85 32.944 23.351 9.945 691 HD12 LEU 85 HD12 LEU 85 34.157 24.437 9.267 692 HD13 LEU 85 HD13 LEU 85 34.657 22.947 10.067 693 HD21 LEU 85 HD21 LEU 85 32.738 22.908 6.272 694 HD22 LEU 85 HD22 LEU 85 33.683 24.319 6.751 695 HD23 LEU 85 HD23 LEU 85 32.177 23.941 7.588 696 H ASP 86 H ASP 86 37.014 19.948 7.127 697 HA ASP 86 HA ASP 86 39.279 21.074 5.903 698 HB2 ASP 86 HB2 ASP 86 38.741 18.217 6.747 699 HB3 ASP 86 HB3 ASP 86 40.325 18.846 6.298 700 H LEU 87 H LEU 87 37.069 18.517 4.814 701 HA LEU 87 HA LEU 87 38.379 17.887 2.397 702 HB2 LEU 87 HB2 LEU 87 36.536 16.548 3.409 703 HB3 LEU 87 HB3 LEU 87 35.404 17.825 2.964 704 HG LEU 87 HG LEU 87 36.205 17.543 0.565 705 HD11 LEU 87 HD11 LEU 87 38.294 16.406 0.901 706 HD12 LEU 87 HD12 LEU 87 37.211 15.252 0.123 707 HD13 LEU 87 HD13 LEU 87 37.521 15.140 1.855 708 HD21 LEU 87 HD21 LEU 87 34.069 16.619 1.272 709 HD22 LEU 87 HD22 LEU 87 34.869 15.220 1.988 710 HD23 LEU 87 HD23 LEU 87 34.875 15.440 0.238 711 H THR 88 H THR 88 35.955 20.353 3.203 712 HA THR 88 HA THR 88 35.416 21.280 0.614 713 HB THR 88 HB THR 88 35.541 22.939 3.144 714 HG1 THR 88 HG1 THR 88 33.774 21.968 3.650 715 HG21 THR 88 HG21 THR 88 35.330 24.161 0.963 716 HG22 THR 88 HG22 THR 88 33.929 24.357 2.017 717 HG23 THR 88 HG23 THR 88 33.854 23.248 0.647 718 H ASP 89 H ASP 89 37.942 22.232 2.921 719 HA ASP 89 HA ASP 89 39.140 24.246 1.360 720 HB2 ASP 89 HB2 ASP 89 40.369 22.359 3.383 721 HB3 ASP 89 HB3 ASP 89 41.166 23.790 2.733 722 H ALA 90 H ALA 90 39.659 20.740 1.475 723 HA ALA 90 HA ALA 90 41.830 20.660 -0.343 724 HB1 ALA 90 HB1 ALA 90 39.833 18.661 0.662 725 HB2 ALA 90 HB2 ALA 90 41.584 18.694 0.873 726 HB3 ALA 90 HB3 ALA 90 40.892 18.235 -0.684 727 H VAL 91 H VAL 91 38.316 20.473 -0.788 728 HA VAL 91 HA VAL 91 38.366 19.872 -3.555 729 HB VAL 91 HB VAL 91 36.260 21.299 -1.906 730 HG11 VAL 91 HG11 VAL 91 35.817 21.751 -4.230 731 HG12 VAL 91 HG12 VAL 91 34.725 20.458 -3.734 732 HG13 VAL 91 HG13 VAL 91 36.165 20.080 -4.678 733 HG21 VAL 91 HG21 VAL 91 36.116 18.444 -2.836 734 HG22 VAL 91 HG22 VAL 91 35.345 19.205 -1.446 735 HG23 VAL 91 HG23 VAL 91 37.068 18.834 -1.406 736 H LEU 92 H LEU 92 38.098 22.973 -1.803 737 HA LEU 92 HA LEU 92 38.126 24.629 -4.100 738 HB2 LEU 92 HB2 LEU 92 39.097 25.201 -1.287 739 HB3 LEU 92 HB3 LEU 92 38.823 26.418 -2.533 740 HG LEU 92 HG LEU 92 36.688 24.519 -1.521 741 HD11 LEU 92 HD11 LEU 92 36.946 27.474 -0.927 742 HD12 LEU 92 HD12 LEU 92 37.593 26.239 0.153 743 HD13 LEU 92 HD13 LEU 92 35.861 26.307 -0.172 744 HD21 LEU 92 HD21 LEU 92 36.053 25.229 -3.677 745 HD22 LEU 92 HD22 LEU 92 36.769 26.826 -3.460 746 HD23 LEU 92 HD23 LEU 92 35.273 26.410 -2.624 747 H ALA 93 H ALA 93 40.708 23.355 -2.042 748 HA ALA 93 HA ALA 93 42.831 24.718 -3.374 749 HB1 ALA 93 HB1 ALA 93 44.279 23.495 -1.981 750 HB2 ALA 93 HB2 ALA 93 43.128 22.170 -1.802 751 HB3 ALA 93 HB3 ALA 93 42.820 23.718 -1.016 752 H LYS 94 H LYS 94 41.056 21.847 -4.175 753 HA LYS 94 HA LYS 94 41.313 20.265 -5.809 754 HB2 LYS 94 HB2 LYS 94 43.341 22.180 -6.999 755 HB3 LYS 94 HB3 LYS 94 42.515 20.867 -7.829 756 HG2 LYS 94 HG2 LYS 94 41.117 23.242 -6.571 757 HG3 LYS 94 HG3 LYS 94 41.483 23.089 -8.289 758 HD2 LYS 94 HD2 LYS 94 40.165 20.949 -8.311 759 HD3 LYS 94 HD3 LYS 94 39.682 21.287 -6.649 760 HE2 LYS 94 HE2 LYS 94 38.958 23.616 -7.626 761 HE3 LYS 94 HE3 LYS 94 38.947 22.753 -9.165 762 HZ1 LYS 94 HZ1 LYS 94 36.803 22.507 -8.328 763 HZ2 LYS 94 HZ2 LYS 94 37.343 22.213 -6.744 764 HZ3 LYS 94 HZ3 LYS 94 37.556 21.034 -7.949 765 H GLU 95 H GLU 95 42.416 19.420 -3.678 766 HA GLU 95 HA GLU 95 45.168 19.295 -3.341 767 HB2 GLU 95 HB2 GLU 95 43.457 18.579 -1.674 768 HB3 GLU 95 HB3 GLU 95 43.187 17.122 -2.631 769 HG2 GLU 95 HG2 GLU 95 44.756 16.545 -0.903 770 HG3 GLU 95 HG3 GLU 95 45.654 16.627 -2.415 771 H LYS 96 H LYS 96 46.718 18.470 -4.546 772 HA LYS 96 HA LYS 96 46.284 16.866 -6.834 773 HB2 LYS 96 HB2 LYS 96 48.854 17.247 -5.281 774 HB3 LYS 96 HB3 LYS 96 48.712 16.692 -6.948 775 HG2 LYS 96 HG2 LYS 96 47.785 19.398 -5.939 776 HG3 LYS 96 HG3 LYS 96 49.292 19.107 -6.808 777 HD2 LYS 96 HD2 LYS 96 47.932 18.163 -8.705 778 HD3 LYS 96 HD3 LYS 96 46.478 18.686 -7.851 779 HE2 LYS 96 HE2 LYS 96 48.748 20.537 -8.626 780 HE3 LYS 96 HE3 LYS 96 47.263 20.343 -9.557 781 HZ1 LYS 96 HZ1 LYS 96 46.970 22.199 -8.141 782 HZ2 LYS 96 HZ2 LYS 96 47.536 21.350 -6.782 783 HZ3 LYS 96 HZ3 LYS 96 46.043 20.940 -7.481 784 H LYS 97 H LYS 97 47.162 16.066 -3.509 785 HA LYS 97 HA LYS 97 47.885 13.355 -4.060 786 HB2 LYS 97 HB2 LYS 97 47.100 14.728 -1.481 787 HB3 LYS 97 HB3 LYS 97 47.763 13.097 -1.588 788 HG2 LYS 97 HG2 LYS 97 49.777 14.033 -2.728 789 HG3 LYS 97 HG3 LYS 97 49.127 15.654 -2.475 790 HD2 LYS 97 HD2 LYS 97 49.069 15.200 -0.017 791 HD3 LYS 97 HD3 LYS 97 49.856 13.651 -0.321 792 HE2 LYS 97 HE2 LYS 97 51.695 15.000 0.143 793 HE3 LYS 97 HE3 LYS 97 51.613 15.133 -1.614 794 HZ1 LYS 97 HZ1 LYS 97 51.822 17.310 -0.717 795 HZ2 LYS 97 HZ2 LYS 97 50.555 17.053 0.385 796 HZ3 LYS 97 HZ3 LYS 97 50.230 17.150 -1.280 797 H GLY 98 H GLY 98 46.394 12.032 -4.930 798 HA2 GLY 98 HA2 GLY 98 43.608 12.119 -4.432 799 HA3 GLY 98 HA3 GLY 98 44.485 10.764 -5.137 800 H GLU 99 H GLU 99 46.256 10.362 -2.887 801 HA GLU 99 HA GLU 99 44.796 8.461 -1.457 802 HB2 GLU 99 HB2 GLU 99 47.286 8.546 -1.661 803 HB3 GLU 99 HB3 GLU 99 47.292 9.877 -0.502 804 HG2 GLU 99 HG2 GLU 99 46.117 8.413 1.133 805 HG3 GLU 99 HG3 GLU 99 46.225 7.084 -0.011 806 H ASP 100 H ASP 100 45.497 11.847 -0.673 807 HA ASP 100 HA ASP 100 44.573 11.848 1.977 808 HB2 ASP 100 HB2 ASP 100 44.557 14.035 -0.109 809 HB3 ASP 100 HB3 ASP 100 44.150 14.294 1.583 810 H ILE 101 H ILE 101 42.827 12.248 -1.083 811 HA ILE 101 HA ILE 101 40.316 12.936 -0.036 812 HB ILE 101 HB ILE 101 40.904 11.247 -2.479 813 HG12 ILE 101 HG12 ILE 101 42.135 13.388 -2.505 814 HG13 ILE 101 HG13 ILE 101 40.875 13.353 -3.727 815 HG21 ILE 101 HG21 ILE 101 38.552 11.163 -1.876 816 HG22 ILE 101 HG22 ILE 101 38.744 12.196 -3.292 817 HG23 ILE 101 HG23 ILE 101 38.499 12.917 -1.702 818 HD11 ILE 101 HD11 ILE 101 41.252 15.248 -1.610 819 HD12 ILE 101 HD12 ILE 101 39.706 14.444 -1.351 820 HD13 ILE 101 HD13 ILE 101 40.032 15.254 -2.880 821 H LEU 102 H LEU 102 41.654 9.721 -0.823 822 HA LEU 102 HA LEU 102 39.364 8.258 -0.055 823 HB2 LEU 102 HB2 LEU 102 42.259 7.371 -0.080 824 HB3 LEU 102 HB3 LEU 102 40.852 6.308 -0.059 825 HG LEU 102 HG LEU 102 41.456 8.321 -2.247 826 HD11 LEU 102 HD11 LEU 102 42.986 6.235 -1.971 827 HD12 LEU 102 HD12 LEU 102 42.275 6.538 -3.556 828 HD13 LEU 102 HD13 LEU 102 41.573 5.318 -2.494 829 HD21 LEU 102 HD21 LEU 102 39.118 7.973 -2.237 830 HD22 LEU 102 HD22 LEU 102 39.284 6.279 -1.777 831 HD23 LEU 102 HD23 LEU 102 39.703 6.794 -3.410 832 H ASN 103 H ASN 103 42.327 9.082 1.743 833 HA ASN 103 HA ASN 103 41.630 7.643 4.088 834 HB2 ASN 103 HB2 ASN 103 43.507 9.975 3.666 835 HB3 ASN 103 HB3 ASN 103 43.363 9.089 5.180 836 HD21 ASN 103 HD21 ASN 103 45.824 9.135 3.754 837 HD22 ASN 103 HD22 ASN 103 46.133 7.580 3.151 838 H MET 104 H MET 104 41.124 11.008 3.092 839 HA MET 104 HA MET 104 40.189 11.933 5.603 840 HB2 MET 104 HB2 MET 104 40.995 13.343 3.650 841 HB3 MET 104 HB3 MET 104 39.414 13.068 2.915 842 HG2 MET 104 HG2 MET 104 38.364 13.963 5.020 843 HG3 MET 104 HG3 MET 104 39.979 14.394 5.580 844 HE1 MET 104 HE1 MET 104 41.264 16.955 3.094 845 HE2 MET 104 HE2 MET 104 41.389 15.235 2.735 846 HE3 MET 104 HE3 MET 104 41.594 15.801 4.391 847 H VAL 105 H VAL 105 38.481 10.727 2.724 848 HA VAL 105 HA VAL 105 35.868 11.237 3.635 849 HB VAL 105 HB VAL 105 36.875 9.095 1.743 850 HG11 VAL 105 HG11 VAL 105 34.105 10.058 2.444 851 HG12 VAL 105 HG12 VAL 105 34.688 8.401 2.281 852 HG13 VAL 105 HG13 VAL 105 34.452 9.398 0.845 853 HG21 VAL 105 HG21 VAL 105 36.658 10.650 0.028 854 HG22 VAL 105 HG22 VAL 105 37.206 11.693 1.338 855 HG23 VAL 105 HG23 VAL 105 35.498 11.634 0.918 856 H ALA 106 H ALA 106 38.010 8.447 4.087 857 HA ALA 106 HA ALA 106 36.141 6.690 5.234 858 HB1 ALA 106 HB1 ALA 106 38.140 5.658 4.669 859 HB2 ALA 106 HB2 ALA 106 38.321 5.816 6.416 860 HB3 ALA 106 HB3 ALA 106 39.122 6.960 5.339 861 H GLU 107 H GLU 107 38.167 9.210 6.691 862 HA GLU 107 HA GLU 107 37.568 8.587 9.391 863 HB2 GLU 107 HB2 GLU 107 38.389 11.205 8.118 864 HB3 GLU 107 HB3 GLU 107 38.360 10.895 9.855 865 HG2 GLU 107 HG2 GLU 107 39.992 9.344 7.826 866 HG3 GLU 107 HG3 GLU 107 40.626 10.580 8.905 867 H ILE 108 H ILE 108 36.004 10.688 7.011 868 HA ILE 108 HA ILE 108 34.217 12.003 8.731 869 HB ILE 108 HB ILE 108 33.801 11.204 5.835 870 HG12 ILE 108 HG12 ILE 108 34.776 13.853 6.923 871 HG13 ILE 108 HG13 ILE 108 35.890 12.580 6.446 872 HG21 ILE 108 HG21 ILE 108 31.740 11.940 7.066 873 HG22 ILE 108 HG22 ILE 108 32.202 13.038 5.765 874 HG23 ILE 108 HG23 ILE 108 32.557 13.457 7.441 875 HD11 ILE 108 HD11 ILE 108 35.766 13.631 4.422 876 HD12 ILE 108 HD12 ILE 108 34.186 14.330 4.763 877 HD13 ILE 108 HD13 ILE 108 34.313 12.652 4.234 878 H LYS 109 H LYS 109 33.809 9.008 6.845 879 HA LYS 109 HA LYS 109 31.195 8.423 7.744 880 HB2 LYS 109 HB2 LYS 109 33.369 6.552 6.776 881 HB3 LYS 109 HB3 LYS 109 31.662 6.140 6.930 882 HG2 LYS 109 HG2 LYS 109 31.150 8.069 5.374 883 HG3 LYS 109 HG3 LYS 109 32.886 8.216 5.096 884 HD2 LYS 109 HD2 LYS 109 31.286 5.684 4.625 885 HD3 LYS 109 HD3 LYS 109 31.742 6.825 3.360 886 HE2 LYS 109 HE2 LYS 109 34.172 6.467 4.353 887 HE3 LYS 109 HE3 LYS 109 33.475 4.957 4.941 888 HZ1 LYS 109 HZ1 LYS 109 33.390 4.114 2.892 889 HZ2 LYS 109 HZ2 LYS 109 34.488 5.340 2.473 890 HZ3 LYS 109 HZ3 LYS 109 32.825 5.556 2.201 891 H ALA 110 H ALA 110 34.382 7.633 9.045 892 HA ALA 110 HA ALA 110 33.508 5.648 10.877 893 HB1 ALA 110 HB1 ALA 110 35.993 7.322 10.624 894 HB2 ALA 110 HB2 ALA 110 35.797 5.588 10.374 895 HB3 ALA 110 HB3 ALA 110 35.758 6.253 12.007 896 H LEU 111 H LEU 111 34.128 9.132 11.233 897 HA LEU 111 HA LEU 111 33.634 9.172 14.045 898 HB2 LEU 111 HB2 LEU 111 33.585 11.418 12.016 899 HB3 LEU 111 HB3 LEU 111 33.592 11.626 13.766 900 HG LEU 111 HG LEU 111 35.744 10.143 12.231 901 HD11 LEU 111 HD11 LEU 111 37.122 12.180 12.759 902 HD12 LEU 111 HD12 LEU 111 35.642 12.985 13.282 903 HD13 LEU 111 HD13 LEU 111 35.827 12.482 11.601 904 HD21 LEU 111 HD21 LEU 111 35.762 9.371 14.463 905 HD22 LEU 111 HD22 LEU 111 35.332 10.956 15.107 906 HD23 LEU 111 HD23 LEU 111 36.952 10.673 14.469 907 H LEU 112 H LEU 112 31.627 9.709 11.191 908 HA LEU 112 HA LEU 112 29.439 10.854 12.648 909 HB2 LEU 112 HB2 LEU 112 30.109 10.973 10.083 910 HB3 LEU 112 HB3 LEU 112 29.056 9.565 9.977 911 HG LEU 112 HG LEU 112 28.242 12.188 11.252 912 HD11 LEU 112 HD11 LEU 112 27.364 11.160 8.552 913 HD12 LEU 112 HD12 LEU 112 28.751 12.232 8.737 914 HD13 LEU 112 HD13 LEU 112 27.147 12.774 9.230 915 HD21 LEU 112 HD21 LEU 112 25.932 11.005 10.614 916 HD22 LEU 112 HD22 LEU 112 26.759 10.642 12.126 917 HD23 LEU 112 HD23 LEU 112 26.917 9.548 10.755 918 H ILE 113 H ILE 113 30.199 7.607 11.436 919 HA ILE 113 HA ILE 113 27.617 6.530 11.755 920 HB ILE 113 HB ILE 113 29.386 5.511 10.366 921 HG12 ILE 113 HG12 ILE 113 28.435 3.621 12.531 922 HG13 ILE 113 HG13 ILE 113 27.388 4.237 11.253 923 HG21 ILE 113 HG21 ILE 113 31.070 4.056 11.534 924 HG22 ILE 113 HG22 ILE 113 30.588 4.806 13.055 925 HG23 ILE 113 HG23 ILE 113 31.324 5.781 11.784 926 HD11 ILE 113 HD11 ILE 113 28.107 2.261 10.278 927 HD12 ILE 113 HD12 ILE 113 29.680 2.320 11.070 928 HD13 ILE 113 HD13 ILE 113 29.350 3.364 9.687 929 H ASN 114 H ASN 114 30.184 7.021 14.088 930 HA ASN 114 HA ASN 114 29.070 5.092 15.946 931 HB2 ASN 114 HB2 ASN 114 30.922 5.777 17.412 932 HB3 ASN 114 HB3 ASN 114 31.476 5.324 15.802 933 HD21 ASN 114 HD21 ASN 114 33.345 6.668 15.715 934 HD22 ASN 114 HD22 ASN 114 33.271 8.363 15.775 935 H ILE 115 H ILE 115 28.091 8.183 15.221 936 HA ILE 115 HA ILE 115 27.778 9.342 17.787 937 HB ILE 115 HB ILE 115 26.049 9.741 15.329 938 HG12 ILE 115 HG12 ILE 115 28.465 11.311 16.278 939 HG13 ILE 115 HG13 ILE 115 28.511 10.125 14.975 940 HG21 ILE 115 HG21 ILE 115 26.577 11.592 17.676 941 HG22 ILE 115 HG22 ILE 115 25.138 10.584 17.526 942 HG23 ILE 115 HG23 ILE 115 25.449 11.858 16.347 943 HD11 ILE 115 HD11 ILE 115 27.175 12.811 15.040 944 HD12 ILE 115 HD12 ILE 115 26.513 11.545 14.006 945 HD13 ILE 115 HD13 ILE 115 28.173 12.095 13.775 946 H TYR 116 H TYR 116 25.680 7.247 15.839 947 HA TYR 116 HA TYR 116 23.692 7.204 17.976 948 HB2 TYR 116 HB2 TYR 116 22.294 5.986 16.410 949 HB3 TYR 116 HB3 TYR 116 22.899 7.470 15.705 950 HD1 TYR 116 HD1 TYR 116 22.819 3.837 15.501 951 HD2 TYR 116 HD2 TYR 116 24.705 7.385 13.983 952 HE1 TYR 116 HE1 TYR 116 23.674 2.553 13.560 953 HE2 TYR 116 HE2 TYR 116 25.562 6.100 12.043 954 HH TYR 116 HH TYR 116 24.942 3.983 10.847 955 H LYS 117 H LYS 117 26.309 5.214 16.879 956 HA LYS 117 HA LYS 117 25.440 3.138 18.799 957 HB2 LYS 117 HB2 LYS 117 26.393 1.414 17.321 958 HB3 LYS 117 HB3 LYS 117 25.066 2.272 16.539 959 HG2 LYS 117 HG2 LYS 117 26.802 3.781 15.478 960 HG3 LYS 117 HG3 LYS 117 28.032 2.669 16.082 961 HD2 LYS 117 HD2 LYS 117 25.717 1.849 14.308 962 HD3 LYS 117 HD3 LYS 117 27.346 2.181 13.723 963 HE2 LYS 117 HE2 LYS 117 26.569 0.047 15.732 964 HE3 LYS 117 HE3 LYS 117 27.044 -0.226 14.055 965 HZ1 LYS 117 HZ1 LYS 117 29.170 0.959 14.654 966 HZ2 LYS 117 HZ2 LYS 117 28.959 -0.586 15.329 967 HZ3 LYS 117 HZ3 LYS 117 28.705 0.801 16.277 Start of MODEL 7 1 H GLU 1 H GLU 1 3.315 -9.773 12.266 2 HA GLU 1 HA GLU 1 5.071 -8.650 13.258 3 HB2 GLU 1 HB2 GLU 1 6.418 -11.350 13.016 4 HB3 GLU 1 HB3 GLU 1 7.088 -9.973 13.886 5 HG2 GLU 1 HG2 GLU 1 4.471 -11.375 14.499 6 HG3 GLU 1 HG3 GLU 1 5.950 -11.481 15.445 7 H ALA 2 H ALA 2 7.339 -7.885 12.785 8 HA ALA 2 HA ALA 2 8.184 -8.329 10.011 9 HB1 ALA 2 HB1 ALA 2 7.997 -5.502 10.983 10 HB2 ALA 2 HB2 ALA 2 6.557 -6.286 10.331 11 HB3 ALA 2 HB3 ALA 2 8.000 -6.120 9.331 12 H ALA 3 H ALA 3 10.358 -7.780 9.607 13 HA ALA 3 HA ALA 3 12.101 -8.067 11.849 14 HB1 ALA 3 HB1 ALA 3 12.861 -8.980 9.791 15 HB2 ALA 3 HB2 ALA 3 13.887 -7.577 10.092 16 HB3 ALA 3 HB3 ALA 3 12.566 -7.470 8.928 17 H ALA 4 H ALA 4 13.411 -6.577 12.853 18 HA ALA 4 HA ALA 4 14.080 -4.533 13.651 19 HB1 ALA 4 HB1 ALA 4 13.408 -3.337 10.976 20 HB2 ALA 4 HB2 ALA 4 14.792 -4.413 11.165 21 HB3 ALA 4 HB3 ALA 4 14.713 -2.910 12.084 22 H ALA 5 H ALA 5 11.329 -5.301 14.021 23 HA ALA 5 HA ALA 5 9.513 -3.228 13.430 24 HB1 ALA 5 HB1 ALA 5 9.557 -5.342 15.581 25 HB2 ALA 5 HB2 ALA 5 8.611 -5.321 14.092 26 HB3 ALA 5 HB3 ALA 5 8.224 -4.201 15.400 27 H ALA 6 H ALA 6 11.733 -3.700 16.143 28 HA ALA 6 HA ALA 6 10.728 -1.701 17.846 29 HB1 ALA 6 HB1 ALA 6 13.617 -2.545 17.535 30 HB2 ALA 6 HB2 ALA 6 12.418 -3.431 18.478 31 HB3 ALA 6 HB3 ALA 6 12.881 -1.796 18.951 32 H ARG 7 H ARG 7 11.144 0.469 18.055 33 HA ARG 7 HA ARG 7 11.568 1.973 15.735 34 HB2 ARG 7 HB2 ARG 7 10.398 2.788 17.774 35 HB3 ARG 7 HB3 ARG 7 11.958 2.890 18.592 36 HG2 ARG 7 HG2 ARG 7 12.754 4.464 16.844 37 HG3 ARG 7 HG3 ARG 7 11.166 4.393 16.078 38 HD2 ARG 7 HD2 ARG 7 10.148 5.215 18.200 39 HD3 ARG 7 HD3 ARG 7 11.764 5.383 18.879 40 HE ARG 7 HE ARG 7 11.959 7.357 17.713 41 HH11 ARG 7 HH11 ARG 7 9.513 5.425 16.097 42 HH12 ARG 7 HH12 ARG 7 9.128 6.679 14.967 43 HH21 ARG 7 HH21 ARG 7 11.418 8.933 16.237 44 HH22 ARG 7 HH22 ARG 7 10.194 8.642 15.046 45 H ASP 8 H ASP 8 13.833 1.036 18.301 46 HA ASP 8 HA ASP 8 15.956 2.714 17.528 47 HB2 ASP 8 HB2 ASP 8 17.387 1.236 18.836 48 HB3 ASP 8 HB3 ASP 8 15.879 1.536 19.693 49 H GLU 9 H GLU 9 15.085 -0.571 16.512 50 HA GLU 9 HA GLU 9 17.342 -0.795 14.725 51 HB2 GLU 9 HB2 GLU 9 14.821 -2.453 14.982 52 HB3 GLU 9 HB3 GLU 9 16.198 -2.859 13.956 53 HG2 GLU 9 HG2 GLU 9 17.665 -2.840 15.966 54 HG3 GLU 9 HG3 GLU 9 16.254 -2.527 16.967 55 H SER 10 H SER 10 13.887 -0.072 14.427 56 HA SER 10 HA SER 10 13.754 -0.056 11.610 57 HB2 SER 10 HB2 SER 10 11.787 -0.083 13.163 58 HB3 SER 10 HB3 SER 10 12.108 1.609 13.523 59 HG SER 10 HG SER 10 11.921 1.902 11.225 60 H ALA 11 H ALA 11 14.306 2.581 13.938 61 HA ALA 11 HA ALA 11 14.574 4.616 11.965 62 HB1 ALA 11 HB1 ALA 11 15.899 4.726 14.663 63 HB2 ALA 11 HB2 ALA 11 14.145 4.838 14.516 64 HB3 ALA 11 HB3 ALA 11 15.174 6.036 13.729 65 H TYR 12 H TYR 12 16.900 2.607 13.738 66 HA TYR 12 HA TYR 12 19.245 3.756 12.672 67 HB2 TYR 12 HB2 TYR 12 19.196 2.251 14.634 68 HB3 TYR 12 HB3 TYR 12 18.787 0.911 13.579 69 HD1 TYR 12 HD1 TYR 12 21.418 3.376 14.448 70 HD2 TYR 12 HD2 TYR 12 20.465 -0.218 12.296 71 HE1 TYR 12 HE1 TYR 12 23.833 2.973 14.052 72 HE2 TYR 12 HE2 TYR 12 22.878 -0.622 11.902 73 HH TYR 12 HH TYR 12 24.951 0.104 12.384 74 H LEU 13 H LEU 13 17.217 1.058 11.563 75 HA LEU 13 HA LEU 13 18.806 0.207 9.415 76 HB2 LEU 13 HB2 LEU 13 16.781 -0.975 10.283 77 HB3 LEU 13 HB3 LEU 13 15.781 0.263 9.525 78 HG LEU 13 HG LEU 13 17.076 -0.339 7.348 79 HD11 LEU 13 HD11 LEU 13 18.663 -1.809 8.843 80 HD12 LEU 13 HD12 LEU 13 18.186 -2.393 7.248 81 HD13 LEU 13 HD13 LEU 13 17.381 -3.010 8.690 82 HD21 LEU 13 HD21 LEU 13 15.538 -2.428 7.110 83 HD22 LEU 13 HD22 LEU 13 14.782 -0.863 7.404 84 HD23 LEU 13 HD23 LEU 13 14.982 -2.009 8.729 85 H LYS 14 H LYS 14 16.183 2.618 9.503 86 HA LYS 14 HA LYS 14 16.456 3.467 6.818 87 HB2 LYS 14 HB2 LYS 14 15.447 4.996 9.230 88 HB3 LYS 14 HB3 LYS 14 15.216 5.473 7.547 89 HG2 LYS 14 HG2 LYS 14 14.337 2.774 8.569 90 HG3 LYS 14 HG3 LYS 14 13.288 4.182 8.675 91 HD2 LYS 14 HD2 LYS 14 14.534 3.685 6.007 92 HD3 LYS 14 HD3 LYS 14 13.340 2.504 6.535 93 HE2 LYS 14 HE2 LYS 14 11.852 4.554 7.082 94 HE3 LYS 14 HE3 LYS 14 12.972 5.457 6.063 95 HZ1 LYS 14 HZ1 LYS 14 12.527 3.965 4.251 96 HZ2 LYS 14 HZ2 LYS 14 11.055 4.581 4.833 97 HZ3 LYS 14 HZ3 LYS 14 11.531 2.999 5.228 98 H LEU 15 H LEU 15 17.983 4.534 9.834 99 HA LEU 15 HA LEU 15 19.323 6.788 8.788 100 HB2 LEU 15 HB2 LEU 15 19.059 6.205 11.229 101 HB3 LEU 15 HB3 LEU 15 20.325 4.996 11.006 102 HG LEU 15 HG LEU 15 21.650 7.023 9.941 103 HD11 LEU 15 HD11 LEU 15 19.456 8.423 10.304 104 HD12 LEU 15 HD12 LEU 15 21.022 9.166 10.636 105 HD13 LEU 15 HD13 LEU 15 20.036 8.553 11.964 106 HD21 LEU 15 HD21 LEU 15 21.181 6.638 12.913 107 HD22 LEU 15 HD22 LEU 15 22.510 7.578 12.232 108 HD23 LEU 15 HD23 LEU 15 22.408 5.845 11.925 109 H GLN 16 H GLN 16 20.245 3.366 9.000 110 HA GLN 16 HA GLN 16 22.898 3.629 8.115 111 HB2 GLN 16 HB2 GLN 16 20.932 1.347 7.871 112 HB3 GLN 16 HB3 GLN 16 22.619 1.223 7.373 113 HG2 GLN 16 HG2 GLN 16 21.932 2.217 10.126 114 HG3 GLN 16 HG3 GLN 16 21.959 0.487 9.793 115 HE21 GLN 16 HE21 GLN 16 23.941 -0.330 10.490 116 HE22 GLN 16 HE22 GLN 16 25.441 0.422 10.241 117 H GLU 17 H GLU 17 19.869 3.251 6.301 118 HA GLU 17 HA GLU 17 20.996 3.008 3.735 119 HB2 GLU 17 HB2 GLU 17 18.379 4.278 4.577 120 HB3 GLU 17 HB3 GLU 17 18.815 3.874 2.916 121 HG2 GLU 17 HG2 GLU 17 19.111 1.501 3.599 122 HG3 GLU 17 HG3 GLU 17 18.587 1.923 5.222 123 H GLN 18 H GLN 18 20.160 5.873 5.657 124 HA GLN 18 HA GLN 18 20.807 7.841 3.757 125 HB2 GLN 18 HB2 GLN 18 19.735 8.049 6.123 126 HB3 GLN 18 HB3 GLN 18 21.403 8.176 6.684 127 HG2 GLN 18 HG2 GLN 18 20.255 9.910 4.485 128 HG3 GLN 18 HG3 GLN 18 20.286 10.392 6.181 129 HE21 GLN 18 HE21 GLN 18 21.908 11.116 3.503 130 HE22 GLN 18 HE22 GLN 18 23.497 11.213 4.093 131 H MET 19 H MET 19 22.841 6.036 6.042 132 HA MET 19 HA MET 19 25.228 7.487 5.617 133 HB2 MET 19 HB2 MET 19 24.859 4.568 6.350 134 HB3 MET 19 HB3 MET 19 26.365 5.465 6.488 135 HG2 MET 19 HG2 MET 19 23.787 6.112 7.948 136 HG3 MET 19 HG3 MET 19 25.203 5.345 8.660 137 HE1 MET 19 HE1 MET 19 27.389 6.111 8.305 138 HE2 MET 19 HE2 MET 19 27.839 7.649 9.038 139 HE3 MET 19 HE3 MET 19 27.764 7.505 7.284 140 H ARG 20 H ARG 20 23.851 4.654 3.970 141 HA ARG 20 HA ARG 20 26.018 4.129 2.257 142 HB2 ARG 20 HB2 ARG 20 23.069 3.765 1.680 143 HB3 ARG 20 HB3 ARG 20 24.395 2.987 0.820 144 HG2 ARG 20 HG2 ARG 20 23.900 2.668 3.792 145 HG3 ARG 20 HG3 ARG 20 23.312 1.538 2.575 146 HD2 ARG 20 HD2 ARG 20 26.219 2.235 3.101 147 HD3 ARG 20 HD3 ARG 20 25.417 0.730 3.523 148 HE ARG 20 HE ARG 20 24.981 0.777 0.899 149 HH11 ARG 20 HH11 ARG 20 27.947 1.462 2.650 150 HH12 ARG 20 HH12 ARG 20 28.955 0.967 1.332 151 HH21 ARG 20 HH21 ARG 20 26.328 0.158 -0.762 152 HH22 ARG 20 HH22 ARG 20 28.048 0.237 -0.577 153 H LYS 21 H LYS 21 23.309 6.391 1.939 154 HA LYS 21 HA LYS 21 23.822 7.291 -0.670 155 HB2 LYS 21 HB2 LYS 21 21.807 7.880 0.678 156 HB3 LYS 21 HB3 LYS 21 22.817 8.924 1.677 157 HG2 LYS 21 HG2 LYS 21 21.842 10.370 0.063 158 HG3 LYS 21 HG3 LYS 21 23.487 10.098 -0.507 159 HD2 LYS 21 HD2 LYS 21 22.698 8.383 -2.065 160 HD3 LYS 21 HD3 LYS 21 21.052 8.560 -1.454 161 HE2 LYS 21 HE2 LYS 21 21.369 9.828 -3.555 162 HE3 LYS 21 HE3 LYS 21 21.011 10.902 -2.203 163 HZ1 LYS 21 HZ1 LYS 21 23.737 10.288 -3.209 164 HZ2 LYS 21 HZ2 LYS 21 23.343 11.383 -1.971 165 HZ3 LYS 21 HZ3 LYS 21 22.864 11.696 -3.570 166 H ILE 22 H ILE 22 25.118 8.358 2.460 167 HA ILE 22 HA ILE 22 26.791 10.411 1.454 168 HB ILE 22 HB ILE 22 27.158 8.717 3.944 169 HG12 ILE 22 HG12 ILE 22 25.844 11.433 3.668 170 HG13 ILE 22 HG13 ILE 22 24.930 9.928 3.690 171 HG21 ILE 22 HG21 ILE 22 28.135 11.521 3.336 172 HG22 ILE 22 HG22 ILE 22 29.143 10.084 3.167 173 HG23 ILE 22 HG23 ILE 22 28.523 10.543 4.751 174 HD11 ILE 22 HD11 ILE 22 25.320 9.560 5.924 175 HD12 ILE 22 HD12 ILE 22 25.433 11.317 5.926 176 HD13 ILE 22 HD13 ILE 22 26.901 10.342 5.897 177 H ASP 23 H ASP 23 27.355 6.974 2.146 178 HA ASP 23 HA ASP 23 30.089 6.911 1.468 179 HB2 ASP 23 HB2 ASP 23 27.988 4.739 1.295 180 HB3 ASP 23 HB3 ASP 23 29.725 4.470 1.158 181 H ALA 24 H ALA 24 27.169 6.427 -0.489 182 HA ALA 24 HA ALA 24 28.515 5.783 -2.904 183 HB1 ALA 24 HB1 ALA 24 25.767 6.904 -2.334 184 HB2 ALA 24 HB2 ALA 24 26.194 5.243 -2.739 185 HB3 ALA 24 HB3 ALA 24 26.322 6.509 -3.960 186 H ASP 25 H ASP 25 27.286 8.831 -1.560 187 HA ASP 25 HA ASP 25 28.006 10.505 -3.709 188 HB2 ASP 25 HB2 ASP 25 27.822 11.104 -0.748 189 HB3 ASP 25 HB3 ASP 25 27.953 12.324 -2.013 190 H ALA 26 H ALA 26 29.832 9.378 -0.885 191 HA ALA 26 HA ALA 26 32.113 10.997 -1.240 192 HB1 ALA 26 HB1 ALA 26 31.666 9.707 0.815 193 HB2 ALA 26 HB2 ALA 26 33.263 9.343 0.160 194 HB3 ALA 26 HB3 ALA 26 31.934 8.207 -0.074 195 H ALA 27 H ALA 27 31.339 7.737 -2.438 196 HA ALA 27 HA ALA 27 33.782 7.357 -3.840 197 HB1 ALA 27 HB1 ALA 27 31.856 5.670 -3.190 198 HB2 ALA 27 HB2 ALA 27 32.841 5.395 -4.626 199 HB3 ALA 27 HB3 ALA 27 31.233 6.103 -4.781 200 H ALA 28 H ALA 28 30.629 8.672 -4.776 201 HA ALA 28 HA ALA 28 31.232 8.938 -7.543 202 HB1 ALA 28 HB1 ALA 28 29.186 10.086 -7.723 203 HB2 ALA 28 HB2 ALA 28 29.263 10.670 -6.061 204 HB3 ALA 28 HB3 ALA 28 28.930 8.968 -6.384 205 H LEU 29 H LEU 29 31.353 11.236 -4.816 206 HA LEU 29 HA LEU 29 32.225 13.388 -6.487 207 HB2 LEU 29 HB2 LEU 29 32.349 14.712 -4.525 208 HB3 LEU 29 HB3 LEU 29 30.942 13.674 -4.362 209 HG LEU 29 HG LEU 29 32.705 12.084 -3.126 210 HD11 LEU 29 HD11 LEU 29 34.716 13.257 -3.238 211 HD12 LEU 29 HD12 LEU 29 34.103 13.815 -1.686 212 HD13 LEU 29 HD13 LEU 29 33.926 14.828 -3.118 213 HD21 LEU 29 HD21 LEU 29 31.975 13.075 -0.991 214 HD22 LEU 29 HD22 LEU 29 30.633 13.036 -2.136 215 HD23 LEU 29 HD23 LEU 29 31.487 14.547 -1.831 216 H SER 30 H SER 30 33.898 10.886 -4.712 217 HA SER 30 HA SER 30 36.414 12.050 -4.403 218 HB2 SER 30 HB2 SER 30 37.297 9.774 -4.386 219 HB3 SER 30 HB3 SER 30 35.787 9.846 -3.484 220 HG SER 30 HG SER 30 35.389 8.259 -4.832 221 H GLU 31 H GLU 31 34.889 10.767 -7.311 222 HA GLU 31 HA GLU 31 37.324 10.706 -8.844 223 HB2 GLU 31 HB2 GLU 31 34.421 10.601 -9.689 224 HB3 GLU 31 HB3 GLU 31 35.793 10.338 -10.767 225 HG2 GLU 31 HG2 GLU 31 36.548 8.472 -9.303 226 HG3 GLU 31 HG3 GLU 31 35.118 8.704 -8.305 227 H THR 32 H THR 32 34.484 12.870 -8.751 228 HA THR 32 HA THR 32 35.561 14.635 -10.747 229 HB THR 32 HB THR 32 33.621 16.047 -10.217 230 HG1 THR 32 HG1 THR 32 32.497 15.672 -8.461 231 HG21 THR 32 HG21 THR 32 32.617 13.219 -10.128 232 HG22 THR 32 HG22 THR 32 33.534 13.777 -11.527 233 HG23 THR 32 HG23 THR 32 32.028 14.580 -11.084 234 H ARG 33 H ARG 33 35.325 14.669 -7.224 235 HA ARG 33 HA ARG 33 36.264 16.014 -5.624 236 HB2 ARG 33 HB2 ARG 33 38.348 16.300 -7.797 237 HB3 ARG 33 HB3 ARG 33 38.572 16.788 -6.115 238 HG2 ARG 33 HG2 ARG 33 38.036 14.448 -5.413 239 HG3 ARG 33 HG3 ARG 33 37.977 13.994 -7.116 240 HD2 ARG 33 HD2 ARG 33 40.371 15.148 -5.669 241 HD3 ARG 33 HD3 ARG 33 40.182 13.474 -6.181 242 HE ARG 33 HE ARG 33 40.800 15.761 -7.874 243 HH11 ARG 33 HH11 ARG 33 39.748 12.412 -7.784 244 HH12 ARG 33 HH12 ARG 33 40.191 12.124 -9.434 245 HH21 ARG 33 HH21 ARG 33 41.345 15.333 -9.994 246 HH22 ARG 33 HH22 ARG 33 41.086 13.758 -10.668 247 H THR 34 H THR 34 34.225 17.329 -6.563 248 HA THR 34 HA THR 34 35.200 20.088 -6.902 249 HB THR 34 HB THR 34 34.587 19.264 -9.132 250 HG1 THR 34 HG1 THR 34 33.130 20.933 -9.505 251 HG21 THR 34 HG21 THR 34 31.901 18.752 -7.831 252 HG22 THR 34 HG22 THR 34 32.965 17.559 -8.573 253 HG23 THR 34 HG23 THR 34 32.165 18.769 -9.575 254 H ILE 35 H ILE 35 33.787 21.713 -6.194 255 HA ILE 35 HA ILE 35 32.302 21.000 -3.857 256 HB ILE 35 HB ILE 35 32.664 23.644 -5.288 257 HG12 ILE 35 HG12 ILE 35 34.028 23.917 -3.008 258 HG13 ILE 35 HG13 ILE 35 34.089 22.158 -3.104 259 HG21 ILE 35 HG21 ILE 35 30.619 23.807 -3.995 260 HG22 ILE 35 HG22 ILE 35 31.896 24.643 -3.113 261 HG23 ILE 35 HG23 ILE 35 31.381 23.034 -2.604 262 HD11 ILE 35 HD11 ILE 35 35.967 23.612 -4.241 263 HD12 ILE 35 HD12 ILE 35 34.779 23.779 -5.535 264 HD13 ILE 35 HD13 ILE 35 35.348 22.178 -5.059 265 H GLU 36 H GLU 36 31.416 21.588 -7.204 266 HA GLU 36 HA GLU 36 28.750 22.370 -6.892 267 HB2 GLU 36 HB2 GLU 36 29.995 20.651 -9.050 268 HB3 GLU 36 HB3 GLU 36 28.399 21.394 -9.151 269 HG2 GLU 36 HG2 GLU 36 29.451 23.626 -8.827 270 HG3 GLU 36 HG3 GLU 36 31.032 22.858 -8.830 271 H GLU 37 H GLU 37 30.144 19.097 -7.065 272 HA GLU 37 HA GLU 37 27.626 17.810 -6.527 273 HB2 GLU 37 HB2 GLU 37 30.464 16.771 -6.391 274 HB3 GLU 37 HB3 GLU 37 29.018 15.775 -6.221 275 HG2 GLU 37 HG2 GLU 37 28.261 16.547 -8.464 276 HG3 GLU 37 HG3 GLU 37 29.762 17.444 -8.639 277 H LEU 38 H LEU 38 30.332 18.960 -4.595 278 HA LEU 38 HA LEU 38 29.921 17.568 -2.224 279 HB2 LEU 38 HB2 LEU 38 31.847 19.073 -2.716 280 HB3 LEU 38 HB3 LEU 38 30.783 20.456 -2.464 281 HG LEU 38 HG LEU 38 30.264 19.501 -0.166 282 HD11 LEU 38 HD11 LEU 38 32.492 17.659 -1.048 283 HD12 LEU 38 HD12 LEU 38 30.921 17.226 -0.373 284 HD13 LEU 38 HD13 LEU 38 32.153 17.956 0.657 285 HD21 LEU 38 HD21 LEU 38 32.988 20.468 -1.011 286 HD22 LEU 38 HD22 LEU 38 32.659 20.105 0.684 287 HD23 LEU 38 HD23 LEU 38 31.722 21.345 -0.152 288 H ASP 39 H ASP 39 28.169 20.352 -3.503 289 HA ASP 39 HA ASP 39 26.953 21.304 -1.193 290 HB2 ASP 39 HB2 ASP 39 25.849 21.126 -4.004 291 HB3 ASP 39 HB3 ASP 39 25.124 22.075 -2.707 292 H THR 40 H THR 40 25.995 18.586 -3.259 293 HA THR 40 HA THR 40 23.571 17.978 -1.925 294 HB THR 40 HB THR 40 25.427 16.057 -3.350 295 HG1 THR 40 HG1 THR 40 24.644 17.996 -4.467 296 HG21 THR 40 HG21 THR 40 22.496 16.014 -2.606 297 HG22 THR 40 HG22 THR 40 23.741 14.845 -2.168 298 HG23 THR 40 HG23 THR 40 23.179 14.951 -3.836 299 H PHE 41 H PHE 41 26.921 16.961 -1.389 300 HA PHE 41 HA PHE 41 26.451 14.948 0.508 301 HB2 PHE 41 HB2 PHE 41 28.624 15.335 -0.573 302 HB3 PHE 41 HB3 PHE 41 28.790 16.846 0.300 303 HD1 PHE 41 HD1 PHE 41 29.226 13.253 0.401 304 HD2 PHE 41 HD2 PHE 41 28.990 16.796 2.819 305 HE1 PHE 41 HE1 PHE 41 30.305 12.044 2.279 306 HE2 PHE 41 HE2 PHE 41 30.070 15.586 4.697 307 HZ PHE 41 HZ PHE 41 30.729 13.214 4.427 308 H LYS 42 H LYS 42 27.039 18.434 0.964 309 HA LYS 42 HA LYS 42 27.127 18.411 3.767 310 HB2 LYS 42 HB2 LYS 42 26.230 20.596 1.875 311 HB3 LYS 42 HB3 LYS 42 26.563 20.831 3.591 312 HG2 LYS 42 HG2 LYS 42 28.873 20.105 3.286 313 HG3 LYS 42 HG3 LYS 42 28.561 19.745 1.586 314 HD2 LYS 42 HD2 LYS 42 29.626 21.906 1.679 315 HD3 LYS 42 HD3 LYS 42 27.930 22.170 1.278 316 HE2 LYS 42 HE2 LYS 42 27.426 23.044 3.371 317 HE3 LYS 42 HE3 LYS 42 28.745 22.182 4.165 318 HZ1 LYS 42 HZ1 LYS 42 28.848 24.641 2.546 319 HZ2 LYS 42 HZ2 LYS 42 30.225 23.657 2.691 320 HZ3 LYS 42 HZ3 LYS 42 29.515 24.338 4.075 321 H LEU 43 H LEU 43 24.375 18.778 1.553 322 HA LEU 43 HA LEU 43 22.425 19.301 3.536 323 HB2 LEU 43 HB2 LEU 43 22.099 17.973 0.833 324 HB3 LEU 43 HB3 LEU 43 20.793 18.637 1.815 325 HG LEU 43 HG LEU 43 23.152 20.251 0.802 326 HD11 LEU 43 HD11 LEU 43 21.816 19.605 -1.102 327 HD12 LEU 43 HD12 LEU 43 21.390 21.270 -0.703 328 HD13 LEU 43 HD13 LEU 43 20.320 19.949 -0.233 329 HD21 LEU 43 HD21 LEU 43 22.268 21.289 2.756 330 HD22 LEU 43 HD22 LEU 43 20.608 20.902 2.303 331 HD23 LEU 43 HD23 LEU 43 21.501 22.132 1.410 332 H ASP 44 H ASP 44 23.649 16.281 2.141 333 HA ASP 44 HA ASP 44 21.800 14.534 3.359 334 HB2 ASP 44 HB2 ASP 44 24.676 14.074 2.537 335 HB3 ASP 44 HB3 ASP 44 23.544 12.801 2.980 336 H VAL 45 H VAL 45 24.962 15.743 4.444 337 HA VAL 45 HA VAL 45 24.999 14.251 6.872 338 HB VAL 45 HB VAL 45 26.440 16.824 6.174 339 HG11 VAL 45 HG11 VAL 45 26.672 14.849 8.430 340 HG12 VAL 45 HG12 VAL 45 26.703 16.612 8.490 341 HG13 VAL 45 HG13 VAL 45 28.100 15.724 7.878 342 HG21 VAL 45 HG21 VAL 45 28.336 15.020 5.877 343 HG22 VAL 45 HG22 VAL 45 27.191 15.305 4.569 344 HG23 VAL 45 HG23 VAL 45 26.981 13.918 5.636 345 H ALA 46 H ALA 46 23.948 17.529 6.019 346 HA ALA 46 HA ALA 46 23.488 18.498 8.606 347 HB1 ALA 46 HB1 ALA 46 21.720 19.944 7.368 348 HB2 ALA 46 HB2 ALA 46 22.325 19.154 5.913 349 HB3 ALA 46 HB3 ALA 46 23.415 20.115 6.912 350 H ASP 47 H ASP 47 21.342 16.731 6.394 351 HA ASP 47 HA ASP 47 19.075 16.685 8.087 352 HB2 ASP 47 HB2 ASP 47 19.978 14.730 5.959 353 HB3 ASP 47 HB3 ASP 47 18.386 14.724 6.715 354 H PHE 48 H PHE 48 21.893 14.552 7.811 355 HA PHE 48 HA PHE 48 20.998 12.486 9.495 356 HB2 PHE 48 HB2 PHE 48 22.995 12.340 8.046 357 HB3 PHE 48 HB3 PHE 48 23.823 13.477 9.092 358 HD1 PHE 48 HD1 PHE 48 24.574 12.815 11.328 359 HD2 PHE 48 HD2 PHE 48 22.610 10.028 8.715 360 HE1 PHE 48 HE1 PHE 48 25.335 10.937 12.758 361 HE2 PHE 48 HE2 PHE 48 23.372 8.152 10.144 362 HZ PHE 48 HZ PHE 48 24.734 8.605 12.166 363 H VAL 49 H VAL 49 22.831 15.454 10.246 364 HA VAL 49 HA VAL 49 23.266 14.892 12.968 365 HB VAL 49 HB VAL 49 22.942 17.601 11.652 366 HG11 VAL 49 HG11 VAL 49 24.413 18.348 13.529 367 HG12 VAL 49 HG12 VAL 49 24.273 16.741 14.239 368 HG13 VAL 49 HG13 VAL 49 22.844 17.763 14.085 369 HG21 VAL 49 HG21 VAL 49 25.570 17.351 11.822 370 HG22 VAL 49 HG22 VAL 49 24.699 16.637 10.466 371 HG23 VAL 49 HG23 VAL 49 25.198 15.626 11.821 372 H THR 50 H THR 50 20.620 16.638 11.348 373 HA THR 50 HA THR 50 19.227 17.386 13.679 374 HB THR 50 HB THR 50 18.045 16.743 10.968 375 HG1 THR 50 HG1 THR 50 18.343 19.122 10.923 376 HG21 THR 50 HG21 THR 50 16.259 18.219 11.631 377 HG22 THR 50 HG22 THR 50 17.113 18.674 13.105 378 HG23 THR 50 HG23 THR 50 16.476 17.040 12.925 379 H THR 51 H THR 51 19.030 14.476 11.660 380 HA THR 51 HA THR 51 16.832 13.350 13.111 381 HB THR 51 HB THR 51 18.794 11.941 11.294 382 HG1 THR 51 HG1 THR 51 17.778 12.908 9.768 383 HG21 THR 51 HG21 THR 51 16.712 10.519 10.907 384 HG22 THR 51 HG22 THR 51 16.014 11.327 12.310 385 HG23 THR 51 HG23 THR 51 17.471 10.351 12.490 386 H VAL 52 H VAL 52 20.351 12.743 13.110 387 HA VAL 52 HA VAL 52 20.186 10.519 14.866 388 HB VAL 52 HB VAL 52 22.084 10.903 13.338 389 HG11 VAL 52 HG11 VAL 52 23.595 12.646 13.558 390 HG12 VAL 52 HG12 VAL 52 23.230 12.893 15.265 391 HG13 VAL 52 HG13 VAL 52 22.104 13.456 14.034 392 HG21 VAL 52 HG21 VAL 52 23.871 10.352 15.023 393 HG22 VAL 52 HG22 VAL 52 22.404 9.387 15.197 394 HG23 VAL 52 HG23 VAL 52 22.714 10.730 16.298 395 H VAL 53 H VAL 53 20.871 13.967 15.447 396 HA VAL 53 HA VAL 53 21.464 13.715 18.198 397 HB VAL 53 HB VAL 53 20.272 16.063 16.694 398 HG11 VAL 53 HG11 VAL 53 19.982 16.265 19.143 399 HG12 VAL 53 HG12 VAL 53 21.173 17.420 18.545 400 HG13 VAL 53 HG13 VAL 53 21.703 15.953 19.369 401 HG21 VAL 53 HG21 VAL 53 23.145 15.684 17.532 402 HG22 VAL 53 HG22 VAL 53 22.490 16.784 16.320 403 HG23 VAL 53 HG23 VAL 53 22.560 15.053 15.994 404 H GLN 54 H GLN 54 18.400 14.283 16.474 405 HA GLN 54 HA GLN 54 16.731 14.439 18.738 406 HB2 GLN 54 HB2 GLN 54 16.378 13.829 15.847 407 HB3 GLN 54 HB3 GLN 54 15.094 13.272 16.913 408 HG2 GLN 54 HG2 GLN 54 14.581 15.513 16.090 409 HG3 GLN 54 HG3 GLN 54 14.875 15.566 17.826 410 HE21 GLN 54 HE21 GLN 54 15.601 17.183 14.998 411 HE22 GLN 54 HE22 GLN 54 17.059 17.911 15.471 412 H LEU 55 H LEU 55 17.872 11.644 16.853 413 HA LEU 55 HA LEU 55 16.545 9.647 18.340 414 HB2 LEU 55 HB2 LEU 55 17.694 9.270 16.161 415 HB3 LEU 55 HB3 LEU 55 19.245 9.450 16.982 416 HG LEU 55 HG LEU 55 18.506 7.586 18.544 417 HD11 LEU 55 HD11 LEU 55 16.732 6.092 17.334 418 HD12 LEU 55 HD12 LEU 55 16.252 7.598 16.552 419 HD13 LEU 55 HD13 LEU 55 16.178 7.454 18.308 420 HD21 LEU 55 HD21 LEU 55 18.813 5.808 16.696 421 HD22 LEU 55 HD22 LEU 55 20.098 7.002 16.883 422 HD23 LEU 55 HD23 LEU 55 18.921 7.170 15.581 423 H ALA 56 H ALA 56 19.683 11.247 18.788 424 HA ALA 56 HA ALA 56 20.582 9.761 21.005 425 HB1 ALA 56 HB1 ALA 56 22.240 11.115 20.157 426 HB2 ALA 56 HB2 ALA 56 21.713 12.107 21.515 427 HB3 ALA 56 HB3 ALA 56 21.146 12.470 19.885 428 H GLU 57 H GLU 57 18.580 12.683 20.789 429 HA GLU 57 HA GLU 57 18.282 13.024 23.605 430 HB2 GLU 57 HB2 GLU 57 17.930 14.826 21.908 431 HB3 GLU 57 HB3 GLU 57 16.458 14.000 21.397 432 HG2 GLU 57 HG2 GLU 57 15.595 14.159 23.722 433 HG3 GLU 57 HG3 GLU 57 17.034 15.061 24.175 434 H GLU 58 H GLU 58 16.270 11.523 21.092 435 HA GLU 58 HA GLU 58 14.093 10.857 22.774 436 HB2 GLU 58 HB2 GLU 58 14.012 10.894 20.278 437 HB3 GLU 58 HB3 GLU 58 14.991 9.426 20.264 438 HG2 GLU 58 HG2 GLU 58 13.253 8.295 21.644 439 HG3 GLU 58 HG3 GLU 58 12.263 9.743 21.547 440 H LEU 59 H LEU 59 17.049 9.126 21.888 441 HA LEU 59 HA LEU 59 16.363 6.604 22.895 442 HB2 LEU 59 HB2 LEU 59 18.365 7.145 21.474 443 HB3 LEU 59 HB3 LEU 59 19.126 7.838 22.906 444 HG LEU 59 HG LEU 59 18.613 5.553 24.026 445 HD11 LEU 59 HD11 LEU 59 17.176 4.949 21.906 446 HD12 LEU 59 HD12 LEU 59 18.169 3.706 22.664 447 HD13 LEU 59 HD13 LEU 59 18.734 4.519 21.204 448 HD21 LEU 59 HD21 LEU 59 20.706 4.597 23.093 449 HD22 LEU 59 HD22 LEU 59 20.881 6.313 23.450 450 HD23 LEU 59 HD23 LEU 59 20.651 5.780 21.786 451 H GLU 60 H GLU 60 17.793 9.424 24.513 452 HA GLU 60 HA GLU 60 18.206 8.136 27.021 453 HB2 GLU 60 HB2 GLU 60 17.876 11.056 26.301 454 HB3 GLU 60 HB3 GLU 60 18.336 10.475 27.901 455 HG2 GLU 60 HG2 GLU 60 20.281 9.322 26.905 456 HG3 GLU 60 HG3 GLU 60 19.851 9.966 25.327 457 H HIS 61 H HIS 61 15.561 10.086 25.693 458 HA HIS 61 HA HIS 61 14.100 10.329 28.097 459 HB2 HIS 61 HB2 HIS 61 13.250 10.485 25.212 460 HB3 HIS 61 HB3 HIS 61 12.167 10.808 26.550 461 HD1 HIS 61 HD1 HIS 61 12.607 13.074 24.646 462 HD2 HIS 61 HD2 HIS 61 15.106 12.439 27.920 463 HE1 HIS 61 HE1 HIS 61 13.712 15.296 25.142 464 H ARG 62 H ARG 62 13.991 7.895 25.509 465 HA ARG 62 HA ARG 62 11.689 6.632 26.817 466 HB2 ARG 62 HB2 ARG 62 12.979 5.894 24.183 467 HB3 ARG 62 HB3 ARG 62 11.427 5.333 24.797 468 HG2 ARG 62 HG2 ARG 62 12.097 8.227 24.179 469 HG3 ARG 62 HG3 ARG 62 11.183 7.157 23.118 470 HD2 ARG 62 HD2 ARG 62 9.515 6.838 24.953 471 HD3 ARG 62 HD3 ARG 62 10.403 8.016 25.914 472 HE ARG 62 HE ARG 62 9.501 8.866 23.263 473 HH11 ARG 62 HH11 ARG 62 8.926 8.961 26.730 474 HH12 ARG 62 HH12 ARG 62 7.963 10.395 26.624 475 HH21 ARG 62 HH21 ARG 62 8.245 10.706 23.200 476 HH22 ARG 62 HH22 ARG 62 7.581 11.367 24.656 477 H PHE 63 H PHE 63 14.468 5.106 25.152 478 HA PHE 63 HA PHE 63 14.294 2.818 26.850 479 HB2 PHE 63 HB2 PHE 63 16.479 3.649 24.942 480 HB3 PHE 63 HB3 PHE 63 16.307 2.062 25.671 481 HD1 PHE 63 HD1 PHE 63 13.443 1.515 25.442 482 HD2 PHE 63 HD2 PHE 63 16.108 3.414 22.659 483 HE1 PHE 63 HE1 PHE 63 11.972 0.830 23.566 484 HE2 PHE 63 HE2 PHE 63 14.637 2.730 20.784 485 HZ PHE 63 HZ PHE 63 12.569 1.439 21.237 486 H GLY 64 H GLY 64 16.440 5.627 26.742 487 HA2 GLY 64 HA2 GLY 64 17.831 6.495 28.376 488 HA3 GLY 64 HA3 GLY 64 17.253 5.247 29.475 489 H ARG 65 H ARG 65 18.764 4.769 26.302 490 HA ARG 65 HA ARG 65 20.840 3.140 27.638 491 HB2 ARG 65 HB2 ARG 65 19.679 2.960 24.856 492 HB3 ARG 65 HB3 ARG 65 21.001 1.961 25.460 493 HG2 ARG 65 HG2 ARG 65 19.520 1.178 27.307 494 HG3 ARG 65 HG3 ARG 65 18.193 2.094 26.594 495 HD2 ARG 65 HD2 ARG 65 19.717 -0.166 25.271 496 HD3 ARG 65 HD3 ARG 65 18.067 -0.243 25.881 497 HE ARG 65 HE ARG 65 18.062 1.847 24.090 498 HH11 ARG 65 HH11 ARG 65 18.866 -1.561 23.880 499 HH12 ARG 65 HH12 ARG 65 18.428 -1.665 22.208 500 HH21 ARG 65 HH21 ARG 65 17.509 1.652 21.934 501 HH22 ARG 65 HH22 ARG 65 17.668 0.130 21.123 502 H ASN 66 H ASN 66 20.828 6.179 26.727 503 HA ASN 66 HA ASN 66 23.076 6.109 24.858 504 HB2 ASN 66 HB2 ASN 66 21.033 7.805 24.912 505 HB3 ASN 66 HB3 ASN 66 22.065 8.650 26.059 506 HD21 ASN 66 HD21 ASN 66 22.392 10.405 24.495 507 HD22 ASN 66 HD22 ASN 66 23.424 10.193 23.165 508 H ARG 67 H ARG 67 25.137 6.263 25.464 509 HA ARG 67 HA ARG 67 25.737 6.808 28.278 510 HB2 ARG 67 HB2 ARG 67 27.932 5.873 27.808 511 HB3 ARG 67 HB3 ARG 67 26.674 4.786 27.226 512 HG2 ARG 67 HG2 ARG 67 26.952 5.801 24.939 513 HG3 ARG 67 HG3 ARG 67 28.335 6.701 25.564 514 HD2 ARG 67 HD2 ARG 67 29.381 4.533 26.234 515 HD3 ARG 67 HD3 ARG 67 28.041 3.686 25.469 516 HE ARG 67 HE ARG 67 28.889 5.191 23.437 517 HH11 ARG 67 HH11 ARG 67 30.777 3.287 25.705 518 HH12 ARG 67 HH12 ARG 67 32.050 3.009 24.563 519 HH21 ARG 67 HH21 ARG 67 30.559 4.797 22.013 520 HH22 ARG 67 HH22 ARG 67 31.926 3.852 22.501 521 H ARG 68 H ARG 68 25.081 8.967 26.199 522 HA ARG 68 HA ARG 68 27.545 10.576 26.563 523 HB2 ARG 68 HB2 ARG 68 25.624 10.687 24.224 524 HB3 ARG 68 HB3 ARG 68 27.085 11.651 24.424 525 HG2 ARG 68 HG2 ARG 68 27.049 8.624 24.276 526 HG3 ARG 68 HG3 ARG 68 27.396 9.680 22.909 527 HD2 ARG 68 HD2 ARG 68 29.284 10.671 24.216 528 HD3 ARG 68 HD3 ARG 68 28.976 9.492 25.488 529 HE ARG 68 HE ARG 68 29.252 8.029 23.154 530 HH11 ARG 68 HH11 ARG 68 31.292 10.221 24.986 531 HH12 ARG 68 HH12 ARG 68 32.753 9.436 24.487 532 HH21 ARG 68 HH21 ARG 68 31.167 7.056 22.552 533 HH22 ARG 68 HH22 ARG 68 32.682 7.667 23.128 534 H GLY 69 H GLY 69 27.287 12.618 27.338 535 HA2 GLY 69 HA2 GLY 69 24.653 13.406 28.287 536 HA3 GLY 69 HA3 GLY 69 26.170 14.252 28.584 537 H ARG 70 H ARG 70 23.794 15.591 27.829 538 HA ARG 70 HA ARG 70 23.436 16.015 25.090 539 HB2 ARG 70 HB2 ARG 70 23.093 18.025 27.325 540 HB3 ARG 70 HB3 ARG 70 22.377 18.132 25.718 541 HG2 ARG 70 HG2 ARG 70 21.871 15.855 27.653 542 HG3 ARG 70 HG3 ARG 70 20.802 17.241 27.457 543 HD2 ARG 70 HD2 ARG 70 20.611 16.663 25.017 544 HD3 ARG 70 HD3 ARG 70 21.532 15.199 25.341 545 HE ARG 70 HE ARG 70 19.686 14.303 26.455 546 HH11 ARG 70 HH11 ARG 70 19.035 17.646 25.598 547 HH12 ARG 70 HH12 ARG 70 17.349 17.513 25.962 548 HH21 ARG 70 HH21 ARG 70 17.505 14.194 26.901 549 HH22 ARG 70 HH22 ARG 70 16.494 15.585 26.692 550 H THR 71 H THR 71 25.702 17.554 27.341 551 HA THR 71 HA THR 71 26.745 19.458 25.534 552 HB THR 71 HB THR 71 27.205 19.574 27.934 553 HG1 THR 71 HG1 THR 71 28.899 20.521 27.223 554 HG21 THR 71 HG21 THR 71 29.041 17.201 27.573 555 HG22 THR 71 HG22 THR 71 27.387 17.030 28.161 556 HG23 THR 71 HG23 THR 71 28.555 17.981 29.078 557 H GLU 72 H GLU 72 27.597 16.077 26.175 558 HA GLU 72 HA GLU 72 29.905 16.003 24.538 559 HB2 GLU 72 HB2 GLU 72 28.019 13.789 25.369 560 HB3 GLU 72 HB3 GLU 72 29.585 13.540 24.594 561 HG2 GLU 72 HG2 GLU 72 30.672 14.785 26.455 562 HG3 GLU 72 HG3 GLU 72 29.108 14.924 27.246 563 H ILE 73 H ILE 73 26.471 15.399 23.850 564 HA ILE 73 HA ILE 73 26.748 14.404 21.239 565 HB ILE 73 HB ILE 73 24.551 16.163 22.357 566 HG12 ILE 73 HG12 ILE 73 24.944 14.120 23.689 567 HG13 ILE 73 HG13 ILE 73 23.393 14.073 22.865 568 HG21 ILE 73 HG21 ILE 73 24.287 16.119 19.991 569 HG22 ILE 73 HG22 ILE 73 23.167 14.908 20.616 570 HG23 ILE 73 HG23 ILE 73 24.701 14.407 19.902 571 HD11 ILE 73 HD11 ILE 73 25.319 12.879 21.110 572 HD12 ILE 73 HD12 ILE 73 23.969 12.107 21.938 573 HD13 ILE 73 HD13 ILE 73 25.548 12.190 22.716 574 H TYR 74 H TYR 74 26.505 17.741 22.426 575 HA TYR 74 HA TYR 74 26.436 18.952 19.856 576 HB2 TYR 74 HB2 TYR 74 27.266 20.114 22.516 577 HB3 TYR 74 HB3 TYR 74 26.908 21.037 21.068 578 HD1 TYR 74 HD1 TYR 74 24.496 19.777 20.020 579 HD2 TYR 74 HD2 TYR 74 25.621 20.576 24.087 580 HE1 TYR 74 HE1 TYR 74 22.104 19.839 20.669 581 HE2 TYR 74 HE2 TYR 74 23.230 20.639 24.737 582 HH TYR 74 HH TYR 74 20.759 20.852 22.556 583 H LYS 75 H LYS 75 29.085 18.209 22.098 584 HA LYS 75 HA LYS 75 31.067 19.776 20.881 585 HB2 LYS 75 HB2 LYS 75 31.284 18.669 23.106 586 HB3 LYS 75 HB3 LYS 75 31.469 17.122 22.278 587 HG2 LYS 75 HG2 LYS 75 33.464 17.924 21.129 588 HG3 LYS 75 HG3 LYS 75 33.260 19.528 21.836 589 HD2 LYS 75 HD2 LYS 75 34.923 18.345 23.139 590 HD3 LYS 75 HD3 LYS 75 33.458 18.473 24.113 591 HE2 LYS 75 HE2 LYS 75 32.876 16.209 23.745 592 HE3 LYS 75 HE3 LYS 75 33.981 16.059 22.379 593 HZ1 LYS 75 HZ1 LYS 75 34.918 16.632 25.128 594 HZ2 LYS 75 HZ2 LYS 75 35.834 16.114 23.795 595 HZ3 LYS 75 HZ3 LYS 75 34.738 15.051 24.541 596 H ILE 76 H ILE 76 30.082 16.420 20.261 597 HA ILE 76 HA ILE 76 32.054 15.861 18.317 598 HB ILE 76 HB ILE 76 29.279 14.694 18.585 599 HG12 ILE 76 HG12 ILE 76 30.538 14.474 20.668 600 HG13 ILE 76 HG13 ILE 76 30.401 12.910 19.879 601 HG21 ILE 76 HG21 ILE 76 30.291 14.156 16.427 602 HG22 ILE 76 HG22 ILE 76 30.298 12.723 17.457 603 HG23 ILE 76 HG23 ILE 76 31.780 13.650 17.226 604 HD11 ILE 76 HD11 ILE 76 32.667 13.164 20.690 605 HD12 ILE 76 HD12 ILE 76 32.825 14.731 19.903 606 HD13 ILE 76 HD13 ILE 76 32.712 13.264 18.931 607 H VAL 77 H VAL 77 28.924 17.497 18.070 608 HA VAL 77 HA VAL 77 28.642 17.441 15.272 609 HB VAL 77 HB VAL 77 27.871 19.683 17.160 610 HG11 VAL 77 HG11 VAL 77 26.142 20.140 15.427 611 HG12 VAL 77 HG12 VAL 77 26.870 18.903 14.404 612 HG13 VAL 77 HG13 VAL 77 27.780 20.358 14.810 613 HG21 VAL 77 HG21 VAL 77 26.727 17.865 18.046 614 HG22 VAL 77 HG22 VAL 77 26.646 17.024 16.499 615 HG23 VAL 77 HG23 VAL 77 25.578 18.391 16.819 616 H LYS 78 H LYS 78 30.329 19.745 17.389 617 HA LYS 78 HA LYS 78 31.371 21.394 15.350 618 HB2 LYS 78 HB2 LYS 78 32.533 20.751 18.072 619 HB3 LYS 78 HB3 LYS 78 33.028 22.092 17.040 620 HG2 LYS 78 HG2 LYS 78 30.150 21.741 17.870 621 HG3 LYS 78 HG3 LYS 78 31.298 22.592 18.899 622 HD2 LYS 78 HD2 LYS 78 31.174 23.374 16.008 623 HD3 LYS 78 HD3 LYS 78 29.848 23.875 17.052 624 HE2 LYS 78 HE2 LYS 78 31.630 24.766 18.655 625 HE3 LYS 78 HE3 LYS 78 32.783 24.532 17.343 626 HZ1 LYS 78 HZ1 LYS 78 31.697 26.079 16.010 627 HZ2 LYS 78 HZ2 LYS 78 31.675 26.797 17.550 628 HZ3 LYS 78 HZ3 LYS 78 30.278 26.046 16.940 629 H GLU 79 H GLU 79 32.591 18.413 16.840 630 HA GLU 79 HA GLU 79 35.110 18.358 15.577 631 HB2 GLU 79 HB2 GLU 79 33.327 16.075 16.457 632 HB3 GLU 79 HB3 GLU 79 35.011 15.900 15.972 633 HG2 GLU 79 HG2 GLU 79 34.034 17.641 18.250 634 HG3 GLU 79 HG3 GLU 79 34.750 16.047 18.438 635 H VAL 80 H VAL 80 31.935 17.142 14.554 636 HA VAL 80 HA VAL 80 32.843 15.919 12.153 637 HB VAL 80 HB VAL 80 30.103 17.005 12.869 638 HG11 VAL 80 HG11 VAL 80 29.449 15.145 11.166 639 HG12 VAL 80 HG12 VAL 80 31.109 15.306 10.594 640 HG13 VAL 80 HG13 VAL 80 30.021 16.692 10.541 641 HG21 VAL 80 HG21 VAL 80 31.311 15.095 14.263 642 HG22 VAL 80 HG22 VAL 80 30.842 14.095 12.891 643 HG23 VAL 80 HG23 VAL 80 29.612 14.947 13.823 644 H ASP 81 H ASP 81 31.627 19.160 12.930 645 HA ASP 81 HA ASP 81 31.264 20.066 10.295 646 HB2 ASP 81 HB2 ASP 81 30.426 21.168 12.402 647 HB3 ASP 81 HB3 ASP 81 32.062 21.774 12.654 648 H ARG 82 H ARG 82 34.095 20.391 12.457 649 HA ARG 82 HA ARG 82 35.579 21.977 10.637 650 HB2 ARG 82 HB2 ARG 82 36.468 20.300 12.984 651 HB3 ARG 82 HB3 ARG 82 37.545 21.359 12.068 652 HG2 ARG 82 HG2 ARG 82 35.974 23.259 12.534 653 HG3 ARG 82 HG3 ARG 82 35.054 22.183 13.586 654 HD2 ARG 82 HD2 ARG 82 37.969 22.932 13.922 655 HD3 ARG 82 HD3 ARG 82 36.637 23.528 14.902 656 HE ARG 82 HE ARG 82 37.809 20.844 14.975 657 HH11 ARG 82 HH11 ARG 82 35.240 22.961 16.117 658 HH12 ARG 82 HH12 ARG 82 34.928 21.980 17.508 659 HH21 ARG 82 HH21 ARG 82 37.349 19.633 16.781 660 HH22 ARG 82 HH22 ARG 82 36.101 20.123 17.877 661 H LYS 83 H LYS 83 35.558 18.467 11.240 662 HA LYS 83 HA LYS 83 37.589 17.809 9.394 663 HB2 LYS 83 HB2 LYS 83 35.159 16.185 10.184 664 HB3 LYS 83 HB3 LYS 83 36.592 15.562 9.368 665 HG2 LYS 83 HG2 LYS 83 36.657 16.932 12.066 666 HG3 LYS 83 HG3 LYS 83 36.601 15.183 11.854 667 HD2 LYS 83 HD2 LYS 83 38.695 15.388 10.446 668 HD3 LYS 83 HD3 LYS 83 38.785 17.078 10.949 669 HE2 LYS 83 HE2 LYS 83 39.043 16.488 13.246 670 HE3 LYS 83 HE3 LYS 83 38.593 14.810 12.937 671 HZ1 LYS 83 HZ1 LYS 83 40.654 14.305 12.322 672 HZ2 LYS 83 HZ2 LYS 83 41.125 15.783 13.015 673 HZ3 LYS 83 HZ3 LYS 83 40.811 15.684 11.348 674 H LEU 84 H LEU 84 34.084 18.248 8.976 675 HA LEU 84 HA LEU 84 34.031 17.644 6.206 676 HB2 LEU 84 HB2 LEU 84 32.240 19.394 7.903 677 HB3 LEU 84 HB3 LEU 84 31.917 19.016 6.210 678 HG LEU 84 HG LEU 84 32.337 16.894 8.331 679 HD11 LEU 84 HD11 LEU 84 30.319 18.334 8.769 680 HD12 LEU 84 HD12 LEU 84 29.925 16.652 8.414 681 HD13 LEU 84 HD13 LEU 84 29.717 17.888 7.173 682 HD21 LEU 84 HD21 LEU 84 32.724 15.958 6.194 683 HD22 LEU 84 HD22 LEU 84 31.462 16.932 5.442 684 HD23 LEU 84 HD23 LEU 84 31.027 15.592 6.503 685 H LEU 85 H LEU 85 34.612 20.664 7.984 686 HA LEU 85 HA LEU 85 34.836 22.387 5.774 687 HB2 LEU 85 HB2 LEU 85 34.816 23.123 8.158 688 HB3 LEU 85 HB3 LEU 85 36.450 22.485 8.335 689 HG LEU 85 HG LEU 85 37.135 23.975 6.402 690 HD11 LEU 85 HD11 LEU 85 35.480 25.991 6.210 691 HD12 LEU 85 HD12 LEU 85 34.281 24.841 6.802 692 HD13 LEU 85 HD13 LEU 85 35.141 24.521 5.296 693 HD21 LEU 85 HD21 LEU 85 37.221 26.010 7.798 694 HD22 LEU 85 HD22 LEU 85 37.581 24.575 8.759 695 HD23 LEU 85 HD23 LEU 85 35.991 25.332 8.865 696 H ASP 86 H ASP 86 37.230 20.288 7.354 697 HA ASP 86 HA ASP 86 39.445 20.948 5.748 698 HB2 ASP 86 HB2 ASP 86 38.737 18.332 7.100 699 HB3 ASP 86 HB3 ASP 86 40.316 18.721 6.423 700 H LEU 87 H LEU 87 36.834 18.586 5.296 701 HA LEU 87 HA LEU 87 37.793 17.319 2.986 702 HB2 LEU 87 HB2 LEU 87 35.802 16.603 4.323 703 HB3 LEU 87 HB3 LEU 87 34.905 17.957 3.637 704 HG LEU 87 HG LEU 87 35.557 17.020 1.339 705 HD11 LEU 87 HD11 LEU 87 36.495 14.848 3.188 706 HD12 LEU 87 HD12 LEU 87 37.250 15.466 1.719 707 HD13 LEU 87 HD13 LEU 87 35.840 14.412 1.611 708 HD21 LEU 87 HD21 LEU 87 33.292 16.833 2.361 709 HD22 LEU 87 HD22 LEU 87 33.785 15.322 3.125 710 HD23 LEU 87 HD23 LEU 87 33.692 15.432 1.367 711 H THR 88 H THR 88 35.839 20.269 3.358 712 HA THR 88 HA THR 88 35.602 20.880 0.612 713 HB THR 88 HB THR 88 35.791 22.826 2.926 714 HG1 THR 88 HG1 THR 88 34.186 21.174 3.090 715 HG21 THR 88 HG21 THR 88 35.862 24.125 0.988 716 HG22 THR 88 HG22 THR 88 34.126 24.018 1.282 717 HG23 THR 88 HG23 THR 88 34.881 22.983 0.069 718 H ASP 89 H ASP 89 38.037 21.751 3.036 719 HA ASP 89 HA ASP 89 39.657 23.377 1.413 720 HB2 ASP 89 HB2 ASP 89 40.398 21.609 3.755 721 HB3 ASP 89 HB3 ASP 89 41.442 22.848 3.059 722 H ALA 90 H ALA 90 39.560 19.866 1.842 723 HA ALA 90 HA ALA 90 41.987 19.249 0.550 724 HB1 ALA 90 HB1 ALA 90 39.459 17.740 1.116 725 HB2 ALA 90 HB2 ALA 90 41.090 17.456 