NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645402 | 6r1v | 34379 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 0.039 2.022 2.276 2 HB2 MET 1 HB2 MET 1 2.580 0.541 1.559 3 HB3 MET 1 HB3 MET 1 2.105 2.097 0.892 4 HG2 MET 1 HG2 MET 1 2.154 3.034 3.185 5 HG3 MET 1 HG3 MET 1 2.769 1.485 3.763 6 HE1 MET 1 HE1 MET 1 5.043 4.239 0.836 7 HE2 MET 1 HE2 MET 1 3.501 4.662 1.578 8 HE3 MET 1 HE3 MET 1 3.581 3.356 0.393 9 H GLN 2 H GLN 2 -1.304 2.088 0.603 10 HA GLN 2 HA GLN 2 -0.885 0.426 -1.692 11 HB2 GLN 2 HB2 GLN 2 -3.456 -0.184 -1.588 12 HB3 GLN 2 HB3 GLN 2 -2.227 -1.215 -0.872 13 HG2 GLN 2 HG2 GLN 2 -4.153 -0.939 0.587 14 HG3 GLN 2 HG3 GLN 2 -2.680 -0.296 1.305 15 HE21 GLN 2 HE21 GLN 2 -5.707 0.543 -0.229 16 HE22 GLN 2 HE22 GLN 2 -5.774 2.175 0.353 17 H ALA 3 H ALA 3 -3.169 0.840 -3.106 18 HA ALA 3 HA ALA 3 -2.999 3.651 -3.695 19 HB1 ALA 3 HB1 ALA 3 -4.502 3.153 -5.541 20 HB2 ALA 3 HB2 ALA 3 -4.791 1.537 -4.892 21 HB3 ALA 3 HB3 ALA 3 -3.188 1.977 -5.481 22 H LYS 4 H LYS 4 -4.579 5.198 -3.402 23 HA LYS 4 HA LYS 4 -5.952 6.344 -2.034 24 HB2 LYS 4 HB2 LYS 4 -7.513 3.922 -2.744 25 HB3 LYS 4 HB3 LYS 4 -8.210 5.127 -1.671 26 HG2 LYS 4 HG2 LYS 4 -7.802 6.824 -3.446 27 HG3 LYS 4 HG3 LYS 4 -7.280 5.515 -4.508 28 HD2 LYS 4 HD2 LYS 4 -10.002 5.776 -3.230 29 HD3 LYS 4 HD3 LYS 4 -9.617 6.117 -4.916 30 HE2 LYS 4 HE2 LYS 4 -8.947 3.773 -5.218 31 HE3 LYS 4 HE3 LYS 4 -9.374 3.444 -3.539 32 HZ1 LYS 4 HZ1 LYS 4 -11.237 4.355 -5.666 33 HZ2 LYS 4 HZ2 LYS 4 -11.662 4.078 -4.048 34 HZ3 LYS 4 HZ3 LYS 4 -11.151 2.789 -5.022 35 HA PRO 5 HA PRO 5 -4.090 4.473 1.602 36 HB2 PRO 5 HB2 PRO 5 -4.252 6.730 3.151 37 HB3 PRO 5 HB3 PRO 5 -2.957 6.408 1.992 38 HG2 PRO 5 HG2 PRO 5 -5.435 8.045 1.651 39 HG3 PRO 5 HG3 PRO 5 -3.769 8.432 1.178 40 HD2 PRO 5 HD2 PRO 5 -5.523 7.565 -0.629 41 HD3 PRO 5 HD3 PRO 5 -3.837 7.003 -0.668 42 H GLN 6 H GLN 6 -5.298 3.111 2.648 43 HA GLN 6 HA GLN 6 -7.328 4.103 4.473 44 HB2 GLN 6 HB2 GLN 6 -8.989 2.455 3.769 45 HB3 GLN 6 HB3 GLN 6 -8.587 3.527 2.437 46 HG2 GLN 6 HG2 GLN 6 -6.976 1.724 1.669 47 HG3 GLN 6 HG3 GLN 6 -7.773 0.668 2.833 48 HE21 GLN 6 HE21 GLN 6 -9.382 3.176 1.007 49 HE22 GLN 6 HE22 GLN 6 -10.351 2.119 0.038 50 H ILE 7 H ILE 7 -8.095 2.223 5.873 51 HA ILE 7 HA ILE 7 -5.656 0.845 6.723 52 HB ILE 7 HB ILE 7 -8.115 1.610 8.300 53 HG12 ILE 7 HG12 ILE 7 -5.337 2.716 8.613 54 HG13 ILE 7 HG13 ILE 7 -6.454 3.402 7.438 55 HG21 ILE 7 HG21 ILE 7 -5.550 0.255 9.086 56 HG22 ILE 7 HG22 ILE 7 -7.197 -0.346 9.289 57 HG23 ILE 7 HG23 ILE 7 -6.628 1.021 10.251 58 HD11 ILE 7 HD11 ILE 7 -6.410 4.624 9.560 59 HD12 ILE 7 HD12 ILE 7 -6.982 3.175 10.389 60 HD13 ILE 7 HD13 ILE 7 -8.003 3.966 9.186 61 HA PRO 8 HA PRO 8 -7.881 -2.916 5.721 62 HB2 PRO 8 HB2 PRO 8 -5.511 -4.422 6.109 63 HB3 PRO 8 HB3 PRO 8 -6.179 -3.856 4.580 64 HG2 PRO 8 HG2 PRO 8 -3.790 -3.000 5.746 65 HG3 PRO 8 HG3 PRO 8 -4.654 -2.192 4.429 66 HD2 PRO 8 HD2 PRO 8 -4.602 -1.555 7.337 67 HD3 PRO 8 HD3 PRO 8 -4.750 -0.469 5.939 68 H LYS 9 H LYS 9 -7.783 -5.239 6.752 69 HA LYS 9 HA LYS 9 -8.377 -4.855 9.536 70 HB2 LYS 9 HB2 LYS 9 -9.050 -7.221 9.523 71 HB3 LYS 9 HB3 LYS 9 -9.828 -6.293 8.253 72 HG2 LYS 9 HG2 LYS 9 -8.288 -7.223 6.609 73 HG3 LYS 9 HG3 LYS 9 -7.468 -8.128 7.883 74 HD2 LYS 9 HD2 LYS 9 -9.043 -9.550 6.673 75 HD3 LYS 9 HD3 LYS 9 -9.534 -9.347 8.356 76 HE2 LYS 9 HE2 LYS 9 -11.059 -7.506 7.577 77 HE3 LYS 9 HE3 LYS 9 -10.689 -7.997 5.925 78 HZ1 LYS 9 HZ1 LYS 9 -11.556 -10.202 6.433 79 HZ2 LYS 9 HZ2 LYS 9 -12.734 -9.007 6.691 80 HZ3 LYS 9 HZ3 LYS 9 -11.930 -9.706 8.014 81 H ASP 10 H ASP 10 -5.717 -6.083 7.686 82 HA ASP 10 HA ASP 10 -4.457 -7.522 9.788 83 HB2 ASP 10 HB2 ASP 10 -3.788 -7.892 7.473 84 HB3 ASP 10 HB3 ASP 10 -3.249 -6.219 7.338 85 H LYS 11 H LYS 11 -3.693 -6.741 11.591 86 HA LYS 11 HA LYS 11 -3.215 -3.870 11.857 87 HB2 LYS 11 HB2 LYS 11 -3.320 -6.074 13.930 88 HB3 LYS 11 HB3 LYS 11 -3.167 -4.362 14.281 89 HG2 LYS 11 HG2 LYS 11 -5.524 -5.504 12.810 90 HG3 LYS 11 HG3 LYS 11 -5.455 -5.393 14.566 91 HD2 LYS 11 HD2 LYS 11 -6.499 -3.415 14.123 92 HD3 LYS 11 HD3 LYS 11 -4.822 -2.880 14.013 93 HE2 LYS 11 HE2 LYS 11 -5.893 -1.978 12.123 94 HE3 LYS 11 HE3 LYS 11 -4.977 -3.362 11.526 95 HZ1 LYS 11 HZ1 LYS 11 -7.893 -3.284 12.102 96 HZ2 LYS 11 HZ2 LYS 11 -7.034 -4.673 11.626 97 HZ3 LYS 11 HZ3 LYS 11 -7.163 -3.354 10.570 98 H SER 12 H SER 12 -1.311 -5.957 10.580 99 HA SER 12 HA SER 12 0.923 -5.693 12.465 100 HB2 SER 12 HB2 SER 12 0.196 -8.003 11.887 101 HB3 SER 12 HB3 SER 12 0.648 -7.687 10.213 102 HG SER 12 HG SER 12 2.789 -7.100 11.223 103 H LYS 13 H LYS 13 -0.053 -4.983 9.169 104 HA LYS 13 HA LYS 13 2.678 -4.283 8.457 105 HB2 LYS 13 HB2 LYS 13 1.794 -3.785 6.228 106 HB3 LYS 13 HB3 LYS 13 1.359 -5.401 6.758 107 HG2 LYS 13 HG2 LYS 13 -0.890 -4.706 7.229 108 HG3 LYS 13 HG3 LYS 13 -0.479 -3.021 6.901 109 HD2 LYS 13 HD2 LYS 13 -1.655 -4.096 5.017 110 HD3 LYS 13 HD3 LYS 13 -0.037 -3.543 4.580 111 HE2 LYS 13 HE2 LYS 13 -0.441 -5.745 3.649 112 HE3 LYS 13 HE3 LYS 13 0.808 -5.835 4.890 113 HZ1 LYS 13 HZ1 LYS 13 -2.048 -6.569 5.223 114 HZ2 LYS 13 HZ2 LYS 13 -0.882 -6.618 6.455 115 HZ3 LYS 13 HZ3 LYS 13 -0.746 -7.650 5.114 116 H VAL 14 H VAL 14 2.793 -2.147 7.078 117 HA VAL 14 HA VAL 14 2.005 -0.068 8.990 118 HB VAL 14 HB VAL 14 4.094 0.104 6.814 119 HG11 VAL 14 HG11 VAL 14 3.289 2.263 7.575 120 HG12 VAL 14 HG12 VAL 14 4.940 1.988 8.130 121 HG13 VAL 14 HG13 VAL 14 3.591 1.802 9.251 122 HG21 VAL 14 HG21 VAL 14 4.450 -0.572 9.733 123 HG22 VAL 14 HG22 VAL 14 5.753 -0.272 8.582 124 HG23 VAL 14 HG23 VAL 14 4.694 -1.667 8.372 125 H ALA 15 H ALA 15 0.575 1.455 8.463 126 HA ALA 15 HA ALA 15 -0.603 1.486 5.825 127 HB1 ALA 15 HB1 ALA 15 -2.118 3.183 6.749 128 HB2 ALA 15 HB2 ALA 15 -1.164 3.225 8.231 129 HB3 ALA 15 HB3 ALA 15 -2.036 1.757 7.785 130 H GLY 16 H GLY 16 1.392 3.601 7.814 131 HA2 GLY 16 HA2 GLY 16 2.549 4.815 5.483 132 HA3 GLY 16 HA3 GLY 16 1.519 5.912 6.396 133 H TYR 17 H TYR 17 4.212 6.446 6.095 134 HA TYR 17 HA TYR 17 5.367 5.708 8.704 135 HB2 TYR 17 HB2 TYR 17 6.726 6.717 6.194 136 HB3 TYR 17 HB3 TYR 17 7.545 6.381 7.714 137 HD1 TYR 17 HD1 TYR 17 8.225 4.188 8.267 138 HD2 TYR 17 HD2 TYR 17 5.619 4.814 4.963 139 HE1 TYR 17 HE1 TYR 17 8.523 1.842 7.591 140 HE2 TYR 17 HE2 TYR 17 5.907 2.475 4.282 141 HH TYR 17 HH TYR 17 7.447 0.143 6.295 142 H ILE 18 H ILE 18 6.056 7.276 10.115 143 HA ILE 18 HA ILE 18 5.055 9.966 9.509 144 HB ILE 18 HB ILE 18 4.096 8.917 11.512 145 HG12 ILE 18 HG12 ILE 18 4.586 10.760 13.110 146 HG13 ILE 18 HG13 ILE 18 5.910 11.267 12.065 147 HG21 ILE 18 HG21 ILE 18 5.456 8.545 13.514 148 HG22 ILE 18 HG22 ILE 18 6.908 8.914 12.587 149 HG23 ILE 18 HG23 ILE 18 5.942 7.496 12.183 150 HD11 ILE 18 HD11 ILE 18 2.993 11.194 11.345 151 HD12 ILE 18 HD12 ILE 18 4.305 11.640 10.252 152 HD13 ILE 18 HD13 ILE 18 3.964 12.630 11.673 153 H GLU 19 H GLU 19 6.490 11.423 8.938 154 HA GLU 19 HA GLU 19 9.217 11.151 9.988 155 HB2 GLU 19 HB2 GLU 19 8.377 12.151 7.268 156 HB3 GLU 19 HB3 GLU 19 10.025 12.172 7.883 157 HG2 GLU 19 HG2 GLU 19 9.944 9.715 8.077 158 HG3 GLU 19 HG3 GLU 19 8.332 9.742 7.363 159 H ILE 20 H ILE 20 9.575 12.608 11.414 160 HA ILE 20 HA ILE 20 8.787 15.389 10.861 161 HB ILE 20 HB ILE 20 9.003 14.141 13.612 162 HG12 ILE 20 HG12 ILE 20 6.479 14.950 12.149 163 HG13 ILE 20 HG13 ILE 20 7.059 13.289 12.251 164 HG21 ILE 20 HG21 ILE 20 7.969 16.232 14.366 165 HG22 ILE 20 HG22 ILE 20 7.982 16.832 12.709 166 HG23 ILE 20 HG23 ILE 20 9.502 16.525 13.546 167 HD11 ILE 20 HD11 ILE 20 6.845 13.362 14.675 168 HD12 ILE 20 HD12 ILE 20 5.313 13.726 13.879 169 HD13 ILE 20 HD13 ILE 20 6.276 15.028 14.579 170 HA PRO 21 HA PRO 21 13.344 15.122 10.764 171 HB2 PRO 21 HB2 PRO 21 13.598 17.679 9.728 172 HB3 PRO 21 HB3 PRO 21 13.435 16.206 8.768 173 HG2 PRO 21 HG2 PRO 21 11.366 18.221 9.517 174 HG3 PRO 21 HG3 PRO 21 11.571 17.331 7.999 175 HD2 PRO 21 HD2 PRO 21 9.694 16.652 9.800 176 HD3 PRO 21 HD3 PRO 21 10.538 15.433 8.825 177 H ASP 22 H ASP 22 11.302 17.622 12.089 178 HA ASP 22 HA ASP 22 13.326 18.999 13.529 179 HB2 ASP 22 HB2 ASP 22 11.066 19.922 12.877 180 HB3 ASP 22 HB3 ASP 22 10.372 18.931 14.151 181 H ALA 23 H ALA 23 11.558 16.088 14.098 182 HA ALA 23 HA ALA 23 12.392 16.122 16.919 183 HB1 ALA 23 HB1 ALA 23 10.578 14.541 17.351 184 HB2 ALA 23 HB2 ALA 23 10.125 14.594 15.648 185 HB3 ALA 23 HB3 ALA 23 9.975 16.040 16.645 186 H ASP 24 H ASP 24 13.479 15.074 14.120 187 HA ASP 24 HA ASP 24 14.961 13.491 13.450 188 HB2 ASP 24 HB2 ASP 24 15.925 14.046 15.729 189 HB3 ASP 24 HB3 ASP 24 15.071 12.640 16.348 190 H ILE 25 H ILE 25 12.102 12.963 13.557 191 HA ILE 25 HA ILE 25 11.966 10.088 14.175 192 HB ILE 25 HB ILE 25 9.792 12.171 13.917 193 HG12 ILE 25 HG12 ILE 25 10.720 10.559 16.305 194 HG13 ILE 25 HG13 ILE 25 11.119 12.248 16.003 195 HG21 ILE 25 HG21 ILE 25 8.236 10.385 14.623 196 HG22 ILE 25 HG22 ILE 25 9.547 9.214 14.482 197 HG23 ILE 25 HG23 ILE 25 8.967 10.063 13.050 198 HD11 ILE 25 HD11 ILE 25 8.762 12.838 16.169 199 HD12 ILE 25 HD12 ILE 25 9.324 12.022 17.629 200 HD13 ILE 25 HD13 ILE 25 8.354 11.144 16.446 201 H LYS 26 H LYS 26 12.072 8.753 12.441 202 HA LYS 26 HA LYS 26 10.192 9.293 10.274 203 HB2 LYS 26 HB2 LYS 26 12.804 8.028 9.518 204 HB3 LYS 26 HB3 LYS 26 11.637 8.851 8.504 205 HG2 LYS 26 HG2 LYS 26 13.208 10.459 8.493 206 HG3 LYS 26 HG3 LYS 26 12.455 10.914 10.026 207 HD2 LYS 26 HD2 LYS 26 14.846 10.801 10.336 208 HD3 LYS 26 HD3 LYS 26 14.089 9.458 11.199 209 HE2 LYS 26 HE2 LYS 26 14.517 8.193 8.932 210 HE3 LYS 26 HE3 LYS 26 15.755 9.432 8.727 211 HZ1 LYS 26 HZ1 LYS 26 16.648 8.771 10.917 212 HZ2 LYS 26 HZ2 LYS 26 16.715 7.525 9.767 213 HZ3 LYS 26 HZ3 LYS 26 15.519 7.505 10.971 214 H GLU 27 H GLU 27 8.960 7.777 11.554 215 HA GLU 27 HA GLU 27 10.036 5.030 11.565 216 HB2 GLU 27 HB2 GLU 27 8.411 6.419 13.699 217 HB3 GLU 27 HB3 GLU 27 8.831 4.713 13.716 218 HG2 GLU 27 HG2 GLU 27 10.800 6.987 13.768 219 HG3 GLU 27 HG3 GLU 27 10.276 6.054 15.168 220 HA PRO 28 HA PRO 28 6.203 3.717 9.786 221 HB2 PRO 28 HB2 PRO 28 5.888 1.240 10.808 222 HB3 PRO 28 HB3 PRO 28 7.164 1.631 9.648 223 HG2 PRO 28 HG2 PRO 28 7.322 1.326 12.614 224 HG3 PRO 28 HG3 PRO 28 8.462 0.786 11.369 225 HD2 PRO 28 HD2 PRO 28 8.794 3.058 12.876 226 HD3 PRO 28 HD3 PRO 28 9.494 2.825 11.264 227 H VAL 29 H VAL 29 4.181 4.334 10.197 228 HA VAL 29 HA VAL 29 3.135 4.248 12.920 229 HB VAL 29 HB VAL 29 1.888 5.363 10.395 230 HG11 VAL 29 HG11 VAL 29 0.198 4.655 12.013 231 HG12 VAL 29 HG12 VAL 29 0.260 6.414 11.893 232 HG13 VAL 29 HG13 VAL 29 0.998 5.598 13.271 233 HG21 VAL 29 HG21 VAL 29 3.845 6.623 11.071 234 HG22 VAL 29 HG22 VAL 29 3.223 6.745 12.717 235 HG23 VAL 29 HG23 VAL 29 2.382 7.554 11.393 236 H TYR 30 H TYR 30 1.861 2.664 13.609 237 HA TYR 30 HA TYR 30 0.998 0.660 11.681 238 HB2 TYR 30 HB2 TYR 30 1.268 0.642 14.678 239 HB3 TYR 30 HB3 TYR 30 0.441 -0.645 13.805 240 HD1 TYR 30 HD1 TYR 30 1.756 -1.825 11.947 241 HD2 TYR 30 HD2 TYR 30 3.590 0.568 14.946 242 HE1 TYR 30 HE1 TYR 30 3.901 -2.938 11.512 243 HE2 TYR 30 HE2 TYR 30 5.744 -0.540 14.519 244 HH TYR 30 HH TYR 30 6.247 -2.629 11.819 245 HA PRO 31 HA PRO 31 -3.120 2.288 11.930 246 HB2 PRO 31 HB2 PRO 31 -4.215 0.580 10.164 247 HB3 PRO 31 HB3 PRO 31 -3.178 1.913 9.652 248 HG2 PRO 31 HG2 PRO 31 -2.532 -0.989 9.954 249 HG3 PRO 31 HG3 PRO 31 -2.023 0.149 8.693 250 HD2 PRO 31 HD2 PRO 31 -0.452 -0.598 10.816 251 HD3 PRO 31 HD3 PRO 31 -0.282 0.938 9.946 252 H GLY 32 H GLY 32 -4.070 1.788 13.861 253 HA2 GLY 32 HA2 GLY 32 -5.250 -0.839 14.138 254 HA3 GLY 32 HA3 GLY 32 -3.984 -0.472 15.299 255 HA PRO 33 HA PRO 33 -8.059 1.348 16.742 256 HB2 PRO 33 HB2 PRO 33 -9.139 -0.660 18.129 257 HB3 PRO 33 HB3 PRO 33 -9.292 -0.547 16.380 258 HG2 PRO 33 HG2 PRO 33 -7.546 -2.321 17.997 259 HG3 PRO 33 HG3 PRO 33 -8.365 -2.654 16.461 260 HD2 PRO 33 HD2 PRO 33 -5.681 -1.919 16.791 261 HD3 PRO 33 HD3 PRO 33 -6.594 -1.940 15.269 262 H ALA 34 H ALA 34 -5.311 1.187 17.752 263 HA ALA 34 HA ALA 34 -4.093 1.748 19.592 264 HB1 ALA 34 HB1 ALA 34 -5.237 2.897 21.429 265 HB2 ALA 34 HB2 ALA 34 -6.794 2.407 20.765 266 HB3 ALA 34 HB3 ALA 34 -5.756 3.506 19.857 267 H THR 35 H THR 35 -5.162 -0.983 19.241 268 HA THR 35 HA THR 35 -5.738 -2.066 21.806 269 HB THR 35 HB THR 35 -6.408 -3.169 19.693 270 HG1 THR 35 HG1 THR 35 -4.659 -4.878 21.160 271 HG21 THR 35 HG21 THR 35 -4.472 -2.751 18.323 272 HG22 THR 35 HG22 THR 35 -4.754 -4.488 18.426 273 HG23 THR 35 HG23 THR 35 -3.467 -3.746 19.379 274 HA PRO 36 HA PRO 36 -2.011 -2.052 24.077 275 HB2 PRO 36 HB2 PRO 36 -2.394 -5.025 24.169 276 HB3 PRO 36 HB3 PRO 36 -1.961 -3.909 25.471 277 HG2 PRO 36 HG2 PRO 36 -4.465 -4.782 25.198 278 HG3 PRO 36 HG3 PRO 36 -4.127 -3.112 25.690 279 HD2 PRO 36 HD2 PRO 36 -5.168 -4.147 23.123 280 HD3 PRO 36 HD3 PRO 36 -5.350 -2.541 23.851 281 H GLU 37 H GLU 37 -2.025 -5.001 22.018 282 HA GLU 37 HA GLU 37 0.791 -5.173 21.923 283 HB2 GLU 37 HB2 GLU 37 -1.286 -6.377 20.091 284 HB3 GLU 37 HB3 GLU 37 0.421 -6.803 20.083 285 HG2 GLU 37 HG2 GLU 37 -1.480 -7.163 22.390 286 HG3 GLU 37 HG3 GLU 37 -0.894 -8.433 21.316 287 H GLN 38 H GLN 38 -1.441 -3.314 20.065 288 HA GLN 38 HA GLN 38 0.178 -2.922 17.755 289 HB2 GLN 38 HB2 GLN 38 -2.342 -2.479 18.051 290 HB3 GLN 38 HB3 GLN 38 -1.861 -0.968 18.804 291 HG2 GLN 38 HG2 GLN 38 -2.306 -0.399 16.596 292 HG3 GLN 38 HG3 GLN 38 -0.547 -0.523 16.661 293 HE21 GLN 38 HE21 GLN 38 0.470 -2.212 15.601 294 HE22 GLN 38 HE22 GLN 38 -0.346 -3.214 14.448 295 H LEU 39 H LEU 39 -0.232 -1.277 20.828 296 HA LEU 39 HA LEU 39 1.482 0.930 20.115 297 HB2 LEU 39 HB2 LEU 39 0.182 0.115 22.710 298 HB3 LEU 39 HB3 LEU 39 1.179 1.547 22.537 299 HG LEU 39 HG LEU 39 -1.383 1.038 21.019 300 HD11 LEU 39 HD11 LEU 39 -0.828 2.835 23.376 301 HD12 LEU 39 HD12 LEU 39 -1.809 1.369 23.393 302 HD13 LEU 39 HD13 LEU 39 -2.332 2.772 22.461 303 HD21 LEU 39 HD21 LEU 39 -1.183 3.380 20.363 304 HD22 LEU 39 HD22 LEU 39 0.208 2.447 19.810 305 HD23 LEU 39 HD23 LEU 39 0.353 3.498 21.220 306 H ASN 40 H ASN 40 1.836 -2.169 21.565 307 HA ASN 40 HA ASN 40 4.203 -1.635 23.040 308 HB2 ASN 40 HB2 ASN 40 2.906 -4.168 22.068 309 HB3 ASN 40 HB3 ASN 40 4.454 -4.190 22.909 310 HD21 ASN 40 HD21 ASN 40 1.897 -5.319 23.723 311 HD22 ASN 40 HD22 ASN 40 1.515 -4.583 25.238 312 H ARG 41 H ARG 41 3.584 -2.300 19.696 313 HA ARG 41 HA ARG 41 6.452 -2.720 19.240 314 HB2 ARG 41 HB2 ARG 41 5.807 -3.455 16.977 315 HB3 ARG 41 HB3 ARG 41 5.077 -4.425 18.246 316 HG2 ARG 41 HG2 ARG 41 2.965 -3.251 17.946 317 HG3 ARG 41 HG3 ARG 41 3.699 -2.235 16.703 318 HD2 ARG 41 HD2 ARG 41 3.384 -5.234 16.583 319 HD3 ARG 41 HD3 ARG 41 2.402 -4.057 15.711 320 HE ARG 41 HE ARG 41 4.681 -3.383 14.711 321 HH11 ARG 41 HH11 ARG 41 3.727 -6.638 15.564 322 HH12 ARG 41 HH12 ARG 41 4.771 -7.389 14.393 323 HH21 ARG 41 HH21 ARG 41 6.053 -4.351 13.161 324 HH22 ARG 41 HH22 ARG 41 6.117 -6.085 13.045 325 H GLY 42 H GLY 42 3.915 -0.419 18.768 326 HA2 GLY 42 HA2 GLY 42 5.748 1.610 18.031 327 HA3 GLY 42 HA3 GLY 42 4.884 1.048 16.607 328 H VAL 43 H VAL 43 3.979 3.190 16.446 329 HA VAL 43 HA VAL 43 2.061 3.925 18.512 330 HB VAL 43 HB VAL 43 1.700 5.978 17.198 331 HG11 VAL 43 HG11 VAL 43 4.600 5.354 17.736 332 HG12 VAL 43 HG12 VAL 43 3.425 5.937 18.914 333 HG13 VAL 43 HG13 VAL 43 3.909 6.968 17.568 334 HG21 VAL 43 HG21 VAL 43 3.176 6.469 15.286 335 HG22 VAL 43 HG22 VAL 43 2.095 5.115 14.962 336 HG23 VAL 43 HG23 VAL 43 3.788 4.818 15.352 337 H SER 44 H SER 44 -0.140 4.396 17.968 338 HA SER 44 HA SER 44 -1.173 2.928 15.649 339 HB2 SER 44 HB2 SER 44 -1.306 1.366 17.499 340 HB3 SER 44 HB3 SER 44 -2.030 2.594 18.535 341 HG SER 44 HG SER 44 -3.848 2.590 17.127 342 H PHE 45 H PHE 45 -3.436 3.505 15.165 343 HA PHE 45 HA PHE 45 -4.017 6.267 15.639 344 HB2 PHE 45 HB2 PHE 45 -5.713 4.083 14.403 345 HB3 PHE 45 HB3 PHE 45 -6.136 5.791 14.419 346 HD1 PHE 45 HD1 PHE 45 -5.174 3.435 12.279 347 HD2 PHE 45 HD2 PHE 45 -3.761 7.180 13.713 348 HE1 PHE 45 HE1 PHE 45 -3.921 3.753 10.188 349 HE2 PHE 45 HE2 PHE 45 -2.502 7.512 11.625 350 HZ PHE 45 HZ PHE 45 -2.580 5.796 9.859 351 H ALA 46 H ALA 46 -6.134 6.957 16.575 352 HA ALA 46 HA ALA 46 -6.320 5.917 19.230 353 HB1 ALA 46 HB1 ALA 46 -8.086 7.928 17.838 354 HB2 ALA 46 HB2 ALA 46 -6.614 8.301 18.738 355 HB3 ALA 46 HB3 ALA 46 -8.014 7.629 19.574 356 H GLU 47 H GLU 47 -8.322 5.761 16.343 357 HA GLU 47 HA GLU 47 -9.729 3.467 17.517 358 HB2 GLU 47 HB2 GLU 47 -11.047 5.751 16.032 359 HB3 GLU 47 HB3 GLU 47 -11.848 4.260 16.506 360 HG2 GLU 47 HG2 GLU 47 -11.460 4.806 18.857 361 HG3 GLU 47 HG3 GLU 47 -10.673 6.307 18.373 362 H GLU 48 H GLU 48 -11.056 2.379 15.633 363 HA GLU 48 HA GLU 48 -9.338 2.385 13.241 364 HB2 GLU 48 HB2 GLU 48 -9.719 0.234 14.641 365 HB3 GLU 48 HB3 GLU 48 -11.316 0.215 13.904 366 HG2 GLU 48 HG2 GLU 48 -10.126 0.332 11.668 367 HG3 GLU 48 HG3 GLU 48 -8.645 -0.015 12.560 368 H ASN 49 H ASN 49 -11.891 3.888 14.255 369 HA ASN 49 HA ASN 49 -13.704 3.427 12.031 370 HB2 ASN 49 HB2 ASN 49 -14.586 3.845 14.312 371 HB3 ASN 49 HB3 ASN 49 -13.854 5.446 14.285 372 HD21 ASN 49 HD21 ASN 49 -16.353 3.411 12.977 373 HD22 ASN 49 HD22 ASN 49 -17.319 4.690 12.317 374 H GLU 50 H GLU 50 -11.165 5.527 12.985 375 HA GLU 50 HA GLU 50 -11.675 7.563 11.059 376 HB2 GLU 50 HB2 GLU 50 -9.354 8.270 11.642 377 HB3 GLU 50 HB3 GLU 50 -10.420 8.136 13.024 378 HG2 GLU 50 HG2 GLU 50 -9.435 5.847 13.396 379 HG3 GLU 50 HG3 GLU 50 -8.225 6.277 12.187 380 H SER 51 H SER 51 -9.779 8.025 9.455 381 HA SER 51 HA SER 51 -8.687 5.639 8.258 382 HB2 SER 51 HB2 SER 51 -10.801 7.255 6.809 383 HB3 SER 51 HB3 SER 51 -9.803 6.004 6.069 384 HG SER 51 HG SER 51 -10.998 5.110 8.339 385 H LEU 52 H LEU 52 -7.447 6.183 6.279 386 HA LEU 52 HA LEU 52 -5.850 8.513 6.792 387 HB2 LEU 52 HB2 LEU 52 -5.640 6.612 4.461 388 HB3 LEU 52 HB3 LEU 52 -4.372 7.609 5.153 389 HG LEU 52 HG LEU 52 -5.687 5.350 6.657 390 HD11 LEU 52 HD11 LEU 52 -3.632 4.068 6.167 391 HD12 LEU 52 HD12 LEU 52 -3.164 5.323 5.016 392 HD13 LEU 52 HD13 LEU 52 -4.626 4.376 4.742 393 HD21 LEU 52 HD21 LEU 52 -3.696 5.526 8.072 394 HD22 LEU 52 HD22 LEU 52 -4.633 7.019 8.054 395 HD23 LEU 52 HD23 LEU 52 -3.146 6.899 7.113 396 H ASP 53 H ASP 53 -8.556 7.763 4.918 397 HA ASP 53 HA ASP 53 -8.188 10.058 3.131 398 HB2 ASP 53 HB2 ASP 53 -8.916 7.894 2.134 399 HB3 ASP 53 HB3 ASP 53 -10.357 7.938 3.141 400 H ASP 54 H ASP 54 -9.277 9.416 6.128 401 HA ASP 54 HA ASP 54 -11.751 10.924 6.094 402 HB2 ASP 54 HB2 ASP 54 -11.158 8.907 7.632 403 HB3 ASP 54 HB3 ASP 54 -10.236 10.076 8.568 404 H GLN 55 H GLN 55 -11.904 12.719 7.832 405 HA GLN 55 HA GLN 55 -9.758 14.608 7.309 406 HB2 GLN 55 HB2 GLN 55 -12.107 15.327 7.104 407 HB3 GLN 55 HB3 GLN 55 -12.383 14.929 8.791 408 HG2 GLN 55 HG2 GLN 55 -10.197 16.826 8.254 409 HG3 GLN 55 HG3 GLN 55 -11.828 17.393 7.901 410 HE21 GLN 55 HE21 GLN 55 -9.866 18.152 9.973 411 HE22 GLN 55 HE22 GLN 55 -10.699 17.980 11.483 412 H ASN 56 H ASN 56 -10.784 12.416 9.689 413 HA ASN 56 HA ASN 56 -9.174 13.703 11.793 414 HB2 ASN 56 HB2 ASN 56 -11.212 11.483 12.089 415 HB3 ASN 56 HB3 ASN 56 -10.434 12.381 13.387 416 HD21 ASN 56 HD21 ASN 56 -12.748 12.535 10.780 417 HD22 ASN 56 HD22 ASN 56 -13.590 13.937 11.354 418 H ILE 57 H ILE 57 -7.116 12.928 11.603 419 HA ILE 57 HA ILE 57 -6.871 10.002 11.846 420 HB ILE 57 HB ILE 57 -4.829 11.866 10.606 421 HG12 ILE 57 HG12 ILE 57 -5.326 10.103 8.661 422 HG13 ILE 57 HG13 ILE 57 -6.896 10.059 9.455 423 HG21 ILE 57 HG21 ILE 57 -3.600 9.810 10.070 424 HG22 ILE 57 HG22 ILE 57 -4.773 8.882 11.006 425 HG23 ILE 57 HG23 ILE 57 -3.749 10.074 11.808 426 HD11 ILE 57 HD11 ILE 57 -5.529 12.502 8.376 427 HD12 ILE 57 HD12 ILE 57 -7.100 12.468 9.176 428 HD13 ILE 57 HD13 ILE 57 -6.878 11.643 7.631 429 H SER 58 H SER 58 -6.375 9.497 13.864 430 HA SER 58 HA SER 58 -4.844 11.476 15.440 431 HB2 SER 58 HB2 SER 58 -6.919 9.544 16.491 432 HB3 SER 58 HB3 SER 58 -6.151 10.868 17.369 433 HG SER 58 HG SER 58 -7.583 11.380 15.000 434 H ILE 59 H ILE 59 -2.889 10.774 15.961 435 HA ILE 59 HA ILE 59 -2.417 7.880 16.084 436 HB ILE 59 HB ILE 59 -0.425 10.139 15.799 437 HG12 ILE 59 HG12 ILE 59 -1.383 8.077 13.795 438 HG13 ILE 59 HG13 ILE 59 -1.791 9.790 13.782 439 HG21 ILE 59 HG21 ILE 59 0.495 8.224 17.017 440 HG22 ILE 59 HG22 ILE 59 1.237 8.398 15.428 441 HG23 ILE 59 HG23 ILE 59 0.016 7.155 15.699 442 HD11 ILE 59 HD11 ILE 59 -0.071 9.280 12.151 443 HD12 ILE 59 HD12 ILE 59 0.962 8.627 13.424 444 HD13 ILE 59 HD13 ILE 59 0.557 10.344 13.411 445 H ALA 60 H ALA 60 -2.239 6.984 18.003 446 HA ALA 60 HA ALA 60 -1.949 8.608 20.383 447 HB1 ALA 60 HB1 ALA 60 -3.557 6.778 20.367 448 HB2 ALA 60 HB2 ALA 60 -2.315 6.513 21.591 449 HB3 ALA 60 HB3 ALA 60 -2.256 5.626 20.068 450 H GLY 61 H GLY 61 -0.038 9.156 21.130 451 HA2 GLY 61 HA2 GLY 61 2.360 7.818 20.238 452 HA3 GLY 61 HA3 GLY 61 2.274 9.222 21.293 453 H HIS 62 H HIS 62 3.025 6.014 21.124 454 HA HIS 62 HA HIS 62 2.380 5.390 23.883 455 HB2 HIS 62 HB2 HIS 62 2.166 3.621 22.195 456 HB3 HIS 62 HB3 HIS 62 3.871 3.786 21.791 457 HD1 HIS 62 HD1 HIS 62 5.449 2.326 23.041 458 HD2 HIS 62 HD2 HIS 62 1.744 2.608 24.912 459 HE1 HIS 62 HE1 HIS 62 5.526 0.687 24.946 460 H THR 63 H THR 63 3.634 7.063 24.855 461 HA THR 63 HA THR 63 6.452 7.196 24.615 462 HB THR 63 HB THR 63 4.925 7.972 27.096 463 HG1 THR 63 HG1 THR 63 3.960 9.544 26.036 464 HG21 THR 63 HG21 THR 63 7.301 9.189 25.669 465 HG22 THR 63 HG22 THR 63 7.357 8.238 27.155 466 HG23 THR 63 HG23 THR 63 6.560 9.810 27.146 467 H PHE 64 H PHE 64 8.056 6.217 25.836 468 HA PHE 64 HA PHE 64 7.251 4.219 27.812 469 HB2 PHE 64 HB2 PHE 64 7.509 3.378 25.286 470 HB3 PHE 64 HB3 PHE 64 9.206 3.320 25.749 471 HD1 PHE 64 HD1 PHE 64 9.758 1.101 26.021 472 HD2 PHE 64 HD2 PHE 64 6.112 2.541 27.669 473 HE1 PHE 64 HE1 PHE 64 9.375 -1.086 27.076 474 HE2 PHE 64 HE2 PHE 64 5.723 0.357 28.729 475 HZ PHE 64 HZ PHE 64 7.356 -1.460 28.431 476 H ILE 65 H ILE 65 8.955 3.556 29.191 477 HA ILE 65 HA ILE 65 11.014 5.604 29.465 478 HB ILE 65 HB ILE 65 10.146 3.395 31.339 479 HG12 ILE 65 HG12 ILE 65 9.760 6.392 31.508 480 HG13 ILE 65 HG13 ILE 65 8.519 5.246 31.012 481 HG21 ILE 65 HG21 ILE 65 12.131 5.615 31.801 482 HG22 ILE 65 HG22 ILE 65 12.510 3.902 31.638 483 HG23 ILE 65 HG23 ILE 65 11.565 4.469 33.016 484 HD11 ILE 65 HD11 ILE 65 8.606 4.205 33.221 485 HD12 ILE 65 HD12 ILE 65 8.219 5.922 33.320 486 HD13 ILE 65 HD13 ILE 65 9.843 5.361 33.713 487 H ASP 66 H ASP 66 10.694 2.111 29.225 488 HA ASP 66 HA ASP 66 13.276 1.253 29.548 489 HB2 ASP 66 HB2 ASP 66 11.444 -0.285 29.323 490 HB3 ASP 66 HB3 ASP 66 11.133 0.250 27.677 491 H ARG 67 H ARG 67 11.839 2.570 26.589 492 HA ARG 67 HA ARG 67 14.362 2.090 25.177 493 HB2 ARG 67 HB2 ARG 67 11.758 3.001 23.958 494 HB3 ARG 67 HB3 ARG 67 13.136 2.269 23.146 495 HG2 ARG 67 HG2 ARG 67 12.704 0.169 24.347 496 HG3 ARG 67 HG3 ARG 67 11.292 0.911 25.099 497 HD2 ARG 67 HD2 ARG 67 10.442 -0.318 23.292 498 HD3 ARG 67 HD3 ARG 67 10.467 1.356 22.735 499 HE ARG 67 HE ARG 67 12.486 0.808 21.472 500 HH11 ARG 67 HH11 ARG 67 10.584 -1.861 22.698 501 HH12 ARG 67 HH12 ARG 67 11.157 -2.987 21.512 502 HH21 ARG 67 HH21 ARG 67 13.217 -0.673 19.866 503 HH22 ARG 67 HH22 ARG 67 12.644 -2.320 19.899 504 HA PRO 68 HA PRO 68 15.023 6.516 25.481 505 HB2 PRO 68 HB2 PRO 68 17.568 6.548 24.738 506 HB3 PRO 68 HB3 PRO 68 17.097 5.801 26.273 507 HG2 PRO 68 HG2 PRO 68 17.715 4.507 23.641 508 HG3 PRO 68 HG3 PRO 68 18.230 4.023 25.270 509 HD2 PRO 68 HD2 PRO 68 16.095 2.913 23.908 510 HD3 PRO 68 HD3 PRO 68 16.273 2.899 25.674 511 H ASN 69 H ASN 69 15.175 4.564 22.635 512 HA ASN 69 HA ASN 69 15.072 6.970 20.976 513 HB2 ASN 69 HB2 ASN 69 17.433 6.031 21.078 514 HB3 ASN 69 HB3 ASN 69 16.811 4.619 20.230 515 HD21 ASN 69 HD21 ASN 69 17.535 7.994 20.038 516 HD22 ASN 69 HD22 ASN 69 17.463 8.123 18.306 517 H TYR 70 H TYR 70 12.803 6.187 21.165 518 HA TYR 70 HA TYR 70 12.293 4.350 18.921 519 HB2 TYR 70 HB2 TYR 70 10.086 3.875 19.930 520 HB3 TYR 70 HB3 TYR 70 11.402 3.412 21.004 521 HD1 TYR 70 HD1 TYR 70 8.546 5.613 20.524 522 HD2 TYR 70 HD2 TYR 70 11.871 4.733 23.019 523 HE1 TYR 70 HE1 TYR 70 7.574 7.005 22.293 524 HE2 TYR 70 HE2 TYR 70 10.912 6.125 24.796 525 HH TYR 70 HH TYR 70 9.343 8.030 24.974 526 H GLN 71 H GLN 71 9.530 5.112 18.730 527 HA GLN 71 HA GLN 71 9.822 7.121 16.819 528 HB2 GLN 71 HB2 GLN 71 7.290 6.199 18.174 529 HB3 GLN 71 HB3 GLN 71 7.391 7.065 16.643 530 HG2 GLN 71 HG2 GLN 71 8.874 5.101 15.881 531 HG3 GLN 71 HG3 GLN 71 8.193 4.250 17.266 532 HE21 GLN 71 HE21 GLN 71 7.210 2.756 15.880 533 HE22 GLN 71 HE22 GLN 71 5.816 3.162 14.939 534 H PHE 72 H PHE 72 7.652 7.504 19.648 535 HA PHE 72 HA PHE 72 7.695 10.352 19.145 536 HB2 PHE 72 HB2 PHE 72 6.007 8.538 20.820 537 HB3 PHE 72 HB3 PHE 72 5.963 10.277 21.092 538 HD1 PHE 72 HD1 PHE 72 6.361 8.597 17.807 539 HD2 PHE 72 HD2 PHE 72 3.770 10.745 20.413 540 HE1 PHE 72 HE1 PHE 72 4.737 8.853 15.977 541 HE2 PHE 72 HE2 PHE 72 2.141 10.998 18.588 542 HZ PHE 72 HZ PHE 72 2.623 10.053 16.369 543 H THR 73 H THR 73 9.999 8.876 20.547 544 HA THR 73 HA THR 73 10.098 9.737 23.229 545 HB THR 73 HB THR 73 12.652 9.654 21.740 546 HG1 THR 73 HG1 THR 73 11.935 7.990 20.605 547 HG21 THR 73 HG21 THR 73 13.299 8.205 23.596 548 HG22 THR 73 HG22 THR 73 11.632 8.191 24.174 549 HG23 THR 73 HG23 THR 73 12.557 9.693 24.188 550 H ASN 74 H ASN 74 11.303 11.205 20.221 551 HA ASN 74 HA ASN 74 12.220 13.532 21.757 552 HB2 ASN 74 HB2 ASN 74 13.784 12.249 20.207 553 HB3 ASN 74 HB3 ASN 74 12.848 12.910 18.871 554 HD21 ASN 74 HD21 ASN 74 14.452 14.131 18.012 555 HD22 ASN 74 HD22 ASN 74 15.143 15.512 18.798 556 H LEU 75 H LEU 75 9.431 12.764 20.556 557 HA LEU 75 HA LEU 75 8.872 14.724 18.583 558 HB2 LEU 75 HB2 LEU 75 7.523 12.669 18.948 559 HB3 LEU 75 HB3 LEU 75 6.950 13.341 20.460 560 HG LEU 75 HG LEU 75 6.485 15.064 18.122 561 HD11 LEU 75 HD11 LEU 75 4.623 13.743 17.276 562 HD12 LEU 75 HD12 LEU 75 5.025 12.438 18.392 563 HD13 LEU 75 HD13 LEU 75 6.142 12.866 17.097 564 HD21 LEU 75 HD21 LEU 75 4.713 14.018 20.329 565 HD22 LEU 75 HD22 LEU 75 4.291 15.283 19.174 566 HD23 LEU 75 HD23 LEU 75 5.587 15.550 20.341 567 H LYS 76 H LYS 76 9.289 14.887 21.941 568 HA LYS 76 HA LYS 76 7.667 17.157 22.483 569 HB2 LYS 76 HB2 LYS 76 9.084 17.312 24.571 570 HB3 LYS 76 HB3 LYS 76 8.236 15.792 24.333 571 HG2 LYS 76 HG2 LYS 76 10.296 15.060 25.007 572 HG3 LYS 76 HG3 LYS 76 10.486 15.023 23.259 573 HD2 LYS 76 HD2 LYS 76 11.588 17.225 23.355 574 HD3 LYS 76 HD3 LYS 76 11.433 17.210 25.113 575 HE2 LYS 76 HE2 LYS 76 12.784 15.144 25.182 576 HE3 LYS 76 HE3 LYS 76 12.986 15.242 23.434 577 HZ1 LYS 76 HZ1 LYS 76 13.967 17.197 25.448 578 HZ2 LYS 76 HZ2 LYS 76 14.052 17.432 23.774 579 HZ3 LYS 76 HZ3 LYS 76 14.907 16.155 24.496 580 H ALA 77 H ALA 77 10.496 16.850 20.717 581 HA ALA 77 HA ALA 77 11.467 19.540 21.299 582 HB1 ALA 77 HB1 ALA 77 13.098 17.748 20.944 583 HB2 ALA 77 HB2 ALA 77 13.260 19.020 19.731 584 HB3 ALA 77 HB3 ALA 77 12.467 17.499 19.315 585 H ALA 78 H ALA 78 8.979 18.366 19.596 586 HA ALA 78 HA ALA 78 9.320 19.751 17.094 587 HB1 ALA 78 HB1 ALA 78 8.018 17.713 17.153 588 HB2 ALA 78 HB2 ALA 78 6.985 19.058 16.670 589 HB3 ALA 78 HB3 ALA 78 6.898 18.423 18.314 590 H LYS 79 H LYS 79 7.628 21.277 16.352 591 HA LYS 79 HA LYS 79 6.350 22.962 18.293 592 HB2 LYS 79 HB2 LYS 79 7.669 25.000 17.335 593 HB3 LYS 79 HB3 LYS 79 8.369 24.042 18.631 594 HG2 LYS 79 HG2 LYS 79 9.547 22.735 16.769 595 HG3 LYS 79 HG3 LYS 79 9.100 24.091 15.730 596 HD2 LYS 79 HD2 LYS 79 10.330 25.626 17.057 597 HD3 LYS 79 HD3 LYS 79 10.550 24.435 18.341 598 HE2 LYS 79 HE2 LYS 79 11.705 24.228 15.564 599 HE3 LYS 79 HE3 LYS 79 12.586 24.776 16.988 600 HZ1 LYS 79 HZ1 LYS 79 11.405 22.079 16.570 601 HZ2 LYS 79 HZ2 LYS 79 12.147 22.599 18.007 602 HZ3 LYS 79 HZ3 LYS 79 13.053 22.472 16.582 603 H LYS 80 H LYS 80 5.987 25.231 16.703 604 HA LYS 80 HA LYS 80 3.708 24.360 15.399 605 HB2 LYS 80 HB2 LYS 80 3.538 26.645 14.464 606 HB3 LYS 80 HB3 LYS 80 3.841 26.607 16.192 607 HG2 LYS 80 HG2 LYS 80 6.181 27.139 15.812 608 HG3 LYS 80 HG3 LYS 80 5.910 27.127 14.066 609 HD2 LYS 80 HD2 LYS 80 5.913 29.408 14.946 610 HD3 LYS 80 HD3 LYS 80 4.332 28.977 14.291 611 HE2 LYS 80 HE2 LYS 80 3.545 28.488 16.570 612 HE3 LYS 80 HE3 LYS 80 5.117 28.967 17.203 613 HZ1 LYS 80 HZ1 LYS 80 4.737 31.191 16.261 614 HZ2 LYS 80 HZ2 LYS 80 3.576 30.771 17.423 615 HZ3 LYS 80 HZ3 LYS 80 3.183 30.715 15.776 616 H GLY 81 H GLY 81 6.879 25.020 13.948 617 HA2 GLY 81 HA2 GLY 81 5.702 24.056 11.412 618 HA3 GLY 81 HA3 GLY 81 7.006 25.242 11.485 619 H SER 82 H SER 82 6.361 22.008 12.838 620 HA SER 82 HA SER 82 9.134 21.282 12.556 621 HB2 SER 82 HB2 SER 82 6.696 19.807 13.554 622 HB3 SER 82 HB3 SER 82 8.313 19.104 13.519 623 HG SER 82 HG SER 82 9.011 20.801 14.883 624 H MET 83 H MET 83 6.611 21.362 10.430 625 HA MET 83 HA MET 83 6.003 20.296 8.515 626 HB2 MET 83 HB2 MET 83 8.991 20.143 8.502 627 HB3 MET 83 HB3 MET 83 8.074 19.370 7.215 628 HG2 MET 83 HG2 MET 83 7.290 22.133 7.803 629 HG3 MET 83 HG3 MET 83 8.928 21.937 7.190 630 HE1 MET 83 HE1 MET 83 5.188 20.434 4.908 631 HE2 MET 83 HE2 MET 83 5.021 21.619 6.207 632 HE3 MET 83 HE3 MET 83 5.610 19.990 6.563 633 H VAL 84 H VAL 84 4.769 18.669 9.444 634 HA VAL 84 HA VAL 84 6.017 16.127 10.085 635 HB VAL 84 HB VAL 84 3.091 16.876 10.068 636 HG11 VAL 84 HG11 VAL 84 2.804 14.930 11.512 637 HG12 VAL 84 HG12 VAL 84 4.525 14.569 11.370 638 HG13 VAL 84 HG13 VAL 84 3.484 14.476 9.949 639 HG21 VAL 84 HG21 VAL 84 4.352 18.288 11.608 640 HG22 VAL 84 HG22 VAL 84 5.037 16.852 12.370 641 HG23 VAL 84 HG23 VAL 84 3.305 17.168 12.480 642 H TYR 85 H TYR 85 6.508 14.807 8.462 643 HA TYR 85 HA TYR 85 4.850 14.847 6.039 644 HB2 TYR 85 HB2 TYR 85 7.553 13.555 6.478 645 HB3 TYR 85 HB3 TYR 85 6.702 13.693 4.945 646 HD1 TYR 85 HD1 TYR 85 6.170 16.124 4.155 647 HD2 TYR 85 HD2 TYR 85 9.119 15.154 7.065 648 HE1 TYR 85 HE1 TYR 85 7.293 18.271 3.727 649 HE2 TYR 85 HE2 TYR 85 10.248 17.297 6.645 650 HH TYR 85 HH TYR 85 8.826 19.826 4.910 651 H PHE 86 H PHE 86 3.199 13.463 6.213 652 HA PHE 86 HA PHE 86 3.685 10.832 7.408 653 HB2 PHE 86 HB2 PHE 86 1.698 12.194 8.133 654 HB3 PHE 86 HB3 PHE 86 1.054 12.021 6.506 655 HD1 PHE 86 HD1 PHE 86 2.751 9.530 8.686 656 HD2 PHE 86 HD2 PHE 86 -0.834 10.705 6.716 657 HE1 PHE 86 HE1 PHE 86 1.697 7.410 9.348 658 HE2 PHE 86 HE2 PHE 86 -1.891 8.583 7.372 659 HZ PHE 86 HZ PHE 86 -0.626 6.931 8.690 660 H LYS 87 H LYS 87 4.614 9.556 5.960 661 HA LYS 87 HA LYS 87 3.949 9.699 3.144 662 HB2 LYS 87 HB2 LYS 87 6.256 9.176 4.298 663 HB3 LYS 87 HB3 LYS 87 5.630 7.535 4.359 664 HG2 LYS 87 HG2 LYS 87 7.014 7.830 2.409 665 HG3 LYS 87 HG3 LYS 87 5.335 7.579 1.920 666 HD2 LYS 87 HD2 LYS 87 5.036 9.875 1.434 667 HD3 LYS 87 HD3 LYS 87 6.539 10.313 2.248 668 HE2 LYS 87 HE2 LYS 87 6.856 10.406 -0.140 669 HE3 LYS 87 HE3 LYS 87 7.798 9.084 0.537 670 HZ1 LYS 87 HZ1 LYS 87 6.801 8.235 -1.385 671 HZ2 LYS 87 HZ2 LYS 87 5.299 8.930 -1.039 672 HZ3 LYS 87 HZ3 LYS 87 5.860 7.623 -0.121 673 H VAL 88 H VAL 88 1.816 9.018 2.970 674 HA VAL 88 HA VAL 88 1.220 6.370 4.109 675 HB VAL 88 HB VAL 88 0.048 8.081 5.334 676 HG11 VAL 88 HG11 VAL 88 -0.002 9.861 3.698 677 HG12 VAL 88 HG12 VAL 88 -1.638 9.522 4.259 678 HG13 VAL 88 HG13 VAL 88 -1.109 8.936 2.683 679 HG21 VAL 88 HG21 VAL 88 -2.259 7.306 5.029 680 HG22 VAL 88 HG22 VAL 88 -1.094 5.982 5.035 681 HG23 VAL 88 HG23 VAL 88 -1.785 6.543 3.512 682 H GLY 89 H GLY 89 0.655 4.859 2.759 683 HA2 GLY 89 HA2 GLY 89 -0.150 3.783 0.885 684 HA3 GLY 89 HA3 GLY 89 -0.963 5.274 0.443 685 H ASN 90 H ASN 90 0.932 7.033 -0.009 686 HA ASN 90 HA ASN 90 3.004 6.111 -1.709 687 HB2 ASN 90 HB2 ASN 90 0.795 5.554 -2.932 688 HB3 ASN 90 HB3 ASN 90 0.674 7.288 -3.175 689 HD21 ASN 90 HD21 ASN 90 0.968 5.068 -5.026 690 HD22 ASN 90 HD22 ASN 90 2.375 5.427 -5.984 691 H GLU 91 H GLU 91 0.738 8.585 -0.829 692 HA GLU 91 HA GLU 91 2.341 10.711 -1.988 693 HB2 GLU 91 HB2 GLU 91 -0.273 10.833 -0.473 694 HB3 GLU 91 HB3 GLU 91 0.486 12.171 -1.321 695 HG2 GLU 91 HG2 GLU 91 0.227 10.968 -3.439 696 HG3 GLU 91 HG3 GLU 91 -0.562 9.645 -2.578 697 H THR 92 H THR 92 3.076 12.517 -0.806 698 HA THR 92 HA THR 92 3.777 11.903 1.970 699 HB THR 92 HB THR 92 4.782 14.205 0.288 700 HG1 THR 92 HG1 THR 92 6.686 12.708 0.121 701 HG21 THR 92 HG21 THR 92 5.932 12.828 2.716 702 HG22 THR 92 HG22 THR 92 5.126 14.396 2.718 703 HG23 THR 92 HG23 THR 92 6.651 14.190 1.858 704 H ARG 93 H ARG 93 2.083 12.479 3.247 705 HA ARG 93 HA ARG 93 0.600 14.924 2.776 706 HB2 ARG 93 HB2 ARG 93 0.487 12.945 5.062 707 HB3 ARG 93 HB3 ARG 93 -0.611 14.297 4.849 708 HG2 ARG 93 HG2 ARG 93 -0.307 12.035 2.892 709 HG3 ARG 93 HG3 ARG 93 -1.535 12.109 4.156 710 HD2 ARG 93 HD2 ARG 93 -2.349 14.233 3.170 711 HD3 ARG 93 HD3 ARG 93 -1.183 14.031 1.861 712 HE ARG 93 HE ARG 93 -3.392 12.139 2.404 713 HH11 ARG 93 HH11 ARG 93 -1.358 13.929 0.189 714 HH12 ARG 93 HH12 ARG 93 -2.005 13.166 -1.233 715 HH21 ARG 93 HH21 ARG 93 -4.269 11.152 0.555 716 HH22 ARG 93 HH22 ARG 93 -3.674 11.587 -1.022 717 H LYS 94 H LYS 94 1.516 16.828 3.336 718 HA LYS 94 HA LYS 94 3.297 16.876 5.643 719 HB2 LYS 94 HB2 LYS 94 3.941 19.119 4.982 720 HB3 LYS 94 HB3 LYS 94 4.171 18.007 3.658 721 HG2 LYS 94 HG2 LYS 94 1.799 19.834 3.928 722 HG3 LYS 94 HG3 LYS 94 3.264 20.249 3.044 723 HD2 LYS 94 HD2 LYS 94 2.893 18.323 1.560 724 HD3 LYS 94 HD3 LYS 94 1.408 17.947 2.439 725 HE2 LYS 94 HE2 LYS 94 0.551 20.197 1.848 726 HE3 LYS 94 HE3 LYS 94 1.999 20.456 0.878 727 HZ1 LYS 94 HZ1 LYS 94 0.007 18.299 0.433 728 HZ2 LYS 94 HZ2 LYS 94 1.373 18.606 -0.524 729 HZ3 LYS 94 HZ3 LYS 94 0.110 19.736 -0.457 730 H TYR 95 H TYR 95 2.749 17.628 7.523 731 HA TYR 95 HA TYR 95 0.300 19.255 7.758 732 HB2 TYR 95 HB2 TYR 95 1.381 17.275 9.776 733 HB3 TYR 95 HB3 TYR 95 -0.087 18.223 9.938 734 HD1 TYR 95 HD1 TYR 95 1.461 15.329 8.329 735 HD2 TYR 95 HD2 TYR 95 -2.098 17.619 8.725 736 HE1 TYR 95 HE1 TYR 95 0.178 13.502 7.306 737 HE2 TYR 95 HE2 TYR 95 -3.391 15.797 7.702 738 HH TYR 95 HH TYR 95 -3.106 13.885 6.331 739 H LYS 96 H LYS 96 0.351 20.910 9.353 740 HA LYS 96 HA LYS 96 3.053 21.526 10.366 741 HB2 LYS 96 HB2 LYS 96 1.762 23.075 8.607 742 HB3 LYS 96 HB3 LYS 96 1.033 23.696 10.084 743 HG2 LYS 96 HG2 LYS 96 2.908 25.060 9.544 744 HG3 LYS 96 HG3 LYS 96 3.322 24.095 10.966 745 HD2 LYS 96 HD2 LYS 96 5.228 23.856 9.675 746 HD3 LYS 96 HD3 LYS 96 4.294 22.435 9.207 747 HE2 LYS 96 HE2 LYS 96 5.257 23.525 7.263 748 HE3 LYS 96 HE3 LYS 96 3.499 23.592 7.224 749 HZ1 LYS 96 HZ1 LYS 96 5.216 25.816 8.183 750 HZ2 LYS 96 HZ2 LYS 96 3.545 25.867 7.888 751 HZ3 LYS 96 HZ3 LYS 96 4.630 25.694 6.598 752 H MET 97 H MET 97 3.243 22.087 12.529 753 HA MET 97 HA MET 97 1.064 21.112 14.171 754 HB2 MET 97 HB2 MET 97 3.852 22.085 14.843 755 HB3 MET 97 HB3 MET 97 2.702 21.544 16.053 756 HG2 MET 97 HG2 MET 97 3.721 19.856 13.786 757 HG3 MET 97 HG3 MET 97 4.379 19.851 15.421 758 HE1 MET 97 HE1 MET 97 4.071 17.424 16.029 759 HE2 MET 97 HE2 MET 97 3.641 17.123 14.346 760 HE3 MET 97 HE3 MET 97 2.646 16.462 15.641 761 H THR 98 H THR 98 -0.301 22.941 13.392 762 HA THR 98 HA THR 98 0.380 25.587 14.279 763 HB THR 98 HB THR 98 -0.784 25.528 12.236 764 HG1 THR 98 HG1 THR 98 -2.175 27.061 12.713 765 HG21 THR 98 HG21 THR 98 -2.888 23.849 13.594 766 HG22 THR 98 HG22 THR 98 -1.751 23.314 12.354 767 HG23 THR 98 HG23 THR 98 -3.006 24.488 11.956 768 H SER 99 H SER 99 -1.830 23.049 15.366 769 HA SER 99 HA SER 99 -2.601 24.785 17.613 770 HB2 SER 99 HB2 SER 99 -4.042 22.372 16.501 771 HB3 SER 99 HB3 SER 99 -4.613 23.400 17.815 772 HG SER 99 HG SER 99 -4.301 25.142 16.087 773 H ILE 100 H ILE 100 -1.260 24.378 19.252 774 HA ILE 100 HA ILE 100 -0.696 21.564 19.937 775 HB ILE 100 HB ILE 100 1.167 23.931 20.189 776 HG12 ILE 100 HG12 ILE 100 1.421 21.400 18.549 777 HG13 ILE 100 HG13 ILE 100 0.993 22.984 17.911 778 HG21 ILE 100 HG21 ILE 100 1.599 21.071 21.053 779 HG22 ILE 100 HG22 ILE 100 1.369 22.456 22.122 780 HG23 ILE 100 HG23 ILE 100 2.802 22.360 21.098 781 HD11 ILE 100 HD11 ILE 100 3.173 23.845 18.612 782 HD12 ILE 100 HD12 ILE 100 3.323 22.490 17.493 783 HD13 ILE 100 HD13 ILE 100 3.599 22.243 19.217 784 H ARG 101 H ARG 101 -1.414 20.991 21.874 785 HA ARG 101 HA ARG 101 -0.907 22.658 24.162 786 HB2 ARG 101 HB2 ARG 101 -3.169 22.809 25.001 787 HB3 ARG 101 HB3 ARG 101 -3.120 23.538 23.405 788 HG2 ARG 101 HG2 ARG 101 -4.153 21.598 22.429 789 HG3 ARG 101 HG3 ARG 101 -4.082 20.744 23.973 790 HD2 ARG 101 HD2 ARG 101 -5.681 23.227 23.352 791 HD3 ARG 101 HD3 ARG 101 -6.313 21.603 23.609 792 HE ARG 101 HE ARG 101 -4.801 22.840 25.787 793 HH11 ARG 101 HH11 ARG 101 -7.927 21.918 24.482 794 HH12 ARG 101 HH12 ARG 101 -8.732 22.039 26.015 795 HH21 ARG 101 HH21 ARG 101 -5.866 22.997 27.782 796 HH22 ARG 101 HH22 ARG 101 -7.571 22.653 27.884 797 H ASP 102 H ASP 102 -2.115 21.337 26.153 798 HA ASP 102 HA ASP 102 -1.972 18.476 25.531 799 HB2 ASP 102 HB2 ASP 102 -0.761 18.032 27.650 800 HB3 ASP 102 HB3 ASP 102 0.199 18.945 26.495 801 H VAL 103 H VAL 103 -3.277 17.177 26.765 802 HA VAL 103 HA VAL 103 -5.161 18.605 28.515 803 HB VAL 103 HB VAL 103 -6.986 17.197 27.634 804 HG11 VAL 103 HG11 VAL 103 -7.225 18.345 25.477 805 HG12 VAL 103 HG12 VAL 103 -5.527 18.813 25.552 806 HG13 VAL 103 HG13 VAL 103 -6.664 19.431 26.749 807 HG21 VAL 103 HG21 VAL 103 -4.947 16.313 25.591 808 HG22 VAL 103 HG22 VAL 103 -6.672 15.953 25.545 809 HG23 VAL 103 HG23 VAL 103 -5.670 15.302 26.841 810 H LYS 104 H LYS 104 -6.712 16.482 29.250 811 HA LYS 104 HA LYS 104 -4.892 14.584 30.514 812 HB2 LYS 104 HB2 LYS 104 -6.135 14.925 32.687 813 HB3 LYS 104 HB3 LYS 104 -5.066 16.235 32.219 814 HG2 LYS 104 HG2 LYS 104 -8.021 16.279 31.677 815 HG3 LYS 104 HG3 LYS 104 -7.311 16.882 33.174 816 HD2 LYS 104 HD2 LYS 104 -5.960 18.469 31.893 817 HD3 LYS 104 HD3 LYS 104 -6.657 17.856 30.394 818 HE2 LYS 104 HE2 LYS 104 -8.911 18.506 31.316 819 HE3 LYS 104 HE3 LYS 104 -8.053 19.329 32.618 820 HZ1 LYS 104 HZ1 LYS 104 -6.850 20.563 30.777 821 HZ2 LYS 104 HZ2 LYS 104 -8.481 20.959 31.026 822 HZ3 LYS 104 HZ3 LYS 104 -8.046 19.961 29.726 823 HA PRO 105 HA PRO 105 -7.993 11.513 29.737 824 HB2 PRO 105 HB2 PRO 105 -7.910 10.833 32.635 825 HB3 PRO 105 HB3 PRO 105 -7.698 9.789 31.225 826 HG2 PRO 105 HG2 PRO 105 -5.605 10.524 32.695 827 HG3 PRO 105 HG3 PRO 105 -5.484 10.414 30.929 828 HD2 PRO 105 HD2 PRO 105 -5.721 12.829 32.668 829 HD3 PRO 105 HD3 PRO 105 -4.785 12.597 31.177 830 H THR 106 H THR 106 -8.398 13.828 32.283 831 HA THR 106 HA THR 106 -11.249 13.273 32.554 832 HB THR 106 HB THR 106 -11.120 15.232 34.193 833 HG1 THR 106 HG1 THR 106 -9.232 16.156 34.499 834 HG21 THR 106 HG21 THR 106 -10.120 13.852 35.953 835 HG22 THR 106 HG22 THR 106 -9.436 12.783 34.730 836 HG23 THR 106 HG23 THR 106 -11.184 12.898 34.922 837 H ASP 107 H ASP 107 -9.553 14.703 30.274 838 HA ASP 107 HA ASP 107 -11.402 16.967 29.903 839 HB2 ASP 107 HB2 ASP 107 -8.862 17.335 29.849 840 HB3 ASP 107 HB3 ASP 107 -8.872 16.437 28.336 841 H VAL 108 H VAL 108 -13.162 16.024 28.966 842 HA VAL 108 HA VAL 108 -12.682 14.238 26.678 843 HB VAL 108 HB VAL 108 -15.005 13.479 26.958 844 HG11 VAL 108 HG11 VAL 108 -14.687 12.223 29.022 845 HG12 VAL 108 HG12 VAL 108 -13.402 13.330 29.508 846 HG13 VAL 108 HG13 VAL 108 -13.187 12.297 28.094 847 HG21 VAL 108 HG21 VAL 108 -15.955 15.525 27.907 848 HG22 VAL 108 HG22 VAL 108 -15.043 15.260 29.393 849 HG23 VAL 108 HG23 VAL 108 -16.308 14.126 28.921 850 H GLU 109 H GLU 109 -12.745 17.283 26.883 851 HA GLU 109 HA GLU 109 -14.998 17.810 25.081 852 HB2 GLU 109 HB2 GLU 109 -13.318 19.757 26.663 853 HB3 GLU 109 HB3 GLU 109 -14.738 20.155 25.705 854 HG2 GLU 109 HG2 GLU 109 -16.112 18.760 27.165 855 HG3 GLU 109 HG3 GLU 109 -14.684 18.381 28.128 856 H VAL 110 H VAL 110 -11.806 17.125 24.911 857 HA VAL 110 HA VAL 110 -11.249 19.017 22.744 858 HB VAL 110 HB VAL 110 -8.930 18.038 22.801 859 HG11 VAL 110 HG11 VAL 110 -8.298 19.250 24.837 860 HG12 VAL 110 HG12 VAL 110 -9.992 19.296 25.325 861 HG13 VAL 110 HG13 VAL 110 -9.469 20.147 23.871 862 HG21 VAL 110 HG21 VAL 110 -9.969 16.720 25.312 863 HG22 VAL 110 HG22 VAL 110 -8.275 16.801 24.826 864 HG23 VAL 110 HG23 VAL 110 -9.432 15.896 23.848 865 H LEU 111 H LEU 111 -11.457 15.560 23.364 866 HA LEU 111 HA LEU 111 -11.285 15.021 20.530 867 HB2 LEU 111 HB2 LEU 111 -11.439 12.666 21.071 868 HB3 LEU 111 HB3 LEU 111 -10.177 13.436 21.990 869 HG LEU 111 HG LEU 111 -10.974 12.120 23.618 870 HD11 LEU 111 HD11 LEU 111 -12.717 13.098 25.052 871 HD12 LEU 111 HD12 LEU 111 -12.987 14.320 23.809 872 HD13 LEU 111 HD13 LEU 111 -11.419 14.205 24.611 873 HD21 LEU 111 HD21 LEU 111 -13.254 11.217 23.755 874 HD22 LEU 111 HD22 LEU 111 -12.461 10.873 22.218 875 HD23 LEU 111 HD23 LEU 111 -13.679 12.145 22.317 876 H ASP 112 H ASP 112 -12.953 16.029 19.664 877 HA ASP 112 HA ASP 112 -15.628 15.027 20.107 878 HB2 ASP 112 HB2 ASP 112 -15.095 16.791 21.913 879 HB3 ASP 112 HB3 ASP 112 -15.111 17.964 20.603 880 H GLU 113 H GLU 113 -16.986 17.185 18.847 881 HA GLU 113 HA GLU 113 -16.157 16.683 16.139 882 HB2 GLU 113 HB2 GLU 113 -18.145 18.093 15.540 883 HB3 GLU 113 HB3 GLU 113 -18.501 16.675 16.511 884 HG2 GLU 113 HG2 GLU 113 -18.845 17.982 18.455 885 HG3 GLU 113 HG3 GLU 113 -18.173 19.419 17.683 886 H GLN 114 H GLN 114 -14.052 17.721 16.514 887 HA GLN 114 HA GLN 114 -13.989 20.620 16.553 888 HB2 GLN 114 HB2 GLN 114 -11.785 18.570 16.269 889 HB3 GLN 114 HB3 GLN 114 -11.536 20.301 16.452 890 HG2 GLN 114 HG2 GLN 114 -12.948 18.578 18.466 891 HG3 GLN 114 HG3 GLN 114 -11.232 18.979 18.537 892 HE21 GLN 114 HE21 GLN 114 -13.376 19.593 20.413 893 HE22 GLN 114 HE22 GLN 114 -13.407 21.315 20.569 894 H LYS 115 H LYS 115 -15.438 19.902 14.440 895 HA LYS 115 HA LYS 115 -13.946 19.369 12.072 896 HB2 LYS 115 HB2 LYS 115 -15.967 19.413 10.910 897 HB3 LYS 115 HB3 LYS 115 -16.438 18.870 12.511 898 HG2 LYS 115 HG2 LYS 115 -16.631 21.746 11.660 899 HG3 LYS 115 HG3 LYS 115 -17.925 20.582 11.392 900 HD2 LYS 115 HD2 LYS 115 -16.742 21.226 14.090 901 HD3 LYS 115 HD3 LYS 115 -18.209 21.962 13.442 902 HE2 LYS 115 HE2 LYS 115 -17.762 19.038 14.014 903 HE3 LYS 115 HE3 LYS 115 -18.772 20.145 14.938 904 HZ1 LYS 115 HZ1 LYS 115 -20.137 18.827 13.502 905 HZ2 LYS 115 HZ2 LYS 115 -19.225 19.253 12.139 906 HZ3 LYS 115 HZ3 LYS 115 -20.158 20.427 12.938 907 H GLY 116 H GLY 116 -14.282 20.862 10.108 908 HA2 GLY 116 HA2 GLY 116 -14.485 23.150 9.336 909 HA3 GLY 116 HA3 GLY 116 -13.903 23.678 10.911 910 H LYS 117 H LYS 117 -12.021 21.232 10.594 911 HA LYS 117 HA LYS 117 -9.863 22.778 9.394 912 HB2 LYS 117 HB2 LYS 117 -9.733 20.110 10.808 913 HB3 LYS 117 HB3 LYS 117 -8.376 21.149 10.401 914 HG2 LYS 117 HG2 LYS 117 -10.570 21.837 12.338 915 HG3 LYS 117 HG3 LYS 117 -8.966 21.243 12.772 916 HD2 LYS 117 HD2 LYS 117 -7.942 23.207 11.787 917 HD3 LYS 117 HD3 LYS 117 -9.524 23.789 11.254 918 HE2 LYS 117 HE2 LYS 117 -10.252 23.882 13.611 919 HE3 LYS 117 HE3 LYS 117 -8.638 23.376 14.108 920 HZ1 LYS 117 HZ1 LYS 117 -9.207 25.842 12.552 921 HZ2 LYS 117 HZ2 LYS 117 -7.720 25.380 13.226 922 HZ3 LYS 117 HZ3 LYS 117 -9.017 25.798 14.237 923 H ASP 118 H ASP 118 -8.226 21.419 8.163 924 HA ASP 118 HA ASP 118 -9.545 19.747 6.178 925 HB2 ASP 118 HB2 ASP 118 -7.720 21.526 5.688 926 HB3 ASP 118 HB3 ASP 118 -6.586 20.343 6.331 927 H LYS 119 H LYS 119 -7.253 17.988 5.759 928 HA LYS 119 HA LYS 119 -7.802 15.975 7.669 929 HB2 LYS 119 HB2 LYS 119 -5.808 16.335 5.488 930 HB3 LYS 119 HB3 LYS 119 -5.436 15.139 6.720 931 HG2 LYS 119 HG2 LYS 119 -6.534 14.096 4.841 932 HG3 LYS 119 HG3 LYS 119 -7.566 14.017 6.267 933 HD2 LYS 119 HD2 LYS 119 -9.129 14.718 4.783 934 HD3 LYS 119 HD3 LYS 119 -8.475 16.298 5.217 935 HE2 LYS 119 HE2 LYS 119 -7.655 14.640 2.831 936 HE3 LYS 119 HE3 LYS 119 -8.719 16.042 2.789 937 HZ1 LYS 119 HZ1 LYS 119 -6.491 16.639 2.139 938 HZ2 LYS 119 HZ2 LYS 119 -5.856 16.050 3.587 939 HZ3 LYS 119 HZ3 LYS 119 -6.875 17.403 3.598 940 H GLN 120 H GLN 120 -7.349 16.179 9.751 941 HA GLN 120 HA GLN 120 -4.904 17.622 10.499 942 HB2 GLN 120 HB2 GLN 120 -5.939 17.881 12.729 943 HB3 GLN 120 HB3 GLN 120 -6.899 18.607 11.450 944 HG2 GLN 120 HG2 GLN 120 -8.455 16.793 11.500 945 HG3 GLN 120 HG3 GLN 120 -7.439 15.894 12.629 946 HE21 GLN 120 HE21 GLN 120 -7.368 16.520 14.786 947 HE22 GLN 120 HE22 GLN 120 -8.540 17.590 15.469 948 H LEU 121 H LEU 121 -3.286 16.617 11.437 949 HA LEU 121 HA LEU 121 -3.604 13.797 12.138 950 HB2 LEU 121 HB2 LEU 121 -1.740 14.594 10.625 951 HB3 LEU 121 HB3 LEU 121 -1.066 15.430 12.013 952 HG LEU 121 HG LEU 121 -0.846 13.259 13.182 953 HD11 LEU 121 HD11 LEU 121 -2.651 12.078 12.020 954 HD12 LEU 121 HD12 LEU 121 -1.129 11.191 11.925 955 HD13 LEU 121 HD13 LEU 121 -1.705 12.104 10.531 956 HD21 LEU 121 HD21 LEU 121 1.041 14.188 11.945 957 HD22 LEU 121 HD22 LEU 121 0.479 13.393 10.475 958 HD23 LEU 121 HD23 LEU 121 1.026 12.427 11.845 959 H THR 122 H THR 122 -4.356 13.596 14.126 960 HA THR 122 HA THR 122 -3.657 15.528 16.179 961 HB THR 122 HB THR 122 -5.443 13.101 16.429 962 HG1 THR 122 HG1 THR 122 -6.985 14.226 15.492 963 HG21 THR 122 HG21 THR 122 -6.444 14.352 18.278 964 HG22 THR 122 HG22 THR 122 -5.298 15.666 18.012 965 HG23 THR 122 HG23 THR 122 -4.720 14.089 18.552 966 H LEU 123 H LEU 123 -1.559 15.145 16.800 967 HA LEU 123 HA LEU 123 -0.681 12.461 17.439 968 HB2 LEU 123 HB2 LEU 123 0.642 15.152 17.752 969 HB3 LEU 123 HB3 LEU 123 1.387 13.655 18.264 970 HG LEU 123 HG LEU 123 2.347 14.193 16.187 971 HD11 LEU 123 HD11 LEU 123 1.701 12.351 14.743 972 HD12 LEU 123 HD12 LEU 123 0.203 12.149 15.652 973 HD13 LEU 123 HD13 LEU 123 1.756 11.843 16.432 974 HD21 LEU 123 HD21 LEU 123 1.054 14.644 14.154 975 HD22 LEU 123 HD22 LEU 123 0.765 15.847 15.409 976 HD23 LEU 123 HD23 LEU 123 -0.434 14.592 15.099 977 H ILE 124 H ILE 124 -1.627 11.607 19.181 978 HA ILE 124 HA ILE 124 -2.027 13.273 21.556 979 HB ILE 124 HB ILE 124 -2.942 10.426 21.120 980 HG12 ILE 124 HG12 ILE 124 -4.543 12.969 20.750 981 HG13 ILE 124 HG13 ILE 124 -3.865 12.027 19.424 982 HG21 ILE 124 HG21 ILE 124 -4.499 10.919 22.941 983 HG22 ILE 124 HG22 ILE 124 -3.827 12.543 23.082 984 HG23 ILE 124 HG23 ILE 124 -2.826 11.139 23.456 985 HD11 ILE 124 HD11 ILE 124 -5.238 10.125 20.067 986 HD12 ILE 124 HD12 ILE 124 -6.223 11.553 19.742 987 HD13 ILE 124 HD13 ILE 124 -5.909 11.057 21.407 988 H THR 125 H THR 125 0.036 13.417 22.370 989 HA THR 125 HA THR 125 1.564 10.950 22.770 990 HB THR 125 HB THR 125 2.493 13.778 23.292 991 HG1 THR 125 HG1 THR 125 1.731 13.034 21.012 992 HG21 THR 125 HG21 THR 125 3.983 11.213 22.710 993 HG22 THR 125 HG22 THR 125 3.863 12.006 24.282 994 HG23 THR 125 HG23 THR 125 4.720 12.795 22.958 995 H CYS 126 H CYS 126 0.893 9.959 24.583 996 HA CYS 126 HA CYS 126 0.053 11.497 26.880 997 HB2 CYS 126 HB2 CYS 126 0.273 8.496 26.597 998 HB3 CYS 126 HB3 CYS 126 -0.614 9.378 27.836 999 H ASP 127 H ASP 127 1.408 12.219 28.304 1000 HA ASP 127 HA ASP 127 3.903 10.748 28.846 1001 HB2 ASP 127 HB2 ASP 127 4.430 12.802 27.676 1002 HB3 ASP 127 HB3 ASP 127 3.396 13.735 28.749 1003 H ASP 128 H ASP 128 4.725 10.976 31.001 1004 HA ASP 128 HA ASP 128 4.669 11.090 33.256 1005 HB2 ASP 128 HB2 ASP 128 3.662 13.427 32.719 1006 HB3 ASP 128 HB3 ASP 128 2.136 12.698 33.212 1007 H TYR 129 H TYR 129 4.301 9.053 33.804 1008 HA TYR 129 HA TYR 129 1.661 7.881 33.523 1009 HB2 TYR 129 HB2 TYR 129 3.743 6.636 32.940 1010 HB3 TYR 129 HB3 TYR 129 4.205 6.677 34.636 1011 HD1 TYR 129 HD1 TYR 129 3.198 5.185 36.230 1012 HD2 TYR 129 HD2 TYR 129 1.830 5.284 32.206 1013 HE1 TYR 129 HE1 TYR 129 1.958 3.096 36.607 1014 HE2 TYR 129 HE2 TYR 129 0.587 3.197 32.570 1015 HH TYR 129 HH TYR 129 0.676 1.254 34.049 1016 H ASN 130 H ASN 130 0.216 7.682 35.113 1017 HA ASN 130 HA ASN 130 1.024 8.437 37.830 1018 HB2 ASN 130 HB2 ASN 130 -0.961 9.566 36.834 1019 HB3 ASN 130 HB3 ASN 130 -1.760 8.003 36.709 1020 HD21 ASN 130 HD21 ASN 130 -2.433 10.483 38.206 1021 HD22 ASN 130 HD22 ASN 130 -2.641 9.970 39.852 1022 H GLU 131 H GLU 131 1.867 6.740 38.836 1023 HA GLU 131 HA GLU 131 1.288 4.042 38.246 1024 HB2 GLU 131 HB2 GLU 131 2.657 5.231 40.659 1025 HB3 GLU 131 HB3 GLU 131 2.708 3.538 40.192 1026 HG2 GLU 131 HG2 GLU 131 3.861 4.146 38.125 1027 HG3 GLU 131 HG3 GLU 131 3.812 5.843 38.606 1028 H LYS 132 H LYS 132 -0.359 6.265 40.251 1029 HA LYS 132 HA LYS 132 -1.143 4.502 42.318 1030 HB2 LYS 132 HB2 LYS 132 -2.247 7.137 41.390 1031 HB3 LYS 132 HB3 LYS 132 -2.749 6.302 42.844 1032 HG2 LYS 132 HG2 LYS 132 -0.203 6.319 43.397 1033 HG3 LYS 132 HG3 LYS 132 -0.177 7.651 42.240 1034 HD2 LYS 132 HD2 LYS 132 -1.914 8.792 43.545 1035 HD3 LYS 132 HD3 LYS 132 -1.880 7.464 44.709 1036 HE2 LYS 132 HE2 LYS 132 0.433 9.274 44.026 1037 HE3 LYS 132 HE3 LYS 132 -0.554 9.371 45.483 1038 HZ1 LYS 132 HZ1 LYS 132 1.528 8.207 45.885 1039 HZ2 LYS 132 HZ2 LYS 132 1.144 7.053 44.702 1040 HZ3 LYS 132 HZ3 LYS 132 0.206 7.168 46.115 1041 H THR 133 H THR 133 -2.421 5.245 39.168 1042 HA THR 133 HA THR 133 -4.524 3.267 39.655 1043 HB THR 133 HB THR 133 -5.641 5.388 39.803 1044 HG1 THR 133 HG1 THR 133 -6.178 3.551 37.900 1045 HG21 THR 133 HG21 THR 133 -5.644 6.995 37.968 1046 HG22 THR 133 HG22 THR 133 -4.507 5.982 37.077 1047 HG23 THR 133 HG23 THR 133 -4.012 6.742 38.590 1048 H GLY 134 H GLY 134 -2.202 4.661 37.469 1049 HA2 GLY 134 HA2 GLY 134 -1.117 3.254 35.892 1050 HA3 GLY 134 HA3 GLY 134 -2.583 2.299 35.774 1051 H VAL 135 H VAL 135 -2.751 5.779 35.602 1052 HA VAL 135 HA VAL 135 -3.358 5.551 32.751 1053 HB VAL 135 HB VAL 135 -4.592 7.633 33.012 1054 HG11 VAL 135 HG11 VAL 135 -6.446 6.790 34.397 1055 HG12 VAL 135 HG12 VAL 135 -5.383 5.514 34.992 1056 HG13 VAL 135 HG13 VAL 135 -5.817 5.576 33.284 1057 HG21 VAL 135 HG21 VAL 135 -5.026 8.571 35.245 1058 HG22 VAL 135 HG22 VAL 135 -3.329 8.678 34.778 1059 HG23 VAL 135 HG23 VAL 135 -3.853 7.440 35.917 1060 H TRP 136 H TRP 136 -2.938 7.703 31.581 1061 HA TRP 136 HA TRP 136 -0.316 8.768 32.379 1062 HB2 TRP 136 HB2 TRP 136 -1.586 8.560 29.639 1063 HB3 TRP 136 HB3 TRP 136 -0.088 9.424 29.967 1064 HD1 TRP 136 HD1 TRP 136 -1.506 5.831 30.022 1065 HE1 TRP 136 HE1 TRP 136 0.461 4.191 29.744 1066 HE3 TRP 136 HE3 TRP 136 2.358 9.168 30.184 1067 HZ2 TRP 136 HZ2 TRP 136 3.282 4.303 29.606 1068 HZ3 TRP 136 HZ3 TRP 136 4.657 8.328 29.973 1069 HH2 TRP 136 HH2 TRP 136 5.111 5.944 29.691 1070 H GLU 137 H GLU 137 -0.332 10.766 33.124 1071 HA GLU 137 HA GLU 137 -2.827 12.104 33.406 1072 HB2 GLU 137 HB2 GLU 137 -0.030 12.972 34.145 1073 HB3 GLU 137 HB3 GLU 137 -1.505 13.781 34.658 1074 HG2 GLU 137 HG2 GLU 137 -0.859 10.912 35.283 1075 HG3 GLU 137 HG3 GLU 137 -0.494 12.264 36.355 1076 H LYS 138 H LYS 138 0.174 12.947 31.670 1077 HA LYS 138 HA LYS 138 -1.179 15.325 30.642 1078 HB2 LYS 138 HB2 LYS 138 1.705 14.499 30.364 1079 HB3 LYS 138 HB3 LYS 138 1.022 16.030 29.854 1080 HG2 LYS 138 HG2 LYS 138 1.120 15.068 32.705 1081 HG3 LYS 138 HG3 LYS 138 2.285 16.166 31.971 1082 HD2 LYS 138 HD2 LYS 138 0.834 17.610 33.062 1083 HD3 LYS 138 HD3 LYS 138 0.209 17.612 31.413 1084 HE2 LYS 138 HE2 LYS 138 -1.497 15.995 32.046 1085 HE3 LYS 138 HE3 LYS 138 -0.850 15.932 33.682 1086 HZ1 LYS 138 HZ1 LYS 138 -1.384 18.296 33.916 1087 HZ2 LYS 138 HZ2 LYS 138 -2.760 17.353 33.611 1088 HZ3 LYS 138 HZ3 LYS 138 -2.089 18.293 32.369 1089 H ARG 139 H ARG 139 -2.463 14.709 28.995 1090 HA ARG 139 HA ARG 139 -1.320 13.063 26.873 1091 HB2 ARG 139 HB2 ARG 139 -4.099 14.248 27.087 1092 HB3 ARG 139 HB3 ARG 139 -3.552 13.131 25.846 1093 HG2 ARG 139 HG2 ARG 139 -3.124 11.460 27.672 1094 HG3 ARG 139 HG3 ARG 139 -3.927 12.574 28.780 1095 HD2 ARG 139 HD2 ARG 139 -5.124 11.265 26.335 1096 HD3 ARG 139 HD3 ARG 139 -5.506 10.908 28.018 1097 HE ARG 139 HE ARG 139 -5.997 13.625 27.544 1098 HH11 ARG 139 HH11 ARG 139 -7.314 10.467 26.708 1099 HH12 ARG 139 HH12 ARG 139 -8.913 11.084 26.430 1100 HH21 ARG 139 HH21 ARG 139 -8.104 14.416 27.182 1101 HH22 ARG 139 HH22 ARG 139 -9.364 13.330 26.707 1102 H LYS 140 H LYS 140 0.272 14.558 26.225 1103 HA LYS 140 HA LYS 140 -0.299 17.200 25.382 1104 HB2 LYS 140 HB2 LYS 140 1.990 15.537 25.547 1105 HB3 LYS 140 HB3 LYS 140 1.867 16.055 23.874 1106 HG2 LYS 140 HG2 LYS 140 2.030 17.826 26.302 1107 HG3 LYS 140 HG3 LYS 140 3.264 17.580 25.073 1108 HD2 LYS 140 HD2 LYS 140 1.677 18.524 23.394 1109 HD3 LYS 140 HD3 LYS 140 0.598 18.927 24.730 1110 HE2 LYS 140 HE2 LYS 140 3.419 19.931 24.365 1111 HE3 LYS 140 HE3 LYS 140 1.950 20.850 24.053 1112 HZ1 LYS 140 HZ1 LYS 140 1.387 20.678 26.406 1113 HZ2 LYS 140 HZ2 LYS 140 2.905 21.408 26.197 1114 HZ3 LYS 140 HZ3 LYS 140 2.803 19.796 26.700 1115 H ILE 141 H ILE 141 -1.091 17.944 23.484 1116 HA ILE 141 HA ILE 141 -1.653 15.915 21.443 1117 HB ILE 141 HB ILE 141 -3.694 16.224 22.729 1118 HG12 ILE 141 HG12 ILE 141 -3.851 17.501 19.991 1119 HG13 ILE 141 HG13 ILE 141 -3.881 15.772 20.328 1120 HG21 ILE 141 HG21 ILE 141 -3.349 18.434 23.596 1121 HG22 ILE 141 HG22 ILE 141 -4.874 18.389 22.708 1122 HG23 ILE 141 HG23 ILE 141 -3.443 19.118 21.974 1123 HD11 ILE 141 HD11 ILE 141 -5.952 17.764 21.223 1124 HD12 ILE 141 HD12 ILE 141 -5.990 16.023 21.504 1125 HD13 ILE 141 HD13 ILE 141 -6.105 16.655 19.861 1126 H PHE 142 H PHE 142 -0.700 16.428 19.700 1127 HA PHE 142 HA PHE 142 -0.379 19.254 18.968 1128 HB2 PHE 142 HB2 PHE 142 1.156 16.822 18.019 1129 HB3 PHE 142 HB3 PHE 142 1.433 18.468 17.475 1130 HD1 PHE 142 HD1 PHE 142 2.803 19.929 18.677 1131 HD2 PHE 142 HD2 PHE 142 1.615 16.236 20.422 1132 HE1 PHE 142 HE1 PHE 142 4.434 20.266 20.483 1133 HE2 PHE 142 HE2 PHE 142 3.245 16.562 22.236 1134 HZ PHE 142 HZ PHE 142 4.662 18.579 22.269 1135 H VAL 143 H VAL 143 -2.090 19.787 17.735 1136 HA VAL 143 HA VAL 143 -3.138 17.835 15.834 1137 HB VAL 143 HB VAL 143 -4.150 20.623 16.358 1138 HG11 VAL 143 HG11 VAL 143 -5.427 18.260 15.002 1139 HG12 VAL 143 HG12 VAL 143 -4.816 19.708 14.205 1140 HG13 VAL 143 HG13 VAL 143 -6.202 19.819 15.293 1141 HG21 VAL 143 HG21 VAL 143 -5.884 19.561 17.738 1142 HG22 VAL 143 HG22 VAL 143 -4.269 19.320 18.404 1143 HG23 VAL 143 HG23 VAL 143 -5.070 18.011 17.539 1144 H ALA 144 H ALA 144 -1.616 17.706 14.305 1145 HA ALA 144 HA ALA 144 -0.639 20.109 13.001 1146 HB1 ALA 144 HB1 ALA 144 -0.044 17.219 12.380 1147 HB2 ALA 144 HB2 ALA 144 0.898 18.239 13.468 1148 HB3 ALA 144 HB3 ALA 144 0.808 18.630 11.750 1149 H THR 145 H THR 145 -2.044 21.021 11.666 1150 HA THR 145 HA THR 145 -3.995 19.413 10.237 1151 HB THR 145 HB THR 145 -3.602 22.385 9.914 1152 HG1 THR 145 HG1 THR 145 -4.183 21.048 12.193 1153 HG21 THR 145 HG21 THR 145 -6.004 20.555 9.765 1154 HG22 THR 145 HG22 THR 145 -5.221 21.388 8.418 1155 HG23 THR 145 HG23 THR 145 -6.080 22.314 9.654 1156 H GLU 146 H GLU 146 -4.047 19.094 8.019 1157 HA GLU 146 HA GLU 146 -1.681 18.909 6.604 1158 HB2 GLU 146 HB2 GLU 146 -3.836 17.784 5.995 1159 HB3 GLU 146 HB3 GLU 146 -4.415 19.324 5.376 1160 HG2 GLU 146 HG2 GLU 146 -2.617 19.355 3.734 1161 HG3 GLU 146 HG3 GLU 146 -2.006 17.829 4.362 1162 H VAL 147 H VAL 147 -0.355 20.404 5.904 1163 HA VAL 147 HA VAL 147 -1.305 23.154 5.830 1164 HB VAL 147 HB VAL 147 0.571 22.730 7.288 1165 HG11 VAL 147 HG11 VAL 147 2.718 21.982 6.524 1166 HG12 VAL 147 HG12 VAL 147 2.126 21.882 4.861 1167 HG13 VAL 147 HG13 VAL 147 1.486 20.791 6.090 1168 HG21 VAL 147 HG21 VAL 147 0.480 24.910 6.232 1169 HG22 VAL 147 HG22 VAL 147 1.412 24.304 4.863 1170 HG23 VAL 147 HG23 VAL 147 2.152 24.401 6.460 1171 H LYS 148 H LYS 148 -0.857 24.562 4.168 1172 HA LYS 148 HA LYS 148 -1.177 23.561 1.570 1173 HB2 LYS 148 HB2 LYS 148 -0.735 25.997 0.942 1174 HB3 LYS 148 HB3 LYS 148 -2.092 25.680 2.014 1175 HG2 LYS 148 HG2 LYS 148 -0.617 26.263 3.938 1176 HG3 LYS 148 HG3 LYS 148 0.625 26.727 2.779 1177 HD2 LYS 148 HD2 LYS 148 -0.652 28.651 3.599 1178 HD3 LYS 148 HD3 LYS 148 -0.837 28.425 1.859 1179 HE2 LYS 148 HE2 LYS 148 -2.998 27.388 2.193 1180 HE3 LYS 148 HE3 LYS 148 -2.807 27.486 3.943 1181 HZ1 LYS 148 HZ1 LYS 148 -4.229 29.248 2.997 1182 HZ2 LYS 148 HZ2 LYS 148 -2.893 29.844 2.137 1183 HZ3 LYS 148 HZ3 LYS 148 -2.885 29.861 3.835 1184 H1 JPT 201 H7 UNK 201 -2.822 8.302 27.601 1185 H11 JPT 201 H11 UNK 201 -2.784 5.782 28.222 1186 H12 JPT 201 H12 UNK 201 -0.001 4.694 24.671 1187 H13 JPT 201 H13 UNK 201 -0.977 7.107 24.508 1188 H62 JPT 201 H62 UNK 201 -4.718 6.513 22.584 1189 H61 JPT 201 H61 UNK 201 -6.432 6.976 22.556 1190 H3 JPT 201 H3 UNK 201 -4.184 8.734 22.039 1191 H4 JPT 201 H4 UNK 201 -5.977 8.537 28.426 1192 H2 JPT 201 H2 UNK 201 -7.354 8.466 24.205 Start of MODEL 2 1 HA MET 1 HA MET 1 -6.060 0.131 -9.424 2 HB2 MET 1 HB2 MET 1 -3.769 -1.510 -8.318 3 HB3 MET 1 HB3 MET 1 -5.063 -0.800 -7.365 4 HG2 MET 1 HG2 MET 1 -6.685 -2.211 -8.536 5 HG3 MET 1 HG3 MET 1 -5.372 -2.934 -9.462 6 HE1 MET 1 HE1 MET 1 -5.890 -3.404 -4.900 7 HE2 MET 1 HE2 MET 1 -7.023 -2.524 -5.930 8 HE3 MET 1 HE3 MET 1 -5.401 -1.887 -5.653 9 H GLN 2 H GLN 2 -5.713 1.923 -8.115 10 HA GLN 2 HA GLN 2 -3.117 3.251 -8.533 11 HB2 GLN 2 HB2 GLN 2 -5.828 4.374 -7.847 12 HB3 GLN 2 HB3 GLN 2 -4.344 5.318 -7.763 13 HG2 GLN 2 HG2 GLN 2 -5.409 3.975 -10.243 14 HG3 GLN 2 HG3 GLN 2 -5.593 5.684 -9.844 15 HE21 GLN 2 HE21 GLN 2 -3.804 7.038 -9.916 16 HE22 GLN 2 HE22 GLN 2 -2.352 6.595 -10.755 17 H ALA 3 H ALA 3 -2.579 4.808 -6.679 18 HA ALA 3 HA ALA 3 -2.437 3.207 -4.265 19 HB1 ALA 3 HB1 ALA 3 -0.415 4.235 -5.098 20 HB2 ALA 3 HB2 ALA 3 -0.840 4.891 -3.516 21 HB3 ALA 3 HB3 ALA 3 -1.159 5.829 -4.978 22 H LYS 4 H LYS 4 -4.509 3.322 -3.477 23 HA LYS 4 HA LYS 4 -5.367 5.943 -2.487 24 HB2 LYS 4 HB2 LYS 4 -6.894 3.394 -2.919 25 HB3 LYS 4 HB3 LYS 4 -7.547 4.731 -1.987 26 HG2 LYS 4 HG2 LYS 4 -7.198 6.177 -4.005 27 HG3 LYS 4 HG3 LYS 4 -6.803 4.711 -4.903 28 HD2 LYS 4 HD2 LYS 4 -9.382 5.083 -3.393 29 HD3 LYS 4 HD3 LYS 4 -9.190 5.506 -5.094 30 HE2 LYS 4 HE2 LYS 4 -8.596 3.201 -5.607 31 HE3 LYS 4 HE3 LYS 4 -8.757 2.771 -3.905 32 HZ1 LYS 4 HZ1 LYS 4 -11.062 3.173 -3.966 33 HZ2 LYS 4 HZ2 LYS 4 -10.724 2.261 -5.359 34 HZ3 LYS 4 HZ3 LYS 4 -10.981 3.933 -5.477 35 HA PRO 5 HA PRO 5 -3.420 4.400 1.282 36 HB2 PRO 5 HB2 PRO 5 -3.968 6.730 2.655 37 HB3 PRO 5 HB3 PRO 5 -2.527 6.454 1.671 38 HG2 PRO 5 HG2 PRO 5 -5.070 7.850 0.961 39 HG3 PRO 5 HG3 PRO 5 -3.397 8.312 0.588 40 HD2 PRO 5 HD2 PRO 5 -4.941 7.177 -1.266 41 HD3 PRO 5 HD3 PRO 5 -3.223 6.741 -1.138 42 H GLN 6 H GLN 6 -4.365 3.195 2.725 43 HA GLN 6 HA GLN 6 -6.826 3.892 4.027 44 HB2 GLN 6 HB2 GLN 6 -8.014 1.845 3.245 45 HB3 GLN 6 HB3 GLN 6 -7.739 3.016 1.963 46 HG2 GLN 6 HG2 GLN 6 -5.706 1.671 1.327 47 HG3 GLN 6 HG3 GLN 6 -6.277 0.437 2.449 48 HE21 GLN 6 HE21 GLN 6 -6.865 2.079 -0.551 49 HE22 GLN 6 HE22 GLN 6 -8.042 0.967 -1.164 50 H ILE 7 H ILE 7 -7.439 2.235 5.593 51 HA ILE 7 HA ILE 7 -5.032 1.026 6.732 52 HB ILE 7 HB ILE 7 -7.653 1.923 7.893 53 HG12 ILE 7 HG12 ILE 7 -4.924 2.611 8.902 54 HG13 ILE 7 HG13 ILE 7 -5.511 3.370 7.427 55 HG21 ILE 7 HG21 ILE 7 -7.210 -0.200 8.950 56 HG22 ILE 7 HG22 ILE 7 -6.876 1.107 10.086 57 HG23 ILE 7 HG23 ILE 7 -5.545 0.278 9.280 58 HD11 ILE 7 HD11 ILE 7 -7.408 4.265 8.610 59 HD12 ILE 7 HD12 ILE 7 -5.905 4.735 9.404 60 HD13 ILE 7 HD13 ILE 7 -6.898 3.448 10.089 61 HA PRO 8 HA PRO 8 -6.698 -2.912 5.502 62 HB2 PRO 8 HB2 PRO 8 -4.639 -4.425 6.327 63 HB3 PRO 8 HB3 PRO 8 -4.514 -3.367 4.917 64 HG2 PRO 8 HG2 PRO 8 -3.543 -2.919 7.712 65 HG3 PRO 8 HG3 PRO 8 -2.730 -2.571 6.175 66 HD2 PRO 8 HD2 PRO 8 -4.041 -0.683 7.665 67 HD3 PRO 8 HD3 PRO 8 -3.827 -0.579 5.908 68 H LYS 9 H LYS 9 -6.516 -5.224 6.700 69 HA LYS 9 HA LYS 9 -8.057 -4.830 9.131 70 HB2 LYS 9 HB2 LYS 9 -8.567 -7.262 8.886 71 HB3 LYS 9 HB3 LYS 9 -9.045 -6.291 7.501 72 HG2 LYS 9 HG2 LYS 9 -7.214 -7.072 6.210 73 HG3 LYS 9 HG3 LYS 9 -6.459 -7.822 7.616 74 HD2 LYS 9 HD2 LYS 9 -7.524 -9.488 6.192 75 HD3 LYS 9 HD3 LYS 9 -8.308 -9.408 7.768 76 HE2 LYS 9 HE2 LYS 9 -10.086 -8.026 6.807 77 HE3 LYS 9 HE3 LYS 9 -9.301 -8.114 5.231 78 HZ1 LYS 9 HZ1 LYS 9 -9.626 -10.488 5.213 79 HZ2 LYS 9 HZ2 LYS 9 -11.120 -9.714 5.459 80 HZ3 LYS 9 HZ3 LYS 9 -10.320 -10.444 6.762 81 H ASP 10 H ASP 10 -4.868 -5.584 8.301 82 HA ASP 10 HA ASP 10 -4.438 -7.200 10.697 83 HB2 ASP 10 HB2 ASP 10 -3.424 -8.012 8.598 84 HB3 ASP 10 HB3 ASP 10 -2.490 -6.525 8.480 85 H LYS 11 H LYS 11 -2.961 -6.644 12.285 86 HA LYS 11 HA LYS 11 -2.730 -3.738 12.627 87 HB2 LYS 11 HB2 LYS 11 -2.438 -5.911 14.712 88 HB3 LYS 11 HB3 LYS 11 -2.621 -4.186 14.999 89 HG2 LYS 11 HG2 LYS 11 -4.878 -4.211 14.299 90 HG3 LYS 11 HG3 LYS 11 -4.728 -5.839 13.638 91 HD2 LYS 11 HD2 LYS 11 -4.522 -5.093 16.558 92 HD3 LYS 11 HD3 LYS 11 -5.921 -5.837 15.783 93 HE2 LYS 11 HE2 LYS 11 -3.165 -7.043 16.031 94 HE3 LYS 11 HE3 LYS 11 -4.591 -7.506 16.959 95 HZ1 LYS 11 HZ1 LYS 11 -4.403 -7.702 14.007 96 HZ2 LYS 11 HZ2 LYS 11 -5.638 -8.316 14.989 97 HZ3 LYS 11 HZ3 LYS 11 -4.082 -8.989 15.055 98 H SER 12 H SER 12 -0.912 -6.055 11.407 99 HA SER 12 HA SER 12 1.572 -5.258 12.768 100 HB2 SER 12 HB2 SER 12 1.270 -7.678 10.995 101 HB3 SER 12 HB3 SER 12 2.469 -7.377 12.254 102 HG SER 12 HG SER 12 -0.166 -8.270 12.457 103 H LYS 13 H LYS 13 -0.092 -4.200 10.317 104 HA LYS 13 HA LYS 13 2.096 -4.272 8.348 105 HB2 LYS 13 HB2 LYS 13 -0.847 -3.790 7.903 106 HB3 LYS 13 HB3 LYS 13 0.386 -3.711 6.653 107 HG2 LYS 13 HG2 LYS 13 0.937 -6.105 7.239 108 HG3 LYS 13 HG3 LYS 13 -0.550 -6.108 8.190 109 HD2 LYS 13 HD2 LYS 13 -1.806 -5.462 6.175 110 HD3 LYS 13 HD3 LYS 13 -0.308 -5.538 5.242 111 HE2 LYS 13 HE2 LYS 13 -1.634 -7.824 6.702 112 HE3 LYS 13 HE3 LYS 13 -1.583 -7.587 4.957 113 HZ1 LYS 13 HZ1 LYS 13 0.822 -7.818 5.026 114 HZ2 LYS 13 HZ2 LYS 13 0.071 -9.189 5.680 115 HZ3 LYS 13 HZ3 LYS 13 0.778 -8.045 6.707 116 H VAL 14 H VAL 14 1.998 -2.336 6.831 117 HA VAL 14 HA VAL 14 2.065 0.062 8.526 118 HB VAL 14 HB VAL 14 3.365 -0.454 5.843 119 HG11 VAL 14 HG11 VAL 14 3.675 1.879 7.728 120 HG12 VAL 14 HG12 VAL 14 2.830 1.907 6.180 121 HG13 VAL 14 HG13 VAL 14 4.572 1.631 6.232 122 HG21 VAL 14 HG21 VAL 14 4.547 -0.360 8.617 123 HG22 VAL 14 HG22 VAL 14 5.468 -0.493 7.119 124 HG23 VAL 14 HG23 VAL 14 4.374 -1.790 7.599 125 H ALA 15 H ALA 15 0.390 1.390 8.359 126 HA ALA 15 HA ALA 15 -1.202 1.462 5.910 127 HB1 ALA 15 HB1 ALA 15 -2.393 1.373 8.028 128 HB2 ALA 15 HB2 ALA 15 -2.734 2.889 7.194 129 HB3 ALA 15 HB3 ALA 15 -1.610 2.861 8.554 130 H GLY 16 H GLY 16 1.202 3.251 7.598 131 HA2 GLY 16 HA2 GLY 16 1.694 4.999 5.422 132 HA3 GLY 16 HA3 GLY 16 0.832 5.846 6.703 133 H TYR 17 H TYR 17 3.143 6.915 6.276 134 HA TYR 17 HA TYR 17 4.926 5.809 8.350 135 HB2 TYR 17 HB2 TYR 17 5.793 7.326 5.882 136 HB3 TYR 17 HB3 TYR 17 6.846 6.644 7.116 137 HD1 TYR 17 HD1 TYR 17 4.860 5.961 4.154 138 HD2 TYR 17 HD2 TYR 17 7.155 4.203 7.271 139 HE1 TYR 17 HE1 TYR 17 4.997 3.874 2.867 140 HE2 TYR 17 HE2 TYR 17 7.304 2.113 5.992 141 HH TYR 17 HH TYR 17 6.565 1.890 2.734 142 H ILE 18 H ILE 18 5.599 7.200 9.893 143 HA ILE 18 HA ILE 18 4.786 9.997 9.550 144 HB ILE 18 HB ILE 18 3.610 8.964 11.395 145 HG12 ILE 18 HG12 ILE 18 4.303 10.515 13.223 146 HG13 ILE 18 HG13 ILE 18 5.734 10.918 12.278 147 HG21 ILE 18 HG21 ILE 18 6.319 8.345 12.532 148 HG22 ILE 18 HG22 ILE 18 5.102 7.188 11.996 149 HG23 ILE 18 HG23 ILE 18 4.796 8.194 13.413 150 HD11 ILE 18 HD11 ILE 18 2.885 11.362 11.423 151 HD12 ILE 18 HD12 ILE 18 4.327 11.786 10.499 152 HD13 ILE 18 HD13 ILE 18 3.992 12.593 12.030 153 H GLU 19 H GLU 19 6.438 11.045 8.823 154 HA GLU 19 HA GLU 19 9.062 10.653 10.064 155 HB2 GLU 19 HB2 GLU 19 8.343 11.443 7.241 156 HB3 GLU 19 HB3 GLU 19 9.962 11.641 7.900 157 HG2 GLU 19 HG2 GLU 19 10.141 9.261 8.271 158 HG3 GLU 19 HG3 GLU 19 8.485 9.027 7.719 159 H ILE 20 H ILE 20 9.378 12.158 11.485 160 HA ILE 20 HA ILE 20 8.769 14.952 10.778 161 HB ILE 20 HB ILE 20 8.877 13.859 13.595 162 HG12 ILE 20 HG12 ILE 20 6.406 14.452 11.952 163 HG13 ILE 20 HG13 ILE 20 7.019 12.834 12.270 164 HG21 ILE 20 HG21 ILE 20 7.747 15.964 14.160 165 HG22 ILE 20 HG22 ILE 20 7.806 16.449 12.465 166 HG23 ILE 20 HG23 ILE 20 9.302 16.252 13.378 167 HD11 ILE 20 HD11 ILE 20 6.096 14.789 14.359 168 HD12 ILE 20 HD12 ILE 20 6.656 13.142 14.645 169 HD13 ILE 20 HD13 ILE 20 5.167 13.423 13.742 170 HA PRO 21 HA PRO 21 13.328 14.601 11.031 171 HB2 PRO 21 HB2 PRO 21 13.164 17.245 9.728 172 HB3 PRO 21 HB3 PRO 21 14.019 15.789 9.210 173 HG2 PRO 21 HG2 PRO 21 11.807 16.632 7.952 174 HG3 PRO 21 HG3 PRO 21 12.160 14.907 8.165 175 HD2 PRO 21 HD2 PRO 21 10.263 16.655 9.686 176 HD3 PRO 21 HD3 PRO 21 10.050 14.982 9.123 177 H ASP 22 H ASP 22 11.190 17.185 11.850 178 HA ASP 22 HA ASP 22 12.970 18.814 13.321 179 HB2 ASP 22 HB2 ASP 22 10.729 19.453 12.359 180 HB3 ASP 22 HB3 ASP 22 9.981 18.546 13.662 181 H ALA 23 H ALA 23 11.251 15.887 14.053 182 HA ALA 23 HA ALA 23 12.085 16.125 16.872 183 HB1 ALA 23 HB1 ALA 23 9.658 16.102 16.631 184 HB2 ALA 23 HB2 ALA 23 10.227 14.642 17.441 185 HB3 ALA 23 HB3 ALA 23 9.755 14.581 15.743 186 H ASP 24 H ASP 24 13.214 14.895 14.230 187 HA ASP 24 HA ASP 24 14.541 13.163 13.611 188 HB2 ASP 24 HB2 ASP 24 15.648 13.819 15.776 189 HB3 ASP 24 HB3 ASP 24 14.733 12.541 16.564 190 H ILE 25 H ILE 25 11.692 12.735 13.789 191 HA ILE 25 HA ILE 25 11.427 9.937 14.623 192 HB ILE 25 HB ILE 25 9.382 12.019 13.837 193 HG12 ILE 25 HG12 ILE 25 9.928 10.652 16.483 194 HG13 ILE 25 HG13 ILE 25 10.440 12.282 16.060 195 HG21 ILE 25 HG21 ILE 25 7.670 10.375 14.467 196 HG22 ILE 25 HG22 ILE 25 8.926 9.163 14.719 197 HG23 ILE 25 HG23 ILE 25 8.634 9.807 13.103 198 HD11 ILE 25 HD11 ILE 25 7.590 11.337 16.243 199 HD12 ILE 25 HD12 ILE 25 8.121 12.978 15.877 200 HD13 ILE 25 HD13 ILE 25 8.446 12.279 17.464 201 H LYS 26 H LYS 26 11.566 8.342 13.139 202 HA LYS 26 HA LYS 26 10.610 8.801 10.408 203 HB2 LYS 26 HB2 LYS 26 13.349 7.622 10.966 204 HB3 LYS 26 HB3 LYS 26 12.606 7.809 9.393 205 HG2 LYS 26 HG2 LYS 26 14.110 9.542 9.433 206 HG3 LYS 26 HG3 LYS 26 12.627 10.338 9.958 207 HD2 LYS 26 HD2 LYS 26 14.511 11.027 11.336 208 HD3 LYS 26 HD3 LYS 26 13.339 10.123 12.293 209 HE2 LYS 26 HE2 LYS 26 14.751 8.100 12.009 210 HE3 LYS 26 HE3 LYS 26 15.949 9.095 11.181 211 HZ1 LYS 26 HZ1 LYS 26 16.486 8.788 13.532 212 HZ2 LYS 26 HZ2 LYS 26 15.015 9.504 13.973 213 HZ3 LYS 26 HZ3 LYS 26 16.195 10.421 13.181 214 H GLU 27 H GLU 27 8.906 7.326 11.206 215 HA GLU 27 HA GLU 27 9.630 4.553 10.770 216 HB2 GLU 27 HB2 GLU 27 8.879 5.598 13.457 217 HB3 GLU 27 HB3 GLU 27 8.230 4.038 12.976 218 HG2 GLU 27 HG2 GLU 27 11.151 4.767 13.067 219 HG3 GLU 27 HG3 GLU 27 10.285 3.822 14.278 220 HA PRO 28 HA PRO 28 5.483 4.354 9.200 221 HB2 PRO 28 HB2 PRO 28 4.893 1.740 9.508 222 HB3 PRO 28 HB3 PRO 28 6.084 2.307 8.330 223 HG2 PRO 28 HG2 PRO 28 6.515 1.154 11.060 224 HG3 PRO 28 HG3 PRO 28 7.378 0.806 9.550 225 HD2 PRO 28 HD2 PRO 28 8.348 2.481 11.453 226 HD3 PRO 28 HD3 PRO 28 8.694 2.681 9.722 227 H VAL 29 H VAL 29 3.263 3.930 9.739 228 HA VAL 29 HA VAL 29 2.742 3.875 12.638 229 HB VAL 29 HB VAL 29 0.954 4.895 10.420 230 HG11 VAL 29 HG11 VAL 29 -0.297 4.064 12.344 231 HG12 VAL 29 HG12 VAL 29 -0.415 5.820 12.219 232 HG13 VAL 29 HG13 VAL 29 0.657 5.090 13.414 233 HG21 VAL 29 HG21 VAL 29 2.904 6.319 10.691 234 HG22 VAL 29 HG22 VAL 29 2.608 6.417 12.427 235 HG23 VAL 29 HG23 VAL 29 1.458 7.129 11.295 236 H TYR 30 H TYR 30 1.493 2.286 13.488 237 HA TYR 30 HA TYR 30 0.560 0.213 11.617 238 HB2 TYR 30 HB2 TYR 30 1.248 -0.038 14.555 239 HB3 TYR 30 HB3 TYR 30 0.750 -1.355 13.495 240 HD1 TYR 30 HD1 TYR 30 2.236 -1.663 11.342 241 HD2 TYR 30 HD2 TYR 30 3.513 0.320 14.881 242 HE1 TYR 30 HE1 TYR 30 4.576 -2.045 10.699 243 HE2 TYR 30 HE2 TYR 30 5.859 -0.058 14.254 244 HH TYR 30 HH TYR 30 6.773 -1.184 11.129 245 HA PRO 31 HA PRO 31 -3.437 1.597 12.978 246 HB2 PRO 31 HB2 PRO 31 -4.868 0.426 11.068 247 HB3 PRO 31 HB3 PRO 31 -3.765 1.753 10.686 248 HG2 PRO 31 HG2 PRO 31 -3.395 -1.190 10.307 249 HG3 PRO 31 HG3 PRO 31 -2.943 0.142 9.230 250 HD2 PRO 31 HD2 PRO 31 -1.221 -1.156 10.977 251 HD3 PRO 31 HD3 PRO 31 -0.950 0.452 10.282 252 H GLY 32 H GLY 32 -5.434 0.702 13.790 253 HA2 GLY 32 HA2 GLY 32 -6.362 -1.827 13.755 254 HA3 GLY 32 HA3 GLY 32 -5.106 -1.920 14.980 255 HA PRO 33 HA PRO 33 -9.085 -0.490 16.974 256 HB2 PRO 33 HB2 PRO 33 -9.415 -2.538 18.672 257 HB3 PRO 33 HB3 PRO 33 -9.943 -2.629 16.990 258 HG2 PRO 33 HG2 PRO 33 -7.449 -3.715 18.240 259 HG3 PRO 33 HG3 PRO 33 -8.565 -4.505 17.110 260 HD2 PRO 33 HD2 PRO 33 -6.225 -3.361 16.325 261 HD3 PRO 33 HD3 PRO 33 -7.658 -3.446 15.281 262 H ALA 34 H ALA 34 -5.958 -0.808 17.662 263 HA ALA 34 HA ALA 34 -4.548 0.083 19.180 264 HB1 ALA 34 HB1 ALA 34 -5.990 2.055 19.045 265 HB2 ALA 34 HB2 ALA 34 -5.315 1.841 20.661 266 HB3 ALA 34 HB3 ALA 34 -6.992 1.404 20.343 267 H THR 35 H THR 35 -4.397 -2.205 19.845 268 HA THR 35 HA THR 35 -5.198 -2.464 22.664 269 HB THR 35 HB THR 35 -4.746 -4.895 22.436 270 HG1 THR 35 HG1 THR 35 -4.401 -4.241 19.679 271 HG21 THR 35 HG21 THR 35 -6.727 -5.447 21.101 272 HG22 THR 35 HG22 THR 35 -6.734 -3.813 20.438 273 HG23 THR 35 HG23 THR 35 -7.024 -4.068 22.158 274 HA PRO 36 HA PRO 36 -1.348 -2.113 24.608 275 HB2 PRO 36 HB2 PRO 36 -1.135 -5.102 24.713 276 HB3 PRO 36 HB3 PRO 36 -0.785 -3.908 25.970 277 HG2 PRO 36 HG2 PRO 36 -3.091 -5.238 25.966 278 HG3 PRO 36 HG3 PRO 36 -3.024 -3.527 26.420 279 HD2 PRO 36 HD2 PRO 36 -4.115 -4.785 23.977 280 HD3 PRO 36 HD3 PRO 36 -4.523 -3.231 24.726 281 H GLU 37 H GLU 37 -1.099 -4.860 22.302 282 HA GLU 37 HA GLU 37 1.732 -4.594 22.133 283 HB2 GLU 37 HB2 GLU 37 -0.193 -6.161 20.420 284 HB3 GLU 37 HB3 GLU 37 1.558 -6.244 20.275 285 HG2 GLU 37 HG2 GLU 37 1.402 -6.770 22.852 286 HG3 GLU 37 HG3 GLU 37 -0.222 -7.292 22.404 287 H GLN 38 H GLN 38 -0.908 -3.282 20.196 288 HA GLN 38 HA GLN 38 0.684 -2.507 17.981 289 HB2 GLN 38 HB2 GLN 38 -1.916 -1.436 19.062 290 HB3 GLN 38 HB3 GLN 38 -1.118 -0.699 17.683 291 HG2 GLN 38 HG2 GLN 38 -2.537 -2.088 16.599 292 HG3 GLN 38 HG3 GLN 38 -1.161 -3.175 16.779 293 HE21 GLN 38 HE21 GLN 38 -1.304 -4.912 18.160 294 HE22 GLN 38 HE22 GLN 38 -2.790 -5.398 18.903 295 H LEU 39 H LEU 39 -0.207 -0.912 20.984 296 HA LEU 39 HA LEU 39 1.376 1.441 20.410 297 HB2 LEU 39 HB2 LEU 39 -0.184 0.573 22.850 298 HB3 LEU 39 HB3 LEU 39 0.728 2.066 22.772 299 HG LEU 39 HG LEU 39 -1.547 2.613 22.409 300 HD11 LEU 39 HD11 LEU 39 -0.103 2.578 19.770 301 HD12 LEU 39 HD12 LEU 39 -0.015 3.833 21.006 302 HD13 LEU 39 HD13 LEU 39 -1.526 3.551 20.141 303 HD21 LEU 39 HD21 LEU 39 -1.620 0.529 20.234 304 HD22 LEU 39 HD22 LEU 39 -2.933 1.621 20.673 305 HD23 LEU 39 HD23 LEU 39 -2.383 0.399 21.818 306 H ASN 40 H ASN 40 2.310 -1.478 20.931 307 HA ASN 40 HA ASN 40 4.371 -0.871 22.940 308 HB2 ASN 40 HB2 ASN 40 2.914 -2.879 23.317 309 HB3 ASN 40 HB3 ASN 40 3.537 -3.563 21.824 310 HD21 ASN 40 HD21 ASN 40 3.650 -4.658 24.449 311 HD22 ASN 40 HD22 ASN 40 5.315 -4.874 24.834 312 H ARG 41 H ARG 41 3.837 -2.320 19.740 313 HA ARG 41 HA ARG 41 6.688 -2.460 19.261 314 HB2 ARG 41 HB2 ARG 41 6.119 -3.471 17.135 315 HB3 ARG 41 HB3 ARG 41 5.200 -4.231 18.426 316 HG2 ARG 41 HG2 ARG 41 3.214 -3.069 17.790 317 HG3 ARG 41 HG3 ARG 41 4.106 -2.082 16.628 318 HD2 ARG 41 HD2 ARG 41 3.709 -5.069 16.503 319 HD3 ARG 41 HD3 ARG 41 2.903 -3.864 15.497 320 HE ARG 41 HE ARG 41 5.256 -3.296 14.727 321 HH11 ARG 41 HH11 ARG 41 4.388 -6.493 15.850 322 HH12 ARG 41 HH12 ARG 41 5.554 -7.300 14.838 323 HH21 ARG 41 HH21 ARG 41 6.793 -4.352 13.410 324 HH22 ARG 41 HH22 ARG 41 6.901 -6.083 13.438 325 H GLY 42 H GLY 42 4.084 -0.288 18.550 326 HA2 GLY 42 HA2 GLY 42 5.947 1.621 17.463 327 HA3 GLY 42 HA3 GLY 42 4.804 1.004 16.279 328 H VAL 43 H VAL 43 3.581 2.764 15.932 329 HA VAL 43 HA VAL 43 2.086 3.805 18.238 330 HB VAL 43 HB VAL 43 3.755 5.457 17.376 331 HG11 VAL 43 HG11 VAL 43 3.776 4.868 15.037 332 HG12 VAL 43 HG12 VAL 43 3.324 6.564 15.220 333 HG13 VAL 43 HG13 VAL 43 2.090 5.354 14.868 334 HG21 VAL 43 HG21 VAL 43 1.787 6.237 18.530 335 HG22 VAL 43 HG22 VAL 43 0.859 6.200 17.032 336 HG23 VAL 43 HG23 VAL 43 2.187 7.344 17.217 337 H SER 44 H SER 44 -0.143 4.301 17.796 338 HA SER 44 HA SER 44 -1.127 3.048 15.333 339 HB2 SER 44 HB2 SER 44 -2.018 2.371 18.142 340 HB3 SER 44 HB3 SER 44 -2.788 1.781 16.664 341 HG SER 44 HG SER 44 -0.578 1.008 16.127 342 H PHE 45 H PHE 45 -3.700 3.113 15.540 343 HA PHE 45 HA PHE 45 -4.336 5.958 15.663 344 HB2 PHE 45 HB2 PHE 45 -5.691 3.588 14.366 345 HB3 PHE 45 HB3 PHE 45 -6.397 5.193 14.393 346 HD1 PHE 45 HD1 PHE 45 -4.436 7.043 13.727 347 HD2 PHE 45 HD2 PHE 45 -4.784 3.036 12.344 348 HE1 PHE 45 HE1 PHE 45 -3.156 7.631 11.711 349 HE2 PHE 45 HE2 PHE 45 -3.507 3.618 10.323 350 HZ PHE 45 HZ PHE 45 -2.689 5.920 10.007 351 H ALA 46 H ALA 46 -6.585 6.498 16.412 352 HA ALA 46 HA ALA 46 -6.958 5.675 19.079 353 HB1 ALA 46 HB1 ALA 46 -7.669 7.864 18.219 354 HB2 ALA 46 HB2 ALA 46 -8.976 7.017 19.045 355 HB3 ALA 46 HB3 ALA 46 -8.936 7.070 17.282 356 H GLU 47 H GLU 47 -8.584 4.752 16.083 357 HA GLU 47 HA GLU 47 -9.468 2.307 17.360 358 HB2 GLU 47 HB2 GLU 47 -11.784 2.533 16.702 359 HB3 GLU 47 HB3 GLU 47 -11.336 3.892 17.721 360 HG2 GLU 47 HG2 GLU 47 -11.125 5.315 15.773 361 HG3 GLU 47 HG3 GLU 47 -11.502 3.954 14.718 362 H GLU 48 H GLU 48 -10.610 0.897 15.645 363 HA GLU 48 HA GLU 48 -8.719 0.681 13.494 364 HB2 GLU 48 HB2 GLU 48 -9.681 -1.240 14.827 365 HB3 GLU 48 HB3 GLU 48 -11.187 -0.994 13.953 366 HG2 GLU 48 HG2 GLU 48 -9.963 -1.390 11.837 367 HG3 GLU 48 HG3 GLU 48 -8.523 -1.759 12.787 368 H ASN 49 H ASN 49 -11.913 1.963 13.860 369 HA ASN 49 HA ASN 49 -12.510 1.826 11.030 370 HB2 ASN 49 HB2 ASN 49 -14.000 2.913 13.398 371 HB3 ASN 49 HB3 ASN 49 -14.520 3.280 11.755 372 HD21 ASN 49 HD21 ASN 49 -15.240 1.601 10.420 373 HD22 ASN 49 HD22 ASN 49 -15.758 0.079 11.079 374 H GLU 50 H GLU 50 -10.558 3.788 12.806 375 HA GLU 50 HA GLU 50 -11.071 6.348 11.754 376 HB2 GLU 50 HB2 GLU 50 -9.440 5.771 13.610 377 HB3 GLU 50 HB3 GLU 50 -8.342 5.188 12.367 378 HG2 GLU 50 HG2 GLU 50 -7.627 7.358 12.882 379 HG3 GLU 50 HG3 GLU 50 -8.475 7.493 11.344 380 H SER 51 H SER 51 -10.261 7.374 9.869 381 HA SER 51 HA SER 51 -9.138 5.536 7.855 382 HB2 SER 51 HB2 SER 51 -11.248 7.642 7.334 383 HB3 SER 51 HB3 SER 51 -10.611 6.472 6.178 384 HG SER 51 HG SER 51 -11.566 5.309 8.465 385 H LEU 52 H LEU 52 -7.830 6.501 6.243 386 HA LEU 52 HA LEU 52 -6.303 8.739 7.235 387 HB2 LEU 52 HB2 LEU 52 -5.997 7.163 4.674 388 HB3 LEU 52 HB3 LEU 52 -4.816 8.265 5.354 389 HG LEU 52 HG LEU 52 -5.720 5.708 6.681 390 HD11 LEU 52 HD11 LEU 52 -4.501 5.223 4.634 391 HD12 LEU 52 HD12 LEU 52 -3.532 4.823 6.053 392 HD13 LEU 52 HD13 LEU 52 -3.196 6.296 5.143 393 HD21 LEU 52 HD21 LEU 52 -3.754 6.087 8.115 394 HD22 LEU 52 HD22 LEU 52 -4.968 7.356 8.277 395 HD23 LEU 52 HD23 LEU 52 -3.507 7.647 7.332 396 H ASP 53 H ASP 53 -8.893 8.237 5.131 397 HA ASP 53 HA ASP 53 -8.446 10.611 3.525 398 HB2 ASP 53 HB2 ASP 53 -9.413 8.599 2.493 399 HB3 ASP 53 HB3 ASP 53 -10.771 8.673 3.609 400 H ASP 54 H ASP 54 -9.550 10.031 6.566 401 HA ASP 54 HA ASP 54 -11.886 11.654 6.705 402 HB2 ASP 54 HB2 ASP 54 -11.141 9.880 8.386 403 HB3 ASP 54 HB3 ASP 54 -9.986 11.063 8.982 404 H GLN 55 H GLN 55 -11.982 13.690 8.000 405 HA GLN 55 HA GLN 55 -10.066 15.592 7.041 406 HB2 GLN 55 HB2 GLN 55 -12.465 16.116 7.276 407 HB3 GLN 55 HB3 GLN 55 -12.333 15.930 9.016 408 HG2 GLN 55 HG2 GLN 55 -10.443 17.855 7.920 409 HG3 GLN 55 HG3 GLN 55 -12.126 18.274 7.614 410 HE21 GLN 55 HE21 GLN 55 -9.669 17.848 10.017 411 HE22 GLN 55 HE22 GLN 55 -10.564 18.513 11.342 412 H ASN 56 H ASN 56 -10.425 13.672 9.885 413 HA ASN 56 HA ASN 56 -7.969 14.901 10.897 414 HB2 ASN 56 HB2 ASN 56 -8.690 15.158 13.105 415 HB3 ASN 56 HB3 ASN 56 -10.047 15.744 12.163 416 HD21 ASN 56 HD21 ASN 56 -11.019 13.040 11.498 417 HD22 ASN 56 HD22 ASN 56 -11.687 12.409 12.967 418 H ILE 57 H ILE 57 -6.563 13.506 11.919 419 HA ILE 57 HA ILE 57 -7.371 10.678 11.958 420 HB ILE 57 HB ILE 57 -4.751 11.820 10.977 421 HG12 ILE 57 HG12 ILE 57 -5.441 10.041 9.115 422 HG13 ILE 57 HG13 ILE 57 -7.052 10.402 9.728 423 HG21 ILE 57 HG21 ILE 57 -5.410 8.953 11.597 424 HG22 ILE 57 HG22 ILE 57 -4.214 9.964 12.408 425 HG23 ILE 57 HG23 ILE 57 -3.983 9.503 10.720 426 HD11 ILE 57 HD11 ILE 57 -5.087 12.413 8.681 427 HD12 ILE 57 HD12 ILE 57 -6.726 12.750 9.242 428 HD13 ILE 57 HD13 ILE 57 -6.471 11.764 7.801 429 H SER 58 H SER 58 -7.377 9.967 13.959 430 HA SER 58 HA SER 58 -5.862 11.367 16.011 431 HB2 SER 58 HB2 SER 58 -7.600 8.963 16.503 432 HB3 SER 58 HB3 SER 58 -7.296 10.347 17.552 433 HG SER 58 HG SER 58 -8.915 10.204 15.231 434 H ILE 59 H ILE 59 -3.771 10.776 16.161 435 HA ILE 59 HA ILE 59 -3.120 7.909 16.047 436 HB ILE 59 HB ILE 59 -1.213 10.258 15.892 437 HG12 ILE 59 HG12 ILE 59 -2.251 8.439 13.698 438 HG13 ILE 59 HG13 ILE 59 -2.654 10.141 13.902 439 HG21 ILE 59 HG21 ILE 59 0.431 8.576 15.209 440 HG22 ILE 59 HG22 ILE 59 -0.775 7.308 15.426 441 HG23 ILE 59 HG23 ILE 59 -0.208 8.234 16.816 442 HD11 ILE 59 HD11 ILE 59 -0.346 10.758 13.473 443 HD12 ILE 59 HD12 ILE 59 -0.991 9.793 12.146 444 HD13 ILE 59 HD13 ILE 59 0.099 9.058 13.324 445 H ALA 60 H ALA 60 -2.668 6.892 17.886 446 HA ALA 60 HA ALA 60 -2.571 8.504 20.331 447 HB1 ALA 60 HB1 ALA 60 -4.310 6.784 20.169 448 HB2 ALA 60 HB2 ALA 60 -3.194 6.470 21.499 449 HB3 ALA 60 HB3 ALA 60 -3.061 5.546 20.002 450 H GLY 61 H GLY 61 -0.773 8.728 21.467 451 HA2 GLY 61 HA2 GLY 61 1.569 7.116 20.725 452 HA3 GLY 61 HA3 GLY 61 1.601 8.648 21.586 453 H HIS 62 H HIS 62 3.015 6.370 22.418 454 HA HIS 62 HA HIS 62 1.868 5.990 25.056 455 HB2 HIS 62 HB2 HIS 62 0.919 4.121 23.759 456 HB3 HIS 62 HB3 HIS 62 2.537 3.640 23.264 457 HD1 HIS 62 HD1 HIS 62 3.112 1.570 24.460 458 HD2 HIS 62 HD2 HIS 62 1.070 4.247 26.902 459 HE1 HIS 62 HE1 HIS 62 2.994 0.472 26.726 460 H THR 63 H THR 63 3.584 7.059 25.931 461 HA THR 63 HA THR 63 6.250 6.832 25.121 462 HB THR 63 HB THR 63 5.441 7.576 27.924 463 HG1 THR 63 HG1 THR 63 4.147 9.008 27.024 464 HG21 THR 63 HG21 THR 63 7.242 9.216 27.664 465 HG22 THR 63 HG22 THR 63 7.517 8.666 26.010 466 HG23 THR 63 HG23 THR 63 7.835 7.582 27.366 467 H PHE 64 H PHE 64 8.027 5.775 26.039 468 HA PHE 64 HA PHE 64 7.373 3.454 27.718 469 HB2 PHE 64 HB2 PHE 64 9.392 3.684 25.484 470 HB3 PHE 64 HB3 PHE 64 9.353 2.341 26.619 471 HD1 PHE 64 HD1 PHE 64 7.970 3.742 23.625 472 HD2 PHE 64 HD2 PHE 64 7.307 0.896 26.717 473 HE1 PHE 64 HE1 PHE 64 6.318 2.596 22.210 474 HE2 PHE 64 HE2 PHE 64 5.651 -0.255 25.308 475 HZ PHE 64 HZ PHE 64 5.157 0.597 23.051 476 H ILE 65 H ILE 65 9.446 2.572 28.788 477 HA ILE 65 HA ILE 65 10.739 4.858 30.121 478 HB ILE 65 HB ILE 65 10.462 1.998 31.074 479 HG12 ILE 65 HG12 ILE 65 8.981 4.488 31.956 480 HG13 ILE 65 HG13 ILE 65 8.304 3.215 30.947 481 HG21 ILE 65 HG21 ILE 65 12.437 3.119 31.970 482 HG22 ILE 65 HG22 ILE 65 11.228 2.864 33.230 483 HG23 ILE 65 HG23 ILE 65 11.435 4.463 32.516 484 HD11 ILE 65 HD11 ILE 65 8.568 1.624 32.772 485 HD12 ILE 65 HD12 ILE 65 7.581 3.004 33.257 486 HD13 ILE 65 HD13 ILE 65 9.261 2.893 33.781 487 H ASP 66 H ASP 66 11.377 1.718 28.633 488 HA ASP 66 HA ASP 66 14.224 1.923 29.142 489 HB2 ASP 66 HB2 ASP 66 14.367 -0.305 28.174 490 HB3 ASP 66 HB3 ASP 66 13.066 -0.247 29.359 491 H ARG 67 H ARG 67 12.230 3.180 26.830 492 HA ARG 67 HA ARG 67 14.294 2.968 24.739 493 HB2 ARG 67 HB2 ARG 67 11.333 3.399 24.313 494 HB3 ARG 67 HB3 ARG 67 12.553 3.161 23.066 495 HG2 ARG 67 HG2 ARG 67 12.938 0.900 23.845 496 HG3 ARG 67 HG3 ARG 67 11.774 1.136 25.149 497 HD2 ARG 67 HD2 ARG 67 10.076 1.641 23.329 498 HD3 ARG 67 HD3 ARG 67 11.264 0.995 22.193 499 HE ARG 67 HE ARG 67 11.040 -0.915 24.143 500 HH11 ARG 67 HH11 ARG 67 8.877 0.599 21.848 501 HH12 ARG 67 HH12 ARG 67 7.745 -0.718 21.854 502 HH21 ARG 67 HH21 ARG 67 9.586 -2.644 24.147 503 HH22 ARG 67 HH22 ARG 67 8.150 -2.572 23.164 504 HA PRO 68 HA PRO 68 14.402 7.415 25.501 505 HB2 PRO 68 HB2 PRO 68 16.713 7.857 24.183 506 HB3 PRO 68 HB3 PRO 68 16.677 7.158 25.809 507 HG2 PRO 68 HG2 PRO 68 16.995 5.796 23.165 508 HG3 PRO 68 HG3 PRO 68 17.869 5.510 24.683 509 HD2 PRO 68 HD2 PRO 68 15.808 3.942 23.836 510 HD3 PRO 68 HD3 PRO 68 16.185 4.204 25.550 511 H ASN 69 H ASN 69 14.023 5.624 22.648 512 HA ASN 69 HA ASN 69 13.128 7.933 21.181 513 HB2 ASN 69 HB2 ASN 69 15.706 7.650 20.904 514 HB3 ASN 69 HB3 ASN 69 15.272 6.309 19.852 515 HD21 ASN 69 HD21 ASN 69 16.574 8.884 19.339 516 HD22 ASN 69 HD22 ASN 69 15.656 9.626 18.075 517 H TYR 70 H TYR 70 11.200 6.682 21.406 518 HA TYR 70 HA TYR 70 10.999 4.593 19.338 519 HB2 TYR 70 HB2 TYR 70 9.102 3.714 20.417 520 HB3 TYR 70 HB3 TYR 70 10.138 4.162 21.764 521 HD1 TYR 70 HD1 TYR 70 6.931 4.556 20.236 522 HD2 TYR 70 HD2 TYR 70 9.655 6.382 22.943 523 HE1 TYR 70 HE1 TYR 70 5.103 5.927 21.134 524 HE2 TYR 70 HE2 TYR 70 7.841 7.765 23.845 525 HH TYR 70 HH TYR 70 5.646 8.629 23.087 526 H GLN 71 H GLN 71 8.330 4.890 18.684 527 HA GLN 71 HA GLN 71 8.208 6.598 16.631 528 HB2 GLN 71 HB2 GLN 71 5.853 6.172 18.461 529 HB3 GLN 71 HB3 GLN 71 5.806 6.546 16.745 530 HG2 GLN 71 HG2 GLN 71 6.827 4.010 17.994 531 HG3 GLN 71 HG3 GLN 71 5.306 4.217 17.129 532 HE21 GLN 71 HE21 GLN 71 5.354 4.496 14.878 533 HE22 GLN 71 HE22 GLN 71 6.729 4.033 13.941 534 H PHE 72 H PHE 72 6.562 7.586 19.664 535 HA PHE 72 HA PHE 72 7.131 10.368 18.880 536 HB2 PHE 72 HB2 PHE 72 4.751 9.229 20.347 537 HB3 PHE 72 HB3 PHE 72 5.082 10.954 20.233 538 HD1 PHE 72 HD1 PHE 72 2.599 9.465 19.274 539 HD2 PHE 72 HD2 PHE 72 6.178 10.644 17.304 540 HE1 PHE 72 HE1 PHE 72 1.390 9.550 17.132 541 HE2 PHE 72 HE2 PHE 72 4.978 10.736 15.161 542 HZ PHE 72 HZ PHE 72 2.579 10.189 15.073 543 H THR 73 H THR 73 9.165 10.149 20.061 544 HA THR 73 HA THR 73 8.781 10.371 22.987 545 HB THR 73 HB THR 73 11.508 10.012 21.855 546 HG1 THR 73 HG1 THR 73 10.430 8.433 20.690 547 HG21 THR 73 HG21 THR 73 11.160 10.241 24.262 548 HG22 THR 73 HG22 THR 73 11.783 8.638 23.869 549 HG23 THR 73 HG23 THR 73 10.073 8.853 24.244 550 H ASN 74 H ASN 74 10.654 11.618 20.249 551 HA ASN 74 HA ASN 74 11.694 13.804 21.838 552 HB2 ASN 74 HB2 ASN 74 13.095 12.469 20.239 553 HB3 ASN 74 HB3 ASN 74 12.169 13.168 18.919 554 HD21 ASN 74 HD21 ASN 74 14.035 14.076 18.050 555 HD22 ASN 74 HD22 ASN 74 14.785 15.471 18.748 556 H LEU 75 H LEU 75 8.825 13.755 21.232 557 HA LEU 75 HA LEU 75 8.266 15.661 19.190 558 HB2 LEU 75 HB2 LEU 75 6.661 14.585 21.488 559 HB3 LEU 75 HB3 LEU 75 6.040 15.859 20.457 560 HG LEU 75 HG LEU 75 6.824 13.084 19.563 561 HD11 LEU 75 HD11 LEU 75 4.141 14.433 19.838 562 HD12 LEU 75 HD12 LEU 75 4.753 13.100 20.819 563 HD13 LEU 75 HD13 LEU 75 4.418 12.854 19.105 564 HD21 LEU 75 HD21 LEU 75 7.293 14.755 17.845 565 HD22 LEU 75 HD22 LEU 75 5.653 15.384 18.002 566 HD23 LEU 75 HD23 LEU 75 5.916 13.750 17.394 567 H LYS 76 H LYS 76 9.638 16.010 22.230 568 HA LYS 76 HA LYS 76 8.605 18.629 22.765 569 HB2 LYS 76 HB2 LYS 76 10.524 18.685 24.469 570 HB3 LYS 76 HB3 LYS 76 9.239 17.518 24.719 571 HG2 LYS 76 HG2 LYS 76 11.220 16.377 25.198 572 HG3 LYS 76 HG3 LYS 76 10.753 15.818 23.601 573 HD2 LYS 76 HD2 LYS 76 12.383 17.277 22.574 574 HD3 LYS 76 HD3 LYS 76 12.795 17.971 24.144 575 HE2 LYS 76 HE2 LYS 76 13.664 15.861 24.906 576 HE3 LYS 76 HE3 LYS 76 13.111 15.057 23.439 577 HZ1 LYS 76 HZ1 LYS 76 15.488 15.527 23.389 578 HZ2 LYS 76 HZ2 LYS 76 15.179 17.189 23.547 579 HZ3 LYS 76 HZ3 LYS 76 14.676 16.361 22.158 580 H ALA 77 H ALA 77 10.871 17.407 20.643 581 HA ALA 77 HA ALA 77 12.288 19.949 20.395 582 HB1 ALA 77 HB1 ALA 77 13.615 17.920 20.174 583 HB2 ALA 77 HB2 ALA 77 13.598 18.814 18.653 584 HB3 ALA 77 HB3 ALA 77 12.592 17.378 18.843 585 H ALA 78 H ALA 78 9.436 18.609 19.406 586 HA ALA 78 HA ALA 78 9.353 19.584 16.694 587 HB1 ALA 78 HB1 ALA 78 8.072 17.631 17.192 588 HB2 ALA 78 HB2 ALA 78 6.931 18.941 16.868 589 HB3 ALA 78 HB3 ALA 78 7.254 18.438 18.531 590 H LYS 79 H LYS 79 8.821 21.576 16.082 591 HA LYS 79 HA LYS 79 7.541 23.336 18.078 592 HB2 LYS 79 HB2 LYS 79 9.106 24.242 15.666 593 HB3 LYS 79 HB3 LYS 79 8.601 25.205 17.046 594 HG2 LYS 79 HG2 LYS 79 10.643 23.000 17.065 595 HG3 LYS 79 HG3 LYS 79 10.959 24.732 17.152 596 HD2 LYS 79 HD2 LYS 79 10.080 24.908 19.305 597 HD3 LYS 79 HD3 LYS 79 9.219 23.371 19.178 598 HE2 LYS 79 HE2 LYS 79 11.156 23.164 20.639 599 HE3 LYS 79 HE3 LYS 79 11.352 22.175 19.194 600 HZ1 LYS 79 HZ1 LYS 79 13.394 23.279 19.646 601 HZ2 LYS 79 HZ2 LYS 79 12.635 24.792 19.758 602 HZ3 LYS 79 HZ3 LYS 79 12.727 23.998 18.262 603 H LYS 80 H LYS 80 6.754 25.379 16.429 604 HA LYS 80 HA LYS 80 4.242 24.402 15.611 605 HB2 LYS 80 HB2 LYS 80 4.025 26.738 14.551 606 HB3 LYS 80 HB3 LYS 80 4.195 26.615 16.294 607 HG2 LYS 80 HG2 LYS 80 6.381 27.401 16.263 608 HG3 LYS 80 HG3 LYS 80 6.574 27.070 14.541 609 HD2 LYS 80 HD2 LYS 80 6.288 29.505 15.194 610 HD3 LYS 80 HD3 LYS 80 5.216 28.901 13.931 611 HE2 LYS 80 HE2 LYS 80 3.998 30.291 15.510 612 HE3 LYS 80 HE3 LYS 80 3.431 28.626 15.573 613 HZ1 LYS 80 HZ1 LYS 80 4.757 28.291 17.571 614 HZ2 LYS 80 HZ2 LYS 80 3.651 29.555 17.776 615 HZ3 LYS 80 HZ3 LYS 80 5.287 29.903 17.513 616 H GLY 81 H GLY 81 7.073 25.421 13.707 617 HA2 GLY 81 HA2 GLY 81 5.689 24.376 11.331 618 HA3 GLY 81 HA3 GLY 81 7.136 25.390 11.308 619 H SER 82 H SER 82 6.216 22.392 12.930 620 HA SER 82 HA SER 82 8.768 21.261 12.915 621 HB2 SER 82 HB2 SER 82 6.710 20.700 14.355 622 HB3 SER 82 HB3 SER 82 6.203 19.679 13.012 623 HG SER 82 HG SER 82 8.633 19.482 14.473 624 H MET 83 H MET 83 6.436 21.490 10.459 625 HA MET 83 HA MET 83 6.021 20.476 8.477 626 HB2 MET 83 HB2 MET 83 9.018 20.562 8.587 627 HB3 MET 83 HB3 MET 83 8.180 19.897 7.191 628 HG2 MET 83 HG2 MET 83 7.329 22.566 8.143 629 HG3 MET 83 HG3 MET 83 8.898 22.441 7.359 630 HE1 MET 83 HE1 MET 83 4.909 21.258 5.319 631 HE2 MET 83 HE2 MET 83 4.993 21.988 6.924 632 HE3 MET 83 HE3 MET 83 5.613 20.356 6.665 633 H VAL 84 H VAL 84 4.991 18.744 9.577 634 HA VAL 84 HA VAL 84 6.408 16.259 9.930 635 HB VAL 84 HB VAL 84 3.469 16.936 10.103 636 HG11 VAL 84 HG11 VAL 84 4.891 14.390 10.857 637 HG12 VAL 84 HG12 VAL 84 3.723 14.593 9.553 638 HG13 VAL 84 HG13 VAL 84 3.210 14.769 11.231 639 HG21 VAL 84 HG21 VAL 84 5.551 16.503 12.235 640 HG22 VAL 84 HG22 VAL 84 3.827 16.718 12.528 641 HG23 VAL 84 HG23 VAL 84 4.769 18.027 11.818 642 H TYR 85 H TYR 85 6.786 14.861 8.340 643 HA TYR 85 HA TYR 85 5.140 15.019 5.925 644 HB2 TYR 85 HB2 TYR 85 7.749 13.549 6.365 645 HB3 TYR 85 HB3 TYR 85 6.901 13.725 4.831 646 HD1 TYR 85 HD1 TYR 85 6.431 16.236 4.122 647 HD2 TYR 85 HD2 TYR 85 9.466 15.012 6.839 648 HE1 TYR 85 HE1 TYR 85 7.660 18.321 3.679 649 HE2 TYR 85 HE2 TYR 85 10.700 17.094 6.411 650 HH TYR 85 HH TYR 85 9.358 19.750 4.871 651 H PHE 86 H PHE 86 3.357 13.878 6.293 652 HA PHE 86 HA PHE 86 3.608 11.186 7.436 653 HB2 PHE 86 HB2 PHE 86 1.976 12.746 8.489 654 HB3 PHE 86 HB3 PHE 86 1.117 12.833 6.960 655 HD1 PHE 86 HD1 PHE 86 -0.796 11.597 6.846 656 HD2 PHE 86 HD2 PHE 86 2.435 10.152 9.205 657 HE1 PHE 86 HE1 PHE 86 -2.146 9.645 7.492 658 HE2 PHE 86 HE2 PHE 86 1.094 8.193 9.852 659 HZ PHE 86 HZ PHE 86 -1.204 7.939 8.996 660 H LYS 87 H LYS 87 3.881 9.675 5.981 661 HA LYS 87 HA LYS 87 2.959 10.151 3.248 662 HB2 LYS 87 HB2 LYS 87 4.890 8.110 4.353 663 HB3 LYS 87 HB3 LYS 87 4.494 8.322 2.654 664 HG2 LYS 87 HG2 LYS 87 5.434 10.539 2.665 665 HG3 LYS 87 HG3 LYS 87 5.746 10.422 4.400 666 HD2 LYS 87 HD2 LYS 87 7.257 8.544 3.993 667 HD3 LYS 87 HD3 LYS 87 6.943 8.676 2.260 668 HE2 LYS 87 HE2 LYS 87 7.949 10.843 2.175 669 HE3 LYS 87 HE3 LYS 87 8.073 10.912 3.932 670 HZ1 LYS 87 HZ1 LYS 87 9.472 8.888 2.277 671 HZ2 LYS 87 HZ2 LYS 87 9.717 9.230 3.925 672 HZ3 LYS 87 HZ3 LYS 87 10.172 10.362 2.744 673 H VAL 88 H VAL 88 1.520 8.937 2.259 674 HA VAL 88 HA VAL 88 0.603 6.448 3.486 675 HB VAL 88 HB VAL 88 -1.804 7.160 3.014 676 HG11 VAL 88 HG11 VAL 88 -2.036 8.275 5.177 677 HG12 VAL 88 HG12 VAL 88 -0.296 8.562 5.214 678 HG13 VAL 88 HG13 VAL 88 -0.920 6.913 5.270 679 HG21 VAL 88 HG21 VAL 88 -0.530 9.891 3.066 680 HG22 VAL 88 HG22 VAL 88 -2.262 9.565 3.121 681 HG23 VAL 88 HG23 VAL 88 -1.329 9.140 1.685 682 H GLY 89 H GLY 89 0.947 5.032 1.927 683 HA2 GLY 89 HA2 GLY 89 1.004 4.040 -0.145 684 HA3 GLY 89 HA3 GLY 89 -0.285 5.145 -0.610 685 H ASN 90 H ASN 90 0.179 6.851 -1.892 686 HA ASN 90 HA ASN 90 3.015 7.253 -2.570 687 HB2 ASN 90 HB2 ASN 90 2.475 7.692 -4.813 688 HB3 ASN 90 HB3 ASN 90 1.499 6.296 -4.387 689 HD21 ASN 90 HD21 ASN 90 -0.559 7.743 -2.985 690 HD22 ASN 90 HD22 ASN 90 -1.449 8.632 -4.167 691 H GLU 91 H GLU 91 0.767 8.596 -0.752 692 HA GLU 91 HA GLU 91 1.176 11.341 -1.720 693 HB2 GLU 91 HB2 GLU 91 -0.790 10.269 0.312 694 HB3 GLU 91 HB3 GLU 91 -0.655 11.952 -0.173 695 HG2 GLU 91 HG2 GLU 91 -1.189 11.231 -2.507 696 HG3 GLU 91 HG3 GLU 91 -1.520 9.624 -1.861 697 H THR 92 H THR 92 2.908 12.282 -0.874 698 HA THR 92 HA THR 92 3.565 11.871 1.946 699 HB THR 92 HB THR 92 5.006 13.628 -0.050 700 HG1 THR 92 HG1 THR 92 5.026 11.464 -0.777 701 HG21 THR 92 HG21 THR 92 6.893 13.367 1.498 702 HG22 THR 92 HG22 THR 92 5.885 12.383 2.560 703 HG23 THR 92 HG23 THR 92 5.499 14.085 2.310 704 H ARG 93 H ARG 93 2.126 12.969 3.149 705 HA ARG 93 HA ARG 93 1.169 15.570 2.232 706 HB2 ARG 93 HB2 ARG 93 0.238 14.128 4.696 707 HB3 ARG 93 HB3 ARG 93 -0.654 15.246 3.672 708 HG2 ARG 93 HG2 ARG 93 -0.819 13.609 1.927 709 HG3 ARG 93 HG3 ARG 93 0.226 12.499 2.810 710 HD2 ARG 93 HD2 ARG 93 -1.943 11.702 3.177 711 HD3 ARG 93 HD3 ARG 93 -1.531 12.577 4.652 712 HE ARG 93 HE ARG 93 -2.903 14.423 3.824 713 HH11 ARG 93 HH11 ARG 93 -3.320 11.280 2.343 714 HH12 ARG 93 HH12 ARG 93 -4.927 11.608 1.776 715 HH21 ARG 93 HH21 ARG 93 -5.000 14.869 3.101 716 HH22 ARG 93 HH22 ARG 93 -5.888 13.667 2.215 717 H LYS 94 H LYS 94 1.605 17.466 3.272 718 HA LYS 94 HA LYS 94 3.618 17.325 5.404 719 HB2 LYS 94 HB2 LYS 94 2.814 19.910 4.110 720 HB3 LYS 94 HB3 LYS 94 4.345 19.463 4.827 721 HG2 LYS 94 HG2 LYS 94 4.812 19.600 2.565 722 HG3 LYS 94 HG3 LYS 94 4.600 17.868 2.835 723 HD2 LYS 94 HD2 LYS 94 2.402 17.915 1.908 724 HD3 LYS 94 HD3 LYS 94 2.387 19.678 1.876 725 HE2 LYS 94 HE2 LYS 94 4.344 18.024 0.303 726 HE3 LYS 94 HE3 LYS 94 2.776 18.519 -0.333 727 HZ1 LYS 94 HZ1 LYS 94 4.657 19.995 -0.943 728 HZ2 LYS 94 HZ2 LYS 94 4.802 20.431 0.691 729 HZ3 LYS 94 HZ3 LYS 94 3.381 20.791 -0.158 730 H TYR 95 H TYR 95 3.119 17.892 7.431 731 HA TYR 95 HA TYR 95 0.593 19.348 7.857 732 HB2 TYR 95 HB2 TYR 95 1.782 17.108 9.502 733 HB3 TYR 95 HB3 TYR 95 0.428 18.103 10.031 734 HD1 TYR 95 HD1 TYR 95 1.513 15.555 7.610 735 HD2 TYR 95 HD2 TYR 95 -1.764 17.789 9.129 736 HE1 TYR 95 HE1 TYR 95 -0.045 14.069 6.432 737 HE2 TYR 95 HE2 TYR 95 -3.331 16.307 7.957 738 HH TYR 95 HH TYR 95 -3.230 14.814 5.891 739 H LYS 96 H LYS 96 0.605 21.039 9.235 740 HA LYS 96 HA LYS 96 3.236 21.811 10.322 741 HB2 LYS 96 HB2 LYS 96 1.847 23.193 8.518 742 HB3 LYS 96 HB3 LYS 96 1.025 23.785 9.955 743 HG2 LYS 96 HG2 LYS 96 2.741 25.319 9.393 744 HG3 LYS 96 HG3 LYS 96 3.245 24.466 10.855 745 HD2 LYS 96 HD2 LYS 96 5.186 24.306 9.672 746 HD3 LYS 96 HD3 LYS 96 4.375 22.874 9.037 747 HE2 LYS 96 HE2 LYS 96 5.330 24.144 7.217 748 HE3 LYS 96 HE3 LYS 96 3.570 24.221 7.133 749 HZ1 LYS 96 HZ1 LYS 96 5.068 26.349 8.518 750 HZ2 LYS 96 HZ2 LYS 96 3.546 26.421 7.761 751 HZ3 LYS 96 HZ3 LYS 96 4.958 26.358 6.826 752 H MET 97 H MET 97 3.420 22.192 12.489 753 HA MET 97 HA MET 97 1.214 21.294 14.138 754 HB2 MET 97 HB2 MET 97 4.060 22.081 14.764 755 HB3 MET 97 HB3 MET 97 2.895 21.678 16.013 756 HG2 MET 97 HG2 MET 97 3.694 19.832 13.783 757 HG3 MET 97 HG3 MET 97 4.408 19.825 15.395 758 HE1 MET 97 HE1 MET 97 2.272 16.574 15.505 759 HE2 MET 97 HE2 MET 97 3.858 17.297 15.799 760 HE3 MET 97 HE3 MET 97 3.218 17.209 14.158 761 H THR 98 H THR 98 -0.181 23.084 13.605 762 HA THR 98 HA THR 98 0.640 25.724 14.460 763 HB THR 98 HB THR 98 -0.537 25.760 12.427 764 HG1 THR 98 HG1 THR 98 -1.581 26.943 14.574 765 HG21 THR 98 HG21 THR 98 -1.538 23.567 12.482 766 HG22 THR 98 HG22 THR 98 -2.787 24.767 12.143 767 HG23 THR 98 HG23 THR 98 -2.649 24.069 13.758 768 H SER 99 H SER 99 -0.929 23.073 15.891 769 HA SER 99 HA SER 99 -1.676 24.817 18.122 770 HB2 SER 99 HB2 SER 99 -3.413 22.578 17.070 771 HB3 SER 99 HB3 SER 99 -3.744 23.555 18.496 772 HG SER 99 HG SER 99 -3.330 25.255 16.564 773 H ILE 100 H ILE 100 -0.110 24.245 19.484 774 HA ILE 100 HA ILE 100 0.227 21.371 20.083 775 HB ILE 100 HB ILE 100 2.298 23.566 20.312 776 HG12 ILE 100 HG12 ILE 100 2.192 21.187 18.443 777 HG13 ILE 100 HG13 ILE 100 1.842 22.850 17.980 778 HG21 ILE 100 HG21 ILE 100 2.538 21.911 22.080 779 HG22 ILE 100 HG22 ILE 100 3.853 21.767 20.913 780 HG23 ILE 100 HG23 ILE 100 2.520 20.612 20.887 781 HD11 ILE 100 HD11 ILE 100 4.132 23.482 18.543 782 HD12 ILE 100 HD12 ILE 100 4.085 22.213 17.321 783 