1.725 726 HB3 ALA 90 HB3 ALA 90 40.682 17.027 0.064 727 H VAL 91 H VAL 91 38.669 19.544 -0.718 728 HA VAL 91 HA VAL 91 39.335 18.873 -3.395 729 HB VAL 91 HB VAL 91 37.051 20.579 -2.363 730 HG11 VAL 91 HG11 VAL 91 35.980 19.654 -4.512 731 HG12 VAL 91 HG12 VAL 91 37.621 19.241 -5.012 732 HG13 VAL 91 HG13 VAL 91 37.187 20.924 -4.712 733 HG21 VAL 91 HG21 VAL 91 36.918 18.437 -1.309 734 HG22 VAL 91 HG22 VAL 91 37.392 17.602 -2.787 735 HG23 VAL 91 HG23 VAL 91 35.807 18.364 -2.676 736 H LEU 92 H LEU 92 39.070 21.978 -1.679 737 HA LEU 92 HA LEU 92 39.751 23.651 -3.844 738 HB2 LEU 92 HB2 LEU 92 40.264 24.008 -0.882 739 HB3 LEU 92 HB3 LEU 92 40.415 25.281 -2.094 740 HG LEU 92 HG LEU 92 37.871 23.704 -1.626 741 HD11 LEU 92 HD11 LEU 92 37.089 25.413 -0.230 742 HD12 LEU 92 HD12 LEU 92 38.282 26.572 -0.817 743 HD13 LEU 92 HD13 LEU 92 38.774 25.275 0.272 744 HD21 LEU 92 HD21 LEU 92 36.989 25.840 -2.830 745 HD22 LEU 92 HD22 LEU 92 37.790 24.608 -3.803 746 HD23 LEU 92 HD23 LEU 92 38.665 26.063 -3.329 747 H ALA 93 H ALA 93 41.759 21.877 -1.522 748 HA ALA 93 HA ALA 93 44.268 22.872 -2.340 749 HB1 ALA 93 HB1 ALA 93 44.294 21.684 -0.335 750 HB2 ALA 93 HB2 ALA 93 45.051 20.563 -1.465 751 HB3 ALA 93 HB3 ALA 93 43.362 20.343 -1.003 752 H LYS 94 H LYS 94 42.101 20.743 -3.970 753 HA LYS 94 HA LYS 94 42.192 19.730 -6.004 754 HB2 LYS 94 HB2 LYS 94 44.916 21.006 -6.366 755 HB3 LYS 94 HB3 LYS 94 43.867 20.354 -7.616 756 HG2 LYS 94 HG2 LYS 94 43.154 22.689 -5.824 757 HG3 LYS 94 HG3 LYS 94 43.734 22.831 -7.482 758 HD2 LYS 94 HD2 LYS 94 41.791 21.418 -8.215 759 HD3 LYS 94 HD3 LYS 94 41.177 21.489 -6.563 760 HE2 LYS 94 HE2 LYS 94 41.502 24.109 -6.924 761 HE3 LYS 94 HE3 LYS 94 41.338 23.655 -8.620 762 HZ1 LYS 94 HZ1 LYS 94 39.218 22.827 -8.278 763 HZ2 LYS 94 HZ2 LYS 94 39.239 24.210 -7.293 764 HZ3 LYS 94 HZ3 LYS 94 39.428 22.670 -6.602 765 H GLU 95 H GLU 95 42.760 18.199 -3.862 766 HA GLU 95 HA GLU 95 45.176 16.709 -4.074 767 HB2 GLU 95 HB2 GLU 95 42.479 15.920 -2.940 768 HB3 GLU 95 HB3 GLU 95 43.985 15.036 -2.691 769 HG2 GLU 95 HG2 GLU 95 43.512 17.921 -1.892 770 HG3 GLU 95 HG3 GLU 95 43.458 16.551 -0.791 771 H LYS 96 H LYS 96 45.740 15.611 -5.845 772 HA LYS 96 HA LYS 96 43.931 14.973 -7.927 773 HB2 LYS 96 HB2 LYS 96 46.714 13.883 -7.463 774 HB3 LYS 96 HB3 LYS 96 45.825 13.863 -8.985 775 HG2 LYS 96 HG2 LYS 96 46.614 16.374 -7.479 776 HG3 LYS 96 HG3 LYS 96 47.471 15.728 -8.877 777 HD2 LYS 96 HD2 LYS 96 45.324 15.905 -10.183 778 HD3 LYS 96 HD3 LYS 96 44.617 16.744 -8.801 779 HE2 LYS 96 HE2 LYS 96 47.084 17.637 -10.319 780 HE3 LYS 96 HE3 LYS 96 45.478 18.353 -10.459 781 HZ1 LYS 96 HZ1 LYS 96 45.710 18.559 -7.892 782 HZ2 LYS 96 HZ2 LYS 96 46.445 19.706 -8.908 783 HZ3 LYS 96 HZ3 LYS 96 47.372 18.461 -8.218 784 H LYS 97 H LYS 97 45.258 13.056 -5.275 785 HA LYS 97 HA LYS 97 44.351 10.561 -6.419 786 HB2 LYS 97 HB2 LYS 97 46.400 10.794 -4.980 787 HB3 LYS 97 HB3 LYS 97 45.332 11.084 -3.607 788 HG2 LYS 97 HG2 LYS 97 45.795 8.760 -3.525 789 HG3 LYS 97 HG3 LYS 97 44.192 8.867 -4.248 790 HD2 LYS 97 HD2 LYS 97 45.145 8.627 -6.486 791 HD3 LYS 97 HD3 LYS 97 46.776 8.619 -5.814 792 HE2 LYS 97 HE2 LYS 97 44.686 6.608 -4.972 793 HE3 LYS 97 HE3 LYS 97 45.747 6.331 -6.353 794 HZ1 LYS 97 HZ1 LYS 97 46.318 6.140 -3.566 795 HZ2 LYS 97 HZ2 LYS 97 47.409 7.177 -4.353 796 HZ3 LYS 97 HZ3 LYS 97 47.217 5.577 -4.890 797 H GLY 98 H GLY 98 42.395 9.705 -6.218 798 HA2 GLY 98 HA2 GLY 98 40.261 11.008 -4.908 799 HA3 GLY 98 HA3 GLY 98 40.218 9.376 -5.563 800 H GLU 99 H GLU 99 42.354 8.346 -3.917 801 HA GLU 99 HA GLU 99 40.915 7.347 -1.762 802 HB2 GLU 99 HB2 GLU 99 43.909 7.625 -2.080 803 HB3 GLU 99 HB3 GLU 99 43.115 6.626 -0.862 804 HG2 GLU 99 HG2 GLU 99 41.957 5.383 -2.679 805 HG3 GLU 99 HG3 GLU 99 42.837 6.336 -3.866 806 H ASP 100 H ASP 100 42.850 10.293 -1.961 807 HA ASP 100 HA ASP 100 43.222 10.824 0.752 808 HB2 ASP 100 HB2 ASP 100 42.728 12.729 -1.544 809 HB3 ASP 100 HB3 ASP 100 43.251 13.232 0.061 810 H ILE 101 H ILE 101 40.417 11.533 -1.326 811 HA ILE 101 HA ILE 101 38.902 12.839 0.692 812 HB ILE 101 HB ILE 101 37.899 11.311 -1.727 813 HG12 ILE 101 HG12 ILE 101 37.695 13.949 -2.401 814 HG13 ILE 101 HG13 ILE 101 39.120 14.021 -1.372 815 HG21 ILE 101 HG21 ILE 101 36.203 11.812 0.061 816 HG22 ILE 101 HG22 ILE 101 35.871 12.607 -1.475 817 HG23 ILE 101 HG23 ILE 101 36.569 13.525 -0.143 818 HD11 ILE 101 HD11 ILE 101 39.270 13.500 -3.987 819 HD12 ILE 101 HD12 ILE 101 39.016 11.851 -3.419 820 HD13 ILE 101 HD13 ILE 101 40.395 12.783 -2.832 821 H LEU 102 H LEU 102 38.909 9.467 -0.484 822 HA LEU 102 HA LEU 102 36.820 8.521 1.112 823 HB2 LEU 102 HB2 LEU 102 39.274 7.009 0.188 824 HB3 LEU 102 HB3 LEU 102 37.759 6.289 0.725 825 HG LEU 102 HG LEU 102 38.028 8.169 -1.640 826 HD11 LEU 102 HD11 LEU 102 39.068 5.782 -1.758 827 HD12 LEU 102 HD12 LEU 102 37.982 6.289 -3.053 828 HD13 LEU 102 HD13 LEU 102 37.394 5.227 -1.775 829 HD21 LEU 102 HD21 LEU 102 35.806 8.360 -0.900 830 HD22 LEU 102 HD22 LEU 102 35.748 6.687 -0.344 831 HD23 LEU 102 HD23 LEU 102 35.699 7.046 -2.070 832 H ASN 103 H ASN 103 40.288 8.764 1.815 833 HA ASN 103 HA ASN 103 40.248 7.386 4.273 834 HB2 ASN 103 HB2 ASN 103 42.071 9.589 3.289 835 HB3 ASN 103 HB3 ASN 103 42.360 8.634 4.742 836 HD21 ASN 103 HD21 ASN 103 44.139 8.631 2.446 837 HD22 ASN 103 HD22 ASN 103 44.119 7.066 1.789 838 H MET 104 H MET 104 39.756 10.818 3.494 839 HA MET 104 HA MET 104 39.555 11.652 6.220 840 HB2 MET 104 HB2 MET 104 40.073 13.132 4.209 841 HB3 MET 104 HB3 MET 104 38.343 13.088 3.861 842 HG2 MET 104 HG2 MET 104 37.921 13.880 6.213 843 HG3 MET 104 HG3 MET 104 39.662 14.094 6.397 844 HE1 MET 104 HE1 MET 104 40.398 15.244 3.234 845 HE2 MET 104 HE2 MET 104 41.078 15.227 4.859 846 HE3 MET 104 HE3 MET 104 40.719 16.764 4.076 847 H VAL 105 H VAL 105 37.199 10.685 3.757 848 HA VAL 105 HA VAL 105 34.857 11.420 5.115 849 HB VAL 105 HB VAL 105 35.328 9.108 3.213 850 HG11 VAL 105 HG11 VAL 105 32.910 9.181 2.808 851 HG12 VAL 105 HG12 VAL 105 32.731 10.472 3.996 852 HG13 VAL 105 HG13 VAL 105 33.220 8.859 4.515 853 HG21 VAL 105 HG21 VAL 105 33.999 11.708 2.504 854 HG22 VAL 105 HG22 VAL 105 34.887 10.587 1.473 855 HG23 VAL 105 HG23 VAL 105 35.756 11.643 2.583 856 H ALA 106 H ALA 106 36.863 8.505 5.375 857 HA ALA 106 HA ALA 106 35.210 6.955 7.008 858 HB1 ALA 106 HB1 ALA 106 38.181 7.076 7.440 859 HB2 ALA 106 HB2 ALA 106 37.520 6.413 5.945 860 HB3 ALA 106 HB3 ALA 106 37.107 5.678 7.494 861 H GLU 107 H GLU 107 37.469 9.555 7.866 862 HA GLU 107 HA GLU 107 37.177 9.355 10.675 863 HB2 GLU 107 HB2 GLU 107 37.843 11.742 8.938 864 HB3 GLU 107 HB3 GLU 107 38.016 11.693 10.693 865 HG2 GLU 107 HG2 GLU 107 39.548 9.748 10.460 866 HG3 GLU 107 HG3 GLU 107 39.425 9.884 8.711 867 H ILE 108 H ILE 108 35.363 11.128 8.201 868 HA ILE 108 HA ILE 108 33.754 12.677 9.917 869 HB ILE 108 HB ILE 108 32.983 11.521 7.227 870 HG12 ILE 108 HG12 ILE 108 35.127 12.703 7.049 871 HG13 ILE 108 HG13 ILE 108 33.849 13.636 6.281 872 HG21 ILE 108 HG21 ILE 108 31.576 13.586 7.113 873 HG22 ILE 108 HG22 ILE 108 32.021 13.934 8.784 874 HG23 ILE 108 HG23 ILE 108 31.094 12.483 8.402 875 HD11 ILE 108 HD11 ILE 108 35.269 15.110 7.618 876 HD12 ILE 108 HD12 ILE 108 34.998 14.120 9.047 877 HD13 ILE 108 HD13 ILE 108 33.664 15.030 8.338 878 H LYS 109 H LYS 109 33.162 9.486 8.447 879 HA LYS 109 HA LYS 109 30.632 9.055 9.600 880 HB2 LYS 109 HB2 LYS 109 32.727 7.036 8.766 881 HB3 LYS 109 HB3 LYS 109 31.032 6.671 9.094 882 HG2 LYS 109 HG2 LYS 109 30.425 8.387 7.331 883 HG3 LYS 109 HG3 LYS 109 32.136 8.449 6.907 884 HD2 LYS 109 HD2 LYS 109 30.462 5.920 6.912 885 HD3 LYS 109 HD3 LYS 109 30.837 6.866 5.471 886 HE2 LYS 109 HE2 LYS 109 33.314 6.586 6.187 887 HE3 LYS 109 HE3 LYS 109 32.717 5.288 7.221 888 HZ1 LYS 109 HZ1 LYS 109 31.910 4.109 5.378 889 HZ2 LYS 109 HZ2 LYS 109 33.456 4.639 4.915 890 HZ3 LYS 109 HZ3 LYS 109 32.073 5.438 4.335 891 H ALA 110 H ALA 110 33.887 8.426 10.826 892 HA ALA 110 HA ALA 110 33.198 6.838 13.042 893 HB1 ALA 110 HB1 ALA 110 35.520 7.214 12.216 894 HB2 ALA 110 HB2 ALA 110 35.358 7.467 13.953 895 HB3 ALA 110 HB3 ALA 110 35.451 8.851 12.865 896 H LEU 111 H LEU 111 33.336 10.359 12.651 897 HA LEU 111 HA LEU 111 32.742 10.968 15.376 898 HB2 LEU 111 HB2 LEU 111 32.338 12.625 12.875 899 HB3 LEU 111 HB3 LEU 111 32.301 13.236 14.529 900 HG LEU 111 HG LEU 111 34.684 11.846 13.267 901 HD11 LEU 111 HD11 LEU 111 34.540 13.923 12.153 902 HD12 LEU 111 HD12 LEU 111 35.629 14.251 13.502 903 HD13 LEU 111 HD13 LEU 111 33.940 14.752 13.590 904 HD21 LEU 111 HD21 LEU 111 34.846 11.561 15.609 905 HD22 LEU 111 HD22 LEU 111 34.142 13.144 15.939 906 HD23 LEU 111 HD23 LEU 111 35.784 13.023 15.306 907 H LEU 112 H LEU 112 30.769 10.485 12.478 908 HA LEU 112 HA LEU 112 28.332 11.446 13.555 909 HB2 LEU 112 HB2 LEU 112 28.871 9.461 11.338 910 HB3 LEU 112 HB3 LEU 112 27.290 10.159 11.690 911 HG LEU 112 HG LEU 112 29.749 11.823 11.096 912 HD11 LEU 112 HD11 LEU 112 28.816 10.245 9.223 913 HD12 LEU 112 HD12 LEU 112 29.115 11.941 8.844 914 HD13 LEU 112 HD13 LEU 112 27.473 11.388 9.176 915 HD21 LEU 112 HD21 LEU 112 27.760 13.440 10.519 916 HD22 LEU 112 HD22 LEU 112 28.218 13.203 12.206 917 HD23 LEU 112 HD23 LEU 112 26.825 12.352 11.543 918 H ILE 113 H ILE 113 29.704 8.164 13.349 919 HA ILE 113 HA ILE 113 27.476 6.860 14.497 920 HB ILE 113 HB ILE 113 29.211 5.694 13.205 921 HG12 ILE 113 HG12 ILE 113 29.146 4.565 16.003 922 HG13 ILE 113 HG13 ILE 113 27.712 4.586 14.975 923 HG21 ILE 113 HG21 ILE 113 31.224 6.756 13.946 924 HG22 ILE 113 HG22 ILE 113 31.323 5.069 14.446 925 HG23 ILE 113 HG23 ILE 113 30.917 6.313 15.626 926 HD11 ILE 113 HD11 ILE 113 28.676 3.144 13.386 927 HD12 ILE 113 HD12 ILE 113 29.226 2.472 14.921 928 HD13 ILE 113 HD13 ILE 113 30.315 3.467 13.953 929 H ASN 114 H ASN 114 30.208 8.522 15.961 930 HA ASN 114 HA ASN 114 30.034 7.533 18.570 931 HB2 ASN 114 HB2 ASN 114 30.712 10.320 17.612 932 HB3 ASN 114 HB3 ASN 114 30.959 9.745 19.259 933 HD21 ASN 114 HD21 ASN 114 31.925 7.119 18.747 934 HD22 ASN 114 HD22 ASN 114 33.409 7.236 17.933 935 H ILE 115 H ILE 115 28.047 9.945 16.915 936 HA ILE 115 HA ILE 115 26.724 11.030 19.143 937 HB ILE 115 HB ILE 115 25.479 10.506 16.435 938 HG12 ILE 115 HG12 ILE 115 27.621 11.660 16.105 939 HG13 ILE 115 HG13 ILE 115 26.283 12.761 15.812 940 HG21 ILE 115 HG21 ILE 115 24.282 12.667 17.063 941 HG22 ILE 115 HG22 ILE 115 24.927 12.440 18.688 942 HG23 ILE 115 HG23 ILE 115 23.838 11.237 17.997 943 HD11 ILE 115 HD11 ILE 115 28.019 13.865 17.136 944 HD12 ILE 115 HD12 ILE 115 27.921 12.599 18.360 945 HD13 ILE 115 HD13 ILE 115 26.554 13.685 18.099 946 H TYR 116 H TYR 116 25.811 8.309 17.044 947 HA TYR 116 HA TYR 116 23.468 7.575 18.423 948 HB2 TYR 116 HB2 TYR 116 24.037 6.803 16.156 949 HB3 TYR 116 HB3 TYR 116 25.350 5.847 16.816 950 HD1 TYR 116 HD1 TYR 116 24.834 3.588 16.633 951 HD2 TYR 116 HD2 TYR 116 21.780 6.347 17.861 952 HE1 TYR 116 HE1 TYR 116 23.266 1.698 16.976 953 HE2 TYR 116 HE2 TYR 116 20.211 4.458 18.205 954 HH TYR 116 HH TYR 116 21.026 1.226 17.274 955 H LYS 117 H LYS 117 26.841 6.588 18.820 956 HA LYS 117 HA LYS 117 26.099 5.257 21.360 957 HB2 LYS 117 HB2 LYS 117 28.108 4.321 19.296 958 HB3 LYS 117 HB3 LYS 117 27.888 3.602 20.893 959 HG2 LYS 117 HG2 LYS 117 25.601 2.992 20.370 960 HG3 LYS 117 HG3 LYS 117 25.674 3.864 18.839 961 HD2 LYS 117 HD2 LYS 117 26.009 1.582 18.265 962 HD3 LYS 117 HD3 LYS 117 27.613 2.309 18.219 963 HE2 LYS 117 HE2 LYS 117 28.109 0.459 19.491 964 HE3 LYS 117 HE3 LYS 117 27.604 1.532 20.794 965 HZ1 LYS 117 HZ1 LYS 117 25.415 0.605 20.725 966 HZ2 LYS 117 HZ2 LYS 117 26.530 -0.669 20.859 967 HZ3 LYS 117 HZ3 LYS 117 25.793 -0.335 19.364 Start of MODEL 8 1 H GLU 1 H GLU 1 10.283 -1.066 0.286 2 HA GLU 1 HA GLU 1 8.394 -1.952 1.276 3 HB2 GLU 1 HB2 GLU 1 10.390 -3.820 2.576 4 HB3 GLU 1 HB3 GLU 1 8.637 -4.000 2.655 5 HG2 GLU 1 HG2 GLU 1 8.564 -4.100 0.170 6 HG3 GLU 1 HG3 GLU 1 10.320 -4.015 0.135 7 H ALA 2 H ALA 2 7.278 -2.021 3.369 8 HA ALA 2 HA ALA 2 8.531 -0.157 5.280 9 HB1 ALA 2 HB1 ALA 2 5.645 -0.898 4.763 10 HB2 ALA 2 HB2 ALA 2 6.428 0.649 4.442 11 HB3 ALA 2 HB3 ALA 2 6.166 0.121 6.105 12 H ALA 3 H ALA 3 8.556 -0.596 7.491 13 HA ALA 3 HA ALA 3 7.727 -3.290 8.348 14 HB1 ALA 3 HB1 ALA 3 10.490 -2.103 8.548 15 HB2 ALA 3 HB2 ALA 3 10.015 -3.679 7.913 16 HB3 ALA 3 HB3 ALA 3 9.944 -3.368 9.648 17 H ALA 4 H ALA 4 7.396 -3.492 10.616 18 HA ALA 4 HA ALA 4 6.831 -0.908 11.921 19 HB1 ALA 4 HB1 ALA 4 4.871 -2.241 11.812 20 HB2 ALA 4 HB2 ALA 4 5.451 -2.394 13.471 21 HB3 ALA 4 HB3 ALA 4 5.739 -3.693 12.312 22 H ALA 5 H ALA 5 7.685 -0.377 13.873 23 HA ALA 5 HA ALA 5 9.071 -2.282 15.531 24 HB1 ALA 5 HB1 ALA 5 11.271 -1.664 15.184 25 HB2 ALA 5 HB2 ALA 5 10.836 -0.076 14.551 26 HB3 ALA 5 HB3 ALA 5 10.641 -1.511 13.544 27 H ALA 6 H ALA 6 10.052 -1.175 17.456 28 HA ALA 6 HA ALA 6 8.284 0.612 18.683 29 HB1 ALA 6 HB1 ALA 6 9.876 0.767 20.446 30 HB2 ALA 6 HB2 ALA 6 11.217 0.395 19.363 31 HB3 ALA 6 HB3 ALA 6 10.052 -0.859 19.787 32 H ARG 7 H ARG 7 8.655 2.865 19.324 33 HA ARG 7 HA ARG 7 9.058 4.543 17.136 34 HB2 ARG 7 HB2 ARG 7 9.359 5.247 20.065 35 HB3 ARG 7 HB3 ARG 7 9.090 6.388 18.751 36 HG2 ARG 7 HG2 ARG 7 7.186 4.135 19.441 37 HG3 ARG 7 HG3 ARG 7 7.001 5.791 20.015 38 HD2 ARG 7 HD2 ARG 7 6.982 6.554 17.625 39 HD3 ARG 7 HD3 ARG 7 6.996 4.864 17.130 40 HE ARG 7 HE ARG 7 4.771 4.689 17.761 41 HH11 ARG 7 HH11 ARG 7 6.053 7.717 18.992 42 HH12 ARG 7 HH12 ARG 7 4.490 8.310 19.446 43 HH21 ARG 7 HH21 ARG 7 2.786 5.506 18.363 44 HH22 ARG 7 HH22 ARG 7 2.663 7.073 19.093 45 H ASP 8 H ASP 8 11.348 3.565 19.656 46 HA ASP 8 HA ASP 8 13.486 5.228 18.806 47 HB2 ASP 8 HB2 ASP 8 13.376 4.054 21.012 48 HB3 ASP 8 HB3 ASP 8 13.669 2.533 20.169 49 H GLU 9 H GLU 9 12.508 1.928 17.970 50 HA GLU 9 HA GLU 9 14.793 1.383 16.344 51 HB2 GLU 9 HB2 GLU 9 12.078 0.055 16.472 52 HB3 GLU 9 HB3 GLU 9 13.463 -0.575 15.581 53 HG2 GLU 9 HG2 GLU 9 14.770 -0.607 17.700 54 HG3 GLU 9 HG3 GLU 9 13.338 -0.070 18.567 55 H SER 10 H SER 10 11.518 2.567 15.671 56 HA SER 10 HA SER 10 11.585 2.229 12.878 57 HB2 SER 10 HB2 SER 10 9.705 3.750 12.802 58 HB3 SER 10 HB3 SER 10 9.534 2.714 14.214 59 HG SER 10 HG SER 10 10.543 4.472 15.347 60 H ALA 11 H ALA 11 12.521 4.990 14.918 61 HA ALA 11 HA ALA 11 13.374 6.638 12.755 62 HB1 ALA 11 HB1 ALA 11 13.904 6.617 15.715 63 HB2 ALA 11 HB2 ALA 11 13.011 7.799 14.757 64 HB3 ALA 11 HB3 ALA 11 14.771 7.725 14.651 65 H TYR 12 H TYR 12 14.996 4.272 14.818 66 HA TYR 12 HA TYR 12 17.642 4.736 13.998 67 HB2 TYR 12 HB2 TYR 12 16.917 3.372 15.954 68 HB3 TYR 12 HB3 TYR 12 16.399 2.119 14.844 69 HD1 TYR 12 HD1 TYR 12 17.926 0.486 14.095 70 HD2 TYR 12 HD2 TYR 12 19.377 4.090 15.924 71 HE1 TYR 12 HE1 TYR 12 20.221 -0.454 14.127 72 HE2 TYR 12 HE2 TYR 12 21.672 3.149 15.959 73 HH TYR 12 HH TYR 12 22.659 0.759 15.916 74 H LEU 13 H LEU 13 15.108 2.661 12.639 75 HA LEU 13 HA LEU 13 16.683 1.316 10.738 76 HB2 LEU 13 HB2 LEU 13 13.753 2.062 10.704 77 HB3 LEU 13 HB3 LEU 13 14.509 1.000 9.518 78 HG LEU 13 HG LEU 13 14.817 0.452 12.462 79 HD11 LEU 13 HD11 LEU 13 12.784 -0.708 12.574 80 HD12 LEU 13 HD12 LEU 13 12.645 -0.830 10.820 81 HD13 LEU 13 HD13 LEU 13 12.340 0.710 11.624 82 HD21 LEU 13 HD21 LEU 13 14.569 -1.550 10.230 83 HD22 LEU 13 HD22 LEU 13 15.448 -1.686 11.753 84 HD23 LEU 13 HD23 LEU 13 16.087 -0.679 10.454 85 H LYS 14 H LYS 14 14.966 4.419 10.556 86 HA LYS 14 HA LYS 14 15.388 4.959 7.834 87 HB2 LYS 14 HB2 LYS 14 15.327 6.931 10.131 88 HB3 LYS 14 HB3 LYS 14 15.087 7.320 8.430 89 HG2 LYS 14 HG2 LYS 14 13.343 5.429 10.028 90 HG3 LYS 14 HG3 LYS 14 12.938 7.108 9.675 91 HD2 LYS 14 HD2 LYS 14 13.163 6.548 7.219 92 HD3 LYS 14 HD3 LYS 14 13.302 4.854 7.685 93 HE2 LYS 14 HE2 LYS 14 11.100 4.717 8.394 94 HE3 LYS 14 HE3 LYS 14 10.995 6.441 8.753 95 HZ1 LYS 14 HZ1 LYS 14 10.624 6.969 6.580 96 HZ2 LYS 14 HZ2 LYS 14 9.872 5.447 6.637 97 HZ3 LYS 14 HZ3 LYS 14 11.430 5.603 5.977 98 H LEU 15 H LEU 15 17.470 5.491 10.647 99 HA LEU 15 HA LEU 15 19.444 7.041 9.363 100 HB2 LEU 15 HB2 LEU 15 19.134 6.562 11.879 101 HB3 LEU 15 HB3 LEU 15 20.031 5.076 11.569 102 HG LEU 15 HG LEU 15 21.710 6.750 10.347 103 HD11 LEU 15 HD11 LEU 15 21.738 8.941 11.173 104 HD12 LEU 15 HD12 LEU 15 20.747 8.532 12.573 105 HD13 LEU 15 HD13 LEU 15 20.012 8.641 10.972 106 HD21 LEU 15 HD21 LEU 15 21.977 5.272 12.483 107 HD22 LEU 15 HD22 LEU 15 21.739 6.785 13.358 108 HD23 LEU 15 HD23 LEU 15 23.090 6.617 12.237 109 H GLN 16 H GLN 16 19.017 3.543 9.682 110 HA GLN 16 HA GLN 16 21.565 2.764 8.748 111 HB2 GLN 16 HB2 GLN 16 18.911 1.316 8.675 112 HB3 GLN 16 HB3 GLN 16 20.465 0.568 8.310 113 HG2 GLN 16 HG2 GLN 16 21.281 1.097 10.554 114 HG3 GLN 16 HG3 GLN 16 19.775 1.930 10.927 115 HE21 GLN 16 HE21 GLN 16 20.797 -0.408 12.373 116 HE22 GLN 16 HE22 GLN 16 19.657 -1.647 12.163 117 H GLU 17 H GLU 17 18.477 3.231 7.034 118 HA GLU 17 HA GLU 17 19.395 2.226 4.545 119 HB2 GLU 17 HB2 GLU 17 17.134 4.136 5.179 120 HB3 GLU 17 HB3 GLU 17 17.396 3.370 3.611 121 HG2 GLU 17 HG2 GLU 17 17.253 1.142 4.710 122 HG3 GLU 17 HG3 GLU 17 16.898 1.941 6.236 123 H GLN 18 H GLN 18 19.222 5.504 5.892 124 HA GLN 18 HA GLN 18 20.130 6.807 3.529 125 HB2 GLN 18 HB2 GLN 18 18.897 7.938 5.382 126 HB3 GLN 18 HB3 GLN 18 20.342 7.786 6.383 127 HG2 GLN 18 HG2 GLN 18 21.637 9.084 4.766 128 HG3 GLN 18 HG3 GLN 18 20.242 9.189 3.698 129 HE21 GLN 18 HE21 GLN 18 21.301 11.591 4.442 130 HE22 GLN 18 HE22 GLN 18 20.329 12.355 5.602 131 H MET 19 H MET 19 21.767 5.547 6.404 132 HA MET 19 HA MET 19 24.287 6.693 5.976 133 HB2 MET 19 HB2 MET 19 23.546 5.481 8.048 134 HB3 MET 19 HB3 MET 19 23.777 3.965 7.175 135 HG2 MET 19 HG2 MET 19 26.142 4.613 6.737 136 HG3 MET 19 HG3 MET 19 25.897 6.065 7.708 137 HE1 MET 19 HE1 MET 19 28.272 3.579 9.025 138 HE2 MET 19 HE2 MET 19 27.908 4.843 10.197 139 HE3 MET 19 HE3 MET 19 27.959 5.232 8.479 140 H ARG 20 H ARG 20 22.881 3.690 4.716 141 HA ARG 20 HA ARG 20 25.166 2.648 3.459 142 HB2 ARG 20 HB2 ARG 20 22.750 1.671 3.746 143 HB3 ARG 20 HB3 ARG 20 22.451 2.448 2.193 144 HG2 ARG 20 HG2 ARG 20 24.911 0.763 2.486 145 HG3 ARG 20 HG3 ARG 20 23.354 -0.047 2.315 146 HD2 ARG 20 HD2 ARG 20 24.466 2.029 0.404 147 HD3 ARG 20 HD3 ARG 20 24.443 0.292 0.126 148 HE ARG 20 HE ARG 20 21.822 1.182 0.708 149 HH11 ARG 20 HH11 ARG 20 24.199 1.359 -1.870 150 HH12 ARG 20 HH12 ARG 20 22.996 1.535 -3.103 151 HH21 ARG 20 HH21 ARG 20 20.317 1.412 -0.926 152 HH22 ARG 20 HH22 ARG 20 20.827 1.565 -2.574 153 H LYS 21 H LYS 21 22.735 4.966 2.311 154 HA LYS 21 HA LYS 21 23.703 5.312 -0.303 155 HB2 LYS 21 HB2 LYS 21 21.517 6.159 0.544 156 HB3 LYS 21 HB3 LYS 21 22.388 7.384 1.467 157 HG2 LYS 21 HG2 LYS 21 23.309 8.336 -0.575 158 HG3 LYS 21 HG3 LYS 21 22.581 7.052 -1.540 159 HD2 LYS 21 HD2 LYS 21 21.144 8.965 -1.735 160 HD3 LYS 21 HD3 LYS 21 20.328 7.810 -0.690 161 HE2 LYS 21 HE2 LYS 21 20.102 9.499 0.788 162 HE3 LYS 21 HE3 LYS 21 21.828 9.367 1.098 163 HZ1 LYS 21 HZ1 LYS 21 20.655 11.576 0.212 164 HZ2 LYS 21 HZ2 LYS 21 21.074 10.864 -1.272 165 HZ3 LYS 21 HZ3 LYS 21 22.274 11.189 -0.115 166 H ILE 22 H ILE 22 24.524 6.966 2.731 167 HA ILE 22 HA ILE 22 26.355 8.817 1.642 168 HB ILE 22 HB ILE 22 26.262 7.564 4.398 169 HG12 ILE 22 HG12 ILE 22 25.191 10.226 3.424 170 HG13 ILE 22 HG13 ILE 22 24.205 8.772 3.583 171 HG21 ILE 22 HG21 ILE 22 28.287 8.580 4.613 172 HG22 ILE 22 HG22 ILE 22 27.355 10.066 4.735 173 HG23 ILE 22 HG23 ILE 22 28.058 9.590 3.193 174 HD11 ILE 22 HD11 ILE 22 25.623 10.300 5.774 175 HD12 ILE 22 HD12 ILE 22 24.997 8.668 6.011 176 HD13 ILE 22 HD13 ILE 22 23.895 9.986 5.615 177 H ASP 23 H ASP 23 26.774 5.515 2.878 178 HA ASP 23 HA ASP 23 29.574 5.399 2.755 179 HB2 ASP 23 HB2 ASP 23 27.529 3.204 2.349 180 HB3 ASP 23 HB3 ASP 23 29.252 2.938 2.601 181 H ALA 24 H ALA 24 27.118 4.730 0.283 182 HA ALA 24 HA ALA 24 28.984 3.917 -1.723 183 HB1 ALA 24 HB1 ALA 24 27.105 4.092 -3.258 184 HB2 ALA 24 HB2 ALA 24 26.187 5.020 -2.072 185 HB3 ALA 24 HB3 ALA 24 26.568 3.326 -1.762 186 H ASP 25 H ASP 25 27.277 6.962 -1.042 187 HA ASP 25 HA ASP 25 28.295 8.430 -3.217 188 HB2 ASP 25 HB2 ASP 25 27.370 9.347 -0.490 189 HB3 ASP 25 HB3 ASP 25 27.719 10.431 -1.832 190 H ALA 26 H ALA 26 29.584 7.858 0.028 191 HA ALA 26 HA ALA 26 31.629 9.787 -0.009 192 HB1 ALA 26 HB1 ALA 26 31.295 8.859 2.092 193 HB2 ALA 26 HB2 ALA 26 32.758 8.020 1.576 194 HB3 ALA 26 HB3 ALA 26 31.194 7.214 1.463 195 H ALA 27 H ALA 27 31.572 6.428 -1.153 196 HA ALA 27 HA ALA 27 34.306 6.305 -1.901 197 HB1 ALA 27 HB1 ALA 27 31.866 4.768 -2.798 198 HB2 ALA 27 HB2 ALA 27 33.134 4.243 -1.691 199 HB3 ALA 27 HB3 ALA 27 33.484 4.425 -3.410 200 H ALA 28 H ALA 28 31.365 7.247 -3.638 201 HA ALA 28 HA ALA 28 32.564 7.553 -6.187 202 HB1 ALA 28 HB1 ALA 28 30.241 7.433 -6.263 203 HB2 ALA 28 HB2 ALA 28 30.525 9.159 -6.488 204 HB3 ALA 28 HB3 ALA 28 30.039 8.544 -4.908 205 H LEU 29 H LEU 29 32.148 9.761 -3.454 206 HA LEU 29 HA LEU 29 32.765 12.166 -4.762 207 HB2 LEU 29 HB2 LEU 29 31.982 11.608 -2.280 208 HB3 LEU 29 HB3 LEU 29 33.706 11.705 -1.959 209 HG LEU 29 HG LEU 29 32.790 13.865 -1.526 210 HD11 LEU 29 HD11 LEU 29 34.077 15.277 -2.913 211 HD12 LEU 29 HD12 LEU 29 33.923 14.200 -4.301 212 HD13 LEU 29 HD13 LEU 29 34.929 13.733 -2.930 213 HD21 LEU 29 HD21 LEU 29 31.217 13.332 -4.000 214 HD22 LEU 29 HD22 LEU 29 31.651 15.010 -3.679 215 HD23 LEU 29 HD23 LEU 29 30.733 14.092 -2.489 216 H SER 30 H SER 30 34.875 9.744 -3.248 217 HA SER 30 HA SER 30 37.293 11.183 -3.538 218 HB2 SER 30 HB2 SER 30 38.394 9.066 -3.128 219 HB3 SER 30 HB3 SER 30 36.979 9.172 -2.088 220 HG SER 30 HG SER 30 36.423 7.409 -3.057 221 H GLU 31 H GLU 31 35.590 8.929 -5.677 222 HA GLU 31 HA GLU 31 37.671 8.823 -7.638 223 HB2 GLU 31 HB2 GLU 31 35.914 7.070 -7.352 224 HB3 GLU 31 HB3 GLU 31 34.731 8.210 -7.993 225 HG2 GLU 31 HG2 GLU 31 36.102 8.419 -10.062 226 HG3 GLU 31 HG3 GLU 31 37.202 7.202 -9.428 227 H THR 32 H THR 32 34.660 10.677 -7.323 228 HA THR 32 HA THR 32 34.910 11.885 -9.917 229 HB THR 32 HB THR 32 32.997 13.261 -9.202 230 HG1 THR 32 HG1 THR 32 32.240 12.556 -7.046 231 HG21 THR 32 HG21 THR 32 32.540 11.043 -10.082 232 HG22 THR 32 HG22 THR 32 31.432 11.366 -8.748 233 HG23 THR 32 HG23 THR 32 32.830 10.318 -8.502 234 H ARG 33 H ARG 33 35.758 12.836 -6.621 235 HA ARG 33 HA ARG 33 36.827 14.693 -5.780 236 HB2 ARG 33 HB2 ARG 33 37.974 14.709 -8.582 237 HB3 ARG 33 HB3 ARG 33 38.592 15.667 -7.235 238 HG2 ARG 33 HG2 ARG 33 38.986 13.579 -5.953 239 HG3 ARG 33 HG3 ARG 33 38.426 12.640 -7.339 240 HD2 ARG 33 HD2 ARG 33 40.832 12.702 -7.445 241 HD3 ARG 33 HD3 ARG 33 40.220 13.756 -8.716 242 HE ARG 33 HE ARG 33 40.622 15.292 -6.389 243 HH11 ARG 33 HH11 ARG 33 42.538 13.591 -8.789 244 HH12 ARG 33 HH12 ARG 33 43.903 14.638 -8.586 245 HH21 ARG 33 HH21 ARG 33 42.412 16.606 -6.171 246 HH22 ARG 33 HH22 ARG 33 43.831 16.323 -7.123 247 H THR 34 H THR 34 34.206 15.145 -6.641 248 HA THR 34 HA THR 34 34.259 17.623 -8.208 249 HB THR 34 HB THR 34 32.639 15.910 -8.874 250 HG1 THR 34 HG1 THR 34 31.157 17.384 -9.136 251 HG21 THR 34 HG21 THR 34 31.520 16.310 -6.084 252 HG22 THR 34 HG22 THR 34 32.286 14.843 -6.693 253 HG23 THR 34 HG23 THR 34 30.746 15.375 -7.364 254 H ILE 35 H ILE 35 32.719 19.368 -7.484 255 HA ILE 35 HA ILE 35 32.842 19.719 -4.547 256 HB ILE 35 HB ILE 35 34.659 20.966 -5.648 257 HG12 ILE 35 HG12 ILE 35 34.025 23.236 -4.754 258 HG13 ILE 35 HG13 ILE 35 32.393 22.618 -4.499 259 HG21 ILE 35 HG21 ILE 35 34.226 22.719 -7.230 260 HG22 ILE 35 HG22 ILE 35 32.482 22.564 -7.015 261 HG23 ILE 35 HG23 ILE 35 33.388 21.283 -7.819 262 HD11 ILE 35 HD11 ILE 35 34.718 21.078 -3.390 263 HD12 ILE 35 HD12 ILE 35 33.056 21.169 -2.804 264 HD13 ILE 35 HD13 ILE 35 34.160 22.520 -2.541 265 H GLU 36 H GLU 36 31.261 20.675 -7.586 266 HA GLU 36 HA GLU 36 29.236 22.264 -6.418 267 HB2 GLU 36 HB2 GLU 36 29.232 20.680 -8.998 268 HB3 GLU 36 HB3 GLU 36 28.024 21.888 -8.556 269 HG2 GLU 36 HG2 GLU 36 29.835 23.582 -8.350 270 HG3 GLU 36 HG3 GLU 36 30.997 22.375 -8.884 271 H GLU 37 H GLU 37 29.367 18.817 -7.247 272 HA GLU 37 HA GLU 37 26.735 18.180 -6.398 273 HB2 GLU 37 HB2 GLU 37 28.167 16.727 -7.841 274 HB3 GLU 37 HB3 GLU 37 29.149 16.362 -6.422 275 HG2 GLU 37 HG2 GLU 37 27.541 14.589 -6.635 276 HG3 GLU 37 HG3 GLU 37 27.046 15.580 -5.269 277 H LEU 38 H LEU 38 29.762 18.555 -4.665 278 HA LEU 38 HA LEU 38 29.317 17.083 -2.367 279 HB2 LEU 38 HB2 LEU 38 31.409 18.330 -2.971 280 HB3 LEU 38 HB3 LEU 38 30.609 19.814 -2.455 281 HG LEU 38 HG LEU 38 30.150 18.529 -0.239 282 HD11 LEU 38 HD11 LEU 38 31.065 16.377 -1.452 283 HD12 LEU 38 HD12 LEU 38 31.448 16.651 0.247 284 HD13 LEU 38 HD13 LEU 38 32.638 17.028 -0.997 285 HD21 LEU 38 HD21 LEU 38 32.794 19.623 -1.187 286 HD22 LEU 38 HD22 LEU 38 32.609 19.037 0.467 287 HD23 LEU 38 HD23 LEU 38 31.610 20.370 -0.114 288 H ASP 39 H ASP 39 27.959 20.219 -3.254 289 HA ASP 39 HA ASP 39 27.023 21.083 -0.777 290 HB2 ASP 39 HB2 ASP 39 25.761 21.373 -3.510 291 HB3 ASP 39 HB3 ASP 39 25.263 22.275 -2.081 292 H THR 40 H THR 40 25.557 18.806 -3.068 293 HA THR 40 HA THR 40 23.143 18.390 -1.650 294 HB THR 40 HB THR 40 24.615 16.417 -3.414 295 HG1 THR 40 HG1 THR 40 24.033 17.676 -4.948 296 HG21 THR 40 HG21 THR 40 21.669 16.730 -2.767 297 HG22 THR 40 HG22 THR 40 22.729 15.506 -2.067 298 HG23 THR 40 HG23 THR 40 22.387 15.490 -3.797 299 H PHE 41 H PHE 41 26.311 16.813 -1.496 300 HA PHE 41 HA PHE 41 25.646 14.702 0.226 301 HB2 PHE 41 HB2 PHE 41 27.758 14.784 -0.966 302 HB3 PHE 41 HB3 PHE 41 28.237 16.220 -0.086 303 HD1 PHE 41 HD1 PHE 41 26.878 12.840 0.838 304 HD2 PHE 41 HD2 PHE 41 29.907 15.821 1.461 305 HE1 PHE 41 HE1 PHE 41 27.915 11.424 2.586 306 HE2 PHE 41 HE2 PHE 41 30.947 14.401 3.207 307 HZ PHE 41 HZ PHE 41 29.948 12.204 3.776 308 H LYS 42 H LYS 42 26.639 18.036 0.937 309 HA LYS 42 HA LYS 42 27.029 17.762 3.694 310 HB2 LYS 42 HB2 LYS 42 26.029 20.146 2.119 311 HB3 LYS 42 HB3 LYS 42 26.575 20.207 3.796 312 HG2 LYS 42 HG2 LYS 42 28.778 19.287 3.074 313 HG3 LYS 42 HG3 LYS 42 28.230 19.364 1.400 314 HD2 LYS 42 HD2 LYS 42 27.842 21.816 1.682 315 HD3 LYS 42 HD3 LYS 42 28.527 21.704 3.303 316 HE2 LYS 42 HE2 LYS 42 30.547 20.562 2.061 317 HE3 LYS 42 HE3 LYS 42 29.895 21.394 0.649 318 HZ1 LYS 42 HZ1 LYS 42 29.830 23.344 2.457 319 HZ2 LYS 42 HZ2 LYS 42 31.149 23.070 1.423 320 HZ3 LYS 42 HZ3 LYS 42 31.177 22.478 3.016 321 H LEU 43 H LEU 43 24.066 18.394 1.852 322 HA LEU 43 HA LEU 43 22.385 18.830 4.097 323 HB2 LEU 43 HB2 LEU 43 21.673 17.787 1.344 324 HB3 LEU 43 HB3 LEU 43 20.540 18.444 2.524 325 HG LEU 43 HG LEU 43 22.877 19.980 1.353 326 HD11 LEU 43 HD11 LEU 43 20.925 19.354 -0.213 327 HD12 LEU 43 HD12 LEU 43 21.333 21.065 -0.086 328 HD13 LEU 43 HD13 LEU 43 19.942 20.421 0.788 329 HD21 LEU 43 HD21 LEU 43 21.512 21.914 2.337 330 HD22 LEU 43 HD22 LEU 43 22.330 20.873 3.502 331 HD23 LEU 43 HD23 LEU 43 20.600 20.687 3.216 332 H ASP 44 H ASP 44 23.263 15.924 2.271 333 HA ASP 44 HA ASP 44 21.418 14.174 3.510 334 HB2 ASP 44 HB2 ASP 44 24.098 13.614 2.225 335 HB3 ASP 44 HB3 ASP 44 22.926 12.379 2.677 336 H VAL 45 H VAL 45 24.792 14.990 4.260 337 HA VAL 45 HA VAL 45 25.030 13.153 6.426 338 HB VAL 45 HB VAL 45 26.610 15.686 5.915 339 HG11 VAL 45 HG11 VAL 45 26.930 13.325 7.746 340 HG12 VAL 45 HG12 VAL 45 27.184 15.036 8.084 341 HG13 VAL 45 HG13 VAL 45 28.365 14.142 7.128 342 HG21 VAL 45 HG21 VAL 45 26.554 13.998 4.016 343 HG22 VAL 45 HG22 VAL 45 27.295 12.843 5.123 344 HG23 VAL 45 HG23 VAL 45 28.154 14.319 4.683 345 H ALA 46 H ALA 46 24.136 16.576 6.198 346 HA ALA 46 HA ALA 46 24.196 17.206 8.926 347 HB1 ALA 46 HB1 ALA 46 22.344 18.891 8.212 348 HB2 ALA 46 HB2 ALA 46 22.651 18.284 6.584 349 HB3 ALA 46 HB3 ALA 46 23.951 19.044 7.502 350 H ASP 47 H ASP 47 21.582 15.853 6.938 351 HA ASP 47 HA ASP 47 19.630 15.735 8.977 352 HB2 ASP 47 HB2 ASP 47 20.028 14.039 6.510 353 HB3 ASP 47 HB3 ASP 47 18.593 13.972 7.531 354 H PHE 48 H PHE 48 22.108 13.408 7.923 355 HA PHE 48 HA PHE 48 21.430 11.297 9.645 356 HB2 PHE 48 HB2 PHE 48 23.091 11.096 7.842 357 HB3 PHE 48 HB3 PHE 48 24.174 12.160 8.718 358 HD1 PHE 48 HD1 PHE 48 25.327 11.390 10.745 359 HD2 PHE 48 HD2 PHE 48 22.752 8.778 8.511 360 HE1 PHE 48 HE1 PHE 48 26.284 9.434 11.928 361 HE2 PHE 48 HE2 PHE 48 23.710 6.822 9.695 362 HZ PHE 48 HZ PHE 48 25.480 7.149 11.403 363 H VAL 49 H VAL 49 23.572 14.082 10.140 364 HA VAL 49 HA VAL 49 24.308 13.485 12.800 365 HB VAL 49 HB VAL 49 24.077 16.180 11.434 366 HG11 VAL 49 HG11 VAL 49 25.986 16.635 13.165 367 HG12 VAL 49 HG12 VAL 49 25.292 15.264 14.031 368 HG13 VAL 49 HG13 VAL 49 24.311 16.694 13.713 369 HG21 VAL 49 HG21 VAL 49 26.555 14.501 11.847 370 HG22 VAL 49 HG22 VAL 49 26.351 15.897 10.789 371 HG23 VAL 49 HG23 VAL 49 25.576 14.367 10.387 372 H THR 50 H THR 50 21.572 15.286 11.432 373 HA THR 50 HA THR 50 20.502 16.204 13.887 374 HB THR 50 HB THR 50 19.010 15.558 11.334 375 HG1 THR 50 HG1 THR 50 19.850 17.322 10.614 376 HG21 THR 50 HG21 THR 50 17.507 17.376 12.169 377 HG22 THR 50 HG22 THR 50 18.432 17.400 13.671 378 HG23 THR 50 HG23 THR 50 17.524 15.957 13.217 379 H THR 51 H THR 51 19.953 13.251 11.993 380 HA THR 51 HA THR 51 17.779 12.280 13.516 381 HB THR 51 HB THR 51 19.801 10.703 11.906 382 HG1 THR 51 HG1 THR 51 18.386 12.474 10.975 383 HG21 THR 51 HG21 THR 51 17.933 9.084 11.687 384 HG22 THR 51 HG22 THR 51 16.970 10.069 12.789 385 HG23 THR 51 HG23 THR 51 18.440 9.282 13.364 386 H VAL 52 H VAL 52 21.289 11.733 13.799 387 HA VAL 52 HA VAL 52 21.052 9.756 15.823 388 HB VAL 52 HB VAL 52 23.473 10.162 16.208 389 HG11 VAL 52 HG11 VAL 52 22.350 9.789 13.439 390 HG12 VAL 52 HG12 VAL 52 23.044 8.584 14.523 391 HG13 VAL 52 HG13 VAL 52 24.092 9.746 13.710 392 HG21 VAL 52 HG21 VAL 52 23.393 12.630 15.757 393 HG22 VAL 52 HG22 VAL 52 23.147 12.263 14.050 394 HG23 VAL 52 HG23 VAL 52 24.649 11.797 14.843 395 H VAL 53 H VAL 53 21.283 13.278 15.936 396 HA VAL 53 HA VAL 53 21.783 13.499 18.720 397 HB VAL 53 HB VAL 53 20.414 15.425 16.823 398 HG11 VAL 53 HG11 VAL 53 21.343 15.680 19.676 399 HG12 VAL 53 HG12 VAL 53 19.839 16.242 18.949 400 HG13 VAL 53 HG13 VAL 53 21.350 17.086 18.612 401 HG21 VAL 53 HG21 VAL 53 22.926 14.582 16.543 402 HG22 VAL 53 HG22 VAL 53 23.221 15.731 17.842 403 HG23 VAL 53 HG23 VAL 53 22.511 16.279 16.324 404 H GLN 54 H GLN 54 18.778 13.395 16.810 405 HA GLN 54 HA GLN 54 16.973 13.824 18.920 406 HB2 GLN 54 HB2 GLN 54 16.644 12.178 16.403 407 HB3 GLN 54 HB3 GLN 54 15.327 12.618 17.487 408 HG2 GLN 54 HG2 GLN 54 17.109 14.556 15.984 409 HG3 GLN 54 HG3 GLN 54 15.438 14.168 15.586 410 HE21 GLN 54 HE21 GLN 54 16.956 16.714 16.711 411 HE22 GLN 54 HE22 GLN 54 15.925 17.221 17.960 412 H LEU 55 H LEU 55 18.502 10.846 17.745 413 HA LEU 55 HA LEU 55 17.108 9.034 19.397 414 HB2 LEU 55 HB2 LEU 55 19.938 8.891 18.327 415 HB3 LEU 55 HB3 LEU 55 19.053 7.539 19.029 416 HG LEU 55 HG LEU 55 18.081 9.119 16.635 417 HD11 LEU 55 HD11 LEU 55 20.228 7.841 16.238 418 HD12 LEU 55 HD12 LEU 55 18.869 7.295 15.256 419 HD13 LEU 55 HD13 LEU 55 19.358 6.370 16.675 420 HD21 LEU 55 HD21 LEU 55 16.672 6.998 16.397 421 HD22 LEU 55 HD22 LEU 55 16.257 8.042 17.755 422 HD23 LEU 55 HD23 LEU 55 17.202 6.578 18.025 423 H ALA 56 H ALA 56 20.083 10.888 19.914 424 HA ALA 56 HA ALA 56 20.736 9.708 22.425 425 HB1 ALA 56 HB1 ALA 56 22.196 11.798 22.614 426 HB2 ALA 56 HB2 ALA 56 21.601 12.219 21.009 427 HB3 ALA 56 HB3 ALA 56 22.509 10.726 21.248 428 H GLU 57 H GLU 57 19.335 12.880 21.583 429 HA GLU 57 HA GLU 57 19.101 13.642 24.335 430 HB2 GLU 57 HB2 GLU 57 18.026 14.915 21.816 431 HB3 GLU 57 HB3 GLU 57 17.980 15.653 23.417 432 HG2 GLU 57 HG2 GLU 57 20.459 15.459 23.544 433 HG3 GLU 57 HG3 GLU 57 20.471 14.817 21.906 434 H GLU 58 H GLU 58 16.776 12.462 21.902 435 HA GLU 58 HA GLU 58 14.608 12.956 23.853 436 HB2 GLU 58 HB2 GLU 58 14.476 12.617 20.855 437 HB3 GLU 58 HB3 GLU 58 13.095 12.901 21.915 438 HG2 GLU 58 HG2 GLU 58 15.477 14.751 21.614 439 HG3 GLU 58 HG3 GLU 58 13.903 15.000 20.872 440 H LEU 59 H LEU 59 14.937 10.604 21.151 441 HA LEU 59 HA LEU 59 12.950 8.958 22.199 442 HB2 LEU 59 HB2 LEU 59 15.196 8.310 20.285 443 HB3 LEU 59 HB3 LEU 59 13.840 7.231 20.615 444 HG LEU 59 HG LEU 59 13.483 10.089 19.682 445 HD11 LEU 59 HD11 LEU 59 12.798 8.752 17.504 446 HD12 LEU 59 HD12 LEU 59 13.903 7.540 18.154 447 HD13 LEU 59 HD13 LEU 59 14.486 9.165 17.798 448 HD21 LEU 59 HD21 LEU 59 11.683 7.687 20.037 449 HD22 LEU 59 HD22 LEU 59 11.229 9.037 18.994 450 HD23 LEU 59 HD23 LEU 59 11.496 9.304 20.717 451 H GLU 60 H GLU 60 16.485 8.350 22.319 452 HA GLU 60 HA GLU 60 16.181 6.024 23.938 453 HB2 GLU 60 HB2 GLU 60 18.614 7.766 23.489 454 HB3 GLU 60 HB3 GLU 60 18.623 6.177 24.249 455 HG2 GLU 60 HG2 GLU 60 17.625 5.205 22.191 456 HG3 GLU 60 HG3 GLU 60 17.712 6.785 21.424 457 H HIS 61 H HIS 61 16.639 9.433 24.674 458 HA HIS 61 HA HIS 61 17.579 9.176 27.309 459 HB2 HIS 61 HB2 HIS 61 17.578 11.248 25.899 460 HB3 HIS 61 HB3 HIS 61 15.861 11.399 26.220 461 HD1 HIS 61 HD1 HIS 61 19.107 11.132 28.211 462 HD2 HIS 61 HD2 HIS 61 15.352 12.925 28.459 463 HE1 HIS 61 HE1 HIS 61 19.135 12.566 30.297 464 H ARG 62 H ARG 62 14.236 9.548 26.092 465 HA ARG 62 HA ARG 62 12.989 9.713 28.614 466 HB2 ARG 62 HB2 ARG 62 11.869 8.548 26.051 467 HB3 ARG 62 HB3 ARG 62 10.929 9.086 27.441 468 HG2 ARG 62 HG2 ARG 62 12.779 10.882 25.851 469 HG3 ARG 62 HG3 ARG 62 11.042 10.774 25.584 470 HD2 ARG 62 HD2 ARG 62 10.693 11.428 27.979 471 HD3 ARG 62 HD3 ARG 62 12.432 11.669 28.124 472 HE ARG 62 HE ARG 62 11.337 13.127 25.918 473 HH11 ARG 62 HH11 ARG 62 11.724 13.245 29.407 474 HH12 ARG 62 HH12 ARG 62 11.641 14.976 29.454 475 HH21 ARG 62 HH21 ARG 62 11.244 15.349 26.043 476 HH22 ARG 62 HH22 ARG 62 11.373 16.149 27.574 477 H PHE 63 H PHE 63 13.597 6.900 26.518 478 HA PHE 63 HA PHE 63 12.570 4.959 28.301 479 HB2 PHE 63 HB2 PHE 63 14.651 4.768 26.129 480 HB3 PHE 63 HB3 PHE 63 14.042 3.380 27.011 481 HD1 PHE 63 HD1 PHE 63 11.164 3.981 27.226 482 HD2 PHE 63 HD2 PHE 63 13.873 4.546 23.941 483 HE1 PHE 63 HE1 PHE 63 9.270 3.812 25.634 484 HE2 PHE 63 HE2 PHE 63 11.979 4.378 22.350 485 HZ PHE 63 HZ PHE 63 9.677 4.010 23.196 486 H GLY 64 H GLY 64 15.637 6.641 28.213 487 HA2 GLY 64 HA2 GLY 64 17.187 6.717 29.998 488 HA3 GLY 64 HA3 GLY 64 16.493 5.232 30.638 489 H ARG 65 H ARG 65 17.407 5.621 27.260 490 HA ARG 65 HA ARG 65 19.533 3.601 27.652 491 HB2 ARG 65 HB2 ARG 65 18.058 4.301 25.104 492 HB3 ARG 65 HB3 ARG 65 19.202 2.980 25.330 493 HG2 ARG 65 HG2 ARG 65 16.588 3.255 26.842 494 HG3 ARG 65 HG3 ARG 65 16.815 2.238 25.420 495 HD2 ARG 65 HD2 ARG 65 18.631 1.023 26.633 496 HD3 ARG 65 HD3 ARG 65 18.268 1.980 28.066 497 HE ARG 65 HE ARG 65 15.915 0.716 27.073 498 HH11 ARG 65 HH11 ARG 65 18.845 0.006 28.870 499 HH12 ARG 65 HH12 ARG 65 18.126 -1.329 29.707 500 HH21 ARG 65 HH21 ARG 65 15.045 -1.013 28.183 501 HH22 ARG 65 HH22 ARG 65 16.003 -1.897 29.323 502 H ASN 66 H ASN 66 19.854 6.566 27.983 503 HA ASN 66 HA ASN 66 21.287 7.443 25.615 504 HB2 ASN 66 HB2 ASN 66 19.903 8.999 26.951 505 HB3 ASN 66 HB3 ASN 66 20.981 8.759 28.324 506 HD21 ASN 66 HD21 ASN 66 21.297 9.589 24.815 507 HD22 ASN 66 HD22 ASN 66 22.473 10.788 25.066 508 H ARG 67 H ARG 67 23.056 6.088 25.421 509 HA ARG 67 HA ARG 67 24.802 5.375 27.531 510 HB2 ARG 67 HB2 ARG 67 25.255 5.468 24.545 511 HB3 ARG 67 HB3 ARG 67 26.356 4.716 25.700 512 HG2 ARG 67 HG2 ARG 67 24.465 3.265 26.474 513 HG3 ARG 67 HG3 ARG 67 23.473 3.936 25.181 514 HD2 ARG 67 HD2 ARG 67 26.061 2.397 24.829 515 HD3 ARG 67 HD3 ARG 67 24.443 1.804 24.474 516 HE ARG 67 HE ARG 67 25.214 4.227 23.060 517 HH11 ARG 67 HH11 ARG 67 25.054 0.723 22.934 518 HH12 ARG 67 HH12 ARG 67 25.154 0.683 21.205 519 HH21 ARG 67 HH21 ARG 67 25.346 4.112 20.839 520 HH22 ARG 67 HH22 ARG 67 25.320 2.578 20.035 521 H ARG 68 H ARG 68 24.754 8.114 25.309 522 HA ARG 68 HA ARG 68 27.279 9.105 26.518 523 HB2 ARG 68 HB2 ARG 68 26.185 9.799 23.783 524 HB3 ARG 68 HB3 ARG 68 27.759 10.232 24.442 525 HG2 ARG 68 HG2 ARG 68 26.870 7.367 23.998 526 HG3 ARG 68 HG3 ARG 68 27.785 8.295 22.813 527 HD2 ARG 68 HD2 ARG 68 28.723 7.854 25.658 528 HD3 ARG 68 HD3 ARG 68 29.184 6.817 24.313 529 HE ARG 68 HE ARG 68 30.120 9.512 24.834 530 HH11 ARG 68 HH11 ARG 68 29.806 6.989 22.413 531 HH12 ARG 68 HH12 ARG 68 31.070 7.642 21.424 532 HH21 ARG 68 HH21 ARG 68 31.747 10.299 23.525 533 HH22 ARG 68 HH22 ARG 68 32.155 9.491 22.048 534 H GLY 69 H GLY 69 27.357 11.220 27.217 535 HA2 GLY 69 HA2 GLY 69 24.858 12.392 27.980 536 HA3 GLY 69 HA3 GLY 69 26.457 13.072 28.263 537 H ARG 70 H ARG 70 24.215 14.611 27.506 538 HA ARG 70 HA ARG 70 23.819 15.069 24.793 539 HB2 ARG 70 HB2 ARG 70 22.483 16.080 26.641 540 HB3 ARG 70 HB3 ARG 70 23.830 17.168 26.977 541 HG2 ARG 70 HG2 ARG 70 23.688 17.983 24.609 542 HG3 ARG 70 HG3 ARG 70 22.242 16.995 24.400 543 HD2 ARG 70 HD2 ARG 70 22.578 19.201 26.451 544 HD3 ARG 70 HD3 ARG 70 21.660 19.331 24.956 545 HE ARG 70 HE ARG 70 20.795 17.119 26.564 546 HH11 ARG 70 HH11 ARG 70 20.468 20.597 26.192 547 HH12 ARG 70 HH12 ARG 70 18.930 20.637 26.986 548 HH21 ARG 70 HH21 ARG 70 18.809 17.237 27.578 549 HH22 ARG 70 HH22 ARG 70 18.004 18.760 27.759 550 H THR 71 H THR 71 26.287 16.436 26.951 551 HA THR 71 HA THR 71 27.344 18.347 25.197 552 HB THR 71 HB THR 71 28.866 16.737 27.259 553 HG1 THR 71 HG1 THR 71 27.599 17.747 28.548 554 HG21 THR 71 HG21 THR 71 30.285 18.075 25.761 555 HG22 THR 71 HG22 THR 71 30.259 18.779 27.378 556 HG23 THR 71 HG23 THR 71 29.299 19.501 26.086 557 H GLU 72 H GLU 72 28.028 14.894 25.526 558 HA GLU 72 HA GLU 72 30.336 14.848 23.896 559 HB2 GLU 72 HB2 GLU 72 28.350 12.673 24.580 560 HB3 GLU 72 HB3 GLU 72 29.903 12.399 23.784 561 HG2 GLU 72 HG2 GLU 72 31.058 13.466 25.700 562 HG3 GLU 72 HG3 GLU 72 29.508 13.678 26.503 563 H ILE 73 H ILE 73 26.885 14.363 23.113 564 HA ILE 73 HA ILE 73 27.278 13.684 20.407 565 HB ILE 73 HB ILE 73 24.939 14.990 21.817 566 HG12 ILE 73 HG12 ILE 73 24.070 12.551 21.067 567 HG13 ILE 73 HG13 ILE 73 25.793 12.201 21.135 568 HG21 ILE 73 HG21 ILE 73 25.026 13.907 18.979 569 HG22 ILE 73 HG22 ILE 73 24.889 15.611 19.412 570 HG23 ILE 73 HG23 ILE 73 23.591 14.491 19.821 571 HD11 ILE 73 HD11 ILE 73 25.881 12.437 23.411 572 HD12 ILE 73 HD12 ILE 73 24.178 11.999 23.269 573 HD13 ILE 73 HD13 ILE 73 24.642 13.693 23.442 574 H TYR 74 H TYR 74 27.026 16.841 22.018 575 HA TYR 74 HA TYR 74 26.878 18.422 19.703 576 HB2 TYR 74 HB2 TYR 74 28.007 18.996 22.432 577 HB3 TYR 74 HB3 TYR 74 27.943 20.200 21.170 578 HD1 TYR 74 HD1 TYR 74 25.035 18.177 20.820 579 HD2 TYR 74 HD2 TYR 74 26.745 21.261 23.277 580 HE1 TYR 74 HE1 TYR 74 22.769 18.835 21.574 581 HE2 TYR 74 HE2 TYR 74 24.478 21.914 24.029 582 HH TYR 74 HH TYR 74 21.648 20.115 23.059 583 H LYS 75 H LYS 75 29.688 17.100 21.418 584 HA LYS 75 HA LYS 75 31.688 18.406 19.924 585 HB2 LYS 75 HB2 LYS 75 31.766 15.627 21.122 586 HB3 LYS 75 HB3 LYS 75 33.163 16.589 20.643 587 HG2 LYS 75 HG2 LYS 75 31.143 17.409 22.752 588 HG3 LYS 75 HG3 LYS 75 32.724 16.709 23.093 589 HD2 LYS 75 HD2 LYS 75 33.752 18.615 21.787 590 HD3 LYS 75 HD3 LYS 75 32.151 19.354 21.733 591 HE2 LYS 75 HE2 LYS 75 32.094 19.729 24.037 592 HE3 LYS 75 HE3 LYS 75 33.294 18.480 24.369 593 HZ1 LYS 75 HZ1 LYS 75 33.987 20.876 22.792 594 HZ2 LYS 75 HZ2 LYS 75 35.018 19.826 23.641 595 HZ3 LYS 75 HZ3 LYS 75 34.022 20.911 24.487 596 H ILE 76 H ILE 76 29.942 15.364 19.356 597 HA ILE 76 HA ILE 76 31.366 14.609 17.028 598 HB ILE 76 HB ILE 76 28.504 13.961 17.769 599 HG12 ILE 76 HG12 ILE 76 30.018 13.352 19.587 600 HG13 ILE 76 HG13 ILE 76 29.463 11.904 18.761 601 HG21 ILE 76 HG21 ILE 76 29.077 13.431 15.432 602 HG22 ILE 76 HG22 ILE 76 28.863 11.959 16.380 603 HG23 ILE 76 HG23 ILE 76 30.486 12.522 15.981 604 HD11 ILE 76 HD11 ILE 76 31.812 12.590 17.394 605 HD12 ILE 76 HD12 ILE 76 31.638 11.323 18.605 606 HD13 ILE 76 HD13 ILE 76 32.174 12.929 19.086 607 H VAL 77 H VAL 77 28.395 16.504 17.497 608 HA VAL 77 HA VAL 77 27.657 16.695 14.795 609 HB VAL 77 HB VAL 77 27.179 18.657 17.056 610 HG11 VAL 77 HG11 VAL 77 26.609 19.863 15.119 611 HG12 VAL 77 HG12 VAL 77 25.082 19.104 15.569 612 HG13 VAL 77 HG13 VAL 77 26.058 18.419 14.269 613 HG21 VAL 77 HG21 VAL 77 26.391 16.164 17.200 614 HG22 VAL 77 HG22 VAL 77 25.217 16.646 15.978 615 HG23 VAL 77 HG23 VAL 77 25.232 17.446 17.549 616 H LYS 78 H LYS 78 29.678 18.842 16.793 617 HA LYS 78 HA LYS 78 30.121 20.757 14.741 618 HB2 LYS 78 HB2 LYS 78 30.406 21.197 17.178 619 HB3 LYS 78 HB3 LYS 78 31.856 20.193 17.153 620 HG2 LYS 78 HG2 LYS 78 32.827 21.683 15.415 621 HG3 LYS 78 HG3 LYS 78 31.402 22.714 15.531 622 HD2 LYS 78 HD2 LYS 78 31.888 22.999 17.980 623 HD3 LYS 78 HD3 LYS 78 33.401 22.126 17.731 624 HE2 LYS 78 HE2 LYS 78 33.881 23.858 15.879 625 HE3 LYS 78 HE3 LYS 78 32.580 24.803 16.604 626 HZ1 LYS 78 HZ1 LYS 78 34.672 25.454 17.550 627 HZ2 LYS 78 HZ2 LYS 78 35.040 23.847 17.963 628 HZ3 LYS 78 HZ3 LYS 78 33.761 24.654 18.737 629 H GLU 79 H GLU 79 32.074 18.009 15.908 630 HA GLU 79 HA GLU 79 34.313 18.582 14.269 631 HB2 GLU 79 HB2 GLU 79 33.441 16.023 15.613 632 HB3 GLU 79 HB3 GLU 79 34.988 16.227 14.790 633 HG2 GLU 79 HG2 GLU 79 34.003 17.935 17.093 634 HG3 GLU 79 HG3 GLU 79 35.177 16.631 17.232 635 H VAL 80 H VAL 80 31.493 16.471 13.774 636 HA VAL 80 HA VAL 80 32.394 15.243 11.403 637 HB VAL 80 HB VAL 80 29.576 15.887 12.315 638 HG11 VAL 80 HG11 VAL 80 29.623 15.430 9.897 639 HG12 VAL 80 HG12 VAL 80 28.888 14.079 10.762 640 HG13 VAL 80 HG13 VAL 80 30.551 13.958 10.183 641 HG21 VAL 80 HG21 VAL 80 31.255 14.336 13.653 642 HG22 VAL 80 HG22 VAL 80 30.859 13.172 12.393 643 HG23 VAL 80 HG23 VAL 80 29.583 13.837 13.412 644 H ASP 81 H ASP 81 30.509 18.223 11.926 645 HA ASP 81 HA ASP 81 30.330 19.021 9.234 646 HB2 ASP 81 HB2 ASP 81 30.528 20.692 11.750 647 HB3 ASP 81 HB3 ASP 81 30.100 21.324 10.163 648 H ARG 82 H ARG 82 32.883 19.455 11.640 649 HA ARG 82 HA ARG 82 34.566 21.220 10.278 650 HB2 ARG 82 HB2 ARG 82 34.654 20.046 12.670 651 HB3 ARG 82 HB3 ARG 82 35.739 18.947 11.826 652 HG2 ARG 82 HG2 ARG 82 36.064 21.962 11.861 653 HG3 ARG 82 HG3 ARG 82 36.909 20.864 12.950 654 HD2 ARG 82 HD2 ARG 82 37.839 19.690 10.926 655 HD3 ARG 82 HD3 ARG 82 37.120 20.954 9.933 656 HE ARG 82 HE ARG 82 38.878 22.311 10.525 657 HH11 ARG 82 HH11 ARG 82 38.580 19.838 12.998 658 HH12 ARG 82 HH12 ARG 82 39.983 20.383 13.855 659 HH21 ARG 82 HH21 ARG 82 40.677 22.971 11.678 660 HH22 ARG 82 HH22 ARG 82 41.150 22.135 13.118 661 H LYS 83 H LYS 83 34.555 17.644 10.248 662 HA LYS 83 HA LYS 83 36.641 17.328 8.384 663 HB2 LYS 83 HB2 LYS 83 34.275 15.497 8.845 664 HB3 LYS 83 HB3 LYS 83 35.805 15.054 8.089 665 HG2 LYS 83 HG2 LYS 83 35.509 16.062 10.934 666 HG3 LYS 83 HG3 LYS 83 35.701 14.369 10.480 667 HD2 LYS 83 HD2 LYS 83 37.864 15.001 9.346 668 HD3 LYS 83 HD3 LYS 83 37.692 16.611 10.048 669 HE2 LYS 83 HE2 LYS 83 37.442 15.395 12.311 670 HE3 LYS 83 HE3 LYS 83 38.092 13.985 11.474 671 HZ1 LYS 83 HZ1 LYS 83 39.732 16.055 10.749 672 HZ2 LYS 83 HZ2 LYS 83 40.087 14.835 11.875 673 HZ3 LYS 83 HZ3 LYS 83 39.445 16.317 12.400 674 H LEU 84 H LEU 84 33.121 17.549 7.930 675 HA LEU 84 HA LEU 84 33.126 17.124 5.136 676 HB2 LEU 84 HB2 LEU 84 31.186 18.676 6.865 677 HB3 LEU 84 HB3 LEU 84 30.892 18.208 5.190 678 HG LEU 84 HG LEU 84 31.572 16.205 7.354 679 HD11 LEU 84 HD11 LEU 84 29.355 17.627 7.584 680 HD12 LEU 84 HD12 LEU 84 29.316 15.881 7.817 681 HD13 LEU 84 HD13 LEU 84 28.790 16.576 6.285 682 HD21 LEU 84 HD21 LEU 84 30.650 16.096 4.489 683 HD22 LEU 84 HD22 LEU 84 30.286 14.761 5.583 684 HD23 LEU 84 HD23 LEU 84 31.961 15.211 5.267 685 H LEU 85 H LEU 85 33.381 20.069 7.091 686 HA LEU 85 HA LEU 85 33.317 21.912 4.942 687 HB2 LEU 85 HB2 LEU 85 33.008 22.506 7.349 688 HB3 LEU 85 HB3 LEU 85 34.731 22.225 7.599 689 HG LEU 85 HG LEU 85 35.152 23.912 5.739 690 HD11 LEU 85 HD11 LEU 85 33.117 24.114 4.595 691 HD12 LEU 85 HD12 LEU 85 33.116 25.558 5.609 692 HD13 LEU 85 HD13 LEU 85 32.173 24.145 6.084 693 HD21 LEU 85 HD21 LEU 85 33.798 24.710 8.328 694 HD22 LEU 85 HD22 LEU 85 34.585 25.874 7.261 695 HD23 LEU 85 HD23 LEU 85 35.528 24.587 8.013 696 H ASP 86 H ASP 86 35.977 20.220 6.562 697 HA ASP 86 HA ASP 86 38.111 21.483 5.231 698 HB2 ASP 86 HB2 ASP 86 37.884 18.683 6.351 699 HB3 ASP 86 HB3 ASP 86 39.391 19.420 5.812 700 H LEU 87 H LEU 87 36.110 18.701 4.341 701 HA LEU 87 HA LEU 87 37.576 17.769 2.151 702 HB2 LEU 87 HB2 LEU 87 35.610 16.622 3.165 703 HB3 LEU 87 HB3 LEU 87 34.562 17.833 2.426 704 HG LEU 87 HG LEU 87 35.603 17.181 0.188 705 HD11 LEU 87 HD11 LEU 87 36.675 14.984 1.972 706 HD12 LEU 87 HD12 LEU 87 37.586 16.044 0.898 707 HD13 LEU 87 HD13 LEU 87 36.531 14.803 0.224 708 HD21 LEU 87 HD21 LEU 87 34.074 15.362 -0.111 709 HD22 LEU 87 HD22 LEU 87 33.351 16.404 1.115 710 HD23 LEU 87 HD23 LEU 87 34.168 14.915 1.592 711 H THR 88 H THR 88 35.113 20.323 2.337 712 HA THR 88 HA THR 88 35.048 20.951 -0.419 713 HB THR 88 HB THR 88 34.626 22.853 1.899 714 HG1 THR 88 HG1 THR 88 33.029 21.590 2.275 715 HG21 THR 88 HG21 THR 88 33.164 22.880 -0.723 716 HG22 THR 88 HG22 THR 88 34.772 23.597 -0.622 717 HG23 THR 88 HG23 THR 88 33.469 24.208 0.396 718 H ASP 89 H ASP 89 37.024 22.172 2.258 719 HA ASP 89 HA ASP 89 38.405 24.170 0.832 720 HB2 ASP 89 HB2 ASP 89 39.251 22.537 3.232 721 HB3 ASP 89 HB3 ASP 89 40.091 23.973 2.653 722 H ALA 90 H ALA 90 39.023 20.710 1.222 723 HA ALA 90 HA ALA 90 41.676 20.694 0.265 724 HB1 ALA 90 HB1 ALA 90 40.968 18.751 1.393 725 HB2 ALA 90 HB2 ALA 90 41.098 18.249 -0.292 726 HB3 ALA 90 HB3 ALA 90 39.516 18.600 0.402 727 H VAL 91 H VAL 91 38.580 20.184 -1.427 728 HA VAL 91 HA VAL 91 39.731 19.714 -3.978 729 HB VAL 91 HB VAL 91 36.985 20.803 -3.294 730 HG11 VAL 91 HG11 VAL 91 36.515 19.526 -5.532 731 HG12 VAL 91 HG12 VAL 91 38.245 19.732 -5.808 732 HG13 VAL 91 HG13 VAL 91 37.212 21.146 -5.601 733 HG21 VAL 91 HG21 VAL 91 37.291 18.692 -2.180 734 HG22 VAL 91 HG22 VAL 91 38.059 17.987 -3.601 735 HG23 VAL 91 HG23 VAL 91 36.338 18.372 -3.629 736 H LEU 92 H LEU 92 38.428 22.630 -2.430 737 HA LEU 92 HA LEU 92 38.911 24.377 -4.614 738 HB2 LEU 92 HB2 LEU 92 38.642 24.991 -1.664 739 HB3 LEU 92 HB3 LEU 92 38.555 26.175 -2.967 740 HG LEU 92 HG LEU 92 36.712 23.780 -2.735 741 HD11 LEU 92 HD11 LEU 92 36.078 26.683 -2.145 742 HD12 LEU 92 HD12 LEU 92 36.471 25.509 -0.890 743 HD13 LEU 92 HD13 LEU 92 35.036 25.284 -1.889 744 HD21 LEU 92 HD21 LEU 92 36.891 26.173 -4.567 745 HD22 LEU 92 HD22 LEU 92 35.376 25.297 -4.347 746 HD23 LEU 92 HD23 LEU 92 36.789 24.468 -5.001 747 H ALA 93 H ALA 93 40.986 23.185 -2.065 748 HA ALA 93 HA ALA 93 42.835 25.218 -1.779 749 HB1 ALA 93 HB1 ALA 93 44.322 23.596 -0.915 750 HB2 ALA 93 HB2 ALA 93 43.630 22.315 -1.910 751 HB3 ALA 93 HB3 ALA 93 42.710 22.975 -0.558 752 H LYS 94 H LYS 94 44.688 25.854 -2.795 753 HA LYS 94 HA LYS 94 44.790 25.719 -5.603 754 HB2 LYS 94 HB2 LYS 94 47.048 26.399 -3.703 755 HB3 LYS 94 HB3 LYS 94 46.945 26.839 -5.406 756 HG2 LYS 94 HG2 LYS 94 44.984 27.721 -3.267 757 HG3 LYS 94 HG3 LYS 94 46.290 28.715 -3.911 758 HD2 LYS 94 HD2 LYS 94 45.292 28.406 -6.205 759 HD3 LYS 94 HD3 LYS 94 43.913 27.619 -5.436 760 HE2 LYS 94 HE2 LYS 94 43.471 29.644 -4.114 761 HE3 LYS 94 HE3 LYS 94 44.867 30.436 -4.845 762 HZ1 LYS 94 HZ1 LYS 94 43.845 30.411 -6.950 763 HZ2 LYS 94 HZ2 LYS 94 42.653 30.955 -5.869 764 HZ3 LYS 94 HZ3 LYS 94 42.618 29.356 -6.442 765 H GLU 95 H GLU 95 46.473 23.862 -3.112 766 HA GLU 95 HA GLU 95 47.942 22.377 -5.185 767 HB2 GLU 95 HB2 GLU 95 48.292 22.480 -2.178 768 HB3 GLU 95 HB3 GLU 95 49.287 21.528 -3.281 769 HG2 GLU 95 HG2 GLU 95 49.902 23.613 -4.486 770 HG3 GLU 95 HG3 GLU 95 48.970 24.542 -3.320 771 H LYS 96 H LYS 96 45.263 21.811 -5.179 772 HA LYS 96 HA LYS 96 44.353 19.808 -3.480 773 HB2 LYS 96 HB2 LYS 96 42.706 19.306 -5.165 774 HB3 LYS 96 HB3 LYS 96 42.967 21.046 -5.132 775 HG2 LYS 96 HG2 LYS 96 44.529 20.805 -7.071 776 HG3 LYS 96 HG3 LYS 96 44.128 19.088 -7.138 777 HD2 LYS 96 HD2 LYS 96 41.683 19.810 -7.325 778 HD3 LYS 96 HD3 LYS 96 42.290 21.442 -7.610 779 HE2 LYS 96 HE2 LYS 96 43.394 19.163 -9.224 780 HE3 LYS 96 HE3 LYS 96 41.829 19.850 -9.654 781 HZ1 LYS 96 HZ1 LYS 96 42.937 21.437 -10.701 782 HZ2 LYS 96 HZ2 LYS 96 44.428 20.905 -10.085 783 HZ3 LYS 96 HZ3 LYS 96 43.480 22.001 -9.197 784 H LYS 97 H LYS 97 44.722 17.701 -3.233 785 HA LYS 97 HA LYS 97 46.183 16.241 -5.340 786 HB2 LYS 97 HB2 LYS 97 47.781 16.959 -3.586 787 HB3 LYS 97 HB3 LYS 97 46.815 16.105 -2.383 788 HG2 LYS 97 HG2 LYS 97 47.203 13.983 -3.498 789 HG3 LYS 97 HG3 LYS 97 48.042 14.792 -4.822 790 HD2 LYS 97 HD2 LYS 97 49.700 13.865 -3.308 791 HD3 LYS 97 HD3 LYS 97 49.736 15.622 -3.185 792 HE2 LYS 97 HE2 LYS 97 48.943 15.621 -1.038 793 HE3 LYS 97 HE3 LYS 97 47.897 14.228 -1.301 794 HZ1 LYS 97 HZ1 LYS 97 49.900 12.827 -1.329 795 HZ2 LYS 97 HZ2 LYS 97 49.680 13.622 0.155 796 HZ3 LYS 97 HZ3 LYS 97 50.844 14.184 -0.949 797 H GLY 98 H GLY 98 45.398 14.249 -5.748 798 HA2 GLY 98 HA2 GLY 98 42.812 13.578 -5.002 799 HA3 GLY 98 HA3 GLY 98 43.969 12.449 -5.696 800 H GLU 99 H GLU 99 45.880 12.499 -3.577 801 HA GLU 99 HA GLU 99 44.841 10.482 -1.921 802 HB2 GLU 99 HB2 GLU 99 47.263 10.850 -2.398 803 HB3 GLU 99 HB3 GLU 99 47.219 12.249 -1.326 804 HG2 GLU 99 HG2 GLU 99 46.415 10.778 0.514 805 HG3 GLU 99 HG3 GLU 99 46.565 9.392 -0.558 806 H ASP 100 H ASP 100 44.978 13.978 -1.479 807 HA ASP 100 HA ASP 100 44.619 14.120 1.286 808 HB2 ASP 100 HB2 ASP 100 43.634 15.964 -0.898 809 HB3 ASP 100 HB3 ASP 100 43.578 16.348 0.819 810 H ILE 101 H ILE 101 42.201 13.754 -1.294 811 HA ILE 101 HA ILE 101 39.928 14.054 0.368 812 HB ILE 101 HB ILE 101 40.159 12.452 -2.190 813 HG12 ILE 101 HG12 ILE 101 38.963 14.811 -2.903 814 HG13 ILE 101 HG13 ILE 101 40.028 15.386 -1.627 815 HG21 ILE 101 HG21 ILE 101 38.088 11.848 -1.389 816 HG22 ILE 101 HG22 ILE 101 37.648 13.340 -2.215 817 HG23 ILE 101 HG23 ILE 101 37.881 13.337 -0.468 818 HD11 ILE 101 HD11 ILE 101 41.930 14.923 -2.828 819 HD12 ILE 101 HD12 ILE 101 40.819 15.165 -4.177 820 HD13 ILE 101 HD13 ILE 101 41.212 13.533 -3.643 821 H LEU 102 H LEU 102 41.779 11.189 -0.645 822 HA LEU 102 HA LEU 102 40.091 9.239 0.453 823 HB2 LEU 102 HB2 LEU 102 43.107 9.166 0.195 824 HB3 LEU 102 HB3 LEU 102 42.054 7.768 0.405 825 HG LEU 102 HG LEU 102 41.895 9.704 -1.924 826 HD11 LEU 102 HD11 LEU 102 43.072 6.913 -1.726 827 HD12 LEU 102 HD12 LEU 102 43.970 8.403 -2.010 828 HD13 LEU 102 HD13 LEU 102 42.844 7.807 -3.229 829 HD21 LEU 102 HD21 LEU 102 40.502 7.789 -2.871 830 HD22 LEU 102 HD22 LEU 102 39.754 8.679 -1.544 831 HD23 LEU 102 HD23 LEU 102 40.491 7.106 -1.244 832 H ASN 103 H ASN 103 42.749 11.072 1.926 833 HA ASN 103 HA ASN 103 42.805 9.635 4.368 834 HB2 ASN 103 HB2 ASN 103 43.638 12.475 3.739 835 HB3 ASN 103 HB3 ASN 103 44.010 11.630 5.240 836 HD21 ASN 103 HD21 ASN 103 46.017 12.587 3.348 837 HD22 ASN 103 HD22 ASN 103 46.835 11.223 2.757 838 H MET 104 H MET 104 41.101 12.594 3.379 839 HA MET 104 HA MET 104 40.025 13.097 5.984 840 HB2 MET 104 HB2 MET 104 39.212 14.139 3.259 841 HB3 MET 104 HB3 MET 104 38.596 14.751 4.790 842 HG2 MET 104 HG2 MET 104 41.507 14.760 3.937 843 HG3 MET 104 HG3 MET 104 40.437 16.159 3.931 844 HE1 MET 104 HE1 MET 104 39.197 16.991 5.798 845 HE2 MET 104 HE2 MET 104 39.701 16.993 7.487 846 HE3 MET 104 HE3 MET 104 38.774 15.636 6.852 847 H VAL 105 H VAL 105 38.713 11.629 3.018 848 HA VAL 105 HA VAL 105 36.042 11.481 3.871 849 HB VAL 105 HB VAL 105 37.559 9.706 1.942 850 HG11 VAL 105 HG11 VAL 105 34.563 10.130 2.167 851 HG12 VAL 105 HG12 VAL 105 35.401 8.702 2.774 852 HG13 VAL 105 HG13 VAL 105 35.399 9.056 1.048 853 HG21 VAL 105 HG21 VAL 105 36.967 11.224 0.272 854 HG22 VAL 105 HG22 VAL 105 37.278 12.308 1.627 855 HG23 VAL 105 HG23 VAL 105 35.624 11.884 1.203 856 H ALA 106 H ALA 106 38.755 9.237 4.337 857 HA ALA 106 HA ALA 106 37.305 7.107 5.466 858 HB1 ALA 106 HB1 ALA 106 39.488 6.511 6.553 859 HB2 ALA 106 HB2 ALA 106 40.147 8.031 5.949 860 HB3 ALA 106 HB3 ALA 106 39.607 6.791 4.816 861 H GLU 107 H GLU 107 38.680 10.029 6.926 862 HA GLU 107 HA GLU 107 38.147 9.313 9.620 863 HB2 GLU 107 HB2 GLU 107 38.497 12.032 8.340 864 HB3 GLU 107 HB3 GLU 107 38.464 11.732 10.079 865 HG2 GLU 107 HG2 GLU 107 40.380 10.169 9.820 866 HG3 GLU 107 HG3 GLU 107 40.443 10.561 8.107 867 H ILE 108 H ILE 108 36.242 11.007 7.162 868 HA ILE 108 HA ILE 108 34.239 12.037 8.839 869 HB ILE 108 HB ILE 108 33.987 11.072 5.975 870 HG12 ILE 108 HG12 ILE 108 34.448 13.884 6.994 871 HG13 ILE 108 HG13 ILE 108 35.772 12.826 6.524 872 HG21 ILE 108 HG21 ILE 108 32.187 12.949 6.024 873 HG22 ILE 108 HG22 ILE 108 32.230 12.741 7.774 874 HG23 ILE 108 HG23 ILE 108 31.775 11.390 6.737 875 HD11 ILE 108 HD11 ILE 108 33.686 14.115 4.824 876 HD12 ILE 108 HD12 ILE 108 34.282 12.534 4.327 877 HD13 ILE 108 HD13 ILE 108 35.403 13.883 4.506 878 H LYS 109 H LYS 109 34.287 8.959 7.012 879 HA LYS 109 HA LYS 109 31.835 7.987 7.982 880 HB2 LYS 109 HB2 LYS 109 34.275 6.451 7.074 881 HB3 LYS 109 HB3 LYS 109 32.669 5.756 7.301 882 HG2 LYS 109 HG2 LYS 109 31.814 7.517 5.668 883 HG3 LYS 109 HG3 LYS 109 33.502 7.866 5.299 884 HD2 LYS 109 HD2 LYS 109 32.237 5.121 5.065 885 HD3 LYS 109 HD3 LYS 109 32.471 6.228 3.713 886 HE2 LYS 109 HE2 LYS 109 34.695 5.164 5.478 887 HE3 LYS 109 HE3 LYS 109 34.299 4.552 3.876 888 HZ1 LYS 109 HZ1 LYS 109 35.402 7.180 4.626 889 HZ2 LYS 109 HZ2 LYS 109 34.555 6.987 3.166 890 HZ3 LYS 109 HZ3 LYS 109 35.962 6.081 3.461 891 H ALA 110 H ALA 110 35.098 7.791 9.317 892 HA ALA 110 HA ALA 110 34.664 5.776 11.217 893 HB1 ALA 110 HB1 ALA 110 36.458 8.084 11.852 894 HB2 ALA 110 HB2 ALA 110 36.844 7.060 10.469 895 HB3 ALA 110 HB3 ALA 110 36.727 6.355 12.082 896 H LEU 111 H LEU 111 34.104 9.272 11.395 897 HA LEU 111 HA LEU 111 33.398 9.288 14.162 898 HB2 LEU 111 HB2 LEU 111 32.670 11.242 11.965 899 HB3 LEU 111 HB3 LEU 111 32.524 11.537 13.697 900 HG LEU 111 HG LEU 111 35.126 10.879 12.287 901 HD11 LEU 111 HD11 LEU 111 34.155 13.536 13.380 902 HD12 LEU 111 HD12 LEU 111 34.141 13.108 11.669 903 HD13 LEU 111 HD13 LEU 111 35.673 13.233 12.536 904 HD21 LEU 111 HD21 LEU 111 34.358 11.585 15.122 905 HD22 LEU 111 HD22 LEU 111 35.995 11.853 14.522 906 HD23 LEU 111 HD23 LEU 111 35.324 10.223 14.557 907 H LEU 112 H LEU 112 31.562 8.991 11.152 908 HA LEU 112 HA LEU 112 28.994 9.208 12.385 909 HB2 LEU 112 HB2 LEU 112 29.732 7.973 9.721 910 HB3 LEU 112 HB3 LEU 112 28.120 8.473 10.228 911 HG LEU 112 HG LEU 112 30.505 10.327 9.971 912 HD11 LEU 112 HD11 LEU 112 29.554 11.104 7.935 913 HD12 LEU 112 HD12 LEU 112 28.042 10.243 8.223 914 HD13 LEU 112 HD13 LEU 112 29.505 9.345 7.820 915 HD21 LEU 112 HD21 LEU 112 27.579 10.792 10.599 916 HD22 LEU 112 HD22 LEU 112 28.691 12.080 10.147 917 HD23 LEU 112 HD23 LEU 112 28.961 11.164 11.629 918 H ILE 113 H ILE 113 31.040 6.471 11.426 919 HA ILE 113 HA ILE 113 29.083 4.492 12.025 920 HB ILE 113 HB ILE 113 30.977 4.106 10.485 921 HG12 ILE 113 HG12 ILE 113 31.112 2.196 12.824 922 HG13 ILE 113 HG13 ILE 113 29.718 2.273 11.747 923 HG21 ILE 113 HG21 ILE 113 33.209 3.711 11.324 924 HG22 ILE 113 HG22 ILE 113 32.671 3.928 12.990 925 HG23 ILE 113 HG23 ILE 113 32.691 5.301 11.884 926 HD11 ILE 113 HD11 ILE 113 31.357 0.527 11.055 927 HD12 ILE 113 HD12 ILE 113 32.569 1.788 10.839 928 HD13 ILE 113 HD13 ILE 113 31.130 1.766 9.821 929 H ASN 114 H ASN 114 31.547 6.095 13.955 930 HA ASN 114 HA ASN 114 31.707 4.297 16.096 931 HB2 ASN 114 HB2 ASN 114 33.173 6.295 15.762 932 HB3 ASN 114 HB3 ASN 114 31.827 7.315 16.267 933 HD21 ASN 114 HD21 ASN 114 33.849 4.576 17.432 934 HD22 ASN 114 HD22 ASN 114 33.712 4.984 19.074 935 H ILE 115 H ILE 115 29.533 7.086 15.636 936 HA ILE 115 HA ILE 115 28.003 6.527 17.986 937 HB ILE 115 HB ILE 115 28.165 8.778 16.995 938 HG12 ILE 115 HG12 ILE 115 25.680 9.271 17.103 939 HG13 ILE 115 HG13 ILE 115 25.417 7.533 17.229 940 HG21 ILE 115 HG21 ILE 115 26.688 9.256 15.006 941 HG22 ILE 115 HG22 ILE 115 26.556 7.514 14.763 942 HG23 ILE 115 HG23 ILE 115 28.127 8.307 14.643 943 HD11 ILE 115 HD11 ILE 115 27.345 8.906 19.085 944 HD12 ILE 115 HD12 ILE 115 26.472 7.393 19.319 945 HD13 ILE 115 HD13 ILE 115 25.615 8.930 19.424 946 H TYR 116 H TYR 116 27.802 5.471 14.651 947 HA TYR 116 HA TYR 116 25.142 4.652 14.513 948 HB2 TYR 116 HB2 TYR 116 26.645 4.666 12.591 949 HB3 TYR 116 HB3 TYR 116 27.593 3.375 13.299 950 HD1 TYR 116 HD1 TYR 116 24.346 4.243 11.747 951 HD2 TYR 116 HD2 TYR 116 26.886 1.083 13.166 952 HE1 TYR 116 HE1 TYR 116 22.898 2.572 10.622 953 HE2 TYR 116 HE2 TYR 116 25.439 -0.587 12.043 954 HH TYR 116 HH TYR 116 23.370 0.055 9.744 955 H LYS 117 H LYS 117 27.958 2.976 15.870 956 HA LYS 117 HA LYS 117 26.329 0.651 16.544 957 HB2 LYS 117 HB2 LYS 117 28.674 0.398 15.721 958 HB3 LYS 117 HB3 LYS 117 29.236 1.207 17.183 959 HG2 LYS 117 HG2 LYS 117 29.410 -1.114 17.661 960 HG3 LYS 117 HG3 LYS 117 27.942 -0.591 18.484 961 HD2 LYS 117 HD2 LYS 117 26.568 -1.426 16.639 962 HD3 LYS 117 HD3 LYS 117 28.017 -1.873 15.737 963 HE2 LYS 117 HE2 LYS 117 28.548 -3.622 17.208 964 HE3 LYS 117 HE3 LYS 117 27.553 -2.959 18.505 965 HZ1 LYS 117 HZ1 LYS 117 25.583 -3.517 17.307 966 HZ2 LYS 117 HZ2 LYS 117 26.561 -4.904 17.380 967 HZ3 LYS 117 HZ3 LYS 117 26.473 -3.999 15.945 Start of MODEL 9 1 H GLU 1 H GLU 1 5.879 12.574 20.951 2 HA GLU 1 HA GLU 1 4.130 11.299 20.114 3 HB2 GLU 1 HB2 GLU 1 6.306 9.964 18.484 4 HB3 GLU 1 HB3 GLU 1 4.575 9.688 18.290 5 HG2 GLU 1 HG2 GLU 1 4.271 12.115 17.827 6 HG3 GLU 1 HG3 GLU 1 6.013 12.331 17.932 7 H ALA 2 H ALA 2 3.338 9.000 20.219 8 HA ALA 2 HA ALA 2 4.024 7.810 22.671 9 HB1 ALA 2 HB1 ALA 2 2.584 6.652 20.274 10 HB2 ALA 2 HB2 ALA 2 1.846 7.434 21.672 11 HB3 ALA 2 HB3 ALA 2 2.663 5.882 21.858 12 H ALA 3 H ALA 3 5.237 5.995 23.195 13 HA ALA 3 HA ALA 3 7.435 5.428 21.375 14 HB1 ALA 3 HB1 ALA 3 7.880 5.805 23.769 15 HB2 ALA 3 HB2 ALA 3 8.380 4.189 23.272 16 HB3 ALA 3 HB3 ALA 3 6.880 4.409 24.172 17 H ALA 4 H ALA 4 7.724 3.602 20.230 18 HA ALA 4 HA ALA 4 6.205 1.196 20.886 19 HB1 ALA 4 HB1 ALA 4 5.647 1.054 18.333 20 HB2 ALA 4 HB2 ALA 4 5.811 2.808 18.388 21 HB3 ALA 4 HB3 ALA 4 4.611 2.004 19.398 22 H ALA 5 H ALA 5 7.124 -0.696 20.053 23 HA ALA 5 HA ALA 5 9.931 -0.633 19.663 24 HB1 ALA 5 HB1 ALA 5 9.045 -2.587 20.657 25 HB2 ALA 5 HB2 ALA 5 9.560 -3.091 19.048 26 HB3 ALA 5 HB3 ALA 5 7.852 -2.797 19.374 27 H ALA 6 H ALA 6 7.205 -0.883 17.430 28 HA ALA 6 HA ALA 6 8.689 -1.711 15.162 29 HB1 ALA 6 HB1 ALA 6 6.357 -2.036 15.048 30 HB2 ALA 6 HB2 ALA 6 6.673 -0.723 13.914 31 HB3 ALA 6 HB3 ALA 6 6.017 -0.369 15.512 32 H ARG 7 H ARG 7 7.541 1.524 16.160 33 HA ARG 7 HA ARG 7 8.674 2.870 13.939 34 HB2 ARG 7 HB2 ARG 7 8.270 4.923 15.217 35 HB3 ARG 7 HB3 ARG 7 6.873 3.849 15.281 36 HG2 ARG 7 HG2 ARG 7 7.699 2.996 17.488 37 HG3 ARG 7 HG3 ARG 7 8.978 4.209 17.430 38 HD2 ARG 7 HD2 ARG 7 5.999 4.770 17.392 39 HD3 ARG 7 HD3 ARG 7 7.084 5.036 18.754 40 HE ARG 7 HE ARG 7 6.801 6.704 16.411 41 HH11 ARG 7 HH11 ARG 7 8.945 5.829 19.048 42 HH12 ARG 7 HH12 ARG 7 9.854 7.299 18.930 43 HH21 ARG 7 HH21 ARG 7 8.008 8.575 16.301 44 HH22 ARG 7 HH22 ARG 7 9.328 8.833 17.392 45 H ASP 8 H ASP 8 9.925 2.118 17.163 46 HA ASP 8 HA ASP 8 12.249 3.697 17.078 47 HB2 ASP 8 HB2 ASP 8 11.755 1.029 18.418 48 HB3 ASP 8 HB3 ASP 8 13.161 2.047 18.713 49 H GLU 9 H GLU 9 11.605 0.425 15.881 50 HA GLU 9 HA GLU 9 14.260 -0.194 15.133 51 HB2 GLU 9 HB2 GLU 9 12.418 -1.857 15.379 52 HB3 GLU 9 HB3 GLU 9 11.710 -1.237 13.887 53 HG2 GLU 9 HG2 GLU 9 13.835 -1.754 12.699 54 HG3 GLU 9 HG3 GLU 9 14.471 -2.449 14.183 55 H SER 10 H SER 10 11.627 1.431 13.415 56 HA SER 10 HA SER 10 12.749 1.382 10.836 57 HB2 SER 10 HB2 SER 10 11.187 3.104 10.278 58 HB3 SER 10 HB3 SER 10 10.395 2.059 11.453 59 HG SER 10 HG SER 10 10.214 4.244 11.998 60 H ALA 11 H ALA 11 13.261 3.599 13.551 61 HA ALA 11 HA ALA 11 14.781 5.535 12.156 62 HB1 ALA 11 HB1 ALA 11 15.782 5.901 14.525 63 HB2 ALA 11 HB2 ALA 11 14.591 4.705 15.040 64 HB3 ALA 11 HB3 ALA 11 14.062 6.207 14.282 65 H TYR 12 H TYR 12 15.684 2.544 13.833 66 HA TYR 12 HA TYR 12 18.478 2.787 13.592 67 HB2 TYR 12 HB2 TYR 12 17.322 1.139 15.028 68 HB3 TYR 12 HB3 TYR 12 16.792 0.281 13.595 69 HD1 TYR 12 HD1 TYR 12 18.230 -1.260 12.478 70 HD2 TYR 12 HD2 TYR 12 19.770 1.280 15.581 71 HE1 TYR 12 HE1 TYR 12 20.333 -2.574 12.509 72 HE2 TYR 12 HE2 TYR 12 21.873 -0.033 15.611 73 HH TYR 12 HH TYR 12 22.586 -2.382 13.236 74 H LEU 13 H LEU 13 16.052 1.342 11.441 75 HA LEU 13 HA LEU 13 17.837 0.357 9.491 76 HB2 LEU 13 HB2 LEU 13 14.987 1.323 9.152 77 HB3 LEU 13 HB3 LEU 13 15.877 0.317 8.007 78 HG LEU 13 HG LEU 13 15.342 -0.459 10.888 79 HD11 LEU 13 HD11 LEU 13 13.278 -0.296 9.441 80 HD12 LEU 13 HD12 LEU 13 13.612 -1.919 10.045 81 HD13 LEU 13 HD13 LEU 13 14.004 -1.502 8.377 82 HD21 LEU 13 HD21 LEU 13 16.652 -1.772 8.514 83 HD22 LEU 13 HD22 LEU 13 15.899 -2.757 9.767 84 HD23 LEU 13 HD23 LEU 13 17.226 -1.672 10.178 85 H LYS 14 H LYS 14 16.315 3.527 9.909 86 HA LYS 14 HA LYS 14 16.973 4.668 7.439 87 HB2 LYS 14 HB2 LYS 14 15.492 5.706 9.151 88 HB3 LYS 14 HB3 LYS 14 16.918 6.052 10.130 89 HG2 LYS 14 HG2 LYS 14 17.860 7.374 8.245 90 HG3 LYS 14 HG3 LYS 14 16.378 7.086 7.331 91 HD2 LYS 14 HD2 LYS 14 15.087 8.149 9.198 92 HD3 LYS 14 HD3 LYS 14 16.620 8.559 9.969 93 HE2 LYS 14 HE2 LYS 14 15.870 10.482 8.692 94 HE3 LYS 14 HE3 LYS 14 17.274 9.786 7.881 95 HZ1 LYS 14 HZ1 LYS 14 14.460 9.169 7.167 96 HZ2 LYS 14 HZ2 LYS 14 15.857 8.684 6.331 97 HZ3 LYS 14 HZ3 LYS 14 15.414 10.322 6.369 98 H LEU 15 H LEU 15 18.868 4.394 10.424 99 HA LEU 15 HA LEU 15 21.098 5.896 9.545 100 HB2 LEU 15 HB2 LEU 15 21.004 3.637 11.561 101 HB3 LEU 15 HB3 LEU 15 22.298 4.823 11.395 102 HG LEU 15 HG LEU 15 19.411 5.500 12.034 103 HD11 LEU 15 HD11 LEU 15 20.627 6.207 14.258 104 HD12 LEU 15 HD12 LEU 15 21.842 5.035 13.743 105 HD13 LEU 15 HD13 LEU 15 20.177 4.519 14.013 106 HD21 LEU 15 HD21 LEU 15 20.414 7.370 10.946 107 HD22 LEU 15 HD22 LEU 15 21.948 7.128 11.781 108 HD23 LEU 15 HD23 LEU 15 20.544 7.715 12.670 109 H GLN 16 H GLN 16 20.210 2.501 9.115 110 HA GLN 16 HA GLN 16 22.705 1.524 8.255 111 HB2 GLN 16 HB2 GLN 16 19.911 0.659 7.476 112 HB3 GLN 16 HB3 GLN 16 21.378 -0.247 7.116 113 HG2 GLN 16 HG2 GLN 16 21.873 -0.463 9.497 114 HG3 GLN 16 HG3 GLN 16 20.472 0.523 9.903 115 HE21 GLN 16 HE21 GLN 16 20.814 -2.203 10.822 116 HE22 GLN 16 HE22 GLN 16 19.580 -3.137 10.126 117 H GLU 17 H GLU 17 20.024 2.990 6.435 118 HA GLU 17 HA GLU 17 21.069 2.672 3.849 119 HB2 GLU 17 HB2 GLU 17 19.366 4.896 5.006 120 HB3 GLU 17 HB3 GLU 17 19.652 4.648 3.286 121 HG2 GLU 17 HG2 GLU 17 18.325 2.677 5.167 122 HG3 GLU 17 HG3 GLU 17 17.510 3.651 3.948 123 H GLN 18 H GLN 18 21.554 5.197 6.258 124 HA GLN 18 HA GLN 18 22.995 7.032 4.703 125 HB2 GLN 18 HB2 GLN 18 23.043 6.458 7.672 126 HB3 GLN 18 HB3 GLN 18 23.755 7.883 6.927 127 HG2 GLN 18 HG2 GLN 18 20.837 7.096 6.736 128 HG3 GLN 18 HG3 GLN 18 21.483 8.350 7.789 129 HE21 GLN 18 HE21 GLN 18 19.796 8.155 5.023 130 HE22 GLN 18 HE22 GLN 18 20.445 9.470 4.170 131 H MET 19 H MET 19 24.072 4.221 6.572 132 HA MET 19 HA MET 19 26.809 4.787 6.665 133 HB2 MET 19 HB2 MET 19 25.380 2.127 6.479 134 HB3 MET 19 HB3 MET 19 27.095 2.299 6.838 135 HG2 MET 19 HG2 MET 19 24.837 3.488 8.477 136 HG3 MET 19 HG3 MET 19 25.740 2.035 8.892 137 HE1 MET 19 HE1 MET 19 28.913 3.014 8.043 138 HE2 MET 19 HE2 MET 19 28.085 1.847 9.071 139 HE3 MET 19 HE3 MET 19 29.166 3.036 9.792 140 H ARG 20 H ARG 20 24.876 3.257 4.125 141 HA ARG 20 HA ARG 20 27.294 2.870 2.506 142 HB2 ARG 20 HB2 ARG 20 25.919 1.466 1.091 143 HB3 ARG 20 HB3 ARG 20 25.708 0.988 2.773 144 HG2 ARG 20 HG2 ARG 20 23.634 2.427 2.834 145 HG3 ARG 20 HG3 ARG 20 23.810 2.649 1.092 146 HD2 ARG 20 HD2 ARG 20 23.800 0.150 0.839 147 HD3 ARG 20 HD3 ARG 20 23.438 0.024 2.556 148 HE ARG 20 HE ARG 20 21.267 0.765 2.126 149 HH11 ARG 20 HH11 ARG 20 23.210 1.128 -0.776 150 HH12 ARG 20 HH12 ARG 20 21.830 1.382 -1.791 151 HH21 ARG 20 HH21 ARG 20 19.525 1.094 0.763 152 HH22 ARG 20 HH22 ARG 20 19.772 1.364 -0.930 153 H LYS 21 H LYS 21 24.200 4.576 2.453 154 HA LYS 21 HA LYS 21 24.330 5.630 -0.143 155 HB2 LYS 21 HB2 LYS 21 22.347 5.739 1.380 156 HB3 LYS 21 HB3 LYS 21 23.184 6.979 2.315 157 HG2 LYS 21 HG2 LYS 21 21.802 8.188 0.812 158 HG3 LYS 21 HG3 LYS 21 23.413 8.262 0.098 159 HD2 LYS 21 HD2 LYS 21 22.867 6.428 -1.419 160 HD3 LYS 21 HD3 LYS 21 21.286 6.237 -0.658 161 HE2 LYS 21 HE2 LYS 21 21.012 7.530 -2.696 162 HE3 LYS 21 HE3 LYS 21 20.742 8.590 -1.313 163 HZ1 LYS 21 HZ1 LYS 21 23.301 8.340 -2.802 164 HZ2 LYS 21 HZ2 LYS 21 22.991 9.399 -1.510 165 HZ3 LYS 21 HZ3 LYS 21 22.182 9.602 -2.991 166 H ILE 22 H ILE 22 25.531 6.928 2.939 167 HA ILE 22 HA ILE 22 26.665 9.287 1.824 168 HB ILE 22 HB ILE 22 27.302 7.860 4.422 169 HG12 ILE 22 HG12 ILE 22 25.526 10.266 3.937 170 HG13 ILE 22 HG13 ILE 22 24.894 8.622 3.985 171 HG21 ILE 22 HG21 ILE 22 27.863 10.425 4.946 172 HG22 ILE 22 HG22 ILE 22 28.184 10.456 3.214 173 HG23 ILE 22 HG23 ILE 22 29.076 9.353 4.252 174 HD11 ILE 22 HD11 ILE 22 26.380 10.037 6.216 175 HD12 ILE 22 HD12 ILE 22 25.864 8.351 6.262 176 HD13 ILE 22 HD13 ILE 22 24.662 9.632 6.195 177 H ASP 23 H ASP 23 27.908 6.021 2.373 178 HA ASP 23 HA ASP 23 30.640 6.588 1.868 179 HB2 ASP 23 HB2 ASP 23 29.785 4.490 2.914 180 HB3 ASP 23 HB3 ASP 23 29.153 4.006 1.343 181 H ALA 24 H ALA 24 27.983 5.566 -0.271 182 HA ALA 24 HA ALA 24 29.611 5.244 -2.581 183 HB1 ALA 24 HB1 ALA 24 26.663 5.496 -2.093 184 HB2 ALA 24 HB2 ALA 24 27.573 4.133 -2.742 185 HB3 ALA 24 HB3 ALA 24 27.288 5.559 -3.740 186 H ASP 25 H ASP 25 27.556 7.907 -1.439 187 HA ASP 25 HA ASP 25 27.904 9.596 -3.666 188 HB2 ASP 25 HB2 ASP 25 27.348 10.282 -0.772 189 HB3 ASP 25 HB3 ASP 25 27.186 11.402 -2.123 190 H ALA 26 H ALA 26 29.794 9.197 -0.703 191 HA ALA 26 HA ALA 26 31.426 11.486 -1.013 192 HB1 ALA 26 HB1 ALA 26 32.172 8.897 0.360 193 HB2 ALA 26 HB2 ALA 26 31.159 10.142 1.091 194 HB3 ALA 26 HB3 ALA 26 32.834 10.501 0.674 195 H ALA 27 H ALA 27 31.841 8.117 -2.055 196 HA ALA 27 HA ALA 27 34.467 8.498 -3.103 197 HB1 ALA 27 HB1 ALA 27 33.847 6.325 -4.368 198 HB2 ALA 27 HB2 ALA 27 32.373 6.364 -3.398 199 HB3 ALA 27 HB3 ALA 27 33.947 6.272 -2.608 200 H ALA 28 H ALA 28 31.228 8.786 -4.466 201 HA ALA 28 HA ALA 28 31.963 8.694 -7.193 202 HB1 ALA 28 HB1 ALA 28 29.581 9.816 -5.733 203 HB2 ALA 28 HB2 ALA 28 29.682 8.349 -6.706 204 HB3 ALA 28 HB3 ALA 28 29.736 9.930 -7.486 205 H LEU 29 H LEU 29 31.537 11.440 -4.964 206 HA LEU 29 HA LEU 29 31.950 13.396 -7.002 207 HB2 LEU 29 HB2 LEU 29 31.877 15.024 -5.248 208 HB3 LEU 29 HB3 LEU 29 30.662 13.798 -4.921 209 HG LEU 29 HG LEU 29 32.760 12.725 -3.562 210 HD11 LEU 29 HD11 LEU 29 34.188 14.300 -2.609 211 HD12 LEU 29 HD12 LEU 29 33.082 15.639 -2.912 212 HD13 LEU 29 HD13 LEU 29 34.006 14.943 -4.240 213 HD21 LEU 29 HD21 LEU 29 31.767 13.700 -1.514 214 HD22 LEU 29 HD22 LEU 29 30.520 13.142 -2.629 215 HD23 LEU 29 HD23 LEU 29 30.884 14.863 -2.504 216 H SER 30 H SER 30 34.081 11.752 -4.746 217 HA SER 30 HA SER 30 36.283 13.489 -4.888 218 HB2 SER 30 HB2 SER 30 37.591 11.626 -4.059 219 HB3 SER 30 HB3 SER 30 36.024 11.625 -3.260 220 HG SER 30 HG SER 30 35.660 9.793 -4.192 221 H GLU 31 H GLU 31 35.235 10.905 -7.062 222 HA GLU 31 HA GLU 31 37.637 10.705 -8.555 223 HB2 GLU 31 HB2 GLU 31 34.777 10.122 -9.360 224 HB3 GLU 31 HB3 GLU 31 36.203 9.641 -10.280 225 HG2 GLU 31 HG2 GLU 31 35.616 8.823 -7.421 226 HG3 GLU 31 HG3 GLU 31 35.368 7.805 -8.834 227 H THR 32 H THR 32 34.705 12.659 -8.983 228 HA THR 32 HA THR 32 35.740 13.899 -11.395 229 HB THR 32 HB THR 32 33.634 15.154 -11.382 230 HG1 THR 32 HG1 THR 32 32.877 15.434 -9.469 231 HG21 THR 32 HG21 THR 32 32.958 12.318 -10.632 232 HG22 THR 32 HG22 THR 32 33.872 12.664 -12.100 233 HG23 THR 32 HG23 THR 32 32.251 13.327 -11.893 234 H ARG 33 H ARG 33 35.596 14.662 -7.981 235 HA ARG 33 HA ARG 33 36.302 16.471 -6.770 236 HB2 ARG 33 HB2 ARG 33 38.009 16.884 -9.233 237 HB3 ARG 33 HB3 ARG 33 38.231 17.734 -7.704 238 HG2 ARG 33 HG2 ARG 33 38.519 15.546 -6.558 239 HG3 ARG 33 HG3 ARG 33 38.388 14.734 -8.119 240 HD2 ARG 33 HD2 ARG 33 40.331 16.117 -8.920 241 HD3 ARG 33 HD3 ARG 33 40.514 16.720 -7.276 242 HE ARG 33 HE ARG 33 40.479 13.902 -7.208 243 HH11 ARG 33 HH11 ARG 33 42.573 16.492 -8.323 244 HH12 ARG 33 HH12 ARG 33 44.013 15.554 -8.109 245 HH21 ARG 33 HH21 ARG 33 42.368 12.745 -6.951 246 HH22 ARG 33 HH22 ARG 33 43.897 13.459 -7.343 247 H THR 34 H THR 34 33.992 17.142 -7.258 248 HA THR 34 HA THR 34 34.083 19.871 -8.379 249 HB THR 34 HB THR 34 32.974 18.438 -10.029 250 HG1 THR 34 HG1 THR 34 32.051 20.366 -9.940 251 HG21 THR 34 HG21 THR 34 32.219 16.770 -8.204 252 HG22 THR 34 HG22 THR 34 31.107 17.080 -9.536 253 HG23 THR 34 HG23 THR 34 30.848 17.854 -7.973 254 H ILE 35 H ILE 35 33.019 21.399 -7.208 255 HA ILE 35 HA ILE 35 32.431 20.768 -4.488 256 HB ILE 35 HB ILE 35 33.467 22.891 -5.221 257 HG12 ILE 35 HG12 ILE 35 31.841 24.386 -3.853 258 HG13 ILE 35 HG13 ILE 35 30.920 22.905 -3.610 259 HG21 ILE 35 HG21 ILE 35 31.762 23.043 -7.213 260 HG22 ILE 35 HG22 ILE 35 32.349 24.520 -6.447 261 HG23 ILE 35 HG23 ILE 35 30.756 23.886 -6.034 262 HD11 ILE 35 HD11 ILE 35 33.679 23.596 -2.656 263 HD12 ILE 35 HD12 ILE 35 33.269 21.906 -2.940 264 HD13 ILE 35 HD13 ILE 35 32.347 22.851 -1.772 265 H GLU 36 H GLU 36 30.443 21.171 -7.344 266 HA GLU 36 HA GLU 36 28.027 21.922 -6.165 267 HB2 GLU 36 HB2 GLU 36 28.477 21.832 -8.620 268 HB3 GLU 36 HB3 GLU 36 28.348 20.074 -8.538 269 HG2 GLU 36 HG2 GLU 36 26.056 20.320 -7.595 270 HG3 GLU 36 HG3 GLU 36 26.187 22.061 -7.788 271 H GLU 37 H GLU 37 29.297 18.641 -6.765 272 HA GLU 37 HA GLU 37 27.048 17.296 -5.668 273 HB2 GLU 37 HB2 GLU 37 29.903 16.372 -6.035 274 HB3 GLU 37 HB3 GLU 37 28.551 15.322 -5.607 275 HG2 GLU 37 HG2 GLU 37 27.373 16.048 -7.679 276 HG3 GLU 37 HG3 GLU 37 28.784 16.998 -8.121 277 H LEU 38 H LEU 38 30.031 18.529 -4.247 278 HA LEU 38 HA LEU 38 29.960 17.237 -1.775 279 HB2 LEU 38 HB2 LEU 38 31.809 18.695 -2.620 280 HB3 LEU 38 HB3 LEU 38 30.803 20.100 -2.267 281 HG LEU 38 HG LEU 38 30.617 19.170 0.119 282 HD11 LEU 38 HD11 LEU 38 31.385 16.913 -0.253 283 HD12 LEU 38 HD12 LEU 38 32.597 17.723 0.740 284 HD13 LEU 38 HD13 LEU 38 32.883 17.489 -0.985 285 HD21 LEU 38 HD21 LEU 38 32.694 20.223 0.779 286 HD22 LEU 38 HD22 LEU 38 32.060 21.103 -0.610 287 HD23 LEU 38 HD23 LEU 38 33.389 19.962 -0.820 288 H ASP 39 H ASP 39 28.153 20.048 -2.922 289 HA ASP 39 HA ASP 39 27.258 21.064 -0.484 290 HB2 ASP 39 HB2 ASP 39 25.867 20.996 -3.170 291 HB3 ASP 39 HB3 ASP 39 25.351 21.981 -1.803 292 H THR 40 H THR 40 25.893 18.457 -2.484 293 HA THR 40 HA THR 40 23.588 18.090 -0.841 294 HB THR 40 HB THR 40 23.271 16.004 -2.076 295 HG1 THR 40 HG1 THR 40 25.524 16.437 -3.563 296 HG21 THR 40 HG21 THR 40 22.909 16.988 -4.207 297 HG22 THR 40 HG22 THR 40 24.251 18.115 -3.999 298 HG23 THR 40 HG23 THR 40 22.776 18.316 -3.054 299 H PHE 41 H PHE 41 26.852 16.757 -0.783 300 HA PHE 41 HA PHE 41 26.401 14.540 0.866 301 HB2 PHE 41 HB2 PHE 41 28.523 14.942 -0.270 302 HB3 PHE 41 HB3 PHE 41 28.811 16.351 0.721 303 HD1 PHE 41 HD1 PHE 41 31.045 15.141 1.019 304 HD2 PHE 41 HD2 PHE 41 27.355 13.630 2.627 305 HE1 PHE 41 HE1 PHE 41 32.310 13.730 2.617 306 HE2 PHE 41 HE2 PHE 41 28.632 12.233 4.229 307 HZ PHE 41 HZ PHE 41 31.091 12.272 4.217 308 H LYS 42 H LYS 42 27.080 17.928 1.728 309 HA LYS 42 HA LYS 42 27.229 17.604 4.505 310 HB2 LYS 42 HB2 LYS 42 26.192 19.942 2.887 311 HB3 LYS 42 HB3 LYS 42 26.539 20.001 4.616 312 HG2 LYS 42 HG2 LYS 42 28.884 19.301 4.133 313 HG3 LYS 42 HG3 LYS 42 28.521 19.380 2.408 314 HD2 LYS 42 HD2 LYS 42 27.883 21.776 2.689 315 HD3 LYS 42 HD3 LYS 42 28.381 21.679 4.378 316 HE2 LYS 42 HE2 LYS 42 30.650 20.878 3.518 317 HE3 LYS 42 HE3 LYS 42 30.109 21.383 1.916 318 HZ1 LYS 42 HZ1 LYS 42 30.500 23.492 2.419 319 HZ2 LYS 42 HZ2 LYS 42 31.235 22.972 3.859 320 HZ3 LYS 42 HZ3 LYS 42 29.591 23.397 3.848 321 H LEU 43 H LEU 43 24.413 18.065 2.398 322 HA LEU 43 HA LEU 43 22.463 18.239 4.435 323 HB2 LEU 43 HB2 LEU 43 22.184 17.123 1.632 324 HB3 LEU 43 HB3 LEU 43 20.861 17.641 2.676 325 HG LEU 43 HG LEU 43 23.113 19.441 1.739 326 HD11 LEU 43 HD11 LEU 43 21.427 18.590 -0.015 327 HD12 LEU 43 HD12 LEU 43 21.613 20.337 0.132 328 HD13 LEU 43 HD13 LEU 43 20.224 19.534 0.864 329 HD21 LEU 43 HD21 LEU 43 22.262 20.295 3.790 330 HD22 LEU 43 HD22 LEU 43 20.605 19.859 3.374 331 HD23 LEU 43 HD23 LEU 43 21.401 21.194 2.541 332 H ASP 44 H ASP 44 23.852 15.470 2.705 333 HA ASP 44 HA ASP 44 22.206 13.471 3.825 334 HB2 ASP 44 HB2 ASP 44 25.065 13.324 2.841 335 HB3 ASP 44 HB3 ASP 44 24.053 11.926 3.203 336 H VAL 45 H VAL 45 25.288 14.874 4.890 337 HA VAL 45 HA VAL 45 25.618 13.208 7.166 338 HB VAL 45 HB VAL 45 26.638 16.021 6.686 339 HG11 VAL 45 HG11 VAL 45 27.260 13.892 8.725 340 HG12 VAL 45 HG12 VAL 45 26.992 15.618 8.974 341 HG13 VAL 45 HG13 VAL 45 28.496 15.055 8.244 342 HG21 VAL 45 HG21 VAL 45 28.099 13.405 6.276 343 HG22 VAL 45 HG22 VAL 45 28.589 15.014 5.749 344 HG23 VAL 45 HG23 VAL 45 27.229 14.208 4.972 345 H ALA 46 H ALA 46 24.099 16.386 6.683 346 HA ALA 46 HA ALA 46 23.475 16.916 9.373 347 HB1 ALA 46 HB1 ALA 46 21.498 18.219 8.241 348 HB2 ALA 46 HB2 ALA 46 22.330 17.800 6.744 349 HB3 ALA 46 HB3 ALA 46 23.158 18.750 7.978 350 H ASP 47 H ASP 47 21.509 15.372 6.823 351 HA ASP 47 HA ASP 47 19.338 14.620 8.439 352 HB2 ASP 47 HB2 ASP 47 19.500 14.459 5.912 353 HB3 ASP 47 HB3 ASP 47 20.453 12.995 6.148 354 H PHE 48 H PHE 48 22.438 13.015 7.796 355 HA PHE 48 HA PHE 48 21.871 10.608 9.139 356 HB2 PHE 48 HB2 PHE 48 23.827 11.157 7.584 357 HB3 PHE 48 HB3 PHE 48 24.587 11.897 8.972 358 HD1 PHE 48 HD1 PHE 48 26.495 10.369 8.660 359 HD2 PHE 48 HD2 PHE 48 22.580 8.853 9.503 360 HE1 PHE 48 HE1 PHE 48 27.456 8.172 9.235 361 HE2 PHE 48 HE2 PHE 48 23.547 6.664 10.125 362 HZ PHE 48 HZ PHE 48 26.010 6.318 10.009 363 H VAL 49 H VAL 49 23.284 13.659 10.261 364 HA VAL 49 HA VAL 49 23.720 12.763 12.939 365 HB VAL 49 HB VAL 49 23.481 15.570 11.819 366 HG11 VAL 49 HG11 VAL 49 23.147 15.573 14.245 367 HG12 VAL 49 HG12 VAL 49 24.743 16.219 13.866 368 HG13 VAL 49 HG13 VAL 49 24.580 14.569 14.466 369 HG21 VAL 49 HG21 VAL 49 25.801 15.529 11.503 370 HG22 VAL 49 HG22 VAL 49 25.339 13.900 11.014 371 HG23 VAL 49 HG23 VAL 49 26.028 14.179 12.612 372 H THR 50 H THR 50 21.097 14.488 11.290 373 HA THR 50 HA THR 50 19.631 15.321 13.509 374 HB THR 50 HB THR 50 18.513 14.385 10.855 375 HG1 THR 50 HG1 THR 50 18.817 16.538 10.326 376 HG21 THR 50 HG21 THR 50 16.872 16.318 11.522 377 HG22 THR 50 HG22 THR 50 17.448 15.996 13.157 378 HG23 THR 50 HG23 THR 50 16.656 14.720 12.233 379 H THR 51 H THR 51 19.565 12.211 11.802 380 HA THR 51 HA THR 51 17.399 11.094 13.241 381 HB THR 51 HB THR 51 19.725 9.634 11.967 382 HG1 THR 51 HG1 THR 51 18.487 11.131 10.656 383 HG21 THR 51 HG21 THR 51 18.187 8.339 13.495 384 HG22 THR 51 HG22 THR 51 18.196 7.772 11.825 385 HG23 THR 51 HG23 THR 51 16.860 8.760 12.415 386 H VAL 52 H VAL 52 20.895 11.102 13.806 387 HA VAL 52 HA VAL 52 20.878 9.233 15.941 388 HB VAL 52 HB VAL 52 22.859 11.451 15.347 389 HG11 VAL 52 HG11 VAL 52 22.985 10.443 17.661 390 HG12 VAL 52 HG12 VAL 52 24.427 10.186 16.686 391 HG13 VAL 52 HG13 VAL 52 23.266 8.878 16.898 392 HG21 VAL 52 HG21 VAL 52 22.356 9.657 13.540 393 HG22 VAL 52 HG22 VAL 52 23.130 8.527 14.648 394 HG23 VAL 52 HG23 VAL 52 24.037 9.896 14.010 395 H VAL 53 H VAL 53 20.839 12.802 15.881 396 HA VAL 53 HA VAL 53 20.837 13.085 18.709 397 HB VAL 53 HB VAL 53 20.188 15.425 18.275 398 HG11 VAL 53 HG11 VAL 53 22.250 16.017 17.383 399 HG12 VAL 53 HG12 VAL 53 22.212 14.739 16.167 400 HG13 VAL 53 HG13 VAL 53 22.563 14.347 17.850 401 HG21 VAL 53 HG21 VAL 53 19.898 16.163 15.930 402 HG22 VAL 53 HG22 VAL 53 18.642 15.017 16.401 403 HG23 VAL 53 HG23 VAL 53 19.990 14.484 15.397 404 H GLN 54 H GLN 54 18.242 12.774 16.329 405 HA GLN 54 HA GLN 54 16.067 13.526 17.930 406 HB2 GLN 54 HB2 GLN 54 15.964 13.006 15.481 407 HB3 GLN 54 HB3 GLN 54 16.100 11.293 15.885 408 HG2 GLN 54 HG2 GLN 54 13.767 11.691 15.677 409 HG3 GLN 54 HG3 GLN 54 14.071 11.652 17.412 410 HE21 GLN 54 HE21 GLN 54 13.191 13.387 18.540 411 HE22 GLN 54 HE22 GLN 54 12.831 14.902 17.867 412 H LEU 55 H LEU 55 17.670 10.374 17.560 413 HA LEU 55 HA LEU 55 16.095 8.986 19.466 414 HB2 LEU 55 HB2 LEU 55 18.968 8.493 18.646 415 HB3 LEU 55 HB3 LEU 55 17.918 7.346 19.476 416 HG LEU 55 HG LEU 55 17.353 8.534 16.742 417 HD11 LEU 55 HD11 LEU 55 19.229 7.038 16.545 418 HD12 LEU 55 HD12 LEU 55 17.806 6.149 16.003 419 HD13 LEU 55 HD13 LEU 55 18.470 5.855 17.610 420 HD21 LEU 55 HD21 LEU 55 15.719 6.516 16.770 421 HD22 LEU 55 HD22 LEU 55 15.270 7.945 17.701 422 HD23 LEU 55 HD23 LEU 55 15.947 6.537 18.519 423 H ALA 56 H ALA 56 19.013 10.964 19.747 424 HA ALA 56 HA ALA 56 19.678 10.305 22.409 425 HB1 ALA 56 HB1 ALA 56 20.127 12.981 21.080 426 HB2 ALA 56 HB2 ALA 56 21.114 11.559 20.743 427 HB3 ALA 56 HB3 ALA 56 21.079 12.243 22.367 428 H GLU 57 H GLU 57 17.682 12.932 21.063 429 HA GLU 57 HA GLU 57 16.959 14.024 23.595 430 HB2 GLU 57 HB2 GLU 57 16.817 15.272 21.442 431 HB3 GLU 57 HB3 GLU 57 15.473 14.234 20.966 432 HG2 GLU 57 HG2 GLU 57 14.236 14.956 23.002 433 HG3 GLU 57 HG3 GLU 57 15.552 16.050 23.392 434 H GLU 58 H GLU 58 15.468 11.659 21.426 435 HA GLU 58 HA GLU 58 12.968 11.480 22.686 436 HB2 GLU 58 HB2 GLU 58 13.562 10.519 20.452 437 HB3 GLU 58 HB3 GLU 58 14.435 9.234 21.292 438 HG2 GLU 58 HG2 GLU 58 12.342 8.655 22.510 439 HG3 GLU 58 HG3 GLU 58 11.488 9.878 21.579 440 H LEU 59 H LEU 59 16.031 9.861 23.386 441 HA LEU 59 HA LEU 59 15.065 7.887 25.134 442 HB2 LEU 59 HB2 LEU 59 17.377 7.992 24.183 443 HB3 LEU 59 HB3 LEU 59 17.732 9.301 25.311 444 HG LEU 59 HG LEU 59 16.989 7.733 27.174 445 HD11 LEU 59 HD11 LEU 59 16.996 5.864 24.807 446 HD12 LEU 59 HD12 LEU 59 15.759 6.059 26.047 447 HD13 LEU 59 HD13 LEU 59 17.283 5.263 26.440 448 HD21 LEU 59 HD21 LEU 59 19.148 6.697 27.318 449 HD22 LEU 59 HD22 LEU 59 19.393 8.226 26.474 450 HD23 LEU 59 HD23 LEU 59 19.345 6.715 25.566 451 H GLU 60 H GLU 60 15.930 11.270 25.706 452 HA GLU 60 HA GLU 60 15.955 11.180 28.526 453 HB2 GLU 60 HB2 GLU 60 15.322 13.465 26.648 454 HB3 GLU 60 HB3 GLU 60 15.587 13.641 28.383 455 HG2 GLU 60 HG2 GLU 60 17.837 12.620 28.113 456 HG3 GLU 60 HG3 GLU 60 17.576 12.546 26.375 457 H HIS 61 H HIS 61 13.326 11.708 26.214 458 HA HIS 61 HA HIS 61 11.406 12.627 28.062 459 HB2 HIS 61 HB2 HIS 61 11.081 11.186 25.433 460 HB3 HIS 61 HB3 HIS 61 9.753 11.890 26.335 461 HD1 HIS 61 HD1 HIS 61 10.404 14.616 26.977 462 HD2 HIS 61 HD2 HIS 61 11.933 12.915 23.493 463 HE1 HIS 61 HE1 HIS 61 11.041 16.540 25.461 464 H ARG 62 H ARG 62 12.024 9.339 26.813 465 HA ARG 62 HA ARG 62 9.919 8.083 28.209 466 HB2 ARG 62 HB2 ARG 62 12.564 6.965 27.255 467 HB3 ARG 62 HB3 ARG 62 11.198 5.993 27.802 468 HG2 ARG 62 HG2 ARG 62 9.786 7.032 26.034 469 HG3 ARG 62 HG3 ARG 62 11.203 7.907 25.451 470 HD2 ARG 62 HD2 ARG 62 12.357 5.691 25.150 471 HD3 ARG 62 HD3 ARG 62 10.829 4.905 25.540 472 HE ARG 62 HE ARG 62 10.535 6.833 23.441 473 HH11 ARG 62 HH11 ARG 62 11.600 3.545 24.055 474 HH12 ARG 62 HH12 ARG 62 11.252 3.025 22.440 475 HH21 ARG 62 HH21 ARG 62 10.099 6.106 21.383 476 HH22 ARG 62 HH22 ARG 62 10.406 4.459 20.947 477 H PHE 63 H PHE 63 13.351 8.504 29.047 478 HA PHE 63 HA PHE 63 13.270 7.117 31.504 479 HB2 PHE 63 HB2 PHE 63 15.064 9.224 30.353 480 HB3 PHE 63 HB3 PHE 63 15.268 8.697 32.013 481 HD1 PHE 63 HD1 PHE 63 16.998 7.192 32.281 482 HD2 PHE 63 HD2 PHE 63 14.602 7.002 28.722 483 HE1 PHE 63 HE1 PHE 63 18.322 5.248 31.496 484 HE2 PHE 63 HE2 PHE 63 15.926 5.057 27.935 485 HZ PHE 63 HZ PHE 63 17.786 4.180 29.322 486 H GLY 64 H GLY 64 12.533 10.463 30.665 487 HA2 GLY 64 HA2 GLY 64 11.347 12.050 31.878 488 HA3 GLY 64 HA3 GLY 64 11.201 10.893 33.193 489 H ARG 65 H ARG 65 14.354 11.620 31.869 490 HA ARG 65 HA ARG 65 14.952 13.401 34.143 491 HB2 ARG 65 HB2 ARG 65 16.688 11.105 33.196 492 HB3 ARG 65 HB3 ARG 65 17.081 12.237 34.489 493 HG2 ARG 65 HG2 ARG 65 14.642 10.438 34.508 494 HG3 ARG 65 HG3 ARG 65 16.165 10.035 35.300 495 HD2 ARG 65 HD2 ARG 65 15.980 12.147 36.628 496 HD3 ARG 65 HD3 ARG 65 14.399 12.427 35.904 497 HE ARG 65 HE ARG 65 14.613 9.834 37.131 498 HH11 ARG 65 HH11 ARG 65 13.973 13.219 37.811 499 HH12 ARG 65 HH12 ARG 65 13.025 12.861 39.216 500 HH21 ARG 65 HH21 ARG 65 13.378 9.435 38.946 501 HH22 ARG 65 HH22 ARG 65 12.693 10.746 39.849 502 H ASN 66 H ASN 66 16.906 14.696 33.809 503 HA ASN 66 HA ASN 66 17.049 15.518 30.998 504 HB2 ASN 66 HB2 ASN 66 16.551 17.152 32.872 505 HB3 ASN 66 HB3 ASN 66 18.225 16.944 33.383 506 HD21 ASN 66 HD21 ASN 66 18.708 19.208 32.811 507 HD22 ASN 66 HD22 ASN 66 18.863 19.671 31.185 508 H ARG 67 H ARG 67 18.939 15.735 29.868 509 HA ARG 67 HA ARG 67 21.113 15.442 29.238 510 HB2 ARG 67 HB2 ARG 67 21.754 15.139 32.177 511 HB3 ARG 67 HB3 ARG 67 22.878 15.520 30.879 512 HG2 ARG 67 HG2 ARG 67 20.522 17.270 31.626 513 HG3 ARG 67 HG3 ARG 67 22.158 17.515 32.235 514 HD2 ARG 67 HD2 ARG 67 21.371 17.514 29.304 515 HD3 ARG 67 HD3 ARG 67 21.688 18.947 30.272 516 HE ARG 67 HE ARG 67 23.890 17.145 30.399 517 HH11 ARG 67 HH11 ARG 67 22.398 19.486 28.250 518 HH12 ARG 67 HH12 ARG 67 23.886 19.835 27.435 519 HH21 ARG 67 HH21 ARG 67 25.776 17.638 29.315 520 HH22 ARG 67 HH22 ARG 67 25.773 18.801 28.031 521 H ARG 68 H ARG 68 20.283 13.439 28.326 522 HA ARG 68 HA ARG 68 21.923 11.224 29.367 523 HB2 ARG 68 HB2 ARG 68 19.109 10.962 28.276 524 HB3 ARG 68 HB3 ARG 68 20.176 9.615 28.655 525 HG2 ARG 68 HG2 ARG 68 19.319 11.700 30.678 526 HG3 ARG 68 HG3 ARG 68 18.513 10.147 30.470 527 HD2 ARG 68 HD2 ARG 68 20.735 9.030 30.886 528 HD3 ARG 68 HD3 ARG 68 21.390 10.612 31.295 529 HE ARG 68 HE ARG 68 19.583 9.008 32.899 530 HH11 ARG 68 HH11 ARG 68 20.879 12.226 32.380 531 HH12 ARG 68 HH12 ARG 68 20.519 12.740 33.994 532 HH21 ARG 68 HH21 ARG 68 19.141 9.723 34.958 533 HH22 ARG 68 HH22 ARG 68 19.548 11.338 35.436 534 H GLY 69 H GLY 69 23.400 10.741 27.863 535 HA2 GLY 69 HA2 GLY 69 24.435 10.503 25.818 536 HA3 GLY 69 HA3 GLY 69 22.831 10.161 25.173 537 H ARG 70 H ARG 70 24.668 12.975 26.394 538 HA ARG 70 HA ARG 70 23.708 14.516 24.055 539 HB2 ARG 70 HB2 ARG 70 24.027 15.446 26.915 540 HB3 ARG 70 HB3 ARG 70 23.766 16.527 25.550 541 HG2 ARG 70 HG2 ARG 70 21.887 14.265 26.275 542 HG3 ARG 70 HG3 ARG 70 21.668 15.929 26.816 543 HD2 ARG 70 HD2 ARG 70 21.722 16.625 24.384 544 HD3 ARG 70 HD3 ARG 70 21.674 14.919 23.960 545 HE ARG 70 HE ARG 70 19.546 15.072 25.546 546 HH11 ARG 70 HH11 ARG 70 20.542 17.239 22.965 547 HH12 ARG 70 HH12 ARG 70 18.921 17.753 22.639 548 HH21 ARG 70 HH21 ARG 70 17.480 15.779 25.074 549 HH22 ARG 70 HH22 ARG 70 17.219 16.947 23.822 550 H THR 71 H THR 71 26.157 14.634 26.663 551 HA THR 71 HA THR 71 27.938 16.335 25.332 552 HB THR 71 HB THR 71 29.637 15.496 26.887 553 HG1 THR 71 HG1 THR 71 28.716 13.780 28.289 554 HG21 THR 71 HG21 THR 71 26.955 15.590 28.284 555 HG22 THR 71 HG22 THR 71 27.767 17.023 27.654 556 HG23 THR 71 HG23 THR 71 28.522 16.074 28.934 557 H GLU 72 H GLU 72 27.685 12.803 25.314 558 HA GLU 72 HA GLU 72 29.987 12.329 23.721 559 HB2 GLU 72 HB2 GLU 72 27.501 10.659 24.160 560 HB3 GLU 72 HB3 GLU 72 28.972 10.086 23.371 561 HG2 GLU 72 HG2 GLU 72 30.262 10.652 25.418 562 HG3 GLU 72 HG3 GLU 72 28.769 11.141 26.205 563 H ILE 73 H ILE 73 26.592 12.941 22.936 564 HA ILE 73 HA ILE 73 26.715 12.188 20.207 565 HB ILE 73 HB ILE 73 24.919 14.294 21.428 566 HG12 ILE 73 HG12 ILE 73 24.724 12.256 22.757 567 HG13 ILE 73 HG13 ILE 73 23.292 12.444 21.754 568 HG21 ILE 73 HG21 ILE 73 24.696 12.518 18.987 569 HG22 ILE 73 HG22 ILE 73 24.823 14.276 19.016 570 HG23 ILE 73 HG23 ILE 73 23.368 13.488 19.624 571 HD11 ILE 73 HD11 ILE 73 25.263 10.295 21.780 572 HD12 ILE 73 HD12 ILE 73 25.027 10.933 20.155 573 HD13 ILE 73 HD13 ILE 73 23.652 10.323 21.074 574 H TYR 74 H TYR 74 27.158 15.308 21.842 575 HA TYR 74 HA TYR 74 27.210 16.811 19.427 576 HB2 TYR 74 HB2 TYR 74 28.098 17.545 22.211 577 HB3 TYR 74 HB3 TYR 74 27.931 18.672 20.878 578 HD1 TYR 74 HD1 TYR 74 25.415 17.737 19.612 579 HD2 TYR 74 HD2 TYR 74 26.455 18.167 23.758 580 HE1 TYR 74 HE1 TYR 74 23.020 18.021 20.179 581 HE2 TYR 74 HE2 TYR 74 24.058 18.452 24.327 582 HH TYR 74 HH TYR 74 21.607 18.614 21.851 583 H LYS 75 H LYS 75 29.785 15.472 21.481 584 HA LYS 75 HA LYS 75 31.897 16.970 20.360 585 HB2 LYS 75 HB2 LYS 75 32.056 15.663 22.479 586 HB3 LYS 75 HB3 LYS 75 32.077 14.182 21.518 587 HG2 LYS 75 HG2 LYS 75 34.085 15.020 20.313 588 HG3 LYS 75 HG3 LYS 75 34.087 16.448 21.347 589 HD2 LYS 75 HD2 LYS 75 34.281 14.938 23.339 590 HD3 LYS 75 HD3 LYS 75 34.440 13.571 22.235 591 HE2 LYS 75 HE2 LYS 75 36.653 14.413 22.988 592 HE3 LYS 75 HE3 LYS 75 36.447 14.568 21.244 593 HZ1 LYS 75 HZ1 LYS 75 36.391 16.801 21.357 594 HZ2 LYS 75 HZ2 LYS 75 37.247 16.559 22.804 595 HZ3 LYS 75 HZ3 LYS 75 35.570 16.831 22.840 596 H ILE 76 H ILE 76 30.549 13.803 19.460 597 HA ILE 76 HA ILE 76 32.519 13.186 17.528 598 HB ILE 76 HB ILE 76 29.649 12.241 17.644 599 HG12 ILE 76 HG12 ILE 76 30.794 11.811 19.759 600 HG13 ILE 76 HG13 ILE 76 30.581 10.305 18.878 601 HG21 ILE 76 HG21 ILE 76 30.669 10.212 16.511 602 HG22 ILE 76 HG22 ILE 76 32.118 11.184 16.253 603 HG23 ILE 76 HG23 ILE 76 30.590 11.667 15.517 604 HD11 ILE 76 HD11 ILE 76 32.787 9.962 19.213 605 HD12 ILE 76 HD12 ILE 76 33.039 11.623 19.737 606 HD13 ILE 76 HD13 ILE 76 33.083 11.226 18.022 607 H VAL 77 H VAL 77 29.345 14.781 17.228 608 HA VAL 77 HA VAL 77 29.441 14.940 14.390 609 HB VAL 77 HB VAL 77 27.585 16.566 14.634 610 HG11 VAL 77 HG11 VAL 77 26.120 14.944 16.028 611 HG12 VAL 77 HG12 VAL 77 27.583 13.971 16.173 612 HG13 VAL 77 HG13 VAL 77 26.900 14.305 14.583 613 HG21 VAL 77 HG21 VAL 77 27.989 16.133 17.606 614 HG22 VAL 77 HG22 VAL 77 26.777 17.162 16.841 615 HG23 VAL 77 HG23 VAL 77 28.483 17.596 16.756 616 H LYS 78 H LYS 78 30.604 17.087 16.946 617 HA LYS 78 HA LYS 78 31.215 19.329 15.369 618 HB2 LYS 78 HB2 LYS 78 32.565 18.187 17.819 619 HB3 LYS 78 HB3 LYS 78 33.031 19.725 17.093 620 HG2 LYS 78 HG2 LYS 78 30.173 19.147 17.875 621 HG3 LYS 78 HG3 LYS 78 31.327 19.824 19.026 622 HD2 LYS 78 HD2 LYS 78 31.767 21.683 17.430 623 HD3 LYS 78 HD3 LYS 78 30.533 21.032 16.356 624 HE2 LYS 78 HE2 LYS 78 28.859 21.261 18.180 625 HE3 LYS 78 HE3 LYS 78 30.099 21.992 19.195 626 HZ1 LYS 78 HZ1 LYS 78 28.857 23.050 16.744 627 HZ2 LYS 78 HZ2 LYS 78 30.399 23.581 17.213 628 HZ3 LYS 78 HZ3 LYS 78 29.071 23.809 18.245 629 H GLU 79 H GLU 79 33.005 16.319 15.902 630 HA GLU 79 HA GLU 79 35.365 17.132 14.548 631 HB2 GLU 79 HB2 GLU 79 34.234 14.356 14.979 632 HB3 GLU 79 HB3 GLU 79 35.872 14.714 14.430 633 HG2 GLU 79 HG2 GLU 79 34.671 15.621 17.060 634 HG3 GLU 79 HG3 GLU 79 35.802 14.288 16.866 635 H VAL 80 H VAL 80 32.358 15.628 13.450 636 HA VAL 80 HA VAL 80 33.289 14.865 10.885 637 HB VAL 80 HB VAL 80 30.465 15.507 11.776 638 HG11 VAL 80 HG11 VAL 80 29.971 13.788 9.922 639 HG12 VAL 80 HG12 VAL 80 31.614 14.097 9.363 640 HG13 VAL 80 HG13 VAL 80 30.436 15.409 9.405 641 HG21 VAL 80 HG21 VAL 80 31.705 13.753 13.111 642 HG22 VAL 80 HG22 VAL 80 31.872 12.828 11.619 643 HG23 VAL 80 HG23 VAL 80 30.269 13.153 12.278 644 H ASP 81 H ASP 81 31.714 17.825 12.067 645 HA ASP 81 HA ASP 81 31.116 18.916 9.543 646 HB2 ASP 81 HB2 ASP 81 31.620 20.266 12.199 647 HB3 ASP 81 HB3 ASP 81 31.000 21.093 10.772 648 H ARG 82 H ARG 82 33.956 19.472 11.651 649 HA ARG 82 HA ARG 82 35.121 21.428 9.991 650 HB2 ARG 82 HB2 ARG 82 36.355 19.596 12.045 651 HB3 ARG 82 HB3 ARG 82 37.242 20.885 11.227 652 HG2 ARG 82 HG2 ARG 82 35.503 22.507 12.016 653 HG3 ARG 82 HG3 ARG 82 34.770 21.204 12.952 654 HD2 ARG 82 HD2 ARG 82 37.602 22.232 13.257 655 HD3 ARG 82 HD3 ARG 82 36.273 22.543 14.366 656 HE ARG 82 HE ARG 82 37.735 20.028 14.034 657 HH11 ARG 82 HH11 ARG 82 35.005 21.661 15.534 658 HH12 ARG 82 HH12 ARG 82 34.854 20.466 16.776 659 HH21 ARG 82 HH21 ARG 82 37.484 18.530 15.663 660 HH22 ARG 82 HH22 ARG 82 36.236 18.720 16.849 661 H LYS 83 H LYS 83 35.541 17.898 10.057 662 HA LYS 83 HA LYS 83 37.601 17.759 8.141 663 HB2 LYS 83 HB2 LYS 83 35.370 15.775 8.642 664 HB3 LYS 83 HB3 LYS 83 36.864 15.445 7.767 665 HG2 LYS 83 HG2 LYS 83 36.754 16.378 10.644 666 HG3 LYS 83 HG3 LYS 83 36.926 14.692 10.161 667 HD2 LYS 83 HD2 LYS 83 38.992 15.372 8.871 668 HD3 LYS 83 HD3 LYS 83 38.854 16.966 9.615 669 HE2 LYS 83 HE2 LYS 83 38.907 14.451 11.279 670 HE3 LYS 83 HE3 LYS 83 40.391 15.270 10.790 671 HZ1 LYS 83 HZ1 LYS 83 38.194 16.764 12.073 672 HZ2 LYS 83 HZ2 LYS 83 39.846 17.156 11.987 673 HZ3 LYS 83 HZ3 LYS 83 39.317 15.908 13.011 674 H LEU 84 H LEU 84 34.072 17.896 7.760 675 HA LEU 84 HA LEU 84 34.051 17.656 4.937 676 HB2 LEU 84 HB2 LEU 84 32.115 19.057 6.798 677 HB3 LEU 84 HB3 LEU 84 31.811 18.729 5.093 678 HG LEU 84 HG LEU 84 32.466 16.580 7.126 679 HD11 LEU 84 HD11 LEU 84 30.275 17.800 7.525 680 HD12 LEU 84 HD12 LEU 84 30.114 16.074 7.200 681 HD13 LEU 84 HD13 LEU 84 29.764 17.247 5.931 682 HD21 LEU 84 HD21 LEU 84 31.362 15.190 5.236 683 HD22 LEU 84 HD22 LEU 84 32.998 15.786 4.954 684 HD23 LEU 84 HD23 LEU 84 31.622 16.612 4.224 685 H LEU 85 H LEU 85 34.289 20.467 7.103 686 HA LEU 85 HA LEU 85 34.314 22.450 5.085 687 HB2 LEU 85 HB2 LEU 85 35.610 22.441 7.823 688 HB3 LEU 85 HB3 LEU 85 35.426 23.865 6.800 689 HG LEU 85 HG LEU 85 33.110 22.147 7.732 690 HD11 LEU 85 HD11 LEU 85 33.885 23.149 9.717 691 HD12 LEU 85 HD12 LEU 85 32.681 24.299 9.134 692 HD13 LEU 85 HD13 LEU 85 34.398 24.617 8.883 693 HD21 LEU 85 HD21 LEU 85 33.388 24.742 6.213 694 HD22 LEU 85 HD22 LEU 85 31.907 24.351 7.086 695 HD23 LEU 85 HD23 LEU 85 32.458 23.310 5.774 696 H ASP 86 H ASP 86 36.930 20.648 6.683 697 HA ASP 86 HA ASP 86 39.073 21.791 5.244 698 HB2 ASP 86 HB2 ASP 86 38.776 19.040 6.470 699 HB3 ASP 86 HB3 ASP 86 40.292 19.705 5.867 700 H LEU 87 H LEU 87 37.029 18.958 4.607 701 HA LEU 87 HA LEU 87 38.248 18.114 2.217 702 HB2 LEU 87 HB2 LEU 87 36.538 16.821 3.489 703 HB3 LEU 87 HB3 LEU 87 35.312 17.968 2.946 704 HG LEU 87 HG LEU 87 36.021 17.420 0.565 705 HD11 LEU 87 HD11 LEU 87 37.590 15.357 2.112 706 HD12 LEU 87 HD12 LEU 87 38.159 16.434 0.838 707 HD13 LEU 87 HD13 LEU 87 37.103 15.078 0.441 708 HD21 LEU 87 HD21 LEU 87 34.601 15.504 0.464 709 HD22 LEU 87 HD22 LEU 87 34.026 16.441 1.843 710 HD23 LEU 87 HD23 LEU 87 35.028 15.012 2.103 711 H THR 88 H THR 88 35.690 20.498 2.838 712 HA THR 88 HA THR 88 35.069 21.136 0.173 713 HB THR 88 HB THR 88 35.086 23.024 2.540 714 HG1 THR 88 HG1 THR 88 33.330 22.044 3.127 715 HG21 THR 88 HG21 THR 88 34.764 23.978 0.223 716 HG22 THR 88 HG22 THR 88 33.403 24.233 1.315 717 HG23 THR 88 HG23 THR 88 33.321 22.974 0.083 718 H ASP 89 H ASP 89 37.486 22.483 2.395 719 HA ASP 89 HA ASP 89 38.534 24.446 0.668 720 HB2 ASP 89 HB2 ASP 89 39.859 22.902 2.906 721 HB3 ASP 89 HB3 ASP 89 40.545 24.328 2.129 722 H ALA 90 H ALA 90 39.287 21.012 1.059 723 HA ALA 90 HA ALA 90 41.662 20.919 -0.431 724 HB1 ALA 90 HB1 ALA 90 41.223 18.537 -0.669 725 HB2 ALA 90 HB2 ALA 90 39.530 18.779 -0.240 726 HB3 ALA 90 HB3 ALA 90 40.790 19.051 0.961 727 H VAL 91 H VAL 91 38.276 20.554 -1.462 728 HA VAL 91 HA VAL 91 38.829 20.046 -4.192 729 HB VAL 91 HB VAL 91 36.384 21.351 -2.960 730 HG11 VAL 91 HG11 VAL 91 36.525 21.623 -5.411 731 HG12 VAL 91 HG12 VAL 91 35.233 20.505 -4.970 732 HG13 VAL 91 HG13 VAL 91 36.764 19.884 -5.589 733 HG21 VAL 91 HG21 VAL 91 36.959 18.437 -3.593 734 HG22 VAL 91 HG22 VAL 91 35.455 19.076 -2.929 735 HG23 VAL 91 HG23 VAL 91 36.937 19.136 -1.975 736 H LEU 92 H LEU 92 38.177 23.035 -2.395 737 HA LEU 92 HA LEU 92 38.289 24.796 -4.609 738 HB2 LEU 92 HB2 LEU 92 38.872 25.326 -1.687 739 HB3 LEU 92 HB3 LEU 92 38.592 26.561 -2.915 740 HG LEU 92 HG LEU 92 36.601 24.383 -2.227 741 HD11 LEU 92 HD11 LEU 92 35.359 26.159 -1.051 742 HD12 LEU 92 HD12 LEU 92 36.661 27.300 -1.391 743 HD13 LEU 92 HD13 LEU 92 36.949 25.926 -0.323 744 HD21 LEU 92 HD21 LEU 92 36.101 25.128 -4.398 745 HD22 LEU 92 HD22 LEU 92 36.636 26.775 -4.056 746 HD23 LEU 92 HD23 LEU 92 35.108 26.189 -3.397 747 H ALA 93 H ALA 93 40.802 23.372 -2.610 748 HA ALA 93 HA ALA 93 42.879 25.174 -2.917 749 HB1 ALA 93 HB1 ALA 93 44.386 23.213 -2.644 750 HB2 ALA 93 HB2 ALA 93 42.992 22.151 -2.856 751 HB3 ALA 93 HB3 ALA 93 43.070 23.238 -1.469 752 H LYS 94 H LYS 94 44.513 25.497 -4.399 753 HA LYS 94 HA LYS 94 43.825 25.355 -7.114 754 HB2 LYS 94 HB2 LYS 94 45.480 26.941 -6.094 755 HB3 LYS 94 HB3 LYS 94 46.617 25.598 -5.965 756 HG2 LYS 94 HG2 LYS 94 47.184 26.666 -8.005 757 HG3 LYS 94 HG3 LYS 94 46.237 25.260 -8.489 758 HD2 LYS 94 HD2 LYS 94 44.234 26.635 -8.722 759 HD3 LYS 94 HD3 LYS 94 45.104 28.048 -8.124 760 HE2 LYS 94 HE2 LYS 94 46.750 27.538 -10.099 761 HE3 LYS 94 HE3 LYS 94 45.389 26.627 -10.756 762 HZ1 LYS 94 HZ1 LYS 94 44.718 29.248 -9.745 763 HZ2 LYS 94 HZ2 LYS 94 44.248 28.484 -11.188 764 HZ3 LYS 94 HZ3 LYS 94 45.754 29.263 -11.087 765 H GLU 95 H GLU 95 45.975 23.316 -5.161 766 HA GLU 95 HA GLU 95 45.757 21.223 -7.233 767 HB2 GLU 95 HB2 GLU 95 48.116 20.622 -6.846 768 HB3 GLU 95 HB3 GLU 95 47.963 22.263 -7.472 769 HG2 GLU 95 HG2 GLU 95 48.104 23.122 -5.130 770 HG3 GLU 95 HG3 GLU 95 48.391 21.474 -4.576 771 H LYS 96 H LYS 96 45.301 19.235 -6.463 772 HA LYS 96 HA LYS 96 45.608 18.730 -3.573 773 HB2 LYS 96 HB2 LYS 96 43.358 17.735 -3.503 774 HB3 LYS 96 HB3 LYS 96 43.297 19.448 -3.902 775 HG2 LYS 96 HG2 LYS 96 43.459 17.547 -6.202 776 HG3 LYS 96 HG3 LYS 96 41.952 17.571 -5.301 777 HD2 LYS 96 HD2 LYS 96 43.124 20.208 -6.060 778 HD3 LYS 96 HD3 LYS 96 42.426 19.235 -7.349 779 HE2 LYS 96 HE2 LYS 96 40.478 19.055 -5.396 780 HE3 LYS 96 HE3 LYS 96 41.095 20.690 -5.165 781 HZ1 LYS 96 HZ1 LYS 96 40.009 21.333 -6.954 782 HZ2 LYS 96 HZ2 LYS 96 39.380 19.768 -7.152 783 HZ3 LYS 96 HZ3 LYS 96 40.836 20.204 -7.912 784 H LYS 97 H LYS 97 45.786 16.525 -2.998 785 HA LYS 97 HA LYS 97 46.473 14.734 -5.236 786 HB2 LYS 97 HB2 LYS 97 47.016 14.478 -2.267 787 HB3 LYS 97 HB3 LYS 97 47.523 13.322 -3.498 788 HG2 LYS 97 HG2 LYS 97 48.269 16.232 -3.712 789 HG3 LYS 97 HG3 LYS 97 49.237 15.120 -2.745 790 HD2 LYS 97 HD2 LYS 97 48.505 14.329 -5.548 791 HD3 LYS 97 HD3 LYS 97 49.796 15.503 -5.307 792 HE2 LYS 97 HE2 LYS 97 49.676 12.767 -4.008 793 HE3 LYS 97 HE3 LYS 97 50.665 13.181 -5.408 794 HZ1 LYS 97 HZ1 LYS 97 51.107 13.741 -2.631 795 HZ2 LYS 97 HZ2 LYS 97 51.267 15.120 -3.610 796 HZ3 LYS 97 HZ3 LYS 97 52.206 13.738 -3.923 797 H GLY 98 H GLY 98 45.400 12.844 -5.599 798 HA2 GLY 98 HA2 GLY 98 42.697 12.664 -4.921 799 HA3 GLY 98 HA3 GLY 98 43.660 11.338 -5.566 800 H GLU 99 H GLU 99 45.530 11.177 -3.405 801 HA GLU 99 HA GLU 99 44.082 9.414 -1.711 802 HB2 GLU 99 HB2 GLU 99 46.872 10.551 -1.449 803 HB3 GLU 99 HB3 GLU 99 46.220 9.245 -0.456 804 HG2 GLU 99 HG2 GLU 99 45.785 7.932 -2.526 805 HG3 GLU 99 HG3 GLU 99 46.532 9.213 -3.471 806 H ASP 100 H ASP 100 45.247 12.734 -1.309 807 HA ASP 100 HA ASP 100 44.853 12.958 1.463 808 HB2 ASP 100 HB2 ASP 100 44.709 15.037 -0.725 809 HB3 ASP 100 HB3 ASP 100 44.639 15.423 0.991 810 H ILE 101 H ILE 101 42.624 13.479 -1.244 811 HA ILE 101 HA ILE 101 40.482 14.527 0.273 812 HB ILE 101 HB ILE 101 40.364 12.927 -2.301 813 HG12 ILE 101 HG12 ILE 101 40.475 15.930 -1.884 814 HG13 ILE 101 HG13 ILE 101 41.862 14.948 -2.353 815 HG21 ILE 101 HG21 ILE 101 38.424 14.977 -1.189 816 HG22 ILE 101 HG22 ILE 101 38.192 13.232 -1.056 817 HG23 ILE 101 HG23 ILE 101 38.219 14.001 -2.644 818 HD11 ILE 101 HD11 ILE 101 40.378 14.110 -4.292 819 HD12 ILE 101 HD12 ILE 101 41.007 15.753 -4.408 820 HD13 ILE 101 HD13 ILE 101 39.336 15.481 -3.915 821 H LEU 102 H LEU 102 41.277 11.207 -0.722 822 HA LEU 102 HA LEU 102 38.972 9.978 0.344 823 HB2 LEU 102 HB2 LEU 102 41.739 8.807 -0.036 824 HB3 LEU 102 HB3 LEU 102 40.248 7.890 0.180 825 HG LEU 102 HG LEU 102 40.745 9.842 -2.087 826 HD11 LEU 102 HD11 LEU 102 40.632 6.823 -2.235 827 HD12 LEU 102 HD12 LEU 102 42.150 7.706 -2.069 828 HD13 LEU 102 HD13 LEU 102 41.138 7.951 -3.493 829 HD21 LEU 102 HD21 LEU 102 38.728 8.519 -3.009 830 HD22 LEU 102 HD22 LEU 102 38.401 9.684 -1.727 831 HD23 LEU 102 HD23 LEU 102 38.495 7.963 -1.352 832 H ASN 103 H ASN 103 42.125 10.722 1.781 833 HA ASN 103 HA ASN 103 41.843 9.267 4.163 834 HB2 ASN 103 HB2 ASN 103 43.290 11.872 3.642 835 HB3 ASN 103 HB3 ASN 103 43.467 10.908 5.107 836 HD21 ASN 103 HD21 ASN 103 45.650 11.447 3.265 837 HD22 ASN 103 HD22 ASN 103 46.128 9.961 2.598 838 H MET 104 H MET 104 40.811 12.560 3.328 839 HA MET 104 HA MET 104 39.798 13.238 5.885 840 HB2 MET 104 HB2 MET 104 39.063 14.236 3.126 841 HB3 MET 104 HB3 MET 104 38.479 14.956 4.627 842 HG2 MET 104 HG2 MET 104 40.843 15.313 5.335 843 HG3 MET 104 HG3 MET 104 41.376 14.692 3.774 844 HE1 MET 104 HE1 MET 104 42.735 16.665 3.421 845 HE2 MET 104 HE2 MET 104 42.242 17.635 4.806 846 HE3 MET 104 HE3 MET 104 42.194 18.332 3.189 847 H VAL 105 H VAL 105 38.329 11.685 3.060 848 HA VAL 105 HA VAL 105 35.681 11.610 4.042 849 HB VAL 105 HB VAL 105 37.064 9.722 2.116 850 HG11 VAL 105 HG11 VAL 105 34.993 8.732 2.902 851 HG12 VAL 105 HG12 VAL 105 34.713 9.372 1.282 852 HG13 VAL 105 HG13 VAL 105 34.134 10.258 2.693 853 HG21 VAL 105 HG21 VAL 105 35.261 12.058 1.461 854 HG22 VAL 105 HG22 VAL 105 36.330 11.168 0.378 855 HG23 VAL 105 HG23 VAL 105 37.008 12.247 1.594 856 H ALA 106 H ALA 106 38.416 9.382 4.384 857 HA ALA 106 HA ALA 106 37.058 7.252 5.609 858 HB1 ALA 106 HB1 ALA 106 39.162 6.399 6.125 859 HB2 ALA 106 HB2 ALA 106 39.851 7.997 6.413 860 HB3 ALA 106 HB3 ALA 106 39.525 7.460 4.765 861 H GLU 107 H GLU 107 38.481 10.197 6.984 862 HA GLU 107 HA GLU 107 38.151 9.528 9.704 863 HB2 GLU 107 HB2 GLU 107 38.148 12.232 8.345 864 HB3 GLU 107 HB3 GLU 107 38.257 11.984 10.088 865 HG2 GLU 107 HG2 GLU 107 40.204 10.883 8.044 866 HG3 GLU 107 HG3 GLU 107 40.492 12.290 9.060 867 H ILE 108 H ILE 108 35.956 11.035 7.365 868 HA ILE 108 HA ILE 108 33.893 11.763 9.119 869 HB ILE 108 HB ILE 108 33.678 10.782 6.257 870 HG12 ILE 108 HG12 ILE 108 33.886 13.604 7.347 871 HG13 ILE 108 HG13 ILE 108 35.240 12.712 6.653 872 HG21 ILE 108 HG21 ILE 108 31.582 12.155 6.249 873 HG22 ILE 108 HG22 ILE 108 31.789 12.421 7.979 874 HG23 ILE 108 HG23 ILE 108 31.504 10.794 7.362 875 HD11 ILE 108 HD11 ILE 108 34.341 14.068 4.887 876 HD12 ILE 108 HD12 ILE 108 32.693 13.567 5.266 877 HD13 ILE 108 HD13 ILE 108 33.821 12.413 4.563 878 H LYS 109 H LYS 109 34.508 8.711 7.415 879 HA LYS 109 HA LYS 109 32.212 7.338 8.333 880 HB2 LYS 109 HB2 LYS 109 34.910 6.302 7.435 881 HB3 LYS 109 HB3 LYS 109 33.485 5.294 7.690 882 HG2 LYS 109 HG2 LYS 109 32.258 6.486 5.974 883 HG3 LYS 109 HG3 LYS 109 33.565 7.658 5.796 884 HD2 LYS 109 HD2 LYS 109 33.793 6.086 3.993 885 HD3 LYS 109 HD3 LYS 109 35.074 5.727 5.151 886 HE2 LYS 109 HE2 LYS 109 33.709 3.921 6.118 887 HE3 LYS 109 HE3 LYS 109 32.413 4.283 4.979 888 HZ1 LYS 109 HZ1 LYS 109 35.010 3.872 3.779 889 HZ2 LYS 109 HZ2 LYS 109 33.488 3.283 3.309 890 HZ3 LYS 109 HZ3 LYS 109 34.362 2.500 4.537 891 H ALA 110 H ALA 110 35.462 7.710 9.681 892 HA ALA 110 HA ALA 110 35.266 5.701 11.661 893 HB1 ALA 110 HB1 ALA 110 37.274 6.538 12.496 894 HB2 ALA 110 HB2 ALA 110 36.877 8.201 12.064 895 HB3 ALA 110 HB3 ALA 110 37.332 7.049 10.809 896 H LEU 111 H LEU 111 34.546 9.175 11.736 897 HA LEU 111 HA LEU 111 33.862 9.299 14.491 898 HB2 LEU 111 HB2 LEU 111 32.955 11.032 12.179 899 HB3 LEU 111 HB3 LEU 111 32.795 11.438 13.889 900 HG LEU 111 HG LEU 111 35.443 10.843 12.544 901 HD11 LEU 111 HD11 LEU 111 34.640 12.867 11.552 902 HD12 LEU 111 HD12 LEU 111 35.752 13.361 12.828 903 HD13 LEU 111 HD13 LEU 111 34.010 13.451 13.093 904 HD21 LEU 111 HD21 LEU 111 36.139 12.196 14.684 905 HD22 LEU 111 HD22 LEU 111 35.731 10.489 14.844 906 HD23 LEU 111 HD23 LEU 111 34.549 11.722 15.279 907 H LEU 112 H LEU 112 32.011 8.642 11.564 908 HA LEU 112 HA LEU 112 29.454 8.984 12.791 909 HB2 LEU 112 HB2 LEU 112 30.331 7.794 10.168 910 HB3 LEU 112 HB3 LEU 112 28.649 7.935 10.673 911 HG LEU 112 HG LEU 112 30.533 10.296 10.635 912 HD11 LEU 112 HD11 LEU 112 29.722 10.890 8.464 913 HD12 LEU 112 HD12 LEU 112 28.523 9.601 8.481 914 HD13 LEU 112 HD13 LEU 112 30.236 9.207 8.357 915 HD21 LEU 112 HD21 LEU 112 27.596 9.855 11.067 916 HD22 LEU 112 HD22 LEU 112 28.118 11.364 10.319 917 HD23 LEU 112 HD23 LEU 112 28.708 10.925 11.921 918 H ILE 113 H ILE 113 31.355 6.097 11.876 919 HA ILE 113 HA ILE 113 29.350 4.222 12.423 920 HB ILE 113 HB ILE 113 31.446 3.672 11.243 921 HG12 ILE 113 HG12 ILE 113 31.240 1.976 13.736 922 HG13 ILE 113 HG13 ILE 113 30.000 1.952 12.480 923 HG21 ILE 113 HG21 ILE 113 32.815 5.025 13.024 924 HG22 ILE 113 HG22 ILE 113 33.539 3.607 12.267 925 HG23 ILE 113 HG23 ILE 113 32.855 3.490 13.889 926 HD11 ILE 113 HD11 ILE 113 32.912 1.179 12.231 927 HD12 ILE 113 HD12 ILE 113 31.897 1.491 10.823 928 HD13 ILE 113 HD13 ILE 113 31.492 0.177 11.928 929 H ASN 114 H ASN 114 31.496 5.955 14.614 930 HA ASN 114 HA ASN 114 31.170 4.419 16.937 931 HB2 ASN 114 HB2 ASN 114 32.717 6.393 16.605 932 HB3 ASN 114 HB3 ASN 114 31.316 7.436 16.823 933 HD21 ASN 114 HD21 ASN 114 33.118 7.949 18.693 934 HD22 ASN 114 HD22 ASN 114 32.780 7.194 20.175 935 H ILE 115 H ILE 115 29.173 7.054 15.611 936 HA ILE 115 HA ILE 115 27.194 6.701 17.708 937 HB ILE 115 HB ILE 115 25.984 8.522 16.606 938 HG12 ILE 115 HG12 ILE 115 28.256 8.564 14.611 939 HG13 ILE 115 HG13 ILE 115 26.698 7.813 14.265 940 HG21 ILE 115 HG21 ILE 115 28.968 8.949 16.927 941 HG22 ILE 115 HG22 ILE 115 27.741 9.110 18.183 942 HG23 ILE 115 HG23 ILE 115 27.779 10.249 16.837 943 HD11 ILE 115 HD11 ILE 115 26.291 9.928 13.435 944 HD12 ILE 115 HD12 ILE 115 27.399 10.701 14.568 945 HD13 ILE 115 HD13 ILE 115 25.800 10.190 15.108 946 H TYR 116 H TYR 116 27.772 5.137 14.755 947 HA TYR 116 HA TYR 116 25.198 4.697 13.747 948 HB2 TYR 116 HB2 TYR 116 27.194 4.002 12.554 949 HB3 TYR 116 HB3 TYR 116 27.601 2.871 13.828 950 HD1 TYR 116 HD1 TYR 116 24.753 3.639 11.496 951 HD2 TYR 116 HD2 TYR 116 27.089 0.643 13.500 952 HE1 TYR 116 HE1 TYR 116 23.486 1.860 10.318 953 HE2 TYR 116 HE2 TYR 116 25.823 -1.134 12.323 954 HH TYR 116 HH TYR 116 24.424 -1.122 9.989 955 H LYS 117 H LYS 117 26.969 3.053 16.344 956 HA LYS 117 HA LYS 117 24.612 2.324 17.737 957 HB2 LYS 117 HB2 LYS 117 24.429 0.735 15.816 958 HB3 LYS 117 HB3 LYS 117 25.973 0.033 16.300 959 HG2 LYS 117 HG2 LYS 117 25.015 -0.480 18.535 960 HG3 LYS 117 HG3 LYS 117 23.459 0.149 17.990 961 HD2 LYS 117 HD2 LYS 117 23.503 -1.533 16.125 962 HD3 LYS 117 HD3 LYS 117 24.956 -2.226 16.847 963 HE2 LYS 117 HE2 LYS 117 22.470 -1.852 18.502 964 HE3 LYS 117 HE3 LYS 117 22.645 -3.266 17.463 965 HZ1 LYS 117 HZ1 LYS 117 24.853 -3.609 18.567 966 HZ2 LYS 117 HZ2 LYS 117 23.498 -3.858 19.561 967 HZ3 LYS 117 HZ3 LYS 117 24.402 -2.425 19.696 Start of MODEL 10 1 H GLU 1 H GLU 1 -3.333 -6.689 11.937 2 HA GLU 1 HA GLU 1 -1.278 -5.248 12.003 3 HB2 GLU 1 HB2 GLU 1 -3.919 -3.777 12.171 4 HB3 GLU 1 HB3 GLU 1 -2.408 -3.076 11.593 5 HG2 GLU 1 HG2 GLU 1 -2.289 -4.842 9.845 6 HG3 GLU 1 HG3 GLU 1 -3.844 -5.458 10.389 7 H ALA 2 H ALA 2 -0.449 -3.215 13.005 8 HA ALA 2 HA ALA 2 -1.268 -2.784 15.781 9 HB1 ALA 2 HB1 ALA 2 1.360 -3.944 14.925 10 HB2 ALA 2 HB2 ALA 2 0.343 -4.374 16.300 11 HB3 ALA 2 HB3 ALA 2 1.293 -2.890 16.337 12 H ALA 3 H ALA 3 -0.240 -0.881 16.732 13 HA ALA 3 HA ALA 3 -0.298 1.358 15.054 14 HB1 ALA 3 HB1 ALA 3 0.958 2.456 17.033 15 HB2 ALA 3 HB2 ALA 3 0.791 0.887 17.820 16 HB3 ALA 3 HB3 ALA 3 -0.645 1.789 17.337 17 H ALA 4 H ALA 4 1.489 2.879 14.625 18 HA ALA 4 HA ALA 4 3.518 1.732 13.099 19 HB1 ALA 4 HB1 ALA 4 3.440 4.461 14.406 20 HB2 ALA 4 HB2 ALA 4 2.837 4.050 12.801 21 HB3 ALA 4 HB3 ALA 4 4.566 3.980 13.137 22 H ALA 5 H ALA 5 5.744 1.475 13.414 23 HA ALA 5 HA ALA 5 6.532 0.285 15.809 24 HB1 ALA 5 HB1 ALA 5 8.050 1.389 13.464 25 HB2 ALA 5 HB2 ALA 5 7.819 -0.292 13.944 26 HB3 ALA 5 HB3 ALA 5 8.906 0.747 14.866 27 H ALA 6 H ALA 6 8.128 0.949 17.363 28 HA ALA 6 HA ALA 6 7.563 3.346 18.653 29 HB1 ALA 6 HB1 ALA 6 8.622 1.504 19.818 30 HB2 ALA 6 HB2 ALA 6 9.666 2.921 19.928 31 HB3 ALA 6 HB3 ALA 6 10.051 1.629 18.791 32 H ARG 7 H ARG 7 8.681 5.307 18.869 33 HA ARG 7 HA ARG 7 9.530 6.517 16.509 34 HB2 ARG 7 HB2 ARG 7 8.733 7.710 18.549 35 HB3 ARG 7 HB3 ARG 7 10.276 7.347 19.323 36 HG2 ARG 7 HG2 ARG 7 11.453 8.539 17.490 37 HG3 ARG 7 HG3 ARG 7 9.892 8.954 16.779 38 HD2 ARG 7 HD2 ARG 7 9.275 10.098 18.912 39 HD3 ARG 7 HD3 ARG 7 10.897 9.775 19.517 40 HE ARG 7 HE ARG 7 10.947 11.117 16.985 41 HH11 ARG 7 HH11 ARG 7 10.529 11.690 20.423 42 HH12 ARG 7 HH12 ARG 7 11.056 13.336 20.314 43 HH21 ARG 7 HH21 ARG 7 11.614 13.241 16.905 44 HH22 ARG 7 HH22 ARG 7 11.662 14.203 18.345 45 H ASP 8 H ASP 8 11.455 5.072 19.122 46 HA ASP 8 HA ASP 8 13.982 5.815 18.060 47 HB2 ASP 8 HB2 ASP 8 14.911 4.198 19.626 48 HB3 ASP 8 HB3 ASP 8 13.651 5.147 20.410 49 H GLU 9 H GLU 9 11.929 2.968 17.631 50 HA GLU 9 HA GLU 9 13.831 1.402 16.222 51 HB2 GLU 9 HB2 GLU 9 11.740 0.516 17.272 52 HB3 GLU 9 HB3 GLU 9 10.816 1.290 15.983 53 HG2 GLU 9 HG2 GLU 9 12.140 0.007 14.309 54 HG3 GLU 9 HG3 GLU 9 12.964 -0.817 15.626 55 H SER 10 H SER 10 11.322 3.673 15.165 56 HA SER 10 HA SER 10 11.623 3.226 12.385 57 HB2 SER 10 HB2 SER 10 10.364 5.273 12.103 58 HB3 SER 10 HB3 SER 10 9.679 4.369 13.449 59 HG SER 10 HG SER 10 10.437 5.853 14.760 60 H ALA 11 H ALA 11 13.263 5.399 14.641 61 HA ALA 11 HA ALA 11 14.591 6.967 12.682 62 HB1 ALA 11 HB1 ALA 11 14.313 7.604 15.088 63 HB2 ALA 11 HB2 ALA 11 15.970 7.754 14.504 64 HB3 ALA 11 HB3 ALA 11 15.508 6.376 15.505 65 H TYR 12 H TYR 12 15.526 4.053 14.484 66 HA TYR 12 HA TYR 12 18.185 3.898 13.590 67 HB2 TYR 12 HB2 TYR 12 17.238 2.560 15.446 68 HB3 TYR 12 HB3 TYR 12 16.317 1.627 14.282 69 HD1 TYR 12 HD1 TYR 12 17.330 -0.154 13.040 70 HD2 TYR 12 HD2 TYR 12 19.738 2.451 15.462 71 HE1 TYR 12 HE1 TYR 12 19.261 -1.685 12.767 72 HE2 TYR 12 HE2 TYR 12 21.669 0.919 15.189 73 HH TYR 12 HH TYR 12 22.412 -0.878 14.016 74 H LEU 13 H LEU 13 15.187 2.588 12.216 75 HA LEU 13 HA LEU 13 16.355 1.154 10.089 76 HB2 LEU 13 HB2 LEU 13 13.985 0.931 10.819 77 HB3 LEU 13 HB3 LEU 13 13.657 2.523 10.133 78 HG LEU 13 HG LEU 13 14.541 1.627 7.922 79 HD11 LEU 13 HD11 LEU 13 15.778 -0.289 8.486 80 HD12 LEU 13 HD12 LEU 13 14.277 -0.967 7.855 81 HD13 LEU 13 HD13 LEU 13 14.539 -0.876 9.596 82 HD21 LEU 13 HD21 LEU 13 12.141 1.868 8.327 83 HD22 LEU 13 HD22 LEU 13 12.104 0.324 9.176 84 HD23 LEU 13 HD23 LEU 13 12.436 0.370 7.445 85 H LYS 14 H LYS 14 15.313 4.533 10.368 86 HA LYS 14 HA LYS 14 15.604 5.245 7.668 87 HB2 LYS 14 HB2 LYS 14 14.501 6.639 9.443 88 HB3 LYS 14 HB3 LYS 14 16.107 7.032 10.059 89 HG2 LYS 14 HG2 LYS 14 15.582 8.831 8.611 90 HG3 LYS 14 HG3 LYS 14 16.649 7.800 7.659 91 HD2 LYS 14 HD2 LYS 14 14.714 6.774 6.552 92 HD3 LYS 14 HD3 LYS 14 13.619 7.746 7.535 93 HE2 LYS 14 HE2 LYS 14 14.877 9.787 6.578 94 HE3 LYS 14 HE3 LYS 14 15.511 8.663 5.374 95 HZ1 LYS 14 HZ1 LYS 14 13.558 9.597 4.474 96 HZ2 LYS 14 HZ2 LYS 14 12.675 9.342 5.903 97 HZ3 LYS 14 HZ3 LYS 14 13.146 8.020 4.945 98 H LEU 15 H LEU 15 17.944 5.177 10.326 99 HA LEU 15 HA LEU 15 20.070 6.465 9.007 100 HB2 LEU 15 HB2 LEU 15 20.171 4.300 11.122 101 HB3 LEU 15 HB3 LEU 15 21.522 5.332 10.654 102 HG LEU 15 HG LEU 15 18.883 6.366 11.731 103 HD11 LEU 15 HD11 LEU 15 20.174 5.062 13.418 104 HD12 LEU 15 HD12 LEU 15 20.098 6.779 13.815 105 HD13 LEU 15 HD13 LEU 15 21.569 6.099 13.118 106 HD21 LEU 15 HD21 LEU 15 19.839 8.119 10.500 107 HD22 LEU 15 HD22 LEU 15 21.485 7.610 10.871 108 HD23 LEU 15 HD23 LEU 15 20.504 8.393 12.110 109 H GLN 16 H GLN 16 19.065 3.064 9.050 110 HA GLN 16 HA GLN 16 21.282 1.988 7.690 111 HB2 GLN 16 HB2 GLN 16 18.385 1.112 7.682 112 HB3 GLN 16 HB3 GLN 16 19.722 0.155 7.041 113 HG2 GLN 16 HG2 GLN 16 20.799 0.133 9.237 114 HG3 GLN 16 HG3 GLN 16 19.529 1.160 9.893 115 HE21 GLN 16 HE21 GLN 16 20.072 -1.420 10.998 116 HE22 GLN 16 HE22 GLN 16 18.741 -2.426 10.684 117 H GLU 17 H GLU 17 18.262 3.406 6.476 118 HA GLU 17 HA GLU 17 18.886 2.999 3.722 119 HB2 GLU 17 HB2 GLU 17 16.984 4.935 5.061 120 HB3 GLU 17 HB3 GLU 17 17.076 4.661 3.320 121 HG2 GLU 17 HG2 GLU 17 16.619 2.246 3.706 122 HG3 GLU 17 HG3 GLU 17 16.439 2.573 5.424 123 H GLN 18 H GLN 18 19.372 5.697 5.988 124 HA GLN 18 HA GLN 18 20.430 7.532 4.125 125 HB2 GLN 18 HB2 GLN 18 20.862 7.188 7.092 126 HB3 GLN 18 HB3 GLN 18 21.651 8.465 6.174 127 HG2 GLN 18 HG2 GLN 18 18.654 8.032 6.355 128 HG3 GLN 18 HG3 GLN 18 19.565 9.259 7.231 129 HE21 GLN 18 HE21 GLN 18 17.543 9.102 4.703 130 HE22 GLN 18 HE22 GLN 18 18.227 10.265 3.674 131 H MET 19 H MET 19 21.993 4.976 6.046 132 HA MET 19 HA MET 19 24.619 5.866 5.806 133 HB2 MET 19 HB2 MET 19 23.741 3.977 7.270 134 HB3 MET 19 HB3 MET 19 23.874 2.945 5.843 135 HG2 MET 19 HG2 MET 19 26.270 3.614 5.633 136 HG3 MET 19 HG3 MET 19 26.119 4.522 7.135 137 HE1 MET 19 HE1 MET 19 25.353 1.067 5.509 138 HE2 MET 19 HE2 MET 19 26.405 0.030 6.469 139 HE3 MET 19 HE3 MET 19 27.100 1.343 5.521 140 H ARG 20 H ARG 20 22.804 3.690 3.657 141 HA ARG 20 HA ARG 20 24.901 3.088 1.891 142 HB2 ARG 20 HB2 ARG 20 22.683 1.951 1.920 143 HB3 ARG 20 HB3 ARG 20 21.975 3.390 1.184 144 HG2 ARG 20 HG2 ARG 20 23.531 3.166 -0.730 145 HG3 ARG 20 HG3 ARG 20 24.197 1.702 -0.004 146 HD2 ARG 20 HD2 ARG 20 21.911 0.692 -0.059 147 HD3 ARG 20 HD3 ARG 20 21.337 2.121 -0.914 148 HE ARG 20 HE ARG 20 22.309 1.292 -2.835 149 HH11 ARG 20 HH11 ARG 20 23.736 -0.384 -0.101 150 HH12 ARG 20 HH12 ARG 20 24.642 -1.464 -1.108 151 HH21 ARG 20 HH21 ARG 20 23.496 -0.128 -4.080 152 HH22 ARG 20 HH22 ARG 20 24.504 -1.321 -3.333 153 H LYS 21 H LYS 21 22.717 5.866 2.030 154 HA LYS 21 HA LYS 21 23.294 6.969 -0.488 155 HB2 LYS 21 HB2 LYS 21 21.441 7.683 1.047 156 HB3 LYS 21 HB3 LYS 21 22.649 8.495 2.044 157 HG2 LYS 21 HG2 LYS 21 21.818 10.190 0.607 158 HG3 LYS 21 HG3 LYS 21 23.357 9.714 -0.111 159 HD2 LYS 21 HD2 LYS 21 22.210 8.275 -1.715 160 HD3 LYS 21 HD3 LYS 21 20.656 8.625 -0.957 161 HE2 LYS 21 HE2 LYS 21 20.800 10.056 -2.870 162 HE3 LYS 21 HE3 LYS 21 21.102 11.080 -1.466 163 HZ1 LYS 21 HZ1 LYS 21 22.679 11.195 -3.491 164 HZ2 LYS 21 HZ2 LYS 21 23.353 9.778 -2.840 165 HZ3 LYS 21 HZ3 LYS 21 23.336 11.210 -1.927 166 H ILE 22 H ILE 22 24.787 7.631 2.698 167 HA ILE 22 HA ILE 22 26.782 9.382 1.683 168 HB ILE 22 HB ILE 22 26.946 7.650 4.162 169 HG12 ILE 22 HG12 ILE 22 26.245 10.155 5.053 170 HG13 ILE 22 HG13 ILE 22 25.366 10.104 3.534 171 HG21 ILE 22 HG21 ILE 22 29.025 8.908 3.186 172 HG22 ILE 22 HG22 ILE 22 28.655 9.065 4.899 173 HG23 ILE 22 HG23 ILE 22 28.211 10.352 3.784 174 HD11 ILE 22 HD11 ILE 22 24.843 7.603 4.654 175 HD12 ILE 22 HD12 ILE 22 23.771 9.001 4.680 176 HD13 ILE 22 HD13 ILE 22 24.850 8.695 6.038 177 H ASP 23 H ASP 23 26.701 5.874 2.242 178 HA ASP 23 HA ASP 23 29.385 5.313 1.639 179 HB2 ASP 23 HB2 ASP 23 27.736 3.692 2.602 180 HB3 ASP 23 HB3 ASP 23 27.000 3.563 1.005 181 H ALA 24 H ALA 24 26.544 5.622 -0.465 182 HA ALA 24 HA ALA 24 27.894 4.915 -2.872 183 HB1 ALA 24 HB1 ALA 24 25.556 4.748 -2.984 184 HB2 ALA 24 HB2 ALA 24 25.900 6.215 -3.902 185 HB3 ALA 24 HB3 ALA 24 25.314 6.330 -2.242 186 H ASP 25 H ASP 25 27.009 8.043 -1.424 187 HA ASP 25 HA ASP 25 28.153 9.686 -3.403 188 HB2 ASP 25 HB2 ASP 25 27.726 10.187 -0.450 189 HB3 ASP 25 HB3 ASP 25 28.159 11.429 -1.624 190 H ALA 26 H ALA 26 29.535 8.192 -0.511 191 HA ALA 26 HA ALA 26 31.988 9.540 -0.445 192 HB1 ALA 26 HB1 ALA 26 31.597 8.230 1.432 193 HB2 ALA 26 HB2 ALA 26 32.774 7.249 0.557 194 HB3 ALA 26 HB3 ALA 26 31.060 6.845 0.481 195 H ALA 27 H ALA 27 30.950 6.745 -2.360 196 HA ALA 27 HA ALA 27 33.454 6.021 -3.414 197 HB1 ALA 27 HB1 ALA 27 32.208 4.908 -5.172 198 HB2 ALA 27 HB2 ALA 27 30.772 5.865 -4.809 199 HB3 ALA 27 HB3 ALA 27 31.362 4.681 -3.642 200 H ALA 28 H ALA 28 31.085 8.445 -4.470 201 HA ALA 28 HA ALA 28 32.410 9.210 -6.850 202 HB1 ALA 28 HB1 ALA 28 30.342 10.409 -5.069 203 HB2 ALA 28 HB2 ALA 28 30.287 10.086 -6.802 204 HB3 ALA 28 HB3 ALA 28 31.167 11.488 -6.194 205 H LEU 29 H LEU 29 32.624 10.418 -3.510 206 HA LEU 29 HA LEU 29 34.577 12.405 -4.021 207 HB2 LEU 29 HB2 LEU 29 33.641 10.934 -1.581 208 HB3 LEU 29 HB3 LEU 29 35.108 11.897 -1.484 209 HG LEU 29 HG LEU 29 33.075 13.143 -0.781 210 HD11 LEU 29 HD11 LEU 29 33.690 15.159 -1.807 211 HD12 LEU 29 HD12 LEU 29 34.077 14.372 -3.337 212 HD13 LEU 29 HD13 LEU 29 35.145 14.173 -1.949 213 HD21 LEU 29 HD21 LEU 29 31.460 12.088 -2.326 214 HD22 LEU 29 HD22 LEU 29 32.258 12.873 -3.690 215 HD23 LEU 29 HD23 LEU 29 31.434 13.845 -2.471 216 H SER 30 H SER 30 34.818 8.963 -3.239 217 HA SER 30 HA SER 30 37.564 8.799 -2.755 218 HB2 SER 30 HB2 SER 30 35.835 6.735 -4.137 219 HB3 SER 30 HB3 SER 30 37.370 6.441 -3.329 220 HG SER 30 HG SER 30 36.184 6.273 -1.623 221 H GLU 31 H GLU 31 35.819 8.989 -5.820 222 HA GLU 31 HA GLU 31 37.858 8.283 -7.589 223 HB2 GLU 31 HB2 GLU 31 35.692 10.373 -7.887 224 HB3 GLU 31 HB3 GLU 31 36.702 9.793 -9.208 225 HG2 GLU 31 HG2 GLU 31 34.815 8.118 -7.525 226 HG3 GLU 31 HG3 GLU 31 34.567 8.597 -9.200 227 H THR 32 H THR 32 37.473 11.199 -5.701 228 HA THR 32 HA THR 32 38.968 12.804 -5.137 229 HB THR 32 HB THR 32 41.260 12.594 -5.458 230 HG1 THR 32 HG1 THR 32 41.288 10.777 -7.452 231 HG21 THR 32 HG21 THR 32 41.777 10.455 -4.728 232 HG22 THR 32 HG22 THR 32 40.607 9.690 -5.799 233 HG23 THR 32 HG23 THR 32 40.054 10.545 -4.357 234 H ARG 33 H ARG 33 37.167 13.082 -7.414 235 HA ARG 33 HA ARG 33 38.612 15.235 -8.816 236 HB2 ARG 33 HB2 ARG 33 36.865 13.167 -10.175 237 HB3 ARG 33 HB3 ARG 33 37.635 14.545 -10.959 238 HG2 ARG 33 HG2 ARG 33 39.173 12.390 -9.488 239 HG3 ARG 33 HG3 ARG 33 38.871 12.353 -11.223 240 HD2 ARG 33 HD2 ARG 33 39.987 14.568 -11.435 241 HD3 ARG 33 HD3 ARG 33 40.363 14.521 -9.717 242 HE ARG 33 HE ARG 33 42.119 13.126 -10.224 243 HH11 ARG 33 HH11 ARG 33 39.800 12.888 -12.849 244 HH12 ARG 33 HH12 ARG 33 40.795 11.805 -13.762 245 HH21 ARG 33 HH21 ARG 33 43.355 11.730 -11.444 246 HH22 ARG 33 HH22 ARG 33 42.783 11.157 -12.976 247 H THR 34 H THR 34 35.372 13.719 -8.847 248 HA THR 34 HA THR 34 33.974 15.980 -9.631 249 HB THR 34 HB THR 34 32.967 13.767 -9.652 250 HG1 THR 34 HG1 THR 34 31.019 14.412 -8.745 251 HG21 THR 34 HG21 THR 34 33.975 12.856 -7.621 252 HG22 THR 34 HG22 THR 34 32.219 12.738 -7.516 253 HG23 THR 34 HG23 THR 34 33.072 14.002 -6.631 254 H ILE 35 H ILE 35 32.862 17.594 -8.605 255 HA ILE 35 HA ILE 35 33.275 17.916 -5.708 256 HB ILE 35 HB ILE 35 33.923 20.175 -5.873 257 HG12 ILE 35 HG12 ILE 35 32.546 20.924 -7.751 258 HG13 ILE 35 HG13 ILE 35 34.220 21.403 -7.972 259 HG21 ILE 35 HG21 ILE 35 35.530 18.766 -7.999 260 HG22 ILE 35 HG22 ILE 35 35.656 18.398 -6.278 261 HG23 ILE 35 HG23 ILE 35 36.076 20.006 -6.869 262 HD11 ILE 35 HD11 ILE 35 33.630 20.622 -10.093 263 HD12 ILE 35 HD12 ILE 35 32.633 19.322 -9.452 264 HD13 ILE 35 HD13 ILE 35 34.390 19.195 -9.395 265 H GLU 36 H GLU 36 31.222 18.402 -8.476 266 HA GLU 36 HA GLU 36 29.398 20.253 -7.403 267 HB2 GLU 36 HB2 GLU 36 28.938 18.004 -9.374 268 HB3 GLU 36 HB3 GLU 36 27.799 19.313 -9.055 269 HG2 GLU 36 HG2 GLU 36 29.554 20.956 -9.699 270 HG3 GLU 36 HG3 GLU 36 30.627 19.622 -10.100 271 H GLU 37 H GLU 37 29.619 16.741 -7.049 272 HA GLU 37 HA GLU 37 27.145 16.274 -5.808 273 HB2 GLU 37 HB2 GLU 37 29.800 14.877 -5.419 274 HB3 GLU 37 HB3 GLU 37 28.242 14.256 -4.869 275 HG2 GLU 37 HG2 GLU 37 28.947 14.908 -7.744 276 HG3 GLU 37 HG3 GLU 37 28.898 13.289 -7.056 277 H LEU 38 H LEU 38 30.124 17.617 -4.523 278 HA LEU 38 HA LEU 38 29.855 17.135 -1.808 279 HB2 LEU 38 HB2 LEU 38 31.804 18.222 -2.935 280 HB3 LEU 38 HB3 LEU 38 30.852 19.698 -3.072 281 HG LEU 38 HG LEU 38 30.528 19.479 -0.505 282 HD11 LEU 38 HD11 LEU 38 32.239 18.241 0.672 283 HD12 LEU 38 HD12 LEU 38 33.038 17.816 -0.841 284 HD13 LEU 38 HD13 LEU 38 31.458 17.134 -0.455 285 HD21 LEU 38 HD21 LEU 38 33.388 20.013 -1.252 286 HD22 LEU 38 HD22 LEU 38 32.322 20.931 -0.188 287 HD23 LEU 38 HD23 LEU 38 32.119 21.028 -1.936 288 H ASP 39 H ASP 39 28.340 19.685 -3.763 289 HA ASP 39 HA ASP 39 27.252 21.202 -1.667 290 HB2 ASP 39 HB2 ASP 39 26.207 20.728 -4.467 291 HB3 ASP 39 HB3 ASP 39 25.600 21.967 -3.371 292 H THR 40 H THR 40 25.922 18.422 -3.434 293 HA THR 40 HA THR 40 23.521 18.339 -1.835 294 HB THR 40 HB THR 40 23.060 16.253 -3.041 295 HG1 THR 40 HG1 THR 40 25.136 15.478 -3.195 296 HG21 THR 40 HG21 THR 40 22.712 18.545 -4.083 297 HG22 THR 40 HG22 THR 40 22.859 17.212 -5.227 298 HG23 THR 40 HG23 THR 40 24.227 18.289 -4.949 299 H PHE 41 H PHE 41 26.697 16.859 -1.682 300 HA PHE 41 HA PHE 41 26.167 14.608 -0.134 301 HB2 PHE 41 HB2 PHE 41 28.328 15.018 -1.142 302 HB3 PHE 41 HB3 PHE 41 28.562 16.443 -0.151 303 HD1 PHE 41 HD1 PHE 41 27.530 12.894 0.553 304 HD2 PHE 41 HD2 PHE 41 30.229 16.123 1.412 305 HE1 PHE 41 HE1 PHE 41 28.639 11.509 2.285 306 HE2 PHE 41 HE2 PHE 41 31.338 14.737 3.142 307 HZ PHE 41 HZ PHE 41 30.539 12.436 3.588 308 H LYS 42 H LYS 42 26.967 17.911 0.981 309 HA LYS 42 HA LYS 42 27.001 17.315 3.720 310 HB2 LYS 42 HB2 LYS 42 26.346 19.905 2.304 311 HB3 LYS 42 HB3 LYS 42 26.626 19.762 4.041 312 HG2 LYS 42 HG2 LYS 42 28.869 18.781 3.559 313 HG3 LYS 42 HG3 LYS 42 28.592 19.068 1.841 314 HD2 LYS 42 HD2 LYS 42 28.287 21.495 2.333 315 HD3 LYS 42 HD3 LYS 42 28.694 21.174 4.020 316 HE2 LYS 42 HE2 LYS 42 30.834 20.038 2.987 317 HE3 LYS 42 HE3 LYS 42 30.457 21.049 1.592 318 HZ1 LYS 42 HZ1 LYS 42 30.941 22.933 2.708 319 HZ2 LYS 42 HZ2 LYS 42 31.917 21.889 3.628 320 HZ3 LYS 42 HZ3 LYS 42 30.382 22.346 4.198 321 H LEU 43 H LEU 43 24.311 18.195 1.596 322 HA LEU 43 HA LEU 43 22.383 18.660 3.594 323 HB2 LEU 43 HB2 LEU 43 22.102 19.220 1.180 324 HB3 LEU 43 HB3 LEU 43 21.917 17.499 0.838 325 HG LEU 43 HG LEU 43 20.013 17.464 2.502 326 HD11 LEU 43 HD11 LEU 43 19.012 19.861 2.778 327 HD12 LEU 43 HD12 LEU 43 20.659 20.406 2.460 328 HD13 LEU 43 HD13 LEU 43 20.325 19.366 3.845 329 HD21 LEU 43 HD21 LEU 43 18.435 18.696 0.940 330 HD22 LEU 43 HD22 LEU 43 19.480 17.515 0.152 331 HD23 LEU 43 HD23 LEU 43 19.857 19.235 0.047 332 H ASP 44 H ASP 44 23.377 15.682 1.944 333 HA ASP 44 HA ASP 44 21.419 13.996 3.109 334 HB2 ASP 44 HB2 ASP 44 24.172 13.356 2.032 335 HB3 ASP 44 HB3 ASP 44 22.950 12.155 2.443 336 H VAL 45 H VAL 45 24.702 14.898 4.091 337 HA VAL 45 HA VAL 45 24.912 13.105 6.270 338 HB VAL 45 HB VAL 45 26.239 15.807 5.917 339 HG11 VAL 45 HG11 VAL 45 26.913 13.399 7.635 340 HG12 VAL 45 HG12 VAL 45 26.462 15.006 8.203 341 HG13 VAL 45 HG13 VAL 45 27.998 14.764 7.371 342 HG21 VAL 45 HG21 VAL 45 28.034 14.619 4.842 343 HG22 VAL 45 HG22 VAL 45 26.545 14.126 4.036 344 HG23 VAL 45 HG23 VAL 45 27.303 13.058 5.216 345 H ALA 46 H ALA 46 23.622 16.397 6.005 346 HA ALA 46 HA ALA 46 23.311 16.962 8.729 347 HB1 ALA 46 HB1 ALA 46 21.227 17.833 6.763 348 HB2 ALA 46 HB2 ALA 46 22.880 18.415 6.571 349 HB3 ALA 46 HB3 ALA 46 21.996 18.749 8.060 350 H ASP 47 H ASP 47 21.126 15.313 6.464 351 HA ASP 47 HA ASP 47 19.027 14.853 8.308 352 HB2 ASP 47 HB2 ASP 47 19.846 13.296 5.845 353 HB3 ASP 47 HB3 ASP 47 18.325 13.088 6.710 354 H PHE 48 H PHE 48 21.929 13.003 7.473 355 HA PHE 48 HA PHE 48 21.292 10.648 8.890 356 HB2 PHE 48 HB2 PHE 48 23.086 10.790 7.219 357 HB3 PHE 48 HB3 PHE 48 23.998 11.842 8.284 358 HD1 PHE 48 HD1 PHE 48 25.232 10.962 10.157 359 HD2 PHE 48 HD2 PHE 48 22.761 8.392 7.765 360 HE1 PHE 48 HE1 PHE 48 26.282 8.976 11.206 361 HE2 PHE 48 HE2 PHE 48 23.809 6.406 8.814 362 HZ PHE 48 HZ PHE 48 25.570 6.697 10.536 363 H VAL 49 H VAL 49 23.214 13.494 9.869 364 HA VAL 49 HA VAL 49 23.781 12.457 12.464 365 HB VAL 49 HB VAL 49 24.600 14.718 12.970 366 HG11 VAL 49 HG11 VAL 49 25.423 14.111 10.139 367 HG12 VAL 49 HG12 VAL 49 25.806 12.983 11.439 368 HG13 VAL 49 HG13 VAL 49 26.422 14.635 11.495 369 HG21 VAL 49 HG21 VAL 49 23.346 15.386 10.289 370 HG22 VAL 49 HG22 VAL 49 24.489 16.431 11.129 371 HG23 VAL 49 HG23 VAL 49 22.923 16.075 11.857 372 H THR 50 H THR 50 21.290 14.641 11.205 373 HA THR 50 HA THR 50 20.230 15.440 13.695 374 HB THR 50 HB THR 50 18.754 15.122 11.068 375 HG1 THR 50 HG1 THR 50 19.534 17.070 10.634 376 HG21 THR 50 HG21 THR 50 17.116 15.522 12.700 377 HG22 THR 50 HG22 THR 50 17.518 17.149 12.151 378 HG23 THR 50 HG23 THR 50 18.189 16.538 13.663 379 H THR 51 H THR 51 19.498 12.682 11.590 380 HA THR 51 HA THR 51 17.274 11.695 12.997 381 HB THR 51 HB THR 51 19.348 10.075 11.501 382 HG1 THR 51 HG1 THR 51 18.430 10.820 9.781 383 HG21 THR 51 HG21 THR 51 17.494 8.520 11.149 384 HG22 THR 51 HG22 THR 51 16.402 9.590 12.028 385 HG23 THR 51 HG23 THR 51 17.723 8.787 12.877 386 H VAL 52 H VAL 52 20.744 11.154 13.448 387 HA VAL 52 HA VAL 52 20.548 9.111 15.386 388 HB VAL 52 HB VAL 52 22.713 11.199 15.011 389 HG11 VAL 52 HG11 VAL 52 22.550 8.652 16.617 390 HG12 VAL 52 HG12 VAL 52 23.150 10.235 17.116 391 HG13 VAL 52 HG13 VAL 52 24.100 9.239 16.013 392 HG21 VAL 52 HG21 VAL 52 23.743 9.716 13.503 393 HG22 VAL 52 HG22 VAL 52 22.042 9.593 13.062 394 HG23 VAL 52 HG23 VAL 52 22.787 8.343 14.055 395 H VAL 53 H VAL 53 20.644 12.651 15.665 396 HA VAL 53 HA VAL 53 20.783 12.810 18.470 397 HB VAL 53 HB VAL 53 19.433 14.711 16.533 398 HG11 VAL 53 HG11 VAL 53 18.849 15.039 18.955 399 HG12 VAL 53 HG12 VAL 53 19.735 16.394 18.256 400 HG13 VAL 53 HG13 VAL 53 20.568 15.238 19.295 401 HG21 VAL 53 HG21 VAL 53 22.212 14.916 17.701 402 HG22 VAL 53 HG22 VAL 53 21.528 15.822 16.352 403 HG23 VAL 53 HG23 VAL 53 21.909 14.112 16.161 404 H GLN 54 H GLN 54 17.985 12.649 16.276 405 HA GLN 54 HA GLN 54 15.972 12.860 18.231 406 HB2 GLN 54 HB2 GLN 54 15.930 11.344 15.610 407 HB3 GLN 54 HB3 GLN 54 14.512 11.783 16.561 408 HG2 GLN 54 HG2 GLN 54 16.491 13.729 15.343 409 HG3 GLN 54 HG3 GLN 54 14.876 13.390 14.727 410 HE21 GLN 54 HE21 GLN 54 16.392 15.783 16.269 411 HE22 GLN 54 HE22 GLN 54 15.181 16.303 17.340 412 H LEU 55 H LEU 55 17.719 10.053 16.961 413 HA LEU 55 HA LEU 55 16.265 8.057 18.336 414 HB2 LEU 55 HB2 LEU 55 17.866 7.716 16.424 415 HB3 LEU 55 HB3 LEU 55 19.188 7.974 17.559 416 HG LEU 55 HG LEU 55 17.080 5.956 18.258 417 HD11 LEU 55 HD11 LEU 55 18.381 4.217 17.043 418 HD12 LEU 55 HD12 LEU 55 19.365 5.488 16.319 419 HD13 LEU 55 HD13 LEU 55 17.645 5.387 15.946 420 HD21 LEU 55 HD21 LEU 55 18.654 6.173 19.972 421 HD22 LEU 55 HD22 LEU 55 19.979 6.482 18.852 422 HD23 LEU 55 HD23 LEU 55 19.345 4.848 19.041 423 H ALA 56 H ALA 56 19.136 9.939 19.199 424 HA ALA 56 HA ALA 56 19.786 8.583 21.583 425 HB1 ALA 56 HB1 ALA 56 21.412 10.028 20.632 426 HB2 ALA 56 HB2 ALA 56 20.932 10.773 22.158 427 HB3 ALA 56 HB3 ALA 56 20.301 11.398 20.633 428 H GLU 57 H GLU 57 17.498 11.188 20.922 429 HA GLU 57 HA GLU 57 17.096 12.146 23.512 430 HB2 GLU 57 HB2 GLU 57 16.170 13.154 21.425 431 HB3 GLU 57 HB3 GLU 57 14.989 11.845 21.363 432 HG2 GLU 57 HG2 GLU 57 14.191 12.495 23.627 433 HG3 GLU 57 HG3 GLU 57 15.317 13.844 23.617 434 H GLU 58 H GLU 58 15.605 9.386 21.855 435 HA GLU 58 HA GLU 58 13.762 8.764 23.935 436 HB2 GLU 58 HB2 GLU 58 14.928 7.046 21.734 437 HB3 GLU 58 HB3 GLU 58 13.603 6.556 22.784 438 HG2 GLU 58 HG2 GLU 58 13.604 8.920 20.887 439 HG3 GLU 58 HG3 GLU 58 12.718 7.416 20.672 440 H LEU 59 H LEU 59 17.060 7.716 23.205 441 HA LEU 59 HA LEU 59 17.148 5.606 25.102 442 HB2 LEU 59 HB2 LEU 59 19.443 7.211 23.961 443 HB3 LEU 59 HB3 LEU 59 19.561 5.639 24.747 444 HG LEU 59 HG LEU 59 18.021 6.213 22.197 445 HD11 LEU 59 HD11 LEU 59 20.332 6.290 21.660 446 HD12 LEU 59 HD12 LEU 59 19.843 4.639 21.282 447 HD13 LEU 59 HD13 LEU 59 20.717 4.980 22.774 448 HD21 LEU 59 HD21 LEU 59 16.943 4.389 23.301 449 HD22 LEU 59 HD22 LEU 59 18.480 3.705 23.828 450 HD23 LEU 59 HD23 LEU 59 18.027 3.644 22.127 451 H GLU 60 H GLU 60 17.841 9.057 25.333 452 HA GLU 60 HA GLU 60 19.424 9.066 27.630 453 HB2 GLU 60 HB2 GLU 60 18.955 11.044 26.167 454 HB3 GLU 60 HB3 GLU 60 17.355 11.150 26.904 455 HG2 GLU 60 HG2 GLU 60 18.434 11.336 29.141 456 HG3 GLU 60 HG3 GLU 60 20.007 11.333 28.357 457 H HIS 61 H HIS 61 15.886 9.119 27.331 458 HA HIS 61 HA HIS 61 15.491 9.222 30.190 459 HB2 HIS 61 HB2 HIS 61 13.571 8.660 27.929 460 HB3 HIS 61 HB3 HIS 61 13.109 8.882 29.606 461 HD1 HIS 61 HD1 HIS 61 13.984 10.721 26.519 462 HD2 HIS 61 HD2 HIS 61 13.482 11.612 30.560 463 HE1 HIS 61 HE1 HIS 61 13.814 13.242 26.680 464 H ARG 62 H ARG 62 15.235 6.761 27.651 465 HA ARG 62 HA ARG 62 14.182 4.685 29.212 466 HB2 ARG 62 HB2 ARG 62 14.330 4.676 26.729 467 HB3 ARG 62 HB3 ARG 62 16.071 4.426 26.863 468 HG2 ARG 62 HG2 ARG 62 15.641 2.346 28.166 469 HG3 ARG 62 HG3 ARG 62 13.909 2.577 27.913 470 HD2 ARG 62 HD2 ARG 62 15.973 2.259 25.716 471 HD3 ARG 62 HD3 ARG 62 14.856 1.008 26.254 472 HE ARG 62 HE ARG 62 13.348 3.275 25.580 473 HH11 ARG 62 HH11 ARG 62 15.370 0.918 23.942 474 HH12 ARG 62 HH12 ARG 62 14.506 1.068 22.448 475 HH21 ARG 62 HH21 ARG 62 12.276 3.426 23.632 476 HH22 ARG 62 HH22 ARG 62 12.777 2.471 22.275 477 H PHE 63 H PHE 63 17.522 5.728 28.711 478 HA PHE 63 HA PHE 63 18.429 3.643 30.605 479 HB2 PHE 63 HB2 PHE 63 20.009 5.215 28.569 480 HB3 PHE 63 HB3 PHE 63 20.665 4.015 29.666 481 HD1 PHE 63 HD1 PHE 63 18.528 1.912 29.495 482 HD2 PHE 63 HD2 PHE 63 20.392 4.298 26.447 483 HE1 PHE 63 HE1 PHE 63 18.045 0.148 27.819 484 HE2 PHE 63 HE2 PHE 63 19.908 2.534 24.773 485 HZ PHE 63 HZ PHE 63 18.734 0.460 25.458 486 H GLY 64 H GLY 64 20.256 4.287 32.015 487 HA2 GLY 64 HA2 GLY 64 19.445 6.641 33.476 488 HA3 GLY 64 HA3 GLY 64 20.673 5.479 33.960 489 H ARG 65 H ARG 65 21.535 7.728 34.592 490 HA ARG 65 HA ARG 65 22.481 9.570 32.709 491 HB2 ARG 65 HB2 ARG 65 23.552 8.909 35.459 492 HB3 ARG 65 HB3 ARG 65 23.956 10.354 34.531 493 HG2 ARG 65 HG2 ARG 65 21.545 10.957 34.462 494 HG3 ARG 65 HG3 ARG 65 21.187 9.554 35.470 495 HD2 ARG 65 HD2 ARG 65 22.794 10.486 37.181 496 HD3 ARG 65 HD3 ARG 65 22.876 11.954 36.210 497 HE ARG 65 HE ARG 65 20.244 11.751 36.539 498 HH11 ARG 65 HH11 ARG 65 22.787 11.336 38.928 499 HH12 ARG 65 HH12 ARG 65 21.763 11.810 40.241 500 HH21 ARG 65 HH21 ARG 65 18.979 12.355 38.274 501 HH22 ARG 65 HH22 ARG 65 19.638 12.382 39.875 502 H ASN 66 H ASN 66 23.833 6.494 33.693 503 HA ASN 66 HA ASN 66 26.539 7.066 33.053 504 HB2 ASN 66 HB2 ASN 66 25.109 4.411 33.214 505 HB3 ASN 66 HB3 ASN 66 26.858 4.630 33.160 506 HD21 ASN 66 HD21 ASN 66 27.221 6.812 34.887 507 HD22 ASN 66 HD22 ASN 66 26.705 6.391 36.449 508 H ARG 67 H ARG 67 24.009 6.934 30.892 509 HA ARG 67 HA ARG 67 25.758 5.918 28.730 510 HB2 ARG 67 HB2 ARG 67 22.761 6.356 28.707 511 HB3 ARG 67 HB3 ARG 67 23.722 5.670 27.399 512 HG2 ARG 67 HG2 ARG 67 23.527 4.472 30.177 513 HG3 ARG 67 HG3 ARG 67 22.569 3.940 28.796 514 HD2 ARG 67 HD2 ARG 67 24.701 3.471 27.567 515 HD3 ARG 67 HD3 ARG 67 25.589 3.860 29.038 516 HE ARG 67 HE ARG 67 23.633 1.929 29.648 517 HH11 ARG 67 HH11 ARG 67 26.640 2.165 27.850 518 HH12 ARG 67 HH12 ARG 67 27.029 0.495 28.091 519 HH21 ARG 67 HH21 ARG 67 24.188 -0.209 29.926 520 HH22 ARG 67 HH22 ARG 67 25.657 -0.833 29.254 521 H ARG 68 H ARG 68 25.725 7.129 26.704 522 HA ARG 68 HA ARG 68 26.458 9.790 27.128 523 HB2 ARG 68 HB2 ARG 68 25.595 8.425 24.567 524 HB3 ARG 68 HB3 ARG 68 26.393 9.996 24.649 525 HG2 ARG 68 HG2 ARG 68 28.297 8.909 25.861 526 HG3 ARG 68 HG3 ARG 68 27.519 7.349 25.601 527 HD2 ARG 68 HD2 ARG 68 28.438 9.265 23.442 528 HD3 ARG 68 HD3 ARG 68 29.200 7.737 23.867 529 HE ARG 68 HE ARG 68 26.495 7.254 23.237 530 HH11 ARG 68 HH11 ARG 68 29.462 8.199 21.614 531 HH12 ARG 68 HH12 ARG 68 28.963 7.527 20.097 532 HH21 ARG 68 HH21 ARG 68 25.909 6.408 21.257 533 HH22 ARG 68 HH22 ARG 68 26.978 6.526 19.900 534 H GLY 69 H GLY 69 25.427 11.710 27.037 535 HA2 GLY 69 HA2 GLY 69 22.500 11.666 26.917 536 HA3 GLY 69 HA3 GLY 69 23.500 12.994 27.501 537 H ARG 70 H ARG 70 21.479 13.628 25.826 538 HA ARG 70 HA ARG 70 21.857 13.463 23.076 539 HB2 ARG 70 HB2 ARG 70 20.639 15.704 24.704 540 HB3 ARG 70 HB3 ARG 70 20.463 15.520 22.959 541 HG2 ARG 70 HG2 ARG 70 19.463 13.262 23.342 542 HG3 ARG 70 HG3 ARG 70 19.536 13.562 25.079 543 HD2 ARG 70 HD2 ARG 70 17.997 15.201 23.047 544 HD3 ARG 70 HD3 ARG 70 17.305 14.107 24.238 545 HE ARG 70 HE ARG 70 18.906 16.033 25.553 546 HH11 ARG 70 HH11 ARG 70 15.834 15.807 23.870 547 HH12 ARG 70 HH12 ARG 70 15.148 17.141 24.736 548 HH21 ARG 70 HH21 ARG 70 17.971 17.744 26.635 549 HH22 ARG 70 HH22 ARG 70 16.343 18.222 26.282 550 H THR 71 H THR 71 23.258 15.720 25.405 551 HA THR 71 HA THR 71 24.205 17.621 23.540 552 HB THR 71 HB THR 71 25.623 18.416 25.379 553 HG1 THR 71 HG1 THR 71 26.159 16.381 26.193 554 HG21 THR 71 HG21 THR 71 22.896 17.524 26.354 555 HG22 THR 71 HG22 THR 71 23.188 18.939 25.344 556 HG23 THR 71 HG23 THR 71 23.842 18.874 26.980 557 H GLU 72 H GLU 72 25.616 14.631 24.792 558 HA GLU 72 HA GLU 72 28.277 15.150 23.999 559 HB2 GLU 72 HB2 GLU 72 26.840 12.522 24.408 560 HB3 GLU 72 HB3 GLU 72 28.584 12.687 24.195 561 HG2 GLU 72 HG2 GLU 72 28.639 14.224 26.159 562 HG3 GLU 72 HG3 GLU 72 26.923 13.933 26.403 563 H ILE 73 H ILE 73 25.564 13.627 22.285 564 HA ILE 73 HA ILE 73 27.056 12.841 20.003 565 HB ILE 73 HB ILE 73 24.119 13.565 20.174 566 HG12 ILE 73 HG12 ILE 73 24.197 10.841 20.111 567 HG13 ILE 73 HG13 ILE 73 25.694 11.153 20.974 568 HG21 ILE 73 HG21 ILE 73 25.828 12.242 18.078 569 HG22 ILE 73 HG22 ILE 73 24.598 13.490 17.882 570 HG23 ILE 73 HG23 ILE 73 24.119 11.827 18.220 571 HD11 ILE 73 HD11 ILE 73 24.471 11.386 22.838 572 HD12 ILE 73 HD12 ILE 73 22.972 11.307 21.923 573 HD13 ILE 73 HD13 ILE 73 23.769 12.858 22.170 574 H TYR 74 H TYR 74 25.397 15.853 20.869 575 HA TYR 74 HA TYR 74 25.556 17.140 18.388 576 HB2 TYR 74 HB2 TYR 74 25.461 18.120 21.215 577 HB3 TYR 74 HB3 TYR 74 25.707 19.256 19.903 578 HD1 TYR 74 HD1 TYR 74 23.308 17.379 21.797 579 HD2 TYR 74 HD2 TYR 74 23.971 19.278 18.002 580 HE1 TYR 74 HE1 TYR 74 20.862 17.451 21.405 581 HE2 TYR 74 HE2 TYR 74 21.525 19.351 17.611 582 HH TYR 74 HH TYR 74 19.518 19.015 18.584 583 H LYS 75 H LYS 75 27.925 16.967 21.034 584 HA LYS 75 HA LYS 75 29.800 18.784 20.015 585 HB2 LYS 75 HB2 LYS 75 30.355 16.246 21.572 586 HB3 LYS 75 HB3 LYS 75 31.441 17.624 21.409 587 HG2 LYS 75 HG2 LYS 75 28.681 17.739 22.656 588 HG3 LYS 75 HG3 LYS 75 30.191 17.654 23.561 589 HD2 LYS 75 HD2 LYS 75 30.919 19.764 22.383 590 HD3 LYS 75 HD3 LYS 75 29.287 19.883 21.721 591 HE2 LYS 75 HE2 LYS 75 29.103 21.185 23.647 592 HE3 LYS 75 HE3 LYS 75 28.539 19.616 24.218 593 HZ1 LYS 75 HZ1 LYS 75 30.162 19.625 25.700 594 HZ2 LYS 75 HZ2 LYS 75 30.736 21.113 25.115 595 HZ3 LYS 75 HZ3 LYS 75 31.317 19.658 24.458 596 H ILE 76 H ILE 76 29.377 15.317 19.369 597 HA ILE 76 HA ILE 76 31.582 14.973 17.660 598 HB ILE 76 HB ILE 76 28.880 13.631 17.423 599 HG12 ILE 76 HG12 ILE 76 29.707 13.421 19.720 600 HG13 ILE 76 HG13 ILE 76 29.845 11.875 18.890 601 HG21 ILE 76 HG21 ILE 76 30.128 13.054 15.522 602 HG22 ILE 76 HG22 ILE 76 30.477 11.739 16.644 603 HG23 ILE 76 HG23 ILE 76 31.651 13.035 16.412 604 HD11 ILE 76 HD11 ILE 76 32.082 13.866 19.375 605 HD12 ILE 76 HD12 ILE 76 32.256 12.380 18.441 606 HD13 ILE 76 HD13 ILE 76 31.885 12.301 20.163 607 H VAL 77 H VAL 77 28.270 16.071 17.015 608 HA VAL 77 HA VAL 77 28.443 16.188 14.214 609 HB VAL 77 HB VAL 77 26.813 17.957 16.057 610 HG11 VAL 77 HG11 VAL 77 26.430 17.191 13.144 611 HG12 VAL 77 HG12 VAL 77 26.936 18.776 13.726 612 HG13 VAL 77 HG13 VAL 77 25.321 18.174 14.101 613 HG21 VAL 77 HG21 VAL 77 26.118 15.804 16.624 614 HG22 VAL 77 HG22 VAL 77 26.473 15.157 15.023 615 HG23 VAL 77 HG23 VAL 77 25.041 16.157 15.273 616 H LYS 78 H LYS 78 29.233 18.606 16.702 617 HA LYS 78 HA LYS 78 29.890 20.749 15.029 618 HB2 LYS 78 HB2 LYS 78 31.246 19.950 17.618 619 HB3 LYS 78 HB3 LYS 78 31.306 21.542 16.866 620 HG2 LYS 78 HG2 LYS 78 28.756 20.181 17.776 621 HG3 LYS 78 HG3 LYS 78 29.627 21.392 18.715 622 HD2 LYS 78 HD2 LYS 78 29.402 22.950 16.739 623 HD3 LYS 78 HD3 LYS 78 28.333 21.761 16.002 624 HE2 LYS 78 HE2 LYS 78 27.528 22.373 18.758 625 HE3 LYS 78 HE3 LYS 78 27.580 23.808 17.740 626 HZ1 LYS 78 HZ1 LYS 78 25.437 22.546 17.729 627 HZ2 LYS 78 HZ2 LYS 78 26.246 21.303 16.901 628 HZ3 LYS 78 HZ3 LYS 78 26.111 22.845 16.200 629 H GLU 79 H GLU 79 31.822 17.948 16.026 630 HA GLU 79 HA GLU 79 34.232 18.833 14.768 631 HB2 GLU 79 HB2 GLU 79 33.347 16.051 15.574 632 HB3 GLU 79 HB3 GLU 79 34.984 16.505 15.101 633 HG2 GLU 79 HG2 GLU 79 35.026 18.160 16.965 634 HG3 GLU 79 HG3 GLU 79 33.439 17.593 17.467 635 H VAL 80 H VAL 80 31.648 16.561 13.825 636 HA VAL 80 HA VAL 80 32.842 15.666 11.442 637 HB VAL 80 HB VAL 80 29.889 15.930 12.084 638 HG11 VAL 80 HG11 VAL 80 29.632 14.104 10.421 639 HG12 VAL 80 HG12 VAL 80 31.351 14.222 10.045 640 HG13 VAL 80 HG13 VAL 80 30.276 15.572 9.686 641 HG21 VAL 80 HG21 VAL 80 31.520 13.410 12.266 642 HG22 VAL 80 HG22 VAL 80 29.999 13.804 13.061 643 HG23 VAL 80 HG23 VAL 80 31.500 14.538 13.618 644 H ASP 81 H ASP 81 30.689 18.415 12.086 645 HA ASP 81 HA ASP 81 30.227 19.224 9.452 646 HB2 ASP 81 HB2 ASP 81 29.127 20.140 11.531 647 HB3 ASP 81 HB3 ASP 81 30.591 21.086 11.806 648 H ARG 82 H ARG 82 32.908 20.004 11.645 649 HA ARG 82 HA ARG 82 34.169 21.877 9.930 650 HB2 ARG 82 HB2 ARG 82 34.627 21.663 12.367 651 HB3 ARG 82 HB3 ARG 82 35.456 20.139 12.046 652 HG2 ARG 82 HG2 ARG 82 36.997 21.338 10.500 653 HG3 ARG 82 HG3 ARG 82 36.210 22.856 10.934 654 HD2 ARG 82 HD2 ARG 82 37.605 20.992 12.875 655 HD3 ARG 82 HD3 ARG 82 38.274 22.496 12.250 656 HE ARG 82 HE ARG 82 36.398 22.234 14.380 657 HH11 ARG 82 HH11 ARG 82 37.206 24.345 11.692 658 HH12 ARG 82 HH12 ARG 82 36.501 25.736 12.445 659 HH21 ARG 82 HH21 ARG 82 35.514 24.062 15.299 660 HH22 ARG 82 HH22 ARG 82 35.558 25.577 14.462 661 H LYS 83 H LYS 83 34.593 18.375 10.374 662 HA LYS 83 HA LYS 83 36.816 18.086 8.662 663 HB2 LYS 83 HB2 LYS 83 34.632 16.073 9.246 664 HB3 LYS 83 HB3 LYS 83 36.222 15.714 8.576 665 HG2 LYS 83 HG2 LYS 83 35.745 16.991 11.283 666 HG3 LYS 83 HG3 LYS 83 36.100 15.283 11.030 667 HD2 LYS 83 HD2 LYS 83 38.233 15.988 9.876 668 HD3 LYS 83 HD3 LYS 83 37.893 17.640 10.395 669 HE2 LYS 83 HE2 LYS 83 37.934 16.979 12.729 670 HE3 LYS 83 HE3 LYS 83 38.108 15.282 12.283 671 HZ1 LYS 83 HZ1 LYS 83 40.237 16.218 12.866 672 HZ2 LYS 83 HZ2 LYS 83 40.052 17.453 11.713 673 HZ3 LYS 83 HZ3 LYS 83 40.217 15.839 11.212 674 H LEU 84 H LEU 84 33.322 17.928 8.014 675 HA LEU 84 HA LEU 84 33.481 17.238 5.293 676 HB2 LEU 84 HB2 LEU 84 31.448 18.895 6.801 677 HB3 LEU 84 HB3 LEU 84 31.244 18.391 5.124 678 HG LEU 84 HG LEU 84 31.861 16.370 7.277 679 HD11 LEU 84 HD11 LEU 84 29.572 16.094 7.776 680 HD12 LEU 84 HD12 LEU 84 29.059 17.022 6.368 681 HD13 LEU 84 HD13 LEU 84 29.774 17.845 7.754 682 HD21 LEU 84 HD21 LEU 84 30.396 16.221 4.619 683 HD22 LEU 84 HD22 LEU 84 30.757 14.855 5.674 684 HD23 LEU 84 HD23 LEU 84 32.068 15.730 4.883 685 H LEU 85 H LEU 85 33.507 20.407 6.901 686 HA LEU 85 HA LEU 85 33.771 21.947 4.528 687 HB2 LEU 85 HB2 LEU 85 34.631 22.566 7.366 688 HB3 LEU 85 HB3 LEU 85 34.545 23.741 6.054 689 HG LEU 85 HG LEU 85 32.146 22.072 6.798 690 HD11 LEU 85 HD11 LEU 85 31.476 23.609 8.437 691 HD12 LEU 85 HD12 LEU 85 32.584 24.854 7.862 692 HD13 LEU 85 HD13 LEU 85 33.205 23.462 8.749 693 HD21 LEU 85 HD21 LEU 85 32.170 24.899 5.763 694 HD22 LEU 85 HD22 LEU 85 30.941 23.652 5.558 695 HD23 LEU 85 HD23 LEU 85 32.447 23.562 4.648 696 H ASP 86 H ASP 86 36.119 20.445 6.714 697 HA ASP 86 HA ASP 86 38.463 21.585 5.688 698 HB2 ASP 86 HB2 ASP 86 37.977 18.839 6.858 699 HB3 ASP 86 HB3 ASP 86 39.574 19.510 6.538 700 H LEU 87 H LEU 87 36.643 18.718 4.635 701 HA LEU 87 HA LEU 87 38.367 17.937 2.542 702 HB2 LEU 87 HB2 LEU 87 36.476 16.568 3.416 703 HB3 LEU 87 HB3 LEU 87 35.351 17.686 2.649 704 HG LEU 87 HG LEU 87 36.642 17.188 0.463 705 HD11 LEU 87 HD11 LEU 87 37.769 15.004 0.415 706 HD12 LEU 87 HD12 LEU 87 37.496 14.812 2.146 707 HD13 LEU 87 HD13 LEU 87 38.568 16.082 1.558 708 HD21 LEU 87 HD21 LEU 87 35.369 14.989 0.210 709 HD22 LEU 87 HD22 LEU 87 34.409 16.378 0.719 710 HD23 LEU 87 HD23 LEU 87 34.908 15.171 1.903 711 H THR 88 H THR 88 35.667 20.239 2.657 712 HA THR 88 HA THR 88 35.562 20.872 -0.084 713 HB THR 88 HB THR 88 35.011 22.773 2.204 714 HG1 THR 88 HG1 THR 88 33.603 20.607 1.239 715 HG21 THR 88 HG21 THR 88 34.867 23.932 0.148 716 HG22 THR 88 HG22 THR 88 33.202 23.470 0.502 717 HG23 THR 88 HG23 THR 88 34.140 22.554 -0.677 718 H ASP 89 H ASP 89 37.469 22.240 2.575 719 HA ASP 89 HA ASP 89 38.638 24.367 1.151 720 HB2 ASP 89 HB2 ASP 89 39.702 22.761 3.484 721 HB3 ASP 89 HB3 ASP 89 40.398 24.275 2.909 722 H ALA 90 H ALA 90 39.650 20.996 1.586 723 HA ALA 90 HA ALA 90 42.146 21.240 0.261 724 HB1 ALA 90 HB1 ALA 90 42.089 18.792 0.134 725 HB2 ALA 90 HB2 ALA 90 40.378 18.800 0.561 726 HB3 ALA 90 HB3 ALA 90 41.581 19.340 1.732 727 H VAL 91 H VAL 91 38.904 20.344 -0.853 728 HA VAL 91 HA VAL 91 39.656 19.728 -3.524 729 HB VAL 91 HB VAL 91 36.981 20.622 -2.409 730 HG11 VAL 91 HG11 VAL 91 37.202 20.846 -4.897 731 HG12 VAL 91 HG12 VAL 91 36.008 19.643 -4.411 732 HG13 VAL 91 HG13 VAL 91 37.598 19.130 -4.976 733 HG21 VAL 91 HG21 VAL 91 38.177 18.458 -1.541 734 HG22 VAL 91 HG22 VAL 91 37.764 17.805 -3.125 735 HG23 VAL 91 HG23 VAL 91 36.490 18.356 -2.040 736 H LEU 92 H LEU 92 38.506 22.692 -1.944 737 HA LEU 92 HA LEU 92 38.608 24.181 -4.436 738 HB2 LEU 92 HB2 LEU 92 38.057 25.142 -1.623 739 HB3 LEU 92 HB3 LEU 92 37.813 26.068 -3.101 740 HG LEU 92 HG LEU 92 36.424 23.449 -2.455 741 HD11 LEU 92 HD11 LEU 92 35.268 26.249 -2.514 742 HD12 LEU 92 HD12 LEU 92 35.769 25.440 -1.030 743 HD13 LEU 92 HD13 LEU 92 34.459 24.768 -2.002 744 HD21 LEU 92 HD21 LEU 92 34.943 24.319 -4.385 745 HD22 LEU 92 HD22 LEU 92 36.520 23.660 -4.819 746 HD23 LEU 92 HD23 LEU 92 36.282 25.406 -4.753 747 H ALA 93 H ALA 93 40.960 23.350 -2.149 748 HA ALA 93 HA ALA 93 42.431 25.703 -1.815 749 HB1 ALA 93 HB1 ALA 93 43.750 23.033 -2.256 750 HB2 ALA 93 HB2 ALA 93 42.822 23.357 -0.792 751 HB3 ALA 93 HB3 ALA 93 44.235 24.338 -1.174 752 H LYS 94 H LYS 94 44.292 26.511 -2.931 753 HA LYS 94 HA LYS 94 44.049 26.756 -5.703 754 HB2 LYS 94 HB2 LYS 94 45.352 28.290 -4.233 755 HB3 LYS 94 HB3 LYS 94 46.590 27.042 -4.079 756 HG2 LYS 94 HG2 LYS 94 46.975 27.071 -6.491 757 HG3 LYS 94 HG3 LYS 94 45.672 28.243 -6.709 758 HD2 LYS 94 HD2 LYS 94 47.757 29.461 -6.716 759 HD3 LYS 94 HD3 LYS 94 46.940 29.811 -5.192 760 HE2 LYS 94 HE2 LYS 94 48.337 28.261 -3.995 761 HE3 LYS 94 HE3 LYS 94 49.023 27.635 -5.495 762 HZ1 LYS 94 HZ1 LYS 94 50.357 29.424 -5.742 763 HZ2 LYS 94 HZ2 LYS 94 50.208 29.497 -4.052 764 HZ3 LYS 94 HZ3 LYS 94 49.256 30.503 -5.035 765 H GLU 95 H GLU 95 46.130 24.608 -3.789 766 HA GLU 95 HA GLU 95 46.412 22.885 -6.186 767 HB2 GLU 95 HB2 GLU 95 48.335 23.244 -3.872 768 HB3 GLU 95 HB3 GLU 95 48.517 22.057 -5.164 769 HG2 GLU 95 HG2 GLU 95 48.502 23.910 -6.826 770 HG3 GLU 95 HG3 GLU 95 48.422 25.066 -5.503 771 H LYS 96 H LYS 96 45.921 20.732 -5.942 772 HA LYS 96 HA LYS 96 44.882 19.893 -3.298 773 HB2 LYS 96 HB2 LYS 96 42.982 18.828 -4.428 774 HB3 LYS 96 HB3 LYS 96 42.998 20.564 -4.705 775 HG2 LYS 96 HG2 LYS 96 42.728 19.973 -6.891 776 HG3 LYS 96 HG3 LYS 96 44.470 19.754 -6.852 777 HD2 LYS 96 HD2 LYS 96 43.880 17.689 -7.680 778 HD3 LYS 96 HD3 LYS 96 43.771 17.326 -5.959 779 HE2 LYS 96 HE2 LYS 96 41.412 17.501 -5.953 780 HE3 LYS 96 HE3 LYS 96 41.387 18.360 -7.494 781 HZ1 LYS 96 HZ1 LYS 96 40.960 16.346 -8.333 782 HZ2 LYS 96 HZ2 LYS 96 41.544 15.524 -6.966 783 HZ3 LYS 96 HZ3 LYS 96 42.625 16.076 -8.155 784 H LYS 97 H LYS 97 45.270 17.832 -2.718 785 HA LYS 97 HA LYS 97 46.783 16.134 -4.610 786 HB2 LYS 97 HB2 LYS 97 46.660 16.109 -1.584 787 HB3 LYS 97 HB3 LYS 97 47.549 14.946 -2.564 788 HG2 LYS 97 HG2 LYS 97 48.984 16.674 -3.447 789 HG3 LYS 97 HG3 LYS 97 48.003 17.937 -2.702 790 HD2 LYS 97 HD2 LYS 97 49.903 17.654 -1.278 791 HD3 LYS 97 HD3 LYS 97 48.552 16.879 -0.457 792 HE2 LYS 97 HE2 LYS 97 49.528 14.775 -1.914 793 HE3 LYS 97 HE3 LYS 97 51.004 15.683 -1.598 794 HZ1 LYS 97 HZ1 LYS 97 49.868 15.782 0.792 795 HZ2 LYS 97 HZ2 LYS 97 50.926 14.540 0.318 796 HZ3 LYS 97 HZ3 LYS 97 49.246 14.298 0.253 797 H GLY 98 H GLY 98 45.968 14.191 -5.201 798 HA2 GLY 98 HA2 GLY 98 43.253 13.569 -4.834 799 HA3 GLY 98 HA3 GLY 98 44.477 12.453 -5.433 800 H GLU 99 H GLU 99 46.141 12.504 -3.094 801 HA GLU 99 HA GLU 99 44.971 10.376 -1.662 802 HB2 GLU 99 HB2 GLU 99 47.422 10.787 -1.895 803 HB3 GLU 99 HB3 GLU 99 47.262 12.138 -0.771 804 HG2 GLU 99 HG2 GLU 99 46.311 10.578 0.920 805 HG3 GLU 99 HG3 GLU 99 46.580 9.243 -0.191 806 H ASP 100 H ASP 100 45.146 13.846 -0.992 807 HA ASP 100 HA ASP 100 44.458 13.799 1.719 808 HB2 ASP 100 HB2 ASP 100 43.868 15.854 -0.415 809 HB3 ASP 100 HB3 ASP 100 43.546 16.111 1.294 810 H ILE 101 H ILE 101 42.381 13.783 -1.161 811 HA ILE 101 HA ILE 101 39.932 14.108 0.181 812 HB ILE 101 HB ILE 101 40.520 12.689 -2.431 813 HG12 ILE 101 HG12 ILE 101 39.597 15.519 -1.829 814 HG13 ILE 101 HG13 ILE 101 41.253 15.076 -2.234 815 HG21 ILE 101 HG21 ILE 101 38.112 13.216 -2.921 816 HG22 ILE 101 HG22 ILE 101 37.924 13.732 -1.246 817 HG23 ILE 101 HG23 ILE 101 38.308 12.050 -1.614 818 HD11 ILE 101 HD11 ILE 101 39.974 15.925 -4.203 819 HD12 ILE 101 HD12 ILE 101 38.855 14.578 -4.023 820 HD13 ILE 101 HD13 ILE 101 40.542 14.273 -4.428 821 H LEU 102 H LEU 102 41.816 11.181 -0.551 822 HA LEU 102 HA LEU 102 39.862 9.339 0.373 823 HB2 LEU 102 HB2 LEU 102 42.852 9.160 0.035 824 HB3 LEU 102 HB3 LEU 102 41.899 7.817 0.668 825 HG LEU 102 HG LEU 102 40.397 8.260 -1.446 826 HD11 LEU 102 HD11 LEU 102 42.961 9.714 -2.024 827 HD12 LEU 102 HD12 LEU 102 41.305 10.182 -2.411 828 HD13 LEU 102 HD13 LEU 102 42.102 8.911 -3.339 829 HD21 LEU 102 HD21 LEU 102 41.496 6.483 -2.508 830 HD22 LEU 102 HD22 LEU 102 42.048 6.309 -0.842 831 HD23 LEU 102 HD23 LEU 102 43.094 7.067 -2.042 832 H ASN 103 H ASN 103 42.592 10.941 1.989 833 HA ASN 103 HA ASN 103 42.379 9.500 4.419 834 HB2 ASN 103 HB2 ASN 103 43.555 12.228 3.856 835 HB3 ASN 103 HB3 ASN 103 43.772 11.327 5.356 836 HD21 ASN 103 HD21 ASN 103 45.936 12.072 3.517 837 HD22 ASN 103 HD22 ASN 103 46.612 10.624 2.945 838 H MET 104 H MET 104 41.061 12.645 3.399 839 HA MET 104 HA MET 104 40.031 13.328 5.957 840 HB2 MET 104 HB2 MET 104 39.247 14.294 3.196 841 HB3 MET 104 HB3 MET 104 38.698 15.022 4.702 842 HG2 MET 104 HG2 MET 104 41.592 14.771 3.832 843 HG3 MET 104 HG3 MET 104 40.631 16.243 3.750 844 HE1 MET 104 HE1 MET 104 39.952 17.220 7.343 845 HE2 MET 104 HE2 MET 104 38.918 16.026 6.562 846 HE3 MET 104 HE3 MET 104 39.561 17.374 5.626 847 H VAL 105 H VAL 105 38.538 11.797 3.109 848 HA VAL 105 HA VAL 105 35.895 11.809 4.079 849 HB VAL 105 HB VAL 105 37.236 9.860 2.183 850 HG11 VAL 105 HG11 VAL 105 35.191 8.838 2.903 851 HG12 VAL 105 HG12 VAL 105 34.844 9.585 1.344 852 HG13 VAL 105 HG13 VAL 105 34.324 10.372 2.834 853 HG21 VAL 105 HG21 VAL 105 36.669 11.314 0.454 854 HG22 VAL 105 HG22 VAL 105 37.088 12.455 1.729 855 HG23 VAL 105 HG23 VAL 105 35.397 12.100 1.387 856 H ALA 106 H ALA 106 38.528 9.466 4.490 857 HA ALA 106 HA ALA 106 37.053 7.438 5.757 858 HB1 ALA 106 HB1 ALA 106 39.913 8.147 6.412 859 HB2 ALA 106 HB2 ALA 106 39.453 7.325 4.921 860 HB3 ALA 106 HB3 ALA 106 39.144 6.561 6.480 861 H GLU 107 H GLU 107 38.642 10.325 7.070 862 HA GLU 107 HA GLU 107 38.170 9.700 9.805 863 HB2 GLU 107 HB2 GLU 107 38.643 12.360 8.441 864 HB3 GLU 107 HB3 GLU 107 38.658 12.107 10.187 865 HG2 GLU 107 HG2 GLU 107 40.467 10.422 9.896 866 HG3 GLU 107 HG3 GLU 107 40.488 10.772 8.173 867 H ILE 108 H ILE 108 36.360 11.605 7.410 868 HA ILE 108 HA ILE 108 34.401 12.610 9.174 869 HB ILE 108 HB ILE 108 34.145 11.967 6.220 870 HG12 ILE 108 HG12 ILE 108 34.717 14.637 7.512 871 HG13 ILE 108 HG13 ILE 108 36.013 13.560 7.001 872 HG21 ILE 108 HG21 ILE 108 32.308 13.548 6.218 873 HG22 ILE 108 HG22 ILE 108 32.585 13.938 7.915 874 HG23 ILE 108 HG23 ILE 108 31.980 12.345 7.465 875 HD11 ILE 108 HD11 ILE 108 33.989 15.010 5.327 876 HD12 ILE 108 HD12 ILE 108 34.681 13.502 4.732 877 HD13 ILE 108 HD13 ILE 108 35.731 14.872 5.094 878 H LYS 109 H LYS 109 34.501 9.661 7.192 879 HA LYS 109 HA LYS 109 31.925 8.717 7.821 880 HB2 LYS 109 HB2 LYS 109 34.451 7.220 7.092 881 HB3 LYS 109 HB3 LYS 109 32.853 6.481 7.186 882 HG2 LYS 109 HG2 LYS 109 32.008 7.932 5.441 883 HG3 LYS 109 HG3 LYS 109 33.509 8.858 5.426 884 HD2 LYS 109 HD2 LYS 109 33.585 7.318 3.567 885 HD3 LYS 109 HD3 LYS 109 34.718 6.740 4.788 886 HE2 LYS 109 HE2 LYS 109 33.066 5.125 5.602 887 HE3 LYS 109 HE3 LYS 109 31.878 5.732 4.447 888 HZ1 LYS 109 HZ1 LYS 109 33.237 3.664 3.836 889 HZ2 LYS 109 HZ2 LYS 109 34.507 4.752 3.538 890 HZ3 LYS 109 HZ3 LYS 109 33.055 4.878 2.665 891 H ALA 110 H ALA 110 35.069 8.127 9.375 892 HA ALA 110 HA ALA 110 34.319 6.082 11.102 893 HB1 ALA 110 HB1 ALA 110 36.305 6.527 12.297 894 HB2 ALA 110 HB2 ALA 110 36.268 8.243 11.887 895 HB3 ALA 110 HB3 ALA 110 36.653 7.048 10.648 896 H LEU 111 H LEU 111 34.034 9.584 11.537 897 HA LEU 111 HA LEU 111 33.136 9.547 14.216 898 HB2 LEU 111 HB2 LEU 111 32.474 11.523 12.019 899 HB3 LEU 111 HB3 LEU 111 32.280 11.796 13.751 900 HG LEU 111 HG LEU 111 34.921 11.156 12.406 901 HD11 LEU 111 HD11 LEU 111 35.465 13.489 12.629 902 HD12 LEU 111 HD12 LEU 111 33.976 13.809 13.521 903 HD13 LEU 111 HD13 LEU 111 33.907 13.400 11.807 904 HD21 LEU 111 HD21 LEU 111 35.779 12.028 14.643 905 HD22 LEU 111 HD22 LEU 111 34.963 10.466 14.705 906 HD23 LEU 111 HD23 LEU 111 34.117 11.924 15.224 907 H LEU 112 H LEU 112 31.426 9.194 11.135 908 HA LEU 112 HA LEU 112 28.796 9.428 12.134 909 HB2 LEU 112 HB2 LEU 112 29.786 7.821 9.766 910 HB3 LEU 112 HB3 LEU 112 28.118 8.311 10.058 911 HG LEU 112 HG LEU 112 30.444 10.229 9.718 912 HD11 LEU 112 HD11 LEU 112 29.744 10.574 7.499 913 HD12 LEU 112 HD12 LEU 112 28.168 9.835 7.783 914 HD13 LEU 112 HD13 LEU 112 29.612 8.826 7.685 915 HD21 LEU 112 HD21 LEU 112 28.457 11.837 9.391 916 HD22 LEU 112 HD22 LEU 112 28.776 11.297 11.039 917 HD23 LEU 112 HD23 LEU 112 27.464 10.569 10.111 918 H ILE 113 H ILE 113 30.914 6.601 11.717 919 HA ILE 113 HA ILE 113 29.017 4.704 12.653 920 HB ILE 113 HB ILE 113 32.039 4.638 12.482 921 HG12 ILE 113 HG12 ILE 113 31.232 2.858 10.677 922 HG13 ILE 113 HG13 ILE 113 29.735 3.787 10.755 923 HG21 ILE 113 HG21 ILE 113 30.115 2.404 13.210 924 HG22 ILE 113 HG22 ILE 113 31.409 3.047 14.219 925 HG23 ILE 113 HG23 ILE 113 31.798 2.154 12.749 926 HD11 ILE 113 HD11 ILE 113 32.353 5.222 10.452 927 HD12 ILE 113 HD12 ILE 113 30.742 5.720 9.935 928 HD13 ILE 113 HD13 ILE 113 31.605 4.467 9.044 929 H ASN 114 H ASN 114 31.387 6.766 14.291 930 HA ASN 114 HA ASN 114 31.380 5.560 16.809 931 HB2 ASN 114 HB2 ASN 114 31.614 8.485 16.082 932 HB3 ASN 114 HB3 ASN 114 31.957 7.826 17.679 933 HD21 ASN 114 HD21 ASN 114 33.970 9.136 16.076 934 HD22 ASN 114 HD22 ASN 114 35.136 7.976 15.660 935 H ILE 115 H ILE 115 29.069 7.831 15.374 936 HA ILE 115 HA ILE 115 27.489 7.807 17.841 937 HB ILE 115 HB ILE 115 26.126 9.529 16.767 938 HG12 ILE 115 HG12 ILE 115 28.011 9.203 14.407 939 HG13 ILE 115 HG13 ILE 115 26.334 8.655 14.436 940 HG21 ILE 115 HG21 ILE 115 28.981 10.291 16.214 941 HG22 ILE 115 HG22 ILE 115 28.482 9.911 17.862 942 HG23 ILE 115 HG23 ILE 115 27.709 11.234 16.990 943 HD11 ILE 115 HD11 ILE 115 25.659 11.036 14.956 944 HD12 ILE 115 HD12 ILE 115 26.356 10.804 13.353 945 HD13 ILE 115 HD13 ILE 115 27.330 11.505 14.645 946 H TYR 116 H TYR 116 27.359 6.583 14.533 947 HA TYR 116 HA TYR 116 24.641 5.757 14.586 948 HB2 TYR 116 HB2 TYR 116 25.967 5.965 12.514 949 HB3 TYR 116 HB3 TYR 116 26.952 4.605 13.018 950 HD1 TYR 116 HD1 TYR 116 26.502 2.915 11.452 951 HD2 TYR 116 HD2 TYR 116 23.246 5.078 13.234 952 HE1 TYR 116 HE1 TYR 116 24.886 1.370 10.377 953 HE2 TYR 116 HE2 TYR 116 21.632 3.534 12.158 954 HH TYR 116 HH TYR 116 22.711 0.781 10.295 955 H LYS 117 H LYS 117 27.674 4.149 15.449 956 HA LYS 117 HA LYS 117 26.157 1.813 16.417 957 HB2 LYS 117 HB2 LYS 117 28.910 2.281 15.402 958 HB3 LYS 117 HB3 LYS 117 28.789 1.136 16.733 959 HG2 LYS 117 HG2 LYS 117 28.571 -0.168 14.759 960 HG3 LYS 117 HG3 LYS 117 26.932 -0.004 15.388 961 HD2 LYS 117 HD2 LYS 117 26.465 1.805 13.819 962 HD3 LYS 117 HD3 LYS 117 28.126 1.763 13.235 963 HE2 LYS 117 HE2 LYS 117 26.337 -0.666 13.122 964 HE3 LYS 117 HE3 LYS 117 26.388 0.519 11.818 965 HZ1 LYS 117 HZ1 LYS 117 28.064 -0.760 11.090 966 HZ2 LYS 117 HZ2 LYS 117 28.368 -1.438 12.617 967 HZ3 LYS 117 HZ3 LYS 117 28.988 0.095 12.227 Start of MODEL 11 1 H GLU 1 H GLU 1 15.624 -11.556 2.128 2 HA GLU 1 HA GLU 1 14.984 -9.311 1.686 3 HB2 GLU 1 HB2 GLU 1 12.506 -10.728 2.695 4 HB3 GLU 1 HB3 GLU 1 12.508 -9.266 1.710 5 HG2 GLU 1 HG2 GLU 1 13.730 -11.919 0.900 6 HG3 GLU 1 HG3 GLU 1 12.182 -11.303 0.334 7 H ALA 2 H ALA 2 13.212 -7.612 2.615 8 HA ALA 2 HA ALA 2 14.154 -7.012 5.344 9 HB1 ALA 2 HB1 ALA 2 13.171 -5.333 3.055 10 HB2 ALA 2 HB2 ALA 2 14.651 -5.170 4.000 11 HB3 ALA 2 HB3 ALA 2 13.100 -4.712 4.704 12 H ALA 3 H ALA 3 12.714 -6.485 6.989 13 HA ALA 3 HA ALA 3 9.843 -6.764 6.446 14 HB1 ALA 3 HB1 ALA 3 9.516 -8.408 8.160 15 HB2 ALA 3 HB2 ALA 3 11.204 -8.304 8.662 16 HB3 ALA 3 HB3 ALA 3 10.791 -9.011 7.100 17 H ALA 4 H ALA 4 8.497 -5.987 8.194 18 HA ALA 4 HA ALA 4 9.358 -3.534 9.259 19 HB1 ALA 4 HB1 ALA 4 7.023 -5.331 9.908 20 HB2 ALA 4 HB2 ALA 4 7.024 -3.831 8.980 21 HB3 ALA 4 HB3 ALA 4 7.275 -3.789 10.725 22 H ALA 5 H ALA 5 9.857 -2.893 11.373 23 HA ALA 5 HA ALA 5 10.516 -5.020 13.298 24 HB1 ALA 5 HB1 ALA 5 12.502 -4.132 11.791 25 HB2 ALA 5 HB2 ALA 5 12.736 -4.430 13.513 26 HB3 ALA 5 HB3 ALA 5 12.468 -2.787 12.931 27 H ALA 6 H ALA 6 11.087 -4.062 15.464 28 HA ALA 6 HA ALA 6 9.025 -2.463 16.440 29 HB1 ALA 6 HB1 ALA 6 11.722 -2.500 17.762 30 HB2 ALA 6 HB2 ALA 6 10.748 -3.968 17.688 31 HB3 ALA 6 HB3 ALA 6 10.121 -2.533 18.501 32 H ARG 7 H ARG 7 9.049 -0.297 17.294 33 HA ARG 7 HA ARG 7 9.830 1.634 15.449 34 HB2 ARG 7 HB2 ARG 7 9.274 1.951 18.407 35 HB3 ARG 7 HB3 ARG 7 9.348 3.276 17.246 36 HG2 ARG 7 HG2 ARG 7 7.522 2.192 15.941 37 HG3 ARG 7 HG3 ARG 7 7.407 0.949 17.187 38 HD2 ARG 7 HD2 ARG 7 6.997 2.782 18.866 39 HD3 ARG 7 HD3 ARG 7 6.907 3.916 17.523 40 HE ARG 7 HE ARG 7 5.141 1.787 17.009 41 HH11 ARG 7 HH11 ARG 7 5.437 4.472 19.252 42 HH12 ARG 7 HH12 ARG 7 3.723 4.607 19.471 43 HH21 ARG 7 HH21 ARG 7 2.945 2.008 17.332 44 HH22 ARG 7 HH22 ARG 7 2.331 3.229 18.397 45 H ASP 8 H ASP 8 11.489 0.525 18.382 46 HA ASP 8 HA ASP 8 13.566 2.439 18.367 47 HB2 ASP 8 HB2 ASP 8 13.539 -0.411 19.385 48 HB3 ASP 8 HB3 ASP 8 14.806 0.764 19.731 49 H GLU 9 H GLU 9 13.315 -0.785 16.900 50 HA GLU 9 HA GLU 9 15.940 -0.748 15.774 51 HB2 GLU 9 HB2 GLU 9 13.503 -2.403 15.088 52 HB3 GLU 9 HB3 GLU 9 15.124 -2.690 14.453 53 HG2 GLU 9 HG2 GLU 9 15.961 -2.930 16.785 54 HG3 GLU 9 HG3 GLU 9 14.316 -2.737 17.373 55 H SER 10 H SER 10 12.737 0.169 14.596 56 HA SER 10 HA SER 10 13.289 0.317 11.861 57 HB2 SER 10 HB2 SER 10 11.434 2.121 13.429 58 HB3 SER 10 HB3 SER 10 11.358 1.776 11.704 59 HG SER 10 HG SER 10 10.868 -0.317 12.238 60 H ALA 11 H ALA 11 13.820 2.697 14.430 61 HA ALA 11 HA ALA 11 14.543 4.848 12.727 62 HB1 ALA 11 HB1 ALA 11 14.998 4.228 15.633 63 HB2 ALA 11 HB2 ALA 11 13.994 5.484 14.909 64 HB3 ALA 11 HB3 ALA 11 15.751 5.637 14.885 65 H TYR 12 H TYR 12 16.414 2.277 14.286 66 HA TYR 12 HA TYR 12 18.974 3.331 13.638 67 HB2 TYR 12 HB2 TYR 12 18.159 0.475 14.185 68 HB3 TYR 12 HB3 TYR 12 19.801 1.089 14.183 69 HD1 TYR 12 HD1 TYR 12 17.704 -0.180 16.372 70 HD2 TYR 12 HD2 TYR 12 19.528 3.639 15.639 71 HE1 TYR 12 HE1 TYR 12 17.474 0.390 18.773 72 HE2 TYR 12 HE2 TYR 12 19.298 4.209 18.042 73 HH TYR 12 HH TYR 12 17.406 2.952 20.035 74 H LEU 13 H LEU 13 16.831 1.014 12.011 75 HA LEU 13 HA LEU 13 18.693 0.132 10.083 76 HB2 LEU 13 HB2 LEU 13 15.673 0.275 9.931 77 HB3 LEU 13 HB3 LEU 13 16.700 -0.618 8.810 78 HG LEU 13 HG LEU 13 16.667 -1.085 11.804 79 HD11 LEU 13 HD11 LEU 13 15.280 -3.001 11.393 80 HD12 LEU 13 HD12 LEU 13 15.426 -2.809 9.647 81 HD13 LEU 13 HD13 LEU 13 14.501 -1.639 10.588 82 HD21 LEU 13 HD21 LEU 13 17.986 -2.421 9.438 83 HD22 LEU 13 HD22 LEU 13 17.723 -3.287 10.950 84 HD23 LEU 13 HD23 LEU 13 18.736 -1.843 10.924 85 H LYS 14 H LYS 14 16.326 2.788 10.006 86 HA LYS 14 HA LYS 14 16.721 3.492 7.304 87 HB2 LYS 14 HB2 LYS 14 15.933 5.277 9.622 88 HB3 LYS 14 HB3 LYS 14 15.729 5.660 7.913 89 HG2 LYS 14 HG2 LYS 14 14.535 3.164 9.116 90 HG3 LYS 14 HG3 LYS 14 13.684 4.705 9.167 91 HD2 LYS 14 HD2 LYS 14 14.793 3.742 6.546 92 HD3 LYS 14 HD3 LYS 14 13.291 3.049 7.152 93 HE2 LYS 14 HE2 LYS 14 12.415 5.396 7.431 94 HE3 LYS 14 HE3 LYS 14 13.860 5.971 6.600 95 HZ1 LYS 14 HZ1 LYS 14 13.175 4.250 4.829 96 HZ2 LYS 14 HZ2 LYS 14 12.360 5.739 4.891 97 HZ3 LYS 14 HZ3 LYS 14 11.642 4.346 5.549 98 H LEU 15 H LEU 15 18.312 4.598 10.278 99 HA LEU 15 HA LEU 15 20.034 6.473 9.032 100 HB2 LEU 15 HB2 LEU 15 20.429 4.878 11.577 101 HB3 LEU 15 HB3 LEU 15 21.384 6.280 11.096 102 HG LEU 15 HG LEU 15 18.377 6.323 11.490 103 HD11 LEU 15 HD11 LEU 15 19.063 7.728 13.527 104 HD12 LEU 15 HD12 LEU 15 20.679 7.055 13.311 105 HD13 LEU 15 HD13 LEU 15 19.318 5.988 13.654 106 HD21 LEU 15 HD21 LEU 15 19.028 8.862 11.643 107 HD22 LEU 15 HD22 LEU 15 18.891 8.106 10.055 108 HD23 LEU 15 HD23 LEU 15 20.480 8.357 10.779 109 H GLN 16 H GLN 16 20.359 3.014 9.734 110 HA GLN 16 HA GLN 16 23.053 2.737 8.928 111 HB2 GLN 16 HB2 GLN 16 21.768 1.040 10.226 112 HB3 GLN 16 HB3 GLN 16 20.848 0.669 8.767 113 HG2 GLN 16 HG2 GLN 16 22.909 0.034 7.601 114 HG3 GLN 16 HG3 GLN 16 23.861 0.456 9.021 115 HE21 GLN 16 HE21 GLN 16 24.153 -2.126 8.141 116 HE22 GLN 16 HE22 GLN 16 23.337 -3.211 9.160 117 H GLU 17 H GLU 17 19.998 2.314 7.145 118 HA GLU 17 HA GLU 17 21.232 1.653 4.664 119 HB2 GLU 17 HB2 GLU 17 18.488 2.762 5.293 120 HB3 GLU 17 HB3 GLU 17 18.991 2.204 3.701 121 HG2 GLU 17 HG2 GLU 17 18.863 0.534 6.228 122 HG3 GLU 17 HG3 GLU 17 17.764 0.433 4.857 123 H GLN 18 H GLN 18 20.082 4.684 6.092 124 HA GLN 18 HA GLN 18 20.470 6.343 3.853 125 HB2 GLN 18 HB2 GLN 18 19.240 6.967 5.945 126 HB3 GLN 18 HB3 GLN 18 20.799 7.128 6.755 127 HG2 GLN 18 HG2 GLN 18 20.251 9.324 6.021 128 HG3 GLN 18 HG3 GLN 18 21.445 8.732 4.865 129 HE21 GLN 18 HE21 GLN 18 20.858 9.063 2.723 130 HE22 GLN 18 HE22 GLN 18 19.261 9.175 2.157 131 H MET 19 H MET 19 22.695 5.270 6.386 132 HA MET 19 HA MET 19 24.831 6.997 5.883 133 HB2 MET 19 HB2 MET 19 24.599 5.328 7.779 134 HB3 MET 19 HB3 MET 19 25.121 4.088 6.639 135 HG2 MET 19 HG2 MET 19 27.169 5.476 6.174 136 HG3 MET 19 HG3 MET 19 26.671 6.551 7.483 137 HE1 MET 19 HE1 MET 19 25.429 4.196 9.689 138 HE2 MET 19 HE2 MET 19 25.994 5.863 9.632 139 HE3 MET 19 HE3 MET 19 26.840 4.687 10.633 140 H ARG 20 H ARG 20 23.941 3.948 4.305 141 HA ARG 20 HA ARG 20 26.226 3.666 2.683 142 HB2 ARG 20 HB2 ARG 20 23.384 2.888 1.989 143 HB3 ARG 20 HB3 ARG 20 24.855 2.235 1.272 144 HG2 ARG 20 HG2 ARG 20 24.154 2.016 4.213 145 HG3 ARG 20 HG3 ARG 20 23.857 0.749 3.027 146 HD2 ARG 20 HD2 ARG 20 26.569 1.906 3.745 147 HD3 ARG 20 HD3 ARG 20 25.956 0.330 4.221 148 HE ARG 20 HE ARG 20 25.766 0.145 1.566 149 HH11 ARG 20 HH11 ARG 20 28.425 1.343 3.524 150 HH12 ARG 20 HH12 ARG 20 29.619 0.893 2.353 151 HH21 ARG 20 HH21 ARG 20 27.352 -0.411 0.098 152 HH22 ARG 20 HH22 ARG 20 29.019 -0.086 0.440 153 H LYS 21 H LYS 21 23.221 5.484 2.184 154 HA LYS 21 HA LYS 21 23.695 6.340 -0.445 155 HB2 LYS 21 HB2 LYS 21 21.556 6.656 0.797 156 HB3 LYS 21 HB3 LYS 21 22.341 7.898 1.772 157 HG2 LYS 21 HG2 LYS 21 21.218 9.084 0.047 158 HG3 LYS 21 HG3 LYS 21 22.910 9.061 -0.443 159 HD2 LYS 21 HD2 LYS 21 22.490 7.178 -1.942 160 HD3 LYS 21 HD3 LYS 21 20.812 7.093 -1.401 161 HE2 LYS 21 HE2 LYS 21 20.609 8.343 -3.361 162 HE3 LYS 21 HE3 LYS 21 20.735 9.611 -2.142 163 HZ1 LYS 21 HZ1 LYS 21 23.183 8.555 -3.374 164 HZ2 LYS 21 HZ2 LYS 21 22.878 10.098 -2.731 165 HZ3 LYS 21 HZ3 LYS 21 22.238 9.663 -4.244 166 H ILE 22 H ILE 22 24.725 7.708 2.669 167 HA ILE 22 HA ILE 22 25.997 10.009 1.649 168 HB ILE 22 HB ILE 22 26.829 8.419 4.087 169 HG12 ILE 22 HG12 ILE 22 24.423 8.906 4.200 170 HG13 ILE 22 HG13 ILE 22 25.305 9.904 5.351 171 HG21 ILE 22 HG21 ILE 22 27.369 11.172 3.036 172 HG22 ILE 22 HG22 ILE 22 28.477 10.027 3.791 173 HG23 ILE 22 HG23 ILE 22 27.323 10.920 4.780 174 HD11 ILE 22 HD11 ILE 22 23.626 11.249 4.183 175 HD12 ILE 22 HD12 ILE 22 24.306 10.784 2.624 176 HD13 ILE 22 HD13 ILE 22 25.241 11.791 3.729 177 H ASP 23 H ASP 23 27.224 6.750 2.341 178 HA ASP 23 HA ASP 23 29.898 7.189 1.585 179 HB2 ASP 23 HB2 ASP 23 28.967 5.189 2.820 180 HB3 ASP 23 HB3 ASP 23 28.374 4.600 1.269 181 H ALA 24 H ALA 24 27.058 6.209 -0.300 182 HA ALA 24 HA ALA 24 28.421 5.669 -2.721 183 HB1 ALA 24 HB1 ALA 24 26.061 4.996 -2.199 184 HB2 ALA 24 HB2 ALA 24 26.249 5.774 -3.771 185 HB3 ALA 24 HB3 ALA 24 25.586 6.681 -2.412 186 H ASP 25 H ASP 25 26.854 8.605 -1.475 187 HA ASP 25 HA ASP 25 27.330 10.234 -3.732 188 HB2 ASP 25 HB2 ASP 25 27.044 10.972 -0.810 189 HB3 ASP 25 HB3 ASP 25 27.014 12.123 -2.145 190 H ALA 26 H ALA 26 29.245 9.605 -0.812 191 HA ALA 26 HA ALA 26 31.299 11.475 -1.347 192 HB1 ALA 26 HB1 ALA 26 31.354 10.707 0.839 193 HB2 ALA 26 HB2 ALA 26 32.642 9.744 0.116 194 HB3 ALA 26 HB3 ALA 26 31.046 9.035 0.369 195 H ALA 27 H ALA 27 30.945 8.030 -2.126 196 HA ALA 27 HA ALA 27 33.463 7.729 -3.390 197 HB1 ALA 27 HB1 ALA 27 32.190 5.783 -4.561 198 HB2 ALA 27 HB2 ALA 27 30.874 6.208 -3.467 199 HB3 ALA 27 HB3 ALA 27 32.436 5.712 -2.816 200 H ALA 28 H ALA 28 30.279 8.703 -4.586 201 HA ALA 28 HA ALA 28 30.915 8.594 -7.347 202 HB1 ALA 28 HB1 ALA 28 28.855 9.700 -7.709 203 HB2 ALA 28 HB2 ALA 28 28.890 10.458 -6.117 204 HB3 ALA 28 HB3 ALA 28 28.599 8.724 -6.262 205 H LEU 29 H LEU 29 30.896 11.300 -5.015 206 HA LEU 29 HA LEU 29 31.830 13.165 -6.985 207 HB2 LEU 29 HB2 LEU 29 31.874 14.791 -5.228 208 HB3 LEU 29 HB3 LEU 29 30.421 13.819 -5.052 209 HG LEU 29 HG LEU 29 32.080 12.378 -3.476 210 HD11 LEU 29 HD11 LEU 29 34.058 13.653 -3.567 211 HD12 LEU 29 HD12 LEU 29 33.295 14.220 -2.083 212 HD13 LEU 29 HD13 LEU 29 33.182 15.181 -3.556 213 HD21 LEU 29 HD21 LEU 29 29.892 13.357 -2.817 214 HD22 LEU 29 HD22 LEU 29 30.677 14.919 -2.585 215 HD23 LEU 29 HD23 LEU 29 31.104 13.557 -1.552 216 H SER 30 H SER 30 33.379 11.148 -4.553 217 HA SER 30 HA SER 30 35.881 12.446 -4.498 218 HB2 SER 30 HB2 SER 30 36.743 10.356 -3.574 219 HB3 SER 30 HB3 SER 30 35.187 10.747 -2.850 220 HG SER 30 HG SER 30 35.312 8.597 -3.572 221 H GLU 31 H GLU 31 34.543 10.047 -6.718 222 HA GLU 31 HA GLU 31 36.947 9.314 -7.999 223 HB2 GLU 31 HB2 GLU 31 34.752 8.129 -8.234 224 HB3 GLU 31 HB3 GLU 31 34.195 9.462 -9.246 225 HG2 GLU 31 HG2 GLU 31 36.116 9.061 -10.778 226 HG3 GLU 31 HG3 GLU 31 36.579 7.676 -9.798 227 H THR 32 H THR 32 34.613 11.900 -8.664 228 HA THR 32 HA THR 32 36.201 12.896 -10.888 229 HB THR 32 HB THR 32 34.428 14.575 -11.111 230 HG1 THR 32 HG1 THR 32 32.647 14.141 -9.596 231 HG21 THR 32 HG21 THR 32 33.462 11.739 -10.661 232 HG22 THR 32 HG22 THR 32 34.077 12.413 -12.170 233 HG23 THR 32 HG23 THR 32 32.544 12.982 -11.509 234 H ARG 33 H ARG 33 35.840 13.578 -7.489 235 HA ARG 33 HA ARG 33 36.750 15.168 -6.116 236 HB2 ARG 33 HB2 ARG 33 38.749 15.298 -8.385 237 HB3 ARG 33 HB3 ARG 33 38.977 16.057 -6.808 238 HG2 ARG 33 HG2 ARG 33 38.665 13.816 -5.737 239 HG3 ARG 33 HG3 ARG 33 38.611 13.096 -7.346 240 HD2 ARG 33 HD2 ARG 33 40.927 14.656 -6.167 241 HD3 ARG 33 HD3 ARG 33 40.868 12.914 -6.414 242 HE ARG 33 HE ARG 33 40.404 14.387 -8.840 243 HH11 ARG 33 HH11 ARG 33 42.942 13.182 -6.734 244 HH12 ARG 33 HH12 ARG 33 44.118 13.150 -8.007 245 HH21 ARG 33 HH21 ARG 33 41.960 14.325 -10.434 246 HH22 ARG 33 HH22 ARG 33 43.568 13.790 -10.074 247 H THR 34 H THR 34 34.584 16.132 -7.227 248 HA THR 34 HA THR 34 35.296 18.863 -8.138 249 HB THR 34 HB THR 34 34.181 17.601 -9.919 250 HG1 THR 34 HG1 THR 34 33.291 19.434 -10.239 251 HG21 THR 34 HG21 THR 34 31.805 17.375 -8.060 252 HG22 THR 34 HG22 THR 34 32.959 16.064 -8.301 253 HG23 THR 34 HG23 THR 34 31.999 16.652 -9.658 254 H ILE 35 H ILE 35 34.546 20.516 -6.984 255 HA ILE 35 HA ILE 35 33.390 20.045 -4.429 256 HB ILE 35 HB ILE 35 34.984 21.861 -4.898 257 HG12 ILE 35 HG12 ILE 35 32.347 23.029 -3.998 258 HG13 ILE 35 HG13 ILE 35 33.250 21.881 -3.009 259 HG21 ILE 35 HG21 ILE 35 32.751 23.439 -6.145 260 HG22 ILE 35 HG22 ILE 35 33.751 22.392 -7.152 261 HG23 ILE 35 HG23 ILE 35 34.492 23.706 -6.237 262 HD11 ILE 35 HD11 ILE 35 35.250 23.405 -3.213 263 HD12 ILE 35 HD12 ILE 35 33.900 24.098 -2.316 264 HD13 ILE 35 HD13 ILE 35 34.194 24.588 -3.985 265 H GLU 36 H GLU 36 31.989 20.801 -7.540 266 HA GLU 36 HA GLU 36 29.690 22.178 -6.742 267 HB2 GLU 36 HB2 GLU 36 30.053 20.249 -9.048 268 HB3 GLU 36 HB3 GLU 36 28.691 21.354 -8.861 269 HG2 GLU 36 HG2 GLU 36 30.286 23.265 -8.816 270 HG3 GLU 36 HG3 GLU 36 31.608 22.141 -9.101 271 H GLU 37 H GLU 37 30.247 18.676 -7.032 272 HA GLU 37 HA GLU 37 27.609 17.946 -6.215 273 HB2 GLU 37 HB2 GLU 37 30.196 16.380 -6.218 274 HB3 GLU 37 HB3 GLU 37 28.605 15.687 -5.897 275 HG2 GLU 37 HG2 GLU 37 27.831 16.507 -8.113 276 HG3 GLU 37 HG3 GLU 37 29.452 17.107 -8.438 277 H LEU 38 H LEU 38 30.617 18.574 -4.498 278 HA LEU 38 HA LEU 38 30.077 17.363 -2.052 279 HB2 LEU 38 HB2 LEU 38 32.245 18.400 -2.725 280 HB3 LEU 38 HB3 LEU 38 31.524 19.987 -2.463 281 HG LEU 38 HG LEU 38 30.958 19.178 -0.098 282 HD11 LEU 38 HD11 LEU 38 31.235 16.800 -0.397 283 HD12 LEU 38 HD12 LEU 38 32.507 17.343 0.696 284 HD13 LEU 38 HD13 LEU 38 32.879 17.013 -0.996 285 HD21 LEU 38 HD21 LEU 38 33.876 19.395 -0.911 286 HD22 LEU 38 HD22 LEU 38 33.243 19.654 0.715 287 HD23 LEU 38 HD23 LEU 38 32.798 20.754 -0.589 288 H ASP 39 H ASP 39 28.952 20.465 -3.318 289 HA ASP 39 HA ASP 39 28.084 21.668 -0.963 290 HB2 ASP 39 HB2 ASP 39 26.904 21.800 -3.744 291 HB3 ASP 39 HB3 ASP 39 26.444 22.869 -2.421 292 H THR 40 H THR 40 26.429 19.295 -3.015 293 HA THR 40 HA THR 40 23.973 19.343 -1.571 294 HB THR 40 HB THR 40 23.456 17.274 -2.771 295 HG1 THR 40 HG1 THR 40 25.082 16.082 -3.223 296 HG21 THR 40 HG21 THR 40 23.374 18.229 -4.896 297 HG22 THR 40 HG22 THR 40 24.971 18.958 -4.739 298 HG23 THR 40 HG23 THR 40 23.598 19.650 -3.875 299 H PHE 41 H PHE 41 26.941 17.441 -1.268 300 HA PHE 41 HA PHE 41 25.985 15.510 0.542 301 HB2 PHE 41 HB2 PHE 41 28.094 15.205 -0.564 302 HB3 PHE 41 HB3 PHE 41 28.734 16.676 0.129 303 HD1 PHE 41 HD1 PHE 41 30.700 15.546 0.989 304 HD2 PHE 41 HD2 PHE 41 26.766 14.307 2.193 305 HE1 PHE 41 HE1 PHE 41 31.682 14.230 2.842 306 HE2 PHE 41 HE2 PHE 41 27.755 12.993 4.050 307 HZ PHE 41 HZ PHE 41 30.206 12.948 4.371 308 H LYS 42 H LYS 42 27.488 18.690 1.114 309 HA LYS 42 HA LYS 42 27.647 18.531 3.906 310 HB2 LYS 42 HB2 LYS 42 27.216 20.937 2.123 311 HB3 LYS 42 HB3 LYS 42 27.625 21.026 3.836 312 HG2 LYS 42 HG2 LYS 42 29.711 19.827 3.446 313 HG3 LYS 42 HG3 LYS 42 29.294 19.596 1.749 314 HD2 LYS 42 HD2 LYS 42 30.811 21.468 1.871 315 HD3 LYS 42 HD3 LYS 42 29.205 22.109 1.516 316 HE2 LYS 42 HE2 LYS 42 28.884 22.839 3.755 317 HE3 LYS 42 HE3 LYS 42 30.243 21.882 4.344 318 HZ1 LYS 42 HZ1 LYS 42 30.509 24.421 3.906 319 HZ2 LYS 42 HZ2 LYS 42 30.726 23.927 2.295 320 HZ3 LYS 42 HZ3 LYS 42 31.763 23.350 3.511 321 H LEU 43 H LEU 43 24.998 19.638 1.817 322 HA LEU 43 HA LEU 43 23.229 20.317 3.947 323 HB2 LEU 43 HB2 LEU 43 22.594 19.518 1.095 324 HB3 LEU 43 HB3 LEU 43 21.489 20.316 2.215 325 HG LEU 43 HG LEU 43 24.148 21.465 1.317 326 HD11 LEU 43 HD11 LEU 43 22.630 23.095 0.093 327 HD12 LEU 43 HD12 LEU 43 21.303 21.977 0.413 328 HD13 LEU 43 HD13 LEU 43 22.669 21.464 -0.578 329 HD21 LEU 43 HD21 LEU 43 23.037 23.570 2.284 330 HD22 LEU 43 HD22 LEU 43 23.584 22.368 3.453 331 HD23 LEU 43 HD23 LEU 43 21.874 22.479 3.036 332 H ASP 44 H ASP 44 23.817 17.352 2.105 333 HA ASP 44 HA ASP 44 21.607 15.862 2.980 334 HB2 ASP 44 HB2 ASP 44 24.396 14.947 2.248 335 HB3 ASP 44 HB3 ASP 44 23.013 13.874 2.451 336 H VAL 45 H VAL 45 24.818 16.311 4.426 337 HA VAL 45 HA VAL 45 24.459 14.514 6.581 338 HB VAL 45 HB VAL 45 26.184 17.000 6.431 339 HG11 VAL 45 HG11 VAL 45 26.058 14.682 8.362 340 HG12 VAL 45 HG12 VAL 45 26.107 16.408 8.722 341 HG13 VAL 45 HG13 VAL 45 27.550 15.591 8.123 342 HG21 VAL 45 HG21 VAL 45 26.968 15.645 4.704 343 HG22 VAL 45 HG22 VAL 45 26.505 14.154 5.521 344 HG23 VAL 45 HG23 VAL 45 27.925 15.051 6.057 345 H ALA 46 H ALA 46 23.659 17.948 6.177 346 HA ALA 46 HA ALA 46 23.034 18.572 8.828 347 HB1 ALA 46 HB1 ALA 46 21.960 20.474 7.989 348 HB2 ALA 46 HB2 ALA 46 21.416 19.641 6.532 349 HB3 ALA 46 HB3 ALA 46 23.114 20.083 6.714 350 H ASP 47 H ASP 47 21.000 17.159 6.285 351 HA ASP 47 HA ASP 47 18.639 16.907 7.823 352 HB2 ASP 47 HB2 ASP 47 19.653 15.243 5.507 353 HB3 ASP 47 HB3 ASP 47 18.014 15.180 6.152 354 H PHE 48 H PHE 48 21.465 14.814 7.430 355 HA PHE 48 HA PHE 48 20.411 12.584 8.850 356 HB2 PHE 48 HB2 PHE 48 22.342 12.502 7.283 357 HB3 PHE 48 HB3 PHE 48 23.295 13.384 8.461 358 HD1 PHE 48 HD1 PHE 48 23.701 12.324 10.740 359 HD2 PHE 48 HD2 PHE 48 22.074 10.160 7.405 360 HE1 PHE 48 HE1 PHE 48 24.306 10.184 11.834 361 HE2 PHE 48 HE2 PHE 48 22.679 8.018 8.502 362 HZ PHE 48 HZ PHE 48 23.795 8.030 10.716 363 H VAL 49 H VAL 49 22.443 15.337 9.810 364 HA VAL 49 HA VAL 49 23.109 14.439 12.379 365 HB VAL 49 HB VAL 49 22.796 17.259 11.322 366 HG11 VAL 49 HG11 VAL 49 23.842 16.183 13.923 367 HG12 VAL 49 HG12 VAL 49 22.882 17.631 13.619 368 HG13 VAL 49 HG13 VAL 49 24.597 17.612 13.219 369 HG21 VAL 49 HG21 VAL 49 25.404 15.845 11.784 370 HG22 VAL 49 HG22 VAL 49 25.014 17.123 10.634 371 HG23 VAL 49 HG23 VAL 49 24.481 15.471 10.330 372 H THR 50 H THR 50 20.402 16.537 11.334 373 HA THR 50 HA THR 50 19.377 17.059 13.878 374 HB THR 50 HB THR 50 18.556 18.341 12.033 375 HG1 THR 50 HG1 THR 50 17.087 17.699 13.734 376 HG21 THR 50 HG21 THR 50 17.156 17.338 10.260 377 HG22 THR 50 HG22 THR 50 17.443 15.738 10.941 378 HG23 THR 50 HG23 THR 50 18.784 16.661 10.258 379 H THR 51 H THR 51 18.801 14.314 11.729 380 HA THR 51 HA THR 51 16.684 13.154 13.199 381 HB THR 51 HB THR 51 18.752 11.720 11.519 382 HG1 THR 51 HG1 THR 51 17.802 12.640 9.931 383 HG21 THR 51 HG21 THR 51 16.986 10.073 11.203 384 HG22 THR 51 HG22 THR 51 15.863 11.052 12.147 385 HG23 THR 51 HG23 THR 51 17.254 10.306 12.931 386 H VAL 52 H VAL 52 20.208 12.766 13.416 387 HA VAL 52 HA VAL 52 19.937 10.650 15.377 388 HB VAL 52 HB VAL 52 22.407 10.635 15.380 389 HG11 VAL 52 HG11 VAL 52 22.583 9.615 13.273 390 HG12 VAL 52 HG12 VAL 52 21.476 10.763 12.520 391 HG13 VAL 52 HG13 VAL 52 20.854 9.521 13.607 392 HG21 VAL 52 HG21 VAL 52 23.638 12.075 13.854 393 HG22 VAL 52 HG22 VAL 52 22.696 13.088 14.945 394 HG23 VAL 52 HG23 VAL 52 22.143 12.818 13.292 395 H VAL 53 H VAL 53 20.707 14.097 15.412 396 HA VAL 53 HA VAL 53 21.866 14.196 17.978 397 HB VAL 53 HB VAL 53 20.288 16.295 16.467 398 HG11 VAL 53 HG11 VAL 53 20.437 16.754 18.936 399 HG12 VAL 53 HG12 VAL 53 21.287 17.941 17.949 400 HG13 VAL 53 HG13 VAL 53 22.194 16.688 18.794 401 HG21 VAL 53 HG21 VAL 53 22.568 15.213 15.629 402 HG22 VAL 53 HG22 VAL 53 23.269 16.292 16.829 403 HG23 VAL 53 HG23 VAL 53 22.297 16.950 15.514 404 H GLN 54 H GLN 54 18.480 14.876 17.011 405 HA GLN 54 HA GLN 54 17.460 15.120 19.615 406 HB2 GLN 54 HB2 GLN 54 16.277 14.480 16.942 407 HB3 GLN 54 HB3 GLN 54 15.286 14.231 18.378 408 HG2 GLN 54 HG2 GLN 54 14.822 16.458 17.729 409 HG3 GLN 54 HG3 GLN 54 15.976 16.622 19.050 410 HE21 GLN 54 HE21 GLN 54 17.812 17.859 18.602 411 HE22 GLN 54 HE22 GLN 54 18.336 18.276 17.042 412 H LEU 55 H LEU 55 17.962 12.255 17.598 413 HA LEU 55 HA LEU 55 16.665 10.362 19.221 414 HB2 LEU 55 HB2 LEU 55 17.555 9.982 16.903 415 HB3 LEU 55 HB3 LEU 55 19.179 9.934 17.590 416 HG LEU 55 HG LEU 55 18.198 8.129 19.191 417 HD11 LEU 55 HD11 LEU 55 15.834 8.600 18.442 418 HD12 LEU 55 HD12 LEU 55 16.300 6.902 18.329 419 HD13 LEU 55 HD13 LEU 55 16.253 7.903 16.877 420 HD21 LEU 55 HD21 LEU 55 18.728 6.377 17.555 421 HD22 LEU 55 HD22 LEU 55 19.859 7.719 17.383 422 HD23 LEU 55 HD23 LEU 55 18.535 7.529 16.235 423 H ALA 56 H ALA 56 19.976 11.619 19.292 424 HA ALA 56 HA ALA 56 20.919 10.044 21.468 425 HB1 ALA 56 HB1 ALA 56 22.764 11.587 21.519 426 HB2 ALA 56 HB2 ALA 56 21.847 12.778 20.593 427 HB3 ALA 56 HB3 ALA 56 22.348 11.269 19.835 428 H GLU 57 H GLU 57 19.298 13.181 21.272 429 HA GLU 57 HA GLU 57 19.726 13.898 23.992 430 HB2 GLU 57 HB2 GLU 57 17.728 14.871 21.950 431 HB3 GLU 57 HB3 GLU 57 17.923 15.583 23.552 432 HG2 GLU 57 HG2 GLU 57 20.317 16.003 23.050 433 HG3 GLU 57 HG3 GLU 57 20.080 15.357 21.435 434 H GLU 58 H GLU 58 17.158 12.068 22.378 435 HA GLU 58 HA GLU 58 15.595 12.150 24.896 436 HB2 GLU 58 HB2 GLU 58 14.638 11.921 22.038 437 HB3 GLU 58 HB3 GLU 58 13.601 11.816 23.458 438 HG2 GLU 58 HG2 GLU 58 15.293 14.197 22.647 439 HG3 GLU 58 HG3 GLU 58 13.540 14.084 22.544 440 H LEU 59 H LEU 59 15.212 9.940 22.096 441 HA LEU 59 HA LEU 59 14.210 7.921 23.724 442 HB2 LEU 59 HB2 LEU 59 15.603 7.592 21.057 443 HB3 LEU 59 HB3 LEU 59 14.521 6.422 21.810 444 HG LEU 59 HG LEU 59 13.735 9.249 21.038 445 HD11 LEU 59 HD11 LEU 59 14.236 7.416 19.208 446 HD12 LEU 59 HD12 LEU 59 12.779 8.400 19.090 447 HD13 LEU 59 HD13 LEU 59 12.684 6.757 19.725 448 HD21 LEU 59 HD21 LEU 59 12.262 6.899 22.240 449 HD22 LEU 59 HD22 LEU 59 11.409 8.176 21.373 450 HD23 LEU 59 HD23 LEU 59 12.331 8.561 22.826 451 H GLU 60 H GLU 60 17.545 8.362 22.567 452 HA GLU 60 HA GLU 60 18.521 5.929 23.658 453 HB2 GLU 60 HB2 GLU 60 19.954 8.496 22.945 454 HB3 GLU 60 HB3 GLU 60 20.763 6.996 23.386 455 HG2 GLU 60 HG2 GLU 60 18.909 7.400 21.025 456 HG3 GLU 60 HG3 GLU 60 20.657 7.207 20.950 457 H HIS 61 H HIS 61 18.184 9.185 24.976 458 HA HIS 61 HA HIS 61 19.811 8.603 27.289 459 HB2 HIS 61 HB2 HIS 61 19.722 10.849 26.295 460 HB3 HIS 61 HB3 HIS 61 18.021 10.960 26.710 461 HD1 HIS 61 HD1 HIS 61 21.321 10.336 28.529 462 HD2 HIS 61 HD2 HIS 61 17.645 12.203 29.140 463 HE1 HIS 61 HE1 HIS 61 21.453 11.447 30.799 464 H ARG 62 H ARG 62 16.319 9.196 26.752 465 HA ARG 62 HA ARG 62 15.566 9.173 29.447 466 HB2 ARG 62 HB2 ARG 62 13.933 8.237 27.076 467 HB3 ARG 62 HB3 ARG 62 13.298 8.716 28.649 468 HG2 ARG 62 HG2 ARG 62 14.919 10.545 26.858 469 HG3 ARG 62 HG3 ARG 62 13.159 10.523 26.904 470 HD2 ARG 62 HD2 ARG 62 13.272 11.023 29.355 471 HD3 ARG 62 HD3 ARG 62 15.021 11.177 29.203 472 HE ARG 62 HE ARG 62 13.975 12.861 27.285 473 HH11 ARG 62 HH11 ARG 62 13.700 12.611 30.775 474 HH12 ARG 62 HH12 ARG 62 13.442 14.312 30.976 475 HH21 ARG 62 HH21 ARG 62 13.641 15.041 27.604 476 HH22 ARG 62 HH22 ARG 62 13.408 15.670 29.201 477 H PHE 63 H PHE 63 15.625 6.466 27.120 478 HA PHE 63 HA PHE 63 14.816 4.484 28.966 479 HB2 PHE 63 HB2 PHE 63 16.251 4.433 26.346 480 HB3 PHE 63 HB3 PHE 63 16.137 2.968 27.301 481 HD1 PHE 63 HD1 PHE 63 14.345 5.350 25.188 482 HD2 PHE 63 HD2 PHE 63 13.923 1.963 27.794 483 HE1 PHE 63 HE1 PHE 63 12.069 4.945 24.293 484 HE2 PHE 63 HE2 PHE 63 11.647 1.559 26.901 485 HZ PHE 63 HZ PHE 63 10.719 3.049 25.149 486 H GLY 64 H GLY 64 17.918 6.007 28.435 487 HA2 GLY 64 HA2 GLY 64 19.653 5.933 30.068 488 HA3 GLY 64 HA3 GLY 64 19.043 4.377 30.607 489 H ARG 65 H ARG 65 19.100 4.277 27.262 490 HA ARG 65 HA ARG 65 21.176 2.402 27.082 491 HB2 ARG 65 HB2 ARG 65 20.032 4.199 24.932 492 HB3 ARG 65 HB3 ARG 65 21.019 2.766 24.643 493 HG2 ARG 65 HG2 ARG 65 19.324 1.397 25.858 494 HG3 ARG 65 HG3 ARG 65 18.318 2.837 26.017 495 HD2 ARG 65 HD2 ARG 65 18.381 3.051 23.502 496 HD3 ARG 65 HD3 ARG 65 19.172 1.478 23.451 497 HE ARG 65 HE ARG 65 16.984 0.920 24.900 498 HH11 ARG 65 HH11 ARG 65 17.297 2.691 21.886 499 HH12 ARG 65 HH12 ARG 65 15.704 2.267 21.355 500 HH21 ARG 65 HH21 ARG 65 14.942 0.402 24.162 501 HH22 ARG 65 HH22 ARG 65 14.387 0.990 22.629 502 H ASN 66 H ASN 66 21.185 5.913 26.655 503 HA ASN 66 HA ASN 66 24.075 5.825 26.052 504 HB2 ASN 66 HB2 ASN 66 22.574 6.993 24.441 505 HB3 ASN 66 HB3 ASN 66 22.148 8.132 25.721 506 HD21 ASN 66 HD21 ASN 66 25.005 6.839 23.964 507 HD22 ASN 66 HD22 ASN 66 25.923 8.257 24.112 508 H ARG 67 H ARG 67 25.496 6.477 27.530 509 HA ARG 67 HA ARG 67 24.500 7.898 29.921 510 HB2 ARG 67 HB2 ARG 67 27.069 6.345 29.562 511 HB3 ARG 67 HB3 ARG 67 26.483 7.063 31.061 512 HG2 ARG 67 HG2 ARG 67 24.976 4.956 29.490 513 HG3 ARG 67 HG3 ARG 67 26.011 4.602 30.872 514 HD2 ARG 67 HD2 ARG 67 24.604 6.158 32.249 515 HD3 ARG 67 HD3 ARG 67 23.517 6.324 30.874 516 HE ARG 67 HE ARG 67 23.998 3.583 31.649 517 HH11 ARG 67 HH11 ARG 67 21.969 6.394 32.203 518 HH12 ARG 67 HH12 ARG 67 20.673 5.453 32.863 519 HH21 ARG 67 HH21 ARG 67 22.295 2.424 32.503 520 HH22 ARG 67 HH22 ARG 67 20.857 3.233 33.030 521 H ARG 68 H ARG 68 25.595 8.974 27.141 522 HA ARG 68 HA ARG 68 27.795 10.624 28.096 523 HB2 ARG 68 HB2 ARG 68 26.387 10.446 25.429 524 HB3 ARG 68 HB3 ARG 68 27.719 11.554 25.758 525 HG2 ARG 68 HG2 ARG 68 29.106 9.578 26.456 526 HG3 ARG 68 HG3 ARG 68 27.794 8.528 25.925 527 HD2 ARG 68 HD2 ARG 68 29.342 10.473 24.191 528 HD3 ARG 68 HD3 ARG 68 29.473 8.718 24.164 529 HE ARG 68 HE ARG 68 26.832 9.866 23.635 530 HH11 ARG 68 HH11 ARG 68 29.747 8.459 22.263 531 HH12 ARG 68 HH12 ARG 68 28.946 8.003 20.800 532 HH21 ARG 68 HH21 ARG 68 25.868 9.254 21.733 533 HH22 ARG 68 HH22 ARG 68 26.783 8.447 20.503 534 H GLY 69 H GLY 69 27.738 12.944 28.015 535 HA2 GLY 69 HA2 GLY 69 25.331 13.941 29.243 536 HA3 GLY 69 HA3 GLY 69 26.823 14.837 28.982 537 H ARG 70 H ARG 70 24.443 16.078 28.601 538 HA ARG 70 HA ARG 70 23.302 16.029 26.042 539 HB2 ARG 70 HB2 ARG 70 22.718 17.323 28.279 540 HB3 ARG 70 HB3 ARG 70 23.657 18.604 27.523 541 HG2 ARG 70 HG2 ARG 70 21.383 17.204 26.105 542 HG3 ARG 70 HG3 ARG 70 21.146 18.650 27.082 543 HD2 ARG 70 HD2 ARG 70 22.888 19.791 25.665 544 HD3 ARG 70 HD3 ARG 70 22.875 18.378 24.614 545 HE ARG 70 HE ARG 70 20.292 18.964 24.611 546 HH11 ARG 70 HH11 ARG 70 23.015 21.162 24.301 547 HH12 ARG 70 HH12 ARG 70 22.099 22.324 23.404 548 HH21 ARG 70 HH21 ARG 70 19.168 20.502 23.449 549 HH22 ARG 70 HH22 ARG 70 19.952 21.955 22.927 550 H THR 71 H THR 71 25.993 17.968 27.329 551 HA THR 71 HA THR 71 26.469 19.487 25.011 552 HB THR 71 HB THR 71 27.382 20.116 27.188 553 HG1 THR 71 HG1 THR 71 29.152 20.844 26.295 554 HG21 THR 71 HG21 THR 71 27.842 17.716 27.882 555 HG22 THR 71 HG22 THR 71 29.119 18.869 28.269 556 HG23 THR 71 HG23 THR 71 29.294 17.792 26.884 557 H GLU 72 H GLU 72 27.632 16.297 25.977 558 HA GLU 72 HA GLU 72 29.764 16.093 24.162 559 HB2 GLU 72 HB2 GLU 72 28.029 13.928 25.360 560 HB3 GLU 72 HB3 GLU 72 29.539 13.640 24.492 561 HG2 GLU 72 HG2 GLU 72 30.712 15.135 26.106 562 HG3 GLU 72 HG3 GLU 72 29.212 15.299 27.006 563 H ILE 73 H ILE 73 26.303 15.532 23.694 564 HA ILE 73 HA ILE 73 26.446 14.292 21.173 565 HB ILE 73 HB ILE 73 24.409 15.749 22.772 566 HG12 ILE 73 HG12 ILE 73 23.019 13.803 21.990 567 HG13 ILE 73 HG13 ILE 73 24.439 13.216 21.129 568 HG21 ILE 73 HG21 ILE 73 24.151 16.870 20.515 569 HG22 ILE 73 HG22 ILE 73 22.738 15.962 21.053 570 HG23 ILE 73 HG23 ILE 73 23.818 15.275 19.839 571 HD11 ILE 73 HD11 ILE 73 24.439 13.808 24.096 572 HD12 ILE 73 HD12 ILE 73 25.646 12.909 23.173 573 HD13 ILE 73 HD13 ILE 73 24.038 12.223 23.428 574 H TYR 74 H TYR 74 26.152 17.771 21.959 575 HA TYR 74 HA TYR 74 26.218 18.602 19.254 576 HB2 TYR 74 HB2 TYR 74 26.670 20.052 21.847 577 HB3 TYR 74 HB3 TYR 74 26.767 20.862 20.294 578 HD1 TYR 74 HD1 TYR 74 24.465 18.459 22.041 579 HD2 TYR 74 HD2 TYR 74 24.854 21.987 19.623 580 HE1 TYR 74 HE1 TYR 74 22.004 18.735 22.048 581 HE2 TYR 74 HE2 TYR 74 22.390 22.264 19.629 582 HH TYR 74 HH TYR 74 20.323 20.145 20.203 583 H LYS 75 H LYS 75 28.785 18.121 21.636 584 HA LYS 75 HA LYS 75 30.812 19.563 20.346 585 HB2 LYS 75 HB2 LYS 75 30.999 18.620 22.638 586 HB3 LYS 75 HB3 LYS 75 31.138 17.008 21.936 587 HG2 LYS 75 HG2 LYS 75 33.377 17.725 22.324 588 HG3 LYS 75 HG3 LYS 75 33.125 17.925 20.593 589 HD2 LYS 75 HD2 LYS 75 32.685 20.312 20.896 590 HD3 LYS 75 HD3 LYS 75 32.819 20.136 22.646 591 HE2 LYS 75 HE2 LYS 75 35.085 19.287 20.858 592 HE3 LYS 75 HE3 LYS 75 34.896 20.979 21.316 593 HZ1 LYS 75 HZ1 LYS 75 36.047 20.366 23.118 594 HZ2 LYS 75 HZ2 LYS 75 35.708 18.714 22.912 595 HZ3 LYS 75 HZ3 LYS 75 34.573 19.729 23.665 596 H ILE 76 H ILE 76 29.726 16.214 19.888 597 HA ILE 76 HA ILE 76 31.676 15.446 18.006 598 HB ILE 76 HB ILE 76 28.785 14.548 18.190 599 HG12 ILE 76 HG12 ILE 76 31.269 13.276 19.368 600 HG13 ILE 76 HG13 ILE 76 30.199 14.334 20.286 601 HG21 ILE 76 HG21 ILE 76 29.582 12.521 17.064 602 HG22 ILE 76 HG22 ILE 76 31.219 13.173 17.003 603 HG23 ILE 76 HG23 ILE 76 29.932 13.929 16.062 604 HD11 ILE 76 HD11 ILE 76 29.547 11.657 19.045 605 HD12 ILE 76 HD12 ILE 76 28.292 12.778 19.572 606 HD13 ILE 76 HD13 ILE 76 29.437 12.121 20.742 607 H VAL 77 H VAL 77 28.599 17.168 17.629 608 HA VAL 77 HA VAL 77 28.412 17.106 14.834 609 HB VAL 77 HB VAL 77 27.559 19.359 16.674 610 HG11 VAL 77 HG11 VAL 77 25.885 19.795 14.912 611 HG12 VAL 77 HG12 VAL 77 26.580 18.502 13.934 612 HG13 VAL 77 HG13 VAL 77 27.525 19.949 14.283 613 HG21 VAL 77 HG21 VAL 77 26.665 17.165 17.394 614 HG22 VAL 77 HG22 VAL 77 26.059 16.881 15.763 615 HG23 VAL 77 HG23 VAL 77 25.387 18.188 16.739 616 H LYS 78 H LYS 78 30.049 19.421 16.984 617 HA LYS 78 HA LYS 78 31.056 21.135 14.989 618 HB2 LYS 78 HB2 LYS 78 32.344 20.392 17.629 619 HB3 LYS 78 HB3 LYS 78 32.708 21.816 16.658 620 HG2 LYS 78 HG2 LYS 78 29.990 21.194 17.848 621 HG3 LYS 78 HG3 LYS 78 31.158 22.318 18.544 622 HD2 LYS 78 HD2 LYS 78 31.116 23.582 16.358 623 HD3 LYS 78 HD3 LYS 78 29.778 22.549 15.857 624 HE2 LYS 78 HE2 LYS 78 29.608 23.957 18.499 625 HE3 LYS 78 HE3 LYS 78 29.286 24.863 17.021 626 HZ1 LYS 78 HZ1 LYS 78 27.258 24.005 17.077 627 HZ2 LYS 78 HZ2 LYS 78 27.659 22.944 18.343 628 HZ3 LYS 78 HZ3 LYS 78 27.938 22.489 16.729 629 H GLU 79 H GLU 79 32.342 18.126 16.365 630 HA GLU 79 HA GLU 79 34.828 18.172 15.010 631 HB2 GLU 79 HB2 GLU 79 33.190 15.833 16.018 632 HB3 GLU 79 HB3 GLU 79 34.867 15.730 15.479 633 HG2 GLU 79 HG2 GLU 79 33.867 17.476 17.745 634 HG3 GLU 79 HG3 GLU 79 34.700 15.940 17.944 635 H VAL 80 H VAL 80 31.659 16.831 14.155 636 HA VAL 80 HA VAL 80 32.490 15.543 11.768 637 HB VAL 80 HB VAL 80 29.768 16.628 12.551 638 HG11 VAL 80 HG11 VAL 80 29.833 16.233 10.154 639 HG12 VAL 80 HG12 VAL 80 28.939 14.916 10.913 640 HG13 VAL 80 HG13 VAL 80 30.606 14.667 10.393 641 HG21 VAL 80 HG21 VAL 80 31.006 14.810 13.982 642 HG22 VAL 80 HG22 VAL 80 30.630 13.746 12.630 643 HG23 VAL 80 HG23 VAL 80 29.329 14.538 13.517 644 H ASP 81 H ASP 81 31.199 18.780 12.449 645 HA ASP 81 HA ASP 81 30.904 19.651 9.799 646 HB2 ASP 81 HB2 ASP 81 30.044 20.815 11.853 647 HB3 ASP 81 HB3 ASP 81 31.689 21.367 12.160 648 H ARG 82 H ARG 82 33.713 19.760 11.969 649 HA ARG 82 HA ARG 82 35.351 21.387 10.364 650 HB2 ARG 82 HB2 ARG 82 35.808 20.791 12.745 651 HB3 ARG 82 HB3 ARG 82 36.255 19.168 12.212 652 HG2 ARG 82 HG2 ARG 82 37.993 20.147 10.741 653 HG3 ARG 82 HG3 ARG 82 37.574 21.754 11.333 654 HD2 ARG 82 HD2 ARG 82 38.108 20.987 13.650 655 HD3 ARG 82 HD3 ARG 82 38.647 19.450 12.981 656 HE ARG 82 HE ARG 82 39.962 21.626 11.694 657 HH11 ARG 82 HH11 ARG 82 40.002 19.796 14.688 658 HH12 ARG 82 HH12 ARG 82 41.670 20.146 14.997 659 HH21 ARG 82 HH21 ARG 82 42.108 22.046 12.145 660 HH22 ARG 82 HH22 ARG 82 42.846 21.404 13.574 661 H LYS 83 H LYS 83 34.967 17.851 10.465 662 HA LYS 83 HA LYS 83 36.963 17.234 8.570 663 HB2 LYS 83 HB2 LYS 83 34.386 15.741 9.119 664 HB3 LYS 83 HB3 LYS 83 35.817 15.090 8.320 665 HG2 LYS 83 HG2 LYS 83 35.775 16.167 11.153 666 HG3 LYS 83 HG3 LYS 83 35.689 14.456 10.732 667 HD2 LYS 83 HD2 LYS 83 37.877 14.737 9.504 668 HD3 LYS 83 HD3 LYS 83 37.978 16.365 10.180 669 HE2 LYS 83 HE2 LYS 83 37.677 13.859 11.855 670 HE3 LYS 83 HE3 LYS 83 39.222 14.641 11.521 671 HZ1 LYS 83 HZ1 LYS 83 38.695 15.706 13.428 672 HZ2 LYS 83 HZ2 LYS 83 37.020 15.516 13.220 673 HZ3 LYS 83 HZ3 LYS 83 37.852 16.724 12.364 674 H LEU 84 H LEU 84 33.521 18.007 8.186 675 HA LEU 84 HA LEU 84 33.416 17.602 5.381 676 HB2 LEU 84 HB2 LEU 84 31.774 19.466 7.116 677 HB3 LEU 84 HB3 LEU 84 31.371 18.973 5.472 678 HG LEU 84 HG LEU 84 31.719 17.060 7.798 679 HD11 LEU 84 HD11 LEU 84 29.724 18.583 7.980 680 HD12 LEU 84 HD12 LEU 84 29.300 16.879 7.811 681 HD13 LEU 84 HD13 LEU 84 29.171 17.961 6.425 682 HD21 LEU 84 HD21 LEU 84 30.482 15.549 6.124 683 HD22 LEU 84 HD22 LEU 84 32.174 15.899 5.769 684 HD23 LEU 84 HD23 LEU 84 30.895 16.754 4.905 685 H LEU 85 H LEU 85 34.141 20.453 7.370 686 HA LEU 85 HA LEU 85 34.457 22.275 5.218 687 HB2 LEU 85 HB2 LEU 85 34.198 22.935 7.610 688 HB3 LEU 85 HB3 LEU 85 35.820 22.319 7.922 689 HG LEU 85 HG LEU 85 36.641 23.887 6.092 690 HD11 LEU 85 HD11 LEU 85 33.791 24.852 6.409 691 HD12 LEU 85 HD12 LEU 85 34.605 24.364 4.923 692 HD13 LEU 85 HD13 LEU 85 35.068 25.862 5.732 693 HD21 LEU 85 HD21 LEU 85 36.433 25.917 7.596 694 HD22 LEU 85 HD22 LEU 85 37.027 24.465 8.401 695 HD23 LEU 85 HD23 LEU 85 35.350 24.966 8.612 696 H ASP 86 H ASP 86 36.747 20.228 6.999 697 HA ASP 86 HA ASP 86 39.067 20.960 5.563 698 HB2 ASP 86 HB2 ASP 86 38.346 18.413 7.019 699 HB3 ASP 86 HB3 ASP 86 39.951 18.753 6.376 700 H LEU 87 H LEU 87 36.602 18.482 4.990 701 HA LEU 87 HA LEU 87 37.825 17.106 2.886 702 HB2 LEU 87 HB2 LEU 87 35.725 16.413 4.028 703 HB3 LEU 87 HB3 LEU 87 34.875 17.716 3.197 704 HG LEU 87 HG LEU 87 35.685 16.708 1.014 705 HD11 LEU 87 HD11 LEU 87 36.275 14.237 1.226 706 HD12 LEU 87 HD12 LEU 87 36.519 14.534 2.948 707 HD13 LEU 87 HD13 LEU 87 37.524 15.361 1.758 708 HD21 LEU 87 HD21 LEU 87 34.068 14.678 2.534 709 HD22 LEU 87 HD22 LEU 87 33.830 15.285 0.896 710 HD23 LEU 87 HD23 LEU 87 33.415 16.296 2.280 711 H THR 88 H THR 88 35.854 20.060 2.854 712 HA THR 88 HA THR 88 35.790 20.437 0.061 713 HB THR 88 HB THR 88 35.847 22.577 2.204 714 HG1 THR 88 HG1 THR 88 34.233 20.917 2.393 715 HG21 THR 88 HG21 THR 88 34.594 22.569 -0.554 716 HG22 THR 88 HG22 THR 88 36.152 23.306 -0.180 717 HG23 THR 88 HG23 THR 88 34.681 23.928 0.567 718 H ASP 89 H ASP 89 38.110 21.483 2.532 719 HA ASP 89 HA ASP 89 39.783 23.029 0.893 720 HB2 ASP 89 HB2 ASP 89 40.459 21.367 3.329 721 HB3 ASP 89 HB3 ASP 89 41.528 22.565 2.604 722 H ALA 90 H ALA 90 39.719 19.539 1.502 723 HA ALA 90 HA ALA 90 42.141 18.883 0.223 724 HB1 ALA 90 HB1 ALA 90 39.659 17.160 0.276 725 HB2 ALA 90 HB2 ALA 90 40.721 17.362 1.670 726 HB3 ALA 90 HB3 ALA 90 41.338 16.629 0.190 727 H VAL 91 H VAL 91 38.824 19.164 -1.017 728 HA VAL 91 HA VAL 91 39.427 18.419 -3.691 729 HB VAL 91 HB VAL 91 37.217 20.217 -2.656 730 HG11 VAL 91 HG11 VAL 91 36.061 19.682 -4.715 731 HG12 VAL 91 HG12 VAL 91 37.343 18.572 -5.199 732 HG13 VAL 91 HG13 VAL 91 37.656 20.306 -5.136 733 HG21 VAL 91 HG21 VAL 91 37.320 17.224 -3.142 734 HG22 VAL 91 HG22 VAL 91 35.866 18.128 -2.721 735 HG23 VAL 91 HG23 VAL 91 37.198 18.017 -1.571 736 H LEU 92 H LEU 92 39.263 21.553 -2.032 737 HA LEU 92 HA LEU 92 39.888 23.147 -4.291 738 HB2 LEU 92 HB2 LEU 92 40.285 23.695 -1.344 739 HB3 LEU 92 HB3 LEU 92 40.415 24.901 -2.624 740 HG LEU 92 HG LEU 92 37.934 23.232 -2.136 741 HD11 LEU 92 HD11 LEU 92 38.402 24.728 -0.218 742 HD12 LEU 92 HD12 LEU 92 36.987 25.268 -1.122 743 HD13 LEU 92 HD13 LEU 92 38.531 26.094 -1.324 744 HD21 LEU 92 HD21 LEU 92 38.633 25.569 -3.920 745 HD22 LEU 92 HD22 LEU 92 36.961 25.189 -3.505 746 HD23 LEU 92 HD23 LEU 92 37.943 24.014 -4.381 747 H ALA 93 H ALA 93 41.904 21.304 -2.102 748 HA ALA 93 HA ALA 93 44.315 22.631 -2.181 749 HB1 ALA 93 HB1 ALA 93 44.050 20.658 -0.831 750 HB2 ALA 93 HB2 ALA 93 45.367 20.365 -1.965 751 HB3 ALA 93 HB3 ALA 93 43.780 19.658 -2.259 752 H LYS 94 H LYS 94 46.128 22.631 -3.503 753 HA LYS 94 HA LYS 94 45.677 22.826 -6.257 754 HB2 LYS 94 HB2 LYS 94 48.301 22.314 -4.828 755 HB3 LYS 94 HB3 LYS 94 48.124 22.926 -6.470 756 HG2 LYS 94 HG2 LYS 94 46.871 24.336 -4.114 757 HG3 LYS 94 HG3 LYS 94 48.528 24.660 -4.606 758 HD2 LYS 94 HD2 LYS 94 46.434 24.721 -6.746 759 HD3 LYS 94 HD3 LYS 94 46.442 26.046 -5.587 760 HE2 LYS 94 HE2 LYS 94 48.828 25.150 -7.232 761 HE3 LYS 94 HE3 LYS 94 47.836 26.571 -7.558 762 HZ1 LYS 94 HZ1 LYS 94 49.587 27.426 -6.347 763 HZ2 LYS 94 HZ2 LYS 94 49.687 26.078 -5.318 764 HZ3 LYS 94 HZ3 LYS 94 48.414 27.189 -5.144 765 H GLU 95 H GLU 95 47.402 20.270 -4.467 766 HA GLU 95 HA GLU 95 47.607 18.567 -6.762 767 HB2 GLU 95 HB2 GLU 95 48.086 18.041 -3.826 768 HB3 GLU 95 HB3 GLU 95 48.438 16.889 -5.116 769 HG2 GLU 95 HG2 GLU 95 49.913 18.591 -6.185 770 HG3 GLU 95 HG3 GLU 95 49.616 19.666 -4.827 771 H LYS 96 H LYS 96 45.230 18.955 -4.235 772 HA LYS 96 HA LYS 96 43.439 17.708 -3.568 773 HB2 LYS 96 HB2 LYS 96 41.787 17.379 -5.294 774 HB3 LYS 96 HB3 LYS 96 42.614 18.910 -5.535 775 HG2 LYS 96 HG2 LYS 96 44.045 17.838 -7.264 776 HG3 LYS 96 HG3 LYS 96 43.138 16.339 -7.066 777 HD2 LYS 96 HD2 LYS 96 41.044 17.703 -7.572 778 HD3 LYS 96 HD3 LYS 96 42.126 19.007 -8.061 779 HE2 LYS 96 HE2 LYS 96 43.258 17.278 -9.587 780 HE3 LYS 96 HE3 LYS 96 41.851 16.259 -9.286 781 HZ1 LYS 96 HZ1 LYS 96 40.821 17.382 -10.874 782 HZ2 LYS 96 HZ2 LYS 96 42.106 18.484 -11.019 783 HZ3 LYS 96 HZ3 LYS 96 40.866 18.764 -9.892 784 H LYS 97 H LYS 97 45.506 16.137 -3.228 785 HA LYS 97 HA LYS 97 45.778 13.767 -4.643 786 HB2 LYS 97 HB2 LYS 97 47.263 14.644 -2.809 787 HB3 LYS 97 HB3 LYS 97 46.067 14.071 -1.649 788 HG2 LYS 97 HG2 LYS 97 46.307 11.776 -2.557 789 HG3 LYS 97 HG3 LYS 97 47.548 12.361 -3.669 790 HD2 LYS 97 HD2 LYS 97 48.846 13.183 -1.674 791 HD3 LYS 97 HD3 LYS 97 47.671 12.368 -0.641 792 HE2 LYS 97 HE2 LYS 97 49.057 10.866 -2.850 793 HE3 LYS 97 HE3 LYS 97 49.846 11.091 -1.288 794 HZ1 LYS 97 HZ1 LYS 97 47.251 9.766 -1.827 795 HZ2 LYS 97 HZ2 LYS 97 47.776 10.184 -0.266 796 HZ3 LYS 97 HZ3 LYS 97 48.659 9.065 -1.190 797 H GLY 98 H GLY 98 44.727 11.862 -4.717 798 HA2 GLY 98 HA2 GLY 98 41.980 11.824 -4.158 799 HA3 GLY 98 HA3 GLY 98 42.942 10.430 -4.628 800 H GLU 99 H GLU 99 44.691 10.325 -2.386 801 HA GLU 99 HA GLU 99 43.101 8.727 -0.696 802 HB2 GLU 99 HB2 GLU 99 45.851 9.887 -0.214 803 HB3 GLU 99 HB3 GLU 99 45.094 8.647 0.786 804 HG2 GLU 99 HG2 GLU 99 44.865 7.216 -1.254 805 HG3 GLU 99 HG3 GLU 99 45.755 8.429 -2.162 806 H ASP 100 H ASP 100 44.140 12.093 -0.412 807 HA ASP 100 HA ASP 100 43.462 12.533 2.271 808 HB2 ASP 100 HB2 ASP 100 43.352 14.398 -0.106 809 HB3 ASP 100 HB3 ASP 100 43.140 14.920 1.562 810 H ILE 101 H ILE 101 41.455 12.598 -0.650 811 HA ILE 101 HA ILE 101 39.114 13.649 0.497 812 HB ILE 101 HB ILE 101 39.316 11.608 -1.731 813 HG12 ILE 101 HG12 ILE 101 40.731 13.551 -2.209 814 HG13 ILE 101 HG13 ILE 101 39.309 13.559 -3.245 815 HG21 ILE 101 HG21 ILE 101 37.154 13.496 -0.808 816 HG22 ILE 101 HG22 ILE 101 37.041 11.764 -1.126 817 HG23 ILE 101 HG23 ILE 101 37.204 12.897 -2.466 818 HD11 ILE 101 HD11 ILE 101 40.188 15.545 -1.319 819 HD12 ILE 101 HD12 ILE 101 38.539 15.037 -0.966 820 HD13 ILE 101 HD13 ILE 101 38.945 15.671 -2.558 821 H LEU 102 H LEU 102 40.128 10.254 0.065 822 HA LEU 102 HA LEU 102 37.764 9.144 1.168 823 HB2 LEU 102 HB2 LEU 102 40.522 7.918 0.949 824 HB3 LEU 102 HB3 LEU 102 39.018 7.040 1.220 825 HG LEU 102 HG LEU 102 39.587 8.761 -1.212 826 HD11 LEU 102 HD11 LEU 102 40.016 6.755 -2.413 827 HD12 LEU 102 HD12 LEU 102 39.398 5.746 -1.105 828 HD13 LEU 102 HD13 LEU 102 40.938 6.585 -0.919 829 HD21 LEU 102 HD21 LEU 102 37.250 8.691 -0.987 830 HD22 LEU 102 HD22 LEU 102 37.271 7.075 -0.284 831 HD23 LEU 102 HD23 LEU 102 37.568 7.290 -2.008 832 H ASN 103 H ASN 103 40.896 9.985 2.599 833 HA ASN 103 HA ASN 103 40.584 8.584 5.016 834 HB2 ASN 103 HB2 ASN 103 42.142 11.107 4.424 835 HB3 ASN 103 HB3 ASN 103 42.307 10.148 5.892 836 HD21 ASN 103 HD21 ASN 103 42.218 7.527 4.847 837 HD22 ASN 103 HD22 ASN 103 43.549 7.290 3.820 838 H MET 104 H MET 104 39.726 11.924 4.156 839 HA MET 104 HA MET 104 38.838 12.624 6.776 840 HB2 MET 104 HB2 MET 104 38.141 13.871 4.105 841 HB3 MET 104 HB3 MET 104 37.890 14.609 5.685 842 HG2 MET 104 HG2 MET 104 40.570 13.832 4.494 843 HG3 MET 104 HG3 MET 104 39.946 15.471 4.647 844 HE1 MET 104 HE1 MET 104 39.836 16.194 8.348 845 HE2 MET 104 HE2 MET 104 38.504 15.320 7.589 846 HE3 MET 104 HE3 MET 104 39.336 16.593 6.699 847 H VAL 105 H VAL 105 37.208 11.385 3.892 848 HA VAL 105 HA VAL 105 34.558 11.679 4.829 849 HB VAL 105 HB VAL 105 35.715 9.675 2.871 850 HG11 VAL 105 HG11 VAL 105 33.437 9.415 2.042 851 HG12 VAL 105 HG12 VAL 105 32.841 10.592 3.212 852 HG13 VAL 105 HG13 VAL 105 33.460 9.036 3.765 853 HG21 VAL 105 HG21 VAL 105 34.154 12.154 2.182 854 HG22 VAL 105 HG22 VAL 105 35.294 11.249 1.189 855 HG23 VAL 105 HG23 VAL 105 35.883 12.268 2.499 856 H ALA 106 H ALA 106 36.952 9.098 5.242 857 HA ALA 106 HA ALA 106 35.302 7.114 6.313 858 HB1 ALA 106 HB1 ALA 106 37.248 6.043 6.961 859 HB2 ALA 106 HB2 ALA 106 38.042 7.544 7.438 860 HB3 ALA 106 HB3 ALA 106 37.871 7.139 5.729 861 H GLU 107 H GLU 107 36.825 9.904 7.882 862 HA GLU 107 HA GLU 107 36.154 9.241 10.545 863 HB2 GLU 107 HB2 GLU 107 36.554 11.936 9.225 864 HB3 GLU 107 HB3 GLU 107 36.414 11.693 10.963 865 HG2 GLU 107 HG2 GLU 107 38.552 10.530 9.155 866 HG3 GLU 107 HG3 GLU 107 