HD13 ILE 100 HD13 ILE 100 4.479 21.813 18.993 784 H ARG 101 H ARG 101 -0.485 20.836 22.071 785 HA ARG 101 HA ARG 101 0.287 22.427 24.332 786 HB2 ARG 101 HB2 ARG 101 -1.929 22.886 25.217 787 HB3 ARG 101 HB3 ARG 101 -1.750 23.639 23.641 788 HG2 ARG 101 HG2 ARG 101 -3.048 21.859 22.619 789 HG3 ARG 101 HG3 ARG 101 -3.191 21.050 24.182 790 HD2 ARG 101 HD2 ARG 101 -5.211 22.316 23.650 791 HD3 ARG 101 HD3 ARG 101 -4.404 22.971 25.074 792 HE ARG 101 HE ARG 101 -3.487 24.352 22.819 793 HH11 ARG 101 HH11 ARG 101 -6.418 23.996 24.709 794 HH12 ARG 101 HH12 ARG 101 -7.004 25.584 24.324 795 HH21 ARG 101 HH21 ARG 101 -4.260 26.417 22.288 796 HH22 ARG 101 HH22 ARG 101 -5.779 26.969 22.940 797 H ASP 102 H ASP 102 -0.982 21.440 26.354 798 HA ASP 102 HA ASP 102 -1.368 18.559 25.959 799 HB2 ASP 102 HB2 ASP 102 -0.387 18.270 28.311 800 HB3 ASP 102 HB3 ASP 102 0.752 18.577 27.005 801 H VAL 103 H VAL 103 -3.026 17.671 27.162 802 HA VAL 103 HA VAL 103 -4.656 19.654 28.605 803 HB VAL 103 HB VAL 103 -6.677 18.525 27.791 804 HG11 VAL 103 HG11 VAL 103 -4.804 19.449 25.619 805 HG12 VAL 103 HG12 VAL 103 -5.872 20.461 26.593 806 HG13 VAL 103 HG13 VAL 103 -6.554 19.298 25.457 807 HG21 VAL 103 HG21 VAL 103 -6.544 16.906 25.954 808 HG22 VAL 103 HG22 VAL 103 -5.773 16.295 27.418 809 HG23 VAL 103 HG23 VAL 103 -4.785 16.902 26.090 810 H LYS 104 H LYS 104 -6.596 18.156 29.609 811 HA LYS 104 HA LYS 104 -5.145 16.400 31.437 812 HB2 LYS 104 HB2 LYS 104 -6.897 16.992 33.140 813 HB3 LYS 104 HB3 LYS 104 -5.810 18.295 32.703 814 HG2 LYS 104 HG2 LYS 104 -8.488 18.028 31.391 815 HG3 LYS 104 HG3 LYS 104 -8.319 18.790 32.974 816 HD2 LYS 104 HD2 LYS 104 -6.625 20.325 31.965 817 HD3 LYS 104 HD3 LYS 104 -7.014 19.639 30.394 818 HE2 LYS 104 HE2 LYS 104 -9.447 20.266 30.951 819 HE3 LYS 104 HE3 LYS 104 -8.742 21.294 32.200 820 HZ1 LYS 104 HZ1 LYS 104 -8.504 21.501 29.267 821 HZ2 LYS 104 HZ2 LYS 104 -7.311 22.175 30.261 822 HZ3 LYS 104 HZ3 LYS 104 -8.917 22.708 30.393 823 HA PRO 105 HA PRO 105 -7.738 13.005 30.399 824 HB2 PRO 105 HB2 PRO 105 -8.450 12.029 32.881 825 HB3 PRO 105 HB3 PRO 105 -6.915 11.699 32.072 826 HG2 PRO 105 HG2 PRO 105 -7.545 13.709 34.193 827 HG3 PRO 105 HG3 PRO 105 -6.116 12.673 34.018 828 HD2 PRO 105 HD2 PRO 105 -6.052 15.265 33.343 829 HD3 PRO 105 HD3 PRO 105 -5.166 14.043 32.405 830 H THR 106 H THR 106 -8.927 15.622 32.202 831 HA THR 106 HA THR 106 -11.696 14.725 31.779 832 HB THR 106 HB THR 106 -11.211 14.937 34.155 833 HG1 THR 106 HG1 THR 106 -13.056 16.505 32.863 834 HG21 THR 106 HG21 THR 106 -10.617 17.099 35.153 835 HG22 THR 106 HG22 THR 106 -10.460 17.796 33.541 836 HG23 THR 106 HG23 THR 106 -9.363 16.517 34.059 837 H ASP 107 H ASP 107 -9.670 16.337 30.090 838 HA ASP 107 HA ASP 107 -10.811 18.959 29.901 839 HB2 ASP 107 HB2 ASP 107 -8.484 18.483 29.183 840 HB3 ASP 107 HB3 ASP 107 -9.111 17.489 27.870 841 H VAL 108 H VAL 108 -12.506 19.616 28.778 842 HA VAL 108 HA VAL 108 -13.708 17.763 26.831 843 HB VAL 108 HB VAL 108 -15.935 18.689 27.503 844 HG11 VAL 108 HG11 VAL 108 -16.128 17.356 29.558 845 HG12 VAL 108 HG12 VAL 108 -14.369 17.269 29.654 846 HG13 VAL 108 HG13 VAL 108 -15.218 16.518 28.302 847 HG21 VAL 108 HG21 VAL 108 -15.188 20.760 28.539 848 HG22 VAL 108 HG22 VAL 108 -14.372 19.849 29.809 849 HG23 VAL 108 HG23 VAL 108 -16.130 19.801 29.680 850 H GLU 109 H GLU 109 -11.831 19.932 26.372 851 HA GLU 109 HA GLU 109 -13.568 21.767 24.848 852 HB2 GLU 109 HB2 GLU 109 -10.906 22.378 26.132 853 HB3 GLU 109 HB3 GLU 109 -11.869 23.502 25.178 854 HG2 GLU 109 HG2 GLU 109 -13.682 23.310 26.815 855 HG3 GLU 109 HG3 GLU 109 -12.675 22.231 27.779 856 H VAL 110 H VAL 110 -11.265 19.358 24.604 857 HA VAL 110 HA VAL 110 -10.133 20.422 22.118 858 HB VAL 110 HB VAL 110 -8.811 18.291 22.059 859 HG11 VAL 110 HG11 VAL 110 -7.865 20.334 22.964 860 HG12 VAL 110 HG12 VAL 110 -7.301 18.938 23.882 861 HG13 VAL 110 HG13 VAL 110 -8.563 19.977 24.546 862 HG21 VAL 110 HG21 VAL 110 -10.323 16.893 23.375 863 HG22 VAL 110 HG22 VAL 110 -10.000 17.879 24.802 864 HG23 VAL 110 HG23 VAL 110 -8.706 16.921 24.079 865 H LEU 111 H LEU 111 -12.593 18.354 23.214 866 HA LEU 111 HA LEU 111 -13.102 17.400 20.497 867 HB2 LEU 111 HB2 LEU 111 -14.991 16.107 21.719 868 HB3 LEU 111 HB3 LEU 111 -13.344 15.542 21.849 869 HG LEU 111 HG LEU 111 -14.739 15.454 23.948 870 HD11 LEU 111 HD11 LEU 111 -12.133 16.927 24.033 871 HD12 LEU 111 HD12 LEU 111 -12.386 15.187 24.122 872 HD13 LEU 111 HD13 LEU 111 -12.936 16.227 25.435 873 HD21 LEU 111 HD21 LEU 111 -14.344 18.426 23.911 874 HD22 LEU 111 HD22 LEU 111 -14.952 17.489 25.275 875 HD23 LEU 111 HD23 LEU 111 -15.881 17.570 23.777 876 H ASP 112 H ASP 112 -13.336 20.097 21.589 877 HA ASP 112 HA ASP 112 -16.228 20.632 21.356 878 HB2 ASP 112 HB2 ASP 112 -15.049 21.077 23.568 879 HB3 ASP 112 HB3 ASP 112 -14.134 22.310 22.713 880 H GLU 113 H GLU 113 -16.820 22.420 20.077 881 HA GLU 113 HA GLU 113 -16.752 23.529 18.085 882 HB2 GLU 113 HB2 GLU 113 -14.235 24.508 19.416 883 HB3 GLU 113 HB3 GLU 113 -14.801 25.147 17.882 884 HG2 GLU 113 HG2 GLU 113 -16.973 25.684 19.075 885 HG3 GLU 113 HG3 GLU 113 -16.100 25.349 20.574 886 H GLN 114 H GLN 114 -16.372 21.265 17.140 887 HA GLN 114 HA GLN 114 -13.699 20.956 16.029 888 HB2 GLN 114 HB2 GLN 114 -16.115 19.201 15.589 889 HB3 GLN 114 HB3 GLN 114 -14.439 18.808 15.241 890 HG2 GLN 114 HG2 GLN 114 -15.554 19.318 17.977 891 HG3 GLN 114 HG3 GLN 114 -15.298 17.724 17.277 892 HE21 GLN 114 HE21 GLN 114 -13.842 20.464 18.788 893 HE22 GLN 114 HE22 GLN 114 -12.271 19.787 18.989 894 H LYS 115 H LYS 115 -13.546 22.627 14.672 895 HA LYS 115 HA LYS 115 -15.551 23.284 12.742 896 HB2 LYS 115 HB2 LYS 115 -12.873 24.357 13.474 897 HB3 LYS 115 HB3 LYS 115 -13.557 24.793 11.916 898 HG2 LYS 115 HG2 LYS 115 -14.021 26.466 13.638 899 HG3 LYS 115 HG3 LYS 115 -15.495 25.752 12.988 900 HD2 LYS 115 HD2 LYS 115 -15.506 24.214 14.973 901 HD3 LYS 115 HD3 LYS 115 -14.178 25.170 15.634 902 HE2 LYS 115 HE2 LYS 115 -16.834 26.339 14.834 903 HE3 LYS 115 HE3 LYS 115 -16.470 25.780 16.465 904 HZ1 LYS 115 HZ1 LYS 115 -15.114 27.525 16.864 905 HZ2 LYS 115 HZ2 LYS 115 -16.102 28.275 15.702 906 HZ3 LYS 115 HZ3 LYS 115 -14.589 27.654 15.254 907 H GLY 116 H GLY 116 -15.206 23.477 10.478 908 HA2 GLY 116 HA2 GLY 116 -14.255 21.069 9.306 909 HA3 GLY 116 HA3 GLY 116 -14.827 22.493 8.448 910 H LYS 117 H LYS 117 -12.113 21.681 10.539 911 HA LYS 117 HA LYS 117 -10.131 23.194 9.257 912 HB2 LYS 117 HB2 LYS 117 -9.949 20.584 10.768 913 HB3 LYS 117 HB3 LYS 117 -8.544 21.492 10.237 914 HG2 LYS 117 HG2 LYS 117 -10.647 22.601 12.071 915 HG3 LYS 117 HG3 LYS 117 -9.174 21.803 12.623 916 HD2 LYS 117 HD2 LYS 117 -7.950 23.505 11.127 917 HD3 LYS 117 HD3 LYS 117 -9.475 24.398 11.159 918 HE2 LYS 117 HE2 LYS 117 -8.106 25.252 12.913 919 HE3 LYS 117 HE3 LYS 117 -9.386 24.295 13.658 920 HZ1 LYS 117 HZ1 LYS 117 -7.383 23.704 14.733 921 HZ2 LYS 117 HZ2 LYS 117 -6.547 23.550 13.268 922 HZ3 LYS 117 HZ3 LYS 117 -7.734 22.412 13.686 923 H ASP 118 H ASP 118 -8.180 22.128 8.144 924 HA ASP 118 HA ASP 118 -9.001 20.386 5.985 925 HB2 ASP 118 HB2 ASP 118 -7.112 22.276 6.047 926 HB3 ASP 118 HB3 ASP 118 -6.118 20.931 6.592 927 H LYS 119 H LYS 119 -6.921 18.577 5.770 928 HA LYS 119 HA LYS 119 -7.572 16.657 7.755 929 HB2 LYS 119 HB2 LYS 119 -5.472 16.806 5.616 930 HB3 LYS 119 HB3 LYS 119 -5.414 15.523 6.816 931 HG2 LYS 119 HG2 LYS 119 -6.515 14.809 4.755 932 HG3 LYS 119 HG3 LYS 119 -7.605 14.746 6.139 933 HD2 LYS 119 HD2 LYS 119 -8.707 16.749 5.459 934 HD3 LYS 119 HD3 LYS 119 -7.502 17.052 4.203 935 HE2 LYS 119 HE2 LYS 119 -9.462 16.178 3.152 936 HE3 LYS 119 HE3 LYS 119 -8.219 14.929 3.107 937 HZ1 LYS 119 HZ1 LYS 119 -9.309 14.050 5.202 938 HZ2 LYS 119 HZ2 LYS 119 -10.161 13.840 3.756 939 HZ3 LYS 119 HZ3 LYS 119 -10.617 15.067 4.830 940 H GLN 120 H GLN 120 -7.002 16.807 9.820 941 HA GLN 120 HA GLN 120 -4.333 17.902 10.391 942 HB2 GLN 120 HB2 GLN 120 -5.165 18.709 12.545 943 HB3 GLN 120 HB3 GLN 120 -6.054 19.415 11.206 944 HG2 GLN 120 HG2 GLN 120 -7.906 17.891 11.615 945 HG3 GLN 120 HG3 GLN 120 -7.007 17.142 12.935 946 HE21 GLN 120 HE21 GLN 120 -8.523 17.670 14.493 947 HE22 GLN 120 HE22 GLN 120 -8.781 19.292 15.030 948 H LEU 121 H LEU 121 -2.945 16.731 11.482 949 HA LEU 121 HA LEU 121 -3.723 14.073 12.357 950 HB2 LEU 121 HB2 LEU 121 -1.049 15.481 12.301 951 HB3 LEU 121 HB3 LEU 121 -1.279 13.854 12.906 952 HG LEU 121 HG LEU 121 -1.698 14.780 10.064 953 HD11 LEU 121 HD11 LEU 121 0.188 13.271 9.604 954 HD12 LEU 121 HD12 LEU 121 0.363 12.981 11.335 955 HD13 LEU 121 HD13 LEU 121 0.639 14.594 10.676 956 HD21 LEU 121 HD21 LEU 121 -3.321 13.053 10.676 957 HD22 LEU 121 HD22 LEU 121 -2.011 12.027 11.260 958 HD23 LEU 121 HD23 LEU 121 -2.117 12.431 9.548 959 H THR 122 H THR 122 -4.358 13.690 14.351 960 HA THR 122 HA THR 122 -3.707 15.670 16.413 961 HB THR 122 HB THR 122 -5.796 13.483 16.530 962 HG1 THR 122 HG1 THR 122 -5.882 15.464 14.940 963 HG21 THR 122 HG21 THR 122 -5.380 15.977 18.190 964 HG22 THR 122 HG22 THR 122 -5.094 14.317 18.716 965 HG23 THR 122 HG23 THR 122 -6.732 14.854 18.347 966 H LEU 123 H LEU 123 -1.687 15.025 17.052 967 HA LEU 123 HA LEU 123 -1.161 12.235 17.626 968 HB2 LEU 123 HB2 LEU 123 0.594 14.624 18.190 969 HB3 LEU 123 HB3 LEU 123 1.085 12.945 18.176 970 HG LEU 123 HG LEU 123 0.355 14.670 15.818 971 HD11 LEU 123 HD11 LEU 123 2.628 14.871 16.656 972 HD12 LEU 123 HD12 LEU 123 2.599 14.089 15.076 973 HD13 LEU 123 HD13 LEU 123 2.839 13.126 16.533 974 HD21 LEU 123 HD21 LEU 123 0.826 11.689 15.863 975 HD22 LEU 123 HD22 LEU 123 0.683 12.687 14.416 976 HD23 LEU 123 HD23 LEU 123 -0.698 12.496 15.497 977 H ILE 124 H ILE 124 -2.259 11.533 19.355 978 HA ILE 124 HA ILE 124 -2.436 13.191 21.748 979 HB ILE 124 HB ILE 124 -3.546 10.408 21.352 980 HG12 ILE 124 HG12 ILE 124 -4.983 13.035 20.906 981 HG13 ILE 124 HG13 ILE 124 -4.351 12.028 19.607 982 HG21 ILE 124 HG21 ILE 124 -5.105 11.101 23.129 983 HG22 ILE 124 HG22 ILE 124 -4.248 12.638 23.258 984 HG23 ILE 124 HG23 ILE 124 -3.424 11.131 23.662 985 HD11 ILE 124 HD11 ILE 124 -6.474 11.244 21.589 986 HD12 ILE 124 HD12 ILE 124 -5.829 10.211 20.314 987 HD13 ILE 124 HD13 ILE 124 -6.724 11.674 19.896 988 H THR 125 H THR 125 -0.425 13.192 22.651 989 HA THR 125 HA THR 125 0.938 10.622 23.006 990 HB THR 125 HB THR 125 2.076 13.360 23.580 991 HG1 THR 125 HG1 THR 125 1.274 12.890 21.312 992 HG21 THR 125 HG21 THR 125 3.289 11.442 24.526 993 HG22 THR 125 HG22 THR 125 4.221 12.225 23.249 994 HG23 THR 125 HG23 THR 125 3.379 10.711 22.924 995 H CYS 126 H CYS 126 -0.082 9.742 24.748 996 HA CYS 126 HA CYS 126 -0.558 11.266 27.136 997 HB2 CYS 126 HB2 CYS 126 -0.667 8.261 26.784 998 HB3 CYS 126 HB3 CYS 126 -1.439 9.211 28.052 999 H ASP 127 H ASP 127 1.039 11.839 28.425 1000 HA ASP 127 HA ASP 127 3.231 9.938 28.893 1001 HB2 ASP 127 HB2 ASP 127 4.868 11.460 28.426 1002 HB3 ASP 127 HB3 ASP 127 3.624 12.137 27.387 1003 H ASP 128 H ASP 128 4.584 10.982 30.855 1004 HA ASP 128 HA ASP 128 4.647 11.153 33.105 1005 HB2 ASP 128 HB2 ASP 128 2.896 13.223 32.278 1006 HB3 ASP 128 HB3 ASP 128 2.190 12.490 33.716 1007 H TYR 129 H TYR 129 4.362 8.943 33.274 1008 HA TYR 129 HA TYR 129 1.704 7.858 33.604 1009 HB2 TYR 129 HB2 TYR 129 3.507 6.593 32.448 1010 HB3 TYR 129 HB3 TYR 129 4.395 6.523 33.965 1011 HD1 TYR 129 HD1 TYR 129 3.902 4.885 35.587 1012 HD2 TYR 129 HD2 TYR 129 1.290 5.420 32.276 1013 HE1 TYR 129 HE1 TYR 129 2.734 2.811 36.186 1014 HE2 TYR 129 HE2 TYR 129 0.109 3.344 32.863 1015 HH TYR 129 HH TYR 129 0.622 1.233 34.086 1016 H ASN 130 H ASN 130 0.668 7.699 35.451 1017 HA ASN 130 HA ASN 130 2.104 8.158 37.958 1018 HB2 ASN 130 HB2 ASN 130 0.008 9.438 37.448 1019 HB3 ASN 130 HB3 ASN 130 -0.880 7.919 37.482 1020 HD21 ASN 130 HD21 ASN 130 -1.078 10.351 39.128 1021 HD22 ASN 130 HD22 ASN 130 -0.917 9.816 40.765 1022 H GLU 131 H GLU 131 3.045 6.340 38.613 1023 HA GLU 131 HA GLU 131 2.156 3.746 37.936 1024 HB2 GLU 131 HB2 GLU 131 4.122 4.572 40.069 1025 HB3 GLU 131 HB3 GLU 131 3.961 2.964 39.377 1026 HG2 GLU 131 HG2 GLU 131 4.571 3.913 37.168 1027 HG3 GLU 131 HG3 GLU 131 4.860 5.460 37.963 1028 H LYS 132 H LYS 132 1.240 5.834 40.495 1029 HA LYS 132 HA LYS 132 0.601 3.829 42.419 1030 HB2 LYS 132 HB2 LYS 132 0.421 6.717 42.208 1031 HB3 LYS 132 HB3 LYS 132 -0.903 5.986 43.108 1032 HG2 LYS 132 HG2 LYS 132 0.763 4.772 44.481 1033 HG3 LYS 132 HG3 LYS 132 2.038 5.661 43.641 1034 HD2 LYS 132 HD2 LYS 132 1.225 7.733 44.463 1035 HD3 LYS 132 HD3 LYS 132 -0.222 6.962 45.108 1036 HE2 LYS 132 HE2 LYS 132 2.558 6.286 46.037 1037 HE3 LYS 132 HE3 LYS 132 1.559 7.519 46.805 1038 HZ1 LYS 132 HZ1 LYS 132 1.489 5.227 47.820 1039 HZ2 LYS 132 HZ2 LYS 132 0.625 4.728 46.449 1040 HZ3 LYS 132 HZ3 LYS 132 -0.011 5.928 47.462 1041 H THR 133 H THR 133 -1.083 5.214 39.722 1042 HA THR 133 HA THR 133 -3.475 3.712 40.533 1043 HB THR 133 HB THR 133 -3.950 6.060 40.816 1044 HG1 THR 133 HG1 THR 133 -5.796 5.252 40.107 1045 HG21 THR 133 HG21 THR 133 -3.859 7.629 38.945 1046 HG22 THR 133 HG22 THR 133 -3.171 6.366 37.924 1047 HG23 THR 133 HG23 THR 133 -2.266 6.965 39.315 1048 H GLY 134 H GLY 134 -1.190 4.442 38.066 1049 HA2 GLY 134 HA2 GLY 134 -0.745 3.133 36.200 1050 HA3 GLY 134 HA3 GLY 134 -2.241 2.261 36.489 1051 H VAL 135 H VAL 135 -1.632 5.724 35.973 1052 HA VAL 135 HA VAL 135 -3.099 5.562 33.445 1053 HB VAL 135 HB VAL 135 -4.657 6.192 35.373 1054 HG11 VAL 135 HG11 VAL 135 -3.146 8.792 35.206 1055 HG12 VAL 135 HG12 VAL 135 -3.134 7.672 36.567 1056 HG13 VAL 135 HG13 VAL 135 -4.624 8.503 36.124 1057 HG21 VAL 135 HG21 VAL 135 -5.825 7.894 34.060 1058 HG22 VAL 135 HG22 VAL 135 -5.250 6.568 33.048 1059 HG23 VAL 135 HG23 VAL 135 -4.388 8.106 33.062 1060 H TRP 136 H TRP 136 -2.745 7.387 32.058 1061 HA TRP 136 HA TRP 136 -0.210 8.746 32.546 1062 HB2 TRP 136 HB2 TRP 136 -1.956 8.628 30.072 1063 HB3 TRP 136 HB3 TRP 136 -0.376 9.404 30.166 1064 HD1 TRP 136 HD1 TRP 136 -2.007 5.943 30.006 1065 HE1 TRP 136 HE1 TRP 136 -0.189 4.193 29.469 1066 HE3 TRP 136 HE3 TRP 136 2.117 8.923 30.409 1067 HZ2 TRP 136 HZ2 TRP 136 2.621 4.106 29.246 1068 HZ3 TRP 136 HZ3 TRP 136 4.329 7.939 30.020 1069 HH2 TRP 136 HH2 TRP 136 4.581 5.575 29.453 1070 H GLU 137 H GLU 137 -0.235 10.717 33.419 1071 HA GLU 137 HA GLU 137 -2.777 11.901 34.008 1072 HB2 GLU 137 HB2 GLU 137 0.012 12.845 34.667 1073 HB3 GLU 137 HB3 GLU 137 -1.473 13.517 35.328 1074 HG2 GLU 137 HG2 GLU 137 -1.997 11.339 36.328 1075 HG3 GLU 137 HG3 GLU 137 -0.477 10.702 35.701 1076 H LYS 138 H LYS 138 -0.044 12.802 31.934 1077 HA LYS 138 HA LYS 138 -1.567 15.194 31.161 1078 HB2 LYS 138 HB2 LYS 138 1.318 14.625 30.491 1079 HB3 LYS 138 HB3 LYS 138 0.460 16.148 30.319 1080 HG2 LYS 138 HG2 LYS 138 0.158 15.913 32.913 1081 HG3 LYS 138 HG3 LYS 138 1.557 14.849 32.761 1082 HD2 LYS 138 HD2 LYS 138 1.343 17.769 32.076 1083 HD3 LYS 138 HD3 LYS 138 2.422 16.994 33.232 1084 HE2 LYS 138 HE2 LYS 138 2.539 16.821 30.225 1085 HE3 LYS 138 HE3 LYS 138 3.683 17.633 31.289 1086 HZ1 LYS 138 HZ1 LYS 138 4.730 15.658 30.823 1087 HZ2 LYS 138 HZ2 LYS 138 3.304 14.754 30.814 1088 HZ3 LYS 138 HZ3 LYS 138 3.969 15.278 32.291 1089 H ARG 139 H ARG 139 -2.539 15.246 29.266 1090 HA ARG 139 HA ARG 139 -1.767 13.244 27.264 1091 HB2 ARG 139 HB2 ARG 139 -4.287 14.909 27.442 1092 HB3 ARG 139 HB3 ARG 139 -3.941 13.702 26.209 1093 HG2 ARG 139 HG2 ARG 139 -3.922 11.953 27.900 1094 HG3 ARG 139 HG3 ARG 139 -4.222 13.150 29.161 1095 HD2 ARG 139 HD2 ARG 139 -6.359 13.713 28.117 1096 HD3 ARG 139 HD3 ARG 139 -6.057 12.527 26.849 1097 HE ARG 139 HE ARG 139 -6.097 11.578 29.608 1098 HH11 ARG 139 HH11 ARG 139 -7.753 11.891 26.543 1099 HH12 ARG 139 HH12 ARG 139 -8.863 10.593 26.869 1100 HH21 ARG 139 HH21 ARG 139 -7.623 9.905 30.067 1101 HH22 ARG 139 HH22 ARG 139 -8.801 9.480 28.863 1102 H LYS 140 H LYS 140 0.022 14.301 26.442 1103 HA LYS 140 HA LYS 140 -0.051 17.035 25.612 1104 HB2 LYS 140 HB2 LYS 140 2.023 15.704 26.227 1105 HB3 LYS 140 HB3 LYS 140 1.869 14.895 24.675 1106 HG2 LYS 140 HG2 LYS 140 3.476 16.644 24.462 1107 HG3 LYS 140 HG3 LYS 140 2.031 17.112 23.567 1108 HD2 LYS 140 HD2 LYS 140 1.322 18.521 25.415 1109 HD3 LYS 140 HD3 LYS 140 2.729 18.024 26.355 1110 HE2 LYS 140 HE2 LYS 140 4.190 19.028 24.646 1111 HE3 LYS 140 HE3 LYS 140 2.762 19.555 23.756 1112 HZ1 LYS 140 HZ1 LYS 140 3.602 21.363 25.084 1113 HZ2 LYS 140 HZ2 LYS 140 3.555 20.419 26.490 1114 HZ3 LYS 140 HZ3 LYS 140 2.115 20.862 25.724 1115 H ILE 141 H ILE 141 -0.868 17.833 23.760 1116 HA ILE 141 HA ILE 141 -1.580 15.871 21.691 1117 HB ILE 141 HB ILE 141 -3.566 16.570 22.963 1118 HG12 ILE 141 HG12 ILE 141 -3.505 17.590 20.117 1119 HG13 ILE 141 HG13 ILE 141 -3.779 15.921 20.608 1120 HG21 ILE 141 HG21 ILE 141 -4.424 18.864 22.728 1121 HG22 ILE 141 HG22 ILE 141 -2.911 19.321 21.946 1122 HG23 ILE 141 HG23 ILE 141 -2.909 18.789 23.627 1123 HD11 ILE 141 HD11 ILE 141 -5.860 17.014 20.017 1124 HD12 ILE 141 HD12 ILE 141 -5.566 18.262 21.228 1125 HD13 ILE 141 HD13 ILE 141 -5.841 16.594 21.730 1126 H PHE 142 H PHE 142 -0.752 16.237 19.821 1127 HA PHE 142 HA PHE 142 0.069 18.970 19.096 1128 HB2 PHE 142 HB2 PHE 142 1.221 16.278 18.376 1129 HB3 PHE 142 HB3 PHE 142 1.567 17.705 17.414 1130 HD1 PHE 142 HD1 PHE 142 1.664 16.583 20.983 1131 HD2 PHE 142 HD2 PHE 142 3.458 18.885 17.885 1132 HE1 PHE 142 HE1 PHE 142 3.534 17.134 22.476 1133 HE2 PHE 142 HE2 PHE 142 5.332 19.440 19.378 1134 HZ PHE 142 HZ PHE 142 5.370 18.563 21.678 1135 H VAL 143 H VAL 143 -1.499 19.808 17.833 1136 HA VAL 143 HA VAL 143 -2.793 18.057 15.859 1137 HB VAL 143 HB VAL 143 -3.536 20.866 16.677 1138 HG11 VAL 143 HG11 VAL 143 -4.967 18.882 14.924 1139 HG12 VAL 143 HG12 VAL 143 -4.196 20.378 14.397 1140 HG13 VAL 143 HG13 VAL 143 -5.613 20.438 15.445 1141 HG21 VAL 143 HG21 VAL 143 -3.892 19.253 18.483 1142 HG22 VAL 143 HG22 VAL 143 -4.847 18.249 17.389 1143 HG23 VAL 143 HG23 VAL 143 -5.418 19.856 17.838 1144 H ALA 144 H ALA 144 -1.638 17.925 14.102 1145 HA ALA 144 HA ALA 144 -0.437 20.363 12.987 1146 HB1 ALA 144 HB1 ALA 144 0.110 17.483 12.276 1147 HB2 ALA 144 HB2 ALA 144 1.091 18.477 13.353 1148 HB3 ALA 144 HB3 ALA 144 0.958 18.895 11.646 1149 H THR 145 H THR 145 -1.674 21.356 11.553 1150 HA THR 145 HA THR 145 -3.724 19.880 10.123 1151 HB THR 145 HB THR 145 -3.136 22.830 9.860 1152 HG1 THR 145 HG1 THR 145 -4.074 21.417 12.023 1153 HG21 THR 145 HG21 THR 145 -4.712 21.949 8.234 1154 HG22 THR 145 HG22 THR 145 -5.580 22.932 9.417 1155 HG23 THR 145 HG23 THR 145 -5.644 21.172 9.516 1156 H GLU 146 H GLU 146 -3.772 19.539 7.950 1157 HA GLU 146 HA GLU 146 -1.328 19.151 6.652 1158 HB2 GLU 146 HB2 GLU 146 -3.545 17.952 6.283 1159 HB3 GLU 146 HB3 GLU 146 -4.001 19.314 5.270 1160 HG2 GLU 146 HG2 GLU 146 -2.207 18.861 3.754 1161 HG3 GLU 146 HG3 GLU 146 -1.560 17.619 4.824 1162 H VAL 147 H VAL 147 -0.048 20.523 5.744 1163 HA VAL 147 HA VAL 147 -1.135 22.995 4.599 1164 HB VAL 147 HB VAL 147 0.224 23.549 6.491 1165 HG11 VAL 147 HG11 VAL 147 1.442 21.405 6.600 1166 HG12 VAL 147 HG12 VAL 147 2.479 22.817 6.817 1167 HG13 VAL 147 HG13 VAL 147 2.466 21.957 5.272 1168 HG21 VAL 147 HG21 VAL 147 1.987 24.898 5.497 1169 HG22 VAL 147 HG22 VAL 147 0.503 24.996 4.545 1170 HG23 VAL 147 HG23 VAL 147 1.844 23.993 3.989 1171 H LYS 148 H LYS 148 -0.658 23.458 2.523 1172 HA LYS 148 HA LYS 148 0.509 21.310 0.985 1173 HB2 LYS 148 HB2 LYS 148 -0.218 22.808 -0.961 1174 HB3 LYS 148 HB3 LYS 148 -1.474 22.099 0.044 1175 HG2 LYS 148 HG2 LYS 148 -1.597 24.248 1.294 1176 HG3 LYS 148 HG3 LYS 148 -0.462 24.935 0.134 1177 HD2 LYS 148 HD2 LYS 148 -2.780 25.487 -0.407 1178 HD3 LYS 148 HD3 LYS 148 -2.033 24.513 -1.672 1179 HE2 LYS 148 HE2 LYS 148 -4.296 23.739 -1.234 1180 HE3 LYS 148 HE3 LYS 148 -3.121 22.511 -0.761 1181 HZ1 LYS 148 HZ1 LYS 148 -4.874 22.771 0.889 1182 HZ2 LYS 148 HZ2 LYS 148 -4.473 24.404 1.093 1183 HZ3 LYS 148 HZ3 LYS 148 -3.369 23.197 1.537 1184 H1 JPT 201 H7 UNK 201 -3.789 8.298 27.791 1185 H11 JPT 201 H11 UNK 201 -3.727 5.818 28.457 1186 H12 JPT 201 H12 UNK 201 -1.235 4.556 24.752 1187 H13 JPT 201 H13 UNK 201 -2.096 7.015 24.622 1188 H62 JPT 201 H62 UNK 201 -5.253 6.824 22.690 1189 H61 JPT 201 H61 UNK 201 -7.023 6.697 22.711 1190 H3 JPT 201 H3 UNK 201 -7.127 8.975 22.168 1191 H4 JPT 201 H4 UNK 201 -6.966 8.010 28.587 1192 H2 JPT 201 H2 UNK 201 -8.341 7.911 24.371 Start of MODEL 3 1 HA MET 1 HA MET 1 -9.251 6.199 -9.804 2 HB2 MET 1 HB2 MET 1 -8.714 3.777 -9.826 3 HB3 MET 1 HB3 MET 1 -7.086 4.148 -9.279 4 HG2 MET 1 HG2 MET 1 -7.984 5.056 -7.203 5 HG3 MET 1 HG3 MET 1 -9.622 4.709 -7.753 6 HE1 MET 1 HE1 MET 1 -10.133 3.361 -5.532 7 HE2 MET 1 HE2 MET 1 -8.509 3.727 -4.950 8 HE3 MET 1 HE3 MET 1 -9.105 2.068 -4.913 9 H GLN 2 H GLN 2 -8.918 7.564 -8.110 10 HA GLN 2 HA GLN 2 -6.521 9.093 -7.986 11 HB2 GLN 2 HB2 GLN 2 -8.703 8.868 -5.911 12 HB3 GLN 2 HB3 GLN 2 -7.469 10.115 -5.983 13 HG2 GLN 2 HG2 GLN 2 -8.408 10.894 -8.116 14 HG3 GLN 2 HG3 GLN 2 -9.673 9.669 -7.988 15 HE21 GLN 2 HE21 GLN 2 -11.359 11.112 -7.855 16 HE22 GLN 2 HE22 GLN 2 -11.617 12.127 -6.472 17 H ALA 3 H ALA 3 -5.873 9.440 -5.411 18 HA ALA 3 HA ALA 3 -4.950 6.787 -4.526 19 HB1 ALA 3 HB1 ALA 3 -3.586 9.460 -4.278 20 HB2 ALA 3 HB2 ALA 3 -3.102 8.123 -5.322 21 HB3 ALA 3 HB3 ALA 3 -3.001 7.954 -3.568 22 H LYS 4 H LYS 4 -6.453 6.317 -3.023 23 HA LYS 4 HA LYS 4 -6.524 8.063 -0.677 24 HB2 LYS 4 HB2 LYS 4 -8.936 6.632 -1.774 25 HB3 LYS 4 HB3 LYS 4 -8.890 7.597 -0.310 26 HG2 LYS 4 HG2 LYS 4 -8.198 9.533 -1.827 27 HG3 LYS 4 HG3 LYS 4 -8.723 8.506 -3.162 28 HD2 LYS 4 HD2 LYS 4 -10.550 9.935 -2.559 29 HD3 LYS 4 HD3 LYS 4 -10.942 8.297 -2.026 30 HE2 LYS 4 HE2 LYS 4 -10.294 8.845 0.242 31 HE3 LYS 4 HE3 LYS 4 -9.777 10.451 -0.266 32 HZ1 LYS 4 HZ1 LYS 4 -12.544 9.385 -0.172 33 HZ2 LYS 4 HZ2 LYS 4 -12.136 10.824 -0.972 34 HZ3 LYS 4 HZ3 LYS 4 -11.895 10.691 0.699 35 HA PRO 5 HA PRO 5 -5.099 3.886 0.477 36 HB2 PRO 5 HB2 PRO 5 -3.864 5.397 2.677 37 HB3 PRO 5 HB3 PRO 5 -3.117 4.312 1.501 38 HG2 PRO 5 HG2 PRO 5 -2.732 6.964 1.403 39 HG3 PRO 5 HG3 PRO 5 -2.846 5.982 -0.070 40 HD2 PRO 5 HD2 PRO 5 -4.919 7.726 1.210 41 HD3 PRO 5 HD3 PRO 5 -4.508 7.541 -0.508 42 H GLN 6 H GLN 6 -5.793 2.521 2.051 43 HA GLN 6 HA GLN 6 -7.623 3.625 4.080 44 HB2 GLN 6 HB2 GLN 6 -7.954 1.066 2.498 45 HB3 GLN 6 HB3 GLN 6 -9.036 1.634 3.761 46 HG2 GLN 6 HG2 GLN 6 -9.730 3.488 2.436 47 HG3 GLN 6 HG3 GLN 6 -8.488 3.158 1.230 48 HE21 GLN 6 HE21 GLN 6 -9.961 2.987 -0.423 49 HE22 GLN 6 HE22 GLN 6 -11.034 1.646 -0.589 50 H ILE 7 H ILE 7 -7.741 2.446 6.051 51 HA ILE 7 HA ILE 7 -5.371 1.033 6.797 52 HB ILE 7 HB ILE 7 -7.971 1.533 8.247 53 HG12 ILE 7 HG12 ILE 7 -6.335 2.742 9.804 54 HG13 ILE 7 HG13 ILE 7 -5.153 2.566 8.514 55 HG21 ILE 7 HG21 ILE 7 -7.209 -0.637 8.981 56 HG22 ILE 7 HG22 ILE 7 -6.926 0.551 10.254 57 HG23 ILE 7 HG23 ILE 7 -5.585 -0.007 9.252 58 HD11 ILE 7 HD11 ILE 7 -6.153 4.747 8.434 59 HD12 ILE 7 HD12 ILE 7 -7.767 4.040 8.362 60 HD13 ILE 7 HD13 ILE 7 -6.646 3.820 7.018 61 HA PRO 8 HA PRO 8 -6.719 -2.894 5.176 62 HB2 PRO 8 HB2 PRO 8 -4.483 -3.959 6.774 63 HB3 PRO 8 HB3 PRO 8 -4.758 -4.041 5.031 64 HG2 PRO 8 HG2 PRO 8 -2.864 -2.465 6.063 65 HG3 PRO 8 HG3 PRO 8 -3.814 -1.972 4.649 66 HD2 PRO 8 HD2 PRO 8 -4.115 -1.145 7.514 67 HD3 PRO 8 HD3 PRO 8 -4.204 -0.154 6.043 68 H LYS 9 H LYS 9 -7.274 -5.026 5.986 69 HA LYS 9 HA LYS 9 -8.671 -4.878 8.502 70 HB2 LYS 9 HB2 LYS 9 -9.501 -7.103 7.940 71 HB3 LYS 9 HB3 LYS 9 -9.655 -6.022 6.563 72 HG2 LYS 9 HG2 LYS 9 -7.525 -7.002 5.676 73 HG3 LYS 9 HG3 LYS 9 -7.621 -8.197 6.969 74 HD2 LYS 9 HD2 LYS 9 -9.730 -7.723 4.867 75 HD3 LYS 9 HD3 LYS 9 -8.549 -9.030 4.845 76 HE2 LYS 9 HE2 LYS 9 -10.576 -8.594 7.034 77 HE3 LYS 9 HE3 LYS 9 -10.791 -9.706 5.684 78 HZ1 LYS 9 HZ1 LYS 9 -8.728 -9.852 7.816 79 HZ2 LYS 9 HZ2 LYS 9 -8.732 -10.838 6.437 80 HZ3 LYS 9 HZ3 LYS 9 -10.010 -10.932 7.547 81 H ASP 10 H ASP 10 -5.579 -5.779 7.520 82 HA ASP 10 HA ASP 10 -5.130 -7.411 9.910 83 HB2 ASP 10 HB2 ASP 10 -4.208 -8.249 7.763 84 HB3 ASP 10 HB3 ASP 10 -3.225 -6.791 7.638 85 H LYS 11 H LYS 11 -4.402 -6.471 11.685 86 HA LYS 11 HA LYS 11 -3.558 -3.683 11.512 87 HB2 LYS 11 HB2 LYS 11 -4.005 -3.664 13.967 88 HB3 LYS 11 HB3 LYS 11 -5.406 -4.050 12.979 89 HG2 LYS 11 HG2 LYS 11 -4.958 -6.459 13.434 90 HG3 LYS 11 HG3 LYS 11 -3.722 -5.945 14.581 91 HD2 LYS 11 HD2 LYS 11 -5.410 -4.710 15.852 92 HD3 LYS 11 HD3 LYS 11 -6.647 -5.211 14.699 93 HE2 LYS 11 HE2 LYS 11 -6.838 -6.664 16.554 94 HE3 LYS 11 HE3 LYS 11 -6.065 -7.588 15.268 95 HZ1 LYS 11 HZ1 LYS 11 -4.924 -8.033 17.285 96 HZ2 LYS 11 HZ2 LYS 11 -4.763 -6.387 17.648 97 HZ3 LYS 11 HZ3 LYS 11 -3.902 -7.055 16.351 98 H SER 12 H SER 12 -1.843 -6.136 11.023 99 HA SER 12 HA SER 12 0.262 -5.530 12.985 100 HB2 SER 12 HB2 SER 12 0.032 -7.894 11.103 101 HB3 SER 12 HB3 SER 12 1.280 -7.660 12.329 102 HG SER 12 HG SER 12 -1.504 -8.081 12.718 103 H LYS 13 H LYS 13 -0.736 -4.450 10.147 104 HA LYS 13 HA LYS 13 1.894 -4.396 8.849 105 HB2 LYS 13 HB2 LYS 13 -0.843 -3.704 7.780 106 HB3 LYS 13 HB3 LYS 13 0.650 -3.559 6.867 107 HG2 LYS 13 HG2 LYS 13 0.996 -5.978 7.093 108 HG3 LYS 13 HG3 LYS 13 -0.544 -6.099 7.948 109 HD2 LYS 13 HD2 LYS 13 -1.685 -5.174 5.976 110 HD3 LYS 13 HD3 LYS 13 -0.136 -5.110 5.130 111 HE2 LYS 13 HE2 LYS 13 0.080 -7.537 5.341 112 HE3 LYS 13 HE3 LYS 13 -1.459 -7.603 6.199 113 HZ1 LYS 13 HZ1 LYS 13 -1.085 -6.685 3.398 114 HZ2 LYS 13 HZ2 LYS 13 -2.566 -6.774 4.223 115 HZ3 LYS 13 HZ3 LYS 13 -1.704 -8.192 3.872 116 H VAL 14 H VAL 14 1.984 -2.237 7.441 117 HA VAL 14 HA VAL 14 1.506 -0.000 9.282 118 HB VAL 14 HB VAL 14 3.877 -0.426 8.936 119 HG11 VAL 14 HG11 VAL 14 4.921 -0.086 6.736 120 HG12 VAL 14 HG12 VAL 14 3.314 -0.017 6.013 121 HG13 VAL 14 HG13 VAL 14 3.868 -1.499 6.795 122 HG21 VAL 14 HG21 VAL 14 2.941 2.078 7.549 123 HG22 VAL 14 HG22 VAL 14 4.568 1.804 8.171 124 HG23 VAL 14 HG23 VAL 14 3.200 1.871 9.282 125 H ALA 15 H ALA 15 0.361 1.718 8.567 126 HA ALA 15 HA ALA 15 -0.789 1.515 5.878 127 HB1 ALA 15 HB1 ALA 15 -1.619 3.183 8.249 128 HB2 ALA 15 HB2 ALA 15 -2.403 1.713 7.667 129 HB3 ALA 15 HB3 ALA 15 -2.431 3.178 6.686 130 H GLY 16 H GLY 16 1.084 3.637 7.939 131 HA2 GLY 16 HA2 GLY 16 2.161 4.985 5.636 132 HA3 GLY 16 HA3 GLY 16 1.141 6.011 6.639 133 H TYR 17 H TYR 17 3.814 6.573 6.249 134 HA TYR 17 HA TYR 17 5.083 5.763 8.777 135 HB2 TYR 17 HB2 TYR 17 6.368 7.066 6.367 136 HB3 TYR 17 HB3 TYR 17 7.196 6.395 7.770 137 HD1 TYR 17 HD1 TYR 17 5.440 5.619 4.656 138 HD2 TYR 17 HD2 TYR 17 7.445 3.989 8.037 139 HE1 TYR 17 HE1 TYR 17 5.576 3.446 3.519 140 HE2 TYR 17 HE2 TYR 17 7.591 1.810 6.906 141 HH TYR 17 HH TYR 17 7.016 1.399 3.620 142 H ILE 18 H ILE 18 5.547 7.250 10.298 143 HA ILE 18 HA ILE 18 4.665 9.990 9.742 144 HB ILE 18 HB ILE 18 3.546 8.959 11.638 145 HG12 ILE 18 HG12 ILE 18 4.077 10.657 13.373 146 HG13 ILE 18 HG13 ILE 18 5.505 11.109 12.448 147 HG21 ILE 18 HG21 ILE 18 6.294 8.628 12.808 148 HG22 ILE 18 HG22 ILE 18 5.179 7.345 12.335 149 HG23 ILE 18 HG23 ILE 18 4.787 8.395 13.696 150 HD11 ILE 18 HD11 ILE 18 3.659 12.641 12.063 151 HD12 ILE 18 HD12 ILE 18 2.661 11.301 11.492 152 HD13 ILE 18 HD13 ILE 18 4.097 11.781 10.588 153 H GLU 19 H GLU 19 6.235 11.228 9.088 154 HA GLU 19 HA GLU 19 8.883 10.925 10.312 155 HB2 GLU 19 HB2 GLU 19 8.185 11.806 7.509 156 HB3 GLU 19 HB3 GLU 19 9.804 11.871 8.194 157 HG2 GLU 19 HG2 GLU 19 9.768 9.440 8.498 158 HG3 GLU 19 HG3 GLU 19 8.160 9.381 7.784 159 H ILE 20 H ILE 20 9.213 12.411 11.711 160 HA ILE 20 HA ILE 20 8.603 15.215 11.047 161 HB ILE 20 HB ILE 20 8.639 14.044 13.841 162 HG12 ILE 20 HG12 ILE 20 6.212 14.918 12.258 163 HG13 ILE 20 HG13 ILE 20 6.718 13.237 12.402 164 HG21 ILE 20 HG21 ILE 20 7.772 16.740 12.800 165 HG22 ILE 20 HG22 ILE 20 9.240 16.403 13.714 166 HG23 ILE 20 HG23 ILE 20 7.663 16.205 14.476 167 HD11 ILE 20 HD11 ILE 20 6.417 13.348 14.815 168 HD12 ILE 20 HD12 ILE 20 4.933 13.772 13.959 169 HD13 ILE 20 HD13 ILE 20 5.929 15.037 14.679 170 HA PRO 21 HA PRO 21 13.147 14.672 11.071 171 HB2 PRO 21 HB2 PRO 21 13.495 17.310 10.183 172 HB3 PRO 21 HB3 PRO 21 13.456 15.861 9.178 173 HG2 PRO 21 HG2 PRO 21 11.311 17.842 9.735 174 HG3 PRO 21 HG3 PRO 21 11.628 16.903 8.266 175 HD2 PRO 21 HD2 PRO 21 9.618 16.289 9.941 176 HD3 PRO 21 HD3 PRO 21 10.525 15.038 9.068 177 H ASP 22 H ASP 22 11.330 17.398 12.365 178 HA ASP 22 HA ASP 22 13.304 18.594 13.920 179 HB2 ASP 22 HB2 ASP 22 10.319 18.418 14.280 180 HB3 ASP 22 HB3 ASP 22 11.346 19.353 15.359 181 H ALA 23 H ALA 23 11.253 15.821 14.595 182 HA ALA 23 HA ALA 23 12.348 15.674 17.316 183 HB1 ALA 23 HB1 ALA 23 10.455 14.214 17.811 184 HB2 ALA 23 HB2 ALA 23 9.942 14.296 16.126 185 HB3 ALA 23 HB3 ALA 23 9.902 15.745 17.129 186 H ASP 24 H ASP 24 13.292 14.729 14.493 187 HA ASP 24 HA ASP 24 14.338 12.986 13.501 188 HB2 ASP 24 HB2 ASP 24 15.741 13.375 15.607 189 HB3 ASP 24 HB3 ASP 24 14.919 11.972 16.281 190 H ILE 25 H ILE 25 11.585 12.693 13.850 191 HA ILE 25 HA ILE 25 11.218 9.854 14.500 192 HB ILE 25 HB ILE 25 9.222 12.078 14.043 193 HG12 ILE 25 HG12 ILE 25 9.954 10.470 16.497 194 HG13 ILE 25 HG13 ILE 25 10.390 12.148 16.195 195 HG21 ILE 25 HG21 ILE 25 8.349 9.962 13.169 196 HG22 ILE 25 HG22 ILE 25 7.487 10.457 14.627 197 HG23 ILE 25 HG23 ILE 25 8.700 9.180 14.711 198 HD11 ILE 25 HD11 ILE 25 8.535 11.977 17.749 199 HD12 ILE 25 HD12 ILE 25 7.596 11.089 16.549 200 HD13 ILE 25 HD13 ILE 25 8.036 12.772 16.256 201 H LYS 26 H LYS 26 10.996 8.370 12.928 202 HA LYS 26 HA LYS 26 10.125 9.190 10.242 203 HB2 LYS 26 HB2 LYS 26 12.569 7.454 10.629 204 HB3 LYS 26 HB3 LYS 26 11.987 8.172 9.138 205 HG2 LYS 26 HG2 LYS 26 13.398 9.841 9.448 206 HG3 LYS 26 HG3 LYS 26 12.481 10.315 10.878 207 HD2 LYS 26 HD2 LYS 26 14.919 8.551 10.720 208 HD3 LYS 26 HD3 LYS 26 14.720 10.066 11.602 209 HE2 LYS 26 HE2 LYS 26 12.996 8.911 13.005 210 HE3 LYS 26 HE3 LYS 26 13.457 7.404 12.220 211 HZ1 LYS 26 HZ1 LYS 26 14.577 7.616 14.307 212 HZ2 LYS 26 HZ2 LYS 26 15.204 9.135 13.890 213 HZ3 LYS 26 HZ3 LYS 26 15.726 7.742 13.069 214 H GLU 27 H GLU 27 8.795 7.771 12.307 215 HA GLU 27 HA GLU 27 9.456 4.949 12.049 216 HB2 GLU 27 HB2 GLU 27 7.363 6.083 13.886 217 HB3 GLU 27 HB3 GLU 27 8.323 4.625 14.081 218 HG2 GLU 27 HG2 GLU 27 9.234 7.470 14.383 219 HG3 GLU 27 HG3 GLU 27 9.092 6.246 15.641 220 HA PRO 28 HA PRO 28 5.774 3.967 9.719 221 HB2 PRO 28 HB2 PRO 28 5.601 1.326 10.267 222 HB3 PRO 28 HB3 PRO 28 6.820 1.988 9.174 223 HG2 PRO 28 HG2 PRO 28 7.085 1.146 12.025 224 HG3 PRO 28 HG3 PRO 28 8.210 0.910 10.676 225 HD2 PRO 28 HD2 PRO 28 8.491 2.872 12.572 226 HD3 PRO 28 HD3 PRO 28 9.132 2.993 10.923 227 H VAL 29 H VAL 29 3.604 3.898 10.117 228 HA VAL 29 HA VAL 29 2.802 3.721 12.941 229 HB VAL 29 HB VAL 29 1.281 4.894 10.601 230 HG11 VAL 29 HG11 VAL 29 -0.230 5.805 12.306 231 HG12 VAL 29 HG12 VAL 29 0.668 4.946 13.558 232 HG13 VAL 29 HG13 VAL 29 -0.215 4.042 12.328 233 HG21 VAL 29 HG21 VAL 29 1.763 7.063 11.656 234 HG22 VAL 29 HG22 VAL 29 3.228 6.230 11.135 235 HG23 VAL 29 HG23 VAL 29 2.781 6.243 12.840 236 H TYR 30 H TYR 30 1.681 2.049 13.634 237 HA TYR 30 HA TYR 30 0.721 0.093 11.682 238 HB2 TYR 30 HB2 TYR 30 1.071 -0.172 14.679 239 HB3 TYR 30 HB3 TYR 30 0.653 -1.473 13.568 240 HD1 TYR 30 HD1 TYR 30 2.398 -1.657 11.514 241 HD2 TYR 30 HD2 TYR 30 3.268 -0.078 15.365 242 HE1 TYR 30 HE1 TYR 30 4.782 -2.126 11.155 243 HE2 TYR 30 HE2 TYR 30 5.657 -0.547 15.025 244 HH TYR 30 HH TYR 30 6.967 -1.338 12.001 245 HA PRO 31 HA PRO 31 -3.233 1.985 12.545 246 HB2 PRO 31 HB2 PRO 31 -4.576 0.908 10.502 247 HB3 PRO 31 HB3 PRO 31 -3.337 2.139 10.231 248 HG2 PRO 31 HG2 PRO 31 -3.118 -0.843 9.991 249 HG3 PRO 31 HG3 PRO 31 -2.562 0.405 8.860 250 HD2 PRO 31 HD2 PRO 31 -0.913 -0.807 10.646 251 HD3 PRO 31 HD3 PRO 31 -0.679 0.866 10.101 252 H GLY 32 H GLY 32 -5.190 1.361 13.467 253 HA2 GLY 32 HA2 GLY 32 -6.586 -0.924 13.299 254 HA3 GLY 32 HA3 GLY 32 -5.319 -1.362 14.435 255 HA PRO 33 HA PRO 33 -8.780 0.576 16.829 256 HB2 PRO 33 HB2 PRO 33 -9.413 -1.499 18.364 257 HB3 PRO 33 HB3 PRO 33 -9.940 -1.408 16.684 258 HG2 PRO 33 HG2 PRO 33 -7.648 -2.943 17.846 259 HG3 PRO 33 HG3 PRO 33 -8.866 -3.483 16.678 260 HD2 PRO 33 HD2 PRO 33 -6.362 -2.612 15.989 261 HD3 PRO 33 HD3 PRO 33 -7.772 -2.528 14.914 262 H ALA 34 H ALA 34 -5.889 0.598 17.178 263 HA ALA 34 HA ALA 34 -4.251 1.010 18.687 264 HB1 ALA 34 HB1 ALA 34 -4.848 1.976 20.833 265 HB2 ALA 34 HB2 ALA 34 -6.520 1.452 20.624 266 HB3 ALA 34 HB3 ALA 34 -5.838 2.670 19.549 267 H THR 35 H THR 35 -3.526 -1.146 18.541 268 HA THR 35 HA THR 35 -4.481 -3.009 20.564 269 HB THR 35 HB THR 35 -3.945 -4.656 19.150 270 HG1 THR 35 HG1 THR 35 -1.873 -5.045 18.496 271 HG21 THR 35 HG21 THR 35 -4.780 -3.078 17.489 272 HG22 THR 35 HG22 THR 35 -3.520 -4.100 16.799 273 HG23 THR 35 HG23 THR 35 -3.152 -2.438 17.261 274 HA PRO 36 HA PRO 36 -1.406 -1.993 23.478 275 HB2 PRO 36 HB2 PRO 36 -1.064 -4.484 24.628 276 HB3 PRO 36 HB3 PRO 36 -2.349 -3.344 25.035 277 HG2 PRO 36 HG2 PRO 36 -2.421 -5.716 23.222 278 HG3 PRO 36 HG3 PRO 36 -3.651 -5.134 24.362 279 HD2 PRO 36 HD2 PRO 36 -3.873 -4.711 21.723 280 HD3 PRO 36 HD3 PRO 36 -4.403 -3.497 22.905 281 H GLU 37 H GLU 37 -0.826 -4.661 21.268 282 HA GLU 37 HA GLU 37 1.995 -4.752 21.999 283 HB2 GLU 37 HB2 GLU 37 0.374 -6.411 20.064 284 HB3 GLU 37 HB3 GLU 37 2.099 -6.624 20.343 285 HG2 GLU 37 HG2 GLU 37 1.572 -7.000 22.758 286 HG3 GLU 37 HG3 GLU 37 -0.134 -7.007 22.319 287 H GLN 38 H GLN 38 -0.036 -3.686 19.305 288 HA GLN 38 HA GLN 38 2.230 -3.089 17.640 289 HB2 GLN 38 HB2 GLN 38 -0.666 -2.258 17.440 290 HB3 GLN 38 HB3 GLN 38 0.557 -1.831 16.251 291 HG2 GLN 38 HG2 GLN 38 -0.340 -4.610 16.978 292 HG3 GLN 38 HG3 GLN 38 -0.718 -3.735 15.494 293 HE21 GLN 38 HE21 GLN 38 0.590 -6.293 15.831 294 HE22 GLN 38 HE22 GLN 38 2.157 -6.152 15.107 295 H LEU 39 H LEU 39 0.291 -1.396 20.003 296 HA LEU 39 HA LEU 39 1.607 1.127 19.554 297 HB2 LEU 39 HB2 LEU 39 -0.708 1.109 20.225 298 HB3 LEU 39 HB3 LEU 39 -0.349 0.104 21.613 299 HG LEU 39 HG LEU 39 0.965 1.952 22.560 300 HD11 LEU 39 HD11 LEU 39 1.543 3.115 20.511 301 HD12 LEU 39 HD12 LEU 39 0.702 4.204 21.615 302 HD13 LEU 39 HD13 LEU 39 -0.154 3.511 20.239 303 HD21 LEU 39 HD21 LEU 39 -0.970 3.336 23.193 304 HD22 LEU 39 HD22 LEU 39 -1.325 1.610 23.266 305 HD23 LEU 39 HD23 LEU 39 -1.909 2.575 21.909 306 H ASN 40 H ASN 40 2.358 -1.752 20.983 307 HA ASN 40 HA ASN 40 3.994 -0.786 23.153 308 HB2 ASN 40 HB2 ASN 40 2.940 -3.035 23.172 309 HB3 ASN 40 HB3 ASN 40 3.909 -3.489 21.780 310 HD21 ASN 40 HD21 ASN 40 3.750 -4.741 24.331 311 HD22 ASN 40 HD22 ASN 40 5.341 -4.741 24.997 312 H ARG 41 H ARG 41 4.592 -2.346 20.018 313 HA ARG 41 HA ARG 41 7.396 -1.687 20.136 314 HB2 ARG 41 HB2 ARG 41 7.586 -2.930 18.071 315 HB3 ARG 41 HB3 ARG 41 6.594 -3.833 19.204 316 HG2 ARG 41 HG2 ARG 41 4.578 -2.975 18.026 317 HG3 ARG 41 HG3 ARG 41 5.650 -2.245 16.829 318 HD2 ARG 41 HD2 ARG 41 6.635 -4.559 16.521 319 HD3 ARG 41 HD3 ARG 41 5.270 -5.157 17.460 320 HE ARG 41 HE ARG 41 3.968 -3.833 15.590 321 HH11 ARG 41 HH11 ARG 41 6.750 -5.928 15.307 322 HH12 ARG 41 HH12 ARG 41 6.368 -6.451 13.695 323 HH21 ARG 41 HH21 ARG 41 3.435 -4.514 13.461 324 HH22 ARG 41 HH22 ARG 41 4.476 -5.636 12.631 325 H GLY 42 H GLY 42 4.529 -0.358 18.718 326 HA2 GLY 42 HA2 GLY 42 6.153 1.771 17.528 327 HA3 GLY 42 HA3 GLY 42 4.977 0.940 16.520 328 H VAL 43 H VAL 43 3.467 2.441 16.159 329 HA VAL 43 HA VAL 43 2.005 3.483 18.460 330 HB VAL 43 HB VAL 43 3.622 5.234 17.773 331 HG11 VAL 43 HG11 VAL 43 2.159 5.162 15.137 332 HG12 VAL 43 HG12 VAL 43 3.840 4.704 15.417 333 HG13 VAL 43 HG13 VAL 43 3.337 6.382 15.623 334 HG21 VAL 43 HG21 VAL 43 1.488 5.859 18.762 335 HG22 VAL 43 HG22 VAL 43 0.755 5.912 17.159 336 HG23 VAL 43 HG23 VAL 43 2.025 7.058 17.585 337 H SER 44 H SER 44 -0.200 3.944 17.979 338 HA SER 44 HA SER 44 -1.112 2.903 15.391 339 HB2 SER 44 HB2 SER 44 -1.221 1.215 17.343 340 HB3 SER 44 HB3 SER 44 -2.513 2.230 17.981 341 HG SER 44 HG SER 44 -2.466 0.984 15.423 342 H PHE 45 H PHE 45 -3.777 3.161 15.676 343 HA PHE 45 HA PHE 45 -4.094 6.056 15.850 344 HB2 PHE 45 HB2 PHE 45 -5.787 3.870 14.647 345 HB3 PHE 45 HB3 PHE 45 -6.343 5.534 14.780 346 HD1 PHE 45 HD1 PHE 45 -5.153 3.317 12.511 347 HD2 PHE 45 HD2 PHE 45 -4.277 7.215 13.981 348 HE1 PHE 45 HE1 PHE 45 -4.040 3.867 10.385 349 HE2 PHE 45 HE2 PHE 45 -3.161 7.770 11.861 350 HZ PHE 45 HZ PHE 45 -3.044 6.099 10.058 351 H ALA 46 H ALA 46 -6.426 6.692 16.614 352 HA ALA 46 HA ALA 46 -6.557 5.891 19.371 353 HB1 ALA 46 HB1 ALA 46 -6.940 8.217 18.709 354 HB2 ALA 46 HB2 ALA 46 -8.324 7.549 19.575 355 HB3 ALA 46 HB3 ALA 46 -8.382 7.725 17.820 356 H GLU 47 H GLU 47 -8.846 5.758 16.640 357 HA GLU 47 HA GLU 47 -9.987 3.346 17.889 358 HB2 GLU 47 HB2 GLU 47 -11.568 5.450 16.398 359 HB3 GLU 47 HB3 GLU 47 -12.212 3.990 17.136 360 HG2 GLU 47 HG2 GLU 47 -11.296 4.899 19.332 361 HG3 GLU 47 HG3 GLU 47 -11.111 6.428 18.479 362 H GLU 48 H GLU 48 -11.507 2.277 16.056 363 HA GLU 48 HA GLU 48 -9.556 1.498 14.079 364 HB2 GLU 48 HB2 GLU 48 -11.051 -0.123 15.273 365 HB3 GLU 48 HB3 GLU 48 -12.406 0.534 14.366 366 HG2 GLU 48 HG2 GLU 48 -11.089 -0.060 12.276 367 HG3 GLU 48 HG3 GLU 48 -10.042 -0.999 13.338 368 H ASN 49 H ASN 49 -12.145 3.712 14.222 369 HA ASN 49 HA ASN 49 -12.787 3.590 11.409 370 HB2 ASN 49 HB2 ASN 49 -14.453 4.196 13.216 371 HB3 ASN 49 HB3 ASN 49 -13.610 5.733 13.374 372 HD21 ASN 49 HD21 ASN 49 -14.163 4.006 10.357 373 HD22 ASN 49 HD22 ASN 49 -15.217 5.184 9.668 374 H GLU 50 H GLU 50 -10.238 4.809 13.083 375 HA GLU 50 HA GLU 50 -9.763 7.313 11.924 376 HB2 GLU 50 HB2 GLU 50 -8.307 5.426 13.498 377 HB3 GLU 50 HB3 GLU 50 -7.301 5.889 12.133 378 HG2 GLU 50 HG2 GLU 50 -6.806 7.334 13.949 379 HG3 GLU 50 HG3 GLU 50 -7.671 8.264 12.730 380 H SER 51 H SER 51 -8.886 7.912 9.988 381 HA SER 51 HA SER 51 -8.433 5.748 8.054 382 HB2 SER 51 HB2 SER 51 -9.770 8.411 7.527 383 HB3 SER 51 HB3 SER 51 -9.473 7.148 6.332 384 HG SER 51 HG SER 51 -11.113 6.928 8.649 385 H LEU 52 H LEU 52 -7.455 7.106 5.933 386 HA LEU 52 HA LEU 52 -5.056 8.384 7.067 387 HB2 LEU 52 HB2 LEU 52 -5.373 6.873 4.471 388 HB3 LEU 52 HB3 LEU 52 -3.881 7.589 5.057 389 HG LEU 52 HG LEU 52 -5.382 5.409 6.512 390 HD11 LEU 52 HD11 LEU 52 -3.657 3.891 5.705 391 HD12 LEU 52 HD12 LEU 52 -2.970 5.187 4.725 392 HD13 LEU 52 HD13 LEU 52 -4.586 4.577 4.372 393 HD21 LEU 52 HD21 LEU 52 -3.288 5.170 7.758 394 HD22 LEU 52 HD22 LEU 52 -3.988 6.777 7.953 395 HD23 LEU 52 HD23 LEU 52 -2.611 6.540 6.876 396 H ASP 53 H ASP 53 -7.738 8.891 4.982 397 HA ASP 53 HA ASP 53 -6.586 11.484 4.195 398 HB2 ASP 53 HB2 ASP 53 -6.762 9.875 2.283 399 HB3 ASP 53 HB3 ASP 53 -8.502 9.848 2.522 400 H ASP 54 H ASP 54 -8.522 10.268 6.288 401 HA ASP 54 HA ASP 54 -10.932 11.804 5.846 402 HB2 ASP 54 HB2 ASP 54 -10.945 9.626 7.098 403 HB3 ASP 54 HB3 ASP 54 -10.030 10.412 8.382 404 H GLN 55 H GLN 55 -11.628 13.444 7.447 405 HA GLN 55 HA GLN 55 -9.651 15.460 7.694 406 HB2 GLN 55 HB2 GLN 55 -12.119 15.834 7.389 407 HB3 GLN 55 HB3 GLN 55 -12.364 15.314 9.048 408 HG2 GLN 55 HG2 GLN 55 -10.410 17.471 8.740 409 HG3 GLN 55 HG3 GLN 55 -12.043 17.887 8.232 410 HE21 GLN 55 HE21 GLN 55 -10.006 17.027 10.891 411 HE22 GLN 55 HE22 GLN 55 -11.124 17.431 12.149 412 H ASN 56 H ASN 56 -10.726 12.899 9.784 413 HA ASN 56 HA ASN 56 -9.218 14.075 12.031 414 HB2 ASN 56 HB2 ASN 56 -11.213 11.802 12.125 415 HB3 ASN 56 HB3 ASN 56 -10.464 12.603 13.500 416 HD21 ASN 56 HD21 ASN 56 -12.870 12.786 11.036 417 HD22 ASN 56 HD22 ASN 56 -13.703 14.167 11.665 418 H ILE 57 H ILE 57 -7.160 13.357 12.001 419 HA ILE 57 HA ILE 57 -6.783 10.445 11.735 420 HB ILE 57 HB ILE 57 -4.556 12.424 11.292 421 HG12 ILE 57 HG12 ILE 57 -6.399 12.878 9.686 422 HG13 ILE 57 HG13 ILE 57 -4.931 12.304 8.905 423 HG21 ILE 57 HG21 ILE 57 -4.962 9.550 10.457 424 HG22 ILE 57 HG22 ILE 57 -3.930 10.117 11.768 425 HG23 ILE 57 HG23 ILE 57 -3.540 10.531 10.099 426 HD11 ILE 57 HD11 ILE 57 -5.935 10.065 8.760 427 HD12 ILE 57 HD12 ILE 57 -6.856 11.295 7.893 428 HD13 ILE 57 HD13 ILE 57 -7.416 10.716 9.462 429 H SER 58 H SER 58 -7.087 10.031 13.862 430 HA SER 58 HA SER 58 -5.549 11.501 15.853 431 HB2 SER 58 HB2 SER 58 -7.476 9.239 16.370 432 HB3 SER 58 HB3 SER 58 -6.970 10.516 17.478 433 HG SER 58 HG SER 58 -8.879 10.540 15.465 434 H ILE 59 H ILE 59 -3.493 10.830 16.098 435 HA ILE 59 HA ILE 59 -2.937 7.943 16.052 436 HB ILE 59 HB ILE 59 -0.973 10.245 15.987 437 HG12 ILE 59 HG12 ILE 59 -1.936 8.441 13.750 438 HG13 ILE 59 HG13 ILE 59 -2.327 10.148 13.939 439 HG21 ILE 59 HG21 ILE 59 0.682 8.539 15.396 440 HG22 ILE 59 HG22 ILE 59 -0.544 7.284 15.566 441 HG23 ILE 59 HG23 ILE 59 -0.038 8.218 16.973 442 HD11 ILE 59 HD11 ILE 59 0.408 8.998 13.433 443 HD12 ILE 59 HD12 ILE 59 0.043 10.707 13.669 444 HD13 ILE 59 HD13 ILE 59 -0.607 9.852 12.270 445 H ALA 60 H ALA 60 -2.667 6.915 17.913 446 HA ALA 60 HA ALA 60 -2.536 8.521 20.361 447 HB1 ALA 60 HB1 ALA 60 -4.375 6.906 20.146 448 HB2 ALA 60 HB2 ALA 60 -3.317 6.531 21.507 449 HB3 ALA 60 HB3 ALA 60 -3.195 5.599 20.013 450 H GLY 61 H GLY 61 -0.587 8.807 21.229 451 HA2 GLY 61 HA2 GLY 61 1.329 6.566 21.076 452 HA3 GLY 61 HA3 GLY 61 1.822 8.246 20.925 453 H HIS 62 H HIS 62 3.046 6.699 22.765 454 HA HIS 62 HA HIS 62 2.347 8.036 25.225 455 HB2 HIS 62 HB2 HIS 62 2.110 6.058 26.587 456 HB3 HIS 62 HB3 HIS 62 0.963 5.931 25.259 457 HD1 HIS 62 HD1 HIS 62 3.934 4.285 26.754 458 HD2 HIS 62 HD2 HIS 62 1.623 3.961 23.310 459 HE1 HIS 62 HE1 HIS 62 4.553 2.070 25.725 460 H THR 63 H THR 63 4.079 7.983 26.741 461 HA THR 63 HA THR 63 6.652 7.489 25.519 462 HB THR 63 HB THR 63 6.077 8.463 28.327 463 HG1 THR 63 HG1 THR 63 6.352 9.881 25.869 464 HG21 THR 63 HG21 THR 63 8.497 8.829 26.541 465 HG22 THR 63 HG22 THR 63 8.398 7.720 27.914 466 HG23 THR 63 HG23 THR 63 8.299 9.461 28.178 467 H PHE 64 H PHE 64 8.108 5.951 26.103 468 HA PHE 64 HA PHE 64 7.319 4.043 28.202 469 HB2 PHE 64 HB2 PHE 64 7.045 3.127 25.865 470 HB3 PHE 64 HB3 PHE 64 8.783 3.312 25.659 471 HD1 PHE 64 HD1 PHE 64 6.354 1.787 28.045 472 HD2 PHE 64 HD2 PHE 64 10.115 1.490 26.079 473 HE1 PHE 64 HE1 PHE 64 6.695 -0.433 29.045 474 HE2 PHE 64 HE2 PHE 64 10.463 -0.732 27.077 475 HZ PHE 64 HZ PHE 64 8.753 -1.696 28.563 476 H ILE 65 H ILE 65 8.637 4.331 29.803 477 HA ILE 65 HA ILE 65 10.840 5.965 29.876 478 HB ILE 65 HB ILE 65 10.229 3.654 31.718 479 HG12 ILE 65 HG12 ILE 65 9.443 6.565 31.975 480 HG13 ILE 65 HG13 ILE 65 8.374 5.304 31.372 481 HG21 ILE 65 HG21 ILE 65 12.493 4.458 32.027 482 HG22 ILE 65 HG22 ILE 65 11.487 4.925 33.399 483 HG23 ILE 65 HG23 ILE 65 11.911 6.115 32.168 484 HD11 ILE 65 HD11 ILE 65 7.926 5.806 33.701 485 HD12 ILE 65 HD12 ILE 65 9.593 5.410 34.119 486 HD13 ILE 65 HD13 ILE 65 8.514 4.155 33.513 487 H ASP 66 H ASP 66 10.792 2.491 29.287 488 HA ASP 66 HA ASP 66 13.531 2.111 29.970 489 HB2 ASP 66 HB2 ASP 66 11.768 0.380 30.197 490 HB3 ASP 66 HB3 ASP 66 11.701 0.266 28.443 491 H ARG 67 H ARG 67 11.968 3.079 27.036 492 HA ARG 67 HA ARG 67 14.381 2.340 25.511 493 HB2 ARG 67 HB2 ARG 67 11.615 2.944 24.458 494 HB3 ARG 67 HB3 ARG 67 13.011 2.507 23.484 495 HG2 ARG 67 HG2 ARG 67 13.091 0.325 24.595 496 HG3 ARG 67 HG3 ARG 67 11.667 0.766 25.539 497 HD2 ARG 67 HD2 ARG 67 10.553 1.193 23.258 498 HD3 ARG 67 HD3 ARG 67 11.892 0.256 22.594 499 HE ARG 67 HE ARG 67 11.054 -1.434 24.422 500 HH11 ARG 67 HH11 ARG 67 9.201 0.468 22.147 501 HH12 ARG 67 HH12 ARG 67 7.803 -0.559 22.228 502 HH21 ARG 67 HH21 ARG 67 9.253 -2.807 24.517 503 HH22 ARG 67 HH22 ARG 67 7.837 -2.449 23.562 504 HA PRO 68 HA PRO 68 14.923 6.765 25.074 505 HB2 PRO 68 HB2 PRO 68 17.441 6.738 24.300 506 HB3 PRO 68 HB3 PRO 68 17.022 6.144 25.917 507 HG2 PRO 68 HG2 PRO 68 17.619 4.594 23.421 508 HG3 PRO 68 HG3 PRO 68 18.153 4.283 25.086 509 HD2 PRO 68 HD2 PRO 68 15.976 3.064 23.828 510 HD3 PRO 68 HD3 PRO 68 16.252 3.123 25.581 511 H ASN 69 H ASN 69 14.637 4.482 22.607 512 HA ASN 69 HA ASN 69 14.789 6.534 20.545 513 HB2 ASN 69 HB2 ASN 69 17.019 5.160 20.880 514 HB3 ASN 69 HB3 ASN 69 16.149 3.930 19.972 515 HD21 ASN 69 HD21 ASN 69 16.006 7.438 19.623 516 HD22 ASN 69 HD22 ASN 69 16.590 7.476 17.990 517 H TYR 70 H TYR 70 12.481 6.146 20.775 518 HA TYR 70 HA TYR 70 11.657 4.075 18.880 519 HB2 TYR 70 HB2 TYR 70 9.720 3.455 20.248 520 HB3 TYR 70 HB3 TYR 70 11.212 3.162 21.137 521 HD1 TYR 70 HD1 TYR 70 11.928 4.859 22.870 522 HD2 TYR 70 HD2 TYR 70 8.052 4.858 21.125 523 HE1 TYR 70 HE1 TYR 70 11.107 6.265 24.704 524 HE2 TYR 70 HE2 TYR 70 7.221 6.263 22.959 525 HH TYR 70 HH TYR 70 9.234 7.902 25.050 526 H GLN 71 H GLN 71 8.938 4.591 18.978 527 HA GLN 71 HA GLN 71 8.575 6.439 17.041 528 HB2 GLN 71 HB2 GLN 71 6.479 6.068 19.164 529 HB3 GLN 71 HB3 GLN 71 6.257 6.330 17.443 530 HG2 GLN 71 HG2 GLN 71 7.328 3.836 18.740 531 HG3 GLN 71 HG3 GLN 71 5.719 4.056 18.060 532 HE21 GLN 71 HE21 GLN 71 5.472 4.154 15.824 533 HE22 GLN 71 HE22 GLN 71 6.688 3.570 14.747 534 H PHE 72 H PHE 72 7.283 7.243 20.269 535 HA PHE 72 HA PHE 72 7.870 10.049 19.638 536 HB2 PHE 72 HB2 PHE 72 5.778 8.889 21.485 537 HB3 PHE 72 HB3 PHE 72 6.087 10.610 21.281 538 HD1 PHE 72 HD1 PHE 72 6.486 10.700 18.325 539 HD2 PHE 72 HD2 PHE 72 3.603 8.672 20.707 540 HE1 PHE 72 HE1 PHE 72 4.893 10.773 16.451 541 HE2 PHE 72 HE2 PHE 72 2.006 8.739 18.838 542 HZ PHE 72 HZ PHE 72 2.649 9.791 16.710 543 H THR 73 H THR 73 10.040 9.738 20.380 544 HA THR 73 HA THR 73 10.262 9.702 23.327 545 HB THR 73 HB THR 73 12.645 9.481 21.518 546 HG1 THR 73 HG1 THR 73 11.268 7.886 20.697 547 HG21 THR 73 HG21 THR 73 12.986 9.700 23.922 548 HG22 THR 73 HG22 THR 73 13.488 8.103 23.369 549 HG23 THR 73 HG23 THR 73 11.948 8.303 24.208 550 H ASN 74 H ASN 74 11.591 11.214 20.409 551 HA ASN 74 HA ASN 74 12.507 13.507 21.969 552 HB2 ASN 74 HB2 ASN 74 14.049 12.310 20.393 553 HB3 ASN 74 HB3 ASN 74 13.018 12.822 19.064 554 HD21 ASN 74 HD21 ASN 74 14.700 13.949 18.098 555 HD22 ASN 74 HD22 ASN 74 15.275 15.460 18.726 556 H LEU 75 H LEU 75 9.668 12.859 21.133 557 HA LEU 75 HA LEU 75 8.840 14.603 19.078 558 HB2 LEU 75 HB2 LEU 75 7.521 12.690 19.898 559 HB3 LEU 75 HB3 LEU 75 7.252 13.536 21.410 560 HG LEU 75 HG LEU 75 6.001 15.282 20.213 561 HD11 LEU 75 HD11 LEU 75 5.376 14.966 17.879 562 HD12 LEU 75 HD12 LEU 75 6.397 13.530 17.790 563 HD13 LEU 75 HD13 LEU 75 7.127 15.114 18.048 564 HD21 LEU 75 HD21 LEU 75 5.042 12.480 19.670 565 HD22 LEU 75 HD22 LEU 75 4.041 13.932 19.674 566 HD23 LEU 75 HD23 LEU 75 4.813 13.388 21.164 567 H LYS 76 H LYS 76 9.795 15.205 22.279 568 HA LYS 76 HA LYS 76 8.291 17.547 22.788 569 HB2 LYS 76 HB2 LYS 76 10.144 18.000 24.485 570 HB3 LYS 76 HB3 LYS 76 9.205 16.532 24.686 571 HG2 LYS 76 HG2 LYS 76 11.405 15.895 25.104 572 HG3 LYS 76 HG3 LYS 76 11.103 15.341 23.466 573 HD2 LYS 76 HD2 LYS 76 12.303 17.251 22.571 574 HD3 LYS 76 HD3 LYS 76 12.531 17.898 24.198 575 HE2 LYS 76 HE2 LYS 76 13.817 15.874 24.789 576 HE3 LYS 76 HE3 LYS 76 13.639 15.298 23.133 577 HZ1 LYS 76 HZ1 LYS 76 14.889 17.191 22.347 578 HZ2 LYS 76 HZ2 LYS 76 15.788 16.379 23.533 579 HZ3 LYS 76 HZ3 LYS 76 14.993 17.821 23.915 580 H ALA 77 H ALA 77 10.736 16.968 20.593 581 HA ALA 77 HA ALA 77 11.732 19.707 20.570 582 HB1 ALA 77 HB1 ALA 77 12.416 17.349 18.817 583 HB2 ALA 77 HB2 ALA 77 13.316 17.888 20.234 584 HB3 ALA 77 HB3 ALA 77 13.230 18.914 18.803 585 H ALA 78 H ALA 78 8.910 18.711 19.768 586 HA ALA 78 HA ALA 78 8.812 19.554 16.981 587 HB1 ALA 78 HB1 ALA 78 6.455 18.883 17.098 588 HB2 ALA 78 HB2 ALA 78 6.655 18.522 18.813 589 HB3 ALA 78 HB3 ALA 78 7.538 17.588 17.606 590 H LYS 79 H LYS 79 7.620 21.299 16.231 591 HA LYS 79 HA LYS 79 6.323 23.073 18.108 592 HB2 LYS 79 HB2 LYS 79 7.630 25.075 17.198 593 HB3 LYS 79 HB3 LYS 79 8.436 24.058 18.379 594 HG2 LYS 79 HG2 LYS 79 8.874 23.519 15.486 595 HG3 LYS 79 HG3 LYS 79 9.678 24.900 16.235 596 HD2 LYS 79 HD2 LYS 79 10.601 23.381 17.955 597 HD3 LYS 79 HD3 LYS 79 9.855 22.019 17.116 598 HE2 LYS 79 HE2 LYS 79 11.177 22.563 15.113 599 HE3 LYS 79 HE3 LYS 79 11.954 23.872 16.004 600 HZ1 LYS 79 HZ1 LYS 79 12.904 22.307 17.513 601 HZ2 LYS 79 HZ2 LYS 79 13.262 21.790 15.931 602 HZ3 LYS 79 HZ3 LYS 79 12.039 21.023 16.821 603 H LYS 80 H LYS 80 6.005 25.273 16.534 604 HA LYS 80 HA LYS 80 3.687 24.655 15.255 605 HB2 LYS 80 HB2 LYS 80 3.905 26.886 14.135 606 HB3 LYS 80 HB3 LYS 80 4.116 26.896 15.879 607 HG2 LYS 80 HG2 LYS 80 6.569 26.904 15.531 608 HG3 LYS 80 HG3 LYS 80 6.281 27.042 13.797 609 HD2 LYS 80 HD2 LYS 80 5.347 29.002 15.888 610 HD3 LYS 80 HD3 LYS 80 6.751 29.215 14.841 611 HE2 LYS 80 HE2 LYS 80 5.278 29.141 12.874 612 HE3 LYS 80 HE3 LYS 80 3.883 28.955 13.936 613 HZ1 LYS 80 HZ1 LYS 80 4.153 31.245 13.241 614 HZ2 LYS 80 HZ2 LYS 80 5.721 31.288 13.883 615 HZ3 LYS 80 HZ3 LYS 80 4.387 31.109 14.916 616 H GLY 81 H GLY 81 6.827 25.121 13.593 617 HA2 GLY 81 HA2 GLY 81 5.513 23.921 11.236 618 HA3 GLY 81 HA3 GLY 81 6.806 25.115 11.130 619 H SER 82 H SER 82 6.274 22.003 12.796 620 HA SER 82 HA SER 82 9.023 21.273 12.407 621 HB2 SER 82 HB2 SER 82 6.643 19.868 13.599 622 HB3 SER 82 HB3 SER 82 8.197 19.063 13.398 623 HG SER 82 HG SER 82 9.058 20.999 14.546 624 H MET 83 H MET 83 6.497 21.343 10.344 625 HA MET 83 HA MET 83 5.897 20.301 8.414 626 HB2 MET 83 HB2 MET 83 8.887 20.091 8.431 627 HB3 MET 83 HB3 MET 83 7.956 19.406 7.106 628 HG2 MET 83 HG2 MET 83 7.312 22.178 7.844 629 HG3 MET 83 HG3 MET 83 8.907 21.911 7.147 630 HE1 MET 83 HE1 MET 83 4.944 20.844 4.998 631 HE2 MET 83 HE2 MET 83 5.000 21.719 6.529 632 HE3 MET 83 HE3 MET 83 5.504 20.029 6.460 633 H VAL 84 H VAL 84 4.715 18.688 9.576 634 HA VAL 84 HA VAL 84 5.952 16.138 10.095 635 HB VAL 84 HB VAL 84 3.017 16.855 10.093 636 HG11 VAL 84 HG11 VAL 84 2.766 14.912 11.531 637 HG12 VAL 84 HG12 VAL 84 4.493 14.584 11.406 638 HG13 VAL 84 HG13 VAL 84 3.467 14.463 9.977 639 HG21 VAL 84 HG21 VAL 84 5.012 16.925 12.353 640 HG22 VAL 84 HG22 VAL 84 3.265 17.100 12.536 641 HG23 VAL 84 HG23 VAL 84 4.184 18.306 11.634 642 H TYR 85 H TYR 85 6.431 14.825 8.457 643 HA TYR 85 HA TYR 85 4.802 14.940 6.024 644 HB2 TYR 85 HB2 TYR 85 7.438 13.533 6.506 645 HB3 TYR 85 HB3 TYR 85 6.625 13.713 4.955 646 HD1 TYR 85 HD1 TYR 85 6.195 16.176 4.185 647 HD2 TYR 85 HD2 TYR 85 9.056 15.059 7.127 648 HE1 TYR 85 HE1 TYR 85 7.397 18.288 3.809 649 HE2 TYR 85 HE2 TYR 85 10.270 17.167 6.758 650 HH TYR 85 HH TYR 85 8.951 19.767 5.045 651 H PHE 86 H PHE 86 3.107 13.628 6.095 652 HA PHE 86 HA PHE 86 3.376 11.020 7.386 653 HB2 PHE 86 HB2 PHE 86 1.357 12.464 7.824 654 HB3 PHE 86 HB3 PHE 86 0.901 12.235 6.139 655 HD1 PHE 86 HD1 PHE 86 -0.866 10.796 5.929 656 HD2 PHE 86 HD2 PHE 86 2.130 9.965 8.835 657 HE1 PHE 86 HE1 PHE 86 -2.026 8.710 6.523 658 HE2 PHE 86 HE2 PHE 86 0.975 7.876 9.435 659 HZ PHE 86 HZ PHE 86 -1.107 7.247 8.276 660 H LYS 87 H LYS 87 4.398 9.652 6.119 661 HA LYS 87 HA LYS 87 4.086 9.759 3.236 662 HB2 LYS 87 HB2 LYS 87 6.288 9.373 4.510 663 HB3 LYS 87 HB3 LYS 87 5.699 7.741 4.792 664 HG2 LYS 87 HG2 LYS 87 7.221 7.868 2.880 665 HG3 LYS 87 HG3 LYS 87 5.606 7.331 2.411 666 HD2 LYS 87 HD2 LYS 87 5.071 9.424 1.473 667 HD3 LYS 87 HD3 LYS 87 6.451 10.208 2.242 668 HE2 LYS 87 HE2 LYS 87 6.654 8.079 0.124 669 HE3 LYS 87 HE3 LYS 87 6.747 9.809 -0.193 670 HZ1 LYS 87 HZ1 LYS 87 8.641 8.141 1.365 671 HZ2 LYS 87 HZ2 LYS 87 8.649 9.830 1.431 672 HZ3 LYS 87 HZ3 LYS 87 8.949 9.041 -0.038 673 H VAL 88 H VAL 88 2.044 9.040 2.783 674 HA VAL 88 HA VAL 88 1.384 6.333 3.731 675 HB VAL 88 HB VAL 88 -0.043 7.945 4.827 676 HG11 VAL 88 HG11 VAL 88 -1.613 9.356 3.564 677 HG12 VAL 88 HG12 VAL 88 -0.828 8.859 2.064 678 HG13 VAL 88 HG13 VAL 88 0.071 9.788 3.264 679 HG21 VAL 88 HG21 VAL 88 -1.031 5.817 4.286 680 HG22 VAL 88 HG22 VAL 88 -1.493 6.403 2.688 681 HG23 VAL 88 HG23 VAL 88 -2.242 7.090 4.130 682 H GLY 89 H GLY 89 1.010 4.860 2.250 683 HA2 GLY 89 HA2 GLY 89 0.774 3.862 0.197 684 HA3 GLY 89 HA3 GLY 89 -0.213 5.247 -0.248 685 H ASN 90 H ASN 90 0.601 6.769 -1.571 686 HA ASN 90 HA ASN 90 3.448 6.579 -2.299 687 HB2 ASN 90 HB2 ASN 90 2.892 7.034 -4.615 688 HB3 ASN 90 HB3 ASN 90 1.979 5.630 -4.075 689 HD21 ASN 90 HD21 ASN 90 -0.255 5.791 -3.833 690 HD22 ASN 90 HD22 ASN 90 -1.156 7.108 -4.496 691 H GLU 91 H GLU 91 1.306 8.392 -0.749 692 HA GLU 91 HA GLU 91 2.073 10.951 -1.974 693 HB2 GLU 91 HB2 GLU 91 -0.118 10.412 0.032 694 HB3 GLU 91 HB3 GLU 91 0.173 11.917 -0.824 695 HG2 GLU 91 HG2 GLU 91 -0.396 10.833 -2.932 696 HG3 GLU 91 HG3 GLU 91 -0.676 9.317 -2.074 697 H THR 92 H THR 92 3.394 12.271 -0.959 698 HA THR 92 HA THR 92 3.933 11.843 1.888 699 HB THR 92 HB THR 92 5.371 13.845 0.170 700 HG1 THR 92 HG1 THR 92 6.713 12.274 -0.600 701 HG21 THR 92 HG21 THR 92 6.300 12.110 2.461 702 HG22 THR 92 HG22 THR 92 5.711 13.763 2.640 703 HG23 THR 92 HG23 THR 92 7.183 13.445 1.719 704 H ARG 93 H ARG 93 2.016 12.760 2.718 705 HA ARG 93 HA ARG 93 1.382 15.478 1.872 706 HB2 ARG 93 HB2 ARG 93 -0.686 15.142 3.296 707 HB3 ARG 93 HB3 ARG 93 -0.549 14.133 1.865 708 HG2 ARG 93 HG2 ARG 93 0.222 12.275 3.278 709 HG3 ARG 93 HG3 ARG 93 0.015 13.298 4.702 710 HD2 ARG 93 HD2 ARG 93 -1.929 11.931 4.514 711 HD3 ARG 93 HD3 ARG 93 -2.385 13.570 4.057 712 HE ARG 93 HE ARG 93 -1.693 11.734 1.896 713 HH11 ARG 93 HH11 ARG 93 -4.172 13.440 3.680 714 HH12 ARG 93 HH12 ARG 93 -5.439 13.029 2.558 715 HH21 ARG 93 HH21 ARG 93 -3.386 11.212 0.391 716 HH22 ARG 93 HH22 ARG 93 -4.992 11.805 0.719 717 H LYS 94 H LYS 94 1.699 17.213 3.063 718 HA LYS 94 HA LYS 94 3.264 16.840 5.495 719 HB2 LYS 94 HB2 LYS 94 3.786 19.318 5.139 720 HB3 LYS 94 HB3 LYS 94 4.473 18.177 4.000 721 HG2 LYS 94 HG2 LYS 94 1.888 19.533 3.361 722 HG3 LYS 94 HG3 LYS 94 3.414 20.393 3.154 723 HD2 LYS 94 HD2 LYS 94 4.216 18.561 1.707 724 HD3 LYS 94 HD3 LYS 94 2.651 17.767 1.874 725 HE2 LYS 94 HE2 LYS 94 3.041 20.535 0.749 726 HE3 LYS 94 HE3 LYS 94 2.927 19.076 -0.232 727 HZ1 LYS 94 HZ1 LYS 94 0.804 19.929 1.656 728 HZ2 LYS 94 HZ2 LYS 94 0.702 18.731 0.463 729 HZ3 LYS 94 HZ3 LYS 94 0.820 20.368 0.023 730 H TYR 95 H TYR 95 2.737 17.637 7.425 731 HA TYR 95 HA TYR 95 0.250 19.203 7.665 732 HB2 TYR 95 HB2 TYR 95 1.333 17.075 9.531 733 HB3 TYR 95 HB3 TYR 95 -0.056 18.095 9.885 734 HD1 TYR 95 HD1 TYR 95 1.200 15.444 7.618 735 HD2 TYR 95 HD2 TYR 95 -2.202 17.554 9.048 736 HE1 TYR 95 HE1 TYR 95 -0.271 13.823 6.501 737 HE2 TYR 95 HE2 TYR 95 -3.682 15.936 7.939 738 HH TYR 95 HH TYR 95 -3.618 14.351 6.104 739 H LYS 96 H LYS 96 0.235 20.840 9.277 740 HA LYS 96 HA LYS 96 2.918 21.548 10.294 741 HB2 LYS 96 HB2 LYS 96 1.558 22.985 8.471 742 HB3 LYS 96 HB3 LYS 96 0.876 23.677 9.930 743 HG2 LYS 96 HG2 LYS 96 2.711 25.012 9.208 744 HG3 LYS 96 HG3 LYS 96 3.175 24.185 10.698 745 HD2 LYS 96 HD2 LYS 96 5.033 23.644 9.534 746 HD3 LYS 96 HD3 LYS 96 4.000 22.408 8.815 747 HE2 LYS 96 HE2 LYS 96 5.052 23.494 7.008 748 HE3 LYS 96 HE3 LYS 96 3.405 24.124 7.054 749 HZ1 LYS 96 HZ1 LYS 96 5.867 25.469 8.036 750 HZ2 LYS 96 HZ2 LYS 96 4.304 26.057 8.303 751 HZ3 LYS 96 HZ3 LYS 96 4.897 25.933 6.724 752 H MET 97 H MET 97 3.096 21.981 12.454 753 HA MET 97 HA MET 97 0.782 21.256 14.050 754 HB2 MET 97 HB2 MET 97 3.667 21.804 14.751 755 HB3 MET 97 HB3 MET 97 2.435 21.503 15.970 756 HG2 MET 97 HG2 MET 97 1.997 19.312 15.000 757 HG3 MET 97 HG3 MET 97 3.218 19.611 13.764 758 HE1 MET 97 HE1 MET 97 4.216 17.215 14.519 759 HE2 MET 97 HE2 MET 97 3.082 17.059 15.861 760 HE3 MET 97 HE3 MET 97 4.814 16.876 16.143 761 H THR 98 H THR 98 -0.353 23.214 13.290 762 HA THR 98 HA THR 98 0.584 25.784 14.141 763 HB THR 98 HB THR 98 -0.682 25.809 12.157 764 HG1 THR 98 HG1 THR 98 -2.439 26.731 14.218 765 HG21 THR 98 HG21 THR 98 -1.836 23.706 12.340 766 HG22 THR 98 HG22 THR 98 -3.007 24.983 12.010 767 HG23 THR 98 HG23 THR 98 -2.851 24.333 13.643 768 H SER 99 H SER 99 -1.463 23.329 15.504 769 HA SER 99 HA SER 99 -2.039 25.141 17.752 770 HB2 SER 99 HB2 SER 99 -3.721 22.802 16.845 771 HB3 SER 99 HB3 SER 99 -4.118 23.947 18.122 772 HG SER 99 HG SER 99 -3.662 25.438 16.058 773 H ILE 100 H ILE 100 -0.713 24.635 19.356 774 HA ILE 100 HA ILE 100 -0.221 21.793 19.961 775 HB ILE 100 HB ILE 100 1.744 24.081 20.174 776 HG12 ILE 100 HG12 ILE 100 1.766 21.610 18.428 777 HG13 ILE 100 HG13 ILE 100 1.423 23.247 17.881 778 HG21 ILE 100 HG21 ILE 100 3.361 22.385 20.905 779 HG22 ILE 100 HG22 ILE 100 2.071 21.182 20.931 780 HG23 ILE 100 HG23 ILE 100 2.019 22.556 22.037 781 HD11 ILE 100 HD11 ILE 100 4.029 22.316 19.059 782 HD12 ILE 100 HD12 ILE 100 3.677 23.932 18.449 783 HD13 ILE 100 HD13 ILE 100 3.700 22.558 17.344 784 H ARG 101 H ARG 101 -0.842 21.215 21.955 785 HA ARG 101 HA ARG 101 -0.218 22.808 24.235 786 HB2 ARG 101 HB2 ARG 101 -2.438 23.295 25.059 787 HB3 ARG 101 HB3 ARG 101 -2.247 24.017 23.468 788 HG2 ARG 101 HG2 ARG 101 -3.567 22.264 22.465 789 HG3 ARG 101 HG3 ARG 101 -3.666 21.414 24.007 790 HD2 ARG 101 HD2 ARG 101 -4.820 23.390 24.963 791 HD3 ARG 101 HD3 ARG 101 -4.811 24.126 23.363 792 HE ARG 101 HE ARG 101 -6.052 21.847 22.837 793 HH11 ARG 101 HH11 ARG 101 -6.500 24.053 25.529 794 HH12 ARG 101 HH12 ARG 101 -8.197 23.697 25.698 795 HH21 ARG 101 HH21 ARG 101 -8.280 21.354 23.105 796 HH22 ARG 101 HH22 ARG 101 -9.183 22.146 24.354 797 H ASP 102 H ASP 102 -1.550 21.761 26.230 798 HA ASP 102 HA ASP 102 -1.669 18.862 25.735 799 HB2 ASP 102 HB2 ASP 102 -0.886 18.453 27.998 800 HB3 ASP 102 HB3 ASP 102 0.273 19.471 27.152 801 H VAL 103 H VAL 103 -3.377 17.753 26.567 802 HA VAL 103 HA VAL 103 -5.436 19.347 27.937 803 HB VAL 103 HB VAL 103 -7.173 18.157 26.620 804 HG11 VAL 103 HG11 VAL 103 -6.508 20.399 25.977 805 HG12 VAL 103 HG12 VAL 103 -6.880 19.435 24.548 806 HG13 VAL 103 HG13 VAL 103 -5.202 19.745 24.988 807 HG21 VAL 103 HG21 VAL 103 -5.873 16.198 25.971 808 HG22 VAL 103 HG22 VAL 103 -4.839 17.209 24.962 809 HG23 VAL 103 HG23 VAL 103 -6.542 17.004 24.553 810 H LYS 104 H LYS 104 -7.291 17.672 28.519 811 HA LYS 104 HA LYS 104 -6.000 15.473 29.971 812 HB2 LYS 104 HB2 LYS 104 -8.665 16.840 30.424 813 HB3 LYS 104 HB3 LYS 104 -8.053 15.497 31.377 814 HG2 LYS 104 HG2 LYS 104 -7.642 17.411 32.655 815 HG3 LYS 104 HG3 LYS 104 -6.083 16.992 31.953 816 HD2 LYS 104 HD2 LYS 104 -6.436 19.388 31.833 817 HD3 LYS 104 HD3 LYS 104 -6.444 18.698 30.210 818 HE2 LYS 104 HE2 LYS 104 -8.223 20.316 30.401 819 HE3 LYS 104 HE3 LYS 104 -8.915 18.700 30.259 820 HZ1 LYS 104 HZ1 LYS 104 -9.137 18.696 32.717 821 HZ2 LYS 104 HZ2 LYS 104 -10.079 19.874 31.949 822 HZ3 LYS 104 HZ3 LYS 104 -8.640 20.321 32.732 823 HA PRO 105 HA PRO 105 -8.109 12.415 27.518 824 HB2 PRO 105 HB2 PRO 105 -8.944 11.094 30.038 825 HB3 PRO 105 HB3 PRO 105 -7.993 10.454 28.695 826 HG2 PRO 105 HG2 PRO 105 -6.835 11.061 31.018 827 HG3 PRO 105 HG3 PRO 105 -6.015 11.378 29.477 828 HD2 PRO 105 HD2 PRO 105 -7.451 13.282 31.292 829 HD3 PRO 105 HD3 PRO 105 -5.931 13.505 30.400 830 H THR 106 H THR 106 -9.696 14.075 30.100 831 HA THR 106 HA THR 106 -12.308 13.513 28.866 832 HB THR 106 HB THR 106 -12.142 12.539 31.114 833 HG1 THR 106 HG1 THR 106 -13.866 14.778 30.798 834 HG21 THR 106 HG21 THR 106 -10.496 14.083 32.072 835 HG22 THR 106 HG22 THR 106 -11.930 13.956 33.091 836 HG23 THR 106 HG23 THR 106 -11.703 15.371 32.064 837 H ASP 107 H ASP 107 -10.316 15.631 28.282 838 HA ASP 107 HA ASP 107 -11.176 18.128 29.245 839 HB2 ASP 107 HB2 ASP 107 -9.018 17.838 28.141 840 HB3 ASP 107 HB3 ASP 107 -9.816 17.389 26.641 841 H VAL 108 H VAL 108 -12.395 19.765 28.025 842 HA VAL 108 HA VAL 108 -14.784 18.442 26.995 843 HB VAL 108 HB VAL 108 -15.935 20.596 27.457 844 HG11 VAL 108 HG11 VAL 108 -14.453 19.352 29.769 845 HG12 VAL 108 HG12 VAL 108 -15.991 18.814 29.094 846 HG13 VAL 108 HG13 VAL 108 -15.884 20.374 29.909 847 HG21 VAL 108 HG21 VAL 108 -13.309 21.383 28.723 848 HG22 VAL 108 HG22 VAL 108 -14.814 22.301 28.785 849 HG23 VAL 108 HG23 VAL 108 -13.982 22.073 27.247 850 H GLU 109 H GLU 109 -12.147 20.259 25.915 851 HA GLU 109 HA GLU 109 -13.595 21.370 23.671 852 HB2 GLU 109 HB2 GLU 109 -10.660 21.469 24.365 853 HB3 GLU 109 HB3 GLU 109 -11.387 22.282 22.987 854 HG2 GLU 109 HG2 GLU 109 -12.772 23.607 24.515 855 HG3 GLU 109 HG3 GLU 109 -12.005 22.808 25.886 856 H VAL 110 H VAL 110 -11.506 18.721 24.479 857 HA VAL 110 HA VAL 110 -11.089 17.892 21.746 858 HB VAL 110 HB VAL 110 -10.065 15.892 22.648 859 HG11 VAL 110 HG11 VAL 110 -8.714 17.908 22.597 860 HG12 VAL 110 HG12 VAL 110 -8.281 16.905 23.980 861 HG13 VAL 110 HG13 VAL 110 -9.275 18.343 24.212 862 HG21 VAL 110 HG21 VAL 110 -11.061 16.838 25.333 863 HG22 VAL 110 HG22 VAL 110 -9.963 15.483 25.072 864 HG23 VAL 110 HG23 VAL 110 -11.613 15.414 24.452 865 H LEU 111 H LEU 111 -13.666 17.799 23.823 866 HA LEU 111 HA LEU 111 -14.821 15.337 22.812 867 HB2 LEU 111 HB2 LEU 111 -15.857 17.471 24.671 868 HB3 LEU 111 HB3 LEU 111 -16.814 16.091 24.164 869 HG LEU 111 HG LEU 111 -14.228 15.942 25.713 870 HD11 LEU 111 HD11 LEU 111 -16.039 16.879 27.042 871 HD12 LEU 111 HD12 LEU 111 -15.643 15.245 27.580 872 HD13 LEU 111 HD13 LEU 111 -17.079 15.526 26.594 873 HD21 LEU 111 HD21 LEU 111 -14.784 13.578 25.982 874 HD22 LEU 111 HD22 LEU 111 -14.576 13.995 24.282 875 HD23 LEU 111 HD23 LEU 111 -16.196 13.789 24.946 876 H ASP 112 H ASP 112 -14.311 18.242 21.518 877 HA ASP 112 HA ASP 112 -16.864 18.291 20.053 878 HB2 ASP 112 HB2 ASP 112 -15.972 20.397 21.292 879 HB3 ASP 112 HB3 ASP 112 -14.809 20.487 19.978 880 H GLU 113 H GLU 113 -16.123 19.562 17.797 881 HA GLU 113 HA GLU 113 -14.073 17.851 16.571 882 HB2 GLU 113 HB2 GLU 113 -15.688 17.827 14.558 883 HB3 GLU 113 HB3 GLU 113 -16.063 16.776 15.921 884 HG2 GLU 113 HG2 GLU 113 -17.600 18.523 16.780 885 HG3 GLU 113 HG3 GLU 113 -17.298 19.451 15.311 886 H GLN 114 H GLN 114 -12.548 19.194 15.836 887 HA GLN 114 HA GLN 114 -13.061 21.978 15.529 888 HB2 GLN 114 HB2 GLN 114 -10.589 20.368 14.864 889 HB3 GLN 114 HB3 GLN 114 -10.675 22.120 14.911 890 HG2 GLN 114 HG2 GLN 114 -9.695 21.521 16.928 891 HG3 GLN 114 HG3 GLN 114 -11.365 21.866 17.344 892 HE21 GLN 114 HE21 GLN 114 -12.652 20.226 18.119 893 HE22 GLN 114 HE22 GLN 114 -12.050 18.656 18.518 894 H LYS 115 H LYS 115 -14.728 21.657 13.895 895 HA LYS 115 HA LYS 115 -14.030 20.959 11.234 896 HB2 LYS 115 HB2 LYS 115 -16.270 22.079 10.744 897 HB3 LYS 115 HB3 LYS 115 -16.277 20.672 11.797 898 HG2 LYS 115 HG2 LYS 115 -15.967 22.857 13.503 899 HG3 LYS 115 HG3 LYS 115 -17.185 23.342 12.321 900 HD2 LYS 115 HD2 LYS 115 -18.517 21.418 12.799 901 HD3 LYS 115 HD3 LYS 115 -17.243 20.722 13.799 902 HE2 LYS 115 HE2 LYS 115 -18.634 23.318 14.421 903 HE3 LYS 115 HE3 LYS 115 -19.143 21.761 15.065 904 HZ1 LYS 115 HZ1 LYS 115 -16.677 23.276 15.631 905 HZ2 LYS 115 HZ2 LYS 115 -16.732 21.608 15.886 906 HZ3 LYS 115 HZ3 LYS 115 -17.801 22.622 16.718 907 H GLY 116 H GLY 116 -14.239 22.469 9.396 908 HA2 GLY 116 HA2 GLY 116 -13.877 24.575 8.396 909 HA3 GLY 116 HA3 GLY 116 -13.444 25.225 9.974 910 H LYS 117 H LYS 117 -11.990 22.286 9.549 911 HA LYS 117 HA LYS 117 -9.458 23.552 8.721 912 HB2 LYS 117 HB2 LYS 117 -9.912 21.145 10.500 913 HB3 LYS 117 HB3 LYS 117 -8.348 21.828 10.077 914 HG2 LYS 117 HG2 LYS 117 -10.444 23.440 11.483 915 HG3 LYS 117 HG3 LYS 117 -9.325 22.397 12.358 916 HD2 LYS 117 HD2 LYS 117 -7.431 23.616 11.447 917 HD3 LYS 117 HD3 LYS 117 -8.515 24.609 10.471 918 HE2 LYS 117 HE2 LYS 117 -7.760 25.780 12.493 919 HE3 LYS 117 HE3 LYS 117 -9.508 25.550 12.473 920 HZ1 LYS 117 HZ1 LYS 117 -9.203 23.633 13.943 921 HZ2 LYS 117 HZ2 LYS 117 -8.643 25.063 14.644 922 HZ3 LYS 117 HZ3 LYS 117 -7.543 23.944 14.011 923 H ASP 118 H ASP 118 -7.876 21.756 7.972 924 HA ASP 118 HA ASP 118 -9.187 19.960 6.077 925 HB2 ASP 118 HB2 ASP 118 -7.017 21.450 5.687 926 HB3 ASP 118 HB3 ASP 118 -6.216 20.077 6.446 927 H LYS 119 H LYS 119 -7.047 17.932 6.268 928 HA LYS 119 HA LYS 119 -8.086 16.390 8.403 929 HB2 LYS 119 HB2 LYS 119 -5.329 15.739 7.573 930 HB3 LYS 119 HB3 LYS 119 -6.727 14.693 7.749 931 HG2 LYS 119 HG2 LYS 119 -6.137 16.502 5.438 932 HG3 LYS 119 HG3 LYS 119 -5.948 14.755 5.475 933 HD2 LYS 119 HD2 LYS 119 -8.390 14.553 5.849 934 HD3 LYS 119 HD3 LYS 119 -8.521 16.307 5.660 935 HE2 LYS 119 HE2 LYS 119 -7.758 14.242 3.625 936 HE3 LYS 119 HE3 LYS 119 -9.012 15.479 3.531 937 HZ1 LYS 119 HZ1 LYS 119 -7.232 17.171 3.475 938 HZ2 LYS 119 HZ2 LYS 119 -7.160 16.104 2.152 939 HZ3 LYS 119 HZ3 LYS 119 -6.070 15.934 3.437 940 H GLN 120 H GLN 120 -7.689 16.524 10.464 941 HA GLN 120 HA GLN 120 -5.403 18.097 11.374 942 HB2 GLN 120 HB2 GLN 120 -6.500 18.088 13.587 943 HB3 GLN 120 HB3 GLN 120 -7.526 18.765 12.332 944 HG2 GLN 120 HG2 GLN 120 -8.784 16.679 12.224 945 HG3 GLN 120 HG3 GLN 120 -7.742 15.985 13.465 946 HE21 GLN 120 HE21 GLN 120 -7.934 16.692 15.591 947 HE22 GLN 120 HE22 GLN 120 -9.306 17.592 16.144 948 H LEU 121 H LEU 121 -3.626 16.917 11.476 949 HA LEU 121 HA LEU 121 -3.696 14.137 12.222 950 HB2 LEU 121 HB2 LEU 121 -2.053 15.157 10.588 951 HB3 LEU 121 HB3 LEU 121 -1.277 15.923 11.962 952 HG LEU 121 HG LEU 121 -0.804 13.697 12.918 953 HD11 LEU 121 HD11 LEU 121 -2.668 12.475 11.909 954 HD12 LEU 121 HD12 LEU 121 -1.125 11.701 11.542 955 HD13 LEU 121 HD13 LEU 121 -1.939 12.673 10.316 956 HD21 LEU 121 HD21 LEU 121 0.869 14.808 11.540 957 HD22 LEU 121 HD22 LEU 121 0.164 14.094 10.089 958 HD23 LEU 121 HD23 LEU 121 0.924 13.062 11.300 959 H THR 122 H THR 122 -4.228 13.763 14.253 960 HA THR 122 HA THR 122 -3.462 15.684 16.308 961 HB THR 122 HB THR 122 -5.331 13.317 16.534 962 HG1 THR 122 HG1 THR 122 -5.904 15.020 14.942 963 HG21 THR 122 HG21 THR 122 -5.050 15.808 18.220 964 HG22 THR 122 HG22 THR 122 -4.489 14.200 18.673 965 HG23 THR 122 HG23 THR 122 -6.214 14.505 18.473 966 H LEU 123 H LEU 123 -1.383 15.249 16.866 967 HA LEU 123 HA LEU 123 -0.518 12.559 17.455 968 HB2 LEU 123 HB2 LEU 123 0.800 15.241 17.862 969 HB3 LEU 123 HB3 LEU 123 1.536 13.738 18.364 970 HG LEU 123 HG LEU 123 2.541 14.337 16.312 971 HD11 LEU 123 HD11 LEU 123 1.945 12.496 14.833 972 HD12 LEU 123 HD12 LEU 123 0.452 12.242 15.735 973 HD13 LEU 123 HD13 LEU 123 2.011 11.969 16.514 974 HD21 LEU 123 HD21 LEU 123 0.926 15.958 15.521 975 HD22 LEU 123 HD22 LEU 123 -0.230 14.672 15.176 976 HD23 LEU 123 HD23 LEU 123 1.275 14.776 14.261 977 H ILE 124 H ILE 124 -1.588 11.682 19.124 978 HA ILE 124 HA ILE 124 -2.109 13.272 21.515 979 HB ILE 124 HB ILE 124 -2.867 10.405 20.928 980 HG12 ILE 124 HG12 ILE 124 -4.562 12.903 20.682 981 HG13 ILE 124 HG13 ILE 124 -3.834 12.059 19.319 982 HG21 ILE 124 HG21 ILE 124 -2.838 10.918 23.299 983 HG22 ILE 124 HG22 ILE 124 -4.503 10.750 22.738 984 HG23 ILE 124 HG23 ILE 124 -3.825 12.355 23.020 985 HD11 ILE 124 HD11 ILE 124 -5.861 10.898 21.216 986 HD12 ILE 124 HD12 ILE 124 -5.159 10.085 19.816 987 HD13 ILE 124 HD13 ILE 124 -6.190 11.499 19.590 988 H THR 125 H THR 125 -0.521 13.388 22.973 989 HA THR 125 HA THR 125 1.276 11.070 23.231 990 HB THR 125 HB THR 125 1.900 13.893 24.093 991 HG1 THR 125 HG1 THR 125 1.448 13.607 21.761 992 HG21 THR 125 HG21 THR 125 4.209 13.116 23.996 993 HG22 THR 125 HG22 THR 125 3.671 11.531 23.438 994 HG23 THR 125 HG23 THR 125 3.265 12.077 25.066 995 H CYS 126 H CYS 126 0.178 9.915 24.773 996 HA CYS 126 HA CYS 126 -0.427 11.175 27.329 997 HB2 CYS 126 HB2 CYS 126 -0.697 8.291 26.445 998 HB3 CYS 126 HB3 CYS 126 -1.302 8.961 27.955 999 H ASP 127 H ASP 127 1.380 11.602 28.510 1000 HA ASP 127 HA ASP 127 3.513 9.561 28.473 1001 HB2 ASP 127 HB2 ASP 127 5.149 11.199 28.246 1002 HB3 ASP 127 HB3 ASP 127 3.859 11.805 27.215 1003 H ASP 128 H ASP 128 1.271 10.726 30.489 1004 HA ASP 128 HA ASP 128 3.118 10.881 32.771 1005 HB2 ASP 128 HB2 ASP 128 1.892 13.023 32.056 1006 HB3 ASP 128 HB3 ASP 128 0.449 12.265 32.719 1007 H TYR 129 H TYR 129 2.967 8.844 33.466 1008 HA TYR 129 HA TYR 129 0.564 7.337 33.565 1009 HB2 TYR 129 HB2 TYR 129 2.788 6.305 33.363 1010 HB3 TYR 129 HB3 TYR 129 3.205 6.883 34.970 1011 HD1 TYR 129 HD1 TYR 129 2.326 5.796 36.948 1012 HD2 TYR 129 HD2 TYR 129 1.242 4.443 33.062 1013 HE1 TYR 129 HE1 TYR 129 1.446 3.722 37.927 1014 HE2 TYR 129 HE2 TYR 129 0.356 2.364 34.031 1015 HH TYR 129 HH TYR 129 0.755 0.993 36.118 1016 H ASN 130 H ASN 130 -0.959 7.234 35.061 1017 HA ASN 130 HA ASN 130 -0.594 8.628 37.617 1018 HB2 ASN 130 HB2 ASN 130 -2.614 9.114 36.217 1019 HB3 ASN 130 HB3 ASN 130 -3.108 7.437 36.407 1020 HD21 ASN 130 HD21 ASN 130 -4.485 9.874 37.175 1021 HD22 ASN 130 HD22 ASN 130 -4.750 9.757 38.884 1022 H GLU 131 H GLU 131 -0.016 7.461 39.340 1023 HA GLU 131 HA GLU 131 0.287 4.633 39.161 1024 HB2 GLU 131 HB2 GLU 131 0.605 6.516 41.501 1025 HB3 GLU 131 HB3 GLU 131 1.104 4.830 41.497 1026 HG2 GLU 131 HG2 GLU 131 2.743 5.253 39.806 1027 HG3 GLU 131 HG3 GLU 131 2.157 6.904 39.588 1028 H LYS 132 H LYS 132 -2.217 6.683 40.377 1029 HA LYS 132 HA LYS 132 -3.261 4.906 42.332 1030 HB2 LYS 132 HB2 LYS 132 -3.668 7.558 41.523 1031 HB3 LYS 132 HB3 LYS 132 -5.214 6.754 41.282 1032 HG2 LYS 132 HG2 LYS 132 -3.648 6.685 43.847 1033 HG3 LYS 132 HG3 LYS 132 -4.953 7.816 43.498 1034 HD2 LYS 132 HD2 LYS 132 -6.496 5.936 43.199 1035 HD3 LYS 132 HD3 LYS 132 -5.185 4.810 43.549 1036 HE2 LYS 132 HE2 LYS 132 -4.954 5.811 45.785 1037 HE3 LYS 132 HE3 LYS 132 -6.310 6.880 45.429 1038 HZ1 LYS 132 HZ1 LYS 132 -6.959 4.912 46.723 1039 HZ2 LYS 132 HZ2 LYS 132 -6.453 3.914 45.450 1040 HZ3 LYS 132 HZ3 LYS 132 -7.753 4.981 45.226 1041 H THR 133 H THR 133 -3.562 5.018 38.908 1042 HA THR 133 HA THR 133 -5.685 3.022 39.039 1043 HB THR 133 HB THR 133 -7.066 4.852 38.710 1044 HG1 THR 133 HG1 THR 133 -7.509 3.330 37.086 1045 HG21 THR 133 HG21 THR 133 -5.375 6.543 38.391 1046 HG22 THR 133 HG22 THR 133 -6.597 6.679 37.125 1047 HG23 THR 133 HG23 THR 133 -5.034 5.938 36.774 1048 H GLY 134 H GLY 134 -3.180 4.604 37.129 1049 HA2 GLY 134 HA2 GLY 134 -1.669 3.204 35.878 1050 HA3 GLY 134 HA3 GLY 134 -3.013 2.125 35.542 1051 H VAL 135 H VAL 135 -4.179 5.198 35.211 1052 HA VAL 135 HA VAL 135 -4.044 5.057 32.332 1053 HB VAL 135 HB VAL 135 -5.634 6.849 32.332 1054 HG11 VAL 135 HG11 VAL 135 -6.302 4.852 34.477 1055 HG12 VAL 135 HG12 VAL 135 -6.525 4.639 32.740 1056 HG13 VAL 135 HG13 VAL 135 -7.469 5.850 33.608 1057 HG21 VAL 135 HG21 VAL 135 -6.451 7.850 34.468 1058 HG22 VAL 135 HG22 VAL 135 -4.804 8.302 34.028 1059 HG23 VAL 135 HG23 VAL 135 -5.083 7.085 35.275 1060 H TRP 136 H TRP 136 -3.992 7.538 31.425 1061 HA TRP 136 HA TRP 136 -1.443 8.669 32.371 1062 HB2 TRP 136 HB2 TRP 136 -2.609 8.879 29.586 1063 HB3 TRP 136 HB3 TRP 136 -1.016 9.414 30.108 1064 HD1 TRP 136 HD1 TRP 136 -2.956 6.277 29.140 1065 HE1 TRP 136 HE1 TRP 136 -1.297 4.343 28.774 1066 HE3 TRP 136 HE3 TRP 136 1.297 8.539 30.846 1067 HZ2 TRP 136 HZ2 TRP 136 1.457 3.847 29.172 1068 HZ3 TRP 136 HZ3 TRP 136 3.403 7.267 30.822 1069 HH2 TRP 136 HH2 TRP 136 3.479 4.969 30.000 1070 H GLU 137 H GLU 137 -1.504 10.693 33.111 1071 HA GLU 137 HA GLU 137 -4.068 11.952 33.357 1072 HB2 GLU 137 HB2 GLU 137 -1.318 12.723 34.318 1073 HB3 GLU 137 HB3 GLU 137 -2.752 13.691 34.633 1074 HG2 GLU 137 HG2 GLU 137 -2.332 10.838 35.493 1075 HG3 GLU 137 HG3 GLU 137 -2.197 12.264 36.523 1076 H LYS 138 H LYS 138 -0.983 13.482 32.370 1077 HA LYS 138 HA LYS 138 -2.564 15.426 30.919 1078 HB2 LYS 138 HB2 LYS 138 -0.623 16.777 30.772 1079 HB3 LYS 138 HB3 LYS 138 -0.634 16.097 32.388 1080 HG2 LYS 138 HG2 LYS 138 0.981 14.366 31.530 1081 HG3 LYS 138 HG3 LYS 138 1.129 15.350 30.077 1082 HD2 LYS 138 HD2 LYS 138 1.693 17.285 31.611 1083 HD3 LYS 138 HD3 LYS 138 1.826 16.102 32.910 1084 HE2 LYS 138 HE2 LYS 138 3.459 16.189 30.375 1085 HE3 LYS 138 HE3 LYS 138 4.017 16.597 31.997 1086 HZ1 LYS 138 HZ1 LYS 138 3.273 13.935 30.936 1087 HZ2 LYS 138 HZ2 LYS 138 3.436 14.233 32.600 1088 HZ3 LYS 138 HZ3 LYS 138 4.768 14.430 31.567 1089 H ARG 139 H ARG 139 -2.798 15.571 28.829 1090 HA ARG 139 HA ARG 139 -1.410 13.610 27.130 1091 HB2 ARG 139 HB2 ARG 139 -3.637 12.918 27.190 1092 HB3 ARG 139 HB3 ARG 139 -4.252 14.559 27.249 1093 HG2 ARG 139 HG2 ARG 139 -3.576 14.822 24.868 1094 HG3 ARG 139 HG3 ARG 139 -3.159 13.104 24.855 1095 HD2 ARG 139 HD2 ARG 139 -5.405 12.474 25.333 1096 HD3 ARG 139 HD3 ARG 139 -5.866 14.138 25.676 1097 HE ARG 139 HE ARG 139 -4.937 13.867 23.004 1098 HH11 ARG 139 HH11 ARG 139 -7.678 13.237 25.074 1099 HH12 ARG 139 HH12 ARG 139 -8.848 13.267 23.789 1100 HH21 ARG 139 HH21 ARG 139 -6.474 13.940 21.279 1101 HH22 ARG 139 HH22 ARG 139 -8.153 13.689 21.626 1102 H LYS 140 H LYS 140 0.220 14.888 26.366 1103 HA LYS 140 HA LYS 140 -0.132 17.522 25.373 1104 HB2 LYS 140 HB2 LYS 140 2.094 16.868 25.908 1105 HB3 LYS 140 HB3 LYS 140 1.986 15.418 24.922 1106 HG2 LYS 140 HG2 LYS 140 3.390 17.057 23.849 1107 HG3 LYS 140 HG3 LYS 140 1.927 16.805 22.903 1108 HD2 LYS 140 HD2 LYS 140 1.857 19.054 22.865 1109 HD3 LYS 140 HD3 LYS 140 1.167 18.876 24.477 1110 HE2 LYS 140 HE2 LYS 140 4.126 19.084 24.052 1111 HE3 LYS 140 HE3 LYS 140 3.113 20.521 24.147 1112 HZ1 LYS 140 HZ1 LYS 140 3.254 18.433 26.263 1113 HZ2 LYS 140 HZ2 LYS 140 2.445 19.924 26.348 1114 HZ3 LYS 140 HZ3 LYS 140 4.137 19.881 26.281 1115 H ILE 141 H ILE 141 -0.949 18.196 23.488 1116 HA ILE 141 HA ILE 141 -1.520 16.137 21.473 1117 HB ILE 141 HB ILE 141 -3.533 16.666 22.811 1118 HG12 ILE 141 HG12 ILE 141 -3.592 17.495 19.906 1119 HG13 ILE 141 HG13 ILE 141 -3.836 15.874 20.557 1120 HG21 ILE 141 HG21 ILE 141 -4.643 18.850 22.504 1121 HG22 ILE 141 HG22 ILE 141 -3.188 19.435 21.696 1122 HG23 ILE 141 HG23 ILE 141 -3.121 18.954 23.391 1123 HD11 ILE 141 HD11 ILE 141 -5.892 16.625 21.640 1124 HD12 ILE 141 HD12 ILE 141 -5.942 16.876 19.895 1125 HD13 ILE 141 HD13 ILE 141 -5.650 18.241 20.976 1126 H PHE 142 H PHE 142 -0.655 16.605 19.604 1127 HA PHE 142 HA PHE 142 -0.251 19.429 18.879 1128 HB2 PHE 142 HB2 PHE 142 1.038 16.974 17.653 1129 HB3 PHE 142 HB3 PHE 142 1.388 18.641 17.234 1130 HD1 PHE 142 HD1 PHE 142 2.041 15.923 19.527 1131 HD2 PHE 142 HD2 PHE 142 2.611 20.080 18.833 1132 HE1 PHE 142 HE1 PHE 142 3.866 15.945 21.172 1133 HE2 PHE 142 HE2 PHE 142 4.436 20.111 20.478 1134 HZ PHE 142 HZ PHE 142 5.068 18.039 21.649 1135 H VAL 143 H VAL 143 -1.905 20.141 17.659 1136 HA VAL 143 HA VAL 143 -3.233 18.268 15.833 1137 HB VAL 143 HB VAL 143 -3.995 21.126 16.407 1138 HG11 VAL 143 HG11 VAL 143 -5.499 18.868 15.110 1139 HG12 VAL 143 HG12 VAL 143 -4.850 20.296 14.302 1140 HG13 VAL 143 HG13 VAL 143 -6.165 20.462 15.469 1141 HG21 VAL 143 HG21 VAL 143 -4.135 19.848 18.464 1142 HG22 VAL 143 HG22 VAL 143 -5.061 18.593 17.639 1143 HG23 VAL 143 HG23 VAL 143 -5.754 20.202 17.858 1144 H ALA 144 H ALA 144 -1.893 18.027 14.170 1145 HA ALA 144 HA ALA 144 -0.810 20.395 12.845 1146 HB1 ALA 144 HB1 ALA 144 0.571 18.802 11.580 1147 HB2 ALA 144 HB2 ALA 144 -0.229 17.466 12.408 1148 HB3 ALA 144 HB3 ALA 144 0.765 18.601 13.323 1149 H THR 145 H THR 145 -2.101 21.278 11.401 1150 HA THR 145 HA THR 145 -4.145 19.742 10.053 1151 HB THR 145 HB THR 145 -3.412 22.639 9.583 1152 HG1 THR 145 HG1 THR 145 -4.543 21.410 11.770 1153 HG21 THR 145 HG21 THR 145 -4.934 21.676 7.940 1154 HG22 THR 145 HG22 THR 145 -5.787 22.828 8.968 1155 HG23 THR 145 HG23 THR 145 -5.987 21.097 9.233 1156 H GLU 146 H GLU 146 -4.177 19.183 7.908 1157 HA GLU 146 HA GLU 146 -1.761 18.699 6.587 1158 HB2 GLU 146 HB2 GLU 146 -3.941 17.501 6.201 1159 HB3 GLU 146 HB3 GLU 146 -4.483 18.900 5.285 1160 HG2 GLU 146 HG2 GLU 146 -2.537 18.569 3.764 1161 HG3 GLU 146 HG3 GLU 146 -2.185 17.074 4.629 1162 H VAL 147 H VAL 147 -0.446 20.026 5.561 1163 HA VAL 147 HA VAL 147 -1.338 22.705 4.894 1164 HB VAL 147 HB VAL 147 1.415 21.579 4.398 1165 HG11 VAL 147 HG11 VAL 147 2.120 23.841 4.381 1166 HG12 VAL 147 HG12 VAL 147 0.571 24.398 5.013 1167 HG13 VAL 147 HG13 VAL 147 0.671 23.766 3.366 1168 HG21 VAL 147 HG21 VAL 147 2.057 22.508 6.577 1169 HG22 VAL 147 HG22 VAL 147 0.877 21.202 6.734 1170 HG23 VAL 147 HG23 VAL 147 0.363 22.882 6.898 1171 H LYS 148 H LYS 148 -1.547 23.501 2.885 1172 HA LYS 148 HA LYS 148 -1.913 21.568 0.770 1173 HB2 LYS 148 HB2 LYS 148 -2.333 24.521 0.491 1174 HB3 LYS 148 HB3 LYS 148 -3.226 23.202 -0.251 1175 HG2 LYS 148 HG2 LYS 148 -3.310 23.598 2.709 1176 HG3 LYS 148 HG3 LYS 148 -4.319 24.582 1.648 1177 HD2 LYS 148 HD2 LYS 148 -5.641 22.743 2.356 1178 HD3 LYS 148 HD3 LYS 148 -5.209 22.442 0.675 1179 HE2 LYS 148 HE2 LYS 148 -3.396 20.950 1.457 1180 HE3 LYS 148 HE3 LYS 148 -3.937 21.204 3.114 1181 HZ1 LYS 148 HZ1 LYS 148 -6.084 20.242 2.505 1182 HZ2 LYS 148 HZ2 LYS 148 -4.816 19.148 2.227 1183 HZ3 LYS 148 HZ3 LYS 148 -5.523 19.973 0.924 1184 H1 JPT 201 H7 UNK 201 -3.560 7.875 27.516 1185 H11 JPT 201 H11 UNK 201 -3.419 5.316 27.173 1186 H12 JPT 201 H12 UNK 201 -1.200 5.680 23.115 1187 H13 JPT 201 H13 UNK 201 -2.128 7.957 23.989 1188 H62 JPT 201 H62 UNK 201 -5.447 9.207 22.515 1189 H61 JPT 201 H61 UNK 201 -7.049 8.459 22.360 1190 H3 JPT 201 H3 UNK 201 -7.961 10.346 23.421 1191 H4 JPT 201 H4 UNK 201 -6.554 6.473 28.168 1192 H2 JPT 201 H2 UNK 201 -8.268 7.688 24.267 Start of MODEL 4 1 HA MET 1 HA MET 1 -7.820 11.574 -6.202 2 HB2 MET 1 HB2 MET 1 -8.178 11.660 -9.205 3 HB3 MET 1 HB3 MET 1 -9.404 11.140 -8.058 4 HG2 MET 1 HG2 MET 1 -9.352 13.393 -7.052 5 HG3 MET 1 HG3 MET 1 -8.215 13.891 -8.301 6 HE1 MET 1 HE1 MET 1 -9.325 12.225 -10.779 7 HE2 MET 1 HE2 MET 1 -8.833 13.913 -10.930 8 HE3 MET 1 HE3 MET 1 -10.402 13.392 -11.545 9 H GLN 2 H GLN 2 -5.231 10.339 -7.878 10 HA GLN 2 HA GLN 2 -6.376 7.688 -8.280 11 HB2 GLN 2 HB2 GLN 2 -3.738 8.950 -8.987 12 HB3 GLN 2 HB3 GLN 2 -3.976 7.214 -9.096 13 HG2 GLN 2 HG2 GLN 2 -4.297 8.147 -11.262 14 HG3 GLN 2 HG3 GLN 2 -5.862 7.618 -10.652 15 HE21 GLN 2 HE21 GLN 2 -6.998 8.959 -12.005 16 HE22 GLN 2 HE22 GLN 2 -7.050 10.675 -11.806 17 H ALA 3 H ALA 3 -5.631 9.117 -5.648 18 HA ALA 3 HA ALA 3 -4.364 6.781 -4.446 19 HB1 ALA 3 HB1 ALA 3 -3.377 9.588 -3.976 20 HB2 ALA 3 HB2 ALA 3 -2.552 8.358 -4.934 21 HB3 ALA 3 HB3 ALA 3 -2.781 8.121 -3.201 22 H LYS 4 H LYS 4 -5.978 6.148 -3.148 23 HA LYS 4 HA LYS 4 -6.844 8.087 -1.118 24 HB2 LYS 4 HB2 LYS 4 -8.389 5.904 -2.450 25 HB3 LYS 4 HB3 LYS 4 -8.819 6.424 -0.829 26 HG2 LYS 4 HG2 LYS 4 -9.040 8.747 -1.717 27 HG3 LYS 4 HG3 LYS 4 -8.807 8.086 -3.337 28 HD2 LYS 4 HD2 LYS 4 -10.787 6.740 -3.135 29 HD3 LYS 4 HD3 LYS 4 -10.969 7.189 -1.439 30 HE2 LYS 4 HE2 LYS 4 -11.137 9.090 -3.775 31 HE3 LYS 4 HE3 LYS 4 -12.518 8.414 -2.913 32 HZ1 LYS 4 HZ1 LYS 4 -12.067 10.609 -2.099 33 HZ2 LYS 4 HZ2 LYS 4 -10.444 10.232 -1.795 34 HZ3 LYS 4 HZ3 LYS 4 -11.670 9.502 -0.877 35 HA PRO 5 HA PRO 5 -4.277 5.062 1.095 36 HB2 PRO 5 HB2 PRO 5 -3.863 6.705 3.237 37 HB3 PRO 5 HB3 PRO 5 -2.890 6.763 1.763 38 HG2 PRO 5 HG2 PRO 5 -5.185 8.487 2.589 39 HG3 PRO 5 HG3 PRO 5 -3.655 8.955 1.827 40 HD2 PRO 5 HD2 PRO 5 -5.946 8.732 0.424 41 HD3 PRO 5 HD3 PRO 5 -4.368 8.321 -0.280 42 H GLN 6 H GLN 6 -5.116 3.533 2.325 43 HA GLN 6 HA GLN 6 -7.222 4.177 4.230 44 HB2 GLN 6 HB2 GLN 6 -8.536 2.193 3.340 45 HB3 GLN 6 HB3 GLN 6 -8.537 3.642 2.344 46 HG2 GLN 6 HG2 GLN 6 -6.652 2.577 1.034 47 HG3 GLN 6 HG3 GLN 6 -7.027 1.087 1.900 48 HE21 GLN 6 HE21 GLN 6 -8.141 3.420 -0.421 49 HE22 GLN 6 HE22 GLN 6 -9.432 2.460 -1.065 50 H ILE 7 H ILE 7 -6.957 3.226 6.025 51 HA ILE 7 HA ILE 7 -4.850 1.543 6.693 52 HB ILE 7 HB ILE 7 -7.389 2.373 8.036 53 HG12 ILE 7 HG12 ILE 7 -4.691 2.789 9.178 54 HG13 ILE 7 HG13 ILE 7 -5.082 3.660 7.698 55 HG21 ILE 7 HG21 ILE 7 -5.399 0.427 9.156 56 HG22 ILE 7 HG22 ILE 7 -7.117 0.157 8.870 57 HG23 ILE 7 HG23 ILE 7 -6.598 1.292 10.115 58 HD11 ILE 7 HD11 ILE 7 -5.560 4.984 9.675 59 HD12 ILE 7 HD12 ILE 7 -6.671 3.738 10.248 60 HD13 ILE 7 HD13 ILE 7 -7.029 4.627 8.763 61 HA PRO 8 HA PRO 8 -6.586 -2.460 5.619 62 HB2 PRO 8 HB2 PRO 8 -4.484 -3.945 6.396 63 HB3 PRO 8 HB3 PRO 8 -4.440 -2.972 4.922 64 HG2 PRO 8 HG2 PRO 8 -3.257 -2.399 7.604 65 HG3 PRO 8 HG3 PRO 8 -2.582 -2.102 5.992 66 HD2 PRO 8 HD2 PRO 8 -3.805 -0.182 7.551 67 HD3 PRO 8 HD3 PRO 8 -3.662 -0.101 5.786 68 H LYS 9 H LYS 9 -7.178 -4.416 6.813 69 HA LYS 9 HA LYS 9 -8.048 -3.705 9.465 70 HB2 LYS 9 HB2 LYS 9 -9.332 -5.730 9.422 71 HB3 LYS 9 HB3 LYS 9 -9.480 -4.950 7.854 72 HG2 LYS 9 HG2 LYS 9 -7.885 -6.504 6.897 73 HG3 LYS 9 HG3 LYS 9 -7.644 -7.254 8.476 74 HD2 LYS 9 HD2 LYS 9 -10.228 -7.178 6.925 75 HD3 LYS 9 HD3 LYS 9 -9.162 -8.573 7.096 76 HE2 LYS 9 HE2 LYS 9 -9.564 -8.649 9.471 77 HE3 LYS 9 HE3 LYS 9 -10.497 -7.156 9.401 78 HZ1 LYS 9 HZ1 LYS 9 -11.235 -9.753 8.161 79 HZ2 LYS 9 HZ2 LYS 9 -12.115 -8.313 7.988 80 HZ3 LYS 9 HZ3 LYS 9 -11.966 -9.035 9.515 81 H ASP 10 H ASP 10 -5.363 -5.311 8.164 82 HA ASP 10 HA ASP 10 -4.885 -7.029 10.424 83 HB2 ASP 10 HB2 ASP 10 -4.077 -7.660 8.182 84 HB3 ASP 10 HB3 ASP 10 -3.010 -6.258 8.179 85 H LYS 11 H LYS 11 -3.998 -6.489 12.246 86 HA LYS 11 HA LYS 11 -3.073 -3.780 12.660 87 HB2 LYS 11 HB2 LYS 11 -3.498 -6.103 14.548 88 HB3 LYS 11 HB3 LYS 11 -3.063 -4.476 15.053 89 HG2 LYS 11 HG2 LYS 11 -5.137 -3.600 14.393 90 HG3 LYS 11 HG3 LYS 11 -5.534 -5.029 13.443 91 HD2 LYS 11 HD2 LYS 11 -5.171 -5.107 16.434 92 HD3 LYS 11 HD3 LYS 11 -6.732 -4.805 15.663 93 HE2 LYS 11 HE2 LYS 11 -6.491 -6.941 14.437 94 HE3 LYS 11 HE3 LYS 11 -4.995 -7.248 15.314 95 HZ1 LYS 11 HZ1 LYS 11 -7.553 -6.774 16.725 96 HZ2 LYS 11 HZ2 LYS 11 -6.142 -7.515 17.316 97 HZ3 LYS 11 HZ3 LYS 11 -7.108 -8.314 16.175 98 H SER 12 H SER 12 -1.423 -5.942 11.221 99 HA SER 12 HA SER 12 0.999 -5.551 12.846 100 HB2 SER 12 HB2 SER 12 0.259 -7.909 12.940 101 HB3 SER 12 HB3 SER 12 0.334 -7.991 11.181 102 HG SER 12 HG SER 12 2.644 -7.212 11.618 103 H LYS 13 H LYS 13 -0.422 -4.412 10.268 104 HA LYS 13 HA LYS 13 1.940 -4.547 8.528 105 HB2 LYS 13 HB2 LYS 13 -0.922 -3.807 7.935 106 HB3 LYS 13 HB3 LYS 13 0.393 -3.535 6.799 107 HG2 LYS 13 HG2 LYS 13 0.875 -5.991 6.925 108 HG3 LYS 13 HG3 LYS 13 -0.626 -6.160 7.840 109 HD2 LYS 13 HD2 LYS 13 -1.893 -5.236 5.995 110 HD3 LYS 13 HD3 LYS 13 -0.402 -4.948 5.090 111 HE2 LYS 13 HE2 LYS 13 0.032 -7.350 5.033 112 HE3 LYS 13 HE3 LYS 13 -1.441 -7.647 5.955 113 HZ1 LYS 13 HZ1 LYS 13 -1.331 -6.390 3.266 114 HZ2 LYS 13 HZ2 LYS 13 -2.739 -6.752 4.144 115 HZ3 LYS 13 HZ3 LYS 13 -1.746 -8.006 3.576 116 H VAL 14 H VAL 14 2.186 -2.455 7.202 117 HA VAL 14 HA VAL 14 2.148 -0.191 9.082 118 HB VAL 14 HB VAL 14 3.817 -0.550 6.582 119 HG11 VAL 14 HG11 VAL 14 3.948 1.557 8.735 120 HG12 VAL 14 HG12 VAL 14 3.352 1.792 7.094 121 HG13 VAL 14 HG13 VAL 14 5.050 1.406 7.367 122 HG21 VAL 14 HG21 VAL 14 4.476 -2.118 8.338 123 HG22 VAL 14 HG22 VAL 14 4.620 -0.786 9.484 124 HG23 VAL 14 HG23 VAL 14 5.708 -0.880 8.099 125 H ALA 15 H ALA 15 0.609 1.260 8.748 126 HA ALA 15 HA ALA 15 -0.813 1.344 6.220 127 HB1 ALA 15 HB1 ALA 15 -2.071 1.472 8.313 128 HB2 ALA 15 HB2 ALA 15 -2.307 2.921 7.334 129 HB3 ALA 15 HB3 ALA 15 -1.229 2.966 8.731 130 H GLY 16 H GLY 16 1.499 3.230 8.003 131 HA2 GLY 16 HA2 GLY 16 2.313 4.683 5.707 132 HA3 GLY 16 HA3 GLY 16 1.336 5.694 6.767 133 H TYR 17 H TYR 17 3.807 6.529 6.387 134 HA TYR 17 HA TYR 17 5.243 5.736 8.838 135 HB2 TYR 17 HB2 TYR 17 6.402 6.908 6.296 136 HB3 TYR 17 HB3 TYR 17 7.312 6.482 7.739 137 HD1 TYR 17 HD1 TYR 17 5.502 5.169 4.836 138 HD2 TYR 17 HD2 TYR 17 7.835 4.184 8.250 139 HE1 TYR 17 HE1 TYR 17 5.796 2.893 3.967 140 HE2 TYR 17 HE2 TYR 17 8.144 1.903 7.389 141 HH TYR 17 HH TYR 17 7.390 1.017 4.211 142 H ILE 18 H ILE 18 5.781 7.319 10.256 143 HA ILE 18 HA ILE 18 4.745 9.989 9.638 144 HB ILE 18 HB ILE 18 3.826 9.007 11.665 145 HG12 ILE 18 HG12 ILE 18 4.422 10.806 13.281 146 HG13 ILE 18 HG13 ILE 18 5.745 11.277 12.219 147 HG21 ILE 18 HG21 ILE 18 6.671 8.842 12.631 148 HG22 ILE 18 HG22 ILE 18 5.586 7.493 12.289 149 HG23 ILE 18 HG23 ILE 18 5.245 8.580 13.636 150 HD11 ILE 18 HD11 ILE 18 4.132 11.769 10.446 151 HD12 ILE 18 HD12 ILE 18 3.835 12.722 11.900 152 HD13 ILE 18 HD13 ILE 18 2.817 11.329 11.534 153 H GLU 19 H GLU 19 6.150 11.422 8.960 154 HA GLU 19 HA GLU 19 8.942 11.154 9.831 155 HB2 GLU 19 HB2 GLU 19 7.965 12.256 7.194 156 HB3 GLU 19 HB3 GLU 19 9.641 12.066 7.685 157 HG2 GLU 19 HG2 GLU 19 9.242 9.608 7.829 158 HG3 GLU 19 HG3 GLU 19 7.646 9.887 7.130 159 H ILE 20 H ILE 20 9.237 12.598 11.335 160 HA ILE 20 HA ILE 20 8.534 15.405 10.751 161 HB ILE 20 HB ILE 20 8.865 14.201 13.507 162 HG12 ILE 20 HG12 ILE 20 6.269 14.975 12.168 163 HG13 ILE 20 HG13 ILE 20 6.873 13.322 12.212 164 HG21 ILE 20 HG21 ILE 20 7.759 16.861 12.604 165 HG22 ILE 20 HG22 ILE 20 9.333 16.597 13.355 166 HG23 ILE 20 HG23 ILE 20 7.856 16.295 14.272 167 HD11 ILE 20 HD11 ILE 20 6.198 15.014 14.606 168 HD12 ILE 20 HD12 ILE 20 6.792 13.353 14.643 169 HD13 ILE 20 HD13 ILE 20 5.216 13.710 13.940 170 HA PRO 21 HA PRO 21 13.078 15.084 10.487 171 HB2 PRO 21 HB2 PRO 21 13.346 17.620 9.433 172 HB3 PRO 21 HB3 PRO 21 13.066 16.161 8.477 173 HG2 PRO 21 HG2 PRO 21 11.113 18.227 9.402 174 HG3 PRO 21 HG3 PRO 21 11.215 17.399 7.837 175 HD2 PRO 21 HD2 PRO 21 9.410 16.678 9.681 176 HD3 PRO 21 HD3 PRO 21 10.210 15.470 8.649 177 H ASP 22 H ASP 22 11.131 17.653 11.847 178 HA ASP 22 HA ASP 22 13.196 19.063 13.164 179 HB2 ASP 22 HB2 ASP 22 10.848 19.896 12.693 180 HB3 ASP 22 HB3 ASP 22 10.311 18.896 14.032 181 H ALA 23 H ALA 23 11.327 16.230 13.963 182 HA ALA 23 HA ALA 23 12.505 16.197 16.655 183 HB1 ALA 23 HB1 ALA 23 10.124 14.690 15.574 184 HB2 ALA 23 HB2 ALA 23 10.064 16.125 16.599 185 HB3 ALA 23 HB3 ALA 23 10.728 14.616 17.230 186 H ASP 24 H ASP 24 13.213 15.159 13.709 187 HA ASP 24 HA ASP 24 14.450 13.507 12.774 188 HB2 ASP 24 HB2 ASP 24 15.962 14.022 14.675 189 HB3 ASP 24 HB3 ASP 24 15.144 12.792 15.635 190 H ILE 25 H ILE 25 11.663 13.065 13.629 191 HA ILE 25 HA ILE 25 11.557 10.250 14.351 192 HB ILE 25 HB ILE 25 9.426 12.361 14.029 193 HG12 ILE 25 HG12 ILE 25 10.455 10.843 16.437 194 HG13 ILE 25 HG13 ILE 25 10.809 12.523 16.043 195 HG21 ILE 25 HG21 ILE 25 7.815 10.699 14.848 196 HG22 ILE 25 HG22 ILE 25 9.068 9.459 14.804 197 HG23 ILE 25 HG23 ILE 25 8.516 10.207 13.304 198 HD11 ILE 25 HD11 ILE 25 9.124 12.365 17.782 199 HD12 ILE 25 HD12 ILE 25 8.099 11.398 16.719 200 HD13 ILE 25 HD13 ILE 25 8.448 13.080 16.318 201 H LYS 26 H LYS 26 11.963 8.941 12.660 202 HA LYS 26 HA LYS 26 10.062 9.135 10.433 203 HB2 LYS 26 HB2 LYS 26 13.012 8.512 10.197 204 HB3 LYS 26 HB3 LYS 26 11.847 8.146 8.935 205 HG2 LYS 26 HG2 LYS 26 12.591 10.146 8.173 206 HG3 LYS 26 HG3 LYS 26 11.282 10.715 9.205 207 HD2 LYS 26 HD2 LYS 26 13.190 12.077 9.649 208 HD3 LYS 26 HD3 LYS 26 12.976 11.006 11.037 209 HE2 LYS 26 HE2 LYS 26 14.739 9.573 10.281 210 HE3 LYS 26 HE3 LYS 26 14.864 10.444 8.755 211 HZ1 LYS 26 HZ1 LYS 26 15.526 12.429 10.065 212 HZ2 LYS 26 HZ2 LYS 26 16.631 11.147 10.158 213 HZ3 LYS 26 HZ3 LYS 26 15.589 11.457 11.457 214 H GLU 27 H GLU 27 8.782 7.641 11.520 215 HA GLU 27 HA GLU 27 9.844 4.900 11.635 216 HB2 GLU 27 HB2 GLU 27 8.404 6.410 13.810 217 HB3 GLU 27 HB3 GLU 27 8.456 4.655 13.774 218 HG2 GLU 27 HG2 GLU 27 10.946 6.324 13.735 219 HG3 GLU 27 HG3 GLU 27 10.150 5.854 15.235 220 HA PRO 28 HA PRO 28 5.946 3.837 9.816 221 HB2 PRO 28 HB2 PRO 28 5.663 1.270 10.533 222 HB3 PRO 28 HB3 PRO 28 6.948 1.795 9.440 223 HG2 PRO 28 HG2 PRO 28 7.085 1.156 12.358 224 HG3 PRO 28 HG3 PRO 28 8.234 0.757 11.068 225 HD2 PRO 28 HD2 PRO 28 8.527 2.860 12.823 226 HD3 PRO 28 HD3 PRO 28 9.279 2.777 11.219 227 H VAL 29 H VAL 29 3.774 3.740 10.188 228 HA VAL 29 HA VAL 29 2.883 3.675 12.992 229 HB VAL 29 HB VAL 29 1.442 4.763 10.561 230 HG11 VAL 29 HG11 VAL 29 -0.161 5.680 12.163 231 HG12 VAL 29 HG12 VAL 29 0.711 4.905 13.484 232 HG13 VAL 29 HG13 VAL 29 -0.093 3.920 12.264 233 HG21 VAL 29 HG21 VAL 29 1.846 6.971 11.579 234 HG22 VAL 29 HG22 VAL 29 3.344 6.153 11.132 235 HG23 VAL 29 HG23 VAL 29 2.834 6.198 12.819 236 H TYR 30 H TYR 30 1.660 2.034 13.677 237 HA TYR 30 HA TYR 30 0.847 0.020 11.705 238 HB2 TYR 30 HB2 TYR 30 1.197 -0.198 14.706 239 HB3 TYR 30 HB3 TYR 30 0.706 -1.516 13.646 240 HD1 TYR 30 HD1 TYR 30 3.427 -0.089 15.285 241 HD2 TYR 30 HD2 TYR 30 2.362 -1.881 11.579 242 HE1 TYR 30 HE1 TYR 30 5.788 -0.646 14.885 243 HE2 TYR 30 HE2 TYR 30 4.714 -2.447 11.159 244 HH TYR 30 HH TYR 30 6.950 -1.664 11.866 245 HA PRO 31 HA PRO 31 -3.292 1.558 12.303 246 HB2 PRO 31 HB2 PRO 31 -4.502 -0.252 10.689 247 HB3 PRO 31 HB3 PRO 31 -3.607 1.141 10.069 248 HG2 PRO 31 HG2 PRO 31 -2.721 -1.703 10.365 249 HG3 PRO 31 HG3 PRO 31 -2.481 -0.595 8.999 250 HD2 PRO 31 HD2 PRO 31 -0.544 -1.081 10.805 251 HD3 PRO 31 HD3 PRO 31 -0.740 0.507 10.038 252 H GLY 32 H GLY 32 -5.097 0.974 13.479 253 HA2 GLY 32 HA2 GLY 32 -6.223 -1.394 14.001 254 HA3 GLY 32 HA3 GLY 32 -4.839 -1.433 15.082 255 HA PRO 33 HA PRO 33 -8.409 0.834 17.125 256 HB2 PRO 33 HB2 PRO 33 -9.129 -0.996 18.930 257 HB3 PRO 33 HB3 PRO 33 -9.702 -1.054 17.267 258 HG2 PRO 33 HG2 PRO 33 -7.490 -2.616 18.539 259 HG3 PRO 33 HG3 PRO 33 -8.783 -3.187 17.466 260 HD2 PRO 33 HD2 PRO 33 -6.258 -2.618 16.606 261 HD3 PRO 33 HD3 PRO 33 -7.701 -2.482 15.579 262 H ALA 34 H ALA 34 -5.501 0.710 17.504 263 HA ALA 34 HA ALA 34 -3.887 1.323 18.991 264 HB1 ALA 34 HB1 ALA 34 -6.194 2.210 20.719 265 HB2 ALA 34 HB2 ALA 34 -5.482 3.166 19.420 266 HB3 ALA 34 HB3 ALA 34 -4.518 2.746 20.835 267 H THR 35 H THR 35 -4.700 -1.354 19.024 268 HA THR 35 HA THR 35 -5.326 -2.504 21.453 269 HB THR 35 HB THR 35 -3.365 -4.108 20.083 270 HG1 THR 35 HG1 THR 35 -3.922 -3.839 18.025 271 HG21 THR 35 HG21 THR 35 -5.270 -4.967 21.374 272 HG22 THR 35 HG22 THR 35 -5.289 -5.576 19.720 273 HG23 THR 35 HG23 THR 35 -6.383 -4.275 20.192 274 HA PRO 36 HA PRO 36 -2.335 -1.188 24.328 275 HB2 PRO 36 HB2 PRO 36 -2.457 -4.052 25.188 276 HB3 PRO 36 HB3 PRO 36 -2.522 -2.583 26.167 277 HG2 PRO 36 HG2 PRO 36 -4.742 -3.924 25.577 278 HG3 PRO 36 HG3 PRO 36 -4.725 -2.152 25.616 279 HD2 PRO 36 HD2 PRO 36 -4.870 -3.987 23.298 280 HD3 PRO 36 HD3 PRO 36 -5.460 -2.322 23.460 281 H GLU 37 H GLU 37 -1.561 -4.550 23.361 282 HA GLU 37 HA GLU 37 1.230 -4.119 23.883 283 HB2 GLU 37 HB2 GLU 37 -0.159 -6.436 22.525 284 HB3 GLU 37 HB3 GLU 37 1.506 -6.427 23.091 285 HG2 GLU 37 HG2 GLU 37 0.646 -6.016 25.391 286 HG3 GLU 37 HG3 GLU 37 -0.985 -6.243 24.760 287 H GLN 38 H GLN 38 -0.759 -4.265 20.959 288 HA GLN 38 HA GLN 38 1.435 -4.283 19.143 289 HB2 GLN 38 HB2 GLN 38 -1.476 -3.558 18.814 290 HB3 GLN 38 HB3 GLN 38 -0.329 -3.468 17.484 291 HG2 GLN 38 HG2 GLN 38 -1.523 -5.540 17.349 292 HG3 GLN 38 HG3 GLN 38 0.154 -5.871 17.777 293 HE21 GLN 38 HE21 GLN 38 -0.292 -7.856 18.670 294 HE22 GLN 38 HE22 GLN 38 -1.128 -8.034 20.177 295 H LEU 39 H LEU 39 -0.419 -1.788 20.709 296 HA LEU 39 HA LEU 39 0.838 0.376 19.273 297 HB2 LEU 39 HB2 LEU 39 -1.416 0.746 19.849 298 HB3 LEU 39 HB3 LEU 39 -1.201 0.100 21.462 299 HG LEU 39 HG LEU 39 0.155 2.104 22.016 300 HD11 LEU 39 HD11 LEU 39 0.002 4.062 20.578 301 HD12 LEU 39 HD12 LEU 39 -0.856 3.110 19.367 302 HD13 LEU 39 HD13 LEU 39 0.820 2.732 19.761 303 HD21 LEU 39 HD21 LEU 39 -2.188 1.936 22.652 304 HD22 LEU 39 HD22 LEU 39 -2.668 2.620 21.099 305 HD23 LEU 39 HD23 LEU 39 -1.762 3.600 22.251 306 H ASN 40 H ASN 40 1.562 -1.640 21.818 307 HA ASN 40 HA ASN 40 2.841 0.100 23.626 308 HB2 ASN 40 HB2 ASN 40 2.100 -2.176 24.196 309 HB3 ASN 40 HB3 ASN 40 3.313 -2.842 23.112 310 HD21 ASN 40 HD21 ASN 40 4.268 -3.990 24.742 311 HD22 ASN 40 HD22 ASN 40 5.231 -3.247 25.959 312 H ARG 41 H ARG 41 4.114 -1.895 20.951 313 HA ARG 41 HA ARG 41 6.750 -0.748 21.453 314 HB2 ARG 41 HB2 ARG 41 7.519 -2.306 19.618 315 HB3 ARG 41 HB3 ARG 41 6.955 -3.046 21.105 316 HG2 ARG 41 HG2 ARG 41 5.009 -2.714 18.889 317 HG3 ARG 41 HG3 ARG 41 6.261 -3.948 18.728 318 HD2 ARG 41 HD2 ARG 41 4.264 -3.683 20.972 319 HD3 ARG 41 HD3 ARG 41 4.275 -4.916 19.715 320 HE ARG 41 HE ARG 41 6.687 -5.271 20.857 321 HH11 ARG 41 HH11 ARG 41 3.475 -4.969 22.224 322 HH12 ARG 41 HH12 ARG 41 3.828 -5.960 23.614 323 HH21 ARG 41 HH21 ARG 41 7.161 -6.573 22.673 324 HH22 ARG 41 HH22 ARG 41 5.932 -6.867 23.870 325 H GLY 42 H GLY 42 4.151 -0.369 19.236 326 HA2 GLY 42 HA2 GLY 42 5.842 1.485 17.679 327 HA3 GLY 42 HA3 GLY 42 4.537 0.548 16.960 328 H VAL 43 H VAL 43 3.459 2.380 16.236 329 HA VAL 43 HA VAL 43 1.848 3.622 18.350 330 HB VAL 43 HB VAL 43 1.659 5.687 16.945 331 HG11 VAL 43 HG11 VAL 43 3.096 5.635 18.913 332 HG12 VAL 43 HG12 VAL 43 3.792 6.654 17.652 333 HG13 VAL 43 HG13 VAL 43 4.434 5.034 17.933 334 HG21 VAL 43 HG21 VAL 43 4.006 4.500 15.460 335 HG22 VAL 43 HG22 VAL 43 3.386 6.140 15.267 336 HG23 VAL 43 HG23 VAL 43 2.387 4.760 14.808 337 H SER 44 H SER 44 -0.320 4.176 17.650 338 HA SER 44 HA SER 44 -1.159 2.777 15.219 339 HB2 SER 44 HB2 SER 44 -1.310 1.304 17.334 340 HB3 SER 44 HB3 SER 44 -2.629 2.367 17.822 341 HG SER 44 HG SER 44 -2.491 0.884 15.399 342 H PHE 45 H PHE 45 -3.840 3.031 15.421 343 HA PHE 45 HA PHE 45 -4.167 5.948 