38.772 11.822 10.329 867 H ILE 108 H ILE 108 34.345 10.887 7.991 868 HA ILE 108 HA ILE 108 32.260 11.951 9.524 869 HB ILE 108 HB ILE 108 32.069 10.800 6.731 870 HG12 ILE 108 HG12 ILE 108 33.909 12.411 6.858 871 HG13 ILE 108 HG13 ILE 108 32.559 13.104 5.968 872 HG21 ILE 108 HG21 ILE 108 30.432 12.908 8.167 873 HG22 ILE 108 HG22 ILE 108 29.891 11.288 7.726 874 HG23 ILE 108 HG23 ILE 108 30.257 12.468 6.468 875 HD11 ILE 108 HD11 ILE 108 33.449 14.771 7.506 876 HD12 ILE 108 HD12 ILE 108 33.283 13.658 8.862 877 HD13 ILE 108 HD13 ILE 108 31.845 14.288 8.057 878 H LYS 109 H LYS 109 32.503 8.764 7.943 879 HA LYS 109 HA LYS 109 29.970 7.818 8.729 880 HB2 LYS 109 HB2 LYS 109 32.504 6.259 8.172 881 HB3 LYS 109 HB3 LYS 109 30.874 5.583 8.227 882 HG2 LYS 109 HG2 LYS 109 30.231 7.239 6.423 883 HG3 LYS 109 HG3 LYS 109 31.944 7.632 6.271 884 HD2 LYS 109 HD2 LYS 109 30.791 4.846 5.963 885 HD3 LYS 109 HD3 LYS 109 31.202 5.912 4.620 886 HE2 LYS 109 HE2 LYS 109 33.544 6.035 5.847 887 HE3 LYS 109 HE3 LYS 109 33.018 4.504 6.545 888 HZ1 LYS 109 HZ1 LYS 109 34.051 3.833 4.623 889 HZ2 LYS 109 HZ2 LYS 109 33.535 5.183 3.730 890 HZ3 LYS 109 HZ3 LYS 109 32.440 3.940 4.104 891 H ALA 110 H ALA 110 33.119 7.684 10.337 892 HA ALA 110 HA ALA 110 32.310 5.932 12.430 893 HB1 ALA 110 HB1 ALA 110 34.424 6.288 13.335 894 HB2 ALA 110 HB2 ALA 110 34.502 7.953 12.760 895 HB3 ALA 110 HB3 ALA 110 34.699 6.618 11.624 896 H LEU 111 H LEU 111 32.436 9.462 12.127 897 HA LEU 111 HA LEU 111 31.790 9.977 14.858 898 HB2 LEU 111 HB2 LEU 111 31.590 11.719 12.394 899 HB3 LEU 111 HB3 LEU 111 31.352 12.294 14.044 900 HG LEU 111 HG LEU 111 33.867 10.874 13.136 901 HD11 LEU 111 HD11 LEU 111 34.904 13.095 13.022 902 HD12 LEU 111 HD12 LEU 111 33.366 13.852 13.436 903 HD13 LEU 111 HD13 LEU 111 33.548 13.008 11.898 904 HD21 LEU 111 HD21 LEU 111 32.953 12.316 15.616 905 HD22 LEU 111 HD22 LEU 111 34.671 12.217 15.228 906 HD23 LEU 111 HD23 LEU 111 33.736 10.742 15.479 907 H LEU 112 H LEU 112 29.854 9.703 11.900 908 HA LEU 112 HA LEU 112 27.456 10.712 13.032 909 HB2 LEU 112 HB2 LEU 112 27.942 8.939 10.634 910 HB3 LEU 112 HB3 LEU 112 26.367 9.603 11.061 911 HG LEU 112 HG LEU 112 28.828 11.314 10.627 912 HD11 LEU 112 HD11 LEU 112 27.801 11.861 8.431 913 HD12 LEU 112 HD12 LEU 112 26.560 10.642 8.725 914 HD13 LEU 112 HD13 LEU 112 28.246 10.158 8.538 915 HD21 LEU 112 HD21 LEU 112 26.836 12.984 10.217 916 HD22 LEU 112 HD22 LEU 112 27.309 12.586 11.869 917 HD23 LEU 112 HD23 LEU 112 25.907 11.803 11.141 918 H ILE 113 H ILE 113 28.753 7.418 12.747 919 HA ILE 113 HA ILE 113 26.385 6.188 13.782 920 HB ILE 113 HB ILE 113 27.995 4.980 12.361 921 HG12 ILE 113 HG12 ILE 113 27.878 3.691 15.092 922 HG13 ILE 113 HG13 ILE 113 26.449 3.865 14.072 923 HG21 ILE 113 HG21 ILE 113 29.797 5.143 14.793 924 HG22 ILE 113 HG22 ILE 113 30.076 5.929 13.238 925 HG23 ILE 113 HG23 ILE 113 30.106 4.170 13.355 926 HD11 ILE 113 HD11 ILE 113 27.874 2.751 12.222 927 HD12 ILE 113 HD12 ILE 113 27.276 1.720 13.522 928 HD13 ILE 113 HD13 ILE 113 28.952 2.270 13.532 929 H ASN 114 H ASN 114 29.334 7.444 15.230 930 HA ASN 114 HA ASN 114 29.041 6.174 17.753 931 HB2 ASN 114 HB2 ASN 114 30.546 8.662 16.933 932 HB3 ASN 114 HB3 ASN 114 30.666 7.914 18.523 933 HD21 ASN 114 HD21 ASN 114 32.914 8.138 16.706 934 HD22 ASN 114 HD22 ASN 114 33.369 6.565 16.260 935 H ILE 115 H ILE 115 27.780 9.199 16.443 936 HA ILE 115 HA ILE 115 27.301 10.524 18.855 937 HB ILE 115 HB ILE 115 27.204 11.531 16.577 938 HG12 ILE 115 HG12 ILE 115 24.680 12.083 18.135 939 HG13 ILE 115 HG13 ILE 115 26.274 12.524 18.751 940 HG21 ILE 115 HG21 ILE 115 25.422 9.579 15.938 941 HG22 ILE 115 HG22 ILE 115 25.560 11.100 15.062 942 HG23 ILE 115 HG23 ILE 115 24.315 10.902 16.294 943 HD11 ILE 115 HD11 ILE 115 25.434 14.452 17.597 944 HD12 ILE 115 HD12 ILE 115 24.953 13.484 16.203 945 HD13 ILE 115 HD13 ILE 115 26.662 13.737 16.552 946 H TYR 116 H TYR 116 25.414 8.005 17.288 947 HA TYR 116 HA TYR 116 23.504 8.130 19.554 948 HB2 TYR 116 HB2 TYR 116 21.787 7.305 18.130 949 HB3 TYR 116 HB3 TYR 116 22.518 8.693 17.353 950 HD1 TYR 116 HD1 TYR 116 21.871 5.109 17.169 951 HD2 TYR 116 HD2 TYR 116 23.999 8.379 15.375 952 HE1 TYR 116 HE1 TYR 116 22.243 3.747 15.131 953 HE2 TYR 116 HE2 TYR 116 24.373 7.017 13.336 954 HH TYR 116 HH TYR 116 22.982 3.830 12.998 955 H LYS 117 H LYS 117 26.088 6.627 19.356 956 HA LYS 117 HA LYS 117 25.094 4.128 20.377 957 HB2 LYS 117 HB2 LYS 117 25.074 3.856 17.837 958 HB3 LYS 117 HB3 LYS 117 26.835 3.943 17.920 959 HG2 LYS 117 HG2 LYS 117 26.654 2.097 19.716 960 HG3 LYS 117 HG3 LYS 117 25.007 1.869 19.128 961 HD2 LYS 117 HD2 LYS 117 27.430 1.832 17.313 962 HD3 LYS 117 HD3 LYS 117 26.741 0.377 18.034 963 HE2 LYS 117 HE2 LYS 117 25.172 2.330 16.327 964 HE3 LYS 117 HE3 LYS 117 25.890 0.838 15.718 965 HZ1 LYS 117 HZ1 LYS 117 23.948 -0.065 16.306 966 HZ2 LYS 117 HZ2 LYS 117 23.533 1.223 17.335 967 HZ3 LYS 117 HZ3 LYS 117 24.555 -0.015 17.890 Start of MODEL 12 1 H GLU 1 H GLU 1 -4.791 -4.786 8.083 2 HA GLU 1 HA GLU 1 -4.256 -2.552 7.722 3 HB2 GLU 1 HB2 GLU 1 -3.208 -3.005 10.527 4 HB3 GLU 1 HB3 GLU 1 -3.542 -1.427 9.814 5 HG2 GLU 1 HG2 GLU 1 -5.577 -3.646 10.173 6 HG3 GLU 1 HG3 GLU 1 -5.433 -2.229 11.206 7 H ALA 2 H ALA 2 -2.473 -0.864 7.830 8 HA ALA 2 HA ALA 2 -0.213 -1.805 6.422 9 HB1 ALA 2 HB1 ALA 2 0.513 0.440 6.385 10 HB2 ALA 2 HB2 ALA 2 -0.306 0.819 7.900 11 HB3 ALA 2 HB3 ALA 2 -1.246 0.552 6.433 12 H ALA 3 H ALA 3 1.904 -2.129 7.032 13 HA ALA 3 HA ALA 3 2.389 -3.114 9.639 14 HB1 ALA 3 HB1 ALA 3 4.582 -2.205 7.792 15 HB2 ALA 3 HB2 ALA 3 3.618 -3.633 7.413 16 HB3 ALA 3 HB3 ALA 3 4.564 -3.578 8.900 17 H ALA 4 H ALA 4 3.650 -2.280 11.326 18 HA ALA 4 HA ALA 4 4.360 0.575 11.185 19 HB1 ALA 4 HB1 ALA 4 3.278 1.066 13.271 20 HB2 ALA 4 HB2 ALA 4 2.853 -0.628 13.514 21 HB3 ALA 4 HB3 ALA 4 2.082 0.299 12.228 22 H ALA 5 H ALA 5 5.939 1.226 12.733 23 HA ALA 5 HA ALA 5 7.246 -0.889 14.283 24 HB1 ALA 5 HB1 ALA 5 9.398 -0.556 13.312 25 HB2 ALA 5 HB2 ALA 5 8.838 0.831 12.377 26 HB3 ALA 5 HB3 ALA 5 8.283 -0.792 11.967 27 H ALA 6 H ALA 6 8.742 -0.067 15.866 28 HA ALA 6 HA ALA 6 7.843 2.257 17.183 29 HB1 ALA 6 HB1 ALA 6 9.034 0.331 18.263 30 HB2 ALA 6 HB2 ALA 6 9.682 1.911 18.707 31 HB3 ALA 6 HB3 ALA 6 10.529 0.910 17.528 32 H ARG 7 H ARG 7 8.851 4.282 17.493 33 HA ARG 7 HA ARG 7 9.811 5.547 15.199 34 HB2 ARG 7 HB2 ARG 7 10.162 6.331 18.102 35 HB3 ARG 7 HB3 ARG 7 10.471 7.393 16.728 36 HG2 ARG 7 HG2 ARG 7 8.123 7.110 15.993 37 HG3 ARG 7 HG3 ARG 7 7.816 6.092 17.400 38 HD2 ARG 7 HD2 ARG 7 7.077 8.320 17.948 39 HD3 ARG 7 HD3 ARG 7 8.555 8.010 18.855 40 HE ARG 7 HE ARG 7 8.897 9.328 16.278 41 HH11 ARG 7 HH11 ARG 7 8.595 9.752 19.749 42 HH12 ARG 7 HH12 ARG 7 9.317 11.326 19.720 43 HH21 ARG 7 HH21 ARG 7 9.821 11.357 16.302 44 HH22 ARG 7 HH22 ARG 7 10.002 12.222 17.792 45 H ASP 8 H ASP 8 11.589 4.093 17.900 46 HA ASP 8 HA ASP 8 14.164 4.969 17.120 47 HB2 ASP 8 HB2 ASP 8 14.997 3.197 18.592 48 HB3 ASP 8 HB3 ASP 8 13.673 4.073 19.358 49 H GLU 9 H GLU 9 12.263 2.103 16.277 50 HA GLU 9 HA GLU 9 14.329 0.783 14.835 51 HB2 GLU 9 HB2 GLU 9 11.318 0.540 14.661 52 HB3 GLU 9 HB3 GLU 9 12.455 -0.543 13.856 53 HG2 GLU 9 HG2 GLU 9 13.461 -1.085 16.065 54 HG3 GLU 9 HG3 GLU 9 12.260 -0.063 16.843 55 H SER 10 H SER 10 11.796 3.077 13.897 56 HA SER 10 HA SER 10 12.147 2.885 11.105 57 HB2 SER 10 HB2 SER 10 10.964 5.004 10.988 58 HB3 SER 10 HB3 SER 10 10.217 3.988 12.216 59 HG SER 10 HG SER 10 10.570 5.793 13.288 60 H ALA 11 H ALA 11 13.738 4.898 13.548 61 HA ALA 11 HA ALA 11 15.275 6.436 11.706 62 HB1 ALA 11 HB1 ALA 11 16.681 6.920 13.755 63 HB2 ALA 11 HB2 ALA 11 15.608 5.846 14.651 64 HB3 ALA 11 HB3 ALA 11 14.970 7.313 13.908 65 H TYR 12 H TYR 12 15.851 3.411 13.444 66 HA TYR 12 HA TYR 12 18.567 3.049 12.892 67 HB2 TYR 12 HB2 TYR 12 17.205 1.651 14.417 68 HB3 TYR 12 HB3 TYR 12 16.386 0.964 13.030 69 HD1 TYR 12 HD1 TYR 12 19.706 1.277 14.699 70 HD2 TYR 12 HD2 TYR 12 17.299 -0.884 11.871 71 HE1 TYR 12 HE1 TYR 12 21.434 -0.497 14.580 72 HE2 TYR 12 HE2 TYR 12 19.030 -2.656 11.752 73 HH TYR 12 HH TYR 12 21.460 -2.862 12.228 74 H LEU 13 H LEU 13 15.704 2.199 10.977 75 HA LEU 13 HA LEU 13 17.109 0.979 8.832 76 HB2 LEU 13 HB2 LEU 13 14.400 2.331 8.831 77 HB3 LEU 13 HB3 LEU 13 15.007 1.233 7.592 78 HG LEU 13 HG LEU 13 14.673 0.489 10.512 79 HD11 LEU 13 HD11 LEU 13 12.960 -0.219 8.109 80 HD12 LEU 13 HD12 LEU 13 12.500 0.908 9.386 81 HD13 LEU 13 HD13 LEU 13 12.723 -0.801 9.757 82 HD21 LEU 13 HD21 LEU 13 16.306 -0.947 9.613 83 HD22 LEU 13 HD22 LEU 13 15.549 -0.961 8.020 84 HD23 LEU 13 HD23 LEU 13 14.811 -1.846 9.355 85 H LYS 14 H LYS 14 16.124 4.317 9.488 86 HA LYS 14 HA LYS 14 16.576 5.374 6.924 87 HB2 LYS 14 HB2 LYS 14 15.397 6.557 8.776 88 HB3 LYS 14 HB3 LYS 14 16.956 6.798 9.566 89 HG2 LYS 14 HG2 LYS 14 17.772 7.993 7.548 90 HG3 LYS 14 HG3 LYS 14 16.180 7.807 6.812 91 HD2 LYS 14 HD2 LYS 14 15.196 9.028 8.771 92 HD3 LYS 14 HD3 LYS 14 16.833 9.322 9.352 93 HE2 LYS 14 HE2 LYS 14 16.151 11.273 8.108 94 HE3 LYS 14 HE3 LYS 14 17.342 10.411 7.135 95 HZ1 LYS 14 HZ1 LYS 14 15.837 10.363 5.529 96 HZ2 LYS 14 HZ2 LYS 14 14.629 10.991 6.546 97 HZ3 LYS 14 HZ3 LYS 14 14.900 9.316 6.481 98 H LEU 15 H LEU 15 18.777 5.164 9.735 99 HA LEU 15 HA LEU 15 20.987 6.346 8.390 100 HB2 LEU 15 HB2 LEU 15 20.699 4.677 10.871 101 HB3 LEU 15 HB3 LEU 15 22.297 5.029 10.220 102 HG LEU 15 HG LEU 15 21.200 7.534 10.153 103 HD11 LEU 15 HD11 LEU 15 19.131 7.133 11.201 104 HD12 LEU 15 HD12 LEU 15 20.147 7.732 12.514 105 HD13 LEU 15 HD13 LEU 15 19.832 6.002 12.360 106 HD21 LEU 15 HD21 LEU 15 23.324 6.503 11.326 107 HD22 LEU 15 HD22 LEU 15 22.325 6.592 12.774 108 HD23 LEU 15 HD23 LEU 15 22.683 8.055 11.856 109 H GLN 16 H GLN 16 19.850 3.019 8.724 110 HA GLN 16 HA GLN 16 22.260 1.745 8.052 111 HB2 GLN 16 HB2 GLN 16 19.749 0.915 8.836 112 HB3 GLN 16 HB3 GLN 16 19.782 0.369 7.165 113 HG2 GLN 16 HG2 GLN 16 20.676 -1.449 8.357 114 HG3 GLN 16 HG3 GLN 16 22.113 -0.618 7.759 115 HE21 GLN 16 HE21 GLN 16 23.675 -0.315 9.366 116 HE22 GLN 16 HE22 GLN 16 23.342 -0.132 11.020 117 H GLU 17 H GLU 17 19.523 2.760 6.026 118 HA GLU 17 HA GLU 17 20.671 1.824 3.581 119 HB2 GLU 17 HB2 GLU 17 18.507 3.871 4.118 120 HB3 GLU 17 HB3 GLU 17 18.927 3.260 2.521 121 HG2 GLU 17 HG2 GLU 17 17.891 1.622 4.854 122 HG3 GLU 17 HG3 GLU 17 16.998 2.043 3.398 123 H GLN 18 H GLN 18 20.661 4.919 5.293 124 HA GLN 18 HA GLN 18 21.701 6.465 3.165 125 HB2 GLN 18 HB2 GLN 18 20.506 7.376 5.165 126 HB3 GLN 18 HB3 GLN 18 21.964 7.067 6.113 127 HG2 GLN 18 HG2 GLN 18 23.262 8.470 4.515 128 HG3 GLN 18 HG3 GLN 18 21.766 8.842 3.663 129 HE21 GLN 18 HE21 GLN 18 21.091 10.901 4.237 130 HE22 GLN 18 HE22 GLN 18 21.155 11.547 5.805 131 H MET 19 H MET 19 23.302 4.614 5.728 132 HA MET 19 HA MET 19 25.878 5.653 5.552 133 HB2 MET 19 HB2 MET 19 24.904 2.841 6.060 134 HB3 MET 19 HB3 MET 19 26.609 3.264 6.116 135 HG2 MET 19 HG2 MET 19 24.456 4.613 7.769 136 HG3 MET 19 HG3 MET 19 25.504 3.331 8.363 137 HE1 MET 19 HE1 MET 19 28.359 4.087 6.928 138 HE2 MET 19 HE2 MET 19 27.931 3.375 8.482 139 HE3 MET 19 HE3 MET 19 28.988 4.785 8.425 140 H ARG 20 H ARG 20 24.343 3.174 3.531 141 HA ARG 20 HA ARG 20 26.539 2.646 1.847 142 HB2 ARG 20 HB2 ARG 20 24.439 1.311 1.900 143 HB3 ARG 20 HB3 ARG 20 23.601 2.646 1.109 144 HG2 ARG 20 HG2 ARG 20 25.060 2.472 -0.833 145 HG3 ARG 20 HG3 ARG 20 26.022 1.226 -0.039 146 HD2 ARG 20 HD2 ARG 20 24.501 0.118 -1.539 147 HD3 ARG 20 HD3 ARG 20 23.943 -0.182 0.103 148 HE ARG 20 HE ARG 20 22.650 1.500 -1.909 149 HH11 ARG 20 HH11 ARG 20 22.713 0.481 1.453 150 HH12 ARG 20 HH12 ARG 20 21.070 0.953 1.726 151 HH21 ARG 20 HH21 ARG 20 20.543 2.086 -1.493 152 HH22 ARG 20 HH22 ARG 20 19.855 1.843 0.078 153 H LYS 21 H LYS 21 24.040 5.149 1.746 154 HA LYS 21 HA LYS 21 24.603 6.157 -0.820 155 HB2 LYS 21 HB2 LYS 21 22.544 6.630 0.492 156 HB3 LYS 21 HB3 LYS 21 23.496 7.666 1.555 157 HG2 LYS 21 HG2 LYS 21 24.147 9.043 -0.412 158 HG3 LYS 21 HG3 LYS 21 23.109 8.041 -1.429 159 HD2 LYS 21 HD2 LYS 21 21.181 8.630 0.074 160 HD3 LYS 21 HD3 LYS 21 22.242 9.772 0.901 161 HE2 LYS 21 HE2 LYS 21 21.721 9.834 -2.082 162 HE3 LYS 21 HE3 LYS 21 20.821 10.803 -0.916 163 HZ1 LYS 21 HZ1 LYS 21 23.505 11.149 -0.335 164 HZ2 LYS 21 HZ2 LYS 21 22.444 12.283 -1.022 165 HZ3 LYS 21 HZ3 LYS 21 23.377 11.276 -2.020 166 H ILE 22 H ILE 22 25.908 7.062 2.379 167 HA ILE 22 HA ILE 22 27.252 9.395 1.521 168 HB ILE 22 HB ILE 22 28.404 7.641 3.677 169 HG12 ILE 22 HG12 ILE 22 26.016 7.698 4.211 170 HG13 ILE 22 HG13 ILE 22 26.889 8.755 5.311 171 HG21 ILE 22 HG21 ILE 22 28.623 10.092 4.638 172 HG22 ILE 22 HG22 ILE 22 28.356 10.552 2.960 173 HG23 ILE 22 HG23 ILE 22 29.730 9.535 3.383 174 HD11 ILE 22 HD11 ILE 22 25.321 9.616 2.862 175 HD12 ILE 22 HD12 ILE 22 26.267 10.702 3.880 176 HD13 ILE 22 HD13 ILE 22 24.861 9.871 4.548 177 H ASP 23 H ASP 23 28.372 6.049 1.893 178 HA ASP 23 HA ASP 23 31.009 6.508 0.956 179 HB2 ASP 23 HB2 ASP 23 29.366 3.968 1.043 180 HB3 ASP 23 HB3 ASP 23 31.100 4.041 0.726 181 H ALA 24 H ALA 24 28.018 5.525 -0.663 182 HA ALA 24 HA ALA 24 29.171 4.776 -3.126 183 HB1 ALA 24 HB1 ALA 24 26.925 4.112 -2.698 184 HB2 ALA 24 HB2 ALA 24 26.843 5.271 -4.025 185 HB3 ALA 24 HB3 ALA 24 26.419 5.773 -2.389 186 H ASP 25 H ASP 25 27.648 7.845 -2.127 187 HA ASP 25 HA ASP 25 28.322 9.263 -4.491 188 HB2 ASP 25 HB2 ASP 25 27.748 10.272 -1.697 189 HB3 ASP 25 HB3 ASP 25 27.829 11.281 -3.140 190 H ALA 26 H ALA 26 29.962 8.826 -1.385 191 HA ALA 26 HA ALA 26 31.989 10.747 -1.742 192 HB1 ALA 26 HB1 ALA 26 31.828 8.218 -0.111 193 HB2 ALA 26 HB2 ALA 26 31.702 9.888 0.443 194 HB3 ALA 26 HB3 ALA 26 33.256 9.253 -0.094 195 H ALA 27 H ALA 27 31.759 7.371 -2.781 196 HA ALA 27 HA ALA 27 34.445 7.019 -3.557 197 HB1 ALA 27 HB1 ALA 27 33.679 5.128 -4.807 198 HB2 ALA 27 HB2 ALA 27 32.048 5.787 -4.925 199 HB3 ALA 27 HB3 ALA 27 32.662 5.226 -3.370 200 H ALA 28 H ALA 28 31.608 8.117 -5.401 201 HA ALA 28 HA ALA 28 33.081 8.673 -7.786 202 HB1 ALA 28 HB1 ALA 28 31.065 9.599 -8.625 203 HB2 ALA 28 HB2 ALA 28 30.448 9.920 -7.003 204 HB3 ALA 28 HB3 ALA 28 30.571 8.261 -7.589 205 H LEU 29 H LEU 29 32.055 10.610 -5.001 206 HA LEU 29 HA LEU 29 32.770 13.139 -6.030 207 HB2 LEU 29 HB2 LEU 29 31.493 12.374 -3.819 208 HB3 LEU 29 HB3 LEU 29 33.093 12.548 -3.118 209 HG LEU 29 HG LEU 29 31.884 14.623 -2.832 210 HD11 LEU 29 HD11 LEU 29 34.357 14.631 -3.599 211 HD12 LEU 29 HD12 LEU 29 33.458 16.147 -3.674 212 HD13 LEU 29 HD13 LEU 29 33.722 15.204 -5.141 213 HD21 LEU 29 HD21 LEU 29 30.725 15.756 -4.510 214 HD22 LEU 29 HD22 LEU 29 30.418 14.071 -4.930 215 HD23 LEU 29 HD23 LEU 29 31.647 14.987 -5.802 216 H SER 30 H SER 30 34.642 10.680 -4.293 217 HA SER 30 HA SER 30 36.937 12.259 -3.829 218 HB2 SER 30 HB2 SER 30 38.078 10.170 -3.392 219 HB3 SER 30 HB3 SER 30 36.451 10.073 -2.729 220 HG SER 30 HG SER 30 36.190 8.472 -4.031 221 H GLU 31 H GLU 31 35.958 10.273 -6.593 222 HA GLU 31 HA GLU 31 38.496 10.718 -7.944 223 HB2 GLU 31 HB2 GLU 31 35.958 9.349 -8.860 224 HB3 GLU 31 HB3 GLU 31 37.469 9.399 -9.772 225 HG2 GLU 31 HG2 GLU 31 37.139 8.231 -6.993 226 HG3 GLU 31 HG3 GLU 31 37.249 7.298 -8.480 227 H THR 32 H THR 32 35.079 11.623 -8.456 228 HA THR 32 HA THR 32 35.558 13.222 -10.746 229 HB THR 32 HB THR 32 33.321 14.163 -10.300 230 HG1 THR 32 HG1 THR 32 32.750 14.184 -8.313 231 HG21 THR 32 HG21 THR 32 32.095 11.962 -10.252 232 HG22 THR 32 HG22 THR 32 33.635 11.176 -9.904 233 HG23 THR 32 HG23 THR 32 33.406 12.031 -11.430 234 H ARG 33 H ARG 33 35.175 14.080 -7.301 235 HA ARG 33 HA ARG 33 35.910 15.905 -6.114 236 HB2 ARG 33 HB2 ARG 33 37.959 15.464 -8.247 237 HB3 ARG 33 HB3 ARG 33 38.082 16.926 -7.269 238 HG2 ARG 33 HG2 ARG 33 38.460 15.743 -5.302 239 HG3 ARG 33 HG3 ARG 33 37.654 14.295 -5.896 240 HD2 ARG 33 HD2 ARG 33 40.149 14.069 -5.735 241 HD3 ARG 33 HD3 ARG 33 39.507 13.768 -7.344 242 HE ARG 33 HE ARG 33 40.393 16.495 -6.858 243 HH11 ARG 33 HH11 ARG 33 41.376 13.312 -7.976 244 HH12 ARG 33 HH12 ARG 33 42.590 13.948 -9.036 245 HH21 ARG 33 HH21 ARG 33 41.962 17.253 -8.251 246 HH22 ARG 33 HH22 ARG 33 42.916 16.154 -9.190 247 H THR 34 H THR 34 33.732 16.574 -7.427 248 HA THR 34 HA THR 34 34.311 19.158 -8.763 249 HB THR 34 HB THR 34 33.208 17.592 -10.271 250 HG1 THR 34 HG1 THR 34 31.283 18.882 -10.517 251 HG21 THR 34 HG21 THR 34 31.114 17.422 -8.087 252 HG22 THR 34 HG22 THR 34 32.155 16.115 -8.650 253 HG23 THR 34 HG23 THR 34 30.915 16.776 -9.716 254 H ILE 35 H ILE 35 33.265 20.977 -8.072 255 HA ILE 35 HA ILE 35 32.477 21.022 -5.347 256 HB ILE 35 HB ILE 35 33.609 22.897 -6.486 257 HG12 ILE 35 HG12 ILE 35 32.048 24.704 -5.581 258 HG13 ILE 35 HG13 ILE 35 30.924 23.404 -5.184 259 HG21 ILE 35 HG21 ILE 35 30.968 23.636 -7.724 260 HG22 ILE 35 HG22 ILE 35 32.110 22.611 -8.591 261 HG23 ILE 35 HG23 ILE 35 32.580 24.240 -8.107 262 HD11 ILE 35 HD11 ILE 35 32.502 24.093 -3.308 263 HD12 ILE 35 HD12 ILE 35 33.810 23.408 -4.273 264 HD13 ILE 35 HD13 ILE 35 32.500 22.374 -3.702 265 H GLU 36 H GLU 36 30.647 20.878 -8.348 266 HA GLU 36 HA GLU 36 28.199 21.881 -7.373 267 HB2 GLU 36 HB2 GLU 36 28.726 19.884 -9.588 268 HB3 GLU 36 HB3 GLU 36 27.185 20.695 -9.303 269 HG2 GLU 36 HG2 GLU 36 28.329 22.892 -9.563 270 HG3 GLU 36 HG3 GLU 36 29.823 22.044 -9.940 271 H GLU 37 H GLU 37 29.483 18.583 -7.528 272 HA GLU 37 HA GLU 37 27.161 17.332 -6.455 273 HB2 GLU 37 HB2 GLU 37 30.033 16.403 -6.603 274 HB3 GLU 37 HB3 GLU 37 28.673 15.382 -6.131 275 HG2 GLU 37 HG2 GLU 37 28.931 16.844 -8.775 276 HG3 GLU 37 HG3 GLU 37 29.222 15.126 -8.535 277 H LEU 38 H LEU 38 29.970 18.842 -4.989 278 HA LEU 38 HA LEU 38 30.006 17.599 -2.500 279 HB2 LEU 38 HB2 LEU 38 31.714 19.202 -3.328 280 HB3 LEU 38 HB3 LEU 38 30.567 20.516 -3.077 281 HG LEU 38 HG LEU 38 30.412 19.801 -0.656 282 HD11 LEU 38 HD11 LEU 38 32.680 18.017 -1.571 283 HD12 LEU 38 HD12 LEU 38 31.186 17.535 -0.766 284 HD13 LEU 38 HD13 LEU 38 32.415 18.435 0.122 285 HD21 LEU 38 HD21 LEU 38 31.808 21.704 -1.313 286 HD22 LEU 38 HD22 LEU 38 33.129 20.615 -1.736 287 HD23 LEU 38 HD23 LEU 38 32.627 20.780 -0.054 288 H ASP 39 H ASP 39 27.940 20.220 -3.674 289 HA ASP 39 HA ASP 39 26.891 21.092 -1.234 290 HB2 ASP 39 HB2 ASP 39 25.576 20.946 -3.956 291 HB3 ASP 39 HB3 ASP 39 24.935 21.844 -2.581 292 H THR 40 H THR 40 25.878 18.408 -3.325 293 HA THR 40 HA THR 40 23.540 17.734 -1.876 294 HB THR 40 HB THR 40 25.294 15.879 -3.502 295 HG1 THR 40 HG1 THR 40 24.688 17.603 -4.732 296 HG21 THR 40 HG21 THR 40 22.959 14.867 -3.920 297 HG22 THR 40 HG22 THR 40 22.438 15.817 -2.530 298 HG23 THR 40 HG23 THR 40 23.688 14.587 -2.339 299 H PHE 41 H PHE 41 26.908 16.649 -1.617 300 HA PHE 41 HA PHE 41 26.469 14.564 0.222 301 HB2 PHE 41 HB2 PHE 41 28.555 14.786 -1.002 302 HB3 PHE 41 HB3 PHE 41 28.898 16.300 -0.200 303 HD1 PHE 41 HD1 PHE 41 31.099 15.408 0.439 304 HD2 PHE 41 HD2 PHE 41 27.473 13.555 1.809 305 HE1 PHE 41 HE1 PHE 41 32.376 14.186 2.177 306 HE2 PHE 41 HE2 PHE 41 28.756 12.349 3.557 307 HZ PHE 41 HZ PHE 41 31.196 12.645 3.731 308 H LYS 42 H LYS 42 27.116 18.018 0.724 309 HA LYS 42 HA LYS 42 27.451 17.977 3.504 310 HB2 LYS 42 HB2 LYS 42 26.211 20.104 1.743 311 HB3 LYS 42 HB3 LYS 42 26.675 20.345 3.427 312 HG2 LYS 42 HG2 LYS 42 29.006 19.692 2.846 313 HG3 LYS 42 HG3 LYS 42 28.524 19.576 1.152 314 HD2 LYS 42 HD2 LYS 42 27.801 21.963 1.237 315 HD3 LYS 42 HD3 LYS 42 28.419 22.060 2.887 316 HE2 LYS 42 HE2 LYS 42 30.642 21.172 1.863 317 HE3 LYS 42 HE3 LYS 42 29.955 21.690 0.322 318 HZ1 LYS 42 HZ1 LYS 42 31.274 23.270 2.117 319 HZ2 LYS 42 HZ2 LYS 42 29.639 23.660 2.365 320 HZ3 LYS 42 HZ3 LYS 42 30.325 23.810 0.819 321 H LEU 43 H LEU 43 24.498 18.139 1.551 322 HA LEU 43 HA LEU 43 22.680 18.426 3.704 323 HB2 LEU 43 HB2 LEU 43 22.253 17.146 0.992 324 HB3 LEU 43 HB3 LEU 43 20.981 17.678 2.092 325 HG LEU 43 HG LEU 43 23.115 19.500 0.946 326 HD11 LEU 43 HD11 LEU 43 21.413 20.326 -0.558 327 HD12 LEU 43 HD12 LEU 43 20.187 19.304 0.192 328 HD13 LEU 43 HD13 LEU 43 21.489 18.575 -0.748 329 HD21 LEU 43 HD21 LEU 43 20.741 19.854 2.761 330 HD22 LEU 43 HD22 LEU 43 21.257 21.186 1.726 331 HD23 LEU 43 HD23 LEU 43 22.368 20.516 2.921 332 H ASP 44 H ASP 44 24.080 15.585 2.113 333 HA ASP 44 HA ASP 44 22.497 13.619 3.362 334 HB2 ASP 44 HB2 ASP 44 25.355 13.488 2.379 335 HB3 ASP 44 HB3 ASP 44 24.384 12.088 2.831 336 H VAL 45 H VAL 45 25.630 15.029 4.305 337 HA VAL 45 HA VAL 45 25.917 13.525 6.689 338 HB VAL 45 HB VAL 45 27.029 16.264 6.023 339 HG11 VAL 45 HG11 VAL 45 27.227 15.818 8.405 340 HG12 VAL 45 HG12 VAL 45 28.809 15.574 7.662 341 HG13 VAL 45 HG13 VAL 45 27.812 14.184 8.088 342 HG21 VAL 45 HG21 VAL 45 27.865 14.865 4.345 343 HG22 VAL 45 HG22 VAL 45 27.872 13.446 5.392 344 HG23 VAL 45 HG23 VAL 45 29.097 14.699 5.595 345 H ALA 46 H ALA 46 24.421 16.673 5.999 346 HA ALA 46 HA ALA 46 23.815 17.410 8.647 347 HB1 ALA 46 HB1 ALA 46 23.571 18.795 6.497 348 HB2 ALA 46 HB2 ALA 46 22.303 18.977 7.709 349 HB3 ALA 46 HB3 ALA 46 22.024 17.976 6.285 350 H ASP 47 H ASP 47 21.939 15.559 6.258 351 HA ASP 47 HA ASP 47 19.758 14.970 7.973 352 HB2 ASP 47 HB2 ASP 47 20.810 13.463 5.567 353 HB3 ASP 47 HB3 ASP 47 19.249 13.186 6.334 354 H PHE 48 H PHE 48 22.785 13.276 7.255 355 HA PHE 48 HA PHE 48 22.238 10.915 8.696 356 HB2 PHE 48 HB2 PHE 48 24.053 11.072 7.083 357 HB3 PHE 48 HB3 PHE 48 24.866 12.266 8.079 358 HD1 PHE 48 HD1 PHE 48 26.302 11.622 9.834 359 HD2 PHE 48 HD2 PHE 48 23.779 8.699 7.959 360 HE1 PHE 48 HE1 PHE 48 27.486 9.825 11.041 361 HE2 PHE 48 HE2 PHE 48 24.951 6.895 9.195 362 HZ PHE 48 HZ PHE 48 26.806 7.456 10.751 363 H VAL 49 H VAL 49 23.883 13.920 9.669 364 HA VAL 49 HA VAL 49 24.518 13.003 12.289 365 HB VAL 49 HB VAL 49 24.319 15.817 11.184 366 HG11 VAL 49 HG11 VAL 49 25.769 14.830 13.661 367 HG12 VAL 49 HG12 VAL 49 24.232 15.696 13.688 368 HG13 VAL 49 HG13 VAL 49 25.684 16.495 13.082 369 HG21 VAL 49 HG21 VAL 49 26.857 14.296 11.727 370 HG22 VAL 49 HG22 VAL 49 26.584 15.640 10.622 371 HG23 VAL 49 HG23 VAL 49 25.991 14.032 10.218 372 H THR 50 H THR 50 21.933 15.124 11.030 373 HA THR 50 HA THR 50 20.828 15.836 13.491 374 HB THR 50 HB THR 50 19.317 15.444 10.901 375 HG1 THR 50 HG1 THR 50 20.187 17.263 10.323 376 HG21 THR 50 HG21 THR 50 18.821 17.403 13.153 377 HG22 THR 50 HG22 THR 50 18.021 15.833 13.062 378 HG23 THR 50 HG23 THR 50 17.762 17.030 11.793 379 H THR 51 H THR 51 20.071 13.063 11.398 380 HA THR 51 HA THR 51 17.911 12.045 12.859 381 HB THR 51 HB THR 51 19.998 10.426 11.381 382 HG1 THR 51 HG1 THR 51 18.654 10.816 9.645 383 HG21 THR 51 HG21 THR 51 18.044 8.915 11.014 384 HG22 THR 51 HG22 THR 51 17.089 9.942 12.080 385 HG23 THR 51 HG23 THR 51 18.480 9.064 12.714 386 H VAL 52 H VAL 52 21.398 11.557 13.261 387 HA VAL 52 HA VAL 52 21.236 9.578 15.274 388 HB VAL 52 HB VAL 52 23.417 11.628 14.782 389 HG11 VAL 52 HG11 VAL 52 23.832 10.696 16.929 390 HG12 VAL 52 HG12 VAL 52 24.825 9.741 15.827 391 HG13 VAL 52 HG13 VAL 52 23.296 9.093 16.421 392 HG21 VAL 52 HG21 VAL 52 23.484 8.749 13.910 393 HG22 VAL 52 HG22 VAL 52 24.384 10.124 13.274 394 HG23 VAL 52 HG23 VAL 52 22.672 9.946 12.904 395 H VAL 53 H VAL 53 21.304 13.126 15.386 396 HA VAL 53 HA VAL 53 21.791 13.430 18.128 397 HB VAL 53 HB VAL 53 20.157 15.246 16.337 398 HG11 VAL 53 HG11 VAL 53 20.810 16.999 17.924 399 HG12 VAL 53 HG12 VAL 53 21.704 15.821 18.883 400 HG13 VAL 53 HG13 VAL 53 19.947 15.713 18.768 401 HG21 VAL 53 HG21 VAL 53 22.188 15.182 15.225 402 HG22 VAL 53 HG22 VAL 53 23.101 14.786 16.679 403 HG23 VAL 53 HG23 VAL 53 22.547 16.437 16.406 404 H GLN 54 H GLN 54 18.688 13.182 16.375 405 HA GLN 54 HA GLN 54 17.014 13.549 18.602 406 HB2 GLN 54 HB2 GLN 54 16.658 12.167 15.962 407 HB3 GLN 54 HB3 GLN 54 15.397 12.081 17.191 408 HG2 GLN 54 HG2 GLN 54 14.772 13.990 15.999 409 HG3 GLN 54 HG3 GLN 54 15.709 14.671 17.326 410 HE21 GLN 54 HE21 GLN 54 17.381 16.052 16.722 411 HE22 GLN 54 HE22 GLN 54 18.072 16.116 15.172 412 H LEU 55 H LEU 55 18.546 10.632 17.306 413 HA LEU 55 HA LEU 55 17.251 8.805 19.056 414 HB2 LEU 55 HB2 LEU 55 19.887 8.611 17.583 415 HB3 LEU 55 HB3 LEU 55 19.098 7.266 18.405 416 HG LEU 55 HG LEU 55 17.618 8.878 16.334 417 HD11 LEU 55 HD11 LEU 55 18.483 7.621 14.569 418 HD12 LEU 55 HD12 LEU 55 19.030 6.321 15.627 419 HD13 LEU 55 HD13 LEU 55 19.919 7.841 15.566 420 HD21 LEU 55 HD21 LEU 55 17.358 5.935 16.887 421 HD22 LEU 55 HD22 LEU 55 16.136 7.072 16.323 422 HD23 LEU 55 HD23 LEU 55 16.643 7.090 18.012 423 H ALA 56 H ALA 56 20.280 10.634 19.254 424 HA ALA 56 HA ALA 56 21.217 9.243 21.582 425 HB1 ALA 56 HB1 ALA 56 23.073 10.726 21.520 426 HB2 ALA 56 HB2 ALA 56 22.174 11.927 20.591 427 HB3 ALA 56 HB3 ALA 56 22.653 10.405 19.836 428 H GLU 57 H GLU 57 19.810 12.471 21.031 429 HA GLU 57 HA GLU 57 20.193 13.330 23.712 430 HB2 GLU 57 HB2 GLU 57 18.398 14.392 21.526 431 HB3 GLU 57 HB3 GLU 57 18.694 15.208 23.063 432 HG2 GLU 57 HG2 GLU 57 21.130 15.204 22.565 433 HG3 GLU 57 HG3 GLU 57 20.792 14.471 21.003 434 H GLU 58 H GLU 58 17.405 11.878 22.040 435 HA GLU 58 HA GLU 58 15.871 12.114 24.569 436 HB2 GLU 58 HB2 GLU 58 14.857 12.030 21.721 437 HB3 GLU 58 HB3 GLU 58 13.851 12.100 23.169 438 HG2 GLU 58 HG2 GLU 58 15.929 14.165 22.392 439 HG3 GLU 58 HG3 GLU 58 14.195 14.345 22.163 440 H LEU 59 H LEU 59 15.579 10.072 21.637 441 HA LEU 59 HA LEU 59 14.087 8.094 22.881 442 HB2 LEU 59 HB2 LEU 59 15.999 7.766 20.559 443 HB3 LEU 59 HB3 LEU 59 14.699 6.655 20.985 444 HG LEU 59 HG LEU 59 14.302 9.574 20.255 445 HD11 LEU 59 HD11 LEU 59 15.002 8.380 18.282 446 HD12 LEU 59 HD12 LEU 59 13.248 8.543 18.191 447 HD13 LEU 59 HD13 LEU 59 13.966 7.008 18.677 448 HD21 LEU 59 HD21 LEU 59 12.481 8.931 21.625 449 HD22 LEU 59 HD22 LEU 59 12.461 7.291 20.978 450 HD23 LEU 59 HD23 LEU 59 11.891 8.636 19.989 451 H GLU 60 H GLU 60 17.585 7.898 22.146 452 HA GLU 60 HA GLU 60 17.909 5.443 23.555 453 HB2 GLU 60 HB2 GLU 60 19.942 7.483 22.630 454 HB3 GLU 60 HB3 GLU 60 20.340 5.887 23.271 455 HG2 GLU 60 HG2 GLU 60 18.955 4.851 21.483 456 HG3 GLU 60 HG3 GLU 60 18.657 6.449 20.813 457 H HIS 61 H HIS 61 18.290 8.827 24.460 458 HA HIS 61 HA HIS 61 19.856 8.464 26.765 459 HB2 HIS 61 HB2 HIS 61 19.365 10.639 25.628 460 HB3 HIS 61 HB3 HIS 61 17.755 10.584 26.319 461 HD1 HIS 61 HD1 HIS 61 21.365 10.458 27.562 462 HD2 HIS 61 HD2 HIS 61 17.630 11.882 28.746 463 HE1 HIS 61 HE1 HIS 61 21.729 11.694 29.740 464 H ARG 62 H ARG 62 16.313 8.597 26.387 465 HA ARG 62 HA ARG 62 15.728 8.324 29.145 466 HB2 ARG 62 HB2 ARG 62 14.072 7.645 26.706 467 HB3 ARG 62 HB3 ARG 62 13.453 7.690 28.358 468 HG2 ARG 62 HG2 ARG 62 14.200 10.064 28.535 469 HG3 ARG 62 HG3 ARG 62 14.691 10.006 26.842 470 HD2 ARG 62 HD2 ARG 62 12.333 9.359 26.254 471 HD3 ARG 62 HD3 ARG 62 11.891 9.641 27.936 472 HE ARG 62 HE ARG 62 12.469 11.649 25.928 473 HH11 ARG 62 HH11 ARG 62 12.263 11.019 29.377 474 HH12 ARG 62 HH12 ARG 62 12.033 12.690 29.770 475 HH21 ARG 62 HH21 ARG 62 12.171 13.788 26.497 476 HH22 ARG 62 HH22 ARG 62 11.983 14.235 28.160 477 H PHE 63 H PHE 63 15.908 5.920 26.519 478 HA PHE 63 HA PHE 63 15.291 3.667 28.103 479 HB2 PHE 63 HB2 PHE 63 17.005 3.850 25.625 480 HB3 PHE 63 HB3 PHE 63 16.394 2.365 26.322 481 HD1 PHE 63 HD1 PHE 63 13.602 3.233 27.038 482 HD2 PHE 63 HD2 PHE 63 15.971 3.928 23.521 483 HE1 PHE 63 HE1 PHE 63 11.534 3.479 25.693 484 HE2 PHE 63 HE2 PHE 63 13.902 4.177 22.177 485 HZ PHE 63 HZ PHE 63 11.684 3.952 23.262 486 H GLY 64 H GLY 64 18.309 5.405 27.585 487 HA2 GLY 64 HA2 GLY 64 20.104 5.327 29.161 488 HA3 GLY 64 HA3 GLY 64 19.580 3.720 29.635 489 H ARG 65 H ARG 65 19.449 3.605 26.348 490 HA ARG 65 HA ARG 65 21.694 1.953 26.024 491 HB2 ARG 65 HB2 ARG 65 20.165 3.559 23.959 492 HB3 ARG 65 HB3 ARG 65 21.289 2.248 23.595 493 HG2 ARG 65 HG2 ARG 65 19.907 0.675 24.871 494 HG3 ARG 65 HG3 ARG 65 18.795 1.975 25.301 495 HD2 ARG 65 HD2 ARG 65 17.814 0.820 23.442 496 HD3 ARG 65 HD3 ARG 65 18.430 2.351 22.827 497 HE ARG 65 HE ARG 65 20.404 0.322 22.571 498 HH11 ARG 65 HH11 ARG 65 17.403 1.399 21.097 499 HH12 ARG 65 HH12 ARG 65 17.782 0.683 19.567 500 HH21 ARG 65 HH21 ARG 65 20.836 -0.582 20.575 501 HH22 ARG 65 HH22 ARG 65 19.701 -0.427 19.276 502 H ASN 66 H ASN 66 21.254 5.421 25.430 503 HA ASN 66 HA ASN 66 24.154 5.664 24.891 504 HB2 ASN 66 HB2 ASN 66 22.492 6.517 23.173 505 HB3 ASN 66 HB3 ASN 66 22.017 7.732 24.355 506 HD21 ASN 66 HD21 ASN 66 23.127 8.592 21.930 507 HD22 ASN 66 HD22 ASN 66 24.684 9.213 22.205 508 H ARG 67 H ARG 67 25.325 6.308 26.567 509 HA ARG 67 HA ARG 67 24.021 7.699 28.788 510 HB2 ARG 67 HB2 ARG 67 26.748 6.426 28.542 511 HB3 ARG 67 HB3 ARG 67 26.127 7.194 30.005 512 HG2 ARG 67 HG2 ARG 67 24.180 5.631 29.951 513 HG3 ARG 67 HG3 ARG 67 24.913 4.812 28.574 514 HD2 ARG 67 HD2 ARG 67 26.126 5.081 31.340 515 HD3 ARG 67 HD3 ARG 67 25.435 3.618 30.650 516 HE ARG 67 HE ARG 67 27.548 4.732 29.040 517 HH11 ARG 67 HH11 ARG 67 26.896 2.648 31.788 518 HH12 ARG 67 HH12 ARG 67 28.390 1.787 31.615 519 HH21 ARG 67 HH21 ARG 67 29.453 3.593 28.868 520 HH22 ARG 67 HH22 ARG 67 29.819 2.317 29.981 521 H ARG 68 H ARG 68 25.527 8.759 26.034 522 HA ARG 68 HA ARG 68 27.361 10.690 27.012 523 HB2 ARG 68 HB2 ARG 68 25.700 10.726 24.478 524 HB3 ARG 68 HB3 ARG 68 27.097 11.749 24.803 525 HG2 ARG 68 HG2 ARG 68 27.197 8.721 24.777 526 HG3 ARG 68 HG3 ARG 68 27.615 9.729 23.393 527 HD2 ARG 68 HD2 ARG 68 29.321 10.885 24.829 528 HD3 ARG 68 HD3 ARG 68 28.972 9.723 26.103 529 HE ARG 68 HE ARG 68 29.547 8.159 23.938 530 HH11 ARG 68 HH11 ARG 68 31.276 10.756 25.553 531 HH12 ARG 68 HH12 ARG 68 32.830 10.110 25.144 532 HH21 ARG 68 HH21 ARG 68 31.580 7.374 23.449 533 HH22 ARG 68 HH22 ARG 68 32.998 8.221 23.969 534 H GLY 69 H GLY 69 27.110 12.786 27.633 535 HA2 GLY 69 HA2 GLY 69 24.443 13.681 28.359 536 HA3 GLY 69 HA3 GLY 69 25.958 14.514 28.703 537 H ARG 70 H ARG 70 23.548 15.721 27.647 538 HA ARG 70 HA ARG 70 23.476 15.992 24.875 539 HB2 ARG 70 HB2 ARG 70 22.780 18.032 26.999 540 HB3 ARG 70 HB3 ARG 70 22.331 18.156 25.298 541 HG2 ARG 70 HG2 ARG 70 21.151 15.961 25.495 542 HG3 ARG 70 HG3 ARG 70 21.508 15.964 27.223 543 HD2 ARG 70 HD2 ARG 70 20.336 18.183 27.389 544 HD3 ARG 70 HD3 ARG 70 19.853 17.997 25.707 545 HE ARG 70 HE ARG 70 19.147 15.776 27.443 546 HH11 ARG 70 HH11 ARG 70 18.068 18.813 26.049 547 HH12 ARG 70 HH12 ARG 70 16.393 18.432 26.268 548 HH21 ARG 70 HH21 ARG 70 16.976 15.344 27.701 549 HH22 ARG 70 HH22 ARG 70 15.783 16.493 27.192 550 H THR 71 H THR 71 25.432 17.737 27.254 551 HA THR 71 HA THR 71 26.450 19.724 25.539 552 HB THR 71 HB THR 71 27.863 18.436 27.887 553 HG1 THR 71 HG1 THR 71 26.835 20.208 28.947 554 HG21 THR 71 HG21 THR 71 28.104 21.152 26.561 555 HG22 THR 71 HG22 THR 71 29.313 19.869 26.543 556 HG23 THR 71 HG23 THR 71 28.919 20.687 28.054 557 H GLU 72 H GLU 72 27.611 16.452 26.279 558 HA GLU 72 HA GLU 72 30.032 16.675 24.803 559 HB2 GLU 72 HB2 GLU 72 28.456 14.236 25.652 560 HB3 GLU 72 HB3 GLU 72 30.093 14.202 24.996 561 HG2 GLU 72 HG2 GLU 72 30.836 15.692 26.843 562 HG3 GLU 72 HG3 GLU 72 29.215 15.625 27.522 563 H ILE 73 H ILE 73 26.791 15.499 23.984 564 HA ILE 73 HA ILE 73 27.442 14.377 21.480 565 HB ILE 73 HB ILE 73 24.824 15.613 22.376 566 HG12 ILE 73 HG12 ILE 73 25.709 12.716 22.422 567 HG13 ILE 73 HG13 ILE 73 25.787 13.773 23.831 568 HG21 ILE 73 HG21 ILE 73 25.374 13.525 20.244 569 HG22 ILE 73 HG22 ILE 73 25.051 15.225 19.904 570 HG23 ILE 73 HG23 ILE 73 23.808 14.223 20.655 571 HD11 ILE 73 HD11 ILE 73 23.708 12.528 23.930 572 HD12 ILE 73 HD12 ILE 73 23.302 12.996 22.280 573 HD13 ILE 73 HD13 ILE 73 23.328 14.210 23.560 574 H TYR 74 H TYR 74 26.479 17.663 22.418 575 HA TYR 74 HA TYR 74 26.187 18.719 19.827 576 HB2 TYR 74 HB2 TYR 74 27.045 20.078 22.382 577 HB3 TYR 74 HB3 TYR 74 26.610 20.920 20.908 578 HD1 TYR 74 HD1 TYR 74 24.257 19.331 20.009 579 HD2 TYR 74 HD2 TYR 74 25.396 20.676 23.927 580 HE1 TYR 74 HE1 TYR 74 21.879 19.294 20.712 581 HE2 TYR 74 HE2 TYR 74 23.018 20.637 24.630 582 HH TYR 74 HH TYR 74 20.770 19.101 23.357 583 H LYS 75 H LYS 75 29.048 18.343 21.879 584 HA LYS 75 HA LYS 75 30.855 19.855 20.352 585 HB2 LYS 75 HB2 LYS 75 31.316 18.933 22.622 586 HB3 LYS 75 HB3 LYS 75 31.449 17.327 21.907 587 HG2 LYS 75 HG2 LYS 75 33.270 18.157 20.434 588 HG3 LYS 75 HG3 LYS 75 33.170 19.729 21.229 589 HD2 LYS 75 HD2 LYS 75 33.637 18.589 23.413 590 HD3 LYS 75 HD3 LYS 75 33.895 17.087 22.525 591 HE2 LYS 75 HE2 LYS 75 36.063 18.053 22.834 592 HE3 LYS 75 HE3 LYS 75 35.631 18.346 21.149 593 HZ1 LYS 75 HZ1 LYS 75 34.597 20.496 22.378 594 HZ2 LYS 75 HZ2 LYS 75 36.128 20.455 21.641 595 HZ3 LYS 75 HZ3 LYS 75 35.983 20.221 23.317 596 H ILE 76 H ILE 76 29.850 16.462 20.088 597 HA ILE 76 HA ILE 76 31.678 15.730 18.055 598 HB ILE 76 HB ILE 76 28.938 14.568 18.589 599 HG12 ILE 76 HG12 ILE 76 30.255 14.564 20.649 600 HG13 ILE 76 HG13 ILE 76 30.144 12.931 20.008 601 HG21 ILE 76 HG21 ILE 76 30.073 12.487 17.693 602 HG22 ILE 76 HG22 ILE 76 31.400 13.527 17.176 603 HG23 ILE 76 HG23 ILE 76 29.786 13.756 16.503 604 HD11 ILE 76 HD11 ILE 76 32.504 14.577 20.476 605 HD12 ILE 76 HD12 ILE 76 32.475 13.951 18.829 606 HD13 ILE 76 HD13 ILE 76 32.390 12.843 20.196 607 H VAL 77 H VAL 77 28.434 17.145 17.943 608 HA VAL 77 HA VAL 77 27.943 16.790 15.197 609 HB VAL 77 HB VAL 77 27.023 19.029 17.020 610 HG11 VAL 77 HG11 VAL 77 26.227 18.150 14.254 611 HG12 VAL 77 HG12 VAL 77 26.477 19.783 14.870 612 HG13 VAL 77 HG13 VAL 77 25.032 18.882 15.324 613 HG21 VAL 77 HG21 VAL 77 25.565 16.497 16.232 614 HG22 VAL 77 HG22 VAL 77 25.114 17.658 17.480 615 HG23 VAL 77 HG23 VAL 77 26.523 16.623 17.707 616 H LYS 78 H LYS 78 29.530 19.441 16.957 617 HA LYS 78 HA LYS 78 29.995 21.103 14.727 618 HB2 LYS 78 HB2 LYS 78 31.606 20.830 17.273 619 HB3 LYS 78 HB3 LYS 78 31.718 22.169 16.130 620 HG2 LYS 78 HG2 LYS 78 29.236 22.545 16.479 621 HG3 LYS 78 HG3 LYS 78 29.319 21.381 17.801 622 HD2 LYS 78 HD2 LYS 78 31.005 23.896 17.618 623 HD3 LYS 78 HD3 LYS 78 29.538 23.742 18.583 624 HE2 LYS 78 HE2 LYS 78 30.572 21.887 19.852 625 HE3 LYS 78 HE3 LYS 78 32.048 22.069 18.904 626 HZ1 LYS 78 HZ1 LYS 78 32.401 23.281 20.855 627 HZ2 LYS 78 HZ2 LYS 78 30.857 23.987 20.815 628 HZ3 LYS 78 HZ3 LYS 78 32.036 24.453 19.685 629 H GLU 79 H GLU 79 31.874 18.433 16.111 630 HA GLU 79 HA GLU 79 34.199 18.816 14.541 631 HB2 GLU 79 HB2 GLU 79 33.087 16.312 15.824 632 HB3 GLU 79 HB3 GLU 79 34.694 16.441 15.108 633 HG2 GLU 79 HG2 GLU 79 33.651 18.152 17.380 634 HG3 GLU 79 HG3 GLU 79 34.752 16.794 17.560 635 H VAL 80 H VAL 80 31.256 16.886 14.015 636 HA VAL 80 HA VAL 80 32.140 15.535 11.704 637 HB VAL 80 HB VAL 80 29.315 16.371 12.423 638 HG11 VAL 80 HG11 VAL 80 28.855 14.208 11.052 639 HG12 VAL 80 HG12 VAL 80 30.467 14.472 10.388 640 HG13 VAL 80 HG13 VAL 80 29.214 15.694 10.174 641 HG21 VAL 80 HG21 VAL 80 29.126 14.444 13.704 642 HG22 VAL 80 HG22 VAL 80 30.804 14.865 14.029 643 HG23 VAL 80 HG23 VAL 80 30.425 13.612 12.851 644 H ASP 81 H ASP 81 30.352 18.586 12.099 645 HA ASP 81 HA ASP 81 30.244 19.291 9.371 646 HB2 ASP 81 HB2 ASP 81 28.975 20.398 11.244 647 HB3 ASP 81 HB3 ASP 81 30.475 21.199 11.707 648 H ARG 82 H ARG 82 32.719 19.808 11.849 649 HA ARG 82 HA ARG 82 34.322 21.642 10.462 650 HB2 ARG 82 HB2 ARG 82 34.513 20.994 12.888 651 HB3 ARG 82 HB3 ARG 82 35.308 19.512 12.369 652 HG2 ARG 82 HG2 ARG 82 36.402 22.052 11.244 653 HG3 ARG 82 HG3 ARG 82 36.649 21.793 12.965 654 HD2 ARG 82 HD2 ARG 82 37.363 19.744 10.853 655 HD3 ARG 82 HD3 ARG 82 38.504 20.913 11.508 656 HE ARG 82 HE ARG 82 37.118 19.299 13.486 657 HH11 ARG 82 HH11 ARG 82 39.993 19.591 11.490 658 HH12 ARG 82 HH12 ARG 82 40.918 18.525 12.495 659 HH21 ARG 82 HH21 ARG 82 38.358 17.936 14.737 660 HH22 ARG 82 HH22 ARG 82 40.003 17.601 14.310 661 H LYS 83 H LYS 83 34.466 18.077 10.533 662 HA LYS 83 HA LYS 83 36.713 17.831 8.839 663 HB2 LYS 83 HB2 LYS 83 34.412 15.895 9.198 664 HB3 LYS 83 HB3 LYS 83 35.990 15.512 8.511 665 HG2 LYS 83 HG2 LYS 83 35.546 16.544 11.326 666 HG3 LYS 83 HG3 LYS 83 35.804 14.852 10.909 667 HD2 LYS 83 HD2 LYS 83 37.991 15.532 9.850 668 HD3 LYS 83 HD3 LYS 83 37.746 17.147 10.519 669 HE2 LYS 83 HE2 LYS 83 37.879 16.375 12.749 670 HE3 LYS 83 HE3 LYS 83 37.633 14.696 12.269 671 HZ1 LYS 83 HZ1 LYS 83 39.932 16.015 11.089 672 HZ2 LYS 83 HZ2 LYS 83 39.777 14.443 11.714 673 HZ3 LYS 83 HZ3 LYS 83 40.025 15.755 12.762 674 H LEU 84 H LEU 84 33.231 17.906 8.137 675 HA LEU 84 HA LEU 84 33.498 17.537 5.336 676 HB2 LEU 84 HB2 LEU 84 31.382 17.531 6.961 677 HB3 LEU 84 HB3 LEU 84 31.278 19.206 6.443 678 HG LEU 84 HG LEU 84 29.898 17.861 4.984 679 HD11 LEU 84 HD11 LEU 84 30.726 18.494 2.857 680 HD12 LEU 84 HD12 LEU 84 32.403 18.376 3.384 681 HD13 LEU 84 HD13 LEU 84 31.385 19.689 3.976 682 HD21 LEU 84 HD21 LEU 84 30.611 15.905 3.874 683 HD22 LEU 84 HD22 LEU 84 31.283 15.746 5.496 684 HD23 LEU 84 HD23 LEU 84 32.315 16.258 4.161 685 H LEU 85 H LEU 85 33.400 20.429 7.392 686 HA LEU 85 HA LEU 85 33.467 22.362 5.340 687 HB2 LEU 85 HB2 LEU 85 33.000 22.817 7.759 688 HB3 LEU 85 HB3 LEU 85 34.713 22.566 8.092 689 HG LEU 85 HG LEU 85 35.119 24.355 6.257 690 HD11 LEU 85 HD11 LEU 85 32.776 24.343 5.424 691 HD12 LEU 85 HD12 LEU 85 33.273 25.947 5.966 692 HD13 LEU 85 HD13 LEU 85 32.236 24.953 6.988 693 HD21 LEU 85 HD21 LEU 85 34.914 26.144 7.914 694 HD22 LEU 85 HD22 LEU 85 35.470 24.672 8.710 695 HD23 LEU 85 HD23 LEU 85 33.785 25.172 8.858 696 H ASP 86 H ASP 86 36.069 20.703 7.110 697 HA ASP 86 HA ASP 86 38.235 21.977 5.825 698 HB2 ASP 86 HB2 ASP 86 37.999 19.221 7.044 699 HB3 ASP 86 HB3 ASP 86 39.514 19.918 6.483 700 H LEU 87 H LEU 87 36.352 19.092 4.986 701 HA LEU 87 HA LEU 87 37.853 18.237 2.776 702 HB2 LEU 87 HB2 LEU 87 35.940 17.022 3.886 703 HB3 LEU 87 HB3 LEU 87 34.840 18.100 3.030 704 HG LEU 87 HG LEU 87 36.951 16.655 1.462 705 HD11 LEU 87 HD11 LEU 87 36.005 14.847 2.749 706 HD12 LEU 87 HD12 LEU 87 35.284 14.785 1.143 707 HD13 LEU 87 HD13 LEU 87 34.368 15.452 2.494 708 HD21 LEU 87 HD21 LEU 87 35.723 18.123 0.113 709 HD22 LEU 87 HD22 LEU 87 34.228 17.845 1.004 710 HD23 LEU 87 HD23 LEU 87 34.837 16.613 -0.103 711 H THR 88 H THR 88 35.187 20.579 3.008 712 HA THR 88 HA THR 88 35.023 21.250 0.281 713 HB THR 88 HB THR 88 34.556 23.077 2.649 714 HG1 THR 88 HG1 THR 88 32.897 21.886 2.962 715 HG21 THR 88 HG21 THR 88 32.837 24.016 1.001 716 HG22 THR 88 HG22 THR 88 33.681 23.094 -0.244 717 HG23 THR 88 HG23 THR 88 34.529 24.361 0.645 718 H ASP 89 H ASP 89 37.028 22.566 2.902 719 HA ASP 89 HA ASP 89 38.308 24.601 1.450 720 HB2 ASP 89 HB2 ASP 89 38.434 24.217 3.942 721 HB3 ASP 89 HB3 ASP 89 39.572 22.912 3.616 722 H ALA 90 H ALA 90 39.062 21.153 1.794 723 HA ALA 90 HA ALA 90 41.531 21.200 0.413 724 HB1 ALA 90 HB1 ALA 90 39.684 18.833 0.346 725 HB2 ALA 90 HB2 ALA 90 40.439 19.326 1.862 726 HB3 ALA 90 HB3 ALA 90 41.441 18.867 0.485 727 H VAL 91 H VAL 91 38.218 20.458 -0.697 728 HA VAL 91 HA VAL 91 38.844 19.948 -3.387 729 HB VAL 91 HB VAL 91 36.315 21.151 -2.223 730 HG11 VAL 91 HG11 VAL 91 35.250 20.162 -4.252 731 HG12 VAL 91 HG12 VAL 91 36.852 19.753 -4.862 732 HG13 VAL 91 HG13 VAL 91 36.394 21.444 -4.654 733 HG21 VAL 91 HG21 VAL 91 37.148 18.893 -1.334 734 HG22 VAL 91 HG22 VAL 91 36.866 18.273 -2.961 735 HG23 VAL 91 HG23 VAL 91 35.521 18.913 -2.016 736 H LEU 92 H LEU 92 38.022 22.991 -1.736 737 HA LEU 92 HA LEU 92 38.172 24.723 -3.932 738 HB2 LEU 92 HB2 LEU 92 37.421 25.351 -1.631 739 HB3 LEU 92 HB3 LEU 92 39.105 25.295 -1.110 740 HG LEU 92 HG LEU 92 39.601 26.964 -2.976 741 HD11 LEU 92 HD11 LEU 92 37.539 28.341 -3.590 742 HD12 LEU 92 HD12 LEU 92 36.575 26.998 -2.975 743 HD13 LEU 92 HD13 LEU 92 37.654 26.754 -4.349 744 HD21 LEU 92 HD21 LEU 92 39.533 27.681 -0.660 745 HD22 LEU 92 HD22 LEU 92 37.770 27.709 -0.677 746 HD23 LEU 92 HD23 LEU 92 38.680 28.882 -1.630 747 H ALA 93 H ALA 93 40.721 23.440 -1.827 748 HA ALA 93 HA ALA 93 42.862 24.867 -3.043 749 HB1 ALA 93 HB1 ALA 93 42.759 23.646 -0.758 750 HB2 ALA 93 HB2 ALA 93 44.271 23.629 -1.667 751 HB3 ALA 93 HB3 ALA 93 43.214 22.217 -1.685 752 H LYS 94 H LYS 94 41.015 22.277 -4.264 753 HA LYS 94 HA LYS 94 41.206 21.021 -6.159 754 HB2 LYS 94 HB2 LYS 94 43.640 22.714 -6.789 755 HB3 LYS 94 HB3 LYS 94 42.708 21.736 -7.916 756 HG2 LYS 94 HG2 LYS 94 41.592 24.082 -6.354 757 HG3 LYS 94 HG3 LYS 94 42.111 24.149 -8.039 758 HD2 LYS 94 HD2 LYS 94 40.465 22.317 -8.547 759 HD3 LYS 94 HD3 LYS 94 39.869 22.466 -6.893 760 HE2 LYS 94 HE2 LYS 94 40.050 24.895 -8.659 761 HE3 LYS 94 HE3 LYS 94 38.665 23.811 -8.780 762 HZ1 LYS 94 HZ1 LYS 94 38.194 24.128 -6.474 763 HZ2 LYS 94 HZ2 LYS 94 38.344 25.659 -7.197 764 HZ3 LYS 94 HZ3 LYS 94 39.609 25.037 -6.247 765 H GLU 95 H GLU 95 41.988 19.681 -4.056 766 HA GLU 95 HA GLU 95 44.625 18.770 -3.861 767 HB2 GLU 95 HB2 GLU 95 42.038 17.275 -3.371 768 HB3 GLU 95 HB3 GLU 95 43.629 16.699 -2.885 769 HG2 GLU 95 HG2 GLU 95 42.277 19.241 -1.945 770 HG3 GLU 95 HG3 GLU 95 42.523 17.780 -0.997 771 H LYS 96 H LYS 96 45.827 17.263 -4.934 772 HA LYS 96 HA LYS 96 44.742 16.278 -7.468 773 HB2 LYS 96 HB2 LYS 96 47.564 16.140 -6.395 774 HB3 LYS 96 HB3 LYS 96 47.049 15.728 -8.030 775 HG2 LYS 96 HG2 LYS 96 46.738 18.465 -6.760 776 HG3 LYS 96 HG3 LYS 96 48.017 18.020 -7.888 777 HD2 LYS 96 HD2 LYS 96 46.224 17.410 -9.555 778 HD3 LYS 96 HD3 LYS 96 45.039 18.100 -8.445 779 HE2 LYS 96 HE2 LYS 96 45.576 19.849 -9.970 780 HE3 LYS 96 HE3 LYS 96 46.440 20.230 -8.481 781 HZ1 LYS 96 HZ1 LYS 96 47.639 18.758 -10.760 782 HZ2 LYS 96 HZ2 LYS 96 48.440 19.350 -9.383 783 HZ3 LYS 96 HZ3 LYS 96 47.800 20.430 -10.527 784 H LYS 97 H LYS 97 44.767 15.039 -4.390 785 HA LYS 97 HA LYS 97 44.785 12.282 -5.450 786 HB2 LYS 97 HB2 LYS 97 45.842 11.501 -3.371 787 HB3 LYS 97 HB3 LYS 97 46.891 12.615 -4.248 788 HG2 LYS 97 HG2 LYS 97 46.198 14.456 -2.771 789 HG3 LYS 97 HG3 LYS 97 45.107 13.369 -1.912 790 HD2 LYS 97 HD2 LYS 97 47.050 13.393 -0.567 791 HD3 LYS 97 HD3 LYS 97 47.195 11.906 -1.500 792 HE2 LYS 97 HE2 LYS 97 49.306 12.774 -1.847 793 HE3 LYS 97 HE3 LYS 97 48.467 13.522 -3.204 794 HZ1 LYS 97 HZ1 LYS 97 49.075 15.460 -2.355 795 HZ2 LYS 97 HZ2 LYS 97 49.651 14.740 -0.927 796 HZ3 LYS 97 HZ3 LYS 97 48.015 15.181 -1.060 797 H GLY 98 H GLY 98 43.461 10.794 -4.281 798 HA2 GLY 98 HA2 GLY 98 41.131 12.130 -3.095 799 HA3 GLY 98 HA3 GLY 98 41.159 10.506 -3.766 800 H GLU 99 H GLU 99 43.747 10.008 -2.175 801 HA GLU 99 HA GLU 99 42.581 8.553 -0.106 802 HB2 GLU 99 HB2 GLU 99 45.402 9.630 -0.310 803 HB3 GLU 99 HB3 GLU 99 44.872 8.396 0.834 804 HG2 GLU 99 HG2 GLU 99 44.137 6.980 -1.073 805 HG3 GLU 99 HG3 GLU 99 44.756 8.192 -2.187 806 H ASP 100 H ASP 100 43.866 11.860 -0.081 807 HA ASP 100 HA ASP 100 43.706 12.294 2.699 808 HB2 ASP 100 HB2 ASP 100 43.475 14.199 0.368 809 HB3 ASP 100 HB3 ASP 100 43.494 14.727 2.046 810 H ILE 101 H ILE 101 41.317 12.676 0.116 811 HA ILE 101 HA ILE 101 39.313 13.849 1.781 812 HB ILE 101 HB ILE 101 38.970 12.393 -0.857 813 HG12 ILE 101 HG12 ILE 101 39.333 15.359 -0.322 814 HG13 ILE 101 HG13 ILE 101 40.611 14.301 -0.920 815 HG21 ILE 101 HG21 ILE 101 37.271 14.500 0.508 816 HG22 ILE 101 HG22 ILE 101 36.887 12.778 0.472 817 HG23 ILE 101 HG23 ILE 101 36.913 13.711 -1.027 818 HD11 ILE 101 HD11 ILE 101 39.525 15.471 -2.792 819 HD12 ILE 101 HD12 ILE 101 37.959 14.826 -2.298 820 HD13 ILE 101 HD13 ILE 101 39.215 13.738 -2.885 821 H LEU 102 H LEU 102 39.996 10.545 0.691 822 HA LEU 102 HA LEU 102 37.566 9.401 1.529 823 HB2 LEU 102 HB2 LEU 102 40.286 8.129 1.188 824 HB3 LEU 102 HB3 LEU 102 38.775 7.242 1.379 825 HG LEU 102 HG LEU 102 39.256 9.273 -0.817 826 HD11 LEU 102 HD11 LEU 102 39.292 7.100 -2.231 827 HD12 LEU 102 HD12 LEU 102 39.666 6.286 -0.711 828 HD13 LEU 102 HD13 LEU 102 40.755 7.522 -1.341 829 HD21 LEU 102 HD21 LEU 102 37.292 7.912 -1.796 830 HD22 LEU 102 HD22 LEU 102 36.922 9.015 -0.471 831 HD23 LEU 102 HD23 LEU 102 37.078 7.286 -0.162 832 H ASN 103 H ASN 103 40.677 9.723 3.268 833 HA ASN 103 HA ASN 103 39.856 8.157 5.473 834 HB2 ASN 103 HB2 ASN 103 41.721 9.203 6.713 835 HB3 ASN 103 HB3 ASN 103 42.197 8.548 5.154 836 HD21 ASN 103 HD21 ASN 103 43.924 9.926 4.629 837 HD22 ASN 103 HD22 ASN 103 43.791 11.613 4.513 838 H MET 104 H MET 104 39.368 11.563 4.738 839 HA MET 104 HA MET 104 38.407 12.336 7.289 840 HB2 MET 104 HB2 MET 104 37.808 13.413 4.526 841 HB3 MET 104 HB3 MET 104 37.280 14.181 6.025 842 HG2 MET 104 HG2 MET 104 39.654 14.297 6.768 843 HG3 MET 104 HG3 MET 104 40.148 13.629 5.214 844 HE1 MET 104 HE1 MET 104 41.236 17.354 5.113 845 HE2 MET 104 HE2 MET 104 41.695 15.767 4.498 846 HE3 MET 104 HE3 MET 104 41.406 15.987 6.222 847 H VAL 105 H VAL 105 36.840 10.861 4.479 848 HA VAL 105 HA VAL 105 34.171 11.067 5.317 849 HB VAL 105 HB VAL 105 35.467 8.837 3.727 850 HG11 VAL 105 HG11 VAL 105 32.614 9.654 4.241 851 HG12 VAL 105 HG12 VAL 105 33.327 8.041 4.276 852 HG13 VAL 105 HG13 VAL 105 33.052 8.852 2.733 853 HG21 VAL 105 HG21 VAL 105 34.919 10.130 1.769 854 HG22 VAL 105 HG22 VAL 105 35.792 11.200 2.865 855 HG23 VAL 105 HG23 VAL 105 34.039 11.318 2.731 856 H ALA 106 H ALA 106 36.665 8.655 6.077 857 HA ALA 106 HA ALA 106 35.062 6.851 7.511 858 HB1 ALA 106 HB1 ALA 106 37.283 6.181 6.980 859 HB2 ALA 106 HB2 ALA 106 37.240 6.334 8.736 860 HB3 ALA 106 HB3 ALA 106 37.976 7.604 7.759 861 H GLU 107 H GLU 107 36.709 9.823 8.545 862 HA GLU 107 HA GLU 107 36.037 9.604 11.296 863 HB2 GLU 107 HB2 GLU 107 36.637 12.046 9.610 864 HB3 GLU 107 HB3 GLU 107 36.547 12.031 11.371 865 HG2 GLU 107 HG2 GLU 107 38.347 10.315 11.423 866 HG3 GLU 107 HG3 GLU 107 38.469 10.419 9.671 867 H ILE 108 H ILE 108 34.448 11.183 8.535 868 HA ILE 108 HA ILE 108 32.297 12.340 9.919 869 HB ILE 108 HB ILE 108 32.401 11.211 7.106 870 HG12 ILE 108 HG12 ILE 108 32.691 14.062 8.083 871 HG13 ILE 108 HG13 ILE 108 34.063 13.008 7.765 872 HG21 ILE 108 HG21 ILE 108 30.500 13.290 8.230 873 HG22 ILE 108 HG22 ILE 108 30.066 11.593 8.028 874 HG23 ILE 108 HG23 ILE 108 30.466 12.573 6.618 875 HD11 ILE 108 HD11 ILE 108 33.030 14.653 5.898 876 HD12 ILE 108 HD12 ILE 108 32.042 13.229 5.583 877 HD13 ILE 108 HD13 ILE 108 33.798 13.123 5.491 878 H LYS 109 H LYS 109 32.722 9.079 8.590 879 HA LYS 109 HA LYS 109 30.117 8.154 9.313 880 HB2 LYS 109 HB2 LYS 109 32.673 6.671 8.667 881 HB3 LYS 109 HB3 LYS 109 31.098 5.904 8.877 882 HG2 LYS 109 HG2 LYS 109 30.172 7.122 7.015 883 HG3 LYS 109 HG3 LYS 109 31.618 8.122 6.884 884 HD2 LYS 109 HD2 LYS 109 31.772 6.447 5.175 885 HD3 LYS 109 HD3 LYS 109 32.925 6.003 6.430 886 HE2 LYS 109 HE2 LYS 109 31.244 4.437 7.387 887 HE3 LYS 109 HE3 LYS 109 30.146 4.843 6.069 888 HZ1 LYS 109 HZ1 LYS 109 32.696 4.166 5.052 889 HZ2 LYS 109 HZ2 LYS 109 31.194 3.434 4.747 890 HZ3 LYS 109 HZ3 LYS 109 32.137 2.925 6.065 891 H ALA 110 H ALA 110 33.331 7.842 10.816 892 HA ALA 110 HA ALA 110 32.531 5.925 12.735 893 HB1 ALA 110 HB1 ALA 110 34.697 6.483 13.833 894 HB2 ALA 110 HB2 ALA 110 34.893 7.807 12.684 895 HB3 ALA 110 HB3 ALA 110 34.849 6.140 12.109 896 H LEU 111 H LEU 111 32.705 9.468 12.897 897 HA LEU 111 HA LEU 111 32.700 9.747 15.672 898 HB2 LEU 111 HB2 LEU 111 31.580 11.542 13.519 899 HB3 LEU 111 HB3 LEU 111 31.688 12.009 15.216 900 HG LEU 111 HG LEU 111 34.113 10.958 13.774 901 HD11 LEU 111 HD11 LEU 111 32.994 