15.388 344 HB2 PHE 45 HB2 PHE 45 -5.597 3.720 13.950 345 HB3 PHE 45 HB3 PHE 45 -6.238 5.355 14.009 346 HD1 PHE 45 HD1 PHE 45 -4.526 7.222 13.295 347 HD2 PHE 45 HD2 PHE 45 -4.263 3.127 12.178 348 HE1 PHE 45 HE1 PHE 45 -3.152 7.846 11.355 349 HE2 PHE 45 HE2 PHE 45 -2.894 3.741 10.227 350 HZ PHE 45 HZ PHE 45 -2.334 6.113 9.819 351 H ALA 46 H ALA 46 -6.501 6.640 15.870 352 HA ALA 46 HA ALA 46 -7.163 5.919 18.513 353 HB1 ALA 46 HB1 ALA 46 -7.744 8.095 17.565 354 HB2 ALA 46 HB2 ALA 46 -9.170 7.277 18.198 355 HB3 ALA 46 HB3 ALA 46 -8.878 7.320 16.460 356 H GLU 47 H GLU 47 -8.684 5.121 15.405 357 HA GLU 47 HA GLU 47 -9.835 2.741 16.691 358 HB2 GLU 47 HB2 GLU 47 -11.137 4.513 14.622 359 HB3 GLU 47 HB3 GLU 47 -11.724 2.910 15.040 360 HG2 GLU 47 HG2 GLU 47 -11.872 3.768 17.430 361 HG3 GLU 47 HG3 GLU 47 -11.663 5.374 16.735 362 H GLU 48 H GLU 48 -10.289 0.990 15.185 363 HA GLU 48 HA GLU 48 -8.090 0.519 13.451 364 HB2 GLU 48 HB2 GLU 48 -9.256 -1.629 12.971 365 HB3 GLU 48 HB3 GLU 48 -8.944 -1.327 14.680 366 HG2 GLU 48 HG2 GLU 48 -11.183 -0.560 14.982 367 HG3 GLU 48 HG3 GLU 48 -11.509 -0.762 13.270 368 H ASN 49 H ASN 49 -11.132 1.924 13.045 369 HA ASN 49 HA ASN 49 -11.055 1.493 10.137 370 HB2 ASN 49 HB2 ASN 49 -13.098 0.747 11.496 371 HB3 ASN 49 HB3 ASN 49 -13.437 2.456 11.724 372 HD21 ASN 49 HD21 ASN 49 -13.194 -0.125 9.376 373 HD22 ASN 49 HD22 ASN 49 -14.115 0.655 8.140 374 H GLU 50 H GLU 50 -9.481 3.412 11.675 375 HA GLU 50 HA GLU 50 -10.450 6.041 11.341 376 HB2 GLU 50 HB2 GLU 50 -8.442 5.337 12.698 377 HB3 GLU 50 HB3 GLU 50 -7.567 5.121 11.191 378 HG2 GLU 50 HG2 GLU 50 -6.938 7.228 12.040 379 HG3 GLU 50 HG3 GLU 50 -8.034 7.541 10.697 380 H SER 51 H SER 51 -10.106 7.534 9.610 381 HA SER 51 HA SER 51 -9.460 6.199 7.064 382 HB2 SER 51 HB2 SER 51 -11.526 8.357 7.535 383 HB3 SER 51 HB3 SER 51 -11.157 7.596 5.989 384 HG SER 51 HG SER 51 -11.790 5.907 8.113 385 H LEU 52 H LEU 52 -7.729 6.988 6.092 386 HA LEU 52 HA LEU 52 -6.454 9.390 6.921 387 HB2 LEU 52 HB2 LEU 52 -5.970 7.656 4.497 388 HB3 LEU 52 HB3 LEU 52 -4.927 8.964 5.011 389 HG LEU 52 HG LEU 52 -3.868 7.007 5.722 390 HD11 LEU 52 HD11 LEU 52 -3.901 7.110 8.160 391 HD12 LEU 52 HD12 LEU 52 -5.380 8.068 8.096 392 HD13 LEU 52 HD13 LEU 52 -3.881 8.716 7.431 393 HD21 LEU 52 HD21 LEU 52 -4.884 5.192 6.895 394 HD22 LEU 52 HD22 LEU 52 -5.780 5.499 5.409 395 HD23 LEU 52 HD23 LEU 52 -6.426 6.039 6.959 396 H ASP 53 H ASP 53 -8.929 8.700 4.716 397 HA ASP 53 HA ASP 53 -8.456 11.064 3.076 398 HB2 ASP 53 HB2 ASP 53 -9.144 8.909 2.034 399 HB3 ASP 53 HB3 ASP 53 -10.667 9.002 2.907 400 H ASP 54 H ASP 54 -9.721 10.508 6.001 401 HA ASP 54 HA ASP 54 -12.135 12.095 5.798 402 HB2 ASP 54 HB2 ASP 54 -11.695 10.130 7.425 403 HB3 ASP 54 HB3 ASP 54 -10.763 11.294 8.359 404 H GLN 55 H GLN 55 -12.128 13.735 7.914 405 HA GLN 55 HA GLN 55 -10.139 15.744 7.203 406 HB2 GLN 55 HB2 GLN 55 -12.524 16.387 7.422 407 HB3 GLN 55 HB3 GLN 55 -12.499 15.880 9.102 408 HG2 GLN 55 HG2 GLN 55 -10.472 17.879 8.365 409 HG3 GLN 55 HG3 GLN 55 -12.147 18.419 8.259 410 HE21 GLN 55 HE21 GLN 55 -9.598 17.373 10.376 411 HE22 GLN 55 HE22 GLN 55 -10.385 17.800 11.859 412 H ASN 56 H ASN 56 -10.960 13.488 9.693 413 HA ASN 56 HA ASN 56 -8.785 14.577 11.353 414 HB2 ASN 56 HB2 ASN 56 -9.894 14.046 13.335 415 HB3 ASN 56 HB3 ASN 56 -11.169 14.682 12.314 416 HD21 ASN 56 HD21 ASN 56 -11.915 12.504 10.805 417 HD22 ASN 56 HD22 ASN 56 -12.464 11.233 11.836 418 H ILE 57 H ILE 57 -7.134 13.316 11.814 419 HA ILE 57 HA ILE 57 -7.462 10.399 11.714 420 HB ILE 57 HB ILE 57 -5.070 11.869 10.570 421 HG12 ILE 57 HG12 ILE 57 -5.889 10.401 8.507 422 HG13 ILE 57 HG13 ILE 57 -7.449 10.600 9.300 423 HG21 ILE 57 HG21 ILE 57 -5.635 8.917 10.743 424 HG22 ILE 57 HG22 ILE 57 -4.419 9.807 11.662 425 HG23 ILE 57 HG23 ILE 57 -4.268 9.657 9.910 426 HD11 ILE 57 HD11 ILE 57 -7.115 12.292 7.613 427 HD12 ILE 57 HD12 ILE 57 -5.619 12.802 8.399 428 HD13 ILE 57 HD13 ILE 57 -7.167 13.021 9.218 429 H SER 58 H SER 58 -7.142 9.784 13.759 430 HA SER 58 HA SER 58 -5.347 11.411 15.425 431 HB2 SER 58 HB2 SER 58 -7.435 9.392 16.265 432 HB3 SER 58 HB3 SER 58 -6.542 10.477 17.331 433 HG SER 58 HG SER 58 -8.449 11.157 15.348 434 H ILE 59 H ILE 59 -3.445 10.665 16.019 435 HA ILE 59 HA ILE 59 -2.900 7.784 15.746 436 HB ILE 59 HB ILE 59 -0.941 10.093 15.685 437 HG12 ILE 59 HG12 ILE 59 -1.888 8.244 13.483 438 HG13 ILE 59 HG13 ILE 59 -2.306 9.945 13.643 439 HG21 ILE 59 HG21 ILE 59 0.043 8.106 16.684 440 HG22 ILE 59 HG22 ILE 59 0.728 8.400 15.085 441 HG23 ILE 59 HG23 ILE 59 -0.481 7.136 15.306 442 HD11 ILE 59 HD11 ILE 59 0.447 8.833 13.138 443 HD12 ILE 59 HD12 ILE 59 0.046 10.542 13.323 444 HD13 ILE 59 HD13 ILE 59 -0.600 9.628 11.961 445 H ALA 60 H ALA 60 -2.516 6.681 17.537 446 HA ALA 60 HA ALA 60 -2.321 8.125 20.067 447 HB1 ALA 60 HB1 ALA 60 -3.982 6.335 19.867 448 HB2 ALA 60 HB2 ALA 60 -2.784 5.971 21.107 449 HB3 ALA 60 HB3 ALA 60 -2.695 5.178 19.533 450 H GLY 61 H GLY 61 -0.443 8.338 21.146 451 HA2 GLY 61 HA2 GLY 61 1.709 6.413 20.586 452 HA3 GLY 61 HA3 GLY 61 2.028 8.132 20.415 453 H HIS 62 H HIS 62 3.606 6.818 22.072 454 HA HIS 62 HA HIS 62 3.199 8.069 24.578 455 HB2 HIS 62 HB2 HIS 62 3.003 6.093 26.006 456 HB3 HIS 62 HB3 HIS 62 1.639 6.156 24.896 457 HD1 HIS 62 HD1 HIS 62 4.614 4.116 25.813 458 HD2 HIS 62 HD2 HIS 62 1.646 4.144 22.897 459 HE1 HIS 62 HE1 HIS 62 4.726 1.861 24.707 460 H THR 63 H THR 63 5.013 7.561 26.076 461 HA THR 63 HA THR 63 7.466 7.155 24.657 462 HB THR 63 HB THR 63 7.164 7.147 27.658 463 HG1 THR 63 HG1 THR 63 6.668 9.162 25.819 464 HG21 THR 63 HG21 THR 63 9.399 6.660 26.855 465 HG22 THR 63 HG22 THR 63 9.376 8.293 27.519 466 HG23 THR 63 HG23 THR 63 9.354 8.049 25.768 467 H PHE 64 H PHE 64 8.887 5.399 24.814 468 HA PHE 64 HA PHE 64 7.625 2.909 25.761 469 HB2 PHE 64 HB2 PHE 64 7.596 3.257 23.258 470 HB3 PHE 64 HB3 PHE 64 9.352 3.185 23.296 471 HD1 PHE 64 HD1 PHE 64 9.693 1.288 21.974 472 HD2 PHE 64 HD2 PHE 64 7.062 1.095 25.313 473 HE1 PHE 64 HE1 PHE 64 9.589 -1.159 21.746 474 HE2 PHE 64 HE2 PHE 64 6.955 -1.352 25.093 475 HZ PHE 64 HZ PHE 64 8.219 -2.482 23.305 476 H ILE 65 H ILE 65 9.076 1.220 26.394 477 HA ILE 65 HA ILE 65 11.507 2.319 27.596 478 HB ILE 65 HB ILE 65 9.922 -0.166 28.249 479 HG12 ILE 65 HG12 ILE 65 10.358 2.393 29.807 480 HG13 ILE 65 HG13 ILE 65 8.891 1.982 28.924 481 HG21 ILE 65 HG21 ILE 65 12.414 0.902 29.568 482 HG22 ILE 65 HG22 ILE 65 12.274 -0.592 28.639 483 HG23 ILE 65 HG23 ILE 65 11.423 -0.424 30.177 484 HD11 ILE 65 HD11 ILE 65 10.005 0.491 31.292 485 HD12 ILE 65 HD12 ILE 65 8.534 0.079 30.409 486 HD13 ILE 65 HD13 ILE 65 8.630 1.595 31.304 487 H ASP 66 H ASP 66 10.408 -0.524 25.766 488 HA ASP 66 HA ASP 66 12.819 -1.927 25.800 489 HB2 ASP 66 HB2 ASP 66 10.584 -1.969 23.773 490 HB3 ASP 66 HB3 ASP 66 11.931 -3.101 23.772 491 H ARG 67 H ARG 67 11.600 0.379 23.391 492 HA ARG 67 HA ARG 67 14.196 0.211 22.044 493 HB2 ARG 67 HB2 ARG 67 11.514 1.186 21.093 494 HB3 ARG 67 HB3 ARG 67 12.994 1.631 20.256 495 HG2 ARG 67 HG2 ARG 67 13.460 -0.899 20.171 496 HG3 ARG 67 HG3 ARG 67 11.750 -1.077 20.566 497 HD2 ARG 67 HD2 ARG 67 12.757 0.563 18.250 498 HD3 ARG 67 HD3 ARG 67 12.326 -1.138 18.112 499 HE ARG 67 HE ARG 67 10.077 -0.172 19.104 500 HH11 ARG 67 HH11 ARG 67 12.145 1.160 16.611 501 HH12 ARG 67 HH12 ARG 67 10.840 1.936 15.750 502 HH21 ARG 67 HH21 ARG 67 8.340 0.792 17.952 503 HH22 ARG 67 HH22 ARG 67 8.674 1.704 16.505 504 HA PRO 68 HA PRO 68 15.055 4.359 23.546 505 HB2 PRO 68 HB2 PRO 68 17.621 4.389 22.784 506 HB3 PRO 68 HB3 PRO 68 17.099 3.479 24.206 507 HG2 PRO 68 HG2 PRO 68 17.731 2.505 21.455 508 HG3 PRO 68 HG3 PRO 68 18.124 1.769 23.018 509 HD2 PRO 68 HD2 PRO 68 16.013 1.008 21.413 510 HD3 PRO 68 HD3 PRO 68 16.095 0.731 23.163 511 H ASN 69 H ASN 69 14.458 3.112 20.643 512 HA ASN 69 HA ASN 69 14.767 5.619 19.226 513 HB2 ASN 69 HB2 ASN 69 16.879 4.151 18.922 514 HB3 ASN 69 HB3 ASN 69 15.847 3.111 17.949 515 HD21 ASN 69 HD21 ASN 69 17.500 6.116 18.161 516 HD22 ASN 69 HD22 ASN 69 17.255 6.609 16.518 517 H TYR 70 H TYR 70 12.466 5.439 19.483 518 HA TYR 70 HA TYR 70 11.269 3.707 17.423 519 HB2 TYR 70 HB2 TYR 70 9.244 3.524 18.825 520 HB3 TYR 70 HB3 TYR 70 10.652 2.844 19.631 521 HD1 TYR 70 HD1 TYR 70 8.069 5.384 19.741 522 HD2 TYR 70 HD2 TYR 70 11.717 4.086 21.496 523 HE1 TYR 70 HE1 TYR 70 7.652 6.842 21.671 524 HE2 TYR 70 HE2 TYR 70 11.312 5.547 23.428 525 HH TYR 70 HH TYR 70 10.040 7.613 23.931 526 H GLN 71 H GLN 71 8.664 4.828 17.739 527 HA GLN 71 HA GLN 71 8.819 6.880 15.866 528 HB2 GLN 71 HB2 GLN 71 6.522 6.227 17.716 529 HB3 GLN 71 HB3 GLN 71 6.415 7.216 16.270 530 HG2 GLN 71 HG2 GLN 71 5.590 5.139 15.627 531 HG3 GLN 71 HG3 GLN 71 7.233 5.176 14.996 532 HE21 GLN 71 HE21 GLN 71 6.454 4.663 18.367 533 HE22 GLN 71 HE22 GLN 71 6.953 3.010 18.430 534 H PHE 72 H PHE 72 7.344 7.396 19.085 535 HA PHE 72 HA PHE 72 7.823 10.238 18.679 536 HB2 PHE 72 HB2 PHE 72 6.094 8.769 20.674 537 HB3 PHE 72 HB3 PHE 72 6.220 10.522 20.571 538 HD1 PHE 72 HD1 PHE 72 3.642 9.062 20.346 539 HD2 PHE 72 HD2 PHE 72 6.471 10.175 17.364 540 HE1 PHE 72 HE1 PHE 72 1.851 9.094 18.658 541 HE2 PHE 72 HE2 PHE 72 4.683 10.205 15.675 542 HZ PHE 72 HZ PHE 72 2.370 9.666 16.321 543 H THR 73 H THR 73 10.041 8.550 19.458 544 HA THR 73 HA THR 73 10.669 8.748 22.205 545 HB THR 73 HB THR 73 12.838 8.890 20.145 546 HG1 THR 73 HG1 THR 73 11.785 7.398 19.040 547 HG21 THR 73 HG21 THR 73 13.399 8.545 22.514 548 HG22 THR 73 HG22 THR 73 13.836 7.141 21.537 549 HG23 THR 73 HG23 THR 73 12.385 7.100 22.535 550 H ASN 74 H ASN 74 10.727 11.102 19.648 551 HA ASN 74 HA ASN 74 12.101 12.992 21.423 552 HB2 ASN 74 HB2 ASN 74 13.699 12.035 19.736 553 HB3 ASN 74 HB3 ASN 74 12.707 12.746 18.467 554 HD21 ASN 74 HD21 ASN 74 14.368 14.050 17.748 555 HD22 ASN 74 HD22 ASN 74 14.927 15.428 18.637 556 H LEU 75 H LEU 75 9.261 12.759 20.857 557 HA LEU 75 HA LEU 75 8.595 14.856 18.998 558 HB2 LEU 75 HB2 LEU 75 7.151 12.935 20.612 559 HB3 LEU 75 HB3 LEU 75 6.413 14.524 20.701 560 HG LEU 75 HG LEU 75 6.907 12.890 18.214 561 HD11 LEU 75 HD11 LEU 75 4.473 12.966 18.017 562 HD12 LEU 75 HD12 LEU 75 4.380 13.855 19.538 563 HD13 LEU 75 HD13 LEU 75 4.982 12.197 19.520 564 HD21 LEU 75 HD21 LEU 75 5.825 14.732 16.995 565 HD22 LEU 75 HD22 LEU 75 7.355 15.226 17.720 566 HD23 LEU 75 HD23 LEU 75 5.831 15.698 18.472 567 H LYS 76 H LYS 76 10.293 15.226 21.553 568 HA LYS 76 HA LYS 76 8.816 17.313 22.924 569 HB2 LYS 76 HB2 LYS 76 10.966 17.444 24.289 570 HB3 LYS 76 HB3 LYS 76 10.082 15.925 24.380 571 HG2 LYS 76 HG2 LYS 76 11.636 14.803 23.027 572 HG3 LYS 76 HG3 LYS 76 12.348 16.308 22.447 573 HD2 LYS 76 HD2 LYS 76 13.410 16.720 24.501 574 HD3 LYS 76 HD3 LYS 76 12.454 15.495 25.341 575 HE2 LYS 76 HE2 LYS 76 14.609 14.563 25.037 576 HE3 LYS 76 HE3 LYS 76 13.571 13.788 23.844 577 HZ1 LYS 76 HZ1 LYS 76 14.447 15.272 22.155 578 HZ2 LYS 76 HZ2 LYS 76 15.712 14.434 22.911 579 HZ3 LYS 76 HZ3 LYS 76 15.419 16.053 23.303 580 H ALA 77 H ALA 77 11.101 16.995 20.408 581 HA ALA 77 HA ALA 77 12.125 19.708 20.762 582 HB1 ALA 77 HB1 ALA 77 13.696 17.848 20.380 583 HB2 ALA 77 HB2 ALA 77 13.792 19.093 19.128 584 HB3 ALA 77 HB3 ALA 77 12.954 17.577 18.800 585 H ALA 78 H ALA 78 9.391 18.970 19.832 586 HA ALA 78 HA ALA 78 9.344 19.881 17.054 587 HB1 ALA 78 HB1 ALA 78 8.047 17.931 17.481 588 HB2 ALA 78 HB2 ALA 78 6.904 19.258 17.241 589 HB3 ALA 78 HB3 ALA 78 7.260 18.674 18.875 590 H LYS 79 H LYS 79 8.003 21.600 16.384 591 HA LYS 79 HA LYS 79 6.945 23.389 18.464 592 HB2 LYS 79 HB2 LYS 79 8.320 24.412 15.972 593 HB3 LYS 79 HB3 LYS 79 7.733 25.359 17.328 594 HG2 LYS 79 HG2 LYS 79 9.903 25.364 17.892 595 HG3 LYS 79 HG3 LYS 79 9.509 23.794 18.597 596 HD2 LYS 79 HD2 LYS 79 10.180 22.724 16.467 597 HD3 LYS 79 HD3 LYS 79 10.674 24.306 15.866 598 HE2 LYS 79 HE2 LYS 79 12.302 24.486 17.679 599 HE3 LYS 79 HE3 LYS 79 11.805 22.904 18.282 600 HZ1 LYS 79 HZ1 LYS 79 13.122 23.503 15.698 601 HZ2 LYS 79 HZ2 LYS 79 12.468 21.992 16.078 602 HZ3 LYS 79 HZ3 LYS 79 13.757 22.614 16.991 603 H LYS 80 H LYS 80 5.838 25.291 16.831 604 HA LYS 80 HA LYS 80 3.561 23.928 15.835 605 HB2 LYS 80 HB2 LYS 80 2.887 26.218 15.004 606 HB3 LYS 80 HB3 LYS 80 3.176 26.076 16.731 607 HG2 LYS 80 HG2 LYS 80 5.356 27.110 16.477 608 HG3 LYS 80 HG3 LYS 80 5.129 27.194 14.728 609 HD2 LYS 80 HD2 LYS 80 4.669 29.337 15.920 610 HD3 LYS 80 HD3 LYS 80 3.308 28.732 14.975 611 HE2 LYS 80 HE2 LYS 80 2.547 29.543 17.140 612 HE3 LYS 80 HE3 LYS 80 2.310 27.802 17.012 613 HZ1 LYS 80 HZ1 LYS 80 4.440 27.549 18.257 614 HZ2 LYS 80 HZ2 LYS 80 3.184 28.255 19.145 615 HZ3 LYS 80 HZ3 LYS 80 4.428 29.223 18.529 616 H GLY 81 H GLY 81 6.521 24.944 14.347 617 HA2 GLY 81 HA2 GLY 81 5.347 24.145 11.761 618 HA3 GLY 81 HA3 GLY 81 6.564 25.411 11.898 619 H SER 82 H SER 82 6.207 22.073 13.100 620 HA SER 82 HA SER 82 9.008 21.578 12.698 621 HB2 SER 82 HB2 SER 82 6.726 19.839 13.630 622 HB3 SER 82 HB3 SER 82 8.398 19.283 13.523 623 HG SER 82 HG SER 82 8.998 20.788 15.047 624 H MET 83 H MET 83 6.376 21.497 10.666 625 HA MET 83 HA MET 83 5.820 20.505 8.709 626 HB2 MET 83 HB2 MET 83 8.820 20.350 8.607 627 HB3 MET 83 HB3 MET 83 7.822 19.764 7.285 628 HG2 MET 83 HG2 MET 83 7.216 22.477 8.245 629 HG3 MET 83 HG3 MET 83 8.772 22.265 7.454 630 HE1 MET 83 HE1 MET 83 4.706 21.341 5.442 631 HE2 MET 83 HE2 MET 83 4.845 22.100 7.024 632 HE3 MET 83 HE3 MET 83 5.343 20.420 6.808 633 H VAL 84 H VAL 84 4.640 18.823 9.456 634 HA VAL 84 HA VAL 84 5.972 16.293 10.051 635 HB VAL 84 HB VAL 84 3.055 17.050 10.269 636 HG11 VAL 84 HG11 VAL 84 4.522 14.652 11.355 637 HG12 VAL 84 HG12 VAL 84 3.418 14.645 9.982 638 HG13 VAL 84 HG13 VAL 84 2.815 15.025 11.595 639 HG21 VAL 84 HG21 VAL 84 4.411 18.357 11.799 640 HG22 VAL 84 HG22 VAL 84 5.181 16.889 12.399 641 HG23 VAL 84 HG23 VAL 84 3.463 17.161 12.685 642 H TYR 85 H TYR 85 6.406 15.094 8.308 643 HA TYR 85 HA TYR 85 4.587 15.166 6.019 644 HB2 TYR 85 HB2 TYR 85 7.256 13.762 6.296 645 HB3 TYR 85 HB3 TYR 85 6.335 13.973 4.811 646 HD1 TYR 85 HD1 TYR 85 6.099 16.265 3.831 647 HD2 TYR 85 HD2 TYR 85 8.687 15.460 7.110 648 HE1 TYR 85 HE1 TYR 85 7.296 18.372 3.401 649 HE2 TYR 85 HE2 TYR 85 9.886 17.559 6.685 650 HH TYR 85 HH TYR 85 8.722 19.930 4.448 651 H PHE 86 H PHE 86 2.965 13.759 6.042 652 HA PHE 86 HA PHE 86 3.351 11.224 7.458 653 HB2 PHE 86 HB2 PHE 86 1.327 12.707 7.922 654 HB3 PHE 86 HB3 PHE 86 0.751 12.247 6.323 655 HD1 PHE 86 HD1 PHE 86 2.406 10.277 9.017 656 HD2 PHE 86 HD2 PHE 86 -1.049 10.838 6.598 657 HE1 PHE 86 HE1 PHE 86 1.408 8.250 9.985 658 HE2 PHE 86 HE2 PHE 86 -2.054 8.808 7.560 659 HZ PHE 86 HZ PHE 86 -0.828 7.511 9.256 660 H LYS 87 H LYS 87 4.259 9.783 6.209 661 HA LYS 87 HA LYS 87 3.742 9.695 3.349 662 HB2 LYS 87 HB2 LYS 87 6.036 9.427 4.383 663 HB3 LYS 87 HB3 LYS 87 5.493 7.889 5.033 664 HG2 LYS 87 HG2 LYS 87 6.827 7.623 3.004 665 HG3 LYS 87 HG3 LYS 87 5.182 7.015 2.798 666 HD2 LYS 87 HD2 LYS 87 4.631 8.624 1.298 667 HD3 LYS 87 HD3 LYS 87 5.661 9.838 2.057 668 HE2 LYS 87 HE2 LYS 87 6.426 9.152 -0.204 669 HE3 LYS 87 HE3 LYS 87 7.621 8.886 1.063 670 HZ1 LYS 87 HZ1 LYS 87 7.156 6.575 1.069 671 HZ2 LYS 87 HZ2 LYS 87 7.391 7.033 -0.550 672 HZ3 LYS 87 HZ3 LYS 87 5.823 6.765 0.038 673 H VAL 88 H VAL 88 1.541 9.027 3.336 674 HA VAL 88 HA VAL 88 1.071 6.361 4.504 675 HB VAL 88 HB VAL 88 -0.255 8.041 5.665 676 HG11 VAL 88 HG11 VAL 88 -1.397 8.699 2.955 677 HG12 VAL 88 HG12 VAL 88 -0.399 9.748 3.963 678 HG13 VAL 88 HG13 VAL 88 -2.019 9.296 4.494 679 HG21 VAL 88 HG21 VAL 88 -2.486 7.073 5.339 680 HG22 VAL 88 HG22 VAL 88 -1.223 5.844 5.415 681 HG23 VAL 88 HG23 VAL 88 -1.920 6.299 3.860 682 H GLY 89 H GLY 89 0.369 4.782 3.226 683 HA2 GLY 89 HA2 GLY 89 -0.188 3.660 1.307 684 HA3 GLY 89 HA3 GLY 89 -1.085 5.098 0.833 685 H ASN 90 H ASN 90 -0.261 6.422 -0.696 686 HA ASN 90 HA ASN 90 2.443 5.824 -1.676 687 HB2 ASN 90 HB2 ASN 90 -0.054 6.213 -3.310 688 HB3 ASN 90 HB3 ASN 90 1.562 6.236 -3.997 689 HD21 ASN 90 HD21 ASN 90 -0.666 4.449 -4.534 690 HD22 ASN 90 HD22 ASN 90 -0.096 2.853 -4.203 691 H GLU 91 H GLU 91 0.846 8.102 -0.127 692 HA GLU 91 HA GLU 91 1.966 10.275 -1.766 693 HB2 GLU 91 HB2 GLU 91 0.122 11.725 -1.019 694 HB3 GLU 91 HB3 GLU 91 -0.428 10.369 -1.987 695 HG2 GLU 91 HG2 GLU 91 -1.257 9.242 -0.049 696 HG3 GLU 91 HG3 GLU 91 -0.524 10.446 1.016 697 H THR 92 H THR 92 2.538 12.213 -0.635 698 HA THR 92 HA THR 92 3.223 11.785 2.201 699 HB THR 92 HB THR 92 4.886 13.482 0.357 700 HG1 THR 92 HG1 THR 92 5.704 11.764 -0.549 701 HG21 THR 92 HG21 THR 92 6.648 12.977 1.988 702 HG22 THR 92 HG22 THR 92 5.520 11.966 2.893 703 HG23 THR 92 HG23 THR 92 5.242 13.703 2.768 704 H ARG 93 H ARG 93 1.910 13.135 3.324 705 HA ARG 93 HA ARG 93 1.184 15.715 2.119 706 HB2 ARG 93 HB2 ARG 93 0.006 14.351 4.545 707 HB3 ARG 93 HB3 ARG 93 -0.603 15.808 3.771 708 HG2 ARG 93 HG2 ARG 93 -1.081 14.522 1.749 709 HG3 ARG 93 HG3 ARG 93 -0.497 13.063 2.553 710 HD2 ARG 93 HD2 ARG 93 -2.231 13.356 4.279 711 HD3 ARG 93 HD3 ARG 93 -2.837 14.762 3.403 712 HE ARG 93 HE ARG 93 -2.818 12.704 1.570 713 HH11 ARG 93 HH11 ARG 93 -4.341 13.344 4.663 714 HH12 ARG 93 HH12 ARG 93 -5.713 12.326 4.345 715 HH21 ARG 93 HH21 ARG 93 -4.609 11.379 1.130 716 HH22 ARG 93 HH22 ARG 93 -5.879 11.225 2.309 717 H LYS 94 H LYS 94 1.487 17.657 3.202 718 HA LYS 94 HA LYS 94 3.465 17.549 5.368 719 HB2 LYS 94 HB2 LYS 94 2.667 20.125 4.085 720 HB3 LYS 94 HB3 LYS 94 4.200 19.666 4.793 721 HG2 LYS 94 HG2 LYS 94 4.720 19.797 2.566 722 HG3 LYS 94 HG3 LYS 94 4.375 18.076 2.750 723 HD2 LYS 94 HD2 LYS 94 2.343 18.232 1.651 724 HD3 LYS 94 HD3 LYS 94 2.174 19.954 1.988 725 HE2 LYS 94 HE2 LYS 94 4.173 18.735 0.089 726 HE3 LYS 94 HE3 LYS 94 2.653 19.497 -0.382 727 HZ1 LYS 94 HZ1 LYS 94 3.454 21.570 0.641 728 HZ2 LYS 94 HZ2 LYS 94 4.458 21.051 -0.626 729 HZ3 LYS 94 HZ3 LYS 94 4.936 20.821 0.982 730 H TYR 95 H TYR 95 2.720 17.776 7.344 731 HA TYR 95 HA TYR 95 0.297 19.400 7.757 732 HB2 TYR 95 HB2 TYR 95 1.453 17.195 9.480 733 HB3 TYR 95 HB3 TYR 95 0.042 18.162 9.891 734 HD1 TYR 95 HD1 TYR 95 -2.085 17.753 8.841 735 HD2 TYR 95 HD2 TYR 95 1.346 15.522 7.697 736 HE1 TYR 95 HE1 TYR 95 -3.532 16.132 7.691 737 HE2 TYR 95 HE2 TYR 95 -0.090 13.898 6.538 738 HH TYR 95 HH TYR 95 -2.495 13.116 6.736 739 H LYS 96 H LYS 96 0.354 21.062 9.203 740 HA LYS 96 HA LYS 96 2.975 21.635 10.432 741 HB2 LYS 96 HB2 LYS 96 1.747 23.244 8.702 742 HB3 LYS 96 HB3 LYS 96 0.874 23.740 10.148 743 HG2 LYS 96 HG2 LYS 96 2.670 25.237 9.915 744 HG3 LYS 96 HG3 LYS 96 3.121 24.139 11.222 745 HD2 LYS 96 HD2 LYS 96 5.067 24.157 10.002 746 HD3 LYS 96 HD3 LYS 96 4.239 22.791 9.252 747 HE2 LYS 96 HE2 LYS 96 5.058 24.086 7.472 748 HE3 LYS 96 HE3 LYS 96 3.336 24.461 7.570 749 HZ1 LYS 96 HZ1 LYS 96 5.631 26.124 8.414 750 HZ2 LYS 96 HZ2 LYS 96 4.069 26.428 8.994 751 HZ3 LYS 96 HZ3 LYS 96 4.386 26.517 7.329 752 H MET 97 H MET 97 3.070 21.884 12.641 753 HA MET 97 HA MET 97 0.724 20.969 14.077 754 HB2 MET 97 HB2 MET 97 3.576 21.498 14.906 755 HB3 MET 97 HB3 MET 97 2.320 21.153 16.088 756 HG2 MET 97 HG2 MET 97 1.862 19.026 14.909 757 HG3 MET 97 HG3 MET 97 3.219 19.368 13.840 758 HE1 MET 97 HE1 MET 97 2.780 16.699 15.687 759 HE2 MET 97 HE2 MET 97 4.453 16.439 16.192 760 HE3 MET 97 HE3 MET 97 4.100 16.906 14.528 761 H THR 98 H THR 98 -0.346 23.010 13.298 762 HA THR 98 HA THR 98 0.470 25.516 14.383 763 HB THR 98 HB THR 98 -0.699 25.592 12.324 764 HG1 THR 98 HG1 THR 98 -1.272 27.233 13.948 765 HG21 THR 98 HG21 THR 98 -1.893 23.487 12.432 766 HG22 THR 98 HG22 THR 98 -3.020 24.794 12.059 767 HG23 THR 98 HG23 THR 98 -2.954 24.123 13.691 768 H SER 99 H SER 99 -1.771 23.027 15.418 769 HA SER 99 HA SER 99 -2.452 24.709 17.731 770 HB2 SER 99 HB2 SER 99 -4.035 22.466 16.470 771 HB3 SER 99 HB3 SER 99 -4.496 23.319 17.940 772 HG SER 99 HG SER 99 -3.994 25.161 16.127 773 H ILE 100 H ILE 100 -0.904 24.163 19.149 774 HA ILE 100 HA ILE 100 -0.608 21.307 19.842 775 HB ILE 100 HB ILE 100 1.354 23.582 20.225 776 HG12 ILE 100 HG12 ILE 100 1.480 21.139 18.445 777 HG13 ILE 100 HG13 ILE 100 1.199 22.791 17.905 778 HG21 ILE 100 HG21 ILE 100 1.486 22.024 22.080 779 HG22 ILE 100 HG22 ILE 100 2.908 21.874 21.049 780 HG23 ILE 100 HG23 ILE 100 1.622 20.671 20.958 781 HD11 ILE 100 HD11 ILE 100 3.492 22.116 17.509 782 HD12 ILE 100 HD12 ILE 100 3.700 21.767 19.225 783 HD13 ILE 100 HD13 ILE 100 3.420 23.424 18.688 784 H ARG 101 H ARG 101 -1.015 20.697 21.939 785 HA ARG 101 HA ARG 101 -0.811 22.592 24.079 786 HB2 ARG 101 HB2 ARG 101 -3.103 22.540 24.855 787 HB3 ARG 101 HB3 ARG 101 -3.062 23.159 23.210 788 HG2 ARG 101 HG2 ARG 101 -3.731 20.917 22.399 789 HG3 ARG 101 HG3 ARG 101 -3.877 20.394 24.078 790 HD2 ARG 101 HD2 ARG 101 -6.053 20.988 23.280 791 HD3 ARG 101 HD3 ARG 101 -5.532 22.210 24.439 792 HE ARG 101 HE ARG 101 -4.781 23.146 21.948 793 HH11 ARG 101 HH11 ARG 101 -7.759 22.339 23.606 794 HH12 ARG 101 HH12 ARG 101 -8.739 23.399 22.640 795 HH21 ARG 101 HH21 ARG 101 -6.046 24.552 20.703 796 HH22 ARG 101 HH22 ARG 101 -7.753 24.700 21.010 797 H ASP 102 H ASP 102 -1.853 21.446 26.147 798 HA ASP 102 HA ASP 102 -1.258 18.570 25.993 799 HB2 ASP 102 HB2 ASP 102 -0.245 18.654 28.207 800 HB3 ASP 102 HB3 ASP 102 0.590 19.779 27.141 801 H VAL 103 H VAL 103 -2.657 17.245 27.100 802 HA VAL 103 HA VAL 103 -4.967 18.626 28.284 803 HB VAL 103 HB VAL 103 -6.274 16.536 27.677 804 HG11 VAL 103 HG11 VAL 103 -5.155 18.220 25.437 805 HG12 VAL 103 HG12 VAL 103 -6.516 18.644 26.475 806 HG13 VAL 103 HG13 VAL 103 -6.641 17.274 25.371 807 HG21 VAL 103 HG21 VAL 103 -3.888 16.072 25.889 808 HG22 VAL 103 HG22 VAL 103 -5.410 15.183 25.840 809 HG23 VAL 103 HG23 VAL 103 -4.365 15.064 27.255 810 H LYS 104 H LYS 104 -5.955 17.739 30.078 811 HA LYS 104 HA LYS 104 -4.081 16.460 31.881 812 HB2 LYS 104 HB2 LYS 104 -6.767 17.781 32.237 813 HB3 LYS 104 HB3 LYS 104 -5.980 16.915 33.544 814 HG2 LYS 104 HG2 LYS 104 -5.565 19.269 33.776 815 HG3 LYS 104 HG3 LYS 104 -4.058 18.453 33.373 816 HD2 LYS 104 HD2 LYS 104 -4.251 20.532 32.136 817 HD3 LYS 104 HD3 LYS 104 -4.318 19.160 31.031 818 HE2 LYS 104 HE2 LYS 104 -5.969 20.836 30.421 819 HE3 LYS 104 HE3 LYS 104 -6.757 19.351 30.950 820 HZ1 LYS 104 HZ1 LYS 104 -6.364 21.755 32.650 821 HZ2 LYS 104 HZ2 LYS 104 -7.220 20.350 33.069 822 HZ3 LYS 104 HZ3 LYS 104 -7.803 21.363 31.844 823 HA PRO 105 HA PRO 105 -5.877 12.407 31.887 824 HB2 PRO 105 HB2 PRO 105 -5.917 11.826 34.570 825 HB3 PRO 105 HB3 PRO 105 -4.461 11.750 33.571 826 HG2 PRO 105 HG2 PRO 105 -5.394 13.927 35.402 827 HG3 PRO 105 HG3 PRO 105 -3.760 13.270 35.186 828 HD2 PRO 105 HD2 PRO 105 -4.508 15.593 34.065 829 HD3 PRO 105 HD3 PRO 105 -3.399 14.477 33.241 830 H THR 106 H THR 106 -7.236 14.947 33.793 831 HA THR 106 HA THR 106 -9.807 13.534 33.986 832 HB THR 106 HB THR 106 -8.888 14.316 36.125 833 HG1 THR 106 HG1 THR 106 -11.303 14.713 35.266 834 HG21 THR 106 HG21 THR 106 -8.683 16.711 36.600 835 HG22 THR 106 HG22 THR 106 -9.060 17.077 34.917 836 HG23 THR 106 HG23 THR 106 -7.579 16.208 35.320 837 H ASP 107 H ASP 107 -8.355 15.317 31.839 838 HA ASP 107 HA ASP 107 -10.296 17.421 31.412 839 HB2 ASP 107 HB2 ASP 107 -7.997 17.952 30.916 840 HB3 ASP 107 HB3 ASP 107 -7.848 16.543 29.871 841 H VAL 108 H VAL 108 -11.774 17.495 29.742 842 HA VAL 108 HA VAL 108 -12.295 14.893 28.465 843 HB VAL 108 HB VAL 108 -14.677 15.578 28.366 844 HG11 VAL 108 HG11 VAL 108 -13.904 14.143 30.162 845 HG12 VAL 108 HG12 VAL 108 -15.146 15.249 30.758 846 HG13 VAL 108 HG13 VAL 108 -13.444 15.554 31.118 847 HG21 VAL 108 HG21 VAL 108 -15.428 17.461 29.770 848 HG22 VAL 108 HG22 VAL 108 -14.418 17.989 28.424 849 HG23 VAL 108 HG23 VAL 108 -13.744 17.901 30.052 850 H GLU 109 H GLU 109 -10.855 17.582 27.599 851 HA GLU 109 HA GLU 109 -12.404 18.239 25.231 852 HB2 GLU 109 HB2 GLU 109 -9.614 19.140 25.987 853 HB3 GLU 109 HB3 GLU 109 -10.620 19.823 24.720 854 HG2 GLU 109 HG2 GLU 109 -11.081 19.954 27.687 855 HG3 GLU 109 HG3 GLU 109 -10.660 21.279 26.606 856 H VAL 110 H VAL 110 -9.708 16.271 26.160 857 HA VAL 110 HA VAL 110 -8.642 15.781 23.608 858 HB VAL 110 HB VAL 110 -7.420 15.434 25.708 859 HG11 VAL 110 HG11 VAL 110 -9.286 13.098 26.102 860 HG12 VAL 110 HG12 VAL 110 -9.181 14.544 27.107 861 HG13 VAL 110 HG13 VAL 110 -7.832 13.408 27.049 862 HG21 VAL 110 HG21 VAL 110 -6.336 13.365 25.092 863 HG22 VAL 110 HG22 VAL 110 -6.724 14.322 23.662 864 HG23 VAL 110 HG23 VAL 110 -7.716 12.929 24.085 865 H LEU 111 H LEU 111 -11.389 14.484 25.289 866 HA LEU 111 HA LEU 111 -11.464 12.148 23.548 867 HB2 LEU 111 HB2 LEU 111 -13.329 11.394 25.000 868 HB3 LEU 111 HB3 LEU 111 -11.799 11.600 25.824 869 HG LEU 111 HG LEU 111 -12.741 13.915 26.513 870 HD11 LEU 111 HD11 LEU 111 -15.155 14.023 26.693 871 HD12 LEU 111 HD12 LEU 111 -15.303 12.464 25.878 872 HD13 LEU 111 HD13 LEU 111 -14.669 13.857 25.003 873 HD21 LEU 111 HD21 LEU 111 -13.886 11.370 27.650 874 HD22 LEU 111 HD22 LEU 111 -13.774 12.923 28.479 875 HD23 LEU 111 HD23 LEU 111 -12.306 12.054 28.033 876 H ASP 112 H ASP 112 -12.282 15.150 23.038 877 HA ASP 112 HA ASP 112 -14.934 14.553 21.936 878 HB2 ASP 112 HB2 ASP 112 -14.474 16.649 23.371 879 HB3 ASP 112 HB3 ASP 112 -13.660 17.279 21.943 880 H GLU 113 H GLU 113 -15.104 16.227 19.841 881 HA GLU 113 HA GLU 113 -13.143 15.076 17.972 882 HB2 GLU 113 HB2 GLU 113 -15.157 15.372 16.338 883 HB3 GLU 113 HB3 GLU 113 -15.137 14.005 17.445 884 HG2 GLU 113 HG2 GLU 113 -16.591 15.211 18.982 885 HG3 GLU 113 HG3 GLU 113 -16.595 16.599 17.897 886 H GLN 114 H GLN 114 -11.768 16.693 17.547 887 HA GLN 114 HA GLN 114 -12.608 19.438 17.519 888 HB2 GLN 114 HB2 GLN 114 -9.933 18.235 16.776 889 HB3 GLN 114 HB3 GLN 114 -10.251 19.935 17.089 890 HG2 GLN 114 HG2 GLN 114 -9.229 19.074 19.025 891 HG3 GLN 114 HG3 GLN 114 -10.934 19.269 19.415 892 HE21 GLN 114 HE21 GLN 114 -10.949 17.757 21.045 893 HE22 GLN 114 HE22 GLN 114 -10.774 16.061 20.750 894 H LYS 115 H LYS 115 -13.984 19.771 15.821 895 HA LYS 115 HA LYS 115 -13.035 19.147 13.138 896 HB2 LYS 115 HB2 LYS 115 -15.269 19.514 12.363 897 HB3 LYS 115 HB3 LYS 115 -15.348 18.493 13.790 898 HG2 LYS 115 HG2 LYS 115 -15.649 21.417 14.168 899 HG3 LYS 115 HG3 LYS 115 -16.984 20.530 13.433 900 HD2 LYS 115 HD2 LYS 115 -15.689 19.876 16.075 901 HD3 LYS 115 HD3 LYS 115 -17.227 20.713 15.868 902 HE2 LYS 115 HE2 LYS 115 -18.022 18.695 14.593 903 HE3 LYS 115 HE3 LYS 115 -16.551 17.878 15.119 904 HZ1 LYS 115 HZ1 LYS 115 -17.287 18.464 17.452 905 HZ2 LYS 115 HZ2 LYS 115 -18.192 17.276 16.649 906 HZ3 LYS 115 HZ3 LYS 115 -18.796 18.856 16.780 907 H GLY 116 H GLY 116 -14.061 21.013 11.550 908 HA2 GLY 116 HA2 GLY 116 -14.116 23.293 11.017 909 HA3 GLY 116 HA3 GLY 116 -13.472 23.663 12.609 910 H LYS 117 H LYS 117 -11.559 21.280 11.619 911 HA LYS 117 HA LYS 117 -9.533 23.121 10.598 912 HB2 LYS 117 HB2 LYS 117 -9.389 20.358 11.796 913 HB3 LYS 117 HB3 LYS 117 -7.996 21.168 11.095 914 HG2 LYS 117 HG2 LYS 117 -9.626 22.336 13.333 915 HG3 LYS 117 HG3 LYS 117 -8.210 21.318 13.587 916 HD2 LYS 117 HD2 LYS 117 -6.880 22.918 12.232 917 HD3 LYS 117 HD3 LYS 117 -8.302 23.957 12.129 918 HE2 LYS 117 HE2 LYS 117 -6.969 23.110 14.696 919 HE3 LYS 117 HE3 LYS 117 -6.694 24.649 13.884 920 HZ1 LYS 117 HZ1 LYS 117 -9.256 23.689 15.052 921 HZ2 LYS 117 HZ2 LYS 117 -9.091 25.110 14.142 922 HZ3 LYS 117 HZ3 LYS 117 -8.279 24.955 15.624 923 H ASP 118 H ASP 118 -7.862 21.662 9.221 924 HA ASP 118 HA ASP 118 -9.345 20.720 6.878 925 HB2 ASP 118 HB2 ASP 118 -7.261 22.390 6.991 926 HB3 ASP 118 HB3 ASP 118 -6.361 20.879 6.978 927 H LYS 119 H LYS 119 -7.301 18.943 5.897 928 HA LYS 119 HA LYS 119 -7.733 16.593 7.438 929 HB2 LYS 119 HB2 LYS 119 -5.863 17.299 5.194 930 HB3 LYS 119 HB3 LYS 119 -5.630 15.798 6.076 931 HG2 LYS 119 HG2 LYS 119 -6.904 15.426 4.050 932 HG3 LYS 119 HG3 LYS 119 -7.885 15.085 5.473 933 HD2 LYS 119 HD2 LYS 119 -9.095 17.096 5.235 934 HD3 LYS 119 HD3 LYS 119 -7.955 17.726 4.042 935 HE2 LYS 119 HE2 LYS 119 -9.915 17.000 2.873 936 HE3 LYS 119 HE3 LYS 119 -8.616 15.862 2.523 937 HZ1 LYS 119 HZ1 LYS 119 -10.968 15.481 4.275 938 HZ2 LYS 119 HZ2 LYS 119 -9.605 14.482 4.397 939 HZ3 LYS 119 HZ3 LYS 119 -10.479 14.544 2.943 940 H GLN 120 H GLN 120 -6.939 16.268 9.403 941 HA GLN 120 HA GLN 120 -4.318 17.451 10.013 942 HB2 GLN 120 HB2 GLN 120 -5.178 17.999 12.288 943 HB3 GLN 120 HB3 GLN 120 -5.938 18.908 10.992 944 HG2 GLN 120 HG2 GLN 120 -7.740 18.359 12.294 945 HG3 GLN 120 HG3 GLN 120 -7.751 17.057 11.112 946 HE21 GLN 120 HE21 GLN 120 -5.435 17.233 13.721 947 HE22 GLN 120 HE22 GLN 120 -6.052 15.885 14.615 948 H LEU 121 H LEU 121 -3.049 16.471 11.548 949 HA LEU 121 HA LEU 121 -3.765 13.696 12.212 950 HB2 LEU 121 HB2 LEU 121 -1.066 15.056 12.108 951 HB3 LEU 121 HB3 LEU 121 -1.323 13.417 12.668 952 HG LEU 121 HG LEU 121 -1.766 14.435 9.863 953 HD11 LEU 121 HD11 LEU 121 0.581 14.163 10.486 954 HD12 LEU 121 HD12 LEU 121 0.084 12.946 9.308 955 HD13 LEU 121 HD13 LEU 121 0.254 12.509 11.009 956 HD21 LEU 121 HD21 LEU 121 -3.424 12.749 10.418 957 HD22 LEU 121 HD22 LEU 121 -2.159 11.679 11.025 958 HD23 LEU 121 HD23 LEU 121 -2.223 12.086 9.309 959 H THR 122 H THR 122 -4.368 13.348 14.232 960 HA THR 122 HA THR 122 -3.686 15.306 16.294 961 HB THR 122 HB THR 122 -5.532 12.915 16.492 962 HG1 THR 122 HG1 THR 122 -7.163 14.276 15.931 963 HG21 THR 122 HG21 THR 122 -5.231 15.377 18.220 964 HG22 THR 122 HG22 THR 122 -4.742 13.737 18.651 965 HG23 THR 122 HG23 THR 122 -6.449 14.119 18.430 966 H LEU 123 H LEU 123 -1.603 14.877 16.921 967 HA LEU 123 HA LEU 123 -0.796 12.140 17.447 968 HB2 LEU 123 HB2 LEU 123 0.718 14.701 17.974 969 HB3 LEU 123 HB3 LEU 123 1.370 13.080 18.089 970 HG LEU 123 HG LEU 123 0.748 14.701 15.654 971 HD11 LEU 123 HD11 LEU 123 3.041 12.929 16.462 972 HD12 LEU 123 HD12 LEU 123 3.002 14.693 16.510 973 HD13 LEU 123 HD13 LEU 123 2.930 13.850 14.961 974 HD21 LEU 123 HD21 LEU 123 0.897 12.692 14.258 975 HD22 LEU 123 HD22 LEU 123 -0.517 12.636 15.310 976 HD23 LEU 123 HD23 LEU 123 0.914 11.684 15.704 977 H ILE 124 H ILE 124 -1.811 11.313 19.184 978 HA ILE 124 HA ILE 124 -1.984 12.889 21.638 979 HB ILE 124 HB ILE 124 -2.968 10.074 21.135 980 HG12 ILE 124 HG12 ILE 124 -4.524 12.671 21.043 981 HG13 ILE 124 HG13 ILE 124 -4.021 11.756 19.626 982 HG21 ILE 124 HG21 ILE 124 -2.662 10.595 23.493 983 HG22 ILE 124 HG22 ILE 124 -4.378 10.479 23.104 984 HG23 ILE 124 HG23 ILE 124 -3.626 12.060 23.310 985 HD11 ILE 124 HD11 ILE 124 -6.346 11.340 20.153 986 HD12 ILE 124 HD12 ILE 124 -5.901 10.802 21.772 987 HD13 ILE 124 HD13 ILE 124 -5.390 9.873 20.362 988 H THR 125 H THR 125 0.080 12.993 22.428 989 HA THR 125 HA THR 125 1.640 10.510 22.560 990 HB THR 125 HB THR 125 2.677 13.298 23.060 991 HG1 THR 125 HG1 THR 125 1.714 13.253 20.988 992 HG21 THR 125 HG21 THR 125 4.804 12.293 22.324 993 HG22 THR 125 HG22 THR 125 3.993 10.739 22.121 994 HG23 THR 125 HG23 THR 125 4.142 11.455 23.727 995 H CYS 126 H CYS 126 1.051 9.510 24.412 996 HA CYS 126 HA CYS 126 0.857 10.978 26.897 997 HB2 CYS 126 HB2 CYS 126 0.691 8.023 26.282 998 HB3 CYS 126 HB3 CYS 126 0.428 8.723 27.875 999 H ASP 127 H ASP 127 2.712 11.689 27.757 1000 HA ASP 127 HA ASP 127 5.150 10.150 27.292 1001 HB2 ASP 127 HB2 ASP 127 4.774 12.993 28.226 1002 HB3 ASP 127 HB3 ASP 127 6.337 12.217 28.008 1003 H ASP 128 H ASP 128 3.052 11.042 29.833 1004 HA ASP 128 HA ASP 128 5.123 10.386 31.808 1005 HB2 ASP 128 HB2 ASP 128 4.323 12.773 31.803 1006 HB3 ASP 128 HB3 ASP 128 2.741 12.174 32.288 1007 H TYR 129 H TYR 129 4.755 8.327 32.160 1008 HA TYR 129 HA TYR 129 2.102 7.333 32.783 1009 HB2 TYR 129 HB2 TYR 129 3.588 5.881 31.520 1010 HB3 TYR 129 HB3 TYR 129 4.813 5.982 32.779 1011 HD1 TYR 129 HD1 TYR 129 1.396 4.720 32.051 1012 HD2 TYR 129 HD2 TYR 129 4.790 4.495 34.604 1013 HE1 TYR 129 HE1 TYR 129 0.451 2.718 33.124 1014 HE2 TYR 129 HE2 TYR 129 3.851 2.501 35.691 1015 HH TYR 129 HH TYR 129 1.683 1.419 36.028 1016 H ASN 130 H ASN 130 1.263 7.408 34.728 1017 HA ASN 130 HA ASN 130 2.957 7.908 37.050 1018 HB2 ASN 130 HB2 ASN 130 0.866 9.222 36.714 1019 HB3 ASN 130 HB3 ASN 130 -0.066 7.736 36.844 1020 HD21 ASN 130 HD21 ASN 130 0.055 10.263 38.453 1021 HD22 ASN 130 HD22 ASN 130 0.260 9.723 40.091 1022 H GLU 131 H GLU 131 3.866 6.186 37.903 1023 HA GLU 131 HA GLU 131 3.044 3.531 37.403 1024 HB2 GLU 131 HB2 GLU 131 4.954 4.614 39.477 1025 HB3 GLU 131 HB3 GLU 131 4.813 2.925 39.012 1026 HG2 GLU 131 HG2 GLU 131 5.600 3.408 36.800 1027 HG3 GLU 131 HG3 GLU 131 5.574 5.140 37.126 1028 H LYS 132 H LYS 132 2.226 5.779 39.911 1029 HA LYS 132 HA LYS 132 1.743 3.988 42.013 1030 HB2 LYS 132 HB2 LYS 132 0.747 6.753 41.443 1031 HB3 LYS 132 HB3 LYS 132 0.455 5.900 42.944 1032 HG2 LYS 132 HG2 LYS 132 3.003 5.616 43.041 1033 HG3 LYS 132 HG3 LYS 132 3.033 6.901 41.830 1034 HD2 LYS 132 HD2 LYS 132 1.815 8.363 43.319 1035 HD3 LYS 132 HD3 LYS 132 1.676 7.061 44.501 1036 HE2 LYS 132 HE2 LYS 132 4.266 8.274 43.550 1037 HE3 LYS 132 HE3 LYS 132 3.463 8.656 45.072 1038 HZ1 LYS 132 HZ1 LYS 132 5.214 7.026 45.398 1039 HZ2 LYS 132 HZ2 LYS 132 4.490 5.978 44.280 1040 HZ3 LYS 132 HZ3 LYS 132 3.702 6.338 45.737 1041 H THR 133 H THR 133 -0.309 5.139 39.405 1042 HA THR 133 HA THR 133 -2.427 3.376 40.418 1043 HB THR 133 HB THR 133 -3.096 5.674 40.833 1044 HG1 THR 133 HG1 THR 133 -4.605 3.988 39.845 1045 HG21 THR 133 HG21 THR 133 -1.751 6.809 39.189 1046 HG22 THR 133 HG22 THR 133 -3.447 7.233 38.953 1047 HG23 THR 133 HG23 THR 133 -2.672 6.069 37.880 1048 H GLY 134 H GLY 134 -0.291 4.018 37.976 1049 HA2 GLY 134 HA2 GLY 134 0.065 2.931 35.991 1050 HA3 GLY 134 HA3 GLY 134 -1.335 1.936 36.354 1051 H VAL 135 H VAL 135 -0.890 5.418 35.717 1052 HA VAL 135 HA VAL 135 -2.565 5.131 33.339 1053 HB VAL 135 HB VAL 135 -4.018 5.752 35.328 1054 HG11 VAL 135 HG11 VAL 135 -4.001 8.069 36.071 1055 HG12 VAL 135 HG12 VAL 135 -2.574 8.381 35.084 1056 HG13 VAL 135 HG13 VAL 135 -2.478 7.263 36.443 1057 HG21 VAL 135 HG21 VAL 135 -4.765 6.113 33.052 1058 HG22 VAL 135 HG22 VAL 135 -3.915 7.658 32.994 1059 HG23 VAL 135 HG23 VAL 135 -5.288 7.446 34.081 1060 H TRP 136 H TRP 136 -2.252 6.780 31.795 1061 HA TRP 136 HA TRP 136 0.214 8.296 32.149 1062 HB2 TRP 136 HB2 TRP 136 -1.526 8.027 29.685 1063 HB3 TRP 136 HB3 TRP 136 0.090 8.716 29.755 1064 HD1 TRP 136 HD1 TRP 136 -1.681 5.302 30.147 1065 HE1 TRP 136 HE1 TRP 136 -0.006 3.456 29.518 1066 HE3 TRP 136 HE3 TRP 136 2.485 8.188 29.451 1067 HZ2 TRP 136 HZ2 TRP 136 2.715 3.247 28.811 1068 HZ3 TRP 136 HZ3 TRP 136 4.584 7.082 28.793 1069 HH2 TRP 136 HH2 TRP 136 4.694 4.664 28.480 1070 H GLU 137 H GLU 137 -0.235 10.064 33.363 1071 HA GLU 137 HA GLU 137 -2.737 11.434 33.241 1072 HB2 GLU 137 HB2 GLU 137 -0.136 12.311 34.500 1073 HB3 GLU 137 HB3 GLU 137 -1.708 13.041 34.777 1074 HG2 GLU 137 HG2 GLU 137 -2.481 10.890 35.727 1075 HG3 GLU 137 HG3 GLU 137 -0.835 10.274 35.559 1076 H LYS 138 H LYS 138 0.559 12.570 32.561 1077 HA LYS 138 HA LYS 138 -0.498 14.886 31.208 1078 HB2 LYS 138 HB2 LYS 138 2.389 14.037 31.526 1079 HB3 LYS 138 HB3 LYS 138 1.821 15.611 30.995 1080 HG2 LYS 138 HG2 LYS 138 2.489 15.885 33.235 1081 HG3 LYS 138 HG3 LYS 138 0.726 15.841 33.272 1082 HD2 LYS 138 HD2 LYS 138 0.719 13.594 34.054 1083 HD3 LYS 138 HD3 LYS 138 2.443 13.415 33.752 1084 HE2 LYS 138 HE2 LYS 138 2.847 15.155 35.495 1085 HE3 LYS 138 HE3 LYS 138 1.121 15.113 35.857 1086 HZ1 LYS 138 HZ1 LYS 138 2.635 13.664 37.272 1087 HZ2 LYS 138 HZ2 LYS 138 2.785 12.657 35.909 1088 HZ3 LYS 138 HZ3 LYS 138 1.263 12.910 36.618 1089 H ARG 139 H ARG 139 -1.207 14.666 29.243 1090 HA ARG 139 HA ARG 139 0.318 13.003 27.366 1091 HB2 ARG 139 HB2 ARG 139 -2.044 12.840 26.214 1092 HB3 ARG 139 HB3 ARG 139 -1.601 11.756 27.525 1093 HG2 ARG 139 HG2 ARG 139 -2.756 13.315 29.095 1094 HG3 ARG 139 HG3 ARG 139 -3.330 14.211 27.689 1095 HD2 ARG 139 HD2 ARG 139 -4.455 12.202 26.867 1096 HD3 ARG 139 HD3 ARG 139 -3.872 11.299 28.264 1097 HE ARG 139 HE ARG 139 -5.383 13.645 28.956 1098 HH11 ARG 139 HH11 ARG 139 -5.579 10.246 28.156 1099 HH12 ARG 139 HH12 ARG 139 -7.117 10.021 28.932 1100 HH21 ARG 139 HH21 ARG 139 -7.413 13.353 29.970 1101 HH22 ARG 139 HH22 ARG 139 -8.156 11.781 29.951 1102 H LYS 140 H LYS 140 1.271 14.145 25.921 1103 HA LYS 140 HA LYS 140 0.529 16.895 25.400 1104 HB2 LYS 140 HB2 LYS 140 2.879 16.301 25.717 1105 HB3 LYS 140 HB3 LYS 140 2.792 15.157 24.389 1106 HG2 LYS 140 HG2 LYS 140 3.931 17.197 23.735 1107 HG3 LYS 140 HG3 LYS 140 2.440 16.979 22.821 1108 HD2 LYS 140 HD2 LYS 140 1.356 18.693 23.942 1109 HD3 LYS 140 HD3 LYS 140 2.469 18.638 25.313 1110 HE2 LYS 140 HE2 LYS 140 3.159 19.562 22.526 1111 HE3 LYS 140 HE3 LYS 140 2.814 20.622 23.892 1112 HZ1 LYS 140 HZ1 LYS 140 4.740 19.810 25.026 1113 HZ2 LYS 140 HZ2 LYS 140 5.213 20.285 23.471 1114 HZ3 LYS 140 HZ3 LYS 140 5.032 18.638 23.834 1115 H ILE 141 H ILE 141 -0.591 17.573 23.645 1116 HA ILE 141 HA ILE 141 -1.120 15.540 21.587 1117 HB ILE 141 HB ILE 141 -3.086 15.841 22.997 1118 HG12 ILE 141 HG12 ILE 141 -3.472 17.056 20.258 1119 HG13 ILE 141 HG13 ILE 141 -3.361 15.331 20.596 1120 HG21 ILE 141 HG21 ILE 141 -2.746 18.091 23.777 1121 HG22 ILE 141 HG22 ILE 141 -4.325 17.963 22.999 1122 HG23 ILE 141 HG23 ILE 141 -2.977 18.719 22.146 1123 HD11 ILE 141 HD11 ILE 141 -5.504 17.191 21.601 1124 HD12 ILE 141 HD12 ILE 141 -5.394 15.463 21.936 1125 HD13 ILE 141 HD13 ILE 141 -5.666 16.025 20.286 1126 H PHE 142 H PHE 142 -0.707 16.070 19.601 1127 HA PHE 142 HA PHE 142 -0.251 18.910 18.950 1128 HB2 PHE 142 HB2 PHE 142 0.995 16.466 17.663 1129 HB3 PHE 142 HB3 PHE 142 1.304 18.133 17.208 1130 HD1 PHE 142 HD1 PHE 142 2.282 15.417 19.284 1131 HD2 PHE 142 HD2 PHE 142 2.376 19.654 18.946 1132 HE1 PHE 142 HE1 PHE 142 4.175 15.495 20.849 1133 HE2 PHE 142 HE2 PHE 142 4.267 19.741 20.509 1134 HZ PHE 142 HZ PHE 142 5.169 17.660 21.464 1135 H VAL 143 H VAL 143 -1.889 19.680 17.739 1136 HA VAL 143 HA VAL 143 -3.216 17.856 15.859 1137 HB VAL 143 HB VAL 143 -3.990 20.684 16.559 1138 HG11 VAL 143 HG11 VAL 143 -6.145 20.094 15.541 1139 HG12 VAL 143 HG12 VAL 143 -5.493 18.515 15.103 1140 HG13 VAL 143 HG13 VAL 143 -4.815 19.979 14.390 1141 HG21 VAL 143 HG21 VAL 143 -4.129 19.243 18.524 1142 HG22 VAL 143 HG22 VAL 143 -5.124 18.102 17.620 1143 HG23 VAL 143 HG23 VAL 143 -5.732 19.720 17.965 1144 H ALA 144 H ALA 144 -1.853 17.702 14.181 1145 HA ALA 144 HA ALA 144 -0.735 20.140 13.024 1146 HB1 ALA 144 HB1 ALA 144 -0.201 17.262 12.313 1147 HB2 ALA 144 HB2 ALA 144 0.771 18.239 13.414 1148 HB3 ALA 144 HB3 ALA 144 0.674 18.669 11.706 1149 H THR 145 H THR 145 -1.785 21.121 11.460 1150 HA THR 145 HA THR 145 -3.900 19.685 10.036 1151 HB THR 145 HB THR 145 -3.337 22.656 10.023 1152 HG1 THR 145 HG1 THR 145 -4.129 21.135 12.066 1153 HG21 THR 145 HG21 THR 145 -4.839 21.896 8.264 1154 HG22 THR 145 HG22 THR 145 -5.735 22.810 9.477 1155 HG23 THR 145 HG23 THR 145 -5.832 21.049 9.448 1156 H GLU 146 H GLU 146 -3.986 19.565 7.798 1157 HA GLU 146 HA GLU 146 -1.679 19.349 6.306 1158 HB2 GLU 146 HB2 GLU 146 -3.910 18.439 5.668 1159 HB3 GLU 146 HB3 GLU 146 -4.420 20.066 5.243 1160 HG2 GLU 146 HG2 GLU 146 -2.667 20.159 3.539 1161 HG3 GLU 146 HG3 GLU 146 -2.188 18.518 3.953 1162 H VAL 147 H VAL 147 -0.297 20.751 5.502 1163 HA VAL 147 HA VAL 147 -1.149 23.541 5.149 1164 HB VAL 147 HB VAL 147 0.252 23.259 7.160 1165 HG11 VAL 147 HG11 VAL 147 2.355 22.322 5.223 1166 HG12 VAL 147 HG12 VAL 147 1.557 21.347 6.457 1167 HG13 VAL 147 HG13 VAL 147 2.615 22.677 6.932 1168 HG21 VAL 147 HG21 VAL 147 1.853 25.017 6.691 1169 HG22 VAL 147 HG22 VAL 147 0.309 25.366 5.911 1170 HG23 VAL 147 HG23 VAL 147 1.661 24.756 4.958 1171 H LYS 148 H LYS 148 -0.132 24.698 3.473 1172 HA LYS 148 HA LYS 148 0.409 23.160 1.146 1173 HB2 LYS 148 HB2 LYS 148 0.815 25.454 0.136 1174 HB3 LYS 148 HB3 LYS 148 -0.775 25.187 0.837 1175 HG2 LYS 148 HG2 LYS 148 0.048 26.325 2.915 1176 HG3 LYS 148 HG3 LYS 148 1.513 26.736 2.026 1177 HD2 LYS 148 HD2 LYS 148 -0.046 28.581 2.007 1178 HD3 LYS 148 HD3 LYS 148 0.156 27.932 0.380 1179 HE2 LYS 148 HE2 LYS 148 -1.929 26.694 0.606 1180 HE3 LYS 148 HE3 LYS 148 -2.122 27.302 2.250 1181 HZ1 LYS 148 HZ1 LYS 148 -2.002 29.030 -0.162 1182 HZ2 LYS 148 HZ2 LYS 148 -2.373 29.513 1.421 1183 HZ3 LYS 148 HZ3 LYS 148 -3.441 28.510 0.567 1184 H1 JPT 201 H7 UNK 201 -1.637 7.250 27.789 1185 H11 JPT 201 H11 UNK 201 -1.359 4.814 27.094 1186 H12 JPT 201 H12 UNK 201 -1.182 5.776 22.558 1187 H13 JPT 201 H13 UNK 201 -1.857 7.831 24.018 1188 H62 JPT 201 H62 UNK 201 -5.538 8.958 24.154 1189 H61 JPT 201 H61 UNK 201 -7.078 8.310 24.760 1190 H3 JPT 201 H3 UNK 201 -7.079 10.648 24.737 1191 H4 JPT 201 H4 UNK 201 -4.040 5.877 29.575 1192 H2 JPT 201 H2 UNK 201 -7.277 7.369 26.940 Start of MODEL 5 1 HA MET 1 HA MET 1 -1.257 -0.970 -1.283 2 HB2 MET 1 HB2 MET 1 0.716 1.321 -1.130 3 HB3 MET 1 HB3 MET 1 -0.791 1.195 -0.235 4 HG2 MET 1 HG2 MET 1 0.064 -0.749 0.953 5 HG3 MET 1 HG3 MET 1 1.569 -0.651 0.041 6 HE1 MET 1 HE1 MET 1 2.733 0.467 3.584 7 HE2 MET 1 HE2 MET 1 2.997 -0.636 2.234 8 HE3 MET 1 HE3 MET 1 1.531 -0.769 3.204 9 H GLN 2 H GLN 2 -2.977 0.331 -1.888 10 HA GLN 2 HA GLN 2 -2.912 1.193 -4.650 11 HB2 GLN 2 HB2 GLN 2 -5.168 1.249 -2.637 12 HB3 GLN 2 HB3 GLN 2 -5.327 1.563 -4.358 13 HG2 GLN 2 HG2 GLN 2 -4.674 -0.722 -4.856 14 HG3 GLN 2 HG3 GLN 2 -4.436 -1.043 -3.138 15 HE21 GLN 2 HE21 GLN 2 -6.769 0.588 -2.406 16 HE22 GLN 2 HE22 GLN 2 -8.150 -0.377 -2.784 17 H ALA 3 H ALA 3 -4.412 3.247 -5.015 18 HA ALA 3 HA ALA 3 -3.136 5.502 -3.719 19 HB1 ALA 3 HB1 ALA 3 -3.532 5.580 -6.125 20 HB2 ALA 3 HB2 ALA 3 -4.437 6.852 -5.305 21 HB3 ALA 3 HB3 ALA 3 -5.265 5.394 -5.858 22 H LYS 4 H LYS 4 -4.627 7.325 -3.028 23 HA LYS 4 HA LYS 4 -5.854 8.064 -1.297 24 HB2 LYS 4 HB2 LYS 4 -7.658 6.228 -2.769 25 HB3 LYS 4 HB3 LYS 4 -8.240 7.017 -1.310 26 HG2 LYS 4 HG2 LYS 4 -7.869 9.182 -2.286 27 HG3 LYS 4 HG3 LYS 4 -7.101 8.451 -3.696 28 HD2 LYS 4 HD2 LYS 4 -9.972 8.000 -2.881 29 HD3 LYS 4 HD3 LYS 4 -9.448 9.158 -4.104 30 HE2 LYS 4 HE2 LYS 4 -8.460 7.315 -5.399 31 HE3 LYS 4 HE3 LYS 4 -9.032 6.168 -4.191 32 HZ1 LYS 4 HZ1 LYS 4 -11.291 6.721 -4.724 33 HZ2 LYS 4 HZ2 LYS 4 -10.479 6.333 -6.162 34 HZ3 LYS 4 HZ3 LYS 4 -10.801 7.954 -5.781 35 HA PRO 5 HA PRO 5 -4.348 4.807 1.417 36 HB2 PRO 5 HB2 PRO 5 -3.837 6.432 3.540 37 HB3 PRO 5 HB3 PRO 5 -2.752 6.275 2.153 38 HG2 PRO 5 HG2 PRO 5 -4.807 8.376 2.727 39 HG3 PRO 5 HG3 PRO 5 -3.145 8.572 2.137 40 HD2 PRO 5 HD2 PRO 5 -5.256 8.680 0.475 41 HD3 PRO 5 HD3 PRO 5 -3.710 7.962 -0.028 42 H GLN 6 H GLN 6 -5.509 3.483 2.574 43 HA GLN 6 HA GLN 6 -7.319 4.483 4.618 44 HB2 GLN 6 HB2 GLN 6 -9.090 2.905 3.967 45 HB3 GLN 6 HB3 GLN 6 -8.781 4.081 2.698 46 HG2 GLN 6 HG2 GLN 6 -7.559 2.462 1.416 47 HG3 GLN 6 HG3 GLN 6 -7.665 1.286 2.727 48 HE21 GLN 6 HE21 GLN 6 -9.364 2.862 0.139 49 HE22 GLN 6 HE22 GLN 6 -10.761 1.841 0.172 50 H ILE 7 H ILE 7 -7.893 2.726 6.173 51 HA ILE 7 HA ILE 7 -5.546 1.039 6.563 52 HB ILE 7 HB ILE 7 -7.861 1.656 8.410 53 HG12 ILE 7 HG12 ILE 7 -5.927 2.655 9.780 54 HG13 ILE 7 HG13 ILE 7 -4.985 2.556 8.299 55 HG21 ILE 7 HG21 ILE 7 -7.119 -0.584 8.871 56 HG22 ILE 7 HG22 ILE 7 -6.530 0.487 10.145 57 HG23 ILE 7 HG23 ILE 7 -5.432 -0.062 8.876 58 HD11 ILE 7 HD11 ILE 7 -7.528 4.118 8.665 59 HD12 ILE 7 HD12 ILE 7 -6.568 4.025 7.188 60 HD13 ILE 7 HD13 ILE 7 -5.892 4.776 8.632 61 HA PRO 8 HA PRO 8 -7.832 -2.575 5.183 62 HB2 PRO 8 HB2 PRO 8 -5.479 -4.112 5.895 63 HB3 PRO 8 HB3 PRO 8 -6.109 -3.748 4.288 64 HG2 PRO 8 HG2 PRO 8 -3.768 -2.730 5.256 65 HG3 PRO 8 HG3 PRO 8 -4.761 -1.915 4.039 66 HD2 PRO 8 HD2 PRO 8 -4.567 -1.400 6.979 67 HD3 PRO 8 HD3 PRO 8 -4.693 -0.245 5.634 68 H LYS 9 H LYS 9 -7.789 -4.997 6.204 69 HA LYS 9 HA LYS 9 -8.782 -4.569 8.881 70 HB2 LYS 9 HB2 LYS 9 -9.711 -6.765 8.774 71 HB3 LYS 9 HB3 LYS 9 -9.991 -6.003 7.220 72 HG2 LYS 9 HG2 LYS 9 -9.359 -8.105 6.578 73 HG3 LYS 9 HG3 LYS 9 -7.809 -7.267 6.528 74 HD2 LYS 9 HD2 LYS 9 -7.657 -9.478 7.620 75 HD3 LYS 9 HD3 LYS 9 -7.215 -8.159 8.705 76 HE2 LYS 9 HE2 LYS 9 -9.510 -8.230 9.645 77 HE3 LYS 9 HE3 LYS 9 -9.850 -9.626 8.625 78 HZ1 LYS 9 HZ1 LYS 9 -7.736 -9.510 10.712 79 HZ2 LYS 9 HZ2 LYS 9 -8.129 -10.859 9.766 80 HZ3 LYS 9 HZ3 LYS 9 -9.244 -10.255 10.891 81 H ASP 10 H ASP 10 -5.851 -5.575 7.469 82 HA ASP 10 HA ASP 10 -5.038 -7.060 9.833 83 HB2 ASP 10 HB2 ASP 10 -4.308 -7.974 7.705 84 HB3 ASP 10 HB3 ASP 10 -3.515 -6.455 7.295 85 H LYS 11 H LYS 11 -4.100 -6.189 11.467 86 HA LYS 11 HA LYS 11 -3.103 -3.436 11.253 87 HB2 LYS 11 HB2 LYS 11 -3.580 -3.277 13.650 88 HB3 LYS 11 HB3 LYS 11 -5.011 -3.757 12.748 89 HG2 LYS 11 HG2 LYS 11 -4.217 -6.164 13.333 90 HG3 LYS 11 HG3 LYS 11 -3.331 -5.339 14.614 91 HD2 LYS 11 HD2 LYS 11 -5.441 -6.014 15.517 92 HD3 LYS 11 HD3 LYS 11 -5.498 -4.263 15.295 93 HE2 LYS 11 HE2 LYS 11 -7.572 -5.272 14.539 94 HE3 LYS 11 HE3 LYS 11 -6.692 -4.581 13.175 95 HZ1 LYS 11 HZ1 LYS 11 -6.639 -7.458 13.918 96 HZ2 LYS 11 HZ2 LYS 11 -5.956 -6.759 12.539 97 HZ3 LYS 11 HZ3 LYS 11 -7.639 -6.802 12.717 98 H SER 12 H SER 12 -1.770 -6.164 10.815 99 HA SER 12 HA SER 12 0.346 -5.991 12.839 100 HB2 SER 12 HB2 SER 12 0.038 -8.180 10.794 101 HB3 SER 12 HB3 SER 12 0.856 -8.242 12.355 102 HG SER 12 HG SER 12 -1.877 -8.372 11.752 103 H LYS 13 H LYS 13 -0.266 -4.664 9.956 104 HA LYS 13 HA LYS 13 2.557 -4.761 9.150 105 HB2 LYS 13 HB2 LYS 13 1.856 -4.407 6.832 106 HB3 LYS 13 HB3 LYS 13 1.186 -5.894 7.486 107 HG2 LYS 13 HG2 LYS 13 -0.970 -5.000 7.619 108 HG3 LYS 13 HG3 LYS 13 -0.385 -3.342 7.449 109 HD2 LYS 13 HD2 LYS 13 -1.447 -4.168 5.387 110 HD3 LYS 13 HD3 LYS 13 0.256 -3.774 5.151 111 HE2 LYS 13 HE2 LYS 13 -0.269 -5.851 4.029 112 HE3 LYS 13 HE3 LYS 13 0.817 -6.157 5.380 113 HZ1 LYS 13 HZ1 LYS 13 -2.121 -6.598 5.371 114 HZ2 LYS 13 HZ2 LYS 13 -1.099 -6.864 6.700 115 HZ3 LYS 13 HZ3 LYS 13 -0.928 -7.801 5.300 116 H VAL 14 H VAL 14 3.164 -2.811 7.811 117 HA VAL 14 HA VAL 14 2.249 -0.430 9.243 118 HB VAL 14 HB VAL 14 4.548 -0.691 7.296 119 HG11 VAL 14 HG11 VAL 14 3.737 1.590 7.594 120 HG12 VAL 14 HG12 VAL 14 5.336 1.386 8.312 121 HG13 VAL 14 HG13 VAL 14 3.905 1.428 9.343 122 HG21 VAL 14 HG21 VAL 14 6.003 -0.787 9.273 123 HG22 VAL 14 HG22 VAL 14 4.913 -2.170 9.192 124 HG23 VAL 14 HG23 VAL 14 4.576 -0.849 10.310 125 H ALA 15 H ALA 15 