12.922 12.535 902 HD12 LEU 111 HD12 LEU 111 34.684 13.127 12.996 903 HD13 LEU 111 HD13 LEU 111 33.413 13.892 13.948 904 HD21 LEU 111 HD21 LEU 111 35.285 12.217 15.486 905 HD22 LEU 111 HD22 LEU 111 34.050 11.238 16.277 906 HD23 LEU 111 HD23 LEU 111 33.781 12.962 16.026 907 H LEU 112 H LEU 112 29.902 9.571 13.460 908 HA LEU 112 HA LEU 112 28.012 9.960 15.601 909 HB2 LEU 112 HB2 LEU 112 27.622 8.984 12.764 910 HB3 LEU 112 HB3 LEU 112 26.311 9.277 13.885 911 HG LEU 112 HG LEU 112 26.469 11.180 12.444 912 HD11 LEU 112 HD11 LEU 112 26.243 11.522 14.996 913 HD12 LEU 112 HD12 LEU 112 26.585 12.926 13.986 914 HD13 LEU 112 HD13 LEU 112 27.884 12.162 14.903 915 HD21 LEU 112 HD21 LEU 112 29.267 11.847 13.253 916 HD22 LEU 112 HD22 LEU 112 28.397 12.248 11.770 917 HD23 LEU 112 HD23 LEU 112 29.020 10.616 12.016 918 H ILE 113 H ILE 113 28.977 7.186 13.595 919 HA ILE 113 HA ILE 113 27.257 5.315 14.770 920 HB ILE 113 HB ILE 113 30.002 4.843 13.585 921 HG12 ILE 113 HG12 ILE 113 28.523 6.012 12.020 922 HG13 ILE 113 HG13 ILE 113 28.768 4.350 11.502 923 HG21 ILE 113 HG21 ILE 113 29.446 2.836 14.667 924 HG22 ILE 113 HG22 ILE 113 28.857 2.582 13.023 925 HG23 ILE 113 HG23 ILE 113 27.727 3.008 14.309 926 HD11 ILE 113 HD11 ILE 113 26.425 4.891 11.249 927 HD12 ILE 113 HD12 ILE 113 26.331 5.486 12.902 928 HD13 ILE 113 HD13 ILE 113 26.567 3.766 12.596 929 H ASN 114 H ASN 114 30.509 6.370 15.706 930 HA ASN 114 HA ASN 114 30.555 4.533 17.968 931 HB2 ASN 114 HB2 ASN 114 32.536 6.632 17.074 932 HB3 ASN 114 HB3 ASN 114 32.787 5.493 18.395 933 HD21 ASN 114 HD21 ASN 114 34.438 5.587 15.993 934 HD22 ASN 114 HD22 ASN 114 34.229 4.109 15.184 935 H ILE 115 H ILE 115 28.727 7.095 17.702 936 HA ILE 115 HA ILE 115 29.490 8.981 19.600 937 HB ILE 115 HB ILE 115 27.608 9.213 18.017 938 HG12 ILE 115 HG12 ILE 115 25.959 10.151 19.800 939 HG13 ILE 115 HG13 ILE 115 27.201 9.694 20.962 940 HG21 ILE 115 HG21 ILE 115 26.736 6.849 18.527 941 HG22 ILE 115 HG22 ILE 115 25.534 8.122 18.316 942 HG23 ILE 115 HG23 ILE 115 25.961 7.572 19.936 943 HD11 ILE 115 HD11 ILE 115 27.785 11.904 20.428 944 HD12 ILE 115 HD12 ILE 115 27.361 11.703 18.727 945 HD13 ILE 115 HD13 ILE 115 28.828 10.959 19.365 946 H TYR 116 H TYR 116 28.196 5.760 20.103 947 HA TYR 116 HA TYR 116 27.103 5.997 22.649 948 HB2 TYR 116 HB2 TYR 116 28.668 3.693 21.486 949 HB3 TYR 116 HB3 TYR 116 27.666 3.603 22.922 950 HD1 TYR 116 HD1 TYR 116 25.177 3.946 22.714 951 HD2 TYR 116 HD2 TYR 116 27.752 3.560 19.298 952 HE1 TYR 116 HE1 TYR 116 23.212 3.438 21.289 953 HE2 TYR 116 HE2 TYR 116 25.787 3.051 17.873 954 HH TYR 116 HH TYR 116 23.020 3.693 18.299 955 H LYS 117 H LYS 117 27.951 5.429 24.735 956 HA LYS 117 HA LYS 117 30.709 6.404 25.082 957 HB2 LYS 117 HB2 LYS 117 28.846 7.574 26.273 958 HB3 LYS 117 HB3 LYS 117 28.535 6.082 27.161 959 HG2 LYS 117 HG2 LYS 117 30.878 6.117 27.994 960 HG3 LYS 117 HG3 LYS 117 31.124 7.657 27.171 961 HD2 LYS 117 HD2 LYS 117 29.218 8.606 28.495 962 HD3 LYS 117 HD3 LYS 117 29.151 7.093 29.401 963 HE2 LYS 117 HE2 LYS 117 31.201 7.465 30.443 964 HE3 LYS 117 HE3 LYS 117 31.769 8.544 29.169 965 HZ1 LYS 117 HZ1 LYS 117 29.406 9.521 30.442 966 HZ2 LYS 117 HZ2 LYS 117 30.899 10.293 30.194 967 HZ3 LYS 117 HZ3 LYS 117 30.670 9.298 31.552 Start of MODEL 13 1 H GLU 1 H GLU 1 13.313 0.038 3.351 2 HA GLU 1 HA GLU 1 14.953 -0.486 5.759 3 HB2 GLU 1 HB2 GLU 1 13.370 1.654 5.474 4 HB3 GLU 1 HB3 GLU 1 12.148 0.508 6.018 5 HG2 GLU 1 HG2 GLU 1 14.767 0.930 7.474 6 HG3 GLU 1 HG3 GLU 1 13.309 1.839 7.852 7 H ALA 2 H ALA 2 14.957 -2.693 5.799 8 HA ALA 2 HA ALA 2 12.741 -4.344 5.186 9 HB1 ALA 2 HB1 ALA 2 14.800 -5.210 7.174 10 HB2 ALA 2 HB2 ALA 2 15.307 -4.892 5.515 11 HB3 ALA 2 HB3 ALA 2 14.077 -6.114 5.842 12 H ALA 3 H ALA 3 11.203 -5.306 6.498 13 HA ALA 3 HA ALA 3 10.246 -3.806 8.686 14 HB1 ALA 3 HB1 ALA 3 8.881 -6.001 9.081 15 HB2 ALA 3 HB2 ALA 3 9.598 -6.508 7.551 16 HB3 ALA 3 HB3 ALA 3 8.596 -5.058 7.619 17 H ALA 4 H ALA 4 10.300 -4.158 10.893 18 HA ALA 4 HA ALA 4 11.988 -6.344 11.902 19 HB1 ALA 4 HB1 ALA 4 13.188 -4.008 11.609 20 HB2 ALA 4 HB2 ALA 4 13.457 -4.979 13.056 21 HB3 ALA 4 HB3 ALA 4 12.329 -3.624 13.100 22 H ALA 5 H ALA 5 11.562 -6.931 14.065 23 HA ALA 5 HA ALA 5 8.838 -6.711 14.816 24 HB1 ALA 5 HB1 ALA 5 9.689 -7.800 16.968 25 HB2 ALA 5 HB2 ALA 5 11.284 -7.782 16.215 26 HB3 ALA 5 HB3 ALA 5 9.966 -8.687 15.469 27 H ALA 6 H ALA 6 11.780 -5.110 15.973 28 HA ALA 6 HA ALA 6 10.146 -3.515 17.851 29 HB1 ALA 6 HB1 ALA 6 12.136 -3.112 19.087 30 HB2 ALA 6 HB2 ALA 6 13.158 -3.697 17.774 31 HB3 ALA 6 HB3 ALA 6 12.159 -4.829 18.686 32 H ARG 7 H ARG 7 9.984 -1.347 17.654 33 HA ARG 7 HA ARG 7 10.521 -0.118 15.170 34 HB2 ARG 7 HB2 ARG 7 9.880 1.109 17.860 35 HB3 ARG 7 HB3 ARG 7 9.890 1.991 16.331 36 HG2 ARG 7 HG2 ARG 7 8.189 0.400 15.442 37 HG3 ARG 7 HG3 ARG 7 8.122 -0.371 17.027 38 HD2 ARG 7 HD2 ARG 7 7.536 1.876 18.006 39 HD3 ARG 7 HD3 ARG 7 7.407 2.496 16.364 40 HE ARG 7 HE ARG 7 5.803 0.230 16.472 41 HH11 ARG 7 HH11 ARG 7 5.874 3.356 18.069 42 HH12 ARG 7 HH12 ARG 7 4.160 3.380 18.316 43 HH21 ARG 7 HH21 ARG 7 3.602 0.318 16.819 44 HH22 ARG 7 HH22 ARG 7 2.891 1.681 17.616 45 H ASP 8 H ASP 8 12.298 -0.128 18.230 46 HA ASP 8 HA ASP 8 14.039 2.003 17.668 47 HB2 ASP 8 HB2 ASP 8 15.482 1.079 19.398 48 HB3 ASP 8 HB3 ASP 8 13.799 0.997 19.907 49 H GLU 9 H GLU 9 14.282 -1.452 16.901 50 HA GLU 9 HA GLU 9 16.863 -1.295 15.709 51 HB2 GLU 9 HB2 GLU 9 14.603 -3.263 15.274 52 HB3 GLU 9 HB3 GLU 9 16.247 -3.470 14.671 53 HG2 GLU 9 HG2 GLU 9 15.478 -3.160 17.587 54 HG3 GLU 9 HG3 GLU 9 15.900 -4.678 16.804 55 H SER 10 H SER 10 13.564 -1.002 14.442 56 HA SER 10 HA SER 10 14.195 -0.868 11.707 57 HB2 SER 10 HB2 SER 10 11.943 0.560 13.138 58 HB3 SER 10 HB3 SER 10 12.019 0.168 11.423 59 HG SER 10 HG SER 10 11.495 -1.797 11.928 60 H ALA 11 H ALA 11 14.097 1.645 14.204 61 HA ALA 11 HA ALA 11 14.465 3.866 12.501 62 HB1 ALA 11 HB1 ALA 11 13.794 4.396 14.685 63 HB2 ALA 11 HB2 ALA 11 15.489 4.883 14.654 64 HB3 ALA 11 HB3 ALA 11 15.023 3.361 15.413 65 H TYR 12 H TYR 12 16.770 1.714 14.122 66 HA TYR 12 HA TYR 12 19.131 3.093 13.481 67 HB2 TYR 12 HB2 TYR 12 19.015 1.217 15.072 68 HB3 TYR 12 HB3 TYR 12 18.689 0.116 13.746 69 HD1 TYR 12 HD1 TYR 12 21.233 2.296 15.315 70 HD2 TYR 12 HD2 TYR 12 20.454 -0.668 12.306 71 HE1 TYR 12 HE1 TYR 12 23.672 1.981 14.994 72 HE2 TYR 12 HE2 TYR 12 22.893 -0.983 11.984 73 HH TYR 12 HH TYR 12 24.970 0.359 12.408 74 H LEU 13 H LEU 13 17.353 0.585 11.691 75 HA LEU 13 HA LEU 13 19.204 0.237 9.609 76 HB2 LEU 13 HB2 LEU 13 16.190 -0.035 9.527 77 HB3 LEU 13 HB3 LEU 13 17.311 -0.695 8.337 78 HG LEU 13 HG LEU 13 17.340 -1.397 11.287 79 HD11 LEU 13 HD11 LEU 13 16.450 -3.143 8.983 80 HD12 LEU 13 HD12 LEU 13 15.315 -2.172 9.919 81 HD13 LEU 13 HD13 LEU 13 16.250 -3.442 10.709 82 HD21 LEU 13 HD21 LEU 13 19.517 -1.750 10.408 83 HD22 LEU 13 HD22 LEU 13 18.889 -2.323 8.863 84 HD23 LEU 13 HD23 LEU 13 18.743 -3.331 10.303 85 H LYS 14 H LYS 14 16.559 2.568 9.986 86 HA LYS 14 HA LYS 14 16.619 3.660 7.396 87 HB2 LYS 14 HB2 LYS 14 15.964 4.965 10.047 88 HB3 LYS 14 HB3 LYS 14 15.647 5.692 8.472 89 HG2 LYS 14 HG2 LYS 14 14.259 3.713 7.871 90 HG3 LYS 14 HG3 LYS 14 14.510 3.074 9.497 91 HD2 LYS 14 HD2 LYS 14 13.503 5.164 10.425 92 HD3 LYS 14 HD3 LYS 14 13.152 5.687 8.778 93 HE2 LYS 14 HE2 LYS 14 12.202 3.017 9.814 94 HE3 LYS 14 HE3 LYS 14 11.260 4.488 10.057 95 HZ1 LYS 14 HZ1 LYS 14 11.857 4.665 7.460 96 HZ2 LYS 14 HZ2 LYS 14 10.429 3.965 8.058 97 HZ3 LYS 14 HZ3 LYS 14 11.747 2.981 7.633 98 H LEU 15 H LEU 15 18.490 4.458 10.305 99 HA LEU 15 HA LEU 15 19.887 6.656 9.184 100 HB2 LEU 15 HB2 LEU 15 19.727 6.100 11.639 101 HB3 LEU 15 HB3 LEU 15 20.893 4.807 11.354 102 HG LEU 15 HG LEU 15 22.309 6.692 10.214 103 HD11 LEU 15 HD11 LEU 15 20.232 8.263 10.566 104 HD12 LEU 15 HD12 LEU 15 21.854 8.904 10.819 105 HD13 LEU 15 HD13 LEU 15 20.869 8.430 12.203 106 HD21 LEU 15 HD21 LEU 15 21.917 6.589 13.222 107 HD22 LEU 15 HD22 LEU 15 23.339 7.225 12.395 108 HD23 LEU 15 HD23 LEU 15 22.948 5.508 12.285 109 H GLN 16 H GLN 16 20.574 3.178 9.305 110 HA GLN 16 HA GLN 16 23.204 3.271 8.328 111 HB2 GLN 16 HB2 GLN 16 21.096 1.127 8.006 112 HB3 GLN 16 HB3 GLN 16 22.801 0.918 7.612 113 HG2 GLN 16 HG2 GLN 16 21.698 1.637 10.342 114 HG3 GLN 16 HG3 GLN 16 22.302 0.053 9.869 115 HE21 GLN 16 HE21 GLN 16 23.254 2.502 11.730 116 HE22 GLN 16 HE22 GLN 16 24.921 2.529 11.411 117 H GLU 17 H GLU 17 20.099 3.122 6.628 118 HA GLU 17 HA GLU 17 21.166 2.905 4.010 119 HB2 GLU 17 HB2 GLU 17 18.538 4.059 4.969 120 HB3 GLU 17 HB3 GLU 17 18.929 3.705 3.286 121 HG2 GLU 17 HG2 GLU 17 19.333 1.330 3.912 122 HG3 GLU 17 HG3 GLU 17 18.847 1.703 5.559 123 H GLN 18 H GLN 18 20.473 5.674 6.095 124 HA GLN 18 HA GLN 18 20.585 7.682 4.129 125 HB2 GLN 18 HB2 GLN 18 19.755 7.966 6.484 126 HB3 GLN 18 HB3 GLN 18 21.440 7.977 7.012 127 HG2 GLN 18 HG2 GLN 18 21.908 9.903 5.579 128 HG3 GLN 18 HG3 GLN 18 20.259 9.873 4.964 129 HE21 GLN 18 HE21 GLN 18 20.976 12.244 6.075 130 HE22 GLN 18 HE22 GLN 18 20.297 12.439 7.619 131 H MET 19 H MET 19 23.147 6.184 6.081 132 HA MET 19 HA MET 19 25.243 7.896 5.310 133 HB2 MET 19 HB2 MET 19 25.344 4.958 6.012 134 HB3 MET 19 HB3 MET 19 26.754 6.007 5.870 135 HG2 MET 19 HG2 MET 19 25.685 7.516 7.604 136 HG3 MET 19 HG3 MET 19 24.481 6.251 7.853 137 HE1 MET 19 HE1 MET 19 26.796 3.409 7.655 138 HE2 MET 19 HE2 MET 19 25.122 3.929 7.820 139 HE3 MET 19 HE3 MET 19 25.999 3.348 9.232 140 H ARG 20 H ARG 20 23.875 5.031 3.729 141 HA ARG 20 HA ARG 20 25.744 4.680 1.692 142 HB2 ARG 20 HB2 ARG 20 23.802 3.177 2.131 143 HB3 ARG 20 HB3 ARG 20 22.743 4.394 1.418 144 HG2 ARG 20 HG2 ARG 20 24.050 4.271 -0.689 145 HG3 ARG 20 HG3 ARG 20 25.051 3.006 0.023 146 HD2 ARG 20 HD2 ARG 20 22.995 1.631 0.363 147 HD3 ARG 20 HD3 ARG 20 22.066 2.870 -0.477 148 HE ARG 20 HE ARG 20 22.846 1.992 -2.455 149 HH11 ARG 20 HH11 ARG 20 25.101 1.057 0.067 150 HH12 ARG 20 HH12 ARG 20 26.084 0.131 -1.016 151 HH21 ARG 20 HH21 ARG 20 24.151 0.785 -3.804 152 HH22 ARG 20 HH22 ARG 20 25.551 -0.023 -3.180 153 H LYS 21 H LYS 21 23.052 6.983 1.912 154 HA LYS 21 HA LYS 21 23.314 8.109 -0.662 155 HB2 LYS 21 HB2 LYS 21 21.406 8.524 0.889 156 HB3 LYS 21 HB3 LYS 21 22.475 9.498 1.897 157 HG2 LYS 21 HG2 LYS 21 21.358 11.062 0.502 158 HG3 LYS 21 HG3 LYS 21 22.953 10.871 -0.225 159 HD2 LYS 21 HD2 LYS 21 22.053 9.281 -1.856 160 HD3 LYS 21 HD3 LYS 21 20.462 9.380 -1.100 161 HE2 LYS 21 HE2 LYS 21 20.152 11.627 -1.781 162 HE3 LYS 21 HE3 LYS 21 21.864 11.838 -2.149 163 HZ1 LYS 21 HZ1 LYS 21 21.581 10.132 -3.909 164 HZ2 LYS 21 HZ2 LYS 21 20.695 11.556 -4.185 165 HZ3 LYS 21 HZ3 LYS 21 19.909 10.160 -3.621 166 H ILE 22 H ILE 22 24.830 8.916 2.445 167 HA ILE 22 HA ILE 22 26.377 11.103 1.545 168 HB ILE 22 HB ILE 22 26.994 9.144 3.777 169 HG12 ILE 22 HG12 ILE 22 25.555 11.811 3.897 170 HG13 ILE 22 HG13 ILE 22 24.732 10.250 3.903 171 HG21 ILE 22 HG21 ILE 22 28.883 10.634 3.048 172 HG22 ILE 22 HG22 ILE 22 28.353 10.936 4.701 173 HG23 ILE 22 HG23 ILE 22 27.864 12.027 3.408 174 HD11 ILE 22 HD11 ILE 22 26.483 11.473 6.012 175 HD12 ILE 22 HD12 ILE 22 26.379 9.717 5.888 176 HD13 ILE 22 HD13 ILE 22 24.924 10.667 6.189 177 H ASP 23 H ASP 23 27.103 7.639 1.828 178 HA ASP 23 HA ASP 23 29.772 7.783 0.895 179 HB2 ASP 23 HB2 ASP 23 27.790 5.499 0.857 180 HB3 ASP 23 HB3 ASP 23 29.513 5.338 0.528 181 H ALA 24 H ALA 24 26.684 7.219 -0.753 182 HA ALA 24 HA ALA 24 27.764 6.575 -3.289 183 HB1 ALA 24 HB1 ALA 24 25.559 6.784 -4.119 184 HB2 ALA 24 HB2 ALA 24 25.108 7.938 -2.865 185 HB3 ALA 24 HB3 ALA 24 25.357 6.241 -2.453 186 H ASP 25 H ASP 25 26.518 9.640 -1.958 187 HA ASP 25 HA ASP 25 27.123 11.252 -4.184 188 HB2 ASP 25 HB2 ASP 25 27.053 11.955 -1.240 189 HB3 ASP 25 HB3 ASP 25 27.113 13.130 -2.551 190 H ALA 26 H ALA 26 29.060 10.329 -1.355 191 HA ALA 26 HA ALA 26 31.350 11.867 -1.967 192 HB1 ALA 26 HB1 ALA 26 31.027 9.275 -0.440 193 HB2 ALA 26 HB2 ALA 26 31.126 10.905 0.228 194 HB3 ALA 26 HB3 ALA 26 32.542 10.175 -0.530 195 H ALA 27 H ALA 27 30.400 8.559 -2.848 196 HA ALA 27 HA ALA 27 32.760 7.893 -4.258 197 HB1 ALA 27 HB1 ALA 27 31.642 5.979 -4.906 198 HB2 ALA 27 HB2 ALA 27 30.108 6.822 -5.126 199 HB3 ALA 27 HB3 ALA 27 30.680 6.444 -3.501 200 H ALA 28 H ALA 28 29.767 9.502 -5.246 201 HA ALA 28 HA ALA 28 30.305 9.510 -8.033 202 HB1 ALA 28 HB1 ALA 28 28.078 9.941 -7.562 203 HB2 ALA 28 HB2 ALA 28 28.677 11.569 -7.877 204 HB3 ALA 28 HB3 ALA 28 28.461 11.014 -6.217 205 H LEU 29 H LEU 29 30.862 11.941 -5.474 206 HA LEU 29 HA LEU 29 32.090 13.752 -7.348 207 HB2 LEU 29 HB2 LEU 29 32.430 15.237 -5.487 208 HB3 LEU 29 HB3 LEU 29 30.807 14.564 -5.399 209 HG LEU 29 HG LEU 29 32.133 12.725 -3.901 210 HD11 LEU 29 HD11 LEU 29 33.936 13.565 -2.704 211 HD12 LEU 29 HD12 LEU 29 33.467 15.246 -2.960 212 HD13 LEU 29 HD13 LEU 29 34.212 14.332 -4.266 213 HD21 LEU 29 HD21 LEU 29 31.336 13.966 -1.908 214 HD22 LEU 29 HD22 LEU 29 30.127 13.960 -3.190 215 HD23 LEU 29 HD23 LEU 29 31.103 15.401 -2.905 216 H SER 30 H SER 30 33.248 11.312 -5.112 217 HA SER 30 HA SER 30 35.896 12.137 -4.813 218 HB2 SER 30 HB2 SER 30 34.633 9.406 -4.875 219 HB3 SER 30 HB3 SER 30 36.364 9.616 -4.642 220 HG SER 30 HG SER 30 35.842 10.071 -2.678 221 H GLU 31 H GLU 31 34.349 10.490 -7.530 222 HA GLU 31 HA GLU 31 36.718 9.703 -8.863 223 HB2 GLU 31 HB2 GLU 31 33.960 10.321 -9.943 224 HB3 GLU 31 HB3 GLU 31 35.252 9.581 -10.881 225 HG2 GLU 31 HG2 GLU 31 33.972 8.442 -8.381 226 HG3 GLU 31 HG3 GLU 31 33.755 7.851 -10.023 227 H THR 32 H THR 32 34.781 12.669 -8.998 228 HA THR 32 HA THR 32 36.508 13.785 -11.073 229 HB THR 32 HB THR 32 34.943 15.666 -11.067 230 HG1 THR 32 HG1 THR 32 33.113 15.312 -9.634 231 HG21 THR 32 HG21 THR 32 33.230 13.204 -10.900 232 HG22 THR 32 HG22 THR 32 34.463 13.332 -12.154 233 HG23 THR 32 HG23 THR 32 33.167 14.525 -12.067 234 H ARG 33 H ARG 33 35.960 14.116 -7.624 235 HA ARG 33 HA ARG 33 36.930 15.419 -6.011 236 HB2 ARG 33 HB2 ARG 33 39.177 15.447 -8.040 237 HB3 ARG 33 HB3 ARG 33 39.327 15.978 -6.364 238 HG2 ARG 33 HG2 ARG 33 38.561 13.709 -5.630 239 HG3 ARG 33 HG3 ARG 33 38.590 13.199 -7.318 240 HD2 ARG 33 HD2 ARG 33 40.953 14.205 -5.715 241 HD3 ARG 33 HD3 ARG 33 40.671 12.543 -6.218 242 HE ARG 33 HE ARG 33 41.574 14.749 -7.899 243 HH11 ARG 33 HH11 ARG 33 40.346 11.462 -7.810 244 HH12 ARG 33 HH12 ARG 33 40.948 11.088 -9.391 245 HH21 ARG 33 HH21 ARG 33 42.325 14.210 -9.928 246 HH22 ARG 33 HH22 ARG 33 42.055 12.626 -10.573 247 H THR 34 H THR 34 35.118 16.904 -6.840 248 HA THR 34 HA THR 34 36.325 19.504 -7.562 249 HB THR 34 HB THR 34 35.249 18.569 -9.559 250 HG1 THR 34 HG1 THR 34 33.661 20.321 -9.674 251 HG21 THR 34 HG21 THR 34 32.717 18.575 -7.892 252 HG22 THR 34 HG22 THR 34 33.607 17.130 -8.369 253 HG23 THR 34 HG23 THR 34 32.844 18.141 -9.597 254 H ILE 35 H ILE 35 35.467 21.289 -6.611 255 HA ILE 35 HA ILE 35 34.027 20.887 -4.157 256 HB ILE 35 HB ILE 35 35.871 22.510 -4.385 257 HG12 ILE 35 HG12 ILE 35 33.257 23.890 -3.736 258 HG13 ILE 35 HG13 ILE 35 34.026 22.718 -2.665 259 HG21 ILE 35 HG21 ILE 35 35.765 24.414 -5.717 260 HG22 ILE 35 HG22 ILE 35 34.004 24.375 -5.812 261 HG23 ILE 35 HG23 ILE 35 34.963 23.229 -6.745 262 HD11 ILE 35 HD11 ILE 35 35.158 25.368 -3.593 263 HD12 ILE 35 HD12 ILE 35 36.111 24.147 -2.750 264 HD13 ILE 35 HD13 ILE 35 34.736 24.906 -1.946 265 H GLU 36 H GLU 36 32.983 21.481 -7.369 266 HA GLU 36 HA GLU 36 31.000 23.415 -7.023 267 HB2 GLU 36 HB2 GLU 36 31.081 21.087 -8.950 268 HB3 GLU 36 HB3 GLU 36 29.966 22.448 -9.065 269 HG2 GLU 36 HG2 GLU 36 31.917 23.993 -9.172 270 HG3 GLU 36 HG3 GLU 36 32.991 22.600 -9.158 271 H GLU 37 H GLU 37 30.812 19.895 -6.567 272 HA GLU 37 HA GLU 37 28.001 20.206 -5.710 273 HB2 GLU 37 HB2 GLU 37 27.777 17.814 -6.071 274 HB3 GLU 37 HB3 GLU 37 28.401 18.603 -7.518 275 HG2 GLU 37 HG2 GLU 37 30.716 17.965 -6.798 276 HG3 GLU 37 HG3 GLU 37 30.009 17.066 -5.462 277 H LEU 38 H LEU 38 30.685 20.553 -4.093 278 HA LEU 38 HA LEU 38 30.671 18.582 -2.070 279 HB2 LEU 38 HB2 LEU 38 32.514 20.211 -2.457 280 HB3 LEU 38 HB3 LEU 38 31.480 21.486 -1.811 281 HG LEU 38 HG LEU 38 31.245 20.094 0.293 282 HD11 LEU 38 HD11 LEU 38 31.841 17.914 -0.445 283 HD12 LEU 38 HD12 LEU 38 33.191 18.433 0.565 284 HD13 LEU 38 HD13 LEU 38 33.331 18.488 -1.193 285 HD21 LEU 38 HD21 LEU 38 33.610 20.622 1.062 286 HD22 LEU 38 HD22 LEU 38 32.748 21.972 0.327 287 HD23 LEU 38 HD23 LEU 38 33.963 21.093 -0.600 288 H ASP 39 H ASP 39 28.842 21.577 -2.471 289 HA ASP 39 HA ASP 39 27.830 21.859 0.116 290 HB2 ASP 39 HB2 ASP 39 26.560 22.545 -2.542 291 HB3 ASP 39 HB3 ASP 39 25.965 23.099 -0.979 292 H THR 40 H THR 40 26.678 19.864 -2.579 293 HA THR 40 HA THR 40 24.229 19.077 -1.413 294 HB THR 40 HB THR 40 24.238 17.244 -3.016 295 HG1 THR 40 HG1 THR 40 26.075 16.777 -4.099 296 HG21 THR 40 HG21 THR 40 24.654 18.566 -5.095 297 HG22 THR 40 HG22 THR 40 25.409 19.816 -4.105 298 HG23 THR 40 HG23 THR 40 23.698 19.443 -3.900 299 H PHE 41 H PHE 41 27.504 17.739 -1.152 300 HA PHE 41 HA PHE 41 26.842 15.440 0.344 301 HB2 PHE 41 HB2 PHE 41 29.034 15.663 -0.629 302 HB3 PHE 41 HB3 PHE 41 29.341 17.134 0.271 303 HD1 PHE 41 HD1 PHE 41 28.954 13.440 0.560 304 HD2 PHE 41 HD2 PHE 41 30.161 17.076 2.503 305 HE1 PHE 41 HE1 PHE 41 29.948 12.126 2.416 306 HE2 PHE 41 HE2 PHE 41 31.157 15.757 4.349 307 HZ PHE 41 HZ PHE 41 31.030 13.292 4.324 308 H LYS 42 H LYS 42 27.976 18.643 1.459 309 HA LYS 42 HA LYS 42 27.889 18.079 4.192 310 HB2 LYS 42 HB2 LYS 42 27.515 20.713 2.751 311 HB3 LYS 42 HB3 LYS 42 27.773 20.553 4.489 312 HG2 LYS 42 HG2 LYS 42 29.926 19.470 4.114 313 HG3 LYS 42 HG3 LYS 42 29.663 19.486 2.372 314 HD2 LYS 42 HD2 LYS 42 31.073 21.346 2.777 315 HD3 LYS 42 HD3 LYS 42 29.463 22.040 2.594 316 HE2 LYS 42 HE2 LYS 42 29.382 21.666 5.231 317 HE3 LYS 42 HE3 LYS 42 31.134 21.749 5.058 318 HZ1 LYS 42 HZ1 LYS 42 30.772 23.844 3.781 319 HZ2 LYS 42 HZ2 LYS 42 30.363 23.935 5.426 320 HZ3 LYS 42 HZ3 LYS 42 29.144 23.792 4.253 321 H LEU 43 H LEU 43 25.339 19.278 2.038 322 HA LEU 43 HA LEU 43 23.398 19.825 4.001 323 HB2 LEU 43 HB2 LEU 43 23.217 20.458 1.595 324 HB3 LEU 43 HB3 LEU 43 22.924 18.763 1.205 325 HG LEU 43 HG LEU 43 20.985 18.828 2.840 326 HD11 LEU 43 HD11 LEU 43 20.125 21.268 3.122 327 HD12 LEU 43 HD12 LEU 43 21.798 21.731 2.815 328 HD13 LEU 43 HD13 LEU 43 21.405 20.706 4.196 329 HD21 LEU 43 HD21 LEU 43 20.823 20.779 0.521 330 HD22 LEU 43 HD22 LEU 43 19.479 19.893 1.243 331 HD23 LEU 43 HD23 LEU 43 20.732 19.025 0.355 332 H ASP 44 H ASP 44 24.203 16.828 2.273 333 HA ASP 44 HA ASP 44 22.172 15.222 3.422 334 HB2 ASP 44 HB2 ASP 44 24.897 14.468 2.343 335 HB3 ASP 44 HB3 ASP 44 23.625 13.319 2.747 336 H VAL 45 H VAL 45 25.504 15.945 4.409 337 HA VAL 45 HA VAL 45 25.603 14.188 6.619 338 HB VAL 45 HB VAL 45 27.034 16.833 6.242 339 HG11 VAL 45 HG11 VAL 45 28.739 15.693 7.739 340 HG12 VAL 45 HG12 VAL 45 27.518 14.465 8.070 341 HG13 VAL 45 HG13 VAL 45 27.232 16.141 8.538 342 HG21 VAL 45 HG21 VAL 45 28.898 15.075 5.602 343 HG22 VAL 45 HG22 VAL 45 27.711 15.578 4.400 344 HG23 VAL 45 HG23 VAL 45 27.515 14.042 5.242 345 H ALA 46 H ALA 46 24.490 17.546 6.295 346 HA ALA 46 HA ALA 46 24.139 18.122 9.013 347 HB1 ALA 46 HB1 ALA 46 22.766 19.115 6.523 348 HB2 ALA 46 HB2 ALA 46 23.950 19.945 7.533 349 HB3 ALA 46 HB3 ALA 46 22.307 19.697 8.123 350 H ASP 47 H ASP 47 21.888 16.655 6.675 351 HA ASP 47 HA ASP 47 19.774 16.219 8.512 352 HB2 ASP 47 HB2 ASP 47 19.600 16.064 6.006 353 HB3 ASP 47 HB3 ASP 47 20.457 14.526 6.100 354 H PHE 48 H PHE 48 22.564 14.260 7.544 355 HA PHE 48 HA PHE 48 21.930 11.904 8.918 356 HB2 PHE 48 HB2 PHE 48 23.747 12.119 7.267 357 HB3 PHE 48 HB3 PHE 48 24.649 13.108 8.393 358 HD1 PHE 48 HD1 PHE 48 26.583 11.799 8.703 359 HD2 PHE 48 HD2 PHE 48 22.707 10.016 9.190 360 HE1 PHE 48 HE1 PHE 48 27.639 9.756 9.627 361 HE2 PHE 48 HE2 PHE 48 23.764 7.978 10.121 362 HZ PHE 48 HZ PHE 48 26.230 7.847 10.340 363 H VAL 49 H VAL 49 23.760 14.763 10.011 364 HA VAL 49 HA VAL 49 24.202 13.814 12.650 365 HB VAL 49 HB VAL 49 24.018 16.669 11.648 366 HG11 VAL 49 HG11 VAL 49 23.853 16.472 14.111 367 HG12 VAL 49 HG12 VAL 49 25.381 17.202 13.624 368 HG13 VAL 49 HG13 VAL 49 25.333 15.513 14.127 369 HG21 VAL 49 HG21 VAL 49 26.469 14.948 12.095 370 HG22 VAL 49 HG22 VAL 49 26.404 16.543 11.348 371 HG23 VAL 49 HG23 VAL 49 25.707 15.153 10.520 372 H THR 50 H THR 50 21.651 15.823 11.196 373 HA THR 50 HA THR 50 20.265 16.475 13.537 374 HB THR 50 HB THR 50 19.061 15.957 10.808 375 HG1 THR 50 HG1 THR 50 19.962 17.749 10.285 376 HG21 THR 50 HG21 THR 50 17.472 16.212 12.731 377 HG22 THR 50 HG22 THR 50 17.333 17.499 11.532 378 HG23 THR 50 HG23 THR 50 18.181 17.796 13.050 379 H THR 51 H THR 51 19.950 13.647 11.406 380 HA THR 51 HA THR 51 17.756 12.463 12.724 381 HB THR 51 HB THR 51 20.007 11.048 11.277 382 HG1 THR 51 HG1 THR 51 19.041 11.673 9.524 383 HG21 THR 51 HG21 THR 51 17.105 10.289 11.707 384 HG22 THR 51 HG22 THR 51 18.464 9.613 12.605 385 HG23 THR 51 HG23 THR 51 18.324 9.328 10.870 386 H VAL 52 H VAL 52 21.257 12.144 13.212 387 HA VAL 52 HA VAL 52 21.063 10.147 15.232 388 HB VAL 52 HB VAL 52 23.293 12.116 14.652 389 HG11 VAL 52 HG11 VAL 52 23.198 9.576 16.301 390 HG12 VAL 52 HG12 VAL 52 23.607 11.196 16.864 391 HG13 VAL 52 HG13 VAL 52 24.698 10.339 15.774 392 HG21 VAL 52 HG21 VAL 52 24.215 10.466 13.229 393 HG22 VAL 52 HG22 VAL 52 22.501 10.459 12.821 394 HG23 VAL 52 HG23 VAL 52 23.161 9.205 13.867 395 H VAL 53 H VAL 53 21.419 13.691 15.327 396 HA VAL 53 HA VAL 53 21.559 13.914 18.145 397 HB VAL 53 HB VAL 53 20.573 15.920 16.095 398 HG11 VAL 53 HG11 VAL 53 21.507 16.303 18.956 399 HG12 VAL 53 HG12 VAL 53 19.860 16.531 18.366 400 HG13 VAL 53 HG13 VAL 53 21.150 17.604 17.821 401 HG21 VAL 53 HG21 VAL 53 23.270 15.918 17.428 402 HG22 VAL 53 HG22 VAL 53 22.786 16.665 15.907 403 HG23 VAL 53 HG23 VAL 53 22.996 14.918 16.003 404 H GLN 54 H GLN 54 18.820 14.146 15.875 405 HA GLN 54 HA GLN 54 16.795 14.593 17.769 406 HB2 GLN 54 HB2 GLN 54 16.530 14.743 15.281 407 HB3 GLN 54 HB3 GLN 54 16.547 12.981 15.220 408 HG2 GLN 54 HG2 GLN 54 14.246 13.573 15.290 409 HG3 GLN 54 HG3 GLN 54 14.639 13.055 16.928 410 HE21 GLN 54 HE21 GLN 54 13.919 14.472 18.516 411 HE22 GLN 54 HE22 GLN 54 13.671 16.137 18.295 412 H LEU 55 H LEU 55 18.232 11.589 16.564 413 HA LEU 55 HA LEU 55 16.578 9.752 17.887 414 HB2 LEU 55 HB2 LEU 55 18.261 9.209 16.123 415 HB3 LEU 55 HB3 LEU 55 19.535 9.469 17.314 416 HG LEU 55 HG LEU 55 18.324 7.742 18.767 417 HD11 LEU 55 HD11 LEU 55 16.178 7.685 17.673 418 HD12 LEU 55 HD12 LEU 55 16.945 6.122 17.389 419 HD13 LEU 55 HD13 LEU 55 16.921 7.338 16.112 420 HD21 LEU 55 HD21 LEU 55 19.237 5.826 17.348 421 HD22 LEU 55 HD22 LEU 55 20.380 7.122 17.698 422 HD23 LEU 55 HD23 LEU 55 19.607 7.032 16.117 423 H ALA 56 H ALA 56 19.402 11.556 19.009 424 HA ALA 56 HA ALA 56 19.912 10.188 21.404 425 HB1 ALA 56 HB1 ALA 56 21.164 12.154 20.158 426 HB2 ALA 56 HB2 ALA 56 21.341 11.907 21.894 427 HB3 ALA 56 HB3 ALA 56 20.244 13.147 21.289 428 H GLU 57 H GLU 57 17.707 12.880 20.710 429 HA GLU 57 HA GLU 57 17.064 13.330 23.465 430 HB2 GLU 57 HB2 GLU 57 15.748 14.284 20.917 431 HB3 GLU 57 HB3 GLU 57 15.320 14.844 22.529 432 HG2 GLU 57 HG2 GLU 57 18.026 15.128 21.191 433 HG3 GLU 57 HG3 GLU 57 16.869 16.421 21.483 434 H GLU 58 H GLU 58 15.512 11.503 20.843 435 HA GLU 58 HA GLU 58 13.068 11.317 22.419 436 HB2 GLU 58 HB2 GLU 58 13.676 10.431 19.597 437 HB3 GLU 58 HB3 GLU 58 12.097 10.309 20.375 438 HG2 GLU 58 HG2 GLU 58 12.139 12.770 20.765 439 HG3 GLU 58 HG3 GLU 58 13.659 12.859 19.887 440 H LEU 59 H LEU 59 14.340 8.664 20.391 441 HA LEU 59 HA LEU 59 13.071 6.787 22.090 442 HB2 LEU 59 HB2 LEU 59 15.150 6.320 19.941 443 HB3 LEU 59 HB3 LEU 59 14.089 5.096 20.637 444 HG LEU 59 HG LEU 59 13.121 7.576 19.186 445 HD11 LEU 59 HD11 LEU 59 14.338 5.875 17.754 446 HD12 LEU 59 HD12 LEU 59 12.653 6.141 17.309 447 HD13 LEU 59 HD13 LEU 59 13.107 4.704 18.223 448 HD21 LEU 59 HD21 LEU 59 11.377 6.914 20.613 449 HD22 LEU 59 HD22 LEU 59 11.794 5.206 20.484 450 HD23 LEU 59 HD23 LEU 59 11.010 6.027 19.134 451 H GLU 60 H GLU 60 16.481 7.712 21.729 452 HA GLU 60 HA GLU 60 17.514 5.541 23.224 453 HB2 GLU 60 HB2 GLU 60 18.696 8.263 22.646 454 HB3 GLU 60 HB3 GLU 60 19.586 6.898 23.325 455 HG2 GLU 60 HG2 GLU 60 18.137 6.879 20.668 456 HG3 GLU 60 HG3 GLU 60 19.875 7.062 20.863 457 H HIS 61 H HIS 61 16.399 8.752 24.172 458 HA HIS 61 HA HIS 61 17.594 8.844 26.717 459 HB2 HIS 61 HB2 HIS 61 16.572 10.776 25.561 460 HB3 HIS 61 HB3 HIS 61 14.987 10.080 25.838 461 HD1 HIS 61 HD1 HIS 61 13.847 10.845 27.916 462 HD2 HIS 61 HD2 HIS 61 17.980 11.324 28.169 463 HE1 HIS 61 HE1 HIS 61 14.297 12.018 30.113 464 H ARG 62 H ARG 62 14.315 7.774 25.772 465 HA ARG 62 HA ARG 62 13.480 7.097 28.385 466 HB2 ARG 62 HB2 ARG 62 12.565 6.030 25.705 467 HB3 ARG 62 HB3 ARG 62 11.736 5.743 27.237 468 HG2 ARG 62 HG2 ARG 62 11.528 8.211 27.543 469 HG3 ARG 62 HG3 ARG 62 12.245 8.439 25.947 470 HD2 ARG 62 HD2 ARG 62 10.402 7.013 24.996 471 HD3 ARG 62 HD3 ARG 62 9.649 7.019 26.588 472 HE ARG 62 HE ARG 62 8.875 9.133 26.121 473 HH11 ARG 62 HH11 ARG 62 11.677 8.571 24.084 474 HH12 ARG 62 HH12 ARG 62 11.508 10.084 23.259 475 HH21 ARG 62 HH21 ARG 62 8.703 11.066 25.027 476 HH22 ARG 62 HH22 ARG 62 9.841 11.481 23.788 477 H PHE 63 H PHE 63 15.023 5.179 25.830 478 HA PHE 63 HA PHE 63 14.974 2.693 27.145 479 HB2 PHE 63 HB2 PHE 63 16.960 3.816 25.173 480 HB3 PHE 63 HB3 PHE 63 16.925 2.142 25.692 481 HD1 PHE 63 HD1 PHE 63 13.967 1.656 25.749 482 HD2 PHE 63 HD2 PHE 63 16.432 3.712 22.893 483 HE1 PHE 63 HE1 PHE 63 12.316 1.162 23.966 484 HE2 PHE 63 HE2 PHE 63 14.780 3.218 21.112 485 HZ PHE 63 HZ PHE 63 12.721 1.944 21.648 486 H GLY 64 H GLY 64 17.119 5.457 27.520 487 HA2 GLY 64 HA2 GLY 64 18.373 5.838 29.507 488 HA3 GLY 64 HA3 GLY 64 18.382 4.107 29.804 489 H ARG 65 H ARG 65 19.141 4.070 26.680 490 HA ARG 65 HA ARG 65 21.867 3.514 27.027 491 HB2 ARG 65 HB2 ARG 65 20.364 4.320 24.527 492 HB3 ARG 65 HB3 ARG 65 21.990 3.634 24.550 493 HG2 ARG 65 HG2 ARG 65 21.090 1.630 25.729 494 HG3 ARG 65 HG3 ARG 65 19.466 2.303 25.576 495 HD2 ARG 65 HD2 ARG 65 19.825 2.389 23.083 496 HD3 ARG 65 HD3 ARG 65 21.329 1.508 23.326 497 HE ARG 65 HE ARG 65 19.609 -0.109 24.566 498 HH11 ARG 65 HH11 ARG 65 19.302 1.467 21.444 499 HH12 ARG 65 HH12 ARG 65 18.265 0.233 20.813 500 HH21 ARG 65 HH21 ARG 65 18.274 -1.666 23.699 501 HH22 ARG 65 HH22 ARG 65 17.691 -1.520 22.074 502 H ASN 66 H ASN 66 20.217 6.518 26.159 503 HA ASN 66 HA ASN 66 22.808 7.866 25.815 504 HB2 ASN 66 HB2 ASN 66 21.059 8.184 24.083 505 HB3 ASN 66 HB3 ASN 66 20.015 8.911 25.303 506 HD21 ASN 66 HD21 ASN 66 20.135 11.151 25.343 507 HD22 ASN 66 HD22 ASN 66 21.490 12.065 24.888 508 H ARG 67 H ARG 67 23.638 8.456 27.725 509 HA ARG 67 HA ARG 67 21.899 9.873 29.650 510 HB2 ARG 67 HB2 ARG 67 24.672 8.739 30.060 511 HB3 ARG 67 HB3 ARG 67 23.649 9.467 31.297 512 HG2 ARG 67 HG2 ARG 67 22.876 7.022 29.681 513 HG3 ARG 67 HG3 ARG 67 23.592 6.955 31.290 514 HD2 ARG 67 HD2 ARG 67 21.687 8.352 32.134 515 HD3 ARG 67 HD3 ARG 67 20.950 8.239 30.538 516 HE ARG 67 HE ARG 67 21.582 5.650 31.549 517 HH11 ARG 67 HH11 ARG 67 19.228 8.232 31.910 518 HH12 ARG 67 HH12 ARG 67 17.981 7.154 32.439 519 HH21 ARG 67 HH21 ARG 67 19.930 4.313 32.231 520 HH22 ARG 67 HH22 ARG 67 18.372 4.967 32.616 521 H ARG 68 H ARG 68 24.031 10.626 27.168 522 HA ARG 68 HA ARG 68 25.538 12.735 28.351 523 HB2 ARG 68 HB2 ARG 68 24.704 12.388 25.459 524 HB3 ARG 68 HB3 ARG 68 26.007 13.415 26.054 525 HG2 ARG 68 HG2 ARG 68 25.908 10.411 26.437 526 HG3 ARG 68 HG3 ARG 68 26.801 11.213 25.146 527 HD2 ARG 68 HD2 ARG 68 28.065 12.493 26.887 528 HD3 ARG 68 HD3 ARG 68 27.245 11.546 28.125 529 HE ARG 68 HE ARG 68 28.302 9.616 26.591 530 HH11 ARG 68 HH11 ARG 68 29.773 12.526 27.897 531 HH12 ARG 68 HH12 ARG 68 31.349 11.813 27.974 532 HH21 ARG 68 HH21 ARG 68 30.355 8.755 26.715 533 HH22 ARG 68 HH22 ARG 68 31.673 9.706 27.314 534 H GLY 69 H GLY 69 25.165 14.951 28.369 535 HA2 GLY 69 HA2 GLY 69 22.375 15.760 28.336 536 HA3 GLY 69 HA3 GLY 69 23.751 16.758 28.803 537 H ARG 70 H ARG 70 21.837 17.905 27.251 538 HA ARG 70 HA ARG 70 22.101 17.646 24.471 539 HB2 ARG 70 HB2 ARG 70 21.392 20.084 26.120 540 HB3 ARG 70 HB3 ARG 70 21.174 19.952 24.375 541 HG2 ARG 70 HG2 ARG 70 19.712 17.966 24.742 542 HG3 ARG 70 HG3 ARG 70 19.867 18.208 26.482 543 HD2 ARG 70 HD2 ARG 70 18.968 20.536 26.167 544 HD3 ARG 70 HD3 ARG 70 18.653 20.130 24.482 545 HE ARG 70 HE ARG 70 17.495 18.299 26.414 546 HH11 ARG 70 HH11 ARG 70 16.955 21.194 24.501 547 HH12 ARG 70 HH12 ARG 70 15.231 21.046 24.581 548 HH21 ARG 70 HH21 ARG 70 15.269 18.161 26.481 549 HH22 ARG 70 HH22 ARG 70 14.290 19.350 25.687 550 H THR 71 H THR 71 23.909 19.618 26.793 551 HA THR 71 HA THR 71 25.327 21.172 24.918 552 HB THR 71 HB THR 71 25.233 21.781 27.277 553 HG1 THR 71 HG1 THR 71 27.027 22.646 26.691 554 HG21 THR 71 HG21 THR 71 27.096 19.466 27.829 555 HG22 THR 71 HG22 THR 71 25.354 19.353 28.067 556 HG23 THR 71 HG23 THR 71 26.296 20.516 28.998 557 H GLU 72 H GLU 72 26.077 18.040 26.408 558 HA GLU 72 HA GLU 72 28.705 17.823 25.375 559 HB2 GLU 72 HB2 GLU 72 26.736 15.685 26.221 560 HB3 GLU 72 HB3 GLU 72 28.447 15.402 25.889 561 HG2 GLU 72 HG2 GLU 72 29.038 17.071 27.633 562 HG3 GLU 72 HG3 GLU 72 27.330 17.274 27.996 563 H ILE 73 H ILE 73 25.550 16.790 24.124 564 HA ILE 73 HA ILE 73 26.553 15.409 21.861 565 HB ILE 73 HB ILE 73 23.864 16.759 22.239 566 HG12 ILE 73 HG12 ILE 73 24.743 13.889 22.702 567 HG13 ILE 73 HG13 ILE 73 24.457 15.069 23.977 568 HG21 ILE 73 HG21 ILE 73 24.556 16.115 19.849 569 HG22 ILE 73 HG22 ILE 73 23.072 15.385 20.452 570 HG23 ILE 73 HG23 ILE 73 24.562 14.446 20.416 571 HD11 ILE 73 HD11 ILE 73 22.498 13.616 22.259 572 HD12 ILE 73 HD12 ILE 73 22.102 15.281 22.689 573 HD13 ILE 73 HD13 ILE 73 22.376 14.084 23.954 574 H TYR 74 H TYR 74 25.770 18.814 22.432 575 HA TYR 74 HA TYR 74 25.787 19.608 19.707 576 HB2 TYR 74 HB2 TYR 74 26.314 21.212 22.205 577 HB3 TYR 74 HB3 TYR 74 26.086 21.896 20.609 578 HD1 TYR 74 HD1 TYR 74 23.832 20.136 19.635 579 HD2 TYR 74 HD2 TYR 74 24.497 22.078 23.408 580 HE1 TYR 74 HE1 TYR 74 21.385 20.206 20.030 581 HE2 TYR 74 HE2 TYR 74 22.050 22.144 23.805 582 HH TYR 74 HH TYR 74 19.791 21.313 21.366 583 H LYS 75 H LYS 75 28.342 19.569 22.190 584 HA LYS 75 HA LYS 75 30.203 21.122 20.772 585 HB2 LYS 75 HB2 LYS 75 30.370 20.545 23.195 586 HB3 LYS 75 HB3 LYS 75 30.837 18.907 22.731 587 HG2 LYS 75 HG2 LYS 75 32.748 19.844 21.441 588 HG3 LYS 75 HG3 LYS 75 32.310 21.456 22.005 589 HD2 LYS 75 HD2 LYS 75 32.570 20.643 24.362 590 HD3 LYS 75 HD3 LYS 75 33.165 19.111 23.722 591 HE2 LYS 75 HE2 LYS 75 34.831 20.634 22.380 592 HE3 LYS 75 HE3 LYS 75 34.451 21.823 23.625 593 HZ1 LYS 75 HZ1 LYS 75 35.581 19.108 24.006 594 HZ2 LYS 75 HZ2 LYS 75 34.992 20.061 25.284 595 HZ3 LYS 75 HZ3 LYS 75 36.318 20.594 24.364 596 H ILE 76 H ILE 76 29.778 17.588 20.884 597 HA ILE 76 HA ILE 76 31.989 16.937 19.267 598 HB ILE 76 HB ILE 76 29.374 15.439 19.503 599 HG12 ILE 76 HG12 ILE 76 30.309 15.867 21.724 600 HG13 ILE 76 HG13 ILE 76 30.501 14.170 21.303 601 HG21 ILE 76 HG21 ILE 76 30.986 13.475 19.115 602 HG22 ILE 76 HG22 ILE 76 32.142 14.690 18.569 603 HG23 ILE 76 HG23 ILE 76 30.608 14.488 17.721 604 HD11 ILE 76 HD11 ILE 76 32.642 16.315 21.159 605 HD12 ILE 76 HD12 ILE 76 32.858 14.655 20.605 606 HD13 ILE 76 HD13 ILE 76 32.563 14.983 22.309 607 H VAL 77 H VAL 77 28.649 17.777 18.429 608 HA VAL 77 HA VAL 77 28.746 17.173 15.689 609 HB VAL 77 HB VAL 77 27.213 19.364 17.120 610 HG11 VAL 77 HG11 VAL 77 25.624 18.893 15.101 611 HG12 VAL 77 HG12 VAL 77 27.074 18.258 14.323 612 HG13 VAL 77 HG13 VAL 77 27.022 19.941 14.853 613 HG21 VAL 77 HG21 VAL 77 26.954 16.820 17.736 614 HG22 VAL 77 HG22 VAL 77 26.096 16.727 16.201 615 HG23 VAL 77 HG23 VAL 77 25.512 17.799 17.473 616 H LYS 78 H LYS 78 29.655 20.117 17.459 617 HA LYS 78 HA LYS 78 30.338 21.723 15.265 618 HB2 LYS 78 HB2 LYS 78 30.178 22.507 17.627 619 HB3 LYS 78 HB3 LYS 78 31.685 21.663 17.977 620 HG2 LYS 78 HG2 LYS 78 32.328 23.907 17.539 621 HG3 LYS 78 HG3 LYS 78 32.709 23.032 16.057 622 HD2 LYS 78 HD2 LYS 78 30.616 23.789 15.035 623 HD3 LYS 78 HD3 LYS 78 30.159 24.603 16.532 624 HE2 LYS 78 HE2 LYS 78 32.463 25.824 16.254 625 HE3 LYS 78 HE3 LYS 78 32.311 25.334 14.567 626 HZ1 LYS 78 HZ1 LYS 78 31.337 27.571 15.249 627 HZ2 LYS 78 HZ2 LYS 78 30.093 26.675 15.982 628 HZ3 LYS 78 HZ3 LYS 78 30.364 26.548 14.309 629 H GLU 79 H GLU 79 32.242 19.326 17.065 630 HA GLU 79 HA GLU 79 34.687 19.745 15.703 631 HB2 GLU 79 HB2 GLU 79 33.604 17.266 17.057 632 HB3 GLU 79 HB3 GLU 79 35.278 17.486 16.544 633 HG2 GLU 79 HG2 GLU 79 33.801 19.254 18.514 634 HG3 GLU 79 HG3 GLU 79 34.982 18.022 18.943 635 H VAL 80 H VAL 80 31.917 17.631 15.046 636 HA VAL 80 HA VAL 80 33.070 16.202 12.897 637 HB VAL 80 HB VAL 80 30.161 16.880 13.421 638 HG11 VAL 80 HG11 VAL 80 29.659 14.951 11.995 639 HG12 VAL 80 HG12 VAL 80 31.380 14.682 11.721 640 HG13 VAL 80 HG13 VAL 80 30.602 16.132 11.087 641 HG21 VAL 80 HG21 VAL 80 30.040 14.914 14.692 642 HG22 VAL 80 HG22 VAL 80 31.611 15.558 15.162 643 HG23 VAL 80 HG23 VAL 80 31.511 14.251 13.985 644 H ASP 81 H ASP 81 31.246 19.249 13.033 645 HA ASP 81 HA ASP 81 30.958 19.702 10.289 646 HB2 ASP 81 HB2 ASP 81 29.917 21.054 12.134 647 HB3 ASP 81 HB3 ASP 81 31.486 21.820 12.382 648 H ARG 82 H ARG 82 33.654 20.469 12.465 649 HA ARG 82 HA ARG 82 35.251 21.871 10.625 650 HB2 ARG 82 HB2 ARG 82 35.671 21.749 13.078 651 HB3 ARG 82 HB3 ARG 82 36.197 20.078 12.873 652 HG2 ARG 82 HG2 ARG 82 37.947 20.838 11.289 653 HG3 ARG 82 HG3 ARG 82 37.447 22.508 11.560 654 HD2 ARG 82 HD2 ARG 82 37.929 22.213 13.992 655 HD3 ARG 82 HD3 ARG 82 38.535 20.597 13.644 656 HE ARG 82 HE ARG 82 40.485 21.561 12.881 657 HH11 ARG 82 HH11 ARG 82 37.995 24.035 12.865 658 HH12 ARG 82 HH12 ARG 82 39.103 25.288 12.416 659 HH21 ARG 82 HH21 ARG 82 41.864 23.216 12.302 660 HH22 ARG 82 HH22 ARG 82 41.266 24.829 12.101 661 H LYS 83 H LYS 83 34.988 18.402 11.326 662 HA LYS 83 HA LYS 83 37.098 17.522 9.688 663 HB2 LYS 83 HB2 LYS 83 34.500 16.105 10.342 664 HB3 LYS 83 HB3 LYS 83 35.953 15.341 9.700 665 HG2 LYS 83 HG2 LYS 83 36.032 16.938 12.258 666 HG3 LYS 83 HG3 LYS 83 35.577 15.235 12.256 667 HD2 LYS 83 HD2 LYS 83 38.087 16.081 10.838 668 HD3 LYS 83 HD3 LYS 83 38.099 15.914 12.593 669 HE2 LYS 83 HE2 LYS 83 37.097 13.601 12.266 670 HE3 LYS 83 HE3 LYS 83 37.437 13.789 10.546 671 HZ1 LYS 83 HZ1 LYS 83 39.576 14.299 12.491 672 HZ2 LYS 83 HZ2 LYS 83 39.684 13.753 10.886 673 HZ3 LYS 83 HZ3 LYS 83 39.176 12.694 12.113 674 H LEU 84 H LEU 84 33.668 18.109 8.962 675 HA LEU 84 HA LEU 84 33.728 17.317 6.255 676 HB2 LEU 84 HB2 LEU 84 32.062 19.495 7.543 677 HB3 LEU 84 HB3 LEU 84 31.731 18.720 5.995 678 HG LEU 84 HG LEU 84 31.969 17.131 8.556 679 HD11 LEU 84 HD11 LEU 84 30.144 19.018 8.478 680 HD12 LEU 84 HD12 LEU 84 29.688 17.395 8.996 681 HD13 LEU 84 HD13 LEU 84 29.330 17.931 7.355 682 HD21 LEU 84 HD21 LEU 84 32.104 15.991 6.286 683 HD22 LEU 84 HD22 LEU 84 30.468 16.562 5.980 684 HD23 LEU 84 HD23 LEU 84 30.775 15.439 7.301 685 H LEU 85 H LEU 85 34.454 20.420 7.826 686 HA LEU 85 HA LEU 85 35.019 21.874 5.460 687 HB2 LEU 85 HB2 LEU 85 36.067 22.238 8.276 688 HB3 LEU 85 HB3 LEU 85 36.244 23.412 6.972 689 HG LEU 85 HG LEU 85 33.572 22.372 7.953 690 HD11 LEU 85 HD11 LEU 85 34.839 23.705 9.670 691 HD12 LEU 85 HD12 LEU 85 33.343 24.476 9.140 692 HD13 LEU 85 HD13 LEU 85 34.894 25.041 8.519 693 HD21 LEU 85 HD21 LEU 85 34.485 24.408 5.937 694 HD22 LEU 85 HD22 LEU 85 32.935 24.616 6.751 695 HD23 LEU 85 HD23 LEU 85 33.234 23.175 5.778 696 H ASP 86 H ASP 86 37.023 19.812 7.543 697 HA ASP 86 HA ASP 86 39.529 20.394 6.435 698 HB2 ASP 86 HB2 ASP 86 38.471 17.784 7.540 699 HB3 ASP 86 HB3 ASP 86 40.164 18.095 7.174 700 H LEU 87 H LEU 87 37.036 18.093 5.383 701 HA LEU 87 HA LEU 87 38.411 17.036 3.161 702 HB2 LEU 87 HB2 LEU 87 36.287 16.122 4.087 703 HB3 LEU 87 HB3 LEU 87 35.434 17.522 3.434 704 HG LEU 87 HG LEU 87 36.386 16.884 1.156 705 HD11 LEU 87 HD11 LEU 87 36.885 14.322 1.116 706 HD12 LEU 87 HD12 LEU 87 37.241 14.531 2.830 707 HD13 LEU 87 HD13 LEU 87 38.165 15.425 1.623 708 HD21 LEU 87 HD21 LEU 87 34.680 14.679 2.306 709 HD22 LEU 87 HD22 LEU 87 34.581 15.432 0.715 710 HD23 LEU 87 HD23 LEU 87 34.046 16.317 2.144 711 H THR 88 H THR 88 36.386 19.931 3.532 712 HA THR 88 HA THR 88 36.287 20.711 0.839 713 HB THR 88 HB THR 88 36.440 22.582 3.211 714 HG1 THR 88 HG1 THR 88 34.834 21.177 3.622 715 HG21 THR 88 HG21 THR 88 34.758 23.791 1.628 716 HG22 THR 88 HG22 THR 88 35.450 22.758 0.376 717 HG23 THR 88 HG23 THR 88 36.481 23.881 1.263 718 H ASP 89 H ASP 89 38.708 21.355 3.354 719 HA ASP 89 HA ASP 89 40.364 23.087 1.895 720 HB2 ASP 89 HB2 ASP 89 41.084 21.041 4.006 721 HB3 ASP 89 HB3 ASP 89 42.166 22.304 3.424 722 H ALA 90 H ALA 90 40.256 19.544 2.037 723 HA ALA 90 HA ALA 90 42.525 19.104 0.378 724 HB1 ALA 90 HB1 ALA 90 41.628 16.810 0.155 725 HB2 ALA 90 HB2 ALA 90 40.129 17.334 0.924 726 HB3 ALA 90 HB3 ALA 90 41.640 17.349 1.835 727 H VAL 91 H VAL 91 39.030 19.241 -0.277 728 HA VAL 91 HA VAL 91 39.203 18.722 -3.052 729 HB VAL 91 HB VAL 91 37.126 20.321 -1.528 730 HG11 VAL 91 HG11 VAL 91 37.088 19.044 -4.279 731 HG12 VAL 91 HG12 VAL 91 36.936 20.761 -3.909 732 HG13 VAL 91 HG13 VAL 91 35.652 19.644 -3.448 733 HG21 VAL 91 HG21 VAL 91 36.972 17.439 -2.425 734 HG22 VAL 91 HG22 VAL 91 35.933 18.279 -1.274 735 HG23 VAL 91 HG23 VAL 91 37.596 17.888 -0.838 736 H LEU 92 H LEU 92 39.215 21.749 -1.188 737 HA LEU 92 HA LEU 92 39.368 23.550 -3.337 738 HB2 LEU 92 HB2 LEU 92 38.978 24.183 -0.959 739 HB3 LEU 92 HB3 LEU 92 40.672 23.829 -0.620 740 HG LEU 92 HG LEU 92 41.269 25.489 -2.450 741 HD11 LEU 92 HD11 LEU 92 39.349 27.203 -2.782 742 HD12 LEU 92 HD12 LEU 92 38.286 25.893 -2.266 743 HD13 LEU 92 HD13 LEU 92 39.282 25.703 -3.708 744 HD21 LEU 92 HD21 LEU 92 39.728 26.449 -0.020 745 HD22 LEU 92 HD22 LEU 92 40.793 27.465 -0.990 746 HD23 LEU 92 HD23 LEU 92 41.454 26.098 -0.093 747 H ALA 93 H ALA 93 41.901 21.760 -1.621 748 HA ALA 93 HA ALA 93 44.116 22.889 -2.963 749 HB1 ALA 93 HB1 ALA 93 44.665 21.705 -1.037 750 HB2 ALA 93 HB2 ALA 93 45.172 20.605 -2.319 751 HB3 ALA 93 HB3 ALA 93 43.650 20.330 -1.473 752 H LYS 94 H LYS 94 41.734 20.646 -4.080 753 HA LYS 94 HA LYS 94 41.439 19.583 -6.076 754 HB2 LYS 94 HB2 LYS 94 43.833 21.172 -7.038 755 HB3 LYS 94 HB3 LYS 94 42.628 20.366 -8.036 756 HG2 LYS 94 HG2 LYS 94 42.019 22.604 -6.087 757 HG3 LYS 94 HG3 LYS 94 42.210 22.813 -7.827 758 HD2 LYS 94 HD2 LYS 94 40.358 21.142 -8.162 759 HD3 LYS 94 HD3 LYS 94 40.100 21.158 -6.417 760 HE2 LYS 94 HE2 LYS 94 38.570 22.770 -7.126 761 HE3 LYS 94 HE3 LYS 94 39.976 23.760 -6.733 762 HZ1 LYS 94 HZ1 LYS 94 39.845 24.504 -8.806 763 HZ2 LYS 94 HZ2 LYS 94 38.722 23.312 -9.257 764 HZ3 LYS 94 HZ3 LYS 94 40.387 22.979 -9.317 765 H GLU 95 H GLU 95 42.669 18.146 -4.160 766 HA GLU 95 HA GLU 95 45.121 16.946 -4.846 767 HB2 GLU 95 HB2 GLU 95 43.884 16.673 -2.664 768 HB3 GLU 95 HB3 GLU 95 42.780 15.580 -3.500 769 HG2 GLU 95 HG2 GLU 95 44.458 14.209 -2.467 770 HG3 GLU 95 HG3 GLU 95 44.795 14.222 -4.193 771 H LYS 96 H LYS 96 45.632 15.177 -6.125 772 HA LYS 96 HA LYS 96 43.609 14.542 -8.171 773 HB2 LYS 96 HB2 LYS 96 46.622 14.321 -8.220 774 HB3 LYS 96 HB3 LYS 96 45.555 13.865 -9.550 775 HG2 LYS 96 HG2 LYS 96 44.693 16.140 -9.699 776 HG3 LYS 96 HG3 LYS 96 45.642 16.624 -8.294 777 HD2 LYS 96 HD2 LYS 96 46.859 17.351 -10.229 778 HD3 LYS 96 HD3 LYS 96 47.713 15.946 -9.593 779 HE2 LYS 96 HE2 LYS 96 47.080 14.588 -11.354 780 HE3 LYS 96 HE3 LYS 96 45.588 15.480 -11.651 781 HZ1 LYS 96 HZ1 LYS 96 48.317 16.504 -12.214 782 HZ2 LYS 96 HZ2 LYS 96 46.852 17.286 -12.571 783 HZ3 LYS 96 HZ3 LYS 96 47.269 15.849 -13.377 784 H LYS 97 H LYS 97 43.815 13.169 -5.500 785 HA LYS 97 HA LYS 97 43.997 10.419 -6.578 786 HB2 LYS 97 HB2 LYS 97 44.851 11.370 -3.837 787 HB3 LYS 97 HB3 LYS 97 44.784 9.681 -4.344 788 HG2 LYS 97 HG2 LYS 97 46.313 10.329 -6.278 789 HG3 LYS 97 HG3 LYS 97 46.555 11.868 -5.457 790 HD2 LYS 97 HD2 LYS 97 47.087 9.182 -4.165 791 HD3 LYS 97 HD3 LYS 97 48.325 10.132 -4.980 792 HE2 LYS 97 HE2 LYS 97 48.361 11.755 -3.337 793 HE3 LYS 97 HE3 LYS 97 46.689 11.477 -2.864 794 HZ1 LYS 97 HZ1 LYS 97 47.654 10.403 -1.160 795 HZ2 LYS 97 HZ2 LYS 97 49.112 10.143 -1.993 796 HZ3 LYS 97 HZ3 LYS 97 47.780 9.124 -2.266 797 H GLY 98 H GLY 98 42.369 9.026 -5.981 798 HA2 GLY 98 HA2 GLY 98 39.963 10.396 -5.024 799 HA3 GLY 98 HA3 GLY 98 40.013 8.871 -5.897 800 H GLU 99 H GLU 99 41.861 7.462 -4.306 801 HA GLU 99 HA GLU 99 40.126 6.365 -2.405 802 HB2 GLU 99 HB2 GLU 99 43.142 6.184 -2.572 803 HB3 GLU 99 HB3 GLU 99 42.131 5.170 -1.542 804 HG2 GLU 99 HG2 GLU 99 40.894 4.406 -3.565 805 HG3 GLU 99 HG3 GLU 99 41.991 5.348 -4.564 806 H ASP 100 H ASP 100 42.662 8.814 -2.034 807 HA ASP 100 HA ASP 100 42.657 8.964 0.772 808 HB2 ASP 100 HB2 ASP 100 43.205 11.065 -1.325 809 HB3 ASP 100 HB3 ASP 100 43.444 11.333 0.396 810 H ILE 101 H ILE 101 40.553 10.476 -1.639 811 HA ILE 101 HA ILE 101 39.208 12.293 0.014 812 HB ILE 101 HB ILE 101 38.032 10.695 -2.275 813 HG12 ILE 101 HG12 ILE 101 40.090 11.797 -2.996 814 HG13 ILE 101 HG13 ILE 101 38.698 12.620 -3.684 815 HG21 ILE 101 HG21 ILE 101 36.277 11.826 -1.127 816 HG22 ILE 101 HG22 ILE 101 36.665 12.841 -2.516 817 HG23 ILE 101 HG23 ILE 101 37.253 13.279 -0.912 818 HD11 ILE 101 HD11 ILE 101 40.756 13.648 -1.894 819 HD12 ILE 101 HD12 ILE 101 39.142 13.967 -1.263 820 HD13 ILE 101 HD13 ILE 101 39.587 14.528 -2.873 821 H LEU 102 H LEU 102 38.382 8.923 -0.790 822 HA LEU 102 HA LEU 102 36.108 8.772 0.895 823 HB2 LEU 102 HB2 LEU 102 37.902 6.542 -0.093 824 HB3 LEU 102 HB3 LEU 102 36.276 6.349 0.561 825 HG LEU 102 HG LEU 102 36.955 7.988 -1.898 826 HD11 LEU 102 HD11 LEU 102 36.188 6.183 -3.217 827 HD12 LEU 102 HD12 LEU 102 35.452 5.372 -1.834 828 HD13 LEU 102 HD13 LEU 102 37.208 5.411 -2.003 829 HD21 LEU 102 HD21 LEU 102 34.961 8.866 -0.968 830 HD22 LEU 102 HD22 LEU 102 34.397 7.274 -0.459 831 HD23 LEU 102 HD23 LEU 102 34.394 7.705 -2.170 832 H ASN 103 H ASN 103 39.538 8.115 1.446 833 HA ASN 103 HA ASN 103 39.357 6.686 3.838 834 HB2 ASN 103 HB2 ASN 103 41.439 7.131 2.470 835 HB3 ASN 103 HB3 ASN 103 41.486 8.732 3.202 836 HD21 ASN 103 HD21 ASN 103 43.668 7.149 3.715 837 HD22 ASN 103 HD22 ASN 103 43.627 6.554 5.304 838 H MET 104 H MET 104 39.475 10.201 3.304 839 HA MET 104 HA MET 104 39.382 10.908 6.053 840 HB2 MET 104 HB2 MET 104 40.045 12.410 4.116 841 HB3 MET 104 HB3 MET 104 38.323 12.575 3.769 842 HG2 MET 104 HG2 MET 104 37.986 13.325 6.146 843 HG3 MET 104 HG3 MET 104 39.738 13.330 6.339 844 HE1 MET 104 HE1 MET 104 41.265 14.289 4.842 845 HE2 MET 104 HE2 MET 104 41.149 15.931 4.213 846 HE3 MET 104 HE3 MET 104 40.641 14.572 3.212 847 H VAL 105 H VAL 105 36.879 10.339 3.619 848 HA VAL 105 HA VAL 105 34.672 11.312 5.044 849 HB VAL 105 HB VAL 105 34.813 9.042 3.039 850 HG11 VAL 105 HG11 VAL 105 32.407 9.589 2.646 851 HG12 VAL 105 HG12 VAL 105 32.458 10.682 4.031 852 HG13 VAL 105 HG13 VAL 105 32.698 8.950 4.264 853 HG21 VAL 105 HG21 VAL 105 33.876 11.850 2.497 854 HG22 VAL 105 HG22 VAL 105 34.508 10.652 1.368 855 HG23 VAL 105 HG23 VAL 105 35.598 11.483 2.474 856 H ALA 106 H ALA 106 36.289 8.158 5.158 857 HA ALA 106 HA ALA 106 34.415 6.765 6.699 858 HB1 ALA 106 HB1 ALA 106 36.133 5.211 7.149 859 HB2 ALA 106 HB2 ALA 106 37.392 6.442 7.041 860 HB3 ALA 106 HB3 ALA 106 36.563 5.896 5.582 861 H GLU 107 H GLU 107 37.045 8.935 7.692 862 HA GLU 107 HA GLU 107 36.700 8.575 10.488 863 HB2 GLU 107 HB2 GLU 107 37.826 10.917 8.936 864 HB3 GLU 107 HB3 GLU 107 37.959 10.707 10.682 865 HG2 GLU 107 HG2 GLU 107 39.007 8.768 8.602 866 HG3 GLU 107 HG3 GLU 107 39.989 9.910 9.511 867 H ILE 108 H ILE 108 35.274 10.816 8.147 868 HA ILE 108 HA ILE 108 33.944 12.529 9.917 869 HB ILE 108 HB ILE 108 33.093 11.595 7.160 870 HG12 ILE 108 HG12 ILE 108 34.649 14.054 8.015 871 HG13 ILE 108 HG13 ILE 108 35.382 12.604 7.335 872 HG21 ILE 108 HG21 ILE 108 32.355 14.148 8.621 873 HG22 ILE 108 HG22 ILE 108 31.296 12.741 8.513 874 HG23 ILE 108 HG23 ILE 108 31.762 13.610 7.050 875 HD11 ILE 108 HD11 ILE 108 33.726 14.695 6.002 876 HD12 ILE 108 HD12 ILE 108 33.540 13.038 5.428 877 HD13 ILE 108 HD13 ILE 108 35.123 13.815 5.391 878 H LYS 109 H LYS 109 32.835 9.502 8.401 879 HA LYS 109 HA LYS 109 30.299 9.440 9.666 880 HB2 LYS 109 HB2 LYS 109 31.980 7.156 8.606 881 HB3 LYS 109 HB3 LYS 109 30.261 7.074 8.995 882 HG2 LYS 109 HG2 LYS 109 29.897 8.959 7.346 883 HG3 LYS 109 HG3 LYS 109 31.576 8.756 6.850 884 HD2 LYS 109 HD2 LYS 109 29.490 6.557 6.797 885 HD3 LYS 109 HD3 LYS 109 29.989 7.498 5.392 886 HE2 LYS 109 HE2 LYS 109 32.403 6.739 6.062 887 HE3 LYS 109 HE3 LYS 109 31.565 5.478 6.967 888 HZ1 LYS 109 HZ1 LYS 109 30.562 4.668 5.021 889 HZ2 LYS 109 HZ2 LYS 109 32.190 4.923 4.610 890 HZ3 LYS 109 HZ3 LYS 109 31.002 6.032 4.113 891 H ALA 110 H ALA 110 33.473 8.200 10.598 892 HA ALA 110 HA ALA 110 32.613 6.498 12.678 893 HB1 ALA 110 HB1 ALA 110 34.918 6.468 13.381 894 HB2 ALA 110 HB2 ALA 110 35.254 7.958 12.501 895 HB3 ALA 110 HB3 ALA 110 34.881 6.478 11.617 896 H LEU 111 H LEU 111 33.610 9.909 12.701 897 HA LEU 111 HA LEU 111 33.344 10.188 15.542 898 HB2 LEU 111 HB2 LEU 111 34.796 11.639 14.120 899 HB3 LEU 111 HB3 LEU 111 33.338 12.356 13.433 900 HG LEU 111 HG LEU 111 32.627 12.920 15.803 901 HD11 LEU 111 HD11 LEU 111 35.424 11.892 16.283 902 HD12 LEU 111 HD12 LEU 111 33.942 11.488 17.149 903 HD13 LEU 111 HD13 LEU 111 34.686 13.071 17.368 904 HD21 LEU 111 HD21 LEU 111 35.241 14.122 14.834 905 HD22 LEU 111 HD22 LEU 111 34.093 14.888 15.930 906 HD23 LEU 111 HD23 LEU 111 33.641 14.580 14.253 907 H LEU 112 H LEU 112 31.231 10.723 12.781 908 HA LEU 112 HA LEU 112 29.354 12.408 14.046 909 HB2 LEU 112 HB2 LEU 112 29.730 11.961 11.551 910 HB3 LEU 112 HB3 LEU 112 28.714 10.538 11.776 911 HG LEU 112 HG LEU 112 27.737 13.177 12.808 912 HD11 LEU 112 HD11 LEU 112 28.053 12.407 9.933 913 HD12 LEU 112 HD12 LEU 112 28.157 13.995 10.693 914 HD13 LEU 112 HD13 LEU 112 26.583 13.252 10.413 915 HD21 LEU 112 HD21 LEU 112 26.619 10.515 12.053 916 HD22 LEU 112 HD22 LEU 112 25.605 11.909 11.693 917 HD23 LEU 112 HD23 LEU 112 26.144 11.619 13.341 918 H ILE 113 H ILE 113 29.495 8.870 13.742 919 HA ILE 113 HA ILE 113 26.870 8.437 14.762 920 HB ILE 113 HB ILE 113 28.081 6.786 13.385 921 HG12 ILE 113 HG12 ILE 113 27.469 5.602 16.095 922 HG13 ILE 113 HG13 ILE 113 26.200 6.242 15.051 923 HG21 ILE 113 HG21 ILE 113 29.974 5.654 14.086 924 HG22 ILE 113 HG22 ILE 113 29.629 5.914 15.796 925 HG23 ILE 113 HG23 ILE 113 30.258 7.234 14.814 926 HD11 ILE 113 HD11 ILE 113 26.756 4.689 13.294 927 HD12 ILE 113 HD12 ILE 113 26.614 3.761 14.788 928 HD13 ILE 113 HD13 ILE 113 28.207 4.162 14.147 929 H ASN 114 H ASN 114 29.937 9.006 16.324 930 HA ASN 114 HA ASN 114 29.028 7.852 18.845 931 HB2 ASN 114 HB2 ASN 114 31.646 9.173 18.122 932 HB3 ASN 114 HB3 ASN 114 31.296 8.335 19.633 933 HD21 ASN 114 HD21 ASN 114 29.881 6.075 18.678 934 HD22 ASN 114 HD22 ASN 114 30.917 5.146 17.705 935 H ILE 115 H ILE 115 28.170 10.659 17.555 936 HA ILE 115 HA ILE 115 29.007 12.702 19.259 937 HB ILE 115 HB ILE 115 26.338 12.334 17.875 938 HG12 ILE 115 HG12 ILE 115 28.679 14.032 17.023 939 HG13 ILE 115 HG13 ILE 115 28.545 12.346 16.536 940 HG21 ILE 115 HG21 ILE 115 27.542 14.996 18.602 941 HG22 ILE 115 HG22 ILE 115 26.535 14.156 19.772 942 HG23 ILE 115 HG23 ILE 115 25.875 14.607 18.207 943 HD11 ILE 115 HD11 ILE 115 27.570 13.806 14.817 944 HD12 ILE 115 HD12 ILE 115 26.490 14.516 16.016 945 HD13 ILE 115 HD13 ILE 115 26.312 12.820 15.563 946 H TYR 116 H TYR 116 26.318 10.391 19.669 947 HA TYR 116 HA TYR 116 25.711 11.602 22.270 948 HB2 TYR 116 HB2 TYR 116 23.654 10.448 22.215 949 HB3 TYR 116 HB3 TYR 116 23.905 11.131 20.623 950 HD1 TYR 116 HD1 TYR 116 24.513 9.637 18.710 951 HD2 TYR 116 HD2 TYR 116 23.505 8.095 22.590 952 HE1 TYR 116 HE1 TYR 116 24.151 7.391 17.723 953 HE2 TYR 116 HE2 TYR 116 23.143 5.848 21.604 954 HH TYR 116 HH TYR 116 22.611 4.934 19.310 955 H LYS 117 H LYS 117 28.075 9.671 21.626 956 HA LYS 117 HA LYS 117 27.456 7.643 23.688 957 HB2 LYS 117 HB2 LYS 117 28.225 6.814 21.462 958 HB3 LYS 117 HB3 LYS 117 29.747 7.673 21.710 959 HG2 LYS 117 HG2 LYS 117 30.099 6.384 23.811 960 HG3 LYS 117 HG3 LYS 117 28.624 5.476 23.473 961 HD2 LYS 117 HD2 LYS 117 29.631 4.788 21.275 962 HD3 LYS 117 HD3 LYS 117 31.137 5.551 21.782 963 HE2 LYS 117 HE2 LYS 117 29.723 3.284 23.216 964 HE3 LYS 117 HE3 LYS 117 31.209 3.151 22.277 965 HZ1 LYS 117 HZ1 LYS 117 30.780 4.572 24.835 966 HZ2 LYS 117 HZ2 LYS 117 32.124 4.893 23.845 967 HZ3 LYS 117 HZ3 LYS 117 31.892 3.338 24.489 Start of MODEL 14 1 H GLU 1 H GLU 1 9.658 -4.310 1.792 2 HA GLU 1 HA GLU 1 10.275 -6.675 2.101 3 HB2 GLU 1 HB2 GLU 1 12.832 -5.421 3.129 4 HB3 GLU 1 HB3 GLU 1 12.454 -7.144 3.184 5 HG2 GLU 1 HG2 GLU 1 12.200 -7.136 0.708 6 HG3 GLU 1 HG3 GLU 1 12.675 -5.443 0.686 7 H ALA 2 H ALA 2 10.844 -7.727 4.386 8 HA ALA 2 HA ALA 2 8.893 -6.765 6.188 9 HB1 ALA 2 HB1 ALA 2 11.122 -8.781 6.459 10 HB2 ALA 2 HB2 ALA 2 9.394 -9.082 6.275 11 HB3 ALA 2 HB3 ALA 2 10.017 -8.417 7.785 12 H ALA 3 H ALA 3 9.054 -5.656 8.116 13 HA ALA 3 HA ALA 3 11.684 -4.701 8.986 14 HB1 ALA 3 HB1 ALA 3 11.145 -2.878 7.603 15 HB2 ALA 3 HB2 ALA 3 10.612 -2.360 9.202 16 HB3 ALA 3 HB3 ALA 3 9.435 -2.946 8.027 17 H ALA 4 H ALA 4 11.708 -3.931 11.151 18 HA ALA 4 HA ALA 4 9.887 -5.290 12.880 19 HB1 ALA 4 HB1 ALA 4 11.209 -4.463 14.658 20 HB2 ALA 4 HB2 ALA 4 11.764 -3.081 13.713 21 HB3 ALA 4 HB3 ALA 4 12.342 -4.703 13.329 22 H ALA 5 H ALA 5 8.181 -4.539 14.046 23 HA ALA 5 HA ALA 5 6.801 -2.232 13.125 24 HB1 ALA 5 HB1 ALA 5 6.215 -3.538 15.764 25 HB2 ALA 5 HB2 ALA 5 5.886 -4.393 14.258 26 HB3 ALA 5 HB3 ALA 5 5.094 -2.853 14.588 27 H ALA 6 H ALA 6 8.880 -2.846 15.916 28 HA ALA 6 HA ALA 6 8.228 -0.551 17.413 29 HB1 ALA 6 HB1 ALA 6 9.468 -2.324 18.453 30 HB2 ALA 6 HB2 ALA 6 10.505 -0.897 18.439 31 HB3 ALA 6 HB3 ALA 6 10.765 -2.188 17.266 32 H ARG 7 H ARG 7 8.865 1.529 17.323 33 HA ARG 7 HA ARG 7 9.910 2.595 14.924 34 HB2 ARG 7 HB2 ARG 7 9.662 3.833 17.674 35 HB3 ARG 7 HB3 ARG 7 10.041 4.726 16.201 36 HG2 ARG 7 HG2 ARG 7 7.907 3.885 15.199 37 HG3 ARG 7 HG3 ARG 7 7.514 3.144 16.750 38 HD2 ARG 7 HD2 ARG 7 7.952 6.100 16.241 39 HD3 ARG 7 HD3 ARG 7 6.415 5.316 16.572 40 HE ARG 7 HE ARG 7 7.042 5.071 18.824 41 HH11 ARG 7 HH11 ARG 7 9.696 6.472 16.990 42 HH12 ARG 7 HH12 ARG 7 10.514 7.014 18.415 43 HH21 ARG 7 HH21 ARG 7 8.151 5.791 20.612 44 HH22 ARG 7 HH22 ARG 7 9.654 6.633 20.436 45 H ASP 8 H ASP 8 11.415 1.828 18.036 46 HA ASP 8 HA ASP 8 13.861 3.149 17.643 47 HB2 ASP 8 HB2 ASP 8 13.241 0.626 19.196 48 HB3 ASP 8 HB3 ASP 8 14.752 1.524 19.311 49 H GLU 9 H GLU 9 12.908 -0.199 16.873 50 HA GLU 9 HA GLU 9 15.421 -0.855 15.670 51 HB2 GLU 9 HB2 GLU 9 12.702 -2.163 15.436 52 HB3 GLU 9 HB3 GLU 9 14.203 -2.846 14.811 53 HG2 GLU 9 HG2 GLU 9 15.162 -2.763 17.105 54 HG3 GLU 9 HG3 GLU 9 13.619 -2.175 17.708 55 H SER 10 H SER 10 12.295 0.267 14.440 56 HA SER 10 HA SER 10 12.845 0.002 11.691 57 HB2 SER 10 HB2 SER 10 11.092 2.064 13.047 58 HB3 SER 10 HB3 SER 10 11.019 1.581 11.355 59 HG SER 10 HG SER 10 9.964 -0.107 11.981 60 H ALA 11 H ALA 11 13.489 2.632 13.975 61 HA ALA 11 HA ALA 11 14.340 4.543 12.072 62 HB1 ALA 11 HB1 ALA 11 13.900 5.484 14.144 63 HB2 ALA 11 HB2 ALA 11 15.661 5.404 14.176 64 HB3 ALA 11 HB3 ALA 11 14.706 4.186 15.023 65 H TYR 12 H TYR 12 16.076 2.042 13.879 66 HA TYR 12 HA TYR 12 18.693 2.801 13.208 67 HB2 TYR 12 HB2 TYR 12 18.164 1.139 14.929 68 HB3 TYR 12 HB3 TYR 12 17.577 0.038 13.697 69 HD1 TYR 12 HD1 TYR 12 20.651 2.048 14.487 70 HD2 TYR 12 HD2 TYR 12 19.024 -1.629 12.975 71 HE1 TYR 12 HE1 TYR 12 22.944 1.136 14.234 72 HE2 TYR 12 HE2 TYR 12 21.316 -2.540 12.721 73 HH TYR 12 HH TYR 12 23.491 -2.137 13.106 74 H LEU 13 H LEU 13 16.374 0.727 11.500 75 HA LEU 13 HA LEU 13 18.128 -0.208 9.507 76 HB2 LEU 13 HB2 LEU 13 15.145 0.284 9.317 77 HB3 LEU 13 HB3 LEU 13 16.096 -0.725 8.226 78 HG LEU 13 HG LEU 13 15.861 -1.190 11.213 79 HD11 LEU 13 HD11 LEU 13 14.471 -2.498 8.857 80 HD12 LEU 13 HD12 LEU 13 13.710 -1.612 10.177 81 HD13 LEU 13 HD13 LEU 13 14.480 -3.167 10.489 82 HD21 LEU 13 HD21 LEU 13 16.730 -3.500 10.361 83 HD22 LEU 13 HD22 LEU 13 17.883 -2.174 10.513 84 HD23 LEU 13 HD23 LEU 13 17.234 -2.601 8.930 85 H LYS 14 H LYS 14 16.048 2.672 9.626 86 HA LYS 14 HA LYS 14 16.507 3.525 6.973 87 HB2 LYS 14 HB2 LYS 14 15.914 5.232 9.403 88 HB3 LYS 14 HB3 LYS 14 15.687 5.701 7.719 89 HG2 LYS 14 HG2 LYS 14 14.280 3.378 9.069 90 HG3 LYS 14 HG3 LYS 14 13.563 4.964 8.791 91 HD2 LYS 14 HD2 LYS 14 14.007 4.653 6.331 92 HD3 LYS 14 HD3 LYS 14 14.503 2.998 6.686 93 HE2 LYS 14 HE2 LYS 14 11.850 3.985 7.681 94 HE3 LYS 14 HE3 LYS 14 12.014 3.474 6.002 95 HZ1 LYS 14 HZ1 LYS 14 12.403 1.888 8.461 96 HZ2 LYS 14 HZ2 LYS 14 13.113 1.409 6.994 97 HZ3 LYS 14 HZ3 LYS 14 11.425 1.545 7.118 98 H LEU 15 H LEU 15 18.200 4.255 10.006 99 HA LEU 15 HA LEU 15 20.001 6.148 8.926 100 HB2 LEU 15 HB2 LEU 15 20.357 4.285 11.288 101 HB3 LEU 15 HB3 LEU 15 21.360 5.691 10.938 102 HG LEU 15 HG LEU 15 18.365 5.802 11.395 103 HD11 LEU 15 HD11 LEU 15 19.280 5.252 13.503 104 HD12 LEU 15 HD12 LEU 15 19.194 7.013 13.530 105 HD13 LEU 15 HD13 LEU 15 20.733 6.211 13.220 106 HD21 LEU 15 HD21 LEU 15 20.519 7.825 10.831 107 HD22 LEU 15 HD22 LEU 15 19.109 8.292 11.780 108 HD23 LEU 15 HD23 LEU 15 18.906 7.702 10.131 109 H GLN 16 H GLN 16 20.160 2.620 9.213 110 HA GLN 16 HA GLN 16 22.842 2.314 8.386 111 HB2 GLN 16 HB2 GLN 16 21.434 0.526 9.429 112 HB3 GLN 16 HB3 GLN 16 20.561 0.386 7.903 113 HG2 GLN 16 HG2 GLN 16 22.752 -0.061 6.763 114 HG3 GLN 16 HG3 GLN 16 23.520 -0.089 8.349 115 HE21 GLN 16 HE21 GLN 16 23.777 -2.190 9.093 116 HE22 GLN 16 HE22 GLN 16 22.700 -3.469 8.799 117 H GLU 17 H GLU 17 19.805 2.482 6.556 118 HA GLU 17 HA GLU 17 20.896 1.933 4.010 119 HB2 GLU 17 HB2 GLU 17 18.480 3.576 4.798 120 HB3 GLU 17 HB3 GLU 17 18.868 3.106 3.143 121 HG2 GLU 17 HG2 GLU 17 18.429 1.184 5.446 122 HG3 GLU 17 HG3 GLU 17 17.253 1.541 4.188 123 H GLN 18 H GLN 18 20.568 4.952 5.840 124 HA GLN 18 HA GLN 18 21.329 6.717 3.784 125 HB2 GLN 18 HB2 GLN 18 21.688 6.918 6.782 126 HB3 GLN 18 HB3 GLN 18 21.986 8.245 5.656 127 HG2 GLN 18 HG2 GLN 18 19.671 8.153 4.881 128 HG3 GLN 18 HG3 GLN 18 19.353 6.766 5.916 129 HE21 GLN 18 HE21 GLN 18 17.864 9.210 6.148 130 HE22 GLN 18 HE22 GLN 18 18.228 9.908 7.651 131 H MET 19 H MET 19 23.263 4.872 6.126 132 HA MET 19 HA MET 19 25.768 5.965 5.574 133 HB2 MET 19 HB2 MET 19 24.849 3.271 6.518 134 HB3 MET 19 HB3 MET 19 26.542 3.490 6.108 135 HG2 MET 19 HG2 MET 19 25.009 5.220 8.070 136 HG3 MET 19 HG3 MET 19 26.062 3.886 8.532 137 HE1 MET 19 HE1 MET 19 28.701 4.451 6.255 138 HE2 MET 19 HE2 MET 19 28.317 3.579 7.734 139 HE3 MET 19 HE3 MET 19 29.536 4.851 7.760 140 H ARG 20 H ARG 20 24.023 3.388 3.894 141 HA ARG 20 HA ARG 20 26.067 2.603 2.141 142 HB2 ARG 20 HB2 ARG 20 23.101 2.716 1.546 143 HB3 ARG 20 HB3 ARG 20 24.299 1.730 0.711 144 HG2 ARG 20 HG2 ARG 20 23.645 1.499 3.665 145 HG3 ARG 20 HG3 ARG 20 23.002 0.443 2.413 146 HD2 ARG 20 HD2 ARG 20 25.346 -0.178 1.797 147 HD3 ARG 20 HD3 ARG 20 25.918 0.781 3.160 148 HE ARG 20 HE ARG 20 23.941 -1.256 3.801 149 HH11 ARG 20 HH11 ARG 20 27.358 -0.472 3.638 150 HH12 ARG 20 HH12 ARG 20 27.800 -1.728 4.746 151 HH21 ARG 20 HH21 ARG 20 24.571 -2.853 5.224 152 HH22 ARG 20 HH22 ARG 20 26.243 -3.057 5.632 153 H LYS 21 H LYS 21 23.808 5.314 1.981 154 HA LYS 21 HA LYS 21 24.473 6.074 -0.683 155 HB2 LYS 21 HB2 LYS 21 22.431 6.734 0.888 156 HB3 LYS 21 HB3 LYS 21 23.481 8.092 1.286 157 HG2 LYS 21 HG2 LYS 21 23.104 7.377 -1.598 158 HG3 LYS 21 HG3 LYS 21 21.803 8.223 -0.770 159 HD2 LYS 21 HD2 LYS 21 24.550 9.321 -0.371 160 HD3 LYS 21 HD3 LYS 21 23.871 9.491 -1.983 161 HE2 LYS 21 HE2 LYS 21 21.737 10.309 -0.581 162 HE3 LYS 21 HE3 LYS 21 22.999 10.740 0.577 163 HZ1 LYS 21 HZ1 LYS 21 22.355 11.933 -1.949 164 HZ2 LYS 21 HZ2 LYS 21 24.006 11.558 -1.808 165 HZ3 LYS 21 HZ3 LYS 21 23.258 12.556 -0.659 166 H ILE 22 H ILE 22 25.767 6.953 2.508 167 HA ILE 22 HA ILE 22 27.142 9.286 1.751 168 HB ILE 22 HB ILE 22 28.190 7.310 3.780 169 HG12 ILE 22 HG12 ILE 22 25.828 7.696 4.304 170 HG13 ILE 22 HG13 ILE 22 26.845 8.533 5.464 171 HG21 ILE 22 HG21 ILE 22 28.737 9.696 4.823 172 HG22 ILE 22 HG22 ILE 22 28.599 10.210 3.145 173 HG23 ILE 22 HG23 ILE 22 29.779 8.984 3.593 174 HD11 ILE 22 HD11 ILE 22 24.983 9.969 4.739 175 HD12 ILE 22 HD12 ILE 22 25.504 9.806 3.060 176 HD13 ILE 22 HD13 ILE 22 26.530 10.645 4.224 177 H ASP 23 H ASP 23 28.158 5.891 1.731 178 HA ASP 23 HA ASP 23 30.806 6.273 0.873 179 HB2 ASP 23 HB2 ASP 23 28.915 3.964 0.374 180 HB3 ASP 23 HB3 ASP 23 30.651 3.920 0.080 181 H ALA 24 H ALA 24 27.785 5.937 -0.956 182 HA ALA 24 HA ALA 24 28.931 5.826 -3.533 183 HB1 ALA 24 HB1 ALA 24 26.769 6.093 -4.346 184 HB2 ALA 24 HB2 ALA 24 26.303 7.184 -3.041 185 HB3 ALA 24 HB3 ALA 24 26.461 5.455 -2.731 186 H ASP 25 H ASP 25 27.857 8.557 -1.535 187 HA ASP 25 HA ASP 25 28.361 10.611 -3.394 188 HB2 ASP 25 HB2 ASP 25 28.499 10.642 -0.370 189 HB3 ASP 25 HB3 ASP 25 28.513 12.078 -1.389 190 H ALA 26 H ALA 26 30.464 8.999 -1.043 191 HA ALA 26 HA ALA 26 32.701 10.696 -1.301 192 HB1 ALA 26 HB1 ALA 26 32.184 8.753 0.386 193 HB2 ALA 26 HB2 ALA 26 33.853 9.113 -0.054 194 HB3 ALA 26 HB3 ALA 26 33.015 7.757 -0.809 195 H ALA 27 H ALA 27 31.700 7.816 -3.114 196 HA ALA 27 HA ALA 27 34.056 7.517 -4.642 197 HB1 ALA 27 HB1 ALA 27 32.603 5.683 -4.724 198 HB2 ALA 27 HB2 ALA 27 32.385 6.427 -6.308 199 HB3 ALA 27 HB3 ALA 27 31.191 6.693 -5.037 200 H ALA 28 H ALA 28 31.070 9.345 -5.230 201 HA ALA 28 HA ALA 28 31.842 10.321 -7.792 202 HB1 ALA 28 HB1 ALA 28 29.924 11.638 -5.863 203 HB2 ALA 28 HB2 ALA 28 29.489 10.254 -6.863 204 HB3 ALA 28 HB3 ALA 28 29.949 11.778 -7.620 205 H LEU 29 H LEU 29 32.102 11.609 -4.500 206 HA LEU 29 HA LEU 29 33.063 14.170 -5.151 207 HB2 LEU 29 HB2 LEU 29 32.277 13.470 -2.895 208 HB3 LEU 29 HB3 LEU 29 33.745 12.514 -2.712 209 HG LEU 29 HG LEU 29 35.048 14.662 -3.163 210 HD11 LEU 29 HD11 LEU 29 32.253 15.769 -2.814 211 HD12 LEU 29 HD12 LEU 29 33.354 16.035 -4.166 212 HD13 LEU 29 HD13 LEU 29 33.705 16.746 -2.591 213 HD21 LEU 29 HD21 LEU 29 34.836 15.418 -0.859 214 HD22 LEU 29 HD22 LEU 29 34.692 13.660 -0.894 215 HD23 LEU 29 HD23 LEU 29 33.249 14.660 -0.722 216 H SER 30 H SER 30 34.757 11.095 -4.661 217 HA SER 30 HA SER 30 37.385 12.131 -4.749 218 HB2 SER 30 HB2 SER 30 38.088 9.842 -5.097 219 HB3 SER 30 HB3 SER 30 36.765 9.858 -3.935 220 HG SER 30 HG SER 30 35.776 8.654 -5.314 221 H GLU 31 H GLU 31 35.150 11.142 -7.299 222 HA GLU 31 HA GLU 31 37.170 11.274 -9.364 223 HB2 GLU 31 HB2 GLU 31 34.156 11.035 -9.524 224 HB3 GLU 31 HB3 GLU 31 35.256 10.906 -10.898 225 HG2 GLU 31 HG2 GLU 31 35.311 9.127 -8.444 226 HG3 GLU 31 HG3 GLU 31 34.635 8.679 -10.005 227 H THR 32 H THR 32 34.252 13.193 -8.583 228 HA THR 32 HA THR 32 34.850 15.173 -10.573 229 HB THR 32 HB THR 32 32.949 16.391 -9.635 230 HG1 THR 32 HG1 THR 32 33.320 14.598 -7.572 231 HG21 THR 32 HG21 THR 32 32.168 13.490 -9.525 232 HG22 THR 32 HG22 THR 32 32.740 14.196 -11.037 233 HG23 THR 32 HG23 THR 32 31.303 14.846 -10.250 234 H ARG 33 H ARG 33 35.103 15.048 -7.030 235 HA ARG 33 HA ARG 33 36.158 16.411 -5.519 236 HB2 ARG 33 HB2 ARG 33 38.027 16.715 -7.881 237 HB3 ARG 33 HB3 ARG 33 38.402 17.227 -6.234 238 HG2 ARG 33 HG2 ARG 33 37.984 14.886 -5.460 239 HG3 ARG 33 HG3 ARG 33 37.770 14.407 -7.145 240 HD2 ARG 33 HD2 ARG 33 40.270 15.625 -5.943 241 HD3 ARG 33 HD3 ARG 33 40.068 13.943 -6.418 242 HE ARG 33 HE ARG 33 40.421 16.239 -8.194 243 HH11 ARG 33 HH11 ARG 33 39.654 12.819 -7.945 244 HH12 ARG 33 HH12 ARG 33 40.043 12.512 -9.604 245 HH21 ARG 33 HH21 ARG 33 40.902 15.779 -10.320 246 HH22 ARG 33 HH22 ARG 33 40.739 14.166 -10.931 247 H THR 34 H THR 34 34.006 17.668 -6.414 248 HA THR 34 HA THR 34 34.900 20.462 -6.793 249 HB THR 34 HB THR 34 33.973 19.624 -8.903 250 HG1 THR 34 HG1 THR 34 33.519 21.747 -8.178 251 HG21 THR 34 HG21 THR 34 31.356 19.235 -7.443 252 HG22 THR 34 HG22 THR 34 32.480 17.908 -7.737 253 HG23 THR 34 HG23 THR 34 31.759 18.770 -9.096 254 H ILE 35 H ILE 35 33.575 22.062 -5.854 255 HA ILE 35 HA ILE 35 32.629 21.400 -3.287 256 HB ILE 35 HB ILE 35 33.552 23.602 -3.924 257 HG12 ILE 35 HG12 ILE 35 31.733 24.952 -2.730 258 HG13 ILE 35 HG13 ILE 35 30.804 23.455 -2.678 259 HG21 ILE 35 HG21 ILE 35 30.867 24.275 -5.106 260 HG22 ILE 35 HG22 ILE 35 32.165 23.640 -6.116 261 HG23 ILE 35 HG23 ILE 35 32.388 25.157 -5.245 262 HD11 ILE 35 HD11 ILE 35 33.639 23.679 -1.644 263 HD12 ILE 35 HD12 ILE 35 32.515 22.342 -1.406 264 HD13 ILE 35 HD13 ILE 35 32.218 23.894 -0.622 265 H GLU 36 H GLU 36 30.945 21.680 -6.360 266 HA GLU 36 HA GLU 36 28.336 22.094 -5.436 267 HB2 GLU 36 HB2 GLU 36 29.059 22.166 -7.831 268 HB3 GLU 36 HB3 GLU 36 29.141 20.404 -7.816 269 HG2 GLU 36 HG2 GLU 36 26.747 20.330 -7.135 270 HG3 GLU 36 HG3 GLU 36 26.679 22.082 -7.261 271 H GLU 37 H GLU 37 30.100 19.046 -5.967 272 HA GLU 37 HA GLU 37 27.963 17.370 -5.088 273 HB2 GLU 37 HB2 GLU 37 30.940 16.859 -5.271 274 HB3 GLU 37 HB3 GLU 37 29.726 15.620 -4.954 275 HG2 GLU 37 HG2 GLU 37 29.820 17.388 -7.414 276 HG3 GLU 37 HG3 GLU 37 30.340 15.709 -7.352 277 H LEU 38 H LEU 38 30.770 18.816 -3.495 278 HA LEU 38 HA LEU 38 30.565 17.465 -1.034 279 HB2 LEU 38 HB2 LEU 38 32.523 18.822 -1.775 280 HB3 LEU 38 HB3 LEU 38 31.568 20.281 -1.507 281 HG LEU 38 HG LEU 38 31.211 19.475 0.877 282 HD11 LEU 38 HD11 LEU 38 33.128 17.875 1.588 283 HD12 LEU 38 HD12 LEU 38 33.198 17.438 -0.119 284 HD13 LEU 38 HD13 LEU 38 31.716 17.173 0.799 285 HD21 LEU 38 HD21 LEU 38 33.958 20.150 -0.197 286 HD22 LEU 38 HD22 LEU 38 33.626 20.048 1.532 287 HD23 LEU 38 HD23 LEU 38 32.782 21.238 0.541 288 H ASP 39 H ASP 39 29.006 20.409 -2.234 289 HA ASP 39 HA ASP 39 27.964 21.363 0.179 290 HB2 ASP 39 HB2 ASP 39 27.949 22.542 -2.053 291 HB3 ASP 39 HB3 ASP 39 26.579 21.526 -2.502 292 H THR 40 H THR 40 26.666 18.956 -2.084 293 HA THR 40 HA THR 40 24.212 18.585 -0.661 294 HB THR 40 HB THR 40 23.936 16.601 -2.074 295 HG1 THR 40 HG1 THR 40 25.725 15.685 -2.572 296 HG21 THR 40 HG21 THR 40 24.006 17.727 -4.237 297 HG22 THR 40 HG22 THR 40 25.141 18.922 -3.606 298 HG23 THR 40 HG23 THR 40 23.487 18.867 -2.996 299 H PHE 41 H PHE 41 27.393 17.054 -0.536 300 HA PHE 41 HA PHE 41 26.703 14.790 0.973 301 HB2 PHE 41 HB2 PHE 41 28.849 14.959 -0.106 302 HB3 PHE 41 HB3 PHE 41 29.265 16.375 0.834 303 HD1 PHE 41 HD1 PHE 41 31.322 15.485 1.690 304 HD2 PHE 41 HD2 PHE 41 27.628 13.382 2.317 305 HE1 PHE 41 HE1 PHE 41 32.430 14.035 3.369 306 HE2 PHE 41 HE2 PHE 41 28.741 11.942 4.003 307 HZ PHE 41 HZ PHE 41 31.132 12.257 4.521 308 H LYS 42 H LYS 42 27.703 18.043 2.016 309 HA LYS 42 HA LYS 42 27.783 17.512 4.778 310 HB2 LYS 42 HB2 LYS 42 27.106 20.099 3.358 311 HB3 LYS 42 HB3 LYS 42 27.547 19.950 5.061 312 HG2 LYS 42 HG2 LYS 42 29.702 18.848 4.297 313 HG3 LYS 42 HG3 LYS 42 29.273 19.326 2.654 314 HD2 LYS 42 HD2 LYS 42 29.534 21.247 4.985 315 HD3 LYS 42 HD3 LYS 42 30.785 20.970 3.774 316 HE2 LYS 42 HE2 LYS 42 28.914 21.534 2.050 317 HE3 LYS 42 HE3 LYS 42 28.083 22.252 3.429 318 HZ1 LYS 42 HZ1 LYS 42 29.682 23.687 2.018 319 HZ2 LYS 42 HZ2 LYS 42 30.903 22.914 2.913 320 HZ3 LYS 42 HZ3 LYS 42 29.712 23.830 3.708 321 H LEU 43 H LEU 43 25.121 18.549 2.673 322 HA LEU 43 HA LEU 43 23.206 18.909 4.732 323 HB2 LEU 43 HB2 LEU 43 22.772 18.161 1.830 324 HB3 LEU 43 HB3 LEU 43 21.544 18.788 2.928 325 HG LEU 43 HG LEU 43 24.090 20.258 2.192 326 HD11 LEU 43 HD11 LEU 43 22.295 19.893 0.361 327 HD12 LEU 43 HD12 LEU 43 22.818 21.549 0.672 328 HD13 LEU 43 HD13 LEU 43 21.287 20.969 1.330 329 HD21 LEU 43 HD21 LEU 43 21.672 20.900 3.881 330 HD22 LEU 43 HD22 LEU 43 22.650 22.182 3.165 331 HD23 LEU 43 HD23 LEU 43 23.377 21.050 4.306 332 H ASP 44 H ASP 44 24.093 16.111 2.741 333 HA ASP 44 HA ASP 44 22.050 14.377 3.614 334 HB2 ASP 44 HB2 ASP 44 24.859 13.780 2.666 335 HB3 ASP 44 HB3 ASP 44 23.600 12.566 2.885 336 H VAL 45 H VAL 45 25.310 14.993 4.873 337 HA VAL 45 HA VAL 45 25.150 13.102 6.995 338 HB VAL 45 HB VAL 45 26.859 15.592 6.742 339 HG11 VAL 45 HG11 VAL 45 26.886 14.875 9.037 340 HG12 VAL 45 HG12 VAL 45 28.368 14.265 8.299 341 HG13 VAL 45 HG13 VAL 45 27.005 13.179 8.567 342 HG21 VAL 45 HG21 VAL 45 28.523 14.174 5.776 343 HG22 VAL 45 HG22 VAL 45 27.028 13.809 4.916 344 HG23 VAL 45 HG23 VAL 45 27.611 12.717 6.170 345 H ALA 46 H ALA 46 24.382 16.560 6.730 346 HA ALA 46 HA ALA 46 23.945 17.094 9.446 347 HB1 ALA 46 HB1 ALA 46 22.854 19.063 8.746 348 HB2 ALA 46 HB2 ALA 46 22.288 18.323 7.250 349 HB3 ALA 46 HB3 ALA 46 23.994 18.723 7.444 350 H ASP 47 H ASP 47 21.610 16.091 6.938 351 HA ASP 47 HA ASP 47 19.399 15.752 8.652 352 HB2 ASP 47 HB2 ASP 47 20.121 14.333 6.079 353 HB3 ASP 47 HB3 ASP 47 18.549 14.229 6.866 354 H PHE 48 H PHE 48 22.035 13.574 7.751 355 HA PHE 48 HA PHE 48 21.029 11.212 8.904 356 HB2 PHE 48 HB2 PHE 48 22.914 11.286 7.336 357 HB3 PHE 48 HB3 PHE 48 23.890 12.106 8.540 358 HD1 PHE 48 HD1 PHE 48 24.633 10.905 10.574 359 HD2 PHE 48 HD2 PHE 48 22.553 8.916 7.390 360 HE1 PHE 48 HE1 PHE 48 25.403 8.720 11.450 361 HE2 PHE 48 HE2 PHE 48 23.292 6.718 8.281 362 HZ PHE 48 HZ PHE 48 24.710 6.619 10.315 363 H VAL 49 H VAL 49 23.161 13.734 10.268 364 HA VAL 49 HA VAL 49 23.457 12.333 12.756 365 HB VAL 49 HB VAL 49 24.632 14.335 13.525 366 HG11 VAL 49 HG11 VAL 49 25.249 13.405 10.710 367 HG12 VAL 49 HG12 VAL 49 25.927 12.786 12.216 368 HG13 VAL 49 HG13 VAL 49 26.347 14.406 11.661 369 HG21 VAL 49 HG21 VAL 49 24.880 16.268 11.990 370 HG22 VAL 49 HG22 VAL 49 23.201 16.043 12.480 371 HG23 VAL 49 HG23 VAL 49 23.730 15.522 10.881 372 H THR 50 H THR 50 21.341 14.911 11.592 373 HA THR 50 HA THR 50 20.370 15.838 14.046 374 HB THR 50 HB THR 50 18.810 15.547 11.467 375 HG1 THR 50 HG1 THR 50 20.322 17.692 12.386 376 HG21 THR 50 HG21 THR 50 17.547 17.481 12.352 377 HG22 THR 50 HG22 THR 50 18.496 17.414 13.836 378 HG23 THR 50 HG23 THR 50 17.415 16.085 13.420 379 H THR 51 H THR 51 19.220 13.156 12.012 380 HA THR 51 HA THR 51 17.027 12.410 13.603 381 HB THR 51 HB THR 51 18.773 10.589 11.931 382 HG1 THR 51 HG1 THR 51 18.043 12.205 10.665 383 HG21 THR 51 HG21 THR 51 15.959 10.424 13.020 384 HG22 THR 51 HG22 THR 51 17.278 9.273 13.234 385 HG23 THR 51 HG23 THR 51 16.498 9.437 11.660 386 H VAL 52 H VAL 52 20.445 11.477 13.753 387 HA VAL 52 HA VAL 52 20.104 9.446 15.711 388 HB VAL 52 HB VAL 52 22.575 11.076 15.064 389 HG11 VAL 52 HG11 VAL 52 22.658 9.821 17.227 390 HG12 VAL 52 HG12 VAL 52 23.803 9.205 16.037 391 HG13 VAL 52 HG13 VAL 52 22.299 8.338 16.344 392 HG21 VAL 52 HG21 VAL 52 21.774 8.337 14.044 393 HG22 VAL 52 HG22 VAL 52 23.130 9.328 13.505 394 HG23 VAL 52 HG23 VAL 52 21.477 9.824 13.141 395 H VAL 53 H VAL 53 21.219 12.842 16.001 396 HA VAL 53 HA VAL 53 21.465 12.746 18.822 397 HB VAL 53 HB VAL 53 22.603 14.427 17.418 398 HG11 VAL 53 HG11 VAL 53 21.376 16.338 16.543 399 HG12 VAL 53 HG12 VAL 53 19.862 15.698 17.182 400 HG13 VAL 53 HG13 VAL 53 20.690 14.857 15.872 401 HG21 VAL 53 HG21 VAL 53 20.736 15.798 19.359 402 HG22 VAL 53 HG22 VAL 53 22.411 16.203 18.987 403 HG23 VAL 53 HG23 VAL 53 22.040 14.739 19.896 404 H GLN 54 H GLN 54 18.800 13.740 16.698 405 HA GLN 54 HA GLN 54 17.004 14.571 18.681 406 HB2 GLN 54 HB2 GLN 54 16.602 13.289 15.983 407 HB3 GLN 54 HB3 GLN 54 15.239 13.739 17.005 408 HG2 GLN 54 HG2 GLN 54 17.437 15.644 16.153 409 HG3 GLN 54 HG3 GLN 54 15.863 15.529 15.369 410 HE21 GLN 54 HE21 GLN 54 17.431 17.485 17.456 411 HE22 GLN 54 HE22 GLN 54 16.147 17.949 18.465 412 H LEU 55 H LEU 55 17.774 11.321 17.487 413 HA LEU 55 HA LEU 55 15.805 9.925 18.953 414 HB2 LEU 55 HB2 LEU 55 17.179 8.959 17.095 415 HB3 LEU 55 HB3 LEU 55 18.559 8.926 18.193 416 HG LEU 55 HG LEU 55 17.066 7.580 19.787 417 HD11 LEU 55 HD11 LEU 55 14.904 8.035 18.803 418 HD12 LEU 55 HD12 LEU 55 15.244 6.319 18.585 419 HD13 LEU 55 HD13 LEU 55 15.441 7.436 17.233 420 HD21 LEU 55 HD21 LEU 55 17.526 5.475 18.599 421 HD22 LEU 55 HD22 LEU 55 18.891 6.580 18.439 422 HD23 LEU 55 HD23 LEU 55 17.769 6.365 17.095 423 H ALA 56 H ALA 56 19.095 10.954 19.781 424 HA ALA 56 HA ALA 56 19.311 9.589 22.238 425 HB1 ALA 56 HB1 ALA 56 21.213 10.886 22.625 426 HB2 ALA 56 HB2 ALA 56 20.545 12.290 21.794 427 HB3 ALA 56 HB3 ALA 56 21.102 10.898 20.864 428 H GLU 57 H GLU 57 18.053 12.811 21.430 429 HA GLU 57 HA GLU 57 17.501 13.623 24.089 430 HB2 GLU 57 HB2 GLU 57 16.184 14.429 21.484 431 HB3 GLU 57 HB3 GLU 57 15.981 15.266 23.024 432 HG2 GLU 57 HG2 GLU 57 18.439 15.635 23.118 433 HG3 GLU 57 HG3 GLU 57 18.593 14.874 21.540 434 H GLU 58 H GLU 58 15.623 11.825 21.692 435 HA GLU 58 HA GLU 58 13.134 11.865 23.009 436 HB2 GLU 58 HB2 GLU 58 13.523 11.156 20.642 437 HB3 GLU 58 HB3 GLU 58 14.235 9.661 21.252 438 HG2 GLU 58 HG2 GLU 58 12.116 9.184 22.466 439 HG3 GLU 58 HG3 GLU 58 11.409 10.632 21.760 440 H LEU 59 H LEU 59 15.914 9.693 23.308 441 HA LEU 59 HA LEU 59 14.673 7.700 24.865 442 HB2 LEU 59 HB2 LEU 59 17.563 8.593 24.812 443 HB3 LEU 59 HB3 LEU 59 16.981 7.104 25.553 444 HG LEU 59 HG LEU 59 16.377 7.733 22.667 445 HD11 LEU 59 HD11 LEU 59 18.899 7.801 23.254 446 HD12 LEU 59 HD12 LEU 59 18.395 6.717 21.957 447 HD13 LEU 59 HD13 LEU 59 18.733 6.073 23.564 448 HD21 LEU 59 HD21 LEU 59 16.859 5.031 23.899 449 HD22 LEU 59 HD22 LEU 59 15.853 5.457 22.515 450 HD23 LEU 59 HD23 LEU 59 15.311 5.838 24.149 451 H GLU 60 H GLU 60 16.252 10.739 25.768 452 HA GLU 60 HA GLU 60 16.325 10.289 28.556 453 HB2 GLU 60 HB2 GLU 60 16.145 12.879 27.002 454 HB3 GLU 60 HB3 GLU 60 16.503 12.762 28.726 455 HG2 GLU 60 HG2 GLU 60 18.464 11.327 28.189 456 HG3 GLU 60 HG3 GLU 60 18.131 11.547 26.477 457 H HIS 61 H HIS 61 13.832 11.668 26.445 458 HA HIS 61 HA HIS 61 12.094 12.545 28.494 459 HB2 HIS 61 HB2 HIS 61 11.533 11.663 25.662 460 HB3 HIS 61 HB3 HIS 61 10.338 12.397 26.715 461 HD1 HIS 61 HD1 HIS 61 13.255 13.173 24.548 462 HD2 HIS 61 HD2 HIS 61 10.809 15.200 27.249 463 HE1 HIS 61 HE1 HIS 61 13.702 15.641 24.206 464 H ARG 62 H ARG 62 12.109 9.534 26.582 465 HA ARG 62 HA ARG 62 9.917 8.378 27.993 466 HB2 ARG 62 HB2 ARG 62 12.039 7.135 26.233 467 HB3 ARG 62 HB3 ARG 62 10.611 6.287 26.829 468 HG2 ARG 62 HG2 ARG 62 9.179 8.026 25.750 469 HG3 ARG 62 HG3 ARG 62 10.632 8.751 25.063 470 HD2 ARG 62 HD2 ARG 62 9.637 5.932 24.563 471 HD3 ARG 62 HD3 ARG 62 9.586 7.271 23.421 472 HE ARG 62 HE ARG 62 12.234 7.061 24.113 473 HH11 ARG 62 HH11 ARG 62 9.888 4.821 22.769 474 HH12 ARG 62 HH12 ARG 62 11.094 3.914 21.919 475 HH21 ARG 62 HH21 ARG 62 13.740 5.856 22.996 476 HH22 ARG 62 HH22 ARG 62 13.247 4.493 22.048 477 H PHE 63 H PHE 63 13.448 7.925 28.192 478 HA PHE 63 HA PHE 63 13.099 6.087 30.437 479 HB2 PHE 63 HB2 PHE 63 15.579 6.995 28.977 480 HB3 PHE 63 HB3 PHE 63 15.553 5.817 30.276 481 HD1 PHE 63 HD1 PHE 63 13.247 4.149 29.671 482 HD2 PHE 63 HD2 PHE 63 16.131 5.891 27.007 483 HE1 PHE 63 HE1 PHE 63 12.807 2.352 28.019 484 HE2 PHE 63 HE2 PHE 63 15.690 4.094 25.355 485 HZ PHE 63 HZ PHE 63 14.029 2.325 25.861 486 H GLY 64 H GLY 64 15.207 8.926 29.856 487 HA2 GLY 64 HA2 GLY 64 14.667 10.712 31.694 488 HA3 GLY 64 HA3 GLY 64 15.213 9.420 32.754 489 H ARG 65 H ARG 65 17.366 8.368 31.522 490 HA ARG 65 HA ARG 65 19.221 10.658 31.187 491 HB2 ARG 65 HB2 ARG 65 19.658 8.092 32.729 492 HB3 ARG 65 HB3 ARG 65 20.912 9.284 32.388 493 HG2 ARG 65 HG2 ARG 65 19.515 11.010 33.543 494 HG3 ARG 65 HG3 ARG 65 18.380 9.736 33.991 495 HD2 ARG 65 HD2 ARG 65 21.306 9.878 34.764 496 HD3 ARG 65 HD3 ARG 65 19.936 10.146 35.834 497 HE ARG 65 HE ARG 65 19.411 7.674 34.976 498 HH11 ARG 65 HH11 ARG 65 22.463 9.024 36.075 499 HH12 ARG 65 HH12 ARG 65 23.041 7.498 36.651 500 HH21 ARG 65 HH21 ARG 65 20.214 5.739 35.735 501 HH22 ARG 65 HH22 ARG 65 21.784 5.662 36.462 502 H ASN 66 H ASN 66 20.978 10.357 29.818 503 HA ASN 66 HA ASN 66 20.870 7.960 28.077 504 HB2 ASN 66 HB2 ASN 66 21.282 10.860 27.493 505 HB3 ASN 66 HB3 ASN 66 22.158 9.691 26.508 506 HD21 ASN 66 HD21 ASN 66 20.970 9.706 24.578 507 HD22 ASN 66 HD22 ASN 66 19.304 9.391 24.486 508 H ARG 67 H ARG 67 22.761 6.918 27.590 509 HA ARG 67 HA ARG 67 24.919 6.971 29.339 510 HB2 ARG 67 HB2 ARG 67 26.117 5.659 27.638 511 HB3 ARG 67 HB3 ARG 67 24.465 5.089 27.866 512 HG2 ARG 67 HG2 ARG 67 23.797 6.521 25.888 513 HG3 ARG 67 HG3 ARG 67 25.516 6.803 25.602 514 HD2 ARG 67 HD2 ARG 67 25.876 4.350 25.464 515 HD3 ARG 67 HD3 ARG 67 24.147 4.101 25.676 516 HE ARG 67 HE ARG 67 24.684 5.855 23.482 517 HH11 ARG 67 HH11 ARG 67 24.760 2.453 24.351 518 HH12 ARG 67 HH12 ARG 67 24.407 1.929 22.739 519 HH21 ARG 67 HH21 ARG 67 24.210 5.110 21.420 520 HH22 ARG 67 HH22 ARG 67 24.108 3.411 21.105 521 H ARG 68 H ARG 68 24.398 8.893 26.424 522 HA ARG 68 HA ARG 68 26.766 10.496 27.207 523 HB2 ARG 68 HB2 ARG 68 25.610 10.092 24.436 524 HB3 ARG 68 HB3 ARG 68 26.915 11.207 24.836 525 HG2 ARG 68 HG2 ARG 68 27.038 8.224 25.356 526 HG3 ARG 68 HG3 ARG 68 27.695 8.993 23.912 527 HD2 ARG 68 HD2 ARG 68 29.105 10.442 25.409 528 HD3 ARG 68 HD3 ARG 68 28.541 9.493 26.780 529 HE ARG 68 HE ARG 68 29.494 7.600 25.085 530 HH11 ARG 68 HH11 ARG 68 30.918 10.548 26.353 531 HH12 ARG 68 HH12 ARG 68 32.529 9.913 26.297 532 HH21 ARG 68 HH21 ARG 68 31.589 6.837 25.036 533 HH22 ARG 68 HH22 ARG 68 32.902 7.836 25.562 534 H GLY 69 H GLY 69 26.503 12.697 27.347 535 HA2 GLY 69 HA2 GLY 69 23.773 13.570 27.784 536 HA3 GLY 69 HA3 GLY 69 25.235 14.496 28.109 537 H ARG 70 H ARG 70 23.278 15.909 27.032 538 HA ARG 70 HA ARG 70 22.938 15.876 24.246 539 HB2 ARG 70 HB2 ARG 70 22.907 18.278 26.091 540 HB3 ARG 70 HB3 ARG 70 22.181 18.188 24.488 541 HG2 ARG 70 HG2 ARG 70 21.408 16.387 26.800 542 HG3 ARG 70 HG3 ARG 70 20.537 17.854 26.357 543 HD2 ARG 70 HD2 ARG 70 20.212 16.893 24.061 544 HD3 ARG 70 HD3 ARG 70 20.937 15.393 24.634 545 HE ARG 70 HE ARG 70 18.940 14.900 25.670 546 HH11 ARG 70 HH11 ARG 70 19.012 18.363 25.093 547 HH12 ARG 70 HH12 ARG 70 17.383 18.589 25.637 548 HH21 ARG 70 HH21 ARG 70 16.849 15.255 26.364 549 HH22 ARG 70 HH22 ARG 70 16.177 16.851 26.351 550 H THR 71 H THR 71 25.332 17.538 26.269 551 HA THR 71 HA THR 71 26.470 19.050 24.140 552 HB THR 71 HB THR 71 28.261 19.554 25.735 553 HG1 THR 71 HG1 THR 71 28.511 18.351 27.448 554 HG21 THR 71 HG21 THR 71 25.891 20.553 25.890 555 HG22 THR 71 HG22 THR 71 26.926 20.712 27.310 556 HG23 THR 71 HG23 THR 71 25.666 19.479 27.271 557 H GLU 72 H GLU 72 27.214 15.899 25.552 558 HA GLU 72 HA GLU 72 29.764 15.584 24.361 559 HB2 GLU 72 HB2 GLU 72 27.756 13.513 25.279 560 HB3 GLU 72 HB3 GLU 72 29.430 13.167 24.841 561 HG2 GLU 72 HG2 GLU 72 30.187 14.772 26.586 562 HG3 GLU 72 HG3 GLU 72 28.511 15.021 27.055 563 H ILE 73 H ILE 73 26.498 14.741 23.272 564 HA ILE 73 HA ILE 73 27.331 13.273 20.982 565 HB ILE 73 HB ILE 73 24.707 14.700 21.493 566 HG12 ILE 73 HG12 ILE 73 25.463 11.795 21.927 567 HG13 ILE 73 HG13 ILE 73 25.404 12.996 23.217 568 HG21 ILE 73 HG21 ILE 73 25.389 12.414 19.617 569 HG22 ILE 73 HG22 ILE 73 25.095 14.077 19.111 570 HG23 ILE 73 HG23 ILE 73 23.795 13.136 19.840 571 HD11 ILE 73 HD11 ILE 73 23.286 11.842 23.216 572 HD12 ILE 73 HD12 ILE 73 23.106 12.068 21.476 573 HD13 ILE 73 HD13 ILE 73 23.007 13.456 22.560 574 H TYR 74 H TYR 74 26.541 16.685 21.524 575 HA TYR 74 HA TYR 74 26.469 17.453 18.806 576 HB2 TYR 74 HB2 TYR 74 27.167 19.079 21.248 577 HB3 TYR 74 HB3 TYR 74 26.854 19.746 19.658 578 HD1 TYR 74 HD1 TYR 74 24.507 18.023 18.844 579 HD2 TYR 74 HD2 TYR 74 25.452 19.980 22.551 580 HE1 TYR 74 HE1 TYR 74 22.096 18.142 19.399 581 HE2 TYR 74 HE2 TYR 74 23.039 20.093 23.106 582 HH TYR 74 HH TYR 74 20.658 19.672 20.958 583 H LYS 75 H LYS 75 29.151 17.070 21.067 584 HA LYS 75 HA LYS 75 31.056 18.655 19.779 585 HB2 LYS 75 HB2 LYS 75 31.339 17.612 22.030 586 HB3 LYS 75 HB3 LYS 75 31.598 16.058 21.233 587 HG2 LYS 75 HG2 LYS 75 33.496 17.048 19.969 588 HG3 LYS 75 HG3 LYS 75 33.269 18.559 20.848 589 HD2 LYS 75 HD2 LYS 75 33.616 17.297 22.989 590 HD3 LYS 75 HD3 LYS 75 34.012 15.870 22.029 591 HE2 LYS 75 HE2 LYS 75 35.987 16.807 21.203 592 HE3 LYS 75 HE3 LYS 75 35.444 18.458 21.498 593 HZ1 LYS 75 HZ1 LYS 75 36.256 18.416 23.550 594 HZ2 LYS 75 HZ2 LYS 75 37.072 16.991 23.116 595 HZ3 LYS 75 HZ3 LYS 75 35.565 16.906 23.895 596 H ILE 76 H ILE 76 30.155 15.270 19.202 597 HA ILE 76 HA ILE 76 32.158 14.788 17.237 598 HB ILE 76 HB ILE 76 29.491 13.417 17.676 599 HG12 ILE 76 HG12 ILE 76 31.315 11.641 18.529 600 HG13 ILE 76 HG13 ILE 76 32.253 13.105 18.802 601 HG21 ILE 76 HG21 ILE 76 31.799 12.841 15.829 602 HG22 ILE 76 HG22 ILE 76 30.069 12.778 15.492 603 HG23 ILE 76 HG23 ILE 76 30.824 11.517 16.467 604 HD11 ILE 76 HD11 ILE 76 30.625 12.143 20.666 605 HD12 ILE 76 HD12 ILE 76 29.420 13.054 19.756 606 HD13 ILE 76 HD13 ILE 76 30.824 13.879 20.436 607 H VAL 77 H VAL 77 28.893 16.139 17.097 608 HA VAL 77 HA VAL 77 28.502 15.971 14.320 609 HB VAL 77 HB VAL 77 27.473 18.096 16.217 610 HG11 VAL 77 HG11 VAL 77 26.647 17.187 13.453 611 HG12 VAL 77 HG12 VAL 77 27.056 18.818 13.981 612 HG13 VAL 77 HG13 VAL 77 25.553 18.068 14.520 613 HG21 VAL 77 HG21 VAL 77 25.425 16.552 16.176 614 HG22 VAL 77 HG22 VAL 77 26.814 15.978 17.100 615 HG23 VAL 77 HG23 VAL 77 26.494 15.327 15.492 616 H LYS 78 H LYS 78 29.949 18.581 16.290 617 HA LYS 78 HA LYS 78 30.432 20.212 13.979 618 HB2 LYS 78 HB2 LYS 78 31.494 21.764 15.475 619 HB3 LYS 78 HB3 LYS 78 30.027 21.161 16.236 620 HG2 LYS 78 HG2 LYS 78 31.409 19.521 17.510 621 HG3 LYS 78 HG3 LYS 78 32.861 20.243 16.812 622 HD2 LYS 78 HD2 LYS 78 32.030 22.473 17.742 623 HD3 LYS 78 HD3 LYS 78 30.851 21.538 18.663 624 HE2 LYS 78 HE2 LYS 78 32.742 20.195 19.617 625 HE3 LYS 78 HE3 LYS 78 33.867 21.285 18.806 626 HZ1 LYS 78 HZ1 LYS 78 32.168 21.754 21.122 627 HZ2 LYS 78 HZ2 LYS 78 32.330 23.047 20.032 628 HZ3 LYS 78 HZ3 LYS 78 33.707 22.370 20.761 629 H GLU 79 H GLU 79 32.445 18.052 15.959 630 HA GLU 79 HA GLU 79 34.910 18.681 14.754 631 HB2 GLU 79 HB2 GLU 79 33.922 16.134 16.037 632 HB3 GLU 79 HB3 GLU 79 35.581 16.356 15.480 633 HG2 GLU 79 HG2 GLU 79 34.171 18.146 17.480 634 HG3 GLU 79 HG3 GLU 79 35.322 16.882 17.898 635 H VAL 80 H VAL 80 32.373 16.394 13.794 636 HA VAL 80 HA VAL 80 33.756 15.300 11.574 637 HB VAL 80 HB VAL 80 30.786 15.632 12.078 638 HG11 VAL 80 HG11 VAL 80 31.234 15.271 9.678 639 HG12 VAL 80 HG12 VAL 80 30.507 13.836 10.401 640 HG13 VAL 80 HG13 VAL 80 32.239 13.876 10.072 641 HG21 VAL 80 HG21 VAL 80 30.849 13.550 13.113 642 HG22 VAL 80 HG22 VAL 80 32.407 14.207 13.611 643 HG23 VAL 80 HG23 VAL 80 32.323 13.059 12.280 644 H ASP 81 H ASP 81 31.656 18.150 11.938 645 HA ASP 81 HA ASP 81 31.505 18.886 9.239 646 HB2 ASP 81 HB2 ASP 81 31.579 20.667 11.687 647 HB3 ASP 81 HB3 ASP 81 31.095 21.180 10.074 648 H ARG 82 H ARG 82 33.995 19.581 11.680 649 HA ARG 82 HA ARG 82 35.598 21.307 10.153 650 HB2 ARG 82 HB2 ARG 82 36.471 19.232 12.180 651 HB3 ARG 82 HB3 ARG 82 37.460 20.568 11.596 652 HG2 ARG 82 HG2 ARG 82 34.796 20.927 12.990 653 HG3 ARG 82 HG3 ARG 82 36.352 21.008 13.811 654 HD2 ARG 82 HD2 ARG 82 37.019 22.838 12.228 655 HD3 ARG 82 HD3 ARG 82 35.381 22.814 11.581 656 HE ARG 82 HE ARG 82 35.081 23.100 14.308 657 HH11 ARG 82 HH11 ARG 82 36.682 24.937 11.781 658 HH12 ARG 82 HH12 ARG 82 36.474 26.446 12.608 659 HH21 ARG 82 HH21 ARG 82 34.842 25.072 15.325 660 HH22 ARG 82 HH22 ARG 82 35.444 26.519 14.589 661 H LYS 83 H LYS 83 35.558 17.759 10.335 662 HA LYS 83 HA LYS 83 37.646 17.282 8.501 663 HB2 LYS 83 HB2 LYS 83 35.165 15.612 8.974 664 HB3 LYS 83 HB3 LYS 83 36.668 15.060 8.237 665 HG2 LYS 83 HG2 LYS 83 36.427 16.138 11.060 666 HG3 LYS 83 HG3 LYS 83 36.494 14.427 10.642 667 HD2 LYS 83 HD2 LYS 83 38.701 14.874 9.504 668 HD3 LYS 83 HD3 LYS 83 38.647 16.506 10.172 669 HE2 LYS 83 HE2 LYS 83 38.271 14.164 12.010 670 HE3 LYS 83 HE3 LYS 83 39.898 14.599 11.488 671 HZ1 LYS 83 HZ1 LYS 83 39.889 16.429 12.740 672 HZ2 LYS 83 HZ2 LYS 83 38.581 15.718 13.558 673 HZ3 LYS 83 HZ3 LYS 83 38.300 16.845 12.318 674 H LEU 84 H LEU 84 34.152 17.746 8.031 675 HA LEU 84 HA LEU 84 34.158 17.398 5.221 676 HB2 LEU 84 HB2 LEU 84 32.310 19.072 6.942 677 HB3 LEU 84 HB3 LEU 84 31.999 18.589 5.275 678 HG LEU 84 HG LEU 84 32.444 16.654 7.567 679 HD11 LEU 84 HD11 LEU 84 30.323 17.970 7.745 680 HD12 LEU 84 HD12 LEU 84 30.043 16.250 7.468 681 HD13 LEU 84 HD13 LEU 84 29.874 17.396 6.139 682 HD21 LEU 84 HD21 LEU 84 31.429 15.058 5.843 683 HD22 LEU 84 HD22 LEU 84 33.067 15.615 5.499 684 HD23 LEU 84 HD23 LEU 84 31.697 16.330 4.650 685 H LEU 85 H LEU 85 34.691 20.250 7.270 686 HA LEU 85 HA LEU 85 34.902 22.143 5.184 687 HB2 LEU 85 HB2 LEU 85 36.171 22.053 7.928 688 HB3 LEU 85 HB3 LEU 85 36.285 23.439 6.844 689 HG LEU 85 HG LEU 85 33.645 22.222 7.691 690 HD11 LEU 85 HD11 LEU 85 35.173 23.267 9.543 691 HD12 LEU 85 HD12 LEU 85 33.487 23.774 9.444 692 HD13 LEU 85 HD13 LEU 85 34.759 24.799 8.778 693 HD21 LEU 85 HD21 LEU 85 33.305 23.492 5.739 694 HD22 LEU 85 HD22 LEU 85 34.528 24.681 6.189 695 HD23 LEU 85 HD23 LEU 85 32.976 24.653 7.025 696 H ASP 86 H ASP 86 37.289 19.958 6.652 697 HA ASP 86 HA ASP 86 39.562 20.885 5.291 698 HB2 ASP 86 HB2 ASP 86 38.871 18.063 6.142 699 HB3 ASP 86 HB3 ASP 86 40.469 18.606 5.641 700 H LEU 87 H LEU 87 37.065 18.545 4.311 701 HA LEU 87 HA LEU 87 38.146 17.870 1.797 702 HB2 LEU 87 HB2 LEU 87 35.227 18.137 2.567 703 HB3 LEU 87 HB3 LEU 87 35.856 17.259 1.174 704 HG LEU 87 HG LEU 87 36.582 16.625 4.047 705 HD11 LEU 87 HD11 LEU 87 34.133 16.241 3.273 706 HD12 LEU 87 HD12 LEU 87 34.988 14.883 4.004 707 HD13 LEU 87 HD13 LEU 87 34.809 14.972 2.252 708 HD21 LEU 87 HD21 LEU 87 38.300 15.904 2.509 709 HD22 LEU 87 HD22 LEU 87 37.096 15.265 1.390 710 HD23 LEU 87 HD23 LEU 87 37.357 14.479 2.946 711 H THR 88 H THR 88 35.986 20.521 2.794 712 HA THR 88 HA THR 88 35.682 21.721 0.266 713 HB THR 88 HB THR 88 35.817 23.144 2.937 714 HG1 THR 88 HG1 THR 88 34.325 21.383 2.787 715 HG21 THR 88 HG21 THR 88 34.805 23.818 0.193 716 HG22 THR 88 HG22 THR 88 35.738 24.813 1.311 717 HG23 THR 88 HG23 THR 88 34.023 24.525 1.607 718 H ASP 89 H ASP 89 38.125 22.178 2.804 719 HA ASP 89 HA ASP 89 39.620 24.211 1.596 720 HB2 ASP 89 HB2 ASP 89 40.546 21.922 3.346 721 HB3 ASP 89 HB3 ASP 89 41.520 23.334 2.945 722 H ALA 90 H ALA 90 39.760 20.690 1.166 723 HA ALA 90 HA ALA 90 41.960 20.631 -0.608 724 HB1 ALA 90 HB1 ALA 90 41.384 18.526 0.181 725 HB2 ALA 90 HB2 ALA 90 40.678 18.490 -1.435 726 HB3 ALA 90 HB3 ALA 90 39.656 18.804 -0.032 727 H VAL 91 H VAL 91 38.481 21.089 -1.143 728 HA VAL 91 HA VAL 91 38.541 21.031 -3.968 729 HB VAL 91 HB VAL 91 36.670 22.523 -2.105 730 HG11 VAL 91 HG11 VAL 91 35.104 22.157 -4.144 731 HG12 VAL 91 HG12 VAL 91 36.592 21.935 -5.063 732 HG13 VAL 91 HG13 VAL 91 36.288 23.462 -4.237 733 HG21 VAL 91 HG21 VAL 91 36.969 19.908 -2.005 734 HG22 VAL 91 HG22 VAL 91 36.064 19.936 -3.515 735 HG23 VAL 91 HG23 VAL 91 35.347 20.594 -2.046 736 H LEU 92 H LEU 92 38.779 23.734 -1.650 737 HA LEU 92 HA LEU 92 39.284 25.739 -3.589 738 HB2 LEU 92 HB2 LEU 92 39.815 25.512 -0.638 739 HB3 LEU 92 HB3 LEU 92 40.421 26.890 -1.558 740 HG LEU 92 HG LEU 92 37.979 27.037 -2.472 741 HD11 LEU 92 HD11 LEU 92 37.116 24.966 -1.577 742 HD12 LEU 92 HD12 LEU 92 36.328 26.289 -0.719 743 HD13 LEU 92 HD13 LEU 92 37.639 25.395 0.051 744 HD21 LEU 92 HD21 LEU 92 37.506 28.666 -0.843 745 HD22 LEU 92 HD22 LEU 92 39.264 28.542 -0.770 746 HD23 LEU 92 HD23 LEU 92 38.271 27.733 0.444 747 H ALA 93 H ALA 93 41.409 23.541 -1.809 748 HA ALA 93 HA ALA 93 43.883 24.586 -2.666 749 HB1 ALA 93 HB1 ALA 93 43.581 22.928 -0.833 750 HB2 ALA 93 HB2 ALA 93 44.816 22.453 -1.999 751 HB3 ALA 93 HB3 ALA 93 43.221 21.701 -2.048 752 H LYS 94 H LYS 94 41.530 22.637 -4.354 753 HA LYS 94 HA LYS 94 41.433 21.853 -6.496 754 HB2 LYS 94 HB2 LYS 94 43.787 23.716 -6.920 755 HB3 LYS 94 HB3 LYS 94 42.833 22.953 -8.190 756 HG2 LYS 94 HG2 LYS 94 40.838 24.117 -7.505 757 HG3 LYS 94 HG3 LYS 94 41.631 24.721 -6.051 758 HD2 LYS 94 HD2 LYS 94 41.659 26.541 -7.585 759 HD3 LYS 94 HD3 LYS 94 43.292 25.884 -7.607 760 HE2 LYS 94 HE2 LYS 94 42.447 24.442 -9.601 761 HE3 LYS 94 HE3 LYS 94 41.124 25.603 -9.678 762 HZ1 LYS 94 HZ1 LYS 94 42.956 26.253 -11.108 763 HZ2 LYS 94 HZ2 LYS 94 44.016 26.266 -9.779 764 HZ3 LYS 94 HZ3 LYS 94 42.738 27.384 -9.863 765 H GLU 95 H GLU 95 42.688 20.246 -4.649 766 HA GLU 95 HA GLU 95 45.214 19.248 -5.351 767 HB2 GLU 95 HB2 GLU 95 42.830 17.793 -4.180 768 HB3 GLU 95 HB3 GLU 95 44.487 17.188 -4.191 769 HG2 GLU 95 HG2 GLU 95 43.590 19.775 -2.892 770 HG3 GLU 95 HG3 GLU 95 43.900 18.270 -2.033 771 H LYS 96 H LYS 96 45.899 17.676 -6.775 772 HA LYS 96 HA LYS 96 44.115 17.159 -9.023 773 HB2 LYS 96 HB2 LYS 96 47.055 16.618 -8.609 774 HB3 LYS 96 HB3 LYS 96 46.172 16.233 -10.087 775 HG2 LYS 96 HG2 LYS 96 45.594 18.572 -10.412 776 HG3 LYS 96 HG3 LYS 96 46.330 19.004 -8.869 777 HD2 LYS 96 HD2 LYS 96 47.923 19.531 -10.607 778 HD3 LYS 96 HD3 LYS 96 48.517 18.109 -9.750 779 HE2 LYS 96 HE2 LYS 96 47.683 16.638 -11.489 780 HE3 LYS 96 HE3 LYS 96 46.902 17.990 -12.311 781 HZ1 LYS 96 HZ1 LYS 96 48.816 18.631 -13.229 782 HZ2 LYS 96 HZ2 LYS 96 49.390 17.083 -12.830 783 HZ3 LYS 96 HZ3 LYS 96 49.705 18.399 -11.803 784 H LYS 97 H LYS 97 44.785 15.495 -6.173 785 HA LYS 97 HA LYS 97 43.997 12.950 -7.442 786 HB2 LYS 97 HB2 LYS 97 45.541 11.707 -6.070 787 HB3 LYS 97 HB3 LYS 97 46.436 12.936 -6.957 788 HG2 LYS 97 HG2 LYS 97 46.336 14.401 -4.925 789 HG3 LYS 97 HG3 LYS 97 45.575 13.071 -4.051 790 HD2 LYS 97 HD2 LYS 97 47.585 11.651 -4.726 791 HD3 LYS 97 HD3 LYS 97 48.353 13.152 -5.243 792 HE2 LYS 97 HE2 LYS 97 49.116 13.030 -3.059 793 HE3 LYS 97 HE3 LYS 97 47.643 13.971 -2.822 794 HZ1 LYS 97 HZ1 LYS 97 47.767 11.014 -2.607 795 HZ2 LYS 97 HZ2 LYS 97 46.468 12.022 -2.178 796 HZ3 LYS 97 HZ3 LYS 97 47.909 12.059 -1.279 797 H GLY 98 H GLY 98 42.598 11.672 -6.311 798 HA2 GLY 98 HA2 GLY 98 41.256 13.002 -4.060 799 HA3 GLY 98 HA3 GLY 98 40.560 11.757 -5.081 800 H GLU 99 H GLU 99 43.663 10.746 -4.263 801 HA GLU 99 HA GLU 99 42.761 8.608 -2.668 802 HB2 GLU 99 HB2 GLU 99 45.531 9.801 -2.933 803 HB3 GLU 99 HB3 GLU 99 45.170 8.253 -2.168 804 HG2 GLU 99 HG2 GLU 99 44.140 7.474 -4.293 805 HG3 GLU 99 HG3 GLU 99 44.598 8.993 -5.050 806 H ASP 100 H ASP 100 44.242 11.722 -1.796 807 HA ASP 100 HA ASP 100 44.302 11.302 0.998 808 HB2 ASP 100 HB2 ASP 100 44.030 13.860 -0.597 809 HB3 ASP 100 HB3 ASP 100 44.342 13.790 1.135 810 H ILE 101 H ILE 101 41.824 12.597 -1.165 811 HA ILE 101 HA ILE 101 39.986 13.471 0.780 812 HB ILE 101 HB ILE 101 39.429 12.409 -2.006 813 HG12 ILE 101 HG12 ILE 101 39.889 15.260 -1.074 814 HG13 ILE 101 HG13 ILE 101 41.111 14.274 -1.878 815 HG21 ILE 101 HG21 ILE 101 37.376 13.653 -1.898 816 HG22 ILE 101 HG22 ILE 101 37.832 14.391 -0.365 817 HG23 ILE 101 HG23 ILE 101 37.444 12.671 -0.435 818 HD11 ILE 101 HD11 ILE 101 40.175 15.451 -3.672 819 HD12 ILE 101 HD12 ILE 101 38.549 15.383 -2.994 820 HD13 ILE 101 HD13 ILE 101 39.268 13.939 -3.707 821 H LEU 102 H LEU 102 40.484 10.311 -0.736 822 HA LEU 102 HA LEU 102 38.067 9.117 0.015 823 HB2 LEU 102 HB2 LEU 102 39.689 8.193 -1.636 824 HB3 LEU 102 HB3 LEU 102 40.739 7.736 -0.295 825 HG LEU 102 HG LEU 102 38.790 6.435 0.662 826 HD11 LEU 102 HD11 LEU 102 37.072 5.808 -1.148 827 HD12 LEU 102 HD12 LEU 102 37.644 7.234 -2.016 828 HD13 LEU 102 HD13 LEU 102 36.912 7.408 -0.421 829 HD21 LEU 102 HD21 LEU 102 39.745 5.631 -2.106 830 HD22 LEU 102 HD22 LEU 102 39.094 4.540 -0.882 831 HD23 LEU 102 HD23 LEU 102 40.632 5.360 -0.606 832 H ASN 103 H ASN 103 41.181 9.232 1.758 833 HA ASN 103 HA ASN 103 40.238 7.551 3.876 834 HB2 ASN 103 HB2 ASN 103 42.305 8.076 5.013 835 HB3 ASN 103 HB3 ASN 103 42.636 7.749 3.315 836 HD21 ASN 103 HD21 ASN 103 44.029 9.235 2.390 837 HD22 ASN 103 HD22 ASN 103 44.205 10.849 2.886 838 H MET 104 H MET 104 40.317 11.041 3.366 839 HA MET 104 HA MET 104 39.689 11.856 5.981 840 HB2 MET 104 HB2 MET 104 38.975 13.065 3.304 841 HB3 MET 104 HB3 MET 104 38.660 13.857 4.850 842 HG2 MET 104 HG2 MET 104 41.085 13.677 5.400 843 HG3 MET 104 HG3 MET 104 41.371 12.993 3.799 844 HE1 MET 104 HE1 MET 104 42.860 16.586 3.693 845 HE2 MET 104 HE2 MET 104 43.109 14.967 3.044 846 HE3 MET 104 HE3 MET 104 42.946 15.196 4.783 847 H VAL 105 H VAL 105 37.611 10.718 3.338 848 HA VAL 105 HA VAL 105 35.125 11.143 4.593 849 HB VAL 105 HB VAL 105 35.913 8.917 2.691 850 HG11 VAL 105 HG11 VAL 105 33.807 8.298 3.522 851 HG12 VAL 105 HG12 VAL 105 33.386 9.260 2.104 852 HG13 VAL 105 HG13 VAL 105 33.285 9.971 3.714 853 HG21 VAL 105 HG21 VAL 105 35.224 10.396 0.922 854 HG22 VAL 105 HG22 VAL 105 36.354 11.301 1.929 855 HG23 VAL 105 HG23 VAL 105 34.621 11.587 2.074 856 H ALA 106 H ALA 106 37.460 8.480 4.843 857 HA ALA 106 HA ALA 106 35.949 6.681 6.353 858 HB1 ALA 106 HB1 ALA 106 38.848 7.117 6.973 859 HB2 ALA 106 HB2 ALA 106 38.385 6.529 5.376 860 HB3 ALA 106 HB3 ALA 106 37.953 5.605 6.815 861 H GLU 107 H GLU 107 37.774 9.548 7.377 862 HA GLU 107 HA GLU 107 37.467 9.201 10.162 863 HB2 GLU 107 HB2 GLU 107 37.707 11.744 8.533 864 HB3 GLU 107 HB3 GLU 107 37.870 11.648 10.288 865 HG2 GLU 107 HG2 GLU 107 39.593 10.160 8.288 866 HG3 GLU 107 HG3 GLU 107 40.075 11.607 9.163 867 H ILE 108 H ILE 108 35.377 10.713 7.714 868 HA ILE 108 HA ILE 108 33.429 11.769 9.447 869 HB ILE 108 HB ILE 108 32.958 10.553 6.714 870 HG12 ILE 108 HG12 ILE 108 34.776 12.199 6.594 871 HG13 ILE 108 HG13 ILE 108 33.321 12.836 5.836 872 HG21 ILE 108 HG21 ILE 108 31.468 12.709 8.234 873 HG22 ILE 108 HG22 ILE 108 30.922 11.048 8.014 874 HG23 ILE 108 HG23 ILE 108 31.071 12.117 6.619 875 HD11 ILE 108 HD11 ILE 108 34.356 14.558 7.231 876 HD12 ILE 108 HD12 ILE 108 34.311 13.486 8.630 877 HD13 ILE 108 HD13 ILE 108 32.808 14.087 7.930 878 H LYS 109 H LYS 109 33.552 8.630 7.779 879 HA LYS 109 HA LYS 109 31.243 7.537 8.975 880 HB2 LYS 109 HB2 LYS 109 33.686 6.123 7.880 881 HB3 LYS 109 HB3 LYS 109 32.127 5.370 8.212 882 HG2 LYS 109 HG2 LYS 109 31.087 7.047 6.627 883 HG3 LYS 109 HG3 LYS 109 32.722 7.528 6.175 884 HD2 LYS 109 HD2 LYS 109 31.647 4.699 5.975 885 HD3 LYS 109 HD3 LYS 109 31.760 5.826 4.622 886 HE2 LYS 109 HE2 LYS 109 34.229 6.016 5.083 887 HE3 LYS 109 HE3 LYS 109 34.051 4.721 6.268 888 HZ1 LYS 109 HZ1 LYS 109 34.422 4.456 3.545 889 HZ2 LYS 109 HZ2 LYS 109 32.808 4.009 3.828 890 HZ3 LYS 109 HZ3 LYS 109 34.066 3.224 4.655 891 H ALA 110 H ALA 110 34.638 7.562 9.972 892 HA ALA 110 HA ALA 110 34.523 5.556 11.923 893 HB1 ALA 110 HB1 ALA 110 36.215 8.067 11.961 894 HB2 ALA 110 HB2 ALA 110 36.622 6.584 11.099 895 HB3 ALA 110 HB3 ALA 110 36.530 6.583 12.860 896 H LEU 111 H LEU 111 34.209 9.090 12.351 897 HA LEU 111 HA LEU 111 33.459 8.913 15.096 898 HB2 LEU 111 HB2 LEU 111 33.001 11.155 13.114 899 HB3 LEU 111 HB3 LEU 111 32.895 11.288 14.869 900 HG LEU 111 HG LEU 111 35.391 10.468 13.354 901 HD11 LEU 111 HD11 LEU 111 34.670 12.870 13.035 902 HD12 LEU 111 HD12 LEU 111 36.234 12.682 13.825 903 HD13 LEU 111 HD13 LEU 111 34.806 13.077 14.780 904 HD21 LEU 111 HD21 LEU 111 36.342 11.122 15.708 905 HD22 LEU 111 HD22 LEU 111 35.594 9.538 15.499 906 HD23 LEU 111 HD23 LEU 111 34.688 10.848 16.257 907 H LEU 112 H LEU 112 31.658 8.983 12.078 908 HA LEU 112 HA LEU 112 29.173 9.797 13.161 909 HB2 LEU 112 HB2 LEU 112 29.831 10.022 10.796 910 HB3 LEU 112 HB3 LEU 112 29.748 8.274 10.612 911 HG LEU 112 HG LEU 112 27.327 8.493 11.413 912 HD11 LEU 112 HD11 LEU 112 27.984 11.076 12.007 913 HD12 LEU 112 HD12 LEU 112 26.345 10.541 11.670 914 HD13 LEU 112 HD13 LEU 112 27.301 11.293 10.398 915 HD21 LEU 112 HD21 LEU 112 26.739 9.537 9.040 916 HD22 LEU 112 HD22 LEU 112 27.504 7.960 9.177 917 HD23 LEU 112 HD23 LEU 112 28.476 9.375 8.780 918 H ILE 113 H ILE 113 30.410 6.546 12.310 919 HA ILE 113 HA ILE 113 28.007 5.206 13.047 920 HB ILE 113 HB ILE 113 30.830 4.126 12.845 921 HG12 ILE 113 HG12 ILE 113 30.103 5.136 10.741 922 HG13 ILE 113 HG13 ILE 113 30.133 3.384 10.594 923 HG21 ILE 113 HG21 ILE 113 28.139 2.744 12.940 924 HG22 ILE 113 HG22 ILE 113 29.491 2.544 14.053 925 HG23 ILE 113 HG23 ILE 113 29.620 1.954 12.397 926 HD11 ILE 113 HD11 ILE 113 28.026 3.541 9.810 927 HD12 ILE 113 HD12 ILE 113 27.893 5.226 10.302 928 HD13 ILE 113 HD13 ILE 113 27.519 3.942 11.448 929 H ASN 114 H ASN 114 31.014 5.884 14.818 930 HA ASN 114 HA ASN 114 29.839 4.619 17.207 931 HB2 ASN 114 HB2 ASN 114 32.092 4.703 18.142 932 HB3 ASN 114 HB3 ASN 114 32.083 3.886 16.584 933 HD21 ASN 114 HD21 ASN 114 34.463 4.481 16.579 934 HD22 ASN 114 HD22 ASN 114 34.906 6.031 16.048 935 H ILE 115 H ILE 115 28.985 7.293 16.213 936 HA ILE 115 HA ILE 115 30.092 9.371 17.730 937 HB ILE 115 HB ILE 115 28.549 9.686 15.833 938 HG12 ILE 115 HG12 ILE 115 27.269 10.929 18.259 939 HG13 ILE 115 HG13 ILE 115 28.913 11.366 17.787 940 HG21 ILE 115 HG21 ILE 115 26.252 9.084 17.678 941 HG22 ILE 115 HG22 ILE 115 26.994 7.791 16.736 942 HG23 ILE 115 HG23 ILE 115 26.268 9.173 15.917 943 HD11 ILE 115 HD11 ILE 115 26.370 11.699 16.188 944 HD12 ILE 115 HD12 ILE 115 27.968 11.789 15.444 945 HD13 ILE 115 HD13 ILE 115 27.510 12.948 16.692 946 H TYR 116 H TYR 116 27.791 6.878 18.644 947 HA TYR 116 HA TYR 116 27.384 8.201 21.254 948 HB2 TYR 116 HB2 TYR 116 25.479 6.572 21.460 949 HB3 TYR 116 HB3 TYR 116 25.301 7.815 20.243 950 HD1 TYR 116 HD1 TYR 116 26.892 4.402 20.383 951 HD2 TYR 116 HD2 TYR 116 24.217 7.073 18.338 952 HE1 TYR 116 HE1 TYR 116 26.461 2.662 18.675 953 HE2 TYR 116 HE2 TYR 116 23.785 5.327 16.630 954 HH TYR 116 HH TYR 116 25.602 2.413 16.509 955 H LYS 117 H LYS 117 29.789 6.600 20.526 956 HA LYS 117 HA LYS 117 29.524 4.535 22.641 957 HB2 LYS 117 HB2 LYS 117 31.418 4.528 20.281 958 HB3 LYS 117 HB3 LYS 117 31.279 3.273 21.504 959 HG2 LYS 117 HG2 LYS 117 28.972 4.126 19.736 960 HG3 LYS 117 HG3 LYS 117 30.061 2.807 19.321 961 HD2 LYS 117 HD2 LYS 117 28.438 2.923 21.883 962 HD3 LYS 117 HD3 LYS 117 27.947 2.056 20.434 963 HE2 LYS 117 HE2 LYS 117 30.378 1.502 22.153 964 HE3 LYS 117 HE3 LYS 117 28.980 0.467 21.912 965 HZ1 LYS 117 HZ1 LYS 117 30.744 -0.328 20.550 966 HZ2 LYS 117 HZ2 LYS 117 31.014 1.209 19.885 967 HZ3 LYS 117 HZ3 LYS 117 29.582 0.367 19.528
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