0.733 0.813 8.353 126 HA ALA 15 HA ALA 15 0.232 0.650 5.480 127 HB1 ALA 15 HB1 ALA 15 -1.358 1.976 7.683 128 HB2 ALA 15 HB2 ALA 15 -1.717 0.436 6.899 129 HB3 ALA 15 HB3 ALA 15 -1.827 1.937 5.983 130 H GLY 16 H GLY 16 1.671 2.710 7.821 131 HA2 GLY 16 HA2 GLY 16 2.558 4.523 5.786 132 HA3 GLY 16 HA3 GLY 16 1.364 5.245 6.856 133 H TYR 17 H TYR 17 3.891 6.268 6.659 134 HA TYR 17 HA TYR 17 5.086 5.548 9.258 135 HB2 TYR 17 HB2 TYR 17 6.464 6.677 6.807 136 HB3 TYR 17 HB3 TYR 17 7.237 6.369 8.357 137 HD1 TYR 17 HD1 TYR 17 5.647 4.766 5.438 138 HD2 TYR 17 HD2 TYR 17 7.988 4.198 8.940 139 HE1 TYR 17 HE1 TYR 17 6.169 2.483 4.706 140 HE2 TYR 17 HE2 TYR 17 8.523 1.910 8.218 141 HH TYR 17 HH TYR 17 7.980 0.797 5.088 142 H ILE 18 H ILE 18 5.622 7.221 10.634 143 HA ILE 18 HA ILE 18 4.591 9.847 9.840 144 HB ILE 18 HB ILE 18 3.573 9.005 11.870 145 HG12 ILE 18 HG12 ILE 18 4.126 10.870 13.418 146 HG13 ILE 18 HG13 ILE 18 5.514 11.259 12.406 147 HG21 ILE 18 HG21 ILE 18 6.355 8.854 12.991 148 HG22 ILE 18 HG22 ILE 18 5.285 7.498 12.632 149 HG23 ILE 18 HG23 ILE 18 4.866 8.635 13.916 150 HD11 ILE 18 HD11 ILE 18 3.647 12.723 11.927 151 HD12 ILE 18 HD12 ILE 18 2.629 11.331 11.557 152 HD13 ILE 18 HD13 ILE 18 4.018 11.706 10.535 153 H GLU 19 H GLU 19 6.056 11.101 9.022 154 HA GLU 19 HA GLU 19 8.811 10.925 10.012 155 HB2 GLU 19 HB2 GLU 19 7.786 11.638 7.265 156 HB3 GLU 19 HB3 GLU 19 9.461 11.837 7.759 157 HG2 GLU 19 HG2 GLU 19 9.623 9.434 8.171 158 HG3 GLU 19 HG3 GLU 19 7.944 9.239 7.669 159 H ILE 20 H ILE 20 9.176 12.479 11.356 160 HA ILE 20 HA ILE 20 8.487 15.234 10.576 161 HB ILE 20 HB ILE 20 8.620 14.218 13.422 162 HG12 ILE 20 HG12 ILE 20 6.147 14.910 11.828 163 HG13 ILE 20 HG13 ILE 20 6.701 13.263 12.105 164 HG21 ILE 20 HG21 ILE 20 9.143 16.584 13.144 165 HG22 ILE 20 HG22 ILE 20 7.594 16.373 13.962 166 HG23 ILE 20 HG23 ILE 20 7.638 16.819 12.256 167 HD11 ILE 20 HD11 ILE 20 5.895 15.224 14.237 168 HD12 ILE 20 HD12 ILE 20 6.415 13.557 14.496 169 HD13 ILE 20 HD13 ILE 20 4.915 13.890 13.629 170 HA PRO 21 HA PRO 21 13.050 14.792 10.717 171 HB2 PRO 21 HB2 PRO 21 13.468 17.092 9.260 172 HB3 PRO 21 HB3 PRO 21 13.225 15.493 8.552 173 HG2 PRO 21 HG2 PRO 21 11.269 17.721 8.923 174 HG3 PRO 21 HG3 PRO 21 11.468 16.620 7.547 175 HD2 PRO 21 HD2 PRO 21 9.503 16.295 9.355 176 HD3 PRO 21 HD3 PRO 21 10.309 14.908 8.591 177 H ASP 22 H ASP 22 10.981 17.461 11.542 178 HA ASP 22 HA ASP 22 12.968 19.093 12.760 179 HB2 ASP 22 HB2 ASP 22 10.800 19.961 11.934 180 HB3 ASP 22 HB3 ASP 22 9.976 19.070 13.203 181 H ALA 23 H ALA 23 11.067 16.381 13.828 182 HA ALA 23 HA ALA 23 11.963 16.856 16.593 183 HB1 ALA 23 HB1 ALA 23 10.131 15.384 17.287 184 HB2 ALA 23 HB2 ALA 23 9.661 15.179 15.600 185 HB3 ALA 23 HB3 ALA 23 9.541 16.766 16.364 186 H ASP 24 H ASP 24 13.030 15.385 14.017 187 HA ASP 24 HA ASP 24 14.443 13.673 13.560 188 HB2 ASP 24 HB2 ASP 24 15.499 14.526 15.675 189 HB3 ASP 24 HB3 ASP 24 14.603 13.297 16.555 190 H ILE 25 H ILE 25 11.579 13.233 13.803 191 HA ILE 25 HA ILE 25 11.398 10.469 14.788 192 HB ILE 25 HB ILE 25 9.245 12.492 14.151 193 HG12 ILE 25 HG12 ILE 25 10.102 11.310 16.800 194 HG13 ILE 25 HG13 ILE 25 10.537 12.916 16.224 195 HG21 ILE 25 HG21 ILE 25 7.654 10.868 15.053 196 HG22 ILE 25 HG22 ILE 25 8.958 9.700 15.268 197 HG23 ILE 25 HG23 ILE 25 8.495 10.212 13.646 198 HD11 ILE 25 HD11 ILE 25 8.191 13.559 16.224 199 HD12 ILE 25 HD12 ILE 25 8.702 12.996 17.816 200 HD13 ILE 25 HD13 ILE 25 7.743 11.945 16.773 201 H LYS 26 H LYS 26 11.714 8.983 13.203 202 HA LYS 26 HA LYS 26 9.960 9.185 10.870 203 HB2 LYS 26 HB2 LYS 26 12.863 8.363 10.625 204 HB3 LYS 26 HB3 LYS 26 11.675 8.361 9.335 205 HG2 LYS 26 HG2 LYS 26 12.556 10.341 8.808 206 HG3 LYS 26 HG3 LYS 26 11.584 10.958 10.147 207 HD2 LYS 26 HD2 LYS 26 13.879 11.739 10.339 208 HD3 LYS 26 HD3 LYS 26 13.501 10.628 11.660 209 HE2 LYS 26 HE2 LYS 26 14.598 8.810 10.427 210 HE3 LYS 26 HE3 LYS 26 14.992 9.936 9.128 211 HZ1 LYS 26 HZ1 LYS 26 15.901 10.275 11.931 212 HZ2 LYS 26 HZ2 LYS 26 16.424 11.139 10.562 213 HZ3 LYS 26 HZ3 LYS 26 16.816 9.498 10.735 214 H GLU 27 H GLU 27 8.695 7.646 12.007 215 HA GLU 27 HA GLU 27 9.851 4.948 12.079 216 HB2 GLU 27 HB2 GLU 27 8.377 6.341 14.313 217 HB3 GLU 27 HB3 GLU 27 8.591 4.598 14.253 218 HG2 GLU 27 HG2 GLU 27 10.879 6.549 14.214 219 HG3 GLU 27 HG3 GLU 27 10.220 5.844 15.689 220 HA PRO 28 HA PRO 28 6.075 3.660 10.232 221 HB2 PRO 28 HB2 PRO 28 5.737 1.164 11.202 222 HB3 PRO 28 HB3 PRO 28 7.045 1.573 10.087 223 HG2 PRO 28 HG2 PRO 28 7.117 1.257 13.059 224 HG3 PRO 28 HG3 PRO 28 8.279 0.690 11.845 225 HD2 PRO 28 HD2 PRO 28 8.647 2.942 13.338 226 HD3 PRO 28 HD3 PRO 28 9.316 2.733 11.708 227 H VAL 29 H VAL 29 3.904 3.727 10.488 228 HA VAL 29 HA VAL 29 2.830 3.694 13.230 229 HB VAL 29 HB VAL 29 1.586 4.844 10.717 230 HG11 VAL 29 HG11 VAL 29 -0.122 4.014 12.236 231 HG12 VAL 29 HG12 VAL 29 -0.116 5.777 12.232 232 HG13 VAL 29 HG13 VAL 29 0.612 4.896 13.575 233 HG21 VAL 29 HG21 VAL 29 3.464 6.180 11.490 234 HG22 VAL 29 HG22 VAL 29 2.782 6.225 13.117 235 HG23 VAL 29 HG23 VAL 29 1.943 7.024 11.788 236 H TYR 30 H TYR 30 1.549 2.073 13.810 237 HA TYR 30 HA TYR 30 0.773 0.122 11.770 238 HB2 TYR 30 HB2 TYR 30 0.859 -0.082 14.788 239 HB3 TYR 30 HB3 TYR 30 0.318 -1.370 13.715 240 HD1 TYR 30 HD1 TYR 30 3.168 0.294 15.181 241 HD2 TYR 30 HD2 TYR 30 1.950 -2.396 12.116 242 HE1 TYR 30 HE1 TYR 30 5.488 -0.490 14.952 243 HE2 TYR 30 HE2 TYR 30 4.266 -3.182 11.877 244 HH TYR 30 HH TYR 30 6.541 -2.398 12.344 245 HA PRO 31 HA PRO 31 -3.195 2.092 12.100 246 HB2 PRO 31 HB2 PRO 31 -4.340 0.916 10.004 247 HB3 PRO 31 HB3 PRO 31 -3.013 2.063 9.780 248 HG2 PRO 31 HG2 PRO 31 -2.928 -0.938 9.800 249 HG3 PRO 31 HG3 PRO 31 -2.188 0.187 8.648 250 HD2 PRO 31 HD2 PRO 31 -0.819 -0.940 10.711 251 HD3 PRO 31 HD3 PRO 31 -0.427 0.658 10.042 252 H GLY 32 H GLY 32 -5.081 1.598 13.135 253 HA2 GLY 32 HA2 GLY 32 -6.783 -0.390 12.978 254 HA3 GLY 32 HA3 GLY 32 -5.499 -1.197 13.864 255 HA PRO 33 HA PRO 33 -8.292 0.766 16.939 256 HB2 PRO 33 HB2 PRO 33 -9.042 -1.418 18.231 257 HB3 PRO 33 HB3 PRO 33 -9.659 -1.061 16.618 258 HG2 PRO 33 HG2 PRO 33 -7.510 -2.976 17.423 259 HG3 PRO 33 HG3 PRO 33 -8.813 -3.195 16.243 260 HD2 PRO 33 HD2 PRO 33 -6.203 -2.464 15.642 261 HD3 PRO 33 HD3 PRO 33 -7.607 -2.223 14.584 262 H ALA 34 H ALA 34 -5.352 0.334 17.024 263 HA ALA 34 HA ALA 34 -3.616 0.470 18.488 264 HB1 ALA 34 HB1 ALA 34 -5.757 1.271 20.457 265 HB2 ALA 34 HB2 ALA 34 -4.961 2.355 19.318 266 HB3 ALA 34 HB3 ALA 34 -4.026 1.586 20.600 267 H THR 35 H THR 35 -4.073 -2.067 18.131 268 HA THR 35 HA THR 35 -4.841 -3.570 20.398 269 HB THR 35 HB THR 35 -3.293 -5.327 19.106 270 HG1 THR 35 HG1 THR 35 -2.899 -4.756 17.052 271 HG21 THR 35 HG21 THR 35 -5.254 -5.893 17.729 272 HG22 THR 35 HG22 THR 35 -5.972 -4.331 18.124 273 HG23 THR 35 HG23 THR 35 -5.706 -5.524 19.395 274 HA PRO 36 HA PRO 36 -1.728 -3.004 23.370 275 HB2 PRO 36 HB2 PRO 36 -1.291 -5.764 23.910 276 HB3 PRO 36 HB3 PRO 36 -2.322 -4.640 24.795 277 HG2 PRO 36 HG2 PRO 36 -3.030 -6.607 22.694 278 HG3 PRO 36 HG3 PRO 36 -4.003 -5.999 24.046 279 HD2 PRO 36 HD2 PRO 36 -4.484 -5.219 21.533 280 HD3 PRO 36 HD3 PRO 36 -4.627 -4.077 22.888 281 H GLU 37 H GLU 37 -0.906 -5.955 21.513 282 HA GLU 37 HA GLU 37 1.877 -5.737 21.938 283 HB2 GLU 37 HB2 GLU 37 0.193 -7.227 19.930 284 HB3 GLU 37 HB3 GLU 37 1.948 -7.311 19.899 285 HG2 GLU 37 HG2 GLU 37 0.364 -7.968 22.357 286 HG3 GLU 37 HG3 GLU 37 0.712 -9.164 21.107 287 H GLN 38 H GLN 38 -0.221 -4.415 19.445 288 HA GLN 38 HA GLN 38 1.991 -3.810 17.690 289 HB2 GLN 38 HB2 GLN 38 -0.626 -4.292 17.215 290 HB3 GLN 38 HB3 GLN 38 -0.626 -2.531 17.198 291 HG2 GLN 38 HG2 GLN 38 -0.302 -3.373 14.965 292 HG3 GLN 38 HG3 GLN 38 1.159 -2.555 15.520 293 HE21 GLN 38 HE21 GLN 38 0.181 -5.759 16.535 294 HE22 GLN 38 HE22 GLN 38 1.474 -6.605 15.765 295 H LEU 39 H LEU 39 -0.100 -2.071 19.924 296 HA LEU 39 HA LEU 39 1.068 0.486 19.381 297 HB2 LEU 39 HB2 LEU 39 -1.198 0.394 20.136 298 HB3 LEU 39 HB3 LEU 39 -0.768 -0.601 21.513 299 HG LEU 39 HG LEU 39 0.502 1.312 22.423 300 HD11 LEU 39 HD11 LEU 39 0.905 2.535 20.364 301 HD12 LEU 39 HD12 LEU 39 0.059 3.552 21.530 302 HD13 LEU 39 HD13 LEU 39 -0.825 2.829 20.185 303 HD21 LEU 39 HD21 LEU 39 -1.480 2.559 23.168 304 HD22 LEU 39 HD22 LEU 39 -1.733 0.814 23.218 305 HD23 LEU 39 HD23 LEU 39 -2.431 1.769 21.910 306 H ASN 40 H ASN 40 1.882 -2.266 21.157 307 HA ASN 40 HA ASN 40 3.519 -1.089 23.175 308 HB2 ASN 40 HB2 ASN 40 2.551 -3.362 23.329 309 HB3 ASN 40 HB3 ASN 40 3.546 -3.870 21.973 310 HD21 ASN 40 HD21 ASN 40 4.548 -5.454 23.102 311 HD22 ASN 40 HD22 ASN 40 5.695 -5.149 24.356 312 H ARG 41 H ARG 41 4.088 -2.453 19.962 313 HA ARG 41 HA ARG 41 6.918 -1.862 20.096 314 HB2 ARG 41 HB2 ARG 41 6.952 -2.787 17.767 315 HB3 ARG 41 HB3 ARG 41 6.358 -3.899 18.992 316 HG2 ARG 41 HG2 ARG 41 4.053 -3.402 18.306 317 HG3 ARG 41 HG3 ARG 41 4.671 -2.318 17.059 318 HD2 ARG 41 HD2 ARG 41 5.328 -5.254 17.252 319 HD3 ARG 41 HD3 ARG 41 4.064 -4.581 16.222 320 HE ARG 41 HE ARG 41 5.924 -3.289 15.135 321 HH11 ARG 41 HH11 ARG 41 6.520 -6.349 16.730 322 HH12 ARG 41 HH12 ARG 41 7.895 -6.735 15.739 323 HH21 ARG 41 HH21 ARG 41 7.707 -3.795 13.830 324 HH22 ARG 41 HH22 ARG 41 8.578 -5.278 14.091 325 H GLY 42 H GLY 42 4.055 -0.604 18.439 326 HA2 GLY 42 HA2 GLY 42 5.694 1.696 17.597 327 HA3 GLY 42 HA3 GLY 42 4.638 0.894 16.445 328 H VAL 43 H VAL 43 3.581 2.913 16.145 329 HA VAL 43 HA VAL 43 1.810 3.673 18.377 330 HB VAL 43 HB VAL 43 2.630 5.382 16.017 331 HG11 VAL 43 HG11 VAL 43 1.655 7.214 17.307 332 HG12 VAL 43 HG12 VAL 43 1.163 6.069 18.555 333 HG13 VAL 43 HG13 VAL 43 0.463 5.967 16.940 334 HG21 VAL 43 HG21 VAL 43 3.624 5.469 18.863 335 HG22 VAL 43 HG22 VAL 43 4.022 6.628 17.594 336 HG23 VAL 43 HG23 VAL 43 4.551 4.951 17.455 337 H SER 44 H SER 44 -0.400 3.881 17.949 338 HA SER 44 HA SER 44 -1.275 2.991 15.291 339 HB2 SER 44 HB2 SER 44 -1.266 1.143 17.085 340 HB3 SER 44 HB3 SER 44 -2.601 2.025 17.825 341 HG SER 44 HG SER 44 -2.529 1.040 15.158 342 H PHE 45 H PHE 45 -3.929 3.090 15.519 343 HA PHE 45 HA PHE 45 -4.410 5.930 16.000 344 HB2 PHE 45 HB2 PHE 45 -6.060 3.856 14.547 345 HB3 PHE 45 HB3 PHE 45 -6.533 5.539 14.747 346 HD1 PHE 45 HD1 PHE 45 -5.205 3.315 12.508 347 HD2 PHE 45 HD2 PHE 45 -4.493 7.208 14.072 348 HE1 PHE 45 HE1 PHE 45 -3.948 3.896 10.476 349 HE2 PHE 45 HE2 PHE 45 -3.235 7.798 12.044 350 HZ PHE 45 HZ PHE 45 -2.966 6.146 10.243 351 H ALA 46 H ALA 46 -6.433 6.609 16.998 352 HA ALA 46 HA ALA 46 -6.804 5.302 19.504 353 HB1 ALA 46 HB1 ALA 46 -8.406 7.070 19.980 354 HB2 ALA 46 HB2 ALA 46 -8.386 7.564 18.287 355 HB3 ALA 46 HB3 ALA 46 -6.934 7.736 19.275 356 H GLU 47 H GLU 47 -8.525 5.267 16.467 357 HA GLU 47 HA GLU 47 -10.309 3.238 17.591 358 HB2 GLU 47 HB2 GLU 47 -11.191 5.572 15.889 359 HB3 GLU 47 HB3 GLU 47 -12.174 4.143 16.171 360 HG2 GLU 47 HG2 GLU 47 -11.776 4.698 18.677 361 HG3 GLU 47 HG3 GLU 47 -11.397 6.303 18.058 362 H GLU 48 H GLU 48 -11.437 2.005 15.854 363 HA GLU 48 HA GLU 48 -9.431 1.126 13.971 364 HB2 GLU 48 HB2 GLU 48 -10.759 -0.473 15.297 365 HB3 GLU 48 HB3 GLU 48 -12.222 0.095 14.510 366 HG2 GLU 48 HG2 GLU 48 -11.271 -0.662 12.341 367 HG3 GLU 48 HG3 GLU 48 -9.922 -1.363 13.236 368 H ASN 49 H ASN 49 -12.450 2.874 13.918 369 HA ASN 49 HA ASN 49 -12.785 2.604 11.051 370 HB2 ASN 49 HB2 ASN 49 -14.703 2.631 12.687 371 HB3 ASN 49 HB3 ASN 49 -14.362 4.332 12.973 372 HD21 ASN 49 HD21 ASN 49 -14.128 2.721 9.855 373 HD22 ASN 49 HD22 ASN 49 -15.438 3.566 9.115 374 H GLU 50 H GLU 50 -10.375 3.950 12.001 375 HA GLU 50 HA GLU 50 -10.789 6.771 11.453 376 HB2 GLU 50 HB2 GLU 50 -9.132 5.744 13.163 377 HB3 GLU 50 HB3 GLU 50 -8.112 5.434 11.765 378 HG2 GLU 50 HG2 GLU 50 -7.389 7.471 12.725 379 HG3 GLU 50 HG3 GLU 50 -8.245 7.874 11.237 380 H SER 51 H SER 51 -9.760 7.881 9.700 381 HA SER 51 HA SER 51 -9.091 6.135 7.420 382 HB2 SER 51 HB2 SER 51 -10.633 8.741 7.330 383 HB3 SER 51 HB3 SER 51 -10.186 7.760 5.934 384 HG SER 51 HG SER 51 -12.012 7.166 8.014 385 H LEU 52 H LEU 52 -7.548 6.951 5.919 386 HA LEU 52 HA LEU 52 -5.613 8.710 7.208 387 HB2 LEU 52 HB2 LEU 52 -5.392 6.939 4.777 388 HB3 LEU 52 HB3 LEU 52 -4.082 7.913 5.416 389 HG LEU 52 HG LEU 52 -5.459 5.714 6.954 390 HD11 LEU 52 HD11 LEU 52 -3.444 4.399 6.541 391 HD12 LEU 52 HD12 LEU 52 -2.817 5.680 5.503 392 HD13 LEU 52 HD13 LEU 52 -4.271 4.797 5.035 393 HD21 LEU 52 HD21 LEU 52 -4.462 7.457 8.343 394 HD22 LEU 52 HD22 LEU 52 -2.930 7.261 7.493 395 HD23 LEU 52 HD23 LEU 52 -3.568 5.943 8.475 396 H ASP 53 H ASP 53 -8.153 9.299 5.343 397 HA ASP 53 HA ASP 53 -6.827 11.599 4.076 398 HB2 ASP 53 HB2 ASP 53 -7.437 9.744 2.430 399 HB3 ASP 53 HB3 ASP 53 -9.119 10.107 2.789 400 H ASP 54 H ASP 54 -8.671 10.765 6.458 401 HA ASP 54 HA ASP 54 -11.055 12.332 5.992 402 HB2 ASP 54 HB2 ASP 54 -11.051 10.220 7.356 403 HB3 ASP 54 HB3 ASP 54 -10.108 11.071 8.576 404 H GLN 55 H GLN 55 -11.691 13.987 7.626 405 HA GLN 55 HA GLN 55 -9.750 16.061 7.668 406 HB2 GLN 55 HB2 GLN 55 -12.249 16.345 7.463 407 HB3 GLN 55 HB3 GLN 55 -12.387 15.926 9.160 408 HG2 GLN 55 HG2 GLN 55 -10.537 18.128 8.553 409 HG3 GLN 55 HG3 GLN 55 -12.234 18.444 8.207 410 HE21 GLN 55 HE21 GLN 55 -9.857 17.944 10.650 411 HE22 GLN 55 HE22 GLN 55 -10.867 18.316 12.007 412 H ASN 56 H ASN 56 -10.797 13.634 9.979 413 HA ASN 56 HA ASN 56 -8.834 14.780 11.854 414 HB2 ASN 56 HB2 ASN 56 -10.092 14.235 13.726 415 HB3 ASN 56 HB3 ASN 56 -11.312 14.784 12.594 416 HD21 ASN 56 HD21 ASN 56 -11.481 12.346 11.048 417 HD22 ASN 56 HD22 ASN 56 -12.199 11.158 12.077 418 H ILE 57 H ILE 57 -7.252 13.507 12.610 419 HA ILE 57 HA ILE 57 -7.516 10.608 12.310 420 HB ILE 57 HB ILE 57 -5.064 12.158 11.448 421 HG12 ILE 57 HG12 ILE 57 -7.038 10.517 9.848 422 HG13 ILE 57 HG13 ILE 57 -6.920 12.273 9.835 423 HG21 ILE 57 HG21 ILE 57 -5.598 9.187 11.462 424 HG22 ILE 57 HG22 ILE 57 -4.475 10.048 12.514 425 HG23 ILE 57 HG23 ILE 57 -4.174 9.971 10.777 426 HD11 ILE 57 HD11 ILE 57 -4.812 10.350 8.912 427 HD12 ILE 57 HD12 ILE 57 -4.680 12.108 8.905 428 HD13 ILE 57 HD13 ILE 57 -5.878 11.309 7.886 429 H SER 58 H SER 58 -7.210 9.722 14.187 430 HA SER 58 HA SER 58 -5.842 11.256 16.280 431 HB2 SER 58 HB2 SER 58 -7.531 8.788 16.675 432 HB3 SER 58 HB3 SER 58 -7.155 10.055 17.844 433 HG SER 58 HG SER 58 -8.891 10.156 15.609 434 H ILE 59 H ILE 59 -3.708 10.770 16.263 435 HA ILE 59 HA ILE 59 -2.890 7.960 16.050 436 HB ILE 59 HB ILE 59 -1.166 10.450 16.078 437 HG12 ILE 59 HG12 ILE 59 -2.072 8.725 13.759 438 HG13 ILE 59 HG13 ILE 59 -2.594 10.374 14.084 439 HG21 ILE 59 HG21 ILE 59 0.607 8.969 15.275 440 HG22 ILE 59 HG22 ILE 59 -0.490 7.592 15.394 441 HG23 ILE 59 HG23 ILE 59 0.004 8.454 16.852 442 HD11 ILE 59 HD11 ILE 59 -0.361 11.198 13.675 443 HD12 ILE 59 HD12 ILE 59 -0.913 10.237 12.302 444 HD13 ILE 59 HD13 ILE 59 0.234 9.552 13.455 445 H ALA 60 H ALA 60 -2.622 6.860 17.893 446 HA ALA 60 HA ALA 60 -2.351 8.403 20.388 447 HB1 ALA 60 HB1 ALA 60 -4.410 7.100 20.149 448 HB2 ALA 60 HB2 ALA 60 -3.423 6.539 21.498 449 HB3 ALA 60 HB3 ALA 60 -3.452 5.628 19.986 450 H GLY 61 H GLY 61 -0.495 8.286 21.456 451 HA2 GLY 61 HA2 GLY 61 1.069 5.790 21.255 452 HA3 GLY 61 HA3 GLY 61 1.844 7.366 21.157 453 H HIS 62 H HIS 62 2.702 5.599 23.026 454 HA HIS 62 HA HIS 62 1.950 6.976 25.491 455 HB2 HIS 62 HB2 HIS 62 1.717 4.983 26.782 456 HB3 HIS 62 HB3 HIS 62 0.711 4.758 25.359 457 HD1 HIS 62 HD1 HIS 62 1.682 3.074 23.513 458 HD2 HIS 62 HD2 HIS 62 3.656 3.077 27.171 459 HE1 HIS 62 HE1 HIS 62 3.045 0.965 23.548 460 H THR 63 H THR 63 3.719 7.599 26.605 461 HA THR 63 HA THR 63 6.245 7.501 25.500 462 HB THR 63 HB THR 63 5.813 7.741 28.474 463 HG1 THR 63 HG1 THR 63 5.664 10.018 26.871 464 HG21 THR 63 HG21 THR 63 7.643 9.358 28.302 465 HG22 THR 63 HG22 THR 63 7.706 9.119 26.554 466 HG23 THR 63 HG23 THR 63 8.134 7.797 27.642 467 H PHE 64 H PHE 64 7.401 5.775 25.074 468 HA PHE 64 HA PHE 64 7.198 3.351 26.610 469 HB2 PHE 64 HB2 PHE 64 7.537 3.640 24.044 470 HB3 PHE 64 HB3 PHE 64 9.232 3.864 24.456 471 HD1 PHE 64 HD1 PHE 64 10.578 2.026 25.219 472 HD2 PHE 64 HD2 PHE 64 6.442 1.499 24.378 473 HE1 PHE 64 HE1 PHE 64 10.889 -0.413 25.235 474 HE2 PHE 64 HE2 PHE 64 6.745 -0.943 24.399 475 HZ PHE 64 HZ PHE 64 8.974 -1.901 24.825 476 H ILE 65 H ILE 65 8.549 2.676 28.165 477 HA ILE 65 HA ILE 65 10.364 4.578 29.288 478 HB ILE 65 HB ILE 65 9.764 1.728 30.092 479 HG12 ILE 65 HG12 ILE 65 7.815 3.183 30.271 480 HG13 ILE 65 HG13 ILE 65 8.417 2.787 31.877 481 HG21 ILE 65 HG21 ILE 65 11.950 2.393 30.906 482 HG22 ILE 65 HG22 ILE 65 10.798 2.302 32.240 483 HG23 ILE 65 HG23 ILE 65 11.268 3.872 31.586 484 HD11 ILE 65 HD11 ILE 65 8.905 5.365 30.401 485 HD12 ILE 65 HD12 ILE 65 9.490 4.971 32.018 486 HD13 ILE 65 HD13 ILE 65 7.759 5.121 31.718 487 H ASP 66 H ASP 66 10.735 1.344 27.864 488 HA ASP 66 HA ASP 66 13.565 1.313 28.244 489 HB2 ASP 66 HB2 ASP 66 11.622 -0.481 26.835 490 HB3 ASP 66 HB3 ASP 66 13.355 -0.709 26.625 491 H ARG 67 H ARG 67 11.762 3.022 26.101 492 HA ARG 67 HA ARG 67 14.090 3.280 24.337 493 HB2 ARG 67 HB2 ARG 67 11.192 3.139 23.522 494 HB3 ARG 67 HB3 ARG 67 12.398 3.916 22.507 495 HG2 ARG 67 HG2 ARG 67 13.658 1.811 22.415 496 HG3 ARG 67 HG3 ARG 67 12.413 1.038 23.398 497 HD2 ARG 67 HD2 ARG 67 11.818 2.379 20.769 498 HD3 ARG 67 HD3 ARG 67 12.270 0.680 20.887 499 HE ARG 67 HE ARG 67 10.176 1.021 22.643 500 HH11 ARG 67 HH11 ARG 67 10.663 1.508 19.198 501 HH12 ARG 67 HH12 ARG 67 9.032 1.071 18.788 502 HH21 ARG 67 HH21 ARG 67 8.023 0.429 22.077 503 HH22 ARG 67 HH22 ARG 67 7.550 0.454 20.410 504 HA PRO 68 HA PRO 68 13.311 7.283 26.346 505 HB2 PRO 68 HB2 PRO 68 15.835 8.219 26.028 506 HB3 PRO 68 HB3 PRO 68 15.385 7.106 27.325 507 HG2 PRO 68 HG2 PRO 68 16.691 6.522 24.694 508 HG3 PRO 68 HG3 PRO 68 17.096 5.896 26.306 509 HD2 PRO 68 HD2 PRO 68 15.663 4.459 24.526 510 HD3 PRO 68 HD3 PRO 68 15.376 4.350 26.273 511 H ASN 69 H ASN 69 14.243 6.470 23.168 512 HA ASN 69 HA ASN 69 13.392 9.078 22.222 513 HB2 ASN 69 HB2 ASN 69 16.010 8.850 22.596 514 HB3 ASN 69 HB3 ASN 69 15.927 8.023 21.045 515 HD21 ASN 69 HD21 ASN 69 17.083 10.619 21.936 516 HD22 ASN 69 HD22 ASN 69 16.429 11.788 20.834 517 H TYR 70 H TYR 70 11.743 7.248 21.900 518 HA TYR 70 HA TYR 70 12.161 5.878 19.337 519 HB2 TYR 70 HB2 TYR 70 10.256 4.522 19.897 520 HB3 TYR 70 HB3 TYR 70 11.233 4.624 21.356 521 HD1 TYR 70 HD1 TYR 70 10.538 6.546 23.029 522 HD2 TYR 70 HD2 TYR 70 7.991 4.930 20.034 523 HE1 TYR 70 HE1 TYR 70 8.579 7.417 24.225 524 HE2 TYR 70 HE2 TYR 70 6.028 5.797 21.222 525 HH TYR 70 HH TYR 70 6.237 8.126 23.583 526 H GLN 71 H GLN 71 9.367 5.830 18.652 527 HA GLN 71 HA GLN 71 8.988 7.943 17.002 528 HB2 GLN 71 HB2 GLN 71 6.737 6.652 18.548 529 HB3 GLN 71 HB3 GLN 71 6.605 7.485 17.010 530 HG2 GLN 71 HG2 GLN 71 6.540 5.295 16.359 531 HG3 GLN 71 HG3 GLN 71 8.255 5.661 16.180 532 HE21 GLN 71 HE21 GLN 71 5.863 3.976 18.053 533 HE22 GLN 71 HE22 GLN 71 6.961 2.963 18.916 534 H PHE 72 H PHE 72 7.053 7.844 20.017 535 HA PHE 72 HA PHE 72 6.971 10.766 19.864 536 HB2 PHE 72 HB2 PHE 72 5.156 8.826 21.291 537 HB3 PHE 72 HB3 PHE 72 5.027 10.574 21.430 538 HD1 PHE 72 HD1 PHE 72 2.815 8.811 20.519 539 HD2 PHE 72 HD2 PHE 72 5.893 10.780 18.335 540 HE1 PHE 72 HE1 PHE 72 1.369 8.864 18.532 541 HE2 PHE 72 HE2 PHE 72 4.450 10.835 16.344 542 HZ PHE 72 HZ PHE 72 2.183 9.878 16.443 543 H THR 73 H THR 73 9.146 10.808 20.774 544 HA THR 73 HA THR 73 8.883 11.140 23.681 545 HB THR 73 HB THR 73 11.609 10.562 23.156 546 HG1 THR 73 HG1 THR 73 10.983 9.387 21.324 547 HG21 THR 73 HG21 THR 73 10.471 10.222 25.284 548 HG22 THR 73 HG22 THR 73 11.207 8.715 24.737 549 HG23 THR 73 HG23 THR 73 9.468 8.962 24.566 550 H ASN 74 H ASN 74 10.940 11.753 20.854 551 HA ASN 74 HA ASN 74 11.872 14.253 21.991 552 HB2 ASN 74 HB2 ASN 74 13.355 12.590 20.757 553 HB3 ASN 74 HB3 ASN 74 12.548 13.098 19.278 554 HD21 ASN 74 HD21 ASN 74 13.198 14.925 18.289 555 HD22 ASN 74 HD22 ASN 74 14.444 15.971 18.889 556 H LEU 75 H LEU 75 9.087 13.519 20.790 557 HA LEU 75 HA LEU 75 8.583 15.157 18.574 558 HB2 LEU 75 HB2 LEU 75 7.043 13.429 19.343 559 HB3 LEU 75 HB3 LEU 75 6.748 14.326 20.818 560 HG LEU 75 HG LEU 75 5.684 16.123 19.520 561 HD11 LEU 75 HD11 LEU 75 5.164 15.764 17.148 562 HD12 LEU 75 HD12 LEU 75 6.162 14.309 17.156 563 HD13 LEU 75 HD13 LEU 75 6.900 15.886 17.432 564 HD21 LEU 75 HD21 LEU 75 4.585 13.374 18.959 565 HD22 LEU 75 HD22 LEU 75 3.676 14.883 18.883 566 HD23 LEU 75 HD23 LEU 75 4.325 14.319 20.424 567 H LYS 76 H LYS 76 9.061 15.918 21.892 568 HA LYS 76 HA LYS 76 7.734 18.425 21.921 569 HB2 LYS 76 HB2 LYS 76 9.237 18.813 23.977 570 HB3 LYS 76 HB3 LYS 76 8.047 17.525 24.043 571 HG2 LYS 76 HG2 LYS 76 10.041 16.705 25.013 572 HG3 LYS 76 HG3 LYS 76 9.872 15.916 23.457 573 HD2 LYS 76 HD2 LYS 76 11.476 17.553 22.510 574 HD3 LYS 76 HD3 LYS 76 11.685 18.230 24.128 575 HE2 LYS 76 HE2 LYS 76 12.290 15.393 23.299 576 HE3 LYS 76 HE3 LYS 76 13.478 16.664 23.578 577 HZ1 LYS 76 HZ1 LYS 76 13.196 15.110 25.462 578 HZ2 LYS 76 HZ2 LYS 76 11.603 15.661 25.657 579 HZ3 LYS 76 HZ3 LYS 76 12.901 16.729 25.877 580 H ALA 77 H ALA 77 10.537 17.461 20.385 581 HA ALA 77 HA ALA 77 11.814 20.069 20.445 582 HB1 ALA 77 HB1 ALA 77 13.473 19.071 18.965 583 HB2 ALA 77 HB2 ALA 77 12.484 17.619 18.818 584 HB3 ALA 77 HB3 ALA 77 13.194 18.048 20.374 585 H ALA 78 H ALA 78 9.108 19.058 19.062 586 HA ALA 78 HA ALA 78 9.579 20.183 16.400 587 HB1 ALA 78 HB1 ALA 78 7.188 18.746 17.561 588 HB2 ALA 78 HB2 ALA 78 8.407 18.058 16.486 589 HB3 ALA 78 HB3 ALA 78 7.320 19.319 15.898 590 H LYS 79 H LYS 79 8.797 22.033 15.728 591 HA LYS 79 HA LYS 79 7.279 23.642 17.649 592 HB2 LYS 79 HB2 LYS 79 9.203 24.417 15.462 593 HB3 LYS 79 HB3 LYS 79 8.189 25.582 16.304 594 HG2 LYS 79 HG2 LYS 79 10.235 25.678 17.414 595 HG3 LYS 79 HG3 LYS 79 9.216 24.677 18.438 596 HD2 LYS 79 HD2 LYS 79 11.454 23.759 18.268 597 HD3 LYS 79 HD3 LYS 79 10.258 22.675 17.559 598 HE2 LYS 79 HE2 LYS 79 10.853 23.523 15.327 599 HE3 LYS 79 HE3 LYS 79 12.088 24.545 16.064 600 HZ1 LYS 79 HZ1 LYS 79 12.679 22.201 15.121 601 HZ2 LYS 79 HZ2 LYS 79 12.120 21.669 16.632 602 HZ3 LYS 79 HZ3 LYS 79 13.411 22.766 16.546 603 H LYS 80 H LYS 80 6.359 25.643 16.029 604 HA LYS 80 HA LYS 80 3.953 24.419 15.236 605 HB2 LYS 80 HB2 LYS 80 3.222 26.651 14.600 606 HB3 LYS 80 HB3 LYS 80 4.034 26.675 16.155 607 HG2 LYS 80 HG2 LYS 80 6.121 27.364 14.826 608 HG3 LYS 80 HG3 LYS 80 4.986 27.725 13.523 609 HD2 LYS 80 HD2 LYS 80 4.960 28.892 16.304 610 HD3 LYS 80 HD3 LYS 80 5.428 29.726 14.822 611 HE2 LYS 80 HE2 LYS 80 2.690 28.577 15.337 612 HE3 LYS 80 HE3 LYS 80 3.129 30.258 15.629 613 HZ1 LYS 80 HZ1 LYS 80 2.049 30.027 13.510 614 HZ2 LYS 80 HZ2 LYS 80 3.172 28.863 13.008 615 HZ3 LYS 80 HZ3 LYS 80 3.670 30.461 13.264 616 H GLY 81 H GLY 81 6.760 25.444 13.401 617 HA2 GLY 81 HA2 GLY 81 5.377 24.486 10.975 618 HA3 GLY 81 HA3 GLY 81 6.781 25.559 10.971 619 H SER 82 H SER 82 6.047 22.530 12.622 620 HA SER 82 HA SER 82 8.660 21.525 12.438 621 HB2 SER 82 HB2 SER 82 6.809 20.925 14.103 622 HB3 SER 82 HB3 SER 82 6.183 19.858 12.848 623 HG SER 82 HG SER 82 8.755 19.763 14.047 624 H MET 83 H MET 83 6.109 21.548 10.193 625 HA MET 83 HA MET 83 5.615 20.479 8.256 626 HB2 MET 83 HB2 MET 83 8.612 20.539 8.213 627 HB3 MET 83 HB3 MET 83 7.706 19.807 6.896 628 HG2 MET 83 HG2 MET 83 6.864 22.507 7.724 629 HG3 MET 83 HG3 MET 83 8.435 22.379 6.947 630 HE1 MET 83 HE1 MET 83 4.560 21.823 6.568 631 HE2 MET 83 HE2 MET 83 5.181 20.192 6.309 632 HE3 MET 83 HE3 MET 83 4.452 21.083 4.969 633 H VAL 84 H VAL 84 4.546 18.786 9.250 634 HA VAL 84 HA VAL 84 5.947 16.308 9.796 635 HB VAL 84 HB VAL 84 2.995 16.962 9.851 636 HG11 VAL 84 HG11 VAL 84 4.479 14.569 10.925 637 HG12 VAL 84 HG12 VAL 84 3.381 14.581 9.546 638 HG13 VAL 84 HG13 VAL 84 2.765 14.907 11.165 639 HG21 VAL 84 HG21 VAL 84 4.986 16.773 12.102 640 HG22 VAL 84 HG22 VAL 84 3.255 17.066 12.269 641 HG23 VAL 84 HG23 VAL 84 4.278 18.259 11.469 642 H TYR 85 H TYR 85 6.271 14.772 8.318 643 HA TYR 85 HA TYR 85 4.668 14.854 5.860 644 HB2 TYR 85 HB2 TYR 85 7.352 13.560 6.385 645 HB3 TYR 85 HB3 TYR 85 6.485 13.512 4.851 646 HD1 TYR 85 HD1 TYR 85 8.878 15.259 6.784 647 HD2 TYR 85 HD2 TYR 85 5.902 15.814 3.801 648 HE1 TYR 85 HE1 TYR 85 9.941 17.376 6.127 649 HE2 TYR 85 HE2 TYR 85 6.956 17.930 3.130 650 HH TYR 85 HH TYR 85 10.018 18.781 3.926 651 H PHE 86 H PHE 86 2.984 13.569 6.013 652 HA PHE 86 HA PHE 86 3.165 11.074 7.500 653 HB2 PHE 86 HB2 PHE 86 1.165 12.772 7.470 654 HB3 PHE 86 HB3 PHE 86 0.741 11.968 5.963 655 HD1 PHE 86 HD1 PHE 86 2.297 10.102 8.700 656 HD2 PHE 86 HD2 PHE 86 -1.373 11.208 6.851 657 HE1 PHE 86 HE1 PHE 86 1.131 8.360 9.985 658 HE2 PHE 86 HE2 PHE 86 -2.548 9.467 8.132 659 HZ PHE 86 HZ PHE 86 -1.298 8.042 9.702 660 H LYS 87 H LYS 87 4.213 9.548 6.421 661 HA LYS 87 HA LYS 87 4.058 9.365 3.528 662 HB2 LYS 87 HB2 LYS 87 6.185 9.087 4.926 663 HB3 LYS 87 HB3 LYS 87 5.536 7.531 5.421 664 HG2 LYS 87 HG2 LYS 87 7.105 7.223 3.627 665 HG3 LYS 87 HG3 LYS 87 5.477 6.830 3.064 666 HD2 LYS 87 HD2 LYS 87 6.646 8.128 1.383 667 HD3 LYS 87 HD3 LYS 87 5.308 9.064 2.054 668 HE2 LYS 87 HE2 LYS 87 7.267 10.470 1.812 669 HE3 LYS 87 HE3 LYS 87 6.886 10.248 3.517 670 HZ1 LYS 87 HZ1 LYS 87 8.946 8.669 2.073 671 HZ2 LYS 87 HZ2 LYS 87 8.663 8.707 3.751 672 HZ3 LYS 87 HZ3 LYS 87 9.280 10.073 2.962 673 H VAL 88 H VAL 88 1.964 8.633 3.100 674 HA VAL 88 HA VAL 88 1.276 6.015 4.272 675 HB VAL 88 HB VAL 88 -1.127 6.661 3.856 676 HG11 VAL 88 HG11 VAL 88 -0.132 6.674 6.067 677 HG12 VAL 88 HG12 VAL 88 -1.261 8.018 5.889 678 HG13 VAL 88 HG13 VAL 88 0.476 8.305 5.797 679 HG21 VAL 88 HG21 VAL 88 -0.764 8.495 2.292 680 HG22 VAL 88 HG22 VAL 88 0.096 9.404 3.536 681 HG23 VAL 88 HG23 VAL 88 -1.625 9.065 3.722 682 H GLY 89 H GLY 89 0.911 4.371 2.940 683 HA2 GLY 89 HA2 GLY 89 0.682 3.177 0.993 684 HA3 GLY 89 HA3 GLY 89 -0.162 4.574 0.336 685 H ASN 90 H ASN 90 0.997 6.155 -0.775 686 HA ASN 90 HA ASN 90 3.848 5.779 -1.162 687 HB2 ASN 90 HB2 ASN 90 3.745 5.668 -3.567 688 HB3 ASN 90 HB3 ASN 90 2.745 4.378 -2.914 689 HD21 ASN 90 HD21 ASN 90 0.499 4.490 -3.157 690 HD22 ASN 90 HD22 ASN 90 -0.244 5.584 -4.269 691 H GLU 91 H GLU 91 1.595 7.760 -0.229 692 HA GLU 91 HA GLU 91 2.563 10.037 -1.829 693 HB2 GLU 91 HB2 GLU 91 0.448 11.199 -1.174 694 HB3 GLU 91 HB3 GLU 91 0.225 9.809 -2.223 695 HG2 GLU 91 HG2 GLU 91 -0.489 8.465 -0.349 696 HG3 GLU 91 HG3 GLU 91 -0.174 9.801 0.758 697 H THR 92 H THR 92 3.141 11.923 -0.821 698 HA THR 92 HA THR 92 3.686 11.661 2.056 699 HB THR 92 HB THR 92 5.099 13.422 0.035 700 HG1 THR 92 HG1 THR 92 5.595 11.252 -0.374 701 HG21 THR 92 HG21 THR 92 5.196 14.290 2.319 702 HG22 THR 92 HG22 THR 92 6.775 13.692 1.814 703 HG23 THR 92 HG23 THR 92 5.774 12.729 2.900 704 H ARG 93 H ARG 93 2.153 12.702 3.169 705 HA ARG 93 HA ARG 93 1.018 15.184 2.083 706 HB2 ARG 93 HB2 ARG 93 0.072 13.611 4.482 707 HB3 ARG 93 HB3 ARG 93 -0.818 14.832 3.581 708 HG2 ARG 93 HG2 ARG 93 -0.902 13.367 1.642 709 HG3 ARG 93 HG3 ARG 93 0.025 12.146 2.513 710 HD2 ARG 93 HD2 ARG 93 -2.269 11.522 2.610 711 HD3 ARG 93 HD3 ARG 93 -1.800 12.086 4.213 712 HE ARG 93 HE ARG 93 -2.888 14.253 3.549 713 HH11 ARG 93 HH11 ARG 93 -3.808 11.231 2.046 714 HH12 ARG 93 HH12 ARG 93 -5.448 11.736 1.741 715 HH21 ARG 93 HH21 ARG 93 -5.002 14.941 3.129 716 HH22 ARG 93 HH22 ARG 93 -6.120 13.853 2.342 717 H LYS 94 H LYS 94 1.233 17.140 3.146 718 HA LYS 94 HA LYS 94 3.190 17.120 5.339 719 HB2 LYS 94 HB2 LYS 94 2.405 19.561 3.752 720 HB3 LYS 94 HB3 LYS 94 3.804 19.333 4.773 721 HG2 LYS 94 HG2 LYS 94 4.660 19.268 2.624 722 HG3 LYS 94 HG3 LYS 94 4.543 17.570 3.085 723 HD2 LYS 94 HD2 LYS 94 2.651 17.223 1.736 724 HD3 LYS 94 HD3 LYS 94 2.349 18.955 1.568 725 HE2 LYS 94 HE2 LYS 94 4.771 17.537 0.473 726 HE3 LYS 94 HE3 LYS 94 3.316 17.880 -0.463 727 HZ1 LYS 94 HZ1 LYS 94 4.870 19.598 -0.903 728 HZ2 LYS 94 HZ2 LYS 94 5.181 19.845 0.743 729 HZ3 LYS 94 HZ3 LYS 94 3.675 20.273 0.101 730 H TYR 95 H TYR 95 2.763 18.037 7.269 731 HA TYR 95 HA TYR 95 0.202 19.438 7.610 732 HB2 TYR 95 HB2 TYR 95 1.295 17.254 9.403 733 HB3 TYR 95 HB3 TYR 95 -0.107 18.249 9.775 734 HD1 TYR 95 HD1 TYR 95 1.198 15.694 7.430 735 HD2 TYR 95 HD2 TYR 95 -2.237 17.725 8.897 736 HE1 TYR 95 HE1 TYR 95 -0.242 14.113 6.227 737 HE2 TYR 95 HE2 TYR 95 -3.691 16.145 7.700 738 HH TYR 95 HH TYR 95 -3.532 14.648 5.719 739 H LYS 96 H LYS 96 0.219 21.110 9.091 740 HA LYS 96 HA LYS 96 2.888 21.851 10.108 741 HB2 LYS 96 HB2 LYS 96 1.018 23.296 8.594 742 HB3 LYS 96 HB3 LYS 96 0.912 23.968 10.214 743 HG2 LYS 96 HG2 LYS 96 2.497 25.197 8.817 744 HG3 LYS 96 HG3 LYS 96 3.299 24.445 10.198 745 HD2 LYS 96 HD2 LYS 96 4.638 23.266 8.865 746 HD3 LYS 96 HD3 LYS 96 3.269 22.661 7.933 747 HE2 LYS 96 HE2 LYS 96 4.730 23.831 6.444 748 HE3 LYS 96 HE3 LYS 96 3.272 24.798 6.656 749 HZ1 LYS 96 HZ1 LYS 96 5.175 26.216 6.745 750 HZ2 LYS 96 HZ2 LYS 96 5.922 25.252 7.921 751 HZ3 LYS 96 HZ3 LYS 96 4.526 26.133 8.311 752 H MET 97 H MET 97 3.180 22.285 12.256 753 HA MET 97 HA MET 97 1.130 21.258 14.029 754 HB2 MET 97 HB2 MET 97 3.932 22.274 14.515 755 HB3 MET 97 HB3 MET 97 2.862 21.780 15.817 756 HG2 MET 97 HG2 MET 97 3.793 20.020 13.560 757 HG3 MET 97 HG3 MET 97 4.457 20.036 15.194 758 HE1 MET 97 HE1 MET 97 4.097 17.549 15.767 759 HE2 MET 97 HE2 MET 97 3.663 17.334 14.071 760 HE3 MET 97 HE3 MET 97 2.642 16.651 15.337 761 H THR 98 H THR 98 -0.353 23.001 13.416 762 HA THR 98 HA THR 98 0.357 25.695 14.178 763 HB THR 98 HB THR 98 -0.851 25.430 12.133 764 HG1 THR 98 HG1 THR 98 -2.975 26.431 13.619 765 HG21 THR 98 HG21 THR 98 -1.961 23.342 12.507 766 HG22 THR 98 HG22 THR 98 -3.172 24.557 12.092 767 HG23 THR 98 HG23 THR 98 -2.970 24.050 13.770 768 H SER 99 H SER 99 -0.878 23.077 15.854 769 HA SER 99 HA SER 99 -1.605 24.889 18.021 770 HB2 SER 99 HB2 SER 99 -3.344 22.544 17.235 771 HB3 SER 99 HB3 SER 99 -3.619 23.640 18.583 772 HG SER 99 HG SER 99 -3.331 25.122 16.414 773 H ILE 100 H ILE 100 -0.066 24.423 19.440 774 HA ILE 100 HA ILE 100 0.504 21.586 20.024 775 HB ILE 100 HB ILE 100 2.437 23.910 20.095 776 HG12 ILE 100 HG12 ILE 100 2.381 21.461 18.314 777 HG13 ILE 100 HG13 ILE 100 1.898 23.081 17.819 778 HG21 ILE 100 HG21 ILE 100 4.138 22.264 20.690 779 HG22 ILE 100 HG22 ILE 100 2.911 20.998 20.734 780 HG23 ILE 100 HG23 ILE 100 2.857 22.319 21.902 781 HD11 ILE 100 HD11 ILE 100 4.650 22.228 18.683 782 HD12 ILE 100 HD12 ILE 100 4.178 23.869 18.242 783 HD13 ILE 100 HD13 ILE 100 4.124 22.582 17.036 784 H ARG 101 H ARG 101 0.009 20.997 22.040 785 HA ARG 101 HA ARG 101 0.648 22.639 24.298 786 HB2 ARG 101 HB2 ARG 101 -1.693 22.823 25.154 787 HB3 ARG 101 HB3 ARG 101 -1.399 23.786 23.712 788 HG2 ARG 101 HG2 ARG 101 -2.432 21.998 22.360 789 HG3 ARG 101 HG3 ARG 101 -2.805 21.132 23.850 790 HD2 ARG 101 HD2 ARG 101 -3.742 23.924 23.231 791 HD3 ARG 101 HD3 ARG 101 -4.687 22.472 22.928 792 HE ARG 101 HE ARG 101 -3.829 22.607 25.636 793 HH11 ARG 101 HH11 ARG 101 -6.155 23.884 23.377 794 HH12 ARG 101 HH12 ARG 101 -7.362 24.212 24.585 795 HH21 ARG 101 HH21 ARG 101 -5.414 23.029 27.258 796 HH22 ARG 101 HH22 ARG 101 -6.937 23.745 26.786 797 H ASP 102 H ASP 102 -0.891 21.502 26.234 798 HA ASP 102 HA ASP 102 -1.035 18.634 25.755 799 HB2 ASP 102 HB2 ASP 102 0.073 18.124 27.918 800 HB3 ASP 102 HB3 ASP 102 1.161 18.848 26.743 801 H VAL 103 H VAL 103 -2.519 17.569 27.060 802 HA VAL 103 HA VAL 103 -4.261 19.337 28.635 803 HB VAL 103 HB VAL 103 -6.237 18.122 27.622 804 HG11 VAL 103 HG11 VAL 103 -6.296 19.531 25.616 805 HG12 VAL 103 HG12 VAL 103 -4.570 19.847 25.793 806 HG13 VAL 103 HG13 VAL 103 -5.700 20.418 27.021 807 HG21 VAL 103 HG21 VAL 103 -5.928 17.109 25.417 808 HG22 VAL 103 HG22 VAL 103 -5.017 16.240 26.652 809 HG23 VAL 103 HG23 VAL 103 -4.183 17.339 25.553 810 H LYS 104 H LYS 104 -5.617 18.276 30.136 811 HA LYS 104 HA LYS 104 -4.458 15.780 31.136 812 HB2 LYS 104 HB2 LYS 104 -6.307 17.786 32.461 813 HB3 LYS 104 HB3 LYS 104 -5.701 16.329 33.231 814 HG2 LYS 104 HG2 LYS 104 -4.342 18.030 34.047 815 HG3 LYS 104 HG3 LYS 104 -3.367 17.269 32.791 816 HD2 LYS 104 HD2 LYS 104 -3.192 19.684 32.638 817 HD3 LYS 104 HD3 LYS 104 -4.036 19.049 31.226 818 HE2 LYS 104 HE2 LYS 104 -5.180 21.022 31.973 819 HE3 LYS 104 HE3 LYS 104 -6.192 19.621 32.325 820 HZ1 LYS 104 HZ1 LYS 104 -6.154 21.164 34.177 821 HZ2 LYS 104 HZ2 LYS 104 -4.463 21.059 34.272 822 HZ3 LYS 104 HZ3 LYS 104 -5.416 19.700 34.629 823 HA PRO 105 HA PRO 105 -8.146 13.392 30.248 824 HB2 PRO 105 HB2 PRO 105 -8.190 12.376 33.016 825 HB3 PRO 105 HB3 PRO 105 -7.978 11.492 31.504 826 HG2 PRO 105 HG2 PRO 105 -5.945 11.850 33.208 827 HG3 PRO 105 HG3 PRO 105 -5.697 11.866 31.451 828 HD2 PRO 105 HD2 PRO 105 -5.893 14.170 33.360 829 HD3 PRO 105 HD3 PRO 105 -4.772 13.927 32.003 830 H THR 106 H THR 106 -7.978 15.526 32.937 831 HA THR 106 HA THR 106 -10.903 15.592 33.191 832 HB THR 106 HB THR 106 -9.670 15.295 35.294 833 HG1 THR 106 HG1 THR 106 -11.232 17.554 34.783 834 HG21 THR 106 HG21 THR 106 -8.443 17.983 34.670 835 HG22 THR 106 HG22 THR 106 -7.596 16.436 34.683 836 HG23 THR 106 HG23 THR 106 -8.258 17.093 36.180 837 H ASP 107 H ASP 107 -8.908 16.884 31.165 838 HA ASP 107 HA ASP 107 -9.317 19.704 31.478 839 HB2 ASP 107 HB2 ASP 107 -7.418 18.488 30.199 840 HB3 ASP 107 HB3 ASP 107 -8.595 18.303 28.904 841 H VAL 108 H VAL 108 -10.614 20.966 29.918 842 HA VAL 108 HA VAL 108 -13.168 19.575 29.599 843 HB VAL 108 HB VAL 108 -14.179 21.820 29.456 844 HG11 VAL 108 HG11 VAL 108 -13.841 22.455 31.790 845 HG12 VAL 108 HG12 VAL 108 -12.397 21.446 31.861 846 HG13 VAL 108 HG13 VAL 108 -13.979 20.704 31.622 847 HG21 VAL 108 HG21 VAL 108 -12.830 23.805 29.982 848 HG22 VAL 108 HG22 VAL 108 -12.313 23.040 28.480 849 HG23 VAL 108 HG23 VAL 108 -11.373 22.812 29.952 850 H GLU 109 H GLU 109 -10.563 20.720 27.787 851 HA GLU 109 HA GLU 109 -12.166 21.324 25.450 852 HB2 GLU 109 HB2 GLU 109 -9.183 21.446 25.876 853 HB3 GLU 109 HB3 GLU 109 -10.028 22.005 24.435 854 HG2 GLU 109 HG2 GLU 109 -11.217 23.656 25.733 855 HG3 GLU 109 HG3 GLU 109 -10.471 23.059 27.213 856 H VAL 110 H VAL 110 -10.920 18.614 26.820 857 HA VAL 110 HA VAL 110 -10.101 17.291 24.377 858 HB VAL 110 HB VAL 110 -9.747 15.302 25.713 859 HG11 VAL 110 HG11 VAL 110 -8.072 16.158 27.281 860 HG12 VAL 110 HG12 VAL 110 -8.755 17.776 27.120 861 HG13 VAL 110 HG13 VAL 110 -8.001 16.993 25.729 862 HG21 VAL 110 HG21 VAL 110 -10.205 15.240 28.110 863 HG22 VAL 110 HG22 VAL 110 -11.692 15.469 27.188 864 HG23 VAL 110 HG23 VAL 110 -10.947 16.837 28.018 865 H LEU 111 H LEU 111 -13.000 17.830 26.066 866 HA LEU 111 HA LEU 111 -14.333 15.712 24.528 867 HB2 LEU 111 HB2 LEU 111 -16.203 15.904 26.144 868 HB3 LEU 111 HB3 LEU 111 -14.710 15.329 26.855 869 HG LEU 111 HG LEU 111 -15.376 18.240 27.047 870 HD11 LEU 111 HD11 LEU 111 -16.461 16.089 28.862 871 HD12 LEU 111 HD12 LEU 111 -17.415 17.049 27.733 872 HD13 LEU 111 HD13 LEU 111 -16.615 17.831 29.097 873 HD21 LEU 111 HD21 LEU 111 -14.113 18.057 29.100 874 HD22 LEU 111 HD22 LEU 111 -13.187 17.356 27.772 875 HD23 LEU 111 HD23 LEU 111 -14.018 16.305 28.917 876 H ASP 112 H ASP 112 -13.525 18.542 23.861 877 HA ASP 112 HA ASP 112 -16.075 19.889 23.526 878 HB2 ASP 112 HB2 ASP 112 -13.973 21.135 24.126 879 HB3 ASP 112 HB3 ASP 112 -13.343 20.725 22.531 880 H GLU 113 H GLU 113 -16.581 20.807 21.374 881 HA GLU 113 HA GLU 113 -16.654 18.859 19.316 882 HB2 GLU 113 HB2 GLU 113 -17.563 20.730 17.951 883 HB3 GLU 113 HB3 GLU 113 -18.379 20.560 19.503 884 HG2 GLU 113 HG2 GLU 113 -17.107 22.396 20.417 885 HG3 GLU 113 HG3 GLU 113 -16.182 22.532 18.924 886 H GLN 114 H GLN 114 -15.359 18.613 17.525 887 HA GLN 114 HA GLN 114 -12.827 20.001 17.572 888 HB2 GLN 114 HB2 GLN 114 -13.886 17.813 15.778 889 HB3 GLN 114 HB3 GLN 114 -12.245 18.458 15.711 890 HG2 GLN 114 HG2 GLN 114 -13.513 17.150 18.112 891 HG3 GLN 114 HG3 GLN 114 -12.365 16.386 17.015 892 HE21 GLN 114 HE21 GLN 114 -12.325 17.186 19.966 893 HE22 GLN 114 HE22 GLN 114 -10.828 18.029 20.138 894 H LYS 115 H LYS 115 -12.006 21.246 15.856 895 HA LYS 115 HA LYS 115 -14.122 23.023 15.016 896 HB2 LYS 115 HB2 LYS 115 -11.139 23.416 14.900 897 HB3 LYS 115 HB3 LYS 115 -12.361 24.658 14.661 898 HG2 LYS 115 HG2 LYS 115 -11.823 23.146 17.203 899 HG3 LYS 115 HG3 LYS 115 -11.423 24.833 16.880 900 HD2 LYS 115 HD2 LYS 115 -13.803 25.351 16.654 901 HD3 LYS 115 HD3 LYS 115 -14.204 23.660 16.957 902 HE2 LYS 115 HE2 LYS 115 -12.787 25.492 18.891 903 HE3 LYS 115 HE3 LYS 115 -14.499 25.079 18.953 904 HZ1 LYS 115 HZ1 LYS 115 -12.168 23.331 19.457 905 HZ2 LYS 115 HZ2 LYS 115 -13.692 22.686 19.097 906 HZ3 LYS 115 HZ3 LYS 115 -13.490 23.650 20.472 907 H GLY 116 H GLY 116 -13.758 24.273 12.980 908 HA2 GLY 116 HA2 GLY 116 -13.988 22.401 10.820 909 HA3 GLY 116 HA3 GLY 116 -14.161 24.147 10.714 910 H LYS 117 H LYS 117 -11.516 22.040 11.711 911 HA LYS 117 HA LYS 117 -9.625 23.541 10.103 912 HB2 LYS 117 HB2 LYS 117 -9.317 21.080 11.832 913 HB3 LYS 117 HB3 LYS 117 -7.986 21.857 10.987 914 HG2 LYS 117 HG2 LYS 117 -9.712 23.199 13.057 915 HG3 LYS 117 HG3 LYS 117 -8.135 22.470 13.375 916 HD2 LYS 117 HD2 LYS 117 -7.087 24.012 11.813 917 HD3 LYS 117 HD3 LYS 117 -8.659 24.710 11.423 918 HE2 LYS 117 HE2 LYS 117 -7.489 26.139 12.985 919 HE3 LYS 117 HE3 LYS 117 -8.904 25.431 13.758 920 HZ1 LYS 117 HZ1 LYS 117 -6.142 24.390 14.064 921 HZ2 LYS 117 HZ2 LYS 117 -7.520 23.878 14.911 922 HZ3 LYS 117 HZ3 LYS 117 -6.895 25.436 15.161 923 H ASP 118 H ASP 118 -8.004 22.124 8.801 924 HA ASP 118 HA ASP 118 -9.459 20.410 6.963 925 HB2 ASP 118 HB2 ASP 118 -7.463 22.106 6.473 926 HB3 ASP 118 HB3 ASP 118 -6.477 20.707 6.885 927 H LYS 119 H LYS 119 -7.231 18.546 6.503 928 HA LYS 119 HA LYS 119 -7.869 16.581 8.418 929 HB2 LYS 119 HB2 LYS 119 -5.203 16.442 7.103 930 HB3 LYS 119 HB3 LYS 119 -6.384 15.172 7.370 931 HG2 LYS 119 HG2 LYS 119 -6.554 17.343 5.317 932 HG3 LYS 119 HG3 LYS 119 -6.110 15.669 5.022 933 HD2 LYS 119 HD2 LYS 119 -8.363 14.995 5.801 934 HD3 LYS 119 HD3 LYS 119 -8.780 16.706 5.950 935 HE2 LYS 119 HE2 LYS 119 -8.143 15.136 3.470 936 HE3 LYS 119 HE3 LYS 119 -9.592 16.073 3.836 937 HZ1 LYS 119 HZ1 LYS 119 -8.125 18.089 3.815 938 HZ2 LYS 119 HZ2 LYS 119 -8.305 17.329 2.312 939 HZ3 LYS 119 HZ3 LYS 119 -6.879 17.116 3.201 940 H GLN 120 H GLN 120 -7.383 16.578 10.462 941 HA GLN 120 HA GLN 120 -4.971 17.992 11.363 942 HB2 GLN 120 HB2 GLN 120 -6.094 18.074 13.588 943 HB3 GLN 120 HB3 GLN 120 -6.962 18.929 12.324 944 HG2 GLN 120 HG2 GLN 120 -8.523 17.081 12.112 945 HG3 GLN 120 HG3 GLN 120 -7.636 16.174 13.334 946 HE21 GLN 120 HE21 GLN 120 -7.809 16.763 15.492 947 HE22 GLN 120 HE22 GLN 120 -9.044 17.837 16.058 948 H LEU 121 H LEU 121 -3.313 16.684 11.648 949 HA LEU 121 HA LEU 121 -3.651 13.966 12.555 950 HB2 LEU 121 HB2 LEU 121 -1.207 15.684 12.131 951 HB3 LEU 121 HB3 LEU 121 -1.119 14.071 12.802 952 HG LEU 121 HG LEU 121 -2.005 14.843 10.025 953 HD11 LEU 121 HD11 LEU 121 -0.095 13.465 9.351 954 HD12 LEU 121 HD12 LEU 121 0.296 13.180 11.047 955 HD13 LEU 121 HD13 LEU 121 0.405 14.808 10.381 956 HD21 LEU 121 HD21 LEU 121 -2.010 12.116 11.322 957 HD22 LEU 121 HD22 LEU 121 -2.344 12.456 9.623 958 HD23 LEU 121 HD23 LEU 121 -3.436 13.050 10.874 959 H THR 122 H THR 122 -4.371 13.730 14.538 960 HA THR 122 HA THR 122 -3.568 15.618 16.603 961 HB THR 122 HB THR 122 -5.472 13.281 16.866 962 HG1 THR 122 HG1 THR 122 -6.224 14.686 15.237 963 HG21 THR 122 HG21 THR 122 -4.700 14.211 18.986 964 HG22 THR 122 HG22 THR 122 -6.394 14.619 18.719 965 HG23 THR 122 HG23 THR 122 -5.145 15.835 18.452 966 H LEU 123 H LEU 123 -1.463 15.104 17.024 967 HA LEU 123 HA LEU 123 -0.648 12.393 17.533 968 HB2 LEU 123 HB2 LEU 123 0.759 15.032 17.931 969 HB3 LEU 123 HB3 LEU 123 1.485 13.494 18.337 970 HG LEU 123 HG LEU 123 2.380 14.120 16.248 971 HD11 LEU 123 HD11 LEU 123 0.170 12.149 15.715 972 HD12 LEU 123 HD12 LEU 123 1.750 11.775 16.404 973 HD13 LEU 123 HD13 LEU 123 1.628 12.369 14.747 974 HD21 LEU 123 HD21 LEU 123 0.775 15.836 15.631 975 HD22 LEU 123 HD22 LEU 123 -0.432 14.599 15.276 976 HD23 LEU 123 HD23 LEU 123 1.034 14.709 14.300 977 H ILE 124 H ILE 124 -1.657 11.512 19.228 978 HA ILE 124 HA ILE 124 -1.940 13.031 21.702 979 HB ILE 124 HB ILE 124 -2.901 10.231 21.089 980 HG12 ILE 124 HG12 ILE 124 -4.456 12.828 20.980 981 HG13 ILE 124 HG13 ILE 124 -3.860 11.965 19.566 982 HG21 ILE 124 HG21 ILE 124 -3.622 12.188 23.272 983 HG22 ILE 124 HG22 ILE 124 -2.715 10.687 23.463 984 HG23 ILE 124 HG23 ILE 124 -4.415 10.634 22.996 985 HD11 ILE 124 HD11 ILE 124 -6.211 11.519 19.935 986 HD12 ILE 124 HD12 ILE 124 -5.860 10.926 21.558 987 HD13 ILE 124 HD13 ILE 124 -5.258 10.051 20.150 988 H THR 125 H THR 125 -0.104 13.072 22.850 989 HA THR 125 HA THR 125 1.343 10.527 23.192 990 HB THR 125 HB THR 125 2.541 13.303 23.340 991 HG1 THR 125 HG1 THR 125 1.782 12.239 21.194 992 HG21 THR 125 HG21 THR 125 4.683 12.116 23.295 993 HG22 THR 125 HG22 THR 125 3.835 10.571 23.257 994 HG23 THR 125 HG23 THR 125 3.714 11.607 24.678 995 H CYS 126 H CYS 126 0.186 9.953 25.035 996 HA CYS 126 HA CYS 126 -0.064 11.741 27.251 997 HB2 CYS 126 HB2 CYS 126 -0.414 8.736 27.149 998 HB3 CYS 126 HB3 CYS 126 -0.934 9.790 28.461 999 H ASP 127 H ASP 127 1.707 12.423 28.222 1000 HA ASP 127 HA ASP 127 3.902 10.531 28.677 1001 HB2 ASP 127 HB2 ASP 127 5.401 12.490 28.730 1002 HB3 ASP 127 HB3 ASP 127 4.536 12.376 27.204 1003 H ASP 128 H ASP 128 2.726 9.807 30.583 1004 HA ASP 128 HA ASP 128 3.680 11.158 32.914 1005 HB2 ASP 128 HB2 ASP 128 1.746 12.536 32.706 1006 HB3 ASP 128 HB3 ASP 128 0.709 11.154 32.368 1007 H TYR 129 H TYR 129 0.806 9.132 32.547 1008 HA TYR 129 HA TYR 129 0.187 7.187 33.506 1009 HB2 TYR 129 HB2 TYR 129 1.922 6.191 32.090 1010 HB3 TYR 129 HB3 TYR 129 3.132 6.510 33.324 1011 HD1 TYR 129 HD1 TYR 129 3.623 4.040 33.052 1012 HD2 TYR 129 HD2 TYR 129 -0.056 5.472 34.637 1013 HE1 TYR 129 HE1 TYR 129 3.197 1.834 34.051 1014 HE2 TYR 129 HE2 TYR 129 -0.489 3.275 35.639 1015 HH TYR 129 HH TYR 129 1.895 0.860 35.882 1016 H ASN 130 H ASN 130 -0.456 8.267 35.393 1017 HA ASN 130 HA ASN 130 1.376 8.160 37.662 1018 HB2 ASN 130 HB2 ASN 130 -0.057 10.157 37.368 1019 HB3 ASN 130 HB3 ASN 130 -1.484 9.146 37.520 1020 HD21 ASN 130 HD21 ASN 130 -2.055 10.550 39.264 1021 HD22 ASN 130 HD22 ASN 130 -1.384 10.274 40.847 1022 H GLU 131 H GLU 131 1.631 6.098 38.210 1023 HA GLU 131 HA GLU 131 -0.260 4.055 38.073 1024 HB2 GLU 131 HB2 GLU 131 2.099 4.207 39.944 1025 HB3 GLU 131 HB3 GLU 131 1.299 2.751 39.367 1026 HG2 GLU 131 HG2 GLU 131 2.014 3.274 37.086 1027 HG3 GLU 131 HG3 GLU 131 2.848 4.708 37.688 1028 H LYS 132 H LYS 132 0.009 6.577 40.375 1029 HA LYS 132 HA LYS 132 -1.044 5.292 42.648 1030 HB2 LYS 132 HB2 LYS 132 -0.780 8.115 41.725 1031 HB3 LYS 132 HB3 LYS 132 -1.822 7.774 43.086 1032 HG2 LYS 132 HG2 LYS 132 0.311 8.409 43.925 1033 HG3 LYS 132 HG3 LYS 132 0.113 6.680 44.214 1034 HD2 LYS 132 HD2 LYS 132 1.469 6.193 42.241 1035 HD3 LYS 132 HD3 LYS 132 1.651 7.922 41.933 1036 HE2 LYS 132 HE2 LYS 132 2.757 8.165 44.124 1037 HE3 LYS 132 HE3 LYS 132 2.627 6.422 44.362 1038 HZ1 LYS 132 HZ1 LYS 132 4.023 6.086 42.424 1039 HZ2 LYS 132 HZ2 LYS 132 4.814 7.067 43.557 1040 HZ3 LYS 132 HZ3 LYS 132 4.127 7.757 42.170 1041 H THR 133 H THR 133 -2.502 6.777 39.838 1042 HA THR 133 HA THR 133 -5.158 6.076 40.886 1043 HB THR 133 HB THR 133 -4.912 8.491 40.595 1044 HG1 THR 133 HG1 THR 133 -6.907 7.234 39.911 1045 HG21 THR 133 HG21 THR 133 -3.184 8.509 38.893 1046 HG22 THR 133 HG22 THR 133 -4.572 9.461 38.366 1047 HG23 THR 133 HG23 THR 133 -4.313 7.843 37.714 1048 H GLY 134 H GLY 134 -2.793 5.486 38.555 1049 HA2 GLY 134 HA2 GLY 134 -2.705 3.839 36.945 1050 HA3 GLY 134 HA3 GLY 134 -4.380 3.452 37.307 1051 H VAL 135 H VAL 135 -3.239 6.661 36.439 1052 HA VAL 135 HA VAL 135 -4.542 6.385 33.818 1053 HB VAL 135 HB VAL 135 -5.014 8.708 35.706 1054 HG11 VAL 135 HG11 VAL 135 -6.632 9.470 34.037 1055 HG12 VAL 135 HG12 VAL 135 -6.194 8.119 32.993 1056 HG13 VAL 135 HG13 VAL 135 -5.007 9.372 33.357 1057 HG21 VAL 135 HG21 VAL 135 -7.336 7.931 35.812 1058 HG22 VAL 135 HG22 VAL 135 -6.215 6.738 36.468 1059 HG23 VAL 135 HG23 VAL 135 -6.900 6.513 34.859 1060 H TRP 136 H TRP 136 -3.494 7.437 32.191 1061 HA TRP 136 HA TRP 136 -1.028 8.824 32.753 1062 HB2 TRP 136 HB2 TRP 136 -2.561 8.497 30.156 1063 HB3 TRP 136 HB3 TRP 136 -0.941 9.169 30.298 1064 HD1 TRP 136 HD1 TRP 136 -2.722 5.805 31.110 1065 HE1 TRP 136 HE1 TRP 136 -1.056 3.897 30.645 1066 HE3 TRP 136 HE3 TRP 136 1.345 8.601 29.819 1067 HZ2 TRP 136 HZ2 TRP 136 1.635 3.628 29.826 1068 HZ3 TRP 136 HZ3 TRP 136 3.427 7.452 29.204 1069 HH2 TRP 136 HH2 TRP 136 3.570 5.010 29.209 1070 H GLU 137 H GLU 137 -1.448 10.676 33.893 1071 HA GLU 137 HA GLU 137 -3.854 12.164 33.353 1072 HB2 GLU 137 HB2 GLU 137 -1.643 12.596 35.353 1073 HB3 GLU 137 HB3 GLU 137 -3.134 13.536 35.289 1074 HG2 GLU 137 HG2 GLU 137 -4.344 11.300 35.507 1075 HG3 GLU 137 HG3 GLU 137 -2.775 10.639 35.970 1076 H LYS 138 H LYS 138 -0.750 12.311 32.114 1077 HA LYS 138 HA LYS 138 -1.285 15.058 31.226 1078 HB2 LYS 138 HB2 LYS 138 0.743 14.903 32.662 1079 HB3 LYS 138 HB3 LYS 138 1.438 13.784 31.498 1080 HG2 LYS 138 HG2 LYS 138 1.401 15.477 29.789 1081 HG3 LYS 138 HG3 LYS 138 0.628 16.610 30.896 1082 HD2 LYS 138 HD2 LYS 138 2.591 16.507 32.357 1083 HD3 LYS 138 HD3 LYS 138 3.362 15.388 31.228 1084 HE2 LYS 138 HE2 LYS 138 2.526 18.224 30.640 1085 HE3 LYS 138 HE3 LYS 138 4.175 17.657 30.897 1086 HZ1 LYS 138 HZ1 LYS 138 3.981 16.270 28.933 1087 HZ2 LYS 138 HZ2 LYS 138 3.665 17.896 28.548 1088 HZ3 LYS 138 HZ3 LYS 138 2.389 16.794 28.691 1089 H ARG 139 H ARG 139 -1.460 15.360 29.120 1090 HA ARG 139 HA ARG 139 -0.494 13.298 27.285 1091 HB2 ARG 139 HB2 ARG 139 -2.693 12.620 27.430 1092 HB3 ARG 139 HB3 ARG 139 -3.297 14.252 27.660 1093 HG2 ARG 139 HG2 ARG 139 -2.878 14.716 25.294 1094 HG3 ARG 139 HG3 ARG 139 -2.303 13.057 25.085 1095 HD2 ARG 139 HD2 ARG 139 -4.711 13.483 24.457 1096 HD3 ARG 139 HD3 ARG 139 -4.427 12.152 25.576 1097 HE ARG 139 HE ARG 139 -5.069 14.731 26.758 1098 HH11 ARG 139 HH11 ARG 139 -6.244 11.614 25.717 1099 HH12 ARG 139 HH12 ARG 139 -7.624 11.636 26.773 1100 HH21 ARG 139 HH21 ARG 139 -6.910 14.759 28.149 1101 HH22 ARG 139 HH22 ARG 139 -7.994 13.405 28.136 1102 H LYS 140 H LYS 140 1.073 14.485 26.387 1103 HA LYS 140 HA LYS 140 0.778 17.190 25.557 1104 HB2 LYS 140 HB2 LYS 140 2.953 15.883 25.973 1105 HB3 LYS 140 HB3 LYS 140 2.696 15.174 24.386 1106 HG2 LYS 140 HG2 LYS 140 4.231 17.012 24.219 1107 HG3 LYS 140 HG3 LYS 140 2.723 17.427 23.403 1108 HD2 LYS 140 HD2 LYS 140 2.010 18.737 25.298 1109 HD3 LYS 140 HD3 LYS 140 3.435 18.248 26.217 1110 HE2 LYS 140 HE2 LYS 140 4.852 19.366 24.521 1111 HE3 LYS 140 HE3 LYS 140 3.388 19.918 23.707 1112 HZ1 LYS 140 HZ1 LYS 140 4.359 21.605 25.196 1113 HZ2 LYS 140 HZ2 LYS 140 4.100 20.573 26.517 1114 HZ3 LYS 140 HZ3 LYS 140 2.784 21.175 25.648 1115 H ILE 141 H ILE 141 -0.162 17.966 23.728 1116 HA ILE 141 HA ILE 141 -0.949 15.964 21.732 1117 HB ILE 141 HB ILE 141 -2.853 16.568 23.210 1118 HG12 ILE 141 HG12 ILE 141 -3.119 17.383 20.311 1119 HG13 ILE 141 HG13 ILE 141 -3.227 15.741 20.943 1120 HG21 ILE 141 HG21 ILE 141 -3.931 18.758 22.933 1121 HG22 ILE 141 HG22 ILE 141 -2.539 19.298 21.993 1122 HG23 ILE 141 HG23 ILE 141 -2.342 18.866 23.691 1123 HD11 ILE 141 HD11 ILE 141 -5.239 16.331 22.167 1124 HD12 ILE 141 HD12 ILE 141 -5.421 16.669 20.446 1125 HD13 ILE 141 HD13 ILE 141 -5.126 17.989 21.579 1126 H PHE 142 H PHE 142 -0.330 16.391 19.798 1127 HA PHE 142 HA PHE 142 0.229 19.176 19.025 1128 HB2 PHE 142 HB2 PHE 142 1.533 16.585 18.193 1129 HB3 PHE 142 HB3 PHE 142 1.693 18.048 17.236 1130 HD1 PHE 142 HD1 PHE 142 2.094 16.981 20.811 1131 HD2 PHE 142 HD2 PHE 142 3.584 19.268 17.540 1132 HE1 PHE 142 HE1 PHE 142 4.035 17.650 22.162 1133 HE2 PHE 142 HE2 PHE 142 5.521 19.947 18.894 1134 HZ PHE 142 HZ PHE 142 5.749 19.136 21.208 1135 H VAL 143 H VAL 143 -1.296 19.942 17.706 1136 HA VAL 143 HA VAL 143 -2.744 18.052 15.970 1137 HB VAL 143 HB VAL 143 -3.497 20.890 16.666 1138 HG11 VAL 143 HG11 VAL 143 -5.686 20.282 15.739 1139 HG12 VAL 143 HG12 VAL 143 -5.038 18.709 15.278 1140 HG13 VAL 143 HG13 VAL 143 -4.400 20.177 14.538 1141 HG21 VAL 143 HG21 VAL 143 -3.582 19.466 18.647 1142 HG22 VAL 143 HG22 VAL 143 -4.590 18.310 17.775 1143 HG23 VAL 143 HG23 VAL 143 -5.203 19.927 18.124 1144 H ALA 144 H ALA 144 -1.671 17.860 14.153 1145 HA ALA 144 HA ALA 144 -0.583 20.259 12.866 1146 HB1 ALA 144 HB1 ALA 144 -0.109 17.355 12.207 1147 HB2 ALA 144 HB2 ALA 144 0.954 18.391 13.161 1148 HB3 ALA 144 HB3 ALA 144 0.683 18.743 11.456 1149 H THR 145 H THR 145 -1.834 21.230 11.447 1150 HA THR 145 HA THR 145 -4.023 19.778 10.190 1151 HB THR 145 HB THR 145 -3.348 22.721 9.968 1152 HG1 THR 145 HG1 THR 145 -4.262 21.287 12.067 1153 HG21 THR 145 HG21 THR 145 -5.911 21.190 9.491 1154 HG22 THR 145 HG22 THR 145 -4.902 21.943 8.255 1155 HG23 THR 145 HG23 THR 145 -5.748 22.943 9.438 1156 H GLU 146 H GLU 146 -4.216 19.419 8.019 1157 HA GLU 146 HA GLU 146 -1.926 18.943 6.532 1158 HB2 GLU 146 HB2 GLU 146 -4.139 17.872 6.180 1159 HB3 GLU 146 HB3 GLU 146 -4.719 19.370 5.463 1160 HG2 GLU 146 HG2 GLU 146 -3.330 19.141 3.590 1161 HG3 GLU 146 HG3 GLU 146 -2.335 17.913 4.374 1162 H VAL 147 H VAL 147 -0.654 20.114 5.302 1163 HA VAL 147 HA VAL 147 -1.527 22.789 4.479 1164 HB VAL 147 HB VAL 147 -0.128 22.912 6.527 1165 HG11 VAL 147 HG11 VAL 147 2.265 22.391 6.365 1166 HG12 VAL 147 HG12 VAL 147 1.986 21.699 4.766 1167 HG13 VAL 147 HG13 VAL 147 1.246 20.963 6.186 1168 HG21 VAL 147 HG21 VAL 147 1.474 24.578 5.700 1169 HG22 VAL 147 HG22 VAL 147 -0.133 24.791 5.001 1170 HG23 VAL 147 HG23 VAL 147 1.151 24.047 4.049 1171 H LYS 148 H LYS 148 -0.185 23.680 2.723 1172 HA LYS 148 HA LYS 148 0.229 21.676 0.701 1173 HB2 LYS 148 HB2 LYS 148 0.683 24.654 0.501 1174 HB3 LYS 148 HB3 LYS 148 0.426 23.525 -0.823 1175 HG2 LYS 148 HG2 LYS 148 -1.851 23.130 -0.069 1176 HG3 LYS 148 HG3 LYS 148 -1.599 24.218 1.295 1177 HD2 LYS 148 HD2 LYS 148 -2.786 25.421 -0.392 1178 HD3 LYS 148 HD3 LYS 148 -1.136 26.043 -0.349 1179 HE2 LYS 148 HE2 LYS 148 -0.551 24.805 -2.315 1180 HE3 LYS 148 HE3 LYS 148 -2.095 23.952 -2.297 1181 HZ1 LYS 148 HZ1 LYS 148 -1.646 26.836 -2.839 1182 HZ2 LYS 148 HZ2 LYS 148 -3.179 26.153 -2.604 1183 HZ3 LYS 148 HZ3 LYS 148 -2.227 25.662 -3.919 1184 H1 JPT 201 H7 UNK 201 -3.304 8.977 28.504 1185 H11 JPT 201 H11 UNK 201 -3.752 6.411 28.935 1186 H12 JPT 201 H12 UNK 201 -1.497 5.165 25.078 1187 H13 JPT 201 H13 UNK 201 -2.011 7.721 25.187 1188 H62 JPT 201 H62 UNK 201 -5.708 8.979 23.429 1189 H61 JPT 201 H61 UNK 201 -7.454 8.848 23.726 1190 H3 JPT 201 H3 UNK 201 -6.910 10.888 22.728 1191 H4 JPT 201 H4 UNK 201 -6.332 8.567 29.795 1192 H2 JPT 201 H2 UNK 201 -8.381 9.061 25.892 Start of MODEL 6 1 HA MET 1 HA MET 1 -9.325 2.086 -8.103 2 HB2 MET 1 HB2 MET 1 -6.593 0.787 -7.920 3 HB3 MET 1 HB3 MET 1 -7.518 1.407 -6.560 4 HG2 MET 1 HG2 MET 1 -8.307 -0.874 -8.356 5 HG3 MET 1 HG3 MET 1 -7.690 -1.005 -6.711 6 HE1 MET 1 HE1 MET 1 -10.418 -2.319 -7.851 7 HE2 MET 1 HE2 MET 1 -11.485 -2.059 -6.472 8 HE3 MET 1 HE3 MET 1 -9.819 -2.577 -6.212 9 H GLN 2 H GLN 2 -8.662 3.957 -6.992 10 HA GLN 2 HA GLN 2 -6.701 5.594 -8.440 11 HB2 GLN 2 HB2 GLN 2 -8.728 6.354 -6.329 12 HB3 GLN 2 HB3 GLN 2 -7.561 7.470 -7.031 13 HG2 GLN 2 HG2 GLN 2 -8.575 7.011 -9.259 14 HG3 GLN 2 HG3 GLN 2 -9.817 6.062 -8.442 15 HE21 GLN 2 HE21 GLN 2 -11.348 7.117 -7.151 16 HE22 GLN 2 HE22 GLN 2 -11.592 8.834 -7.237 17 H ALA 3 H ALA 3 -5.443 7.110 -6.949 18 HA ALA 3 HA ALA 3 -4.081 5.488 -4.973 19 HB1 ALA 3 HB1 ALA 3 -2.725 6.745 -6.523 20 HB2 ALA 3 HB2 ALA 3 -2.480 7.344 -4.881 21 HB3 ALA 3 HB3 ALA 3 -3.496 8.245 -6.009 22 H LYS 4 H LYS 4 -5.664 5.372 -3.410 23 HA LYS 4 HA LYS 4 -5.746 7.724 -1.686 24 HB2 LYS 4 HB2 LYS 4 -8.147 6.055 -2.394 25 HB3 LYS 4 HB3 LYS 4 -8.110 7.227 -1.088 26 HG2 LYS 4 HG2 LYS 4 -7.504 8.947 -2.846 27 HG3 LYS 4 HG3 LYS 4 -7.935 7.722 -4.042 28 HD2 LYS 4 HD2 LYS 4 -10.170 7.549 -3.002 29 HD3 LYS 4 HD3 LYS 4 -9.727 8.852 -1.897 30 HE2 LYS 4 HE2 LYS 4 -9.294 10.283 -3.912 31 HE3 LYS 4 HE3 LYS 4 -9.987 8.993 -4.895 32 HZ1 LYS 4 HZ1 LYS 4 -12.005 9.216 -3.383 33 HZ2 LYS 4 HZ2 LYS 4 -11.743 10.457 -4.503 34 HZ3 LYS 4 HZ3 LYS 4 -11.329 10.686 -2.875 35 HA PRO 5 HA PRO 5 -4.183 4.330 0.827 36 HB2 PRO 5 HB2 PRO 5 -3.424 5.974 2.881 37 HB3 PRO 5 HB3 PRO 5 -2.435 5.681 1.447 38 HG2 PRO 5 HG2 PRO 5 -4.258 7.975 2.054 39 HG3 PRO 5 HG3 PRO 5 -2.635 7.997 1.340 40 HD2 PRO 5 HD2 PRO 5 -4.845 8.241 -0.166 41 HD3 PRO 5 HD3 PRO 5 -3.417 7.361 -0.752 42 H GLN 6 H GLN 6 -5.215 3.151 2.310 43 HA GLN 6 HA GLN 6 -7.244 4.435 4.010 44 HB2 GLN 6 HB2 GLN 6 -7.645 1.900 2.399 45 HB3 GLN 6 HB3 GLN 6 -8.767 2.519 3.604 46 HG2 GLN 6 HG2 GLN 6 -9.115 4.521 2.253 47 HG3 GLN 6 HG3 GLN 6 -7.988 3.903 1.046 48 HE21 GLN 6 HE21 GLN 6 -9.524 3.872 -0.568 49 HE22 GLN 6 HE22 GLN 6 -10.820 2.727 -0.606 50 H ILE 7 H ILE 7 -7.984 2.934 5.725 51 HA ILE 7 HA ILE 7 -5.684 1.447 6.784 52 HB ILE 7 HB ILE 7 -8.009 2.748 8.214 53 HG12 ILE 7 HG12 ILE 7 -5.111 3.463 8.507 54 HG13 ILE 7 HG13 ILE 7 -6.049 4.110 7.164 55 HG21 ILE 7 HG21 ILE 7 -7.325 0.739 9.393 56 HG22 ILE 7 HG22 ILE 7 -6.819 2.174 10.288 57 HG23 ILE 7 HG23 ILE 7 -5.642 1.259 9.343 58 HD11 ILE 7 HD11 ILE 7 -5.938 5.644 9.052 59 HD12 ILE 7 HD12 ILE 7 -6.724 4.438 10.075 60 HD13 ILE 7 HD13 ILE 7 -7.590 5.138 8.705 61 HA PRO 8 HA PRO 8 -8.464 -2.042 6.251 62 HB2 PRO 8 HB2 PRO 8 -6.581 -3.923 6.100 63 HB3 PRO 8 HB3 PRO 8 -6.817 -2.774 4.776 64 HG2 PRO 8 HG2 PRO 8 -4.712 -2.827 6.888 65 HG3 PRO 8 HG3 PRO 8 -4.578 -2.373 5.181 66 HD2 PRO 8 HD2 PRO 8 -4.843 -0.607 7.337 67 HD3 PRO 8 HD3 PRO 8 -5.101 -0.205 5.629 68 H LYS 9 H LYS 9 -8.574 -4.231 7.394 69 HA LYS 9 HA LYS 9 -8.542 -3.844 10.223 70 HB2 LYS 9 HB2 LYS 9 -9.006 -6.359 8.639 71 HB3 LYS 9 HB3 LYS 9 -9.410 -6.116 10.329 72 HG2 LYS 9 HG2 LYS 9 -11.127 -4.596 9.805 73 HG3 LYS 9 HG3 LYS 9 -10.574 -4.431 8.135 74 HD2 LYS 9 HD2 LYS 9 -11.152 -6.765 7.712 75 HD3 LYS 9 HD3 LYS 9 -11.702 -6.934 9.381 76 HE2 LYS 9 HE2 LYS 9 -13.437 -5.277 9.002 77 HE3 LYS 9 HE3 LYS 9 -12.857 -5.022 7.354 78 HZ1 LYS 9 HZ1 LYS 9 -14.777 -6.483 7.398 79 HZ2 LYS 9 HZ2 LYS 9 -13.968 -7.561 8.425 80 HZ3 LYS 9 HZ3 LYS 9 -13.407 -7.316 6.841 81 H ASP 10 H ASP 10 -6.441 -5.216 7.885 82 HA ASP 10 HA ASP 10 -4.827 -6.807 9.583 83 HB2 ASP 10 HB2 ASP 10 -4.864 -6.921 7.076 84 HB3 ASP 10 HB3 ASP 10 -3.997 -5.388 7.042 85 H LYS 11 H LYS 11 -4.099 -5.848 11.397 86 HA LYS 11 HA LYS 11 -2.876 -3.206 11.194 87 HB2 LYS 11 HB2 LYS 11 -3.035 -3.103 13.621 88 HB3 LYS 11 HB3 LYS 11 -4.597 -3.478 12.912 89 HG2 LYS 11 HG2 LYS 11 -4.323 -5.815 13.507 90 HG3 LYS 11 HG3 LYS 11 -2.729 -5.463 14.176 91 HD2 LYS 11 HD2 LYS 11 -3.900 -3.802 15.709 92 HD3 LYS 11 HD3 LYS 11 -5.419 -4.537 15.192 93 HE2 LYS 11 HE2 LYS 11 -4.636 -5.499 17.295 94 HE3 LYS 11 HE3 LYS 11 -4.655 -6.705 16.011 95 HZ1 LYS 11 HZ1 LYS 11 -2.353 -6.706 15.865 96 HZ2 LYS 11 HZ2 LYS 11 -2.614 -6.584 17.544 97 HZ3 LYS 11 HZ3 LYS 11 -2.189 -5.213 16.644 98 H SER 12 H SER 12 -1.680 -5.839 10.345 99 HA SER 12 HA SER 12 0.625 -5.953 12.151 100 HB2 SER 12 HB2 SER 12 -0.294 -7.832 9.966 101 HB3 SER 12 HB3 SER 12 1.190 -8.046 10.897 102 HG SER 12 HG SER 12 0.057 -8.515 12.667 103 H LYS 13 H LYS 13 -0.319 -4.550 9.251 104 HA LYS 13 HA LYS 13 2.442 -4.478 8.235 105 HB2 LYS 13 HB2 LYS 13 1.508 -3.867 6.077 106 HB3 LYS 13 HB3 LYS 13 0.772 -5.352 6.658 107 HG2 LYS 13 HG2 LYS 13 -1.222 -4.136 7.325 108 HG3 LYS 13 HG3 LYS 13 -0.479 -2.614 6.832 109 HD2 LYS 13 HD2 LYS 13 -1.775 -3.112 4.992 110 HD3 LYS 13 HD3 LYS 13 -0.222 -3.799 4.528 111 HE2 LYS 13 HE2 LYS 13 -2.613 -5.277 5.619 112 HE3 LYS 13 HE3 LYS 13 -1.977 -5.355 3.980 113 HZ1 LYS 13 HZ1 LYS 13 -1.195 -7.271 5.033 114 HZ2 LYS 13 HZ2 LYS 13 -0.799 -6.450 6.461 115 HZ3 LYS 13 HZ3 LYS 13 0.133 -6.217 5.059 116 H VAL 14 H VAL 14 2.801 -2.352 6.910 117 HA VAL 14 HA VAL 14 2.389 -0.151 8.773 118 HB VAL 14 HB VAL 14 4.049 -0.277 6.243 119 HG11 VAL 14 HG11 VAL 14 3.370 2.003 6.798 120 HG12 VAL 14 HG12 VAL 14 5.100 1.773 7.049 121 HG13 VAL 14 HG13 VAL 14 4.004 1.800 8.431 122 HG21 VAL 14 HG21 VAL 14 4.885 -1.803 7.945 123 HG22 VAL 14 HG22 VAL 14 4.878 -0.505 9.137 124 HG23 VAL 14 HG23 VAL 14 5.974 -0.430 7.757 125 H ALA 15 H ALA 15 0.956 1.449 8.462 126 HA ALA 15 HA ALA 15 -0.553 1.516 5.957 127 HB1 ALA 15 HB1 ALA 15 -1.834 1.531 8.034 128 HB2 ALA 15 HB2 ALA 15 -2.069 3.039 7.147 129 HB3 ALA 15 HB3 ALA 15 -1.003 2.996 8.550 130 H GLY 16 H GLY 16 1.475 3.569 7.987 131 HA2 GLY 16 HA2 GLY 16 2.249 5.112 5.658 132 HA3 GLY 16 HA3 GLY 16 1.384 6.016 6.893 133 H TYR 17 H TYR 17 3.797 6.938 6.418 134 HA TYR 17 HA TYR 17 5.416 5.933 8.672 135 HB2 TYR 17 HB2 TYR 17 6.423 7.246 6.138 136 HB3 TYR 17 HB3 TYR 17 7.418 6.727 7.489 137 HD1 TYR 17 HD1 TYR 17 5.259 5.521 4.735 138 HD2 TYR 17 HD2 TYR 17 8.145 4.485 7.681 139 HE1 TYR 17 HE1 TYR 17 5.538 3.322 3.679 140 HE2 TYR 17 HE2 TYR 17 8.429 2.278 6.634 141 HH TYR 17 HH TYR 17 7.207 1.550 3.539 142 H ILE 18 H ILE 18 6.044 7.424 10.160 143 HA ILE 18 HA ILE 18 5.060 10.150 9.731 144 HB ILE 18 HB ILE 18 4.225 9.078 11.757 145 HG12 ILE 18 HG12 ILE 18 4.901 10.816 13.398 146 HG13 ILE 18 HG13 ILE 18 6.186 11.311 12.297 147 HG21 ILE 18 HG21 ILE 18 6.035 7.548 12.222 148 HG22 ILE 18 HG22 ILE 18 5.706 8.554 13.634 149 HG23 ILE 18 HG23 ILE 18 7.101 8.898 12.607 150 HD11 ILE 18 HD11 ILE 18 3.238 11.387 11.712 151 HD12 ILE 18 HD12 ILE 18 4.527 11.891 10.618 152 HD13 ILE 18 HD13 ILE 18 4.256 12.768 12.124 153 H GLU 19 H GLU 19 6.481 11.466 8.936 154 HA GLU 19 HA GLU 19 9.285 11.224 9.777 155 HB2 GLU 19 HB2 GLU 19 8.259 12.173 7.093 156 HB3 GLU 19 HB3 GLU 19 9.947 12.060 7.573 157 HG2 GLU 19 HG2 GLU 19 9.670 9.614 7.829 158 HG3 GLU 19 HG3 GLU 19 8.021 9.772 7.224 159 H ILE 20 H ILE 20 9.695 12.759 11.137 160 HA ILE 20 HA ILE 20 8.998 15.526 10.430 161 HB ILE 20 HB ILE 20 9.012 14.463 13.264 162 HG12 ILE 20 HG12 ILE 20 6.580 15.209 11.630 163 HG13 ILE 20 HG13 ILE 20 7.129 13.551 11.845 164 HG21 ILE 20 HG21 ILE 20 9.556 16.819 13.085 165 HG22 ILE 20 HG22 ILE 20 7.947 16.628 13.781 166 HG23 ILE 20 HG23 ILE 20 8.124 17.101 12.092 167 HD11 ILE 20 HD11 ILE 20 5.321 14.087 13.367 168 HD12 ILE 20 HD12 ILE 20 6.262 15.419 14.038 169 HD13 ILE 20 HD13 ILE 20 6.811 13.756 14.251 170 HA PRO 21 HA PRO 21 13.548 14.913 10.625 171 HB2 PRO 21 HB2 PRO 21 13.983 17.420 9.468 172 HB3 PRO 21 HB3 PRO 21 13.893 15.883 8.606 173 HG2 PRO 21 HG2 PRO 21 11.802 17.977 8.974 174 HG3 PRO 21 HG3 PRO 21 12.121 16.938 7.575 175 HD2 PRO 21 HD2 PRO 21 10.071 16.468 9.234 176 HD3 PRO 21 HD3 PRO 21 10.989 15.141 8.489 177 H ASP 22 H ASP 22 11.665 17.719 11.589 178 HA ASP 22 HA ASP 22 13.688 18.983 13.116 179 HB2 ASP 22 HB2 ASP 22 10.680 19.225 13.248 180 HB3 ASP 22 HB3 ASP 22 11.801 20.272 14.115 181 H ALA 23 H ALA 23 11.582 16.318 13.763 182 HA ALA 23 HA ALA 23 12.223 16.482 16.632 183 HB1 ALA 23 HB1 ALA 23 9.832 16.437 16.151 184 HB2 ALA 23 HB2 ALA 23 10.334 14.972 16.994 185 HB3 ALA 23 HB3 ALA 23 10.029 14.929 15.256 186 H ASP 24 H ASP 24 13.516 15.301 14.020 187 HA ASP 24 HA ASP 24 14.994 13.671 13.502 188 HB2 ASP 24 HB2 ASP 24 15.720 14.212 15.897 189 HB3 ASP 24 HB3 ASP 24 14.853 12.759 16.370 190 H ILE 25 H ILE 25 12.017 13.243 13.677 191 HA ILE 25 HA ILE 25 11.816 10.356 14.121 192 HB ILE 25 HB ILE 25 9.703 12.481 13.706 193 HG12 ILE 25 HG12 ILE 25 10.395 10.864 16.173 194 HG13 ILE 25 HG13 ILE 25 10.874 12.537 15.897 195 HG21 ILE 25 HG21 ILE 25 8.953 10.368 12.779 196 HG22 ILE 25 HG22 ILE 25 8.068 10.734 14.264 197 HG23 ILE 25 HG23 ILE 25 9.367 9.538 14.280 198 HD11 ILE 25 HD11 ILE 25 8.940 12.391 17.358 199 HD12 ILE 25 HD12 ILE 25 8.047 11.533 16.103 200 HD13 ILE 25 HD13 ILE 25 8.538 13.208 15.849 201 H LYS 26 H LYS 26 11.662 8.944 12.440 202 HA LYS 26 HA LYS 26 10.361 9.724 9.971 203 HB2 LYS 26 HB2 LYS 26 13.308 9.324 10.164 204 HB3 LYS 26 HB3 LYS 26 12.488 8.654 8.760 205 HG2 LYS 26 HG2 LYS 26 11.884 10.725 7.953 206 HG3 LYS 26 HG3 LYS 26 11.988 11.489 9.539 207 HD2 LYS 26 HD2 LYS 26 13.808 12.202 8.077 208 HD3 LYS 26 HD3 LYS 26 14.411 11.317 9.479 209 HE2 LYS 26 HE2 LYS 26 14.631 9.301 8.117 210 HE3 LYS 26 HE3 LYS 26 14.011 10.174 6.715 211 HZ1 LYS 26 HZ1 LYS 26 16.484 9.959 6.836 212 HZ2 LYS 26 HZ2 LYS 26 16.456 10.987 8.180 213 HZ3 LYS 26 HZ3 LYS 26 15.919 11.550 6.675 214 H GLU 27 H GLU 27 9.414 8.026 11.744 215 HA GLU 27 HA GLU 27 10.361 5.303 11.117 216 HB2 GLU 27 HB2 GLU 27 8.552 5.854 13.422 217 HB3 GLU 27 HB3 GLU 27 9.872 4.701 13.287 218 HG2 GLU 27 HG2 GLU 27 10.226 7.679 13.582 219 HG3 GLU 27 HG3 GLU 27 10.280 6.529 14.915 220 HA PRO 28 HA PRO 28 6.336 4.432 9.355 221 HB2 PRO 28 HB2 PRO 28 6.029 1.800 9.913 222 HB3 PRO 28 HB3 PRO 28 7.152 2.392 8.683 223 HG2 PRO 28 HG2 PRO 28 7.702 1.525 11.494 224 HG3 PRO 28 HG3 PRO 28 8.623 1.186 10.016 225 HD2 PRO 28 HD2 PRO 28 9.342 3.105 11.806 226 HD3 PRO 28 HD3 PRO 28 9.697 3.218 10.070 227 H VAL 29 H VAL 29 4.192 4.317 9.906 228 HA VAL 29 HA VAL 29 3.552 3.944 12.761 229 HB VAL 29 HB VAL 29 2.043 5.589 10.708 230 HG11 VAL 29 HG11 VAL 29 1.552 5.230 13.668 231 HG12 VAL 29 HG12 VAL 29 0.555 4.579 12.367 232 HG13 VAL 29 HG13 VAL 29 0.671 6.324 12.600 233 HG21 VAL 29 HG21 VAL 29 4.132 6.649 11.368 234 HG22 VAL 29 HG22 VAL 29 3.707 6.456 13.069 235 HG23 VAL 29 HG23 VAL 29 2.751 7.518 12.035 236 H TYR 30 H TYR 30 2.026 2.464 13.281 237 HA TYR 30 HA TYR 30 1.075 0.794 11.069 238 HB2 TYR 30 HB2 TYR 30 1.145 0.130 14.020 239 HB3 TYR 30 HB3 TYR 30 0.863 -0.986 12.687 240 HD1 TYR 30 HD1 TYR 30 2.782 -1.317 11.006 241 HD2 TYR 30 HD2 TYR 30 3.301 0.487 14.826 242 HE1 TYR 30 HE1 TYR 30 5.197 -1.762 10.880 243 HE2 TYR 30 HE2 TYR 30 5.714 0.050 14.716 244 HH TYR 30 HH TYR 30 7.284 -0.891 11.852 245 HA PRO 31 HA PRO 31 -3.092 2.057 12.052 246 HB2 PRO 31 HB2 PRO 31 -4.431 0.282 10.564 247 HB3 PRO 31 HB3 PRO 31 -3.464 1.554 9.807 248 HG2 PRO 31 HG2 PRO 31 -2.793 -1.331 10.238 249 HG3 PRO 31 HG3 PRO 31 -2.516 -0.319 8.810 250 HD2 PRO 31 HD2 PRO 31 -0.598 -0.881 10.703 251 HD3 PRO 31 HD3 PRO 31 -0.576 0.554 9.659 252 H GLY 32 H GLY 32 -4.976 1.200 13.189 253 HA2 GLY 32 HA2 GLY 32 -5.643 -1.304 13.827 254 HA3 GLY 32 HA3 GLY 32 -4.291 -1.030 14.910 255 HA PRO 33 HA PRO 33 -8.376 0.616 16.686 256 HB2 PRO 33 HB2 PRO 33 -9.049 -1.444 18.272 257 HB3 PRO 33 HB3 PRO 33 -9.478 -1.380 16.565 258 HG2 PRO 33 HG2 PRO 33 -7.218 -2.853 17.870 259 HG3 PRO 33 HG3 PRO 33 -8.365 -3.438 16.651 260 HD2 PRO 33 HD2 PRO 33 -5.875 -2.575 16.043 261 HD3 PRO 33 HD3 PRO 33 -7.249 -2.421 14.933 262 H ALA 34 H ALA 34 -5.513 0.743 17.388 263 HA ALA 34 HA ALA 34 -4.108 1.324 19.091 264 HB1 ALA 34 HB1 ALA 34 -5.780 3.079 19.424 265 HB2 ALA 34 HB2 ALA 34 -5.068 2.574 20.958 266 HB3 ALA 34 HB3 ALA 34 -6.680 2.018 20.507 267 H THR 35 H THR 35 -4.576 -1.341 18.911 268 HA THR 35 HA THR 35 -5.456 -2.579 21.299 269 HB THR 35 HB THR 35 -3.580 -4.132 19.690 270 HG1 THR 35 HG1 THR 35 -5.880 -3.357 18.276 271 HG21 THR 35 HG21 THR 35 -6.558 -4.370 20.150 272 HG22 THR 35 HG22 THR 35 -5.307 -5.106 21.152 273 HG23 THR 35 HG23 THR 35 -5.511 -5.618 19.477 274 HA PRO 36 HA PRO 36 -2.114 -2.209 24.163 275 HB2 PRO 36 HB2 PRO 36 -2.342 -5.178 24.405 276 HB3 PRO 36 HB3 PRO 36 -2.290 -3.945 25.671 277 HG2 PRO 36 HG2 PRO 36 -4.593 -5.068 24.995 278 HG3 PRO 36 HG3 PRO 36 -4.504 -3.332 25.351 279 HD2 PRO 36 HD2 PRO 36 -4.760 -4.719 22.725 280 HD3 PRO 36 HD3 PRO 36 -5.426 -3.160 23.249 281 H GLU 37 H GLU 37 -1.736 -5.221 22.235 282 HA GLU 37 HA GLU 37 1.118 -5.134 22.452 283 HB2 GLU 37 HB2 GLU 37 0.722 -6.875 20.405 284 HB3 GLU 37 HB3 GLU 37 0.660 -7.310 22.103 285 HG2 GLU 37 HG2 GLU 37 -1.204 -8.295 21.013 286 HG3 GLU 37 HG3 GLU 37 -1.804 -6.996 22.038 287 H GLN 38 H GLN 38 -1.221 -3.958 20.191 288 HA GLN 38 HA GLN 38 0.450 -3.366 18.013 289 HB2 GLN 38 HB2 GLN 38 -2.107 -3.230 18.208 290 HB3 GLN 38 HB3 GLN 38 -1.851 -1.648 18.930 291 HG2 GLN 38 HG2 GLN 38 -2.345 -1.376 16.614 292 HG3 GLN 38 HG3 GLN 38 -0.653 -0.956 16.886 293 HE21 GLN 38 HE21 GLN 38 -0.189 -1.319 14.698 294 HE22 GLN 38 HE22 GLN 38 -0.092 -2.915 14.038 295 H LEU 39 H LEU 39 -0.563 -1.352 20.756 296 HA LEU 39 HA LEU 39 1.239 0.784 20.138 297 HB2 LEU 39 HB2 LEU 39 -0.279 0.137 22.668 298 HB3 LEU 39 HB3 LEU 39 0.602 1.627 22.387 299 HG LEU 39 HG LEU 39 -1.783 0.698 20.780 300 HD11 LEU 39 HD11 LEU 39 -2.972 2.516 21.913 301 HD12 LEU 39 HD12 LEU 39 -1.548 2.829 22.903 302 HD13 LEU 39 HD13 LEU 39 -2.410 1.298 23.057 303 HD21 LEU 39 HD21 LEU 39 -0.246 2.070 19.481 304 HD22 LEU 39 HD22 LEU 39 -0.241 3.292 20.754 305 HD23 LEU 39 HD23 LEU 39 -1.720 2.965 19.851 306 H ASN 40 H ASN 40 1.538 -2.221 21.709 307 HA ASN 40 HA ASN 40 3.736 -1.586 23.412 308 HB2 ASN 40 HB2 ASN 40 2.312 -3.563 23.783 309 HB3 ASN 40 HB3 ASN 40 2.883 -4.256 22.269 310 HD21 ASN 40 HD21 ASN 40 3.734 -6.056 23.230 311 HD22 ASN 40 HD22 ASN 40 5.155 -6.009 24.216 312 H ARG 41 H ARG 41 3.416 -2.874 20.125 313 HA ARG 41 HA ARG 41 6.170 -3.249 19.661 314 HB2 ARG 41 HB2 ARG 41 4.452 -4.355 18.371 315 HB3 ARG 41 HB3 ARG 41 3.821 -2.810 17.826 316 HG2 ARG 41 HG2 ARG 41 5.914 -2.407 16.611 317 HG3 ARG 41 HG3 ARG 41 6.487 -4.002 17.120 318 HD2 ARG 41 HD2 ARG 41 4.551 -5.024 16.058 319 HD3 ARG 41 HD3 ARG 41 4.000 -3.438 15.537 320 HE ARG 41 HE ARG 41 6.594 -3.744 14.574 321 HH11 ARG 41 HH11 ARG 41 3.477 -5.284 14.141 322 HH12 ARG 41 HH12 ARG 41 3.784 -5.734 12.493 323 HH21 ARG 41 HH21 ARG 41 7.005 -4.325 12.398 324 HH22 ARG 41 HH22 ARG 41 5.800 -5.205 11.510 325 H GLY 42 H GLY 42 3.933 -0.572 18.949 326 HA2 GLY 42 HA2 GLY 42 6.055 1.342 19.085 327 HA3 GLY 42 HA3 GLY 42 5.544 1.051 17.427 328 H VAL 43 H VAL 43 3.886 2.212 16.672 329 HA VAL 43 HA VAL 43 2.053 3.450 18.603 330 HB VAL 43 HB VAL 43 1.998 5.503 17.189 331 HG11 VAL 43 HG11 VAL 43 3.270 5.471 19.253 332 HG12 VAL 43 HG12 VAL 43 4.113 6.433 18.040 333 HG13 VAL 43 HG13 VAL 43 4.665 4.800 18.411 334 HG21 VAL 43 HG21 VAL 43 3.829 5.936 15.630 335 HG22 VAL 43 HG22 VAL 43 2.887 4.534 15.122 336 HG23 VAL 43 HG23 VAL 43 4.453 4.309 15.900 337 H SER 44 H SER 44 -0.028 3.981 17.758 338 HA SER 44 HA SER 44 -0.767 2.867 15.176 339 HB2 SER 44 HB2 SER 44 -0.937 0.911 16.619 340 HB3 SER 44 HB3 SER 44 -1.871 1.823 17.802 341 HG SER 44 HG SER 44 -3.548 1.974 16.295 342 H PHE 45 H PHE 45 -3.086 3.339 14.688 343 HA PHE 45 HA PHE 45 -3.831 5.965 15.463 344 HB2 PHE 45 HB2 PHE 45 -5.398 3.814 14.026 345 HB3 PHE 45 HB3 PHE 45 -5.958 5.472 14.237 346 HD1 PHE 45 HD1 PHE 45 -3.989 7.236 13.563 347 HD2 PHE 45 HD2 PHE 45 -4.562 3.340 11.952 348 HE1 PHE 45 HE1 PHE 45 -2.805 7.914 11.516 349 HE2 PHE 45 HE2 PHE 45 -3.382 4.011 9.901 350 HZ PHE 45 HZ PHE 45 -2.500 6.306 9.686 351 H ALA 46 H ALA 46 -5.981 6.473 16.420 352 HA ALA 46 HA ALA 46 -6.106 5.100 18.963 353 HB1 ALA 46 HB1 ALA 46 -7.606 6.907 19.634 354 HB2 ALA 46 HB2 ALA 46 -7.633 7.506 17.976 355 HB3 ALA 46 HB3 ALA 46 -6.131 7.543 18.902 356 H GLU 47 H GLU 47 -8.140 5.562 16.129 357 HA GLU 47 HA GLU 47 -9.975 3.534 17.224 358 HB2 GLU 47 HB2 GLU 47 -10.591 6.079 15.751 359 HB3 GLU 47 HB3 GLU 47 -11.717 4.731 15.745 360 HG2 GLU 47 HG2 GLU 47 -10.672 6.015 18.251 361 HG3 GLU 47 HG3 GLU 47 -12.167 6.491 17.447 362 H GLU 48 H GLU 48 -10.969 2.147 15.735 363 HA GLU 48 HA GLU 48 -9.517 1.736 13.244 364 HB2 GLU 48 HB2 GLU 48 -10.293 -0.121 14.816 365 HB3 GLU 48 HB3 GLU 48 -11.924 0.220 14.265 366 HG2 GLU 48 HG2 GLU 48 -11.103 -0.235 11.927 367 HG3 GLU 48 HG3 GLU 48 -9.617 -0.838 12.660 368 H ASN 49 H ASN 49 -11.850 3.732 14.245 369 HA ASN 49 HA ASN 49 -13.713 3.434 12.032 370 HB2 ASN 49 HB2 ASN 49 -14.571 3.821 14.316 371 HB3 ASN 49 HB3 ASN 49 -13.719 5.360 14.373 372 HD21 ASN 49 HD21 ASN 49 -16.404 3.610 13.042 373 HD22 ASN 49 HD22 ASN 49 -17.246 4.988 12.413 374 H GLU 50 H GLU 50 -10.955 5.291 12.871 375 HA GLU 50 HA GLU 50 -11.618 7.564 11.260 376 HB2 GLU 50 HB2 GLU 50 -9.291 8.249 11.737 377 HB3 GLU 50 HB3 GLU 50 -10.208 7.899 13.185 378 HG2 GLU 50 HG2 GLU 50 -9.133 5.675 13.251 379 HG3 GLU 50 HG3 GLU 50 -8.135 6.163 11.883 380 H SER 51 H SER 51 -9.885 8.239 9.568 381 HA SER 51 HA SER 51 -8.990 5.986 7.960 382 HB2 SER 51 HB2 SER 51 -11.006 8.003 6.937 383 HB3 SER 51 HB3 SER 51 -10.194 6.785 5.951 384 HG SER 51 HG SER 51 -11.345 5.688 8.154 385 H LEU 52 H LEU 52 -7.631 6.671 6.144 386 HA LEU 52 HA LEU 52 -5.841 8.712 7.018 387 HB2 LEU 52 HB2 LEU 52 -5.871 7.015 4.525 388 HB3 LEU 52 HB3 LEU 52 -4.564 8.099 4.963 389 HG LEU 52 HG LEU 52 -5.467 5.734 6.610 390 HD11 LEU 52 HD11 LEU 52 -3.345 4.719 5.906 391 HD12 LEU 52 HD12 LEU 52 -3.072 6.077 4.813 392 HD13 LEU 52 HD13 LEU 52 -4.440 4.993 4.550 393 HD21 LEU 52 HD21 LEU 52 -3.118 7.596 6.904 394 HD22 LEU 52 HD22 LEU 52 -3.400 6.145 7.864 395 HD23 LEU 52 HD23 LEU 52 -4.519 7.503 7.969 396 H ASP 53 H ASP 53 -8.592 8.777 5.057 397 HA ASP 53 HA ASP 53 -7.753 11.343 3.879 398 HB2 ASP 53 HB2 ASP 53 -8.371 9.581 2.247 399 HB3 ASP 53 HB3 ASP 53 -9.973 9.501 2.964 400 H ASP 54 H ASP 54 -9.063 10.367 6.514 401 HA ASP 54 HA ASP 54 -11.598 11.772 6.505 402 HB2 ASP 54 HB2 ASP 54 -10.868 9.646 7.889 403 HB3 ASP 54 HB3 ASP 54 -10.241 10.849 9.012 404 H GLN 55 H GLN 55 -12.032 13.555 7.977 405 HA GLN 55 HA GLN 55 -10.049 15.579 7.794 406 HB2 GLN 55 HB2 GLN 55 -12.584 15.872 7.801 407 HB3 GLN 55 HB3 GLN 55 -12.512 15.650 9.541 408 HG2 GLN 55 HG2 GLN 55 -10.710 17.698 8.440 409 HG3 GLN 55 HG3 GLN 55 -12.432 18.039 8.307 410 HE21 GLN 55 HE21 GLN 55 -9.741 17.676 10.438 411 HE22 GLN 55 HE22 GLN 55 -10.529 18.246 11.871 412 H ASN 56 H ASN 56 -11.071 13.355 10.300 413 HA ASN 56 HA ASN 56 -8.978 14.488 12.021 414 HB2 ASN 56 HB2 ASN 56 -10.238 13.330 13.924 415 HB3 ASN 56 HB3 ASN 56 -10.945 14.786 13.248 416 HD21 ASN 56 HD21 ASN 56 -11.090 11.570 11.774 417 HD22 ASN 56 HD22 ASN 56 -12.807 11.393 11.951 418 H ILE 57 H ILE 57 -7.220 13.346 12.191 419 HA ILE 57 HA ILE 57 -7.416 10.402 12.201 420 HB ILE 57 HB ILE 57 -5.084 12.013 11.127 421 HG12 ILE 57 HG12 ILE 57 -7.187 10.446 9.613 422 HG13 ILE 57 HG13 ILE 57 -7.096 12.202 9.696 423 HG21 ILE 57 HG21 ILE 57 -4.447 9.847 12.051 424 HG22 ILE 57 HG22 ILE 57 -4.281 9.846 10.296 425 HG23 ILE 57 HG23 ILE 57 -5.660 9.049 11.053 426 HD11 ILE 57 HD11 ILE 57 -6.200 11.357 7.609 427 HD12 ILE 57 HD12 ILE 57 -5.019 10.393 8.497 428 HD13 ILE 57 HD13 ILE 57 -4.949 12.155 8.563 429 H SER 58 H SER 58 -6.354 9.399 13.890 430 HA SER 58 HA SER 58 -4.914 11.192 15.728 431 HB2 SER 58 HB2 SER 58 -6.203 9.892 17.586 432 HB3 SER 58 HB3 SER 58 -6.994 11.225 16.751 433 HG SER 58 HG SER 58 -7.282 8.654 15.665 434 H ILE 59 H ILE 59 -3.008 10.396 16.247 435 HA ILE 59 HA ILE 59 -2.636 7.471 16.214 436 HB ILE 59 HB ILE 59 -0.472 9.584 16.083 437 HG12 ILE 59 HG12 ILE 59 -1.633 7.903 13.845 438 HG13 ILE 59 HG13 ILE 59 -1.896 9.631 14.059 439 HG21 ILE 59 HG21 ILE 59 -0.386 6.602 15.613 440 HG22 ILE 59 HG22 ILE 59 0.254 7.448 17.021 441 HG23 ILE 59 HG23 ILE 59 0.972 7.714 15.431 442 HD11 ILE 59 HD11 ILE 59 -0.237 9.233 12.353 443 HD12 ILE 59 HD12 ILE 59 0.731 8.280 13.477 444 HD13 ILE 59 HD13 ILE 59 0.514 10.009 13.748 445 H ALA 60 H ALA 60 -2.199 6.470 18.091 446 HA ALA 60 HA ALA 60 -2.138 8.102 20.500 447 HB1 ALA 60 HB1 ALA 60 -2.361 5.116 20.149 448 HB2 ALA 60 HB2 ALA 60 -3.693 6.240 20.419 449 HB3 ALA 60 HB3 ALA 60 -2.488 5.979 21.681 450 H GLY 61 H GLY 61 -0.344 8.598 21.537 451 HA2 GLY 61 HA2 GLY 61 2.134 7.191 20.867 452 HA3 GLY 61 HA3 GLY 61 2.008 8.722 21.724 453 H HIS 62 H HIS 62 2.984 5.712 22.124 454 HA HIS 62 HA HIS 62 1.663 4.861 24.495 455 HB2 HIS 62 HB2 HIS 62 2.876 3.379 22.848 456 HB3 HIS 62 HB3 HIS 62 4.387 4.008 23.489 457 HD1 HIS 62 HD1 HIS 62 3.263 0.998 23.567 458 HD2 HIS 62 HD2 HIS 62 3.430 3.691 26.734 459 HE1 HIS 62 HE1 HIS 62 3.300 -0.407 25.654 460 H THR 63 H THR 63 4.987 5.976 23.945 461 HA THR 63 HA THR 63 6.504 7.063 25.225 462 HB THR 63 HB THR 63 4.306 7.783 27.169 463 HG1 THR 63 HG1 THR 63 3.787 9.476 25.838 464 HG21 THR 63 HG21 THR 63 5.695 9.756 27.562 465 HG22 THR 63 HG22 THR 63 6.854 9.197 26.353 466 HG23 THR 63 HG23 THR 63 6.623 8.283 27.847 467 H PHE 64 H PHE 64 7.977 6.040 26.429 468 HA PHE 64 HA PHE 64 7.203 4.673 28.862 469 HB2 PHE 64 HB2 PHE 64 6.896 3.072 26.858 470 HB3 PHE 64 HB3 PHE 64 8.654 3.066 26.766 471 HD1 PHE 64 HD1 PHE 64 5.981 2.656 29.336 472 HD2 PHE 64 HD2 PHE 64 9.744 1.364 27.827 473 HE1 PHE 64 HE1 PHE 64 6.051 0.886 31.044 474 HE2 PHE 64 HE2 PHE 64 9.820 -0.406 29.533 475 HZ PHE 64 HZ PHE 64 7.976 -0.646 31.142 476 H ILE 65 H ILE 65 8.869 4.549 30.304 477 HA ILE 65 HA ILE 65 10.990 6.352 29.997 478 HB ILE 65 HB ILE 65 10.637 4.132 32.015 479 HG12 ILE 65 HG12 ILE 65 8.826 5.760 32.074 480 HG13 ILE 65 HG13 ILE 65 9.850 5.949 33.495 481 HG21 ILE 65 HG21 ILE 65 12.523 6.483 32.074 482 HG22 ILE 65 HG22 ILE 65 12.967 4.780 31.933 483 HG23 ILE 65 HG23 ILE 65 12.224 5.378 33.417 484 HD11 ILE 65 HD11 ILE 65 9.187 8.096 32.573 485 HD12 ILE 65 HD12 ILE 65 9.927 7.674 31.029 486 HD13 ILE 65 HD13 ILE 65 10.931 7.870 32.466 487 H ASP 66 H ASP 66 10.857 2.858 29.573 488 HA ASP 66 HA ASP 66 13.726 2.638 29.341 489 HB2 ASP 66 HB2 ASP 66 11.562 0.577 28.880 490 HB3 ASP 66 HB3 ASP 66 13.292 0.249 28.890 491 H ARG 67 H ARG 67 11.589 3.923 27.325 492 HA ARG 67 HA ARG 67 13.295 3.287 25.026 493 HB2 ARG 67 HB2 ARG 67 10.297 3.634 24.785 494 HB3 ARG 67 HB3 ARG 67 11.427 3.251 23.496 495 HG2 ARG 67 HG2 ARG 67 11.893 1.087 24.546 496 HG3 ARG 67 HG3 ARG 67 10.731 1.466 25.820 497 HD2 ARG 67 HD2 ARG 67 8.985 1.694 24.062 498 HD3 ARG 67 HD3 ARG 67 10.169 1.140 22.879 499 HE ARG 67 HE ARG 67 10.056 -0.745 24.954 500 HH11 ARG 67 HH11 ARG 67 8.104 0.465 22.314 501 HH12 ARG 67 HH12 ARG 67 7.158 -0.983 22.165 502 HH21 ARG 67 HH21 ARG 67 8.801 -2.667 24.763 503 HH22 ARG 67 HH22 ARG 67 7.561 -2.759 23.553 504 HA PRO 68 HA PRO 68 12.810 7.741 26.037 505 HB2 PRO 68 HB2 PRO 68 15.379 8.411 26.156 506 HB3 PRO 68 HB3 PRO 68 14.623 7.474 27.447 507 HG2 PRO 68 HG2 PRO 68 16.352 6.538 25.195 508 HG3 PRO 68 HG3 PRO 68 16.403 6.074 26.908 509 HD2 PRO 68 HD2 PRO 68 15.170 4.597 24.937 510 HD3 PRO 68 HD3 PRO 68 14.732 4.530 26.655 511 H ASN 69 H ASN 69 13.658 6.181 23.269 512 HA ASN 69 HA ASN 69 13.701 8.655 21.761 513 HB2 ASN 69 HB2 ASN 69 16.100 7.991 22.478 514 HB3 ASN 69 HB3 ASN 69 15.952 6.729 21.257 515 HD21 ASN 69 HD21 ASN 69 16.053 10.156 21.840 516 HD22 ASN 69 HD22 ASN 69 16.423 10.630 20.217 517 H TYR 70 H TYR 70 11.706 6.695 21.788 518 HA TYR 70 HA TYR 70 12.034 5.541 19.102 519 HB2 TYR 70 HB2 TYR 70 10.375 3.994 19.575 520 HB3 TYR 70 HB3 TYR 70 11.045 4.227 21.185 521 HD1 TYR 70 HD1 TYR 70 9.834 5.817 22.754 522 HD2 TYR 70 HD2 TYR 70 8.109 4.395 19.141 523 HE1 TYR 70 HE1 TYR 70 7.612 6.439 23.574 524 HE2 TYR 70 HE2 TYR 70 5.875 5.018 19.951 525 HH TYR 70 HH TYR 70 5.385 7.063 22.531 526 H GLN 71 H GLN 71 9.531 5.663 18.059 527 HA GLN 71 HA GLN 71 9.309 7.956 16.740 528 HB2 GLN 71 HB2 GLN 71 6.992 6.342 17.798 529 HB3 GLN 71 HB3 GLN 71 6.814 7.634 16.621 530 HG2 GLN 71 HG2 GLN 71 6.849 5.694 15.353 531 HG3 GLN 71 HG3 GLN 71 8.478 6.345 15.199 532 HE21 GLN 71 HE21 GLN 71 6.530 3.781 16.420 533 HE22 GLN 71 HE22 GLN 71 7.830 2.730 16.881 534 H PHE 72 H PHE 72 7.020 7.594 19.465 535 HA PHE 72 HA PHE 72 6.988 10.510 19.590 536 HB2 PHE 72 HB2 PHE 72 5.048 8.479 20.705 537 HB3 PHE 72 HB3 PHE 72 4.906 10.219 20.931 538 HD1 PHE 72 HD1 PHE 72 2.738 8.679 19.755 539 HD2 PHE 72 HD2 PHE 72 6.140 10.444 17.899 540 HE1 PHE 72 HE1 PHE 72 1.501 8.836 17.635 541 HE2 PHE 72 HE2 PHE 72 4.907 10.606 15.780 542 HZ PHE 72 HZ PHE 72 2.584 9.801 15.644 543 H THR 73 H THR 73 9.028 10.559 20.639 544 HA THR 73 HA THR 73 8.604 10.796 23.509 545 HB THR 73 HB THR 73 11.070 9.381 22.456 546 HG1 THR 73 HG1 THR 73 8.579 8.464 23.191 547 HG21 THR 73 HG21 THR 73 11.466 8.894 24.838 548 HG22 THR 73 HG22 THR 73 10.051 9.859 25.260 549 HG23 THR 73 HG23 THR 73 11.454 10.630 24.518 550 H ASN 74 H ASN 74 10.763 11.241 20.727 551 HA ASN 74 HA ASN 74 11.851 13.685 21.892 552 HB2 ASN 74 HB2 ASN 74 13.257 12.031 20.549 553 HB3 ASN 74 HB3 ASN 74 12.385 12.586 19.122 554 HD21 ASN 74 HD21 ASN 74 14.164 13.454 18.127 555 HD22 ASN 74 HD22 ASN 74 14.974 14.867 18.704 556 H LEU 75 H LEU 75 9.010 13.059 20.796 557 HA LEU 75 HA LEU 75 8.562 14.726 18.564 558 HB2 LEU 75 HB2 LEU 75 7.054 12.906 19.301 559 HB3 LEU 75 HB3 LEU 75 6.610 13.866 20.698 560 HG LEU 75 HG LEU 75 5.602 15.554 19.242 561 HD11 LEU 75 HD11 LEU 75 7.056 15.280 17.301 562 HD12 LEU 75 HD12 LEU 75 5.356 15.145 16.850 563 HD13 LEU 75 HD13 LEU 75 6.351 13.695 16.990 564 HD21 LEU 75 HD21 LEU 75 4.223 13.720 20.054 565 HD22 LEU 75 HD22 LEU 75 4.675 12.746 18.656 566 HD23 LEU 75 HD23 LEU 75 3.719 14.213 18.437 567 H LYS 76 H LYS 76 9.218 15.470 21.797 568 HA LYS 76 HA LYS 76 7.791 17.920 21.985 569 HB2 LYS 76 HB2 LYS 76 9.518 18.386 23.840 570 HB3 LYS 76 HB3 LYS 76 8.400 17.053 24.061 571 HG2 LYS 76 HG2 LYS 76 10.546 16.351 24.797 572 HG3 LYS 76 HG3 LYS 76 10.197 15.502 23.298 573 HD2 LYS 76 HD2 LYS 76 11.675 16.923 22.073 574 HD3 LYS 76 HD3 LYS 76 11.868 18.007 23.452 575 HE2 LYS 76 HE2 LYS 76 13.023 16.287 24.695 576 HE3 LYS 76 HE3 LYS 76 12.722 15.113 23.418 577 HZ1 LYS 76 HZ1 LYS 76 14.185 16.228 21.974 578 HZ2 LYS 76 HZ2 LYS 76 14.996 16.132 23.461 579 HZ3 LYS 76 HZ3 LYS 76 14.284 17.593 22.977 580 H ALA 77 H ALA 77 10.452 17.005 20.164 581 HA ALA 77 HA ALA 77 11.693 19.609 20.034 582 HB1 ALA 77 HB1 ALA 77 13.063 18.616 18.252 583 HB2 ALA 77 HB2 ALA 77 12.069 17.159 18.310 584 HB3 ALA 77 HB3 ALA 77 13.049 17.614 19.704 585 H ALA 78 H ALA 78 8.914 18.237 18.773 586 HA ALA 78 HA ALA 78 8.896 19.617 16.243 587 HB1 ALA 78 HB1 ALA 78 6.582 18.803 16.079 588 HB2 ALA 78 HB2 ALA 78 6.687 18.199 17.735 589 HB3 ALA 78 HB3 ALA 78 7.708 17.505 16.475 590 H LYS 79 H LYS 79 8.072 21.586 15.832 591 HA LYS 79 HA LYS 79 6.815 22.995 18.092 592 HB2 LYS 79 HB2 LYS 79 8.717 24.138 16.041 593 HB3 LYS 79 HB3 LYS 79 7.900 25.060 17.295 594 HG2 LYS 79 HG2 LYS 79 9.904 22.861 17.721 595 HG3 LYS 79 HG3 LYS 79 10.174 24.591 17.937 596 HD2 LYS 79 HD2 LYS 79 8.813 24.688 19.832 597 HD3 LYS 79 HD3 LYS 79 8.013 23.163 19.450 598 HE2 LYS 79 HE2 LYS 79 9.577 22.963 21.345 599 HE3 LYS 79 HE3 LYS 79 10.023 21.933 19.988 600 HZ1 LYS 79 HZ1 LYS 79 11.753 23.408 19.381 601 HZ2 LYS 79 HZ2 LYS 79 11.894 23.169 21.056 602 HZ3 LYS 79 HZ3 LYS 79 11.219 24.602 20.461 603 H LYS 80 H LYS 80 6.025 25.261 16.996 604 HA LYS 80 HA LYS 80 3.539 24.441 15.997 605 HB2 LYS 80 HB2 LYS 80 3.007 26.802 15.846 606 HB3 LYS 80 HB3 LYS 80 3.863 26.447 17.336 607 HG2 LYS 80 HG2 LYS 80 5.118 28.214 16.813 608 HG3 LYS 80 HG3 LYS 80 5.904 27.133 15.663 609 HD2 LYS 80 HD2 LYS 80 5.246 29.228 14.587 610 HD3 LYS 80 HD3 LYS 80 4.358 27.858 13.911 611 HE2 LYS 80 HE2 LYS 80 2.415 28.413 15.244 612 HE3 LYS 80 HE3 LYS 80 3.300 29.706 16.047 613 HZ1 LYS 80 HZ1 LYS 80 2.696 29.623 13.140 614 HZ2 LYS 80 HZ2 LYS 80 3.443 30.894 13.978 615 HZ3 LYS 80 HZ3 LYS 80 1.820 30.512 14.290 616 H GLY 81 H GLY 81 6.393 25.001 14.244 617 HA2 GLY 81 HA2 GLY 81 4.778 24.908 11.778 618 HA3 GLY 81 HA3 GLY 81 6.163 25.994 11.897 619 H SER 82 H SER 82 6.057 22.757 13.246 620 HA SER 82 HA SER 82 8.307 21.981 11.612 621 HB2 SER 82 HB2 SER 82 6.711 20.495 13.714 622 HB3 SER 82 HB3 SER 82 8.136 19.850 12.910 623 HG SER 82 HG SER 82 8.822 22.228 13.783 624 H MET 83 H MET 83 8.104 21.076 9.670 625 HA MET 83 HA MET 83 5.539 20.385 8.640 626 HB2 MET 83 HB2 MET 83 8.316 20.042 7.525 627 HB3 MET 83 HB3 MET 83 6.869 19.544 6.659 628 HG2 MET 83 HG2 MET 83 6.282 22.124 7.362 629 HG3 MET 83 HG3 MET 83 8.013 22.193 7.032 630 HE1 MET 83 HE1 MET 83 4.885 20.649 4.016 631 HE2 MET 83 HE2 MET 83 4.440 21.423 5.537 632 HE3 MET 83 HE3 MET 83 5.266 19.864 5.552 633 H VAL 84 H VAL 84 4.523 18.696 9.358 634 HA VAL 84 HA VAL 84 5.926 16.231 9.995 635 HB VAL 84 HB VAL 84 2.986 16.903 10.120 636 HG11 VAL 84 HG11 VAL 84 3.367 14.515 9.903 637 HG12 VAL 84 HG12 VAL 84 2.786 14.911 11.522 638 HG13 VAL 84 HG13 VAL 84 4.495 14.563 11.257 639 HG21 VAL 84 HG21 VAL 84 4.296 18.273 11.649 640 HG22 VAL 84 HG22 VAL 84 5.039 16.822 12.320 641 HG23 VAL 84 HG23 VAL 84 3.310 17.104 12.528 642 H TYR 85 H TYR 85 6.351 14.843 8.409 643 HA TYR 85 HA TYR 85 4.597 14.804 6.057 644 HB2 TYR 85 HB2 TYR 85 7.354 13.604 6.416 645 HB3 TYR 85 HB3 TYR 85 6.433 13.655 4.918 646 HD1 TYR 85 HD1 TYR 85 5.970 15.887 3.852 647 HD2 TYR 85 HD2 TYR 85 8.698 15.428 7.083 648 HE1 TYR 85 HE1 TYR 85 7.001 18.042 3.281 649 HE2 TYR 85 HE2 TYR 85 9.736 17.586 6.524 650 HH TYR 85 HH TYR 85 8.327 19.772 4.274 651 H PHE 86 H PHE 86 3.155 13.220 5.909 652 HA PHE 86 HA PHE 86 3.689 10.730 7.394 653 HB2 PHE 86 HB2 PHE 86 1.685 12.133 8.080 654 HB3 PHE 86 HB3 PHE 86 0.977 11.733 6.520 655 HD1 PHE 86 HD1 PHE 86 2.855 9.709 9.025 656 HD2 PHE 86 HD2 PHE 86 -0.756 10.260 6.844 657 HE1 PHE 86 HE1 PHE 86 1.958 7.633 9.993 658 HE2 PHE 86 HE2 PHE 86 -1.655 8.183 7.805 659 HZ PHE 86 HZ PHE 86 -0.302 6.867 9.382 660 H LYS 87 H LYS 87 4.636 9.439 5.946 661 HA LYS 87 HA LYS 87 3.961 9.477 3.151 662 HB2 LYS 87 HB2 LYS 87 6.060 8.399 4.779 663 HB3 LYS 87 HB3 LYS 87 5.422 7.130 3.745 664 HG2 LYS 87 HG2 LYS 87 7.006 7.963 2.365 665 HG3 LYS 87 HG3 LYS 87 5.664 9.009 1.907 666 HD2 LYS 87 HD2 LYS 87 6.485 10.776 3.313 667 HD3 LYS 87 HD3 LYS 87 7.728 9.717 3.987 668 HE2 LYS 87 HE2 LYS 87 8.542 9.470 1.566 669 HE3 LYS 87 HE3 LYS 87 7.542 10.878 1.225 670 HZ1 LYS 87 HZ1 LYS 87 9.996 11.226 1.811 671 HZ2 LYS 87 HZ2 LYS 87 9.519 10.934 3.416 672 HZ3 LYS 87 HZ3 LYS 87 8.849 12.229 2.557 673 H VAL 88 H VAL 88 2.007 8.730 2.613 674 HA VAL 88 HA VAL 88 0.950 6.357 3.957 675 HB VAL 88 HB VAL 88 -1.173 7.003 2.661 676 HG11 VAL 88 HG11 VAL 88 -0.900 7.360 5.051 677 HG12 VAL 88 HG12 VAL 88 -1.750 8.718 4.314 678 HG13 VAL 88 HG13 VAL 88 -0.044 8.869 4.738 679 HG21 VAL 88 HG21 VAL 88 0.370 9.581 2.382 680 HG22 VAL 88 HG22 VAL 88 -1.326 9.328 1.962 681 HG23 VAL 88 HG23 VAL 88 -0.057 8.499 1.056 682 H GLY 89 H GLY 89 2.251 4.820 2.904 683 HA2 GLY 89 HA2 GLY 89 2.329 3.046 1.420 684 HA3 GLY 89 HA3 GLY 89 1.016 3.786 0.523 685 H ASN 90 H ASN 90 1.893 6.047 -0.430 686 HA ASN 90 HA ASN 90 4.350 5.414 -1.884 687 HB2 ASN 90 HB2 ASN 90 2.160 4.616 -3.004 688 HB3 ASN 90 HB3 ASN 90 1.914 6.322 -3.347 689 HD21 ASN 90 HD21 ASN 90 2.555 3.802 -4.914 690 HD22 ASN 90 HD22 ASN 90 3.817 4.311 -5.991 691 H GLU 91 H GLU 91 1.904 7.775 -1.058 692 HA GLU 91 HA GLU 91 3.794 9.907 -1.808 693 HB2 GLU 91 HB2 GLU 91 1.846 11.443 -1.769 694 HB3 GLU 91 HB3 GLU 91 1.696 10.179 -2.979 695 HG2 GLU 91 HG2 GLU 91 0.054 9.046 -1.747 696 HG3 GLU 91 HG3 GLU 91 0.421 9.947 -0.275 697 H THR 92 H THR 92 3.237 11.971 -0.300 698 HA THR 92 HA THR 92 2.942 10.978 2.436 699 HB THR 92 HB THR 92 5.381 11.360 1.868 700 HG1 THR 92 HG1 THR 92 4.765 11.408 4.025 701 HG21 THR 92 HG21 THR 92 5.075 13.381 0.487 702 HG22 THR 92 HG22 THR 92 6.209 13.637 1.815 703 HG23 THR 92 HG23 THR 92 4.561 14.259 1.929 704 H ARG 93 H ARG 93 1.898 12.299 3.802 705 HA ARG 93 HA ARG 93 0.562 14.620 2.610 706 HB2 ARG 93 HB2 ARG 93 -0.108 13.224 5.209 707 HB3 ARG 93 HB3 ARG 93 -1.094 14.401 4.353 708 HG2 ARG 93 HG2 ARG 93 -0.433 11.612 3.429 709 HG3 ARG 93 HG3 ARG 93 -1.982 12.175 4.054 710 HD2 ARG 93 HD2 ARG 93 -0.648 13.243 1.575 711 HD3 ARG 93 HD3 ARG 93 -1.886 11.989 1.576 712 HE ARG 93 HE ARG 93 -2.632 14.471 2.894 713 HH11 ARG 93 HH11 ARG 93 -2.585 12.649 -0.124 714 HH12 ARG 93 HH12 ARG 93 -3.959 13.491 -0.781 715 HH21 ARG 93 HH21 ARG 93 -4.401 15.590 2.000 716 HH22 ARG 93 HH22 ARG 93 -4.999 15.140 0.420 717 H LYS 94 H LYS 94 0.929 16.628 3.361 718 HA LYS 94 HA LYS 94 3.037 16.900 5.373 719 HB2 LYS 94 HB2 LYS 94 3.128 19.293 4.443 720 HB3 LYS 94 HB3 LYS 94 3.731 18.004 3.416 721 HG2 LYS 94 HG2 LYS 94 0.903 18.946 3.166 722 HG3 LYS 94 HG3 LYS 94 2.219 19.842 2.410 723 HD2 LYS 94 HD2 LYS 94 1.893 16.892 1.960 724 HD3 LYS 94 HD3 LYS 94 0.969 18.066 1.021 725 HE2 LYS 94 HE2 LYS 94 3.970 18.135 1.264 726 HE3 LYS 94 HE3 LYS 94 3.124 17.279 -0.025 727 HZ1 LYS 94 HZ1 LYS 94 2.847 20.188 0.546 728 HZ2 LYS 94 HZ2 LYS 94 2.143 19.337 -0.748 729 HZ3 LYS 94 HZ3 LYS 94 3.825 19.524 -0.677 730 H TYR 95 H TYR 95 2.610 17.696 7.310 731 HA TYR 95 HA TYR 95 0.087 19.169 7.692 732 HB2 TYR 95 HB2 TYR 95 1.326 17.196 9.622 733 HB3 TYR 95 HB3 TYR 95 -0.150 18.110 9.891 734 HD1 TYR 95 HD1 TYR 95 1.335 15.202 8.310 735 HD2 TYR 95 HD2 TYR 95 -2.185 17.567 8.593 736 HE1 TYR 95 HE1 TYR 95 0.035 13.376 7.301 737 HE2 TYR 95 HE2 TYR 95 -3.496 15.752 7.582 738 HH TYR 95 HH TYR 95 -3.117 13.809 6.129 739 H LYS 96 H LYS 96 0.096 20.801 9.250 740 HA LYS 96 HA LYS 96 2.778 21.678 10.126 741 HB2 LYS 96 HB2 LYS 96 0.893 23.054 8.621 742 HB3 LYS 96 HB3 LYS 96 0.641 23.670 10.249 743 HG2 LYS 96 HG2 LYS 96 2.180 25.097 9.133 744 HG3 LYS 96 HG3 LYS 96 3.062 24.194 10.366 745 HD2 LYS 96 HD2 LYS 96 3.850 22.639 8.636 746 HD3 LYS 96 HD3 LYS 96 2.984 23.572 7.415 747 HE2 LYS 96 HE2 LYS 96 5.264 24.529 9.138 748 HE3 LYS 96 HE3 LYS 96 5.312 24.190 7.408 749 HZ1 LYS 96 HZ1 LYS 96 3.968 26.037 6.941 750 HZ2 LYS 96 HZ2 LYS 96 5.091 26.598 8.088 751 HZ3 LYS 96 HZ3 LYS 96 3.505 26.234 8.560 752 H MET 97 H MET 97 3.104 22.047 12.306 753 HA MET 97 HA MET 97 1.070 20.987 14.075 754 HB2 MET 97 HB2 MET 97 3.845 22.065 14.556 755 HB3 MET 97 HB3 MET 97 2.793 21.544 15.860 756 HG2 MET 97 HG2 MET 97 3.694 19.783 13.596 757 HG3 MET 97 HG3 MET 97 4.470 19.866 15.177 758 HE1 MET 97 HE1 MET 97 3.807 17.097 14.342 759 HE2 MET 97 HE2 MET 97 2.834 16.441 15.658 760 HE3 MET 97 HE3 MET 97 4.233 17.455 16.015 761 H THR 98 H THR 98 -0.353 22.834 13.289 762 HA THR 98 HA THR 98 0.319 25.488 14.120 763 HB THR 98 HB THR 98 -0.938 25.151 12.086 764 HG1 THR 98 HG1 THR 98 -3.013 26.380 13.083 765 HG21 THR 98 HG21 THR 98 -2.139 23.129 12.622 766 HG22 THR 98 HG22 THR 98 -3.290 24.382 12.152 767 HG23 THR 98 HG23 THR 98 -3.079 23.972 13.855 768 H SER 99 H SER 99 -1.006 22.869 15.789 769 HA SER 99 HA SER 99 -1.675 24.677 17.972 770 HB2 SER 99 HB2 SER 99 -3.560 22.532 16.975 771 HB3 SER 99 HB3 SER 99 -3.778 23.460 18.458 772 HG SER 99 HG SER 99 -3.318 25.084 16.339 773 H ILE 100 H ILE 100 -0.115 24.058 19.332 774 HA ILE 100 HA ILE 100 0.053 21.186 20.011 775 HB ILE 100 HB ILE 100 2.247 23.264 20.106 776 HG12 ILE 100 HG12 ILE 100 2.005 20.748 18.444 777 HG13 ILE 100 HG13 ILE 100 1.751 22.384 17.845 778 HG21 ILE 100 HG21 ILE 100 2.380 21.726 22.004 779 HG22 ILE 100 HG22 ILE 100 3.709 21.472 20.873 780 HG23 ILE 100 HG23 ILE 100 2.344 20.354 20.895 781 HD11 ILE 100 HD11 ILE 100 3.961 21.521 17.268 782 HD12 ILE 100 HD12 ILE 100 4.327 21.325 18.982 783 HD13 ILE 100 HD13 ILE 100 4.065 22.936 18.315 784 H ARG 101 H ARG 101 -0.501 20.703 22.061 785 HA ARG 101 HA ARG 101 0.344 22.399 24.224 786 HB2 ARG 101 HB2 ARG 101 -1.810 22.874 25.185 787 HB3 ARG 101 HB3 ARG 101 -1.800 23.481 23.536 788 HG2 ARG 101 HG2 ARG 101 -3.085 21.591 22.783 789 HG3 ARG 101 HG3 ARG 101 -3.022 20.870 24.394 790 HD2 ARG 101 HD2 ARG 101 -5.152 21.927 24.114 791 HD3 ARG 101 HD3 ARG 101 -4.211 22.864 25.272 792 HE ARG 101 HE ARG 101 -3.753 24.020 22.804 793 HH11 ARG 101 HH11 ARG 101 -6.477 23.483 24.934 794 HH12 ARG 101 HH12 ARG 101 -7.412 24.802 24.294 795 HH21 ARG 101 HH21 ARG 101 -4.959 25.763 21.969 796 HH22 ARG 101 HH22 ARG 101 -6.544 26.101 22.597 797 H ASP 102 H ASP 102 -0.582 21.454 26.351 798 HA ASP 102 HA ASP 102 -1.107 18.580 26.100 799 HB2 ASP 102 HB2 ASP 102 0.205 18.504 28.411 800 HB3 ASP 102 HB3 ASP 102 1.035 18.323 26.872 801 H VAL 103 H VAL 103 -2.912 18.021 27.080 802 HA VAL 103 HA VAL 103 -4.437 20.095 28.339 803 HB VAL 103 HB VAL 103 -6.265 18.469 28.444 804 HG11 VAL 103 HG11 VAL 103 -4.830 18.482 25.796 805 HG12 VAL 103 HG12 VAL 103 -5.921 19.731 26.396 806 HG13 VAL 103 HG13 VAL 103 -6.538 18.117 26.042 807 HG21 VAL 103 HG21 VAL 103 -4.255 16.511 27.337 808 HG22 VAL 103 HG22 VAL 103 -5.986 16.221 27.507 809 HG23 VAL 103 HG23 VAL 103 -4.987 16.461 28.942 810 H LYS 104 H LYS 104 -5.405 20.018 30.370 811 HA LYS 104 HA LYS 104 -3.674 18.907 32.412 812 HB2 LYS 104 HB2 LYS 104 -6.070 20.755 32.574 813 HB3 LYS 104 HB3 LYS 104 -5.140 20.226 33.968 814 HG2 LYS 104 HG2 LYS 104 -4.355 22.372 33.458 815 HG3 LYS 104 HG3 LYS 104 -3.123 21.270 32.848 816 HD2 LYS 104 HD2 LYS 104 -3.462 22.965 31.206 817 HD3 LYS 104 HD3 LYS 104 -4.174 21.474 30.587 818 HE2 LYS 104 HE2 LYS 104 -5.650 23.334 30.136 819 HE3 LYS 104 HE3 LYS 104 -6.393 22.263 31.326 820 HZ1 LYS 104 HZ1 LYS 104 -4.870 24.696 32.080 821 HZ2 LYS 104 HZ2 LYS 104 -5.904 23.772 33.057 822 HZ3 LYS 104 HZ3 LYS 104 -6.544 24.714 31.801 823 HA PRO 105 HA PRO 105 -6.197 15.389 33.353 824 HB2 PRO 105 HB2 PRO 105 -5.669 15.939 36.213 825 HB3 PRO 105 HB3 PRO 105 -5.286 14.507 35.253 826 HG2 PRO 105 HG2 PRO 105 -3.375 16.209 36.027 827 HG3 PRO 105 HG3 PRO 105 -3.317 15.409 34.445 828 HD2 PRO 105 HD2 PRO 105 -4.109 18.213 35.125 829 HD3 PRO 105 HD3 PRO 105 -3.169 17.610 33.745 830 H THR 106 H THR 106 -6.810 18.499 34.647 831 HA THR 106 HA THR 106 -9.408 17.699 35.724 832 HB THR 106 HB THR 106 -7.961 19.095 37.161 833 HG1 THR 106 HG1 THR 106 -9.944 19.567 37.777 834 HG21 THR 106 HG21 THR 106 -6.808 20.367 35.428 835 HG22 THR 106 HG22 THR 106 -7.567 21.446 36.598 836 HG23 THR 106 HG23 THR 106 -8.312 21.193 35.020 837 H ASP 107 H ASP 107 -8.130 18.705 32.829 838 HA ASP 107 HA ASP 107 -10.353 20.470 32.132 839 HB2 ASP 107 HB2 ASP 107 -8.035 21.058 31.400 840 HB3 ASP 107 HB3 ASP 107 -8.027 19.609 30.398 841 H VAL 108 H VAL 108 -12.019 19.883 30.919 842 HA VAL 108 HA VAL 108 -11.930 17.310 29.505 843 HB VAL 108 HB VAL 108 -14.282 16.887 30.192 844 HG11 VAL 108 HG11 VAL 108 -12.309 17.112 32.462 845 HG12 VAL 108 HG12 VAL 108 -12.477 15.754 31.350 846 HG13 VAL 108 HG13 VAL 108 -13.780 16.138 32.475 847 HG21 VAL 108 HG21 VAL 108 -15.215 18.098 32.106 848 HG22 VAL 108 HG22 VAL 108 -14.928 19.174 30.739 849 HG23 VAL 108 HG23 VAL 108 -13.818 19.173 32.108 850 H GLU 109 H GLU 109 -11.668 20.137 28.683 851 HA GLU 109 HA GLU 109 -14.175 20.476 27.158 852 HB2 GLU 109 HB2 GLU 109 -12.269 22.661 27.989 853 HB3 GLU 109 HB3 GLU 109 -13.869 22.852 27.286 854 HG2 GLU 109 HG2 GLU 109 -14.890 21.940 29.281 855 HG3 GLU 109 HG3 GLU 109 -13.300 21.640 29.979 856 H VAL 110 H VAL 110 -10.692 20.330 27.009 857 HA VAL 110 HA VAL 110 -10.494 21.596 24.445 858 HB VAL 110 HB VAL 110 -8.526 20.090 26.167 859 HG11 VAL 110 HG11 VAL 110 -7.869 19.865 23.867 860 HG12 VAL 110 HG12 VAL 110 -6.790 20.987 24.696 861 HG13 VAL 110 HG13 VAL 110 -8.044 21.600 23.617 862 HG21 VAL 110 HG21 VAL 110 -8.888 23.026 25.594 863 HG22 VAL 110 HG22 VAL 110 -7.577 22.327 26.544 864 HG23 VAL 110 HG23 VAL 110 -9.242 22.198 27.112 865 H LEU 111 H LEU 111 -11.120 18.461 25.618 866 HA LEU 111 HA LEU 111 -10.144 17.189 23.184 867 HB2 LEU 111 HB2 LEU 111 -10.682 15.055 24.576 868 HB3 LEU 111 HB3 LEU 111 -9.224 15.969 24.876 869 HG LEU 111 HG LEU 111 -10.467 15.106 26.903 870 HD11 LEU 111 HD11 LEU 111 -9.858 18.036 26.714 871 HD12 LEU 111 HD12 LEU 111 -8.767 16.740 27.198 872 HD13 LEU 111 HD13 LEU 111 -10.139 17.167 28.221 873 HD21 LEU 111 HD21 LEU 111 -12.735 15.598 26.208 874 HD22 LEU 111 HD22 LEU 111 -12.375 17.323 26.232 875 HD23 LEU 111 HD23 LEU 111 -12.350 16.397 27.732 876 H ASP 112 H ASP 112 -12.665 18.757 23.418 877 HA ASP 112 HA ASP 112 -14.671 16.702 22.966 878 HB2 ASP 112 HB2 ASP 112 -16.271 18.317 23.244 879 HB3 ASP 112 HB3 ASP 112 -14.957 19.106 24.103 880 H GLU 113 H GLU 113 -16.138 17.316 20.910 881 HA GLU 113 HA GLU 113 -14.446 16.618 18.726 882 HB2 GLU 113 HB2 GLU 113 -16.614 16.643 17.428 883 HB3 GLU 113 HB3 GLU 113 -16.558 15.557 18.807 884 HG2 GLU 113 HG2 GLU 113 -17.782 17.233 20.139 885 HG3 GLU 113 HG3 GLU 113 -17.888 18.255 18.706 886 H GLN 114 H GLN 114 -13.187 18.694 18.944 887 HA GLN 114 HA GLN 114 -14.385 21.008 17.737 888 HB2 GLN 114 HB2 GLN 114 -11.625 20.425 18.748 889 HB3 GLN 114 HB3 GLN 114 -12.082 21.959 18.001 890 HG2 GLN 114 HG2 GLN 114 -13.664 22.409 19.661 891 HG3 GLN 114 HG3 GLN 114 -13.594 20.769 20.284 892 HE21 GLN 114 HE21 GLN 114 -13.197 21.355 22.269 893 HE22 GLN 114 HE22 GLN 114 -11.686 21.998 22.797 894 H LYS 115 H LYS 115 -14.899 19.835 15.711 895 HA LYS 115 HA LYS 115 -12.609 19.497 13.940 896 HB2 LYS 115 HB2 LYS 115 -14.218 18.404 12.408 897 HB3 LYS 115 HB3 LYS 115 -14.108 17.628 13.976 898 HG2 LYS 115 HG2 LYS 115 -16.256 19.628 13.627 899 HG3 LYS 115 HG3 LYS 115 -16.425 18.092 12.775 900 HD2 LYS 115 HD2 LYS 115 -16.010 16.926 14.934 901 HD3 LYS 115 HD3 LYS 115 -16.031 18.493 15.737 902 HE2 LYS 115 HE2 LYS 115 -18.296 17.263 14.181 903 HE3 LYS 115 HE3 LYS 115 -18.174 17.358 15.935 904 HZ1 LYS 115 HZ1 LYS 115 -18.147 19.812 15.697 905 HZ2 LYS 115 HZ2 LYS 115 -19.590 19.088 15.189 906 HZ3 LYS 115 HZ3 LYS 115 -18.464 19.622 14.039 907 H GLY 116 H GLY 116 -13.443 20.046 11.511 908 HA2 GLY 116 HA2 GLY 116 -14.628 21.841 10.298 909 HA3 GLY 116 HA3 GLY 116 -14.250 22.889 11.659 910 H LYS 117 H LYS 117 -11.654 21.025 11.411 911 HA LYS 117 HA LYS 117 -10.110 22.978 9.927 912 HB2 LYS 117 HB2 LYS 117 -9.315 20.418 11.339 913 HB3 LYS 117 HB3 LYS 117 -8.183 21.516 10.565 914 HG2 LYS 117 HG2 LYS 117 -9.986 22.253 12.859 915 HG3 LYS 117 HG3 LYS 117 -8.299 21.762 13.019 916 HD2 LYS 117 HD2 LYS 117 -7.708 23.669 11.488 917 HD3 LYS 117 HD3 LYS 117 -9.385 24.204 11.628 918 HE2 LYS 117 HE2 LYS 117 -7.387 23.913 13.864 919 HE3 LYS 117 HE3 LYS 117 -8.006 25.421 13.195 920 HZ1 LYS 117 HZ1 LYS 117 -9.197 25.036 15.165 921 HZ2 LYS 117 HZ2 LYS 117 -9.466 23.402 14.799 922 HZ3 LYS 117 HZ3 LYS 117 -10.268 24.607 13.919 923 H ASP 118 H ASP 118 -8.231 21.660 8.628 924 HA ASP 118 HA ASP 118 -9.537 20.074 6.577 925 HB2 ASP 118 HB2 ASP 118 -7.532 21.816 6.356 926 HB3 ASP 118 HB3 ASP 118 -6.559 20.404 6.754 927 H LYS 119 H LYS 119 -7.364 18.236 6.098 928 HA LYS 119 HA LYS 119 -7.908 16.186 7.962 929 HB2 LYS 119 HB2 LYS 119 -5.803 16.584 5.867 930 HB3 LYS 119 HB3 LYS 119 -5.652 15.250 7.001 931 HG2 LYS 119 HG2 LYS 119 -6.696 14.574 4.896 932 HG3 LYS 119 HG3 LYS 119 -7.768 14.343 6.273 933 HD2 LYS 119 HD2 LYS 119 -9.035 16.283 5.706 934 HD3 LYS 119 HD3 LYS 119 -7.861 16.760 4.479 935 HE2 LYS 119 HE2 LYS 119 -9.543 14.257 4.395 936 HE3 LYS 119 HE3 LYS 119 -9.887 15.746 3.513 937 HZ1 LYS 119 HZ1 LYS 119 -7.391 14.182 3.197 938 HZ2 LYS 119 HZ2 LYS 119 -7.898 15.493 2.258 939 HZ3 LYS 119 HZ3 LYS 119 -8.735 14.019 2.182 940 H GLN 120 H GLN 120 -7.476 16.443 10.072 941 HA GLN 120 HA GLN 120 -4.959 17.774 10.786 942 HB2 GLN 120 HB2 GLN 120 -5.922 18.380 12.865 943 HB3 GLN 120 HB3 GLN 120 -7.146 18.701 11.649 944 HG2 GLN 120 HG2 GLN 120 -8.227 16.548 12.243 945 HG3 GLN 120 HG3 GLN 120 -7.051 16.369 13.545 946 HE21 GLN 120 HE21 GLN 120 -8.465 16.476 15.223 947 HE22 GLN 120 HE22 GLN 120 -9.370 17.895 15.622 948 H LEU 121 H LEU 121 -3.346 16.659 11.579 949 HA LEU 121 HA LEU 121 -3.771 13.869 12.309 950 HB2 LEU 121 HB2 LEU 121 -1.920 14.550 10.758 951 HB3 LEU 121 HB3 LEU 121 -1.181 15.410 12.097 952 HG LEU 121 HG LEU 121 -0.931 13.291 13.322 953 HD11 LEU 121 HD11 LEU 121 -2.012 12.028 10.805 954 HD12 LEU 121 HD12 LEU 121 -2.858 12.126 12.350 955 HD13 LEU 121 HD13 LEU 121 -1.379 11.173 12.213 956 HD21 LEU 121 HD21 LEU 121 0.902 14.065 11.930 957 HD22 LEU 121 HD22 LEU 121 0.197 13.267 10.525 958 HD23 LEU 121 HD23 LEU 121 0.797 12.306 11.876 959 H THR 122 H THR 122 -4.320 13.511 14.323 960 HA THR 122 HA THR 122 -3.524 15.407 16.400 961 HB THR 122 HB THR 122 -5.466 13.101 16.615 962 HG1 THR 122 HG1 THR 122 -6.010 14.736 14.981 963 HG21 THR 122 HG21 THR 122 -6.360 14.390 18.504 964 HG22 THR 122 HG22 THR 122 -5.109 15.610 18.260 965 HG23 THR 122 HG23 THR 122 -4.664 13.976 18.752 966 H LEU 123 H LEU 123 -1.515 14.904 17.072 967 HA LEU 123 HA LEU 123 -0.777 12.138 17.593 968 HB2 LEU 123 HB2 LEU 123 0.756 14.698 18.071 969 HB3 LEU 123 HB3 LEU 123 1.393 13.089 18.306 970 HG LEU 123 HG LEU 123 2.288 13.845 16.266 971 HD11 LEU 123 HD11 LEU 123 1.307 12.343 14.588 972 HD12 LEU 123 HD12 LEU 123 -0.077 12.085 15.651 973 HD13 LEU 123 HD13 LEU 123 1.531 11.560 16.150 974 HD21 LEU 123 HD21 LEU 123 0.816 15.734 15.870 975 HD22 LEU 123 HD22 LEU 123 -0.489 14.637 15.415 976 HD23 LEU 123 HD23 LEU 123 0.966 14.737 14.423 977 H ILE 124 H ILE 124 -1.844 11.362 19.342 978 HA ILE 124 HA ILE 124 -2.104 13.039 21.717 979 HB ILE 124 HB ILE 124 -3.100 10.207 21.386 980 HG12 ILE 124 HG12 ILE 124 -4.639 12.766 20.877 981 HG13 ILE 124 HG13 ILE 124 -3.993 11.731 19.608 982 HG21 ILE 124 HG21 ILE 124 -4.674 10.869 23.166 983 HG22 ILE 124 HG22 ILE 124 -3.891 12.447 23.250 984 HG23 ILE 124 HG23 ILE 124 -2.992 10.992 23.683 985 HD11 ILE 124 HD11 ILE 124 -6.364 11.336 19.967 986 HD12 ILE 124 HD12 ILE 124 -6.050 10.925 21.653 987 HD13 ILE 124 HD13 ILE 124 -5.413 9.906 20.363 988 H THR 125 H THR 125 0.002 13.132 22.454 989 HA THR 125 HA THR 125 1.328 10.588 23.069 990 HB THR 125 HB THR 125 2.502 13.374 23.174 991 HG1 THR 125 HG1 THR 125 1.761 12.024 21.056 992 HG21 THR 125 HG21 THR 125 3.798 10.642 23.111 993 HG22 THR 125 HG22 THR 125 3.713 11.713 24.509 994 HG23 THR 125 HG23 THR 125 4.653 12.186 23.092 995 H CYS 126 H CYS 126 0.496 9.907 24.970 996 HA CYS 126 HA CYS 126 -0.302 11.574 27.078 997 HB2 CYS 126 HB2 CYS 126 0.492 8.649 27.126 998 HB3 CYS 126 HB3 CYS 126 -0.380 9.489 28.413 999 H ASP 127 H ASP 127 0.765 12.492 28.749 1000 HA ASP 127 HA ASP 127 3.668 12.551 28.321 1001 HB2 ASP 127 HB2 ASP 127 2.701 14.520 27.444 1002 HB3 ASP 127 HB3 ASP 127 1.642 14.709 28.831 1003 H ASP 128 H ASP 128 1.256 12.174 30.683 1004 HA ASP 128 HA ASP 128 3.265 12.192 32.807 1005 HB2 ASP 128 HB2 ASP 128 2.060 14.428 32.746 1006 HB3 ASP 128 HB3 ASP 128 0.583 13.549 33.133 1007 H TYR 129 H TYR 129 3.145 10.081 33.391 1008 HA TYR 129 HA TYR 129 0.471 9.035 33.915 1009 HB2 TYR 129 HB2 TYR 129 1.188 6.912 33.560 1010 HB3 TYR 129 HB3 TYR 129 2.370 7.751 32.577 1011 HD1 TYR 129 HD1 TYR 129 1.840 6.019 35.800 1012 HD2 TYR 129 HD2 TYR 129 4.696 7.625 33.080 1013 HE1 TYR 129 HE1 TYR 129 3.628 4.833 36.991 1014 HE2 TYR 129 HE2 TYR 129 6.500 6.457 34.281 1015 HH TYR 129 HH TYR 129 6.939 5.499 36.498 1016 H ASN 130 H ASN 130 -0.273 8.718 35.831 1017 HA ASN 130 HA ASN 130 1.176 9.781 38.080 1018 HB2 ASN 130 HB2 ASN 130 -1.268 10.196 37.622 1019 HB3 ASN 130 HB3 ASN 130 -1.575 8.504 37.999 1020 HD21 ASN 130 HD21 ASN 130 -2.426 11.053 39.255 1021 HD22 ASN 130 HD22 ASN 130 -2.007 10.890 40.930 1022 H GLU 131 H GLU 131 2.705 8.482 38.854 1023 HA GLU 131 HA GLU 131 2.917 5.742 38.595 1024 HB2 GLU 131 HB2 GLU 131 4.062 7.455 40.802 1025 HB3 GLU 131 HB3 GLU 131 4.654 5.873 40.311 1026 HG2 GLU 131 HG2 GLU 131 5.230 6.777 38.112 1027 HG3 GLU 131 HG3 GLU 131 4.647 8.363 38.617 1028 H LYS 132 H LYS 132 1.072 7.529 40.936 1029 HA LYS 132 HA LYS 132 0.950 5.448 42.886 1030 HB2 LYS 132 HB2 LYS 132 -0.280 8.133 42.502 1031 HB3 LYS 132 HB3 LYS 132 -1.031 7.027 43.634 1032 HG2 LYS 132 HG2 LYS 132 0.499 8.515 44.775 1033 HG3 LYS 132 HG3 LYS 132 1.067 6.851 44.867 1034 HD2 LYS 132 HD2 LYS 132 2.597 7.326 42.967 1035 HD3 LYS 132 HD3 LYS 132 2.087 9.014 43.033 1036 HE2 LYS 132 HE2 LYS 132 4.182 8.723 44.222 1037 HE3 LYS 132 HE3 LYS 132 2.895 9.152 45.351 1038 HZ1 LYS 132 HZ1 LYS 132 3.968 6.419 44.876 1039 HZ2 LYS 132 HZ2 LYS 132 2.687 6.795 45.924 1040 HZ3 LYS 132 HZ3 LYS 132 4.244 7.379 46.249 1041 H THR 133 H THR 133 -0.704 6.055 39.963 1042 HA THR 133 HA THR 133 -2.812 4.157 40.758 1043 HB THR 133 HB THR 133 -4.271 5.407 39.068 1044 HG1 THR 133 HG1 THR 133 -3.402 7.788 39.229 1045 HG21 THR 133 HG21 THR 133 -4.954 7.091 40.708 1046 HG22 THR 133 HG22 THR 133 -3.445 6.851 41.587 1047 HG23 THR 133 HG23 THR 133 -4.624 5.545 41.492 1048 H GLY 134 H GLY 134 -0.810 5.439 38.172 1049 HA2 GLY 134 HA2 GLY 134 0.241 4.049 36.556 1050 HA3 GLY 134 HA3 GLY 134 -1.057 2.882 36.754 1051 H VAL 135 H VAL 135 -2.289 5.997 36.623 1052 HA VAL 135 HA VAL 135 -3.158 5.567 33.881 1053 HB VAL 135 HB VAL 135 -4.836 7.273 34.372 1054 HG11 VAL 135 HG11 VAL 135 -6.151 5.974 36.006 1055 HG12 VAL 135 HG12 VAL 135 -4.702 5.040 36.380 1056 HG13 VAL 135 HG13 VAL 135 -5.409 4.964 34.766 1057 HG21 VAL 135 HG21 VAL 135 -3.722 8.679 35.934 1058 HG22 VAL 135 HG22 VAL 135 -3.584 7.354 37.092 1059 HG23 VAL 135 HG23 VAL 135 -5.168 8.029 36.711 1060 H TRP 136 H TRP 136 -2.754 6.996 32.244 1061 HA TRP 136 HA TRP 136 -0.835 9.112 32.754 1062 HB2 TRP 136 HB2 TRP 136 -2.101 8.203 30.163 1063 HB3 TRP 136 HB3 TRP 136 -0.837 9.420 30.302 1064 HD1 TRP 136 HD1 TRP 136 -1.359 5.644 30.977 1065 HE1 TRP 136 HE1 TRP 136 0.898 4.451 30.658 1066 HE3 TRP 136 HE3 TRP 136 1.599 9.733 30.162 1067 HZ2 TRP 136 HZ2 TRP 136 3.589 5.163 30.142 1068 HZ3 TRP 136 HZ3 TRP 136 4.003 9.390 29.769 1069 HH2 TRP 136 HH2 TRP 136 4.974 7.153 29.759 1070 H GLU 137 H GLU 137 -2.042 10.541 33.961 1071 HA GLU 137 HA GLU 137 -4.666 11.355 33.333 1072 HB2 GLU 137 HB2 GLU 137 -2.550 12.735 34.989 1073 HB3 GLU 137 HB3 GLU 137 -4.259 13.159 34.973 1074 HG2 GLU 137 HG2 GLU 137 -4.817 10.944 35.836 1075 HG3 GLU 137 HG3 GLU 137 -3.105 10.522 35.860 1076 H LYS 138 H LYS 138 -1.676 13.283 33.184 1077 HA LYS 138 HA LYS 138 -2.927 15.122 31.331 1078 HB2 LYS 138 HB2 LYS 138 -1.607 16.118 33.046 1079 HB3 LYS 138 HB3 LYS 138 -0.256 15.050 32.726 1080 HG2 LYS 138 HG2 LYS 138 0.300 16.193 30.734 1081 HG3 LYS 138 HG3 LYS 138 -1.224 17.085 30.744 1082 HD2 LYS 138 HD2 LYS 138 -0.569 18.324 32.682 1083 HD3 LYS 138 HD3 LYS 138 0.856 17.315 32.912 1084 HE2 LYS 138 HE2 LYS 138 0.530 18.804 30.353 1085 HE3 LYS 138 HE3 LYS 138 1.041 19.682 31.794 1086 HZ1 LYS 138 HZ1 LYS 138 2.921 18.887 30.471 1087 HZ2 LYS 138 HZ2 LYS 138 2.418 17.282 30.680 1088 HZ3 LYS 138 HZ3 LYS 138 2.916 18.199 32.017 1089 H ARG 139 H ARG 139 -2.739 15.030 29.197 1090 HA ARG 139 HA ARG 139 -0.517 13.501 28.086 1091 HB2 ARG 139 HB2 ARG 139 -1.938 12.570 26.332 1092 HB3 ARG 139 HB3 ARG 139 -2.440 12.045 27.928 1093 HG2 ARG 139 HG2 ARG 139 -3.770 14.328 26.515 1094 HG3 ARG 139 HG3 ARG 139 -4.246 12.651 26.253 1095 HD2 ARG 139 HD2 ARG 139 -4.276 14.156 28.860 1096 HD3 ARG 139 HD3 ARG 139 -5.668 13.651 27.917 1097 HE ARG 139 HE ARG 139 -3.929 11.930 29.524 1098 HH11 ARG 139 HH11 ARG 139 -6.784 12.272 27.521 1099 HH12 ARG 139 HH12 ARG 139 -7.457 10.744 28.004 1100 HH21 ARG 139 HH21 ARG 139 -4.813 9.936 30.159 1101 HH22 ARG 139 HH22 ARG 139 -6.320 9.394 29.467 1102 H LYS 140 H LYS 140 0.407 14.265 26.260 1103 HA LYS 140 HA LYS 140 -0.164 17.055 25.684 1104 HB2 LYS 140 HB2 LYS 140 2.173 15.888 26.045 1105 HB3 LYS 140 HB3 LYS 140 1.996 15.461 24.348 1106 HG2 LYS 140 HG2 LYS 140 1.738 17.848 23.805 1107 HG3 LYS 140 HG3 LYS 140 2.015 18.239 25.504 1108 HD2 LYS 140 HD2 LYS 140 4.197 16.950 25.271 1109 HD3 LYS 140 HD3 LYS 140 3.918 17.013 23.531 1110 HE2 LYS 140 HE2 LYS 140 5.302 18.852 23.999 1111 HE3 LYS 140 HE3 LYS 140 3.684 19.524 23.808 1112 HZ1 LYS 140 HZ1 LYS 140 4.864 20.427 25.746 1113 HZ2 LYS 140 HZ2 LYS 140 4.937 18.875 26.424 1114 HZ3 LYS 140 HZ3 LYS 140 3.435 19.631 26.185 1115 H ILE 141 H ILE 141 -0.699 17.814 23.610 1116 HA ILE 141 HA ILE 141 -1.435 15.751 21.662 1117 HB ILE 141 HB ILE 141 -3.455 16.309 22.931 1118 HG12 ILE 141 HG12 ILE 141 -3.505 17.396 20.110 1119 HG13 ILE 141 HG13 ILE 141 -3.633 15.697 20.554 1120 HG21 ILE 141 HG21 ILE 141 -2.919 18.562 23.617 1121 HG22 ILE 141 HG22 ILE 141 -4.465 18.535 22.764 1122 HG23 ILE 141 HG23 ILE 141 -3.013 19.113 21.944 1123 HD11 ILE 141 HD11 ILE 141 -5.599 17.853 21.301 1124 HD12 ILE 141 HD12 ILE 141 -5.730 16.139 21.698 1125 HD13 ILE 141 HD13 ILE 141 -5.804 16.662 20.016 1126 H PHE 142 H PHE 142 -0.694 16.170 19.752 1127 HA PHE 142 HA PHE 142 -0.077 18.953 19.015 1128 HB2 PHE 142 HB2 PHE 142 1.077 16.389 17.885 1129 HB3 PHE 142 HB3 PHE 142 1.491 18.009 17.361 1130 HD1 PHE 142 HD1 PHE 142 3.250 19.152 18.351 1131 HD2 PHE 142 HD2 PHE 142 1.608 15.762 20.324 1132 HE1 PHE 142 HE1 PHE 142 5.091 19.209 19.975 1133 HE2 PHE 142 HE2 PHE 142 3.443 15.816 21.953 1134 HZ PHE 142 HZ PHE 142 5.191 17.540 21.782 1135 H VAL 143 H VAL 143 -1.682 19.749 17.780 1136 HA VAL 143 HA VAL 143 -3.077 17.939 15.938 1137 HB VAL 143 HB VAL 143 -3.733 20.798 16.640 1138 HG11 VAL 143 HG11 VAL 143 -5.313 18.757 15.084 1139 HG12 VAL 143 HG12 VAL 143 -4.527 20.191 14.425 1140 HG13 VAL 143 HG13 VAL 143 -5.880 20.363 15.543 1141 HG21 VAL 143 HG21 VAL 143 -4.035 19.369 18.566 1142 HG22 VAL 143 HG22 VAL 143 -4.971 18.226 17.601 1143 HG23 VAL 143 HG23 VAL 143 -5.607 19.839 17.920 1144 H ALA 144 H ALA 144 -1.792 17.687 14.248 1145 HA ALA 144 HA ALA 144 -0.638 20.049 12.960 1146 HB1 ALA 144 HB1 ALA 144 0.875 18.187 13.381 1147 HB2 ALA 144 HB2 ALA 144 0.677 18.473 11.651 1148 HB3 ALA 144 HB3 ALA 144 -0.156 17.122 12.424 1149 H THR 145 H THR 145 -2.107 21.002 11.706 1150 HA THR 145 HA THR 145 -4.109 19.467 10.284 1151 HB THR 145 HB THR 145 -3.567 22.437 10.087 1152 HG1 THR 145 HG1 THR 145 -4.498 20.946 12.165 1153 HG21 THR 145 HG21 THR 145 -5.969 22.534 9.513 1154 HG22 THR 145 HG22 THR 145 -6.043 20.773 9.587 1155 HG23 THR 145 HG23 THR 145 -5.056 21.564 8.359 1156 H GLU 146 H GLU 146 -4.179 19.100 8.092 1157 HA GLU 146 HA GLU 146 -1.773 18.838 6.731 1158 HB2 GLU 146 HB2 GLU 146 -3.890 17.583 6.249 1159 HB3 GLU 146 HB3 GLU 146 -4.497 19.021 5.440 1160 HG2 GLU 146 HG2 GLU 146 -2.990 18.832 3.692 1161 HG3 GLU 146 HG3 GLU 146 -1.899 17.796 4.612 1162 H VAL 147 H VAL 147 -0.567 20.106 5.594 1163 HA VAL 147 HA VAL 147 -1.500 22.837 4.985 1164 HB VAL 147 HB VAL 147 0.226 22.627 6.790 1165 HG11 VAL 147 HG11 VAL 147 1.954 21.606 4.556 1166 HG12 VAL 147 HG12 VAL 147 1.399 20.693 5.959 1167 HG13 VAL 147 HG13 VAL 147 2.514 22.044 6.170 1168 HG21 VAL 147 HG21 VAL 147 1.722 24.353 5.977 1169 HG22 VAL 147 HG22 VAL 147 0.056 24.687 5.493 1170 HG23 VAL 147 HG23 VAL 147 1.203 24.039 4.321 1171 H LYS 148 H LYS 148 -0.174 23.807 3.110 1172 HA LYS 148 HA LYS 148 -0.041 21.860 0.962 1173 HB2 LYS 148 HB2 LYS 148 0.435 23.945 -0.413 1174 HB3 LYS 148 HB3 LYS 148 -1.147 23.846 0.348 1175 HG2 LYS 148 HG2 LYS 148 -0.671 25.498 1.870 1176 HG3 LYS 148 HG3 LYS 148 1.070 25.228 1.775 1177 HD2 LYS 148 HD2 LYS 148 -0.672 26.500 -0.320 1178 HD3 LYS 148 HD3 LYS 148 0.507 27.313 0.712 1179 HE2 LYS 148 HE2 LYS 148 1.085 25.217 -1.377 1180 HE3 LYS 148 HE3 LYS 148 1.457 26.937 -1.490 1181 HZ1 LYS 148 HZ1 LYS 148 2.960 26.680 0.405 1182 HZ2 LYS 148 HZ2 LYS 148 3.413 25.676 -0.885 1183 HZ3 LYS 148 HZ3 LYS 148 2.620 25.018 0.466 1184 H1 JPT 201 H7 UNK 201 -2.229 7.833 28.446 1185 H11 JPT 201 H11 UNK 201 -1.852 5.282 28.804 1186 H12 JPT 201 H12 UNK 201 -0.028 4.709 24.582 1187 H13 JPT 201 H13 UNK 201 -1.177 7.028 24.900 1188 H62 JPT 201 H62 UNK 201 -5.219 6.632 23.775 1189 H61 JPT 201 H61 UNK 201 -6.913 6.811 24.278 1190 H3 JPT 201 H3 UNK 201 -6.278 8.448 22.722 1191 H4 JPT 201 H4 UNK 201 -5.052 7.423 30.064 1192 H2 JPT 201 H2 UNK 201 -7.513 7.692 26.403 Start of MODEL 7 1 HA MET 1 HA MET 1 -2.646 1.073 -2.877 2 HB2 MET 1 HB2 MET 1 -3.805 2.552 -0.520 3 HB3 MET 1 HB3 MET 1 -4.375 2.831 -2.159 4 HG2 MET 1 HG2 MET 1 -5.837 1.281 -1.078 5 HG3 MET 1 HG3 MET 1 -4.936 0.432 -2.332 6 HE1 MET 1 HE1 MET 1 -6.553 -1.090 -0.056 7 HE2 MET 1 HE2 MET 1 -5.390 -2.349 0.365 8 HE3 MET 1 HE3 MET 1 -5.625 -1.897 -1.322 9 H GLN 2 H GLN 2 -2.177 2.502 -4.434 10 HA GLN 2 HA GLN 2 -0.324 4.623 -3.763 11 HB2 GLN 2 HB2 GLN 2 -1.289 3.676 -6.463 12 HB3 GLN 2 HB3 GLN 2 -0.045 4.888 -6.207 13 HG2 GLN 2 HG2 GLN 2 1.290 3.104 -6.556 14 HG3 GLN 2 HG3 GLN 2 1.058 2.914 -4.821 15 HE21 GLN 2 HE21 GLN 2 1.672 0.965 -6.943 16 HE22 GLN 2 HE22 GLN 2 0.439 -0.251 -6.837 17 H ALA 3 H ALA 3 -3.560 4.251 -4.235 18 HA ALA 3 HA ALA 3 -3.980 7.140 -4.394 19 HB1 ALA 3 HB1 ALA 3 -4.178 6.325 -6.698 20 HB2 ALA 3 HB2 ALA 3 -5.728 6.906 -6.087 21 HB3 ALA 3 HB3 ALA 3 -5.411 5.172 -6.186 22 H LYS 4 H LYS 4 -5.708 7.844 -3.211 23 HA LYS 4 HA LYS 4 -6.856 7.797 -1.250 24 HB2 LYS 4 HB2 LYS 4 -8.280 6.161 -3.228 25 HB3 LYS 4 HB3 LYS 4 -8.862 6.037 -1.575 26 HG2 LYS 4 HG2 LYS 4 -9.102 8.500 -1.524 27 HG3 LYS 4 HG3 LYS 4 -8.617 8.552 -3.219 28 HD2 LYS 4 HD2 LYS 4 -11.036 8.651 -3.026 29 HD3 LYS 4 HD3 LYS 4 -10.545 7.142 -3.799 30 HE2 LYS 4 HE2 LYS 4 -12.254 6.610 -2.230 31 HE3 LYS 4 HE3 LYS 4 -10.728 6.041 -1.556 32 HZ1 LYS 4 HZ1 LYS 4 -12.320 8.405 -0.749 33 HZ2 LYS 4 HZ2 LYS 4 -10.691 8.244 -0.308 34 HZ3 LYS 4 HZ3 LYS 4 -11.828 7.092 0.203 35 HA PRO 5 HA PRO 5 -4.730 4.143 0.572 36 HB2 PRO 5 HB2 PRO 5 -3.791 5.518 2.728 37 HB3 PRO 5 HB3 PRO 5 -2.938 5.423 1.184 38 HG2 PRO 5 HG2 PRO 5 -4.663 7.617 2.263 39 HG3 PRO 5 HG3 PRO 5 -3.126 7.725 1.383 40 HD2 PRO 5 HD2 PRO 5 -5.522 8.139 0.192 41 HD3 PRO 5 HD3 PRO 5 -4.134 7.438 -0.667 42 H GLN 6 H GLN 6 -5.423 2.866 2.245 43 HA GLN 6 HA GLN 6 -7.560 3.889 3.970 44 HB2 GLN 6 HB2 GLN 6 -8.906 1.843 3.469 45 HB3 GLN 6 HB3 GLN 6 -8.734 2.925 2.092 46 HG2 GLN 6 HG2 GLN 6 -6.981 1.492 1.178 47 HG3 GLN 6 HG3 GLN 6 -7.141 0.412 2.561 48 HE21 GLN 6 HE21 GLN 6 -8.637 1.570 -0.363 49 HE22 GLN 6 HE22 GLN 6 -9.800 0.299 -0.503 50 H ILE 7 H ILE 7 -7.997 2.568 5.797 51 HA ILE 7 HA ILE 7 -5.682 0.946 6.602 52 HB ILE 7 HB ILE 7 -7.732 2.416 8.266 53 HG12 ILE 7 HG12 ILE 7 -4.791 2.950 8.279 54 HG13 ILE 7 HG13 ILE 7 -5.777 3.601 6.973 55 HG21 ILE 7 HG21 ILE 7 -6.344 1.782 10.195 56 HG22 ILE 7 HG22 ILE 7 -5.363 0.770 9.132 57 HG23 ILE 7 HG23 ILE 7 -7.064 0.385 9.396 58 HD11 ILE 7 HD11 ILE 7 -5.431 5.185 8.820 59 HD12 ILE 7 HD12 ILE 7 -6.286 4.078 9.896 60 HD13 ILE 7 HD13 ILE 7 -7.130 4.815 8.532 61 HA PRO 8 HA PRO 8 -8.732 -2.399 6.400 62 HB2 PRO 8 HB2 PRO 8 -6.884 -4.388 6.534 63 HB3 PRO 8 HB3 PRO 8 -7.288 -3.554 5.031 64 HG2 PRO 8 HG2 PRO 8 -4.949 -3.174 6.845 65 HG3 PRO 8 HG3 PRO 8 -5.016 -3.132 5.075 66 HD2 PRO 8 HD2 PRO 8 -4.937 -0.895 6.652 67 HD3 PRO 8 HD3 PRO 8 -5.659 -0.935 5.032 68 H LYS 9 H LYS 9 -9.224 -4.176 7.897 69 HA LYS 9 HA LYS 9 -8.966 -3.300 10.592 70 HB2 LYS 9 HB2 LYS 9 -10.248 -5.399 11.119 71 HB3 LYS 9 HB3 LYS 9 -11.019 -4.308 9.983 72 HG2 LYS 9 HG2 LYS 9 -11.398 -6.415 9.091 73 HG3 LYS 9 HG3 LYS 9 -10.033 -5.808 8.155 74 HD2 LYS 9 HD2 LYS 9 -9.642 -8.115 8.753 75 HD3 LYS 9 HD3 LYS 9 -8.510 -7.085 9.632 76 HE2 LYS 9 HE2 LYS 9 -9.926 -7.221 11.621 77 HE3 LYS 9 HE3 LYS 9 -11.073 -8.233 10.743 78 HZ1 LYS 9 HZ1 LYS 9 -9.691 -9.650 12.030 79 HZ2 LYS 9 HZ2 LYS 9 -8.276 -8.902 11.476 80 HZ3 LYS 9 HZ3 LYS 9 -9.211 -9.835 10.410 81 H ASP 10 H ASP 10 -6.827 -4.974 8.728 82 HA ASP 10 HA ASP 10 -5.757 -6.797 10.623 83 HB2 ASP 10 HB2 ASP 10 -5.188 -7.039 8.277 84 HB3 ASP 10 HB3 ASP 10 -4.476 -5.426 8.246 85 H LYS 11 H LYS 11 -4.022 -6.552 12.046 86 HA LYS 11 HA LYS 11 -3.285 -3.759 12.619 87 HB2 LYS 11 HB2 LYS 11 -3.072 -4.439 14.989 88 HB3 LYS 11 HB3 LYS 11 -4.707 -4.624 14.365 89 HG2 LYS 11 HG2 LYS 11 -4.279 -7.020 14.031 90 HG3 LYS 11 HG3 LYS 11 -2.679 -6.808 14.740 91 HD2 LYS 11 HD2 LYS 11 -3.712 -6.039 16.826 92 HD3 LYS 11 HD3 LYS 11 -5.310 -6.271 16.117 93 HE2 LYS 11 HE2 LYS 11 -4.811 -8.163 17.498 94 HE3 LYS 11 HE3 LYS 11 -4.759 -8.675 15.811 95 HZ1 LYS 11 HZ1 LYS 11 -2.907 -9.601 16.983 96 HZ2 LYS 11 HZ2 LYS 11 -2.434 -8.081 17.566 97 HZ3 LYS 11 HZ3 LYS 11 -2.316 -8.429 15.908 98 H SER 12 H SER 12 -1.998 -6.219 11.115 99 HA SER 12 HA SER 12 0.474 -6.421 12.660 100 HB2 SER 12 HB2 SER 12 -0.363 -7.905 10.159 101 HB3 SER 12 HB3 SER 12 1.029 -8.274 11.179 102 HG SER 12 HG SER 12 -1.142 -9.437 11.464 103 H LYS 13 H LYS 13 -0.578 -5.632 9.351 104 HA LYS 13 HA LYS 13 2.058 -4.819 8.547 105 HB2 LYS 13 HB2 LYS 13 0.869 -4.057 6.448 106 HB3 LYS 13 HB3 LYS 13 0.704 -5.760 6.843 107 HG2 LYS 13 HG2 LYS 13 -1.425 -5.083 6.148 108 HG3 LYS 13 HG3 LYS 13 -1.523 -5.149 7.902 109 HD2 LYS 13 HD2 LYS 13 -0.739 -2.551 7.413 110 HD3 LYS 13 HD3 LYS 13 -1.861 -2.894 6.094 111 HE2 LYS 13 HE2 LYS 13 -3.002 -1.940 8.043 112 HE3 LYS 13 HE3 LYS 13 -3.565 -3.572 7.683 113 HZ1 LYS 13 HZ1 LYS 13 -1.535 -2.915 9.754 114 HZ2 LYS 13 HZ2 LYS 13 -2.235 -4.433 9.458 115 HZ3 LYS 13 HZ3 LYS 13 -3.186 -3.171 10.072 116 H VAL 14 H VAL 14 2.595 -2.724 7.674 117 HA VAL 14 HA VAL 14 1.436 -0.508 9.208 118 HB VAL 14 HB VAL 14 3.895 -0.784 9.209 119 HG11 VAL 14 HG11 VAL 14 3.700 -0.172 6.266 120 HG12 VAL 14 HG12 VAL 14 4.202 -1.702 6.986 121 HG13 VAL 14 HG13 VAL 14 5.191 -0.258 7.204 122 HG21 VAL 14 HG21 VAL 14 2.935 1.423 9.563 123 HG22 VAL 14 HG22 VAL 14 2.959 1.723 7.824 124 HG23 VAL 14 HG23 VAL 14 4.474 1.531 8.708 125 H ALA 15 H ALA 15 0.735 1.428 8.164 126 HA ALA 15 HA ALA 15 0.074 1.105 5.304 127 HB1 ALA 15 HB1 ALA 15 -1.637 2.408 7.421 128 HB2 ALA 15 HB2 ALA 15 -1.927 0.831 6.685 129 HB3 ALA 15 HB3 ALA 15 -2.024 2.292 5.702 130 H GLY 16 H GLY 16 1.091 3.230 7.880 131 HA2 GLY 16 HA2 GLY 16 1.767 5.257 5.863 132 HA3 GLY 16 HA3 GLY 16 0.854 5.733 7.289 133 H TYR 17 H TYR 17 3.257 6.907 6.710 134 HA TYR 17 HA TYR 17 4.971 5.865 8.868 135 HB2 TYR 17 HB2 TYR 17 5.967 7.099 6.288 136 HB3 TYR 17 HB3 TYR 17 6.955 6.448 7.589 137 HD1 TYR 17 HD1 TYR 17 4.932 5.663 4.673 138 HD2 TYR 17 HD2 TYR 17 7.095 4.013 7.939 139 HE1 TYR 17 HE1 TYR 17 4.905 3.468 3.571 140 HE2 TYR 17 HE2 TYR 17 7.081 1.813 6.847 141 HH TYR 17 HH TYR 17 6.158 1.395 3.577 142 H ILE 18 H ILE 18 5.685 7.376 10.287 143 HA ILE 18 HA ILE 18 4.809 10.129 9.775 144 HB ILE 18 HB ILE 18 3.779 9.125 11.747 145 HG12 ILE 18 HG12 ILE 18 4.474 10.829 13.438 146 HG13 ILE 18 HG13 ILE 18 5.806 11.270 12.374 147 HG21 ILE 18 HG21 ILE 18 5.433 7.495 12.362 148 HG22 ILE 18 HG22 ILE 18 5.129 8.561 13.733 149 HG23 ILE 18 HG23 ILE 18 6.587 8.768 12.760 150 HD11 ILE 18 HD11 ILE 18 3.927 12.802 12.152 151 HD12 ILE 18 HD12 ILE 18 2.886 11.456 11.686 152 HD13 ILE 18 HD13 ILE 18 4.231 11.929 10.650 153 H GLU 19 H GLU 19 6.337 11.460 9.175 154 HA GLU 19 HA GLU 19 9.034 11.099 10.273 155 HB2 GLU 19 HB2 GLU 19 8.343 11.969 7.464 156 HB3 GLU 19 HB3 GLU 19 9.966 11.871 8.138 157 HG2 GLU 19 HG2 GLU 19 9.544 9.425 8.525 158 HG3 GLU 19 HG3 GLU 19 8.066 9.609 7.582 159 H ILE 20 H ILE 20 9.644 12.702 11.426 160 HA ILE 20 HA ILE 20 8.872 15.444 10.702 161 HB ILE 20 HB ILE 20 8.979 14.403 13.545 162 HG12 ILE 20 HG12 ILE 20 6.529 15.161 11.935 163 HG13 ILE 20 HG13 ILE 20 7.033 13.505 12.255 164 HG21 ILE 20 HG21 ILE 20 8.097 17.054 12.412 165 HG22 ILE 20 HG22 ILE 20 9.574 16.746 13.325 166 HG23 ILE 20 HG23 ILE 20 8.003 16.582 14.108 167 HD11 ILE 20 HD11 ILE 20 6.752 13.878 14.642 168 HD12 ILE 20 HD12 ILE 20 5.260 14.203 13.759 169 HD13 ILE 20 HD13 ILE 20 6.259 15.541 14.329 170 HA PRO 21 HA PRO 21 13.436 15.091 10.913 171 HB2 PRO 21 HB2 PRO 21 13.873 17.411 9.514 172 HB3 PRO 21 HB3 PRO 21 13.604 15.837 8.757 173 HG2 PRO 21 HG2 PRO 21 11.675 18.078 9.213 174 HG3 PRO 21 HG3 PRO 21 11.872 17.042 7.787 175 HD2 PRO 21 HD2 PRO 21 9.896 16.646 9.568 176 HD3 PRO 21 HD3 PRO 21 10.695 15.291 8.741 177 H ASP 22 H ASP 22 11.299 17.658 11.820 178 HA ASP 22 HA ASP 22 13.177 19.340 13.114 179 HB2 ASP 22 HB2 ASP 22 10.903 20.043 12.380 180 HB3 ASP 22 HB3 ASP 22 10.214 19.044 13.649 181 H ALA 23 H ALA 23 11.328 16.532 14.106 182 HA ALA 23 HA ALA 23 12.448 16.751 16.816 183 HB1 ALA 23 HB1 ALA 23 10.014 16.543 16.691 184 HB2 ALA 23 HB2 ALA 23 10.734 15.132 17.468 185 HB3 ALA 23 HB3 ALA 23 10.185 15.036 15.793 186 H ASP 24 H ASP 24 13.295 15.520 13.984 187 HA ASP 24 HA ASP 24 14.524 13.810 13.164 188 HB2 ASP 24 HB2 ASP 24 16.036 14.633 15.015 189 HB3 ASP 24 HB3 ASP 24 15.402 13.333 16.015 190 H ILE 25 H ILE 25 11.860 13.294 13.803 191 HA ILE 25 HA ILE 25 11.829 10.513 14.747 192 HB ILE 25 HB ILE 25 9.677 12.588 14.381 193 HG12 ILE 25 HG12 ILE 25 10.556 10.949 16.770 194 HG13 ILE 25 HG13 ILE 25 10.984 12.632 16.470 195 HG21 ILE 25 HG21 ILE 25 8.817 10.487 13.499 196 HG22 ILE 25 HG22 ILE 25 8.032 10.885 15.030 197 HG23 ILE 25 HG23 ILE 25 9.295 9.654 14.978 198 HD11 ILE 25 HD11 ILE 25 8.197 11.584 16.901 199 HD12 ILE 25 HD12 ILE 25 8.653 13.270 16.656 200 HD13 ILE 25 HD13 ILE 25 9.187 12.413 18.102 201 H LYS 26 H LYS 26 11.807 8.939 13.234 202 HA LYS 26 HA LYS 26 10.292 9.331 10.773 203 HB2 LYS 26 HB2 LYS 26 13.147 8.335 10.674 204 HB3 LYS 26 HB3 LYS 26 12.083 8.654 9.315 205 HG2 LYS 26 HG2 LYS 26 12.851 10.723 9.182 206 HG3 LYS 26 HG3 LYS 26 12.316 11.039 10.834 207 HD2 LYS 26 HD2 LYS 26 14.978 9.922 9.962 208 HD3 LYS 26 HD3 LYS 26 14.668 11.497 10.692 209 HE2 LYS 26 HE2 LYS 26 13.922 10.387 12.746 210 HE3 LYS 26 HE3 LYS 26 14.260 8.820 12.016 211 HZ1 LYS 26 HZ1 LYS 26 16.235 10.947 12.646 212 HZ2 LYS 26 HZ2 LYS 26 16.596 9.517 11.809 213 HZ3 LYS 26 HZ3 LYS 26 16.072 9.444 13.418 214 H GLU 27 H GLU 27 8.872 7.754 11.643 215 HA GLU 27 HA GLU 27 9.862 5.009 11.464 216 HB2 GLU 27 HB2 GLU 27 8.768 6.283 13.950 217 HB3 GLU 27 HB3 GLU 27 8.512 4.570 13.660 218 HG2 GLU 27 HG2 GLU 27 11.218 5.884 13.714 219 HG3 GLU 27 HG3 GLU 27 10.467 5.100 15.101 220 HA PRO 28 HA PRO 28 5.865 4.236 9.733 221 HB2 PRO 28 HB2 PRO 28 5.411 1.666 10.403 222 HB3 PRO 28 HB3 PRO 28 6.669 2.130 9.252 223 HG2 PRO 28 HG2 PRO 28 6.921 1.480 12.167 224 HG3 PRO 28 HG3 PRO 28 7.919 0.922 10.809 225 HD2 PRO 28 HD2 PRO 28 8.678 2.953 12.426 226 HD3 PRO 28 HD3 PRO 28 9.102 2.896 10.703 227 H VAL 29 H VAL 29 3.657 3.945 10.139 228 HA VAL 29 HA VAL 29 2.855 4.076 12.977 229 HB VAL 29 HB VAL 29 1.423 5.109 10.518 230 HG11 VAL 29 HG11 VAL 29 0.587 5.188 13.415 231 HG12 VAL 29 HG12 VAL 29 -0.195 4.288 12.114 232 HG13 VAL 29 HG13 VAL 29 -0.213 6.052 12.102 233 HG21 VAL 29 HG21 VAL 29 3.299 6.501 11.154 234 HG22 VAL 29 HG22 VAL 29 2.722 6.560 12.819 235 HG23 VAL 29 HG23 VAL 29 1.783 7.320 11.532 236 H TYR 30 H TYR 30 1.742 2.394 13.748 237 HA TYR 30 HA TYR 30 1.032 0.287 11.868 238 HB2 TYR 30 HB2 TYR 30 1.226 0.260 14.880 239 HB3 TYR 30 HB3 TYR 30 0.838 -1.140 13.885 240 HD1 TYR 30 HD1 TYR 30 2.617 -1.481 11.873 241 HD2 TYR 30 HD2 TYR 30 3.404 0.425 15.593 242 HE1 TYR 30 HE1 TYR 30 5.010 -1.969 11.604 243 HE2 TYR 30 HE2 TYR 30 5.801 -0.050 15.337 244 HH TYR 30 HH TYR 30 7.164 -1.127 12.410 245 HA PRO 31 HA PRO 31 -3.236 1.568 12.358 246 HB2 PRO 31 HB2 PRO 31 -3.794 -0.196 10.136 247 HB3 PRO 31 HB3 PRO 31 -3.832 1.569 10.181 248 HG2 PRO 31 HG2 PRO 31 -1.991 0.130 8.766 249 HG3 PRO 31 HG3 PRO 31 -1.699 1.762 9.395 250 HD2 PRO 31 HD2 PRO 31 -0.845 -0.881 10.508 251 HD3 PRO 31 HD3 PRO 31 0.061 0.646 10.403 252 H GLY 32 H GLY 32 -4.671 0.635 13.671 253 HA2 GLY 32 HA2 GLY 32 -5.555 -2.023 13.451 254 HA3 GLY 32 HA3 GLY 32 -4.343 -1.936 14.721 255 HA PRO 33 HA PRO 33 -8.530 -0.766 16.440 256 HB2 PRO 33 HB2 PRO 33 -8.259 -2.975 18.288 257 HB3 PRO 33 HB3 PRO 33 -9.470 -2.711 17.042 258 HG2 PRO 33 HG2 PRO 33 -7.609 -4.691 16.918 259 HG3 PRO 33 HG3 PRO 33 -8.338 -3.945 15.484 260 HD2 PRO 33 HD2 PRO 33 -5.682 -3.399 16.763 261 HD3 PRO 33 HD3 PRO 33 -6.092 -3.546 15.039 262 H ALA 34 H ALA 34 -5.476 -0.590 17.323 263 HA ALA 34 HA ALA 34 -4.303 0.511 18.931 264 HB1 ALA 34 HB1 ALA 34 -6.991 1.278 20.073 265 HB2 ALA 34 HB2 ALA 34 -6.124 2.173 18.827 266 HB3 ALA 34 HB3 ALA 34 -5.439 2.027 20.446 267 H THR 35 H THR 35 -5.093 -2.250 19.177 268 HA THR 35 HA THR 35 -5.786 -2.885 21.841 269 HB THR 35 HB THR 35 -4.735 -5.171 21.078 270 HG1 THR 35 HG1 THR 35 -3.687 -4.723 19.245 271 HG21 THR 35 HG21 THR 35 -7.124 -4.807 21.336 272 HG22 THR 35 HG22 THR 35 -6.809 -5.696 19.846 273 HG23 THR 35 HG23 THR 35 -7.186 -3.974 19.782 274 HA PRO 36 HA PRO 36 -2.338 -2.592 24.439 275 HB2 PRO 36 HB2 PRO 36 -2.241 -5.576 24.620 276 HB3 PRO 36 HB3 PRO 36 -2.224 -4.368 25.911 277 HG2 PRO 36 HG2 PRO 36 -4.450 -5.696 25.360 278 HG3 PRO 36 HG3 PRO 36 -4.505 -3.963 25.742 279 HD2 PRO 36 HD2 PRO 36 -4.795 -5.335 23.112 280 HD3 PRO 36 HD3 PRO 36 -5.568 -3.852 23.704 281 H GLU 37 H GLU 37 -1.805 -5.315 22.159 282 HA GLU 37 HA GLU 37 1.027 -5.195 22.536 283 HB2 GLU 37 HB2 GLU 37 0.786 -6.655 20.255 284 HB3 GLU 37 HB3 GLU 37 0.682 -7.312 21.879 285 HG2 GLU 37 HG2 GLU 37 -1.113 -8.203 20.614 286 HG3 GLU 37 HG3 GLU 37 -1.789 -7.048 21.756 287 H GLN 38 H GLN 38 -1.204 -3.787 20.246 288 HA GLN 38 HA GLN 38 0.745 -2.916 18.371 289 HB2 GLN 38 HB2 GLN 38 -1.948 -1.689 18.999 290 HB3 GLN 38 HB3 GLN 38 -0.983 -1.387 17.556 291 HG2 GLN 38 HG2 GLN 38 -2.198 -4.017 18.367 292 HG3 GLN 38 HG3 GLN 38 -2.767 -2.949 17.083 293 HE21 GLN 38 HE21 GLN 38 -1.688 -5.763 17.164 294 HE22 GLN 38 HE22 GLN 38 -0.473 -5.772 15.930 295 H LEU 39 H LEU 39 -0.570 -1.548 21.315 296 HA LEU 39 HA LEU 39 0.886 0.921 21.005 297 HB2 LEU 39 HB2 LEU 39 -0.815 -0.219 23.203 298 HB3 LEU 39 HB3 LEU 39 0.084 1.271 23.411 299 HG LEU 39 HG LEU 39 -2.008 0.816 21.281 300 HD11 LEU 39 HD11 LEU 39 -3.408 2.312 22.604 301 HD12 LEU 39 HD12 LEU 39 -2.172 2.368 23.861 302 HD13 LEU 39 HD13 LEU 39 -3.003 0.854 23.508 303 HD21 LEU 39 HD21 LEU 39 -0.528 3.298 22.142 304 HD22 LEU 39 HD22 LEU 39 -1.837 3.238 20.963 305 HD23 LEU 39 HD23 LEU 39 -0.309 2.427 20.625 306 H ASN 40 H ASN 40 1.834 -2.119 21.769 307 HA ASN 40 HA ASN 40 3.942 -1.153 23.575 308 HB2 ASN 40 HB2 ASN 40 2.738 -3.868 23.170 309 HB3 ASN 40 HB3 ASN 40 4.359 -3.710 23.842 310 HD21 ASN 40 HD21 ASN 40 1.979 -4.757 25.094 311 HD22 ASN 40 HD22 ASN 40 1.689 -3.785 26.493 312 H ARG 41 H ARG 41 3.344 -2.045 20.378 313 HA ARG 41 HA ARG 41 6.130 -2.785 19.901 314 HB2 ARG 41 HB2 ARG 41 5.437 -3.321 17.629 315 HB3 ARG 41 HB3 ARG 41 4.387 -4.118 18.791 316 HG2 ARG 41 HG2 ARG 41 2.740 -2.273 18.450 317 HG3 ARG 41 HG3 ARG 41 3.770 -1.675 17.148 318 HD2 ARG 41 HD2 ARG 41 2.542 -4.425 17.269 319 HD3 ARG 41 HD3 ARG 41 1.897 -3.069 16.347 320 HE ARG 41 HE ARG 41 4.643 -3.837 15.752 321 HH11 ARG 41 HH11 ARG 41 1.253 -3.990 14.885 322 HH12 ARG 41 HH12 ARG 41 1.562 -4.558 13.274 323 HH21 ARG 41 HH21 ARG 41 5.055 -4.594 13.633 324 HH22 ARG 41 HH22 ARG 41 3.724 -4.905 12.558 325 H GLY 42 H GLY 42 3.941 -0.127 19.556 326 HA2 GLY 42 HA2 GLY 42 5.929 1.779 19.224 327 HA3 GLY 42 HA3 GLY 42 5.379 1.345 17.612 328 H VAL 43 H VAL 43 3.924 2.718 16.849 329 HA VAL 43 HA VAL 43 1.961 3.862 18.719 330 HB VAL 43 HB VAL 43 3.671 5.520 17.920 331 HG11 VAL 43 HG11 VAL 43 3.464 6.373 15.614 332 HG12 VAL 43 HG12 VAL 43 2.372 5.039 15.239 333 HG13 VAL 43 HG13 VAL 43 4.049 4.710 15.674 334 HG21 VAL 43 HG21 VAL 43 2.036 7.258 17.386 335 HG22 VAL 43 HG22 VAL 43 1.491 6.227 18.709 336 HG23 VAL 43 HG23 VAL 43 0.820 6.016 17.092 337 H SER 44 H SER 44 -0.155 4.064 17.962 338 HA SER 44 HA SER 44 -0.722 2.741 15.404 339 HB2 SER 44 HB2 SER 44 -2.610 1.537 16.550 340 HB3 SER 44 HB3 SER 44 -1.006 1.026 17.077 341 HG SER 44 HG SER 44 -2.027 3.103 18.546 342 H PHE 45 H PHE 45 -3.449 2.825 15.451 343 HA PHE 45 HA PHE 45 -3.976 5.698 15.447 344 HB2 PHE 45 HB2 PHE 45 -5.324 3.350 14.137 345 HB3 PHE 45 HB3 PHE 45 -6.126 4.911 14.252 346 HD1 PHE 45 HD1 PHE 45 -4.295 2.923 12.133 347 HD2 PHE 45 HD2 PHE 45 -4.442 6.925 13.564 348 HE1 PHE 45 HE1 PHE 45 -3.112 3.686 10.113 349 HE2 PHE 45 HE2 PHE 45 -3.255 7.694 11.554 350 HZ PHE 45 HZ PHE 45 -2.588 6.078 9.827 351 H ALA 46 H ALA 46 -6.188 6.385 16.155 352 HA ALA 46 HA ALA 46 -6.574 5.740 18.861 353 HB1 ALA 46 HB1 ALA 46 -8.541 7.153 18.750 354 HB2 ALA 46 HB2 ALA 46 -8.522 7.079 16.989 355 HB3 ALA 46 HB3 ALA 46 -7.214 7.888 17.851 356 H GLU 47 H GLU 47 -8.273 4.675 15.955 357 HA GLU 47 HA GLU 47 -9.291 2.391 17.431 358 HB2 GLU 47 HB2 GLU 47 -11.574 2.685 16.528 359 HB3 GLU 47 HB3 GLU 47 -11.122 3.971 17.638 360 HG2 GLU 47 HG2 GLU 47 -10.707 5.470 15.790 361 HG3 GLU 47 HG3 GLU 47 -11.034 4.178 14.635 362 H GLU 48 H GLU 48 -10.385 0.842 15.871 363 HA GLU 48 HA GLU 48 -8.556 0.243 13.790 364 HB2 GLU 48 HB2 GLU 48 -9.843 -1.454 15.069 365 HB3 GLU 48 HB3 GLU 48 -11.315 -0.898 14.285 366 HG2 GLU 48 HG2 GLU 48 -10.187 -1.482 12.089 367 HG3 GLU 48 HG3 GLU 48 -8.980 -2.326 13.059 368 H ASN 49 H ASN 49 -11.615 1.911 13.888 369 HA ASN 49 HA ASN 49 -11.988 1.733 11.018 370 HB2 ASN 49 HB2 ASN 49 -13.650 2.824 13.266 371 HB3 ASN 49 HB3 ASN 49 -14.040 3.198 11.590 372 HD21 ASN 49 HD21 ASN 49 -14.772 1.576 10.236 373 HD22 ASN 49 HD22 ASN 49 -15.308 0.041 10.836 374 H GLU 50 H GLU 50 -9.807 3.397 12.436 375 HA GLU 50 HA GLU 50 -10.312 6.081 11.743 376 HB2 GLU 50 HB2 GLU 50 -7.891 4.468 12.350 377 HB3 GLU 50 HB3 GLU 50 -7.659 5.986 11.501 378 HG2 GLU 50 HG2 GLU 50 -9.092 5.665 14.119 379 HG3 GLU 50 HG3 GLU 50 -7.435 6.228 13.920 380 H SER 51 H SER 51 -9.251 7.251 9.966 381 HA SER 51 HA SER 51 -9.026 5.620 7.545 382 HB2 SER 51 HB2 SER 51 -10.980 7.910 7.850 383 HB3 SER 51 HB3 SER 51 -10.633 7.064 6.342 384 HG SER 51 HG SER 51 -11.311 5.450 8.492 385 H LEU 52 H LEU 52 -7.332 6.199 6.434 386 HA LEU 52 HA LEU 52 -5.793 8.518 6.922 387 HB2 LEU 52 HB2 LEU 52 -5.794 6.746 4.474 388 HB3 LEU 52 HB3 LEU 52 -4.497 7.810 4.988 389 HG LEU 52 HG LEU 52 -5.450 5.473 6.634 390 HD11 LEU 52 HD11 LEU 52 -4.642 4.625 4.509 391 HD12 LEU 52 HD12 LEU 52 -3.493 4.261 5.797 392 HD13 LEU 52 HD13 LEU 52 -3.167 5.579 4.670 393 HD21 LEU 52 HD21 LEU 52 -3.278 5.736 7.730 394 HD22 LEU 52 HD22 LEU 52 -4.265 7.190 7.873 395 HD23 LEU 52 HD23 LEU 52 -2.937 7.135 6.713 396 H ASP 53 H ASP 53 -8.433 7.802 4.838 397 HA ASP 53 HA ASP 53 -8.080 10.011 3.039 398 HB2 ASP 53 HB2 ASP 53 -9.157 7.862 2.398 399 HB3 ASP 53 HB3 ASP 53 -10.476 8.217 3.505 400 H ASP 54 H ASP 54 -9.406 9.587 6.146 401 HA ASP 54 HA ASP 54 -11.616 11.382 5.952 402 HB2 ASP 54 HB2 ASP 54 -11.104 9.429 7.654 403 HB3 ASP 54 HB3 ASP 54 -10.339 10.721 8.572 404 H GLN 55 H GLN 55 -11.818 13.286 7.424 405 HA GLN 55 HA GLN 55 -9.728 15.157 6.777 406 HB2 GLN 55 HB2 GLN 55 -12.093 15.809 6.677 407 HB3 GLN 55 HB3 GLN 55 -12.278 15.471 8.390 408 HG2 GLN 55 HG2 GLN 55 -10.169 17.404 7.787 409 HG3 GLN 55 HG3 GLN 55 -11.782 17.919 7.293 410 HE21 GLN 55 HE21 GLN 55 -9.699 17.175 9.954 411 HE22 GLN 55 HE22 GLN 55 -10.741 17.763 11.201 412 H ASN 56 H ASN 56 -10.782 13.376 9.589 413 HA ASN 56 HA ASN 56 -8.598 14.629 11.104 414 HB2 ASN 56 HB2 ASN 56 -9.811 13.782 13.163 415 HB3 ASN 56 HB3 ASN 56 -10.586 15.094 12.293 416 HD21 ASN 56 HD21 ASN 56 -10.654 11.655 11.405 417 HD22 ASN 56 HD22 ASN 56 -12.361 11.476 11.629 418 H ILE 57 H ILE 57 -6.968 13.420 11.821 419 HA ILE 57 HA ILE 57 -7.268 10.501 11.777 420 HB ILE 57 HB ILE 57 -4.881 12.018 10.715 421 HG12 ILE 57 HG12 ILE 57 -6.919 10.269 9.319 422 HG13 ILE 57 HG13 ILE 57 -6.794 12.020 9.181 423 HG21 ILE 57 HG21 ILE 57 -3.993 9.794 10.138 424 HG22 ILE 57 HG22 ILE 57 -5.362 9.048 10.963 425 HG23 ILE 57 HG23 ILE 57 -4.194 9.999 11.879 426 HD11 ILE 57 HD11 ILE 57 -4.629 11.799 8.130 427 HD12 ILE 57 HD12 ILE 57 -5.851 10.874 7.256 428 HD13 ILE 57 HD13 ILE 57 -4.706 10.048 8.312 429 H SER 58 H SER 58 -6.765 9.639 13.648 430 HA SER 58 HA SER 58 -5.254 11.305 15.557 431 HB2 SER 58 HB2 SER 58 -7.226 9.104 16.201 432 HB3 SER 58 HB3 SER 58 -6.537 10.285 17.317 433 HG SER 58 HG SER 58 -8.376 10.723 15.210 434 H ILE 59 H ILE 59 -3.208 10.640 15.623 435 HA ILE 59 HA ILE 59 -2.593 7.780 15.533 436 HB ILE 59 HB ILE 59 -0.656 10.103 15.672 437 HG12 ILE 59 HG12 ILE 59 -1.630 8.567 13.248 438 HG13 ILE 59 HG13 ILE 59 -2.025 10.241 13.628 439 HG21 ILE 59 HG21 ILE 59 -0.268 7.212 14.904 440 HG22 ILE 59 HG22 ILE 59 0.270 7.970 16.403 441 HG23 ILE 59 HG23 ILE 59 0.973 8.463 14.862 442 HD11 ILE 59 HD11 ILE 59 0.333 10.842 13.402 443 HD12 ILE 59 HD12 ILE 59 -0.304 10.113 11.926 444 HD13 ILE 59 HD13 ILE 59 0.718 9.166 13.008 445 H ALA 60 H ALA 60 -2.597 6.729 17.396 446 HA ALA 60 HA ALA 60 -2.255 8.259 19.885 447 HB1 ALA 60 HB1 ALA 60 -3.644 5.622 19.448 448 HB2 ALA 60 HB2 ALA 60 -4.436 7.190 19.601 449 HB3 ALA 60 HB3 ALA 60 -3.551 6.512 20.967 450 H GLY 61 H GLY 61 -0.453 7.956 20.997 451 HA2 GLY 61 HA2 GLY 61 0.630 5.257 21.224 452 HA3 GLY 61 HA3 GLY 61 1.704 6.483 20.564 453 H HIS 62 H HIS 62 2.631 5.344 22.721 454 HA HIS 62 HA HIS 62 2.446 7.473 24.706 455 HB2 HIS 62 HB2 HIS 62 2.261 5.981 26.586 456 HB3 HIS 62 HB3 HIS 62 0.941 5.618 25.485 457 HD1 HIS 62 HD1 HIS 62 4.232 4.216 26.701 458 HD2 HIS 62 HD2 HIS 62 0.898 3.030 24.513 459 HE1 HIS 62 HE1 HIS 62 4.424 1.720 26.466 460 H THR 63 H THR 63 4.328 7.556 26.085 461 HA THR 63 HA THR 63 6.704 6.959 24.648 462 HB THR 63 HB THR 63 6.461 7.902 27.511 463 HG1 THR 63 HG1 THR 63 6.653 9.424 25.106 464 HG21 THR 63 HG21 THR 63 8.722 7.164 26.878 465 HG22 THR 63 HG22 THR 63 8.662 8.914 27.094 466 HG23 THR 63 HG23 THR 63 8.675 8.224 25.469 467 H PHE 64 H PHE 64 8.240 5.444 24.986 468 HA PHE 64 HA PHE 64 7.573 3.240 26.803 469 HB2 PHE 64 HB2 PHE 64 9.419 3.407 24.418 470 HB3 PHE 64 HB3 PHE 64 9.386 2.025 25.509 471 HD1 PHE 64 HD1 PHE 64 7.217 0.765 25.780 472 HD2 PHE 64 HD2 PHE 64 7.895 3.586 22.665 473 HE1 PHE 64 HE1 PHE 64 5.374 -0.227 24.484 474 HE2 PHE 64 HE2 PHE 64 6.048 2.606 21.369 475 HZ PHE 64 HZ PHE 64 4.786 0.697 22.279 476 H ILE 65 H ILE 65 9.314 2.237 28.005 477 HA ILE 65 HA ILE 65 11.142 4.280 29.058 478 HB ILE 65 HB ILE 65 10.342 1.617 30.254 479 HG12 ILE 65 HG12 ILE 65 9.441 4.387 31.062 480 HG13 ILE 65 HG13 ILE 65 8.496 3.318 30.032 481 HG21 ILE 65 HG21 ILE 65 11.340 2.490 32.315 482 HG22 ILE 65 HG22 ILE 65 11.844 3.944 31.455 483 HG23 ILE 65 HG23 ILE 65 12.529 2.379 31.017 484 HD11 ILE 65 HD11 ILE 65 7.722 3.251 32.330 485 HD12 ILE 65 HD12 ILE 65 9.327 2.756 32.867 486 HD13 ILE 65 HD13 ILE 65 8.373 1.688 31.836 487 H ASP 66 H ASP 66 11.016 1.033 27.704 488 HA ASP 66 HA ASP 66 13.870 0.634 28.070 489 HB2 ASP 66 HB2 ASP 66 13.529 -1.602 27.407 490 HB3 ASP 66 HB3 ASP 66 12.105 -1.191 28.352 491 H ARG 67 H ARG 67 12.018 2.199 25.819 492 HA ARG 67 HA ARG 67 13.900 1.566 23.642 493 HB2 ARG 67 HB2 ARG 67 11.093 2.681 23.422 494 HB3 ARG 67 HB3 ARG 67 12.163 2.306 22.075 495 HG2 ARG 67 HG2 ARG 67 11.081 0.313 24.058 496 HG3 ARG 67 HG3 ARG 67 10.482 0.565 22.416 497 HD2 ARG 67 HD2 ARG 67 12.525 -0.201 21.469 498 HD3 ARG 67 HD3 ARG 67 13.331 -0.183 23.036 499 HE ARG 67 HE ARG 67 11.813 -2.032 23.679 500 HH11 ARG 67 HH11 ARG 67 12.436 -1.402 20.280 501 HH12 ARG 67 HH12 ARG 67 12.095 -3.037 19.793 502 HH21 ARG 67 HH21 ARG 67 11.355 -4.183 23.015 503 HH22 ARG 67 HH22 ARG 67 11.503 -4.604 21.333 504 HA PRO 68 HA PRO 68 15.108 5.820 24.397 505 HB2 PRO 68 HB2 PRO 68 17.511 5.690 23.249 506 HB3 PRO 68 HB3 PRO 68 17.183 4.862 24.780 507 HG2 PRO 68 HG2 PRO 68 17.350 3.748 22.016 508 HG3 PRO 68 HG3 PRO 68 17.928 3.056 23.544 509 HD2 PRO 68 HD2 PRO 68 15.544 2.386 22.272 510 HD3 PRO 68 HD3 PRO 68 15.916 2.085 23.979 511 H ASN 69 H ASN 69 14.423 4.316 21.403 512 HA ASN 69 HA ASN 69 14.231 6.815 20.027 513 HB2 ASN 69 HB2 ASN 69 16.715 6.139 19.975 514 HB3 ASN 69 HB3 ASN 69 16.209 4.869 18.867 515 HD21 ASN 69 HD21 ASN 69 17.914 7.254 18.569 516 HD22 ASN 69 HD22 ASN 69 17.261 8.115 17.213 517 H TYR 70 H TYR 70 12.161 6.139 19.794 518 HA TYR 70 HA TYR 70 11.729 4.176 17.647 519 HB2 TYR 70 HB2 TYR 70 9.607 3.519 18.762 520 HB3 TYR 70 HB3 TYR 70 11.011 3.152 19.758 521 HD1 TYR 70 HD1 TYR 70 7.834 4.726 19.668 522 HD2 TYR 70 HD2 TYR 70 11.643 4.914 21.546 523 HE1 TYR 70 HE1 TYR 70 6.864 6.042 21.501 524 HE2 TYR 70 HE2 TYR 70 10.685 6.235 23.373 525 HH TYR 70 HH TYR 70 8.625 7.820 23.576 526 H GLN 71 H GLN 71 8.819 4.801 17.789 527 HA GLN 71 HA GLN 71 8.703 6.771 15.839 528 HB2 GLN 71 HB2 GLN 71 6.543 5.811 17.722 529 HB3 GLN 71 HB3 GLN 71 6.243 6.862 16.347 530 HG2 GLN 71 HG2 GLN 71 5.683 4.656 15.699 531 HG3 GLN 71 HG3 GLN 71 7.181 5.080 14.874 532 HE21 GLN 71 HE21 GLN 71 7.789 2.963 14.568 533 HE22 GLN 71 HE22 GLN 71 8.318 1.946 15.859 534 H PHE 72 H PHE 72 6.952 7.353 18.882 535 HA PHE 72 HA PHE 72 7.676 10.168 18.581 536 HB2 PHE 72 HB2 PHE 72 5.543 8.853 20.269 537 HB3 PHE 72 HB3 PHE 72 5.878 10.580 20.269 538 HD1 PHE 72 HD1 PHE 72 3.369 8.801 19.423 539 HD2 PHE 72 HD2 PHE 72 6.393 10.950 17.340 540 HE1 PHE 72 HE1 PHE 72 1.847 9.085 17.511 541 HE2 PHE 72 HE2 PHE 72 4.877 11.239 15.426 542 HZ PHE 72 HZ PHE 72 2.601 10.307 15.511 543 H THR 73 H THR 73 9.827 9.911 19.337 544 HA THR 73 HA THR 73 10.037 9.468 22.246 545 HB THR 73 HB THR 73 12.422 9.585 20.428 546 HG1 THR 73 HG1 THR 73 11.268 8.020 19.392 547 HG21 THR 73 HG21 THR 73 12.804 9.518 22.826 548 HG22 THR 73 HG22 THR 73 13.323 8.002 22.087 549 HG23 THR 73 HG23 THR 73 11.795 8.080 22.964 550 H ASN 74 H ASN 74 11.589 11.422 19.689 551 HA ASN 74 HA ASN 74 12.230 13.471 21.673 552 HB2 ASN 74 HB2 ASN 74 13.964 12.514 20.102 553 HB3 ASN 74 HB3 ASN 74 13.108 13.301 18.782 554 HD21 ASN 74 HD21 ASN 74 14.818 14.602 18.242 555 HD22 ASN 74 HD22 ASN 74 15.338 15.927 19.225 556 H LEU 75 H LEU 75 9.496 13.087 20.667 557 HA LEU 75 HA LEU 75 8.861 14.955 18.646 558 HB2 LEU 75 HB2 LEU 75 7.413 13.065 19.306 559 HB3 LEU 75 HB3 LEU 75 7.079 13.875 20.825 560 HG LEU 75 HG LEU 75 5.976 15.706 19.624 561 HD11 LEU 75 HD11 LEU 75 5.516 15.493 17.226 562 HD12 LEU 75 HD12 LEU 75 6.558 14.070 17.161 563 HD13 LEU 75 HD13 LEU 75 7.241 15.647 17.558 564 HD21 LEU 75 HD21 LEU 75 4.024 14.451 18.839 565 HD22 LEU 75 HD22 LEU 75 4.638 13.829 20.371 566 HD23 LEU 75 HD23 LEU 75 4.977 12.966 18.869 567 H LYS 76 H LYS 76 9.585 15.363 21.959 568 HA LYS 76 HA LYS 76 8.153 17.802 22.331 569 HB2 LYS 76 HB2 LYS 76 9.731 18.027 24.349 570 HB3 LYS 76 HB3 LYS 76 8.580 16.704 24.338 571 HG2 LYS 76 HG2 LYS 76 10.605 15.827 25.142 572 HG3 LYS 76 HG3 LYS 76 10.445 15.232 23.500 573 HD2 LYS 76 HD2 LYS 76 12.028 16.876 22.708 574 HD3 LYS 76 HD3 LYS 76 12.105 17.614 24.311 575 HE2 LYS 76 HE2 LYS 76 13.065 15.584 25.231 576 HE3 LYS 76 HE3 LYS 76 12.906 14.776 23.674 577 HZ1 LYS 76 HZ1 LYS 76 15.169 15.576 24.119 578 HZ2 LYS 76 HZ2 LYS 76 14.594 17.171 24.168 579 HZ3 LYS 76 HZ3 LYS 76 14.500 16.276 22.731 580 H ALA 77 H ALA 77 10.903 17.043 20.601 581 HA ALA 77 HA ALA 77 12.088 19.693 20.844 582 HB1 ALA 77 HB1 ALA 77 13.561 17.744 20.703 583 HB2 ALA 77 HB2 ALA 77 13.820 18.856 19.358 584 HB3 ALA 77 HB3 ALA 77 12.906 17.368 19.109 585 H ALA 78 H ALA 78 9.407 18.780 19.466 586 HA ALA 78 HA ALA 78 9.827 19.974 16.832 587 HB1 ALA 78 HB1 ALA 78 8.435 17.998 16.891 588 HB2 ALA 78 HB2 ALA 78 7.432 19.392 16.475 589 HB3 ALA 78 HB3 ALA 78 7.388 18.725 18.110 590 H LYS 79 H LYS 79 8.298 21.647 16.110 591 HA LYS 79 HA LYS 79 7.477 23.456 18.267 592 HB2 LYS 79 HB2 LYS 79 9.137 24.235 15.860 593 HB3 LYS 79 HB3 LYS 79 8.505 25.346 17.070 594 HG2 LYS 79 HG2 LYS 79 10.075 24.795 18.595 595 HG3 LYS 79 HG3 LYS 79 10.127 23.105 18.090 596 HD2 LYS 79 HD2 LYS 79 11.395 23.757 16.092 597 HD3 LYS 79 HD3 LYS 79 11.369 25.436 16.634 598 HE2 LYS 79 HE2 LYS 79 13.486 24.329 17.167 599 HE3 LYS 79 HE3 LYS 79 12.628 24.838 18.617 600 HZ1 LYS 79 HZ1 LYS 79 13.645 22.567 18.672 601 HZ2 LYS 79 HZ2 LYS 79 12.475 22.080 17.550 602 HZ3 LYS 79 HZ3 LYS 79 12.002 22.632 19.083 603 H LYS 80 H LYS 80 6.530 25.539 16.918 604 HA LYS 80 HA LYS 80 4.022 24.562 16.072 605 HB2 LYS 80 HB2 LYS 80 3.510 26.956 15.633 606 HB3 LYS 80 HB3 LYS 80 4.144 26.643 17.239 607 HG2 LYS 80 HG2 LYS 80 6.406 27.333 16.314 608 HG3 LYS 80 HG3 LYS 80 5.524 27.933 14.909 609 HD2 LYS 80 HD2 LYS 80 5.113 28.789 17.772 610 HD3 LYS 80 HD3 LYS 80 5.926 29.722 16.517 611 HE2 LYS 80 HE2 LYS 80 3.033 28.858 16.423 612 HE3 LYS 80 HE3 LYS 80 3.594 30.448 16.936 613 HZ1 LYS 80 HZ1 LYS 80 4.570 30.755 14.729 614 HZ2 LYS 80 HZ2 LYS 80 2.895 30.508 14.647 615 HZ3 LYS 80 HZ3 LYS 80 3.960 29.253 14.238 616 H GLY 81 H GLY 81 6.881 25.120 14.324 617 HA2 GLY 81 HA2 GLY 81 5.347 24.663 11.836 618 HA3 GLY 81 HA3 GLY 81 6.748 25.740 11.868 619 H SER 82 H SER 82 6.159 22.603 13.351 620 HA SER 82 HA SER 82 8.760 21.670 13.013 621 HB2 SER 82 HB2 SER 82 6.966 20.891 14.646 622 HB3 SER 82 HB3 SER 82 6.326 19.918 13.325 623 HG SER 82 HG SER 82 8.921 19.769 14.464 624 H MET 83 H MET 83 6.121 21.665 10.841 625 HA MET 83 HA MET 83 5.681 20.762 8.817 626 HB2 MET 83 HB2 MET 83 8.676 20.935 8.756 627 HB3 MET 83 HB3 MET 83 7.779 20.274 7.394 628 HG2 MET 83 HG2 MET 83 6.785 22.842 8.397 629 HG3 MET 83 HG3 MET 83 8.410 22.884 7.720 630 HE1 MET 83 HE1 MET 83 4.628 21.861 6.958 631 HE2 MET 83 HE2 MET 83 5.564 20.404 6.627 632 HE3 MET 83 HE3 MET 83 4.796 21.276 5.299 633 H VAL 84 H VAL 84 4.654 18.953 9.446 634 HA VAL 84 HA VAL 84 6.176 16.525 9.981 635 HB VAL 84 HB VAL 84 3.191 17.007 10.047 636 HG11 VAL 84 HG11 VAL 84 3.728 14.670 9.687 637 HG12 VAL 84 HG12 VAL 84 3.088 14.914 11.310 638 HG13 VAL 84 HG13 VAL 84 4.821 14.688 11.071 639 HG21 VAL 84 HG21 VAL 84 4.320 18.355 11.712 640 HG22 VAL 84 HG22 VAL 84 5.201 16.940 12.293 641 HG23 VAL 84 HG23 VAL 84 3.451 17.032 12.490 642 H TYR 85 H TYR 85 6.558 15.051 8.453 643 HA TYR 85 HA TYR 85 5.004 15.165 5.964 644 HB2 TYR 85 HB2 TYR 85 7.626 13.774 6.568 645 HB3 TYR 85 HB3 TYR 85 6.817 13.776 5.006 646 HD1 TYR 85 HD1 TYR 85 6.643 15.905 3.721 647 HD2 TYR 85 HD2 TYR 85 8.969 15.589 7.266 648 HE1 TYR 85 HE1 TYR 85 7.853 17.954 3.099 649 HE2 TYR 85 HE2 TYR 85 10.184 17.640 6.660 650 HH TYR 85 HH TYR 85 10.719 18.944 4.691 651 H PHE 86 H PHE 86 3.224 13.928 6.208 652 HA PHE 86 HA PHE 86 3.531 11.309 7.474 653 HB2 PHE 86 HB2 PHE 86 1.632 12.845 8.129 654 HB3 PHE 86 HB3 PHE 86 0.974 12.608 6.514 655 HD1 PHE 86 HD1 PHE 86 2.426 10.347 9.105 656 HD2 PHE 86 HD2 PHE 86 -0.851 11.230 6.539 657 HE1 PHE 86 HE1 PHE 86 1.266 8.327 9.896 658 HE2 PHE 86 HE2 PHE 86 -2.014 9.209 7.320 659 HZ PHE 86 HZ PHE 86 -0.957 7.754 9.002 660 H LYS 87 H LYS 87 4.297 9.851 6.099 661 HA LYS 87 HA LYS 87 3.598 9.933 3.288 662 HB2 LYS 87 HB2 LYS 87 5.412 8.200 4.936 663 HB3 LYS 87 HB3 LYS 87 4.968 7.734 3.301 664 HG2 LYS 87 HG2 LYS 87 5.821 9.969 2.542 665 HG3 LYS 87 HG3 LYS 87 6.471 10.184 4.170 666 HD2 LYS 87 HD2 LYS 87 7.874 8.261 3.933 667 HD3 LYS 87 HD3 LYS 87 7.101 7.825 2.409 668 HE2 LYS 87 HE2 LYS 87 9.304 8.870 2.081 669 HE3 LYS 87 HE3 LYS 87 7.999 9.799 1.343 670 HZ1 LYS 87 HZ1 LYS 87 9.311 10.391 3.948 671 HZ2 LYS 87 HZ2 LYS 87 8.027 11.263 3.274 672 HZ3 LYS 87 HZ3 LYS 87 9.525 11.248 2.499 673 H VAL 88 H VAL 88 1.990 8.874 2.386 674 HA VAL 88 HA VAL 88 0.779 6.641 3.867 675 HB VAL 88 HB VAL 88 -1.065 8.339 2.296 676 HG11 VAL 88 HG11 VAL 88 -2.559 7.767 4.169 677 HG12 VAL 88 HG12 VAL 88 -1.222 6.896 4.926 678 HG13 VAL 88 HG13 VAL 88 -1.862 6.358 3.371 679 HG21 VAL 88 HG21 VAL 88 -1.402 9.917 4.128 680 HG22 VAL 88 HG22 VAL 88 0.232 10.035 3.474 681 HG23 VAL 88 HG23 VAL 88 -0.047 9.194 4.996 682 H GLY 89 H GLY 89 1.394 5.032 2.613 683 HA2 GLY 89 HA2 GLY 89 1.345 3.584 0.818 684 HA3 GLY 89 HA3 GLY 89 0.181 4.664 0.062 685 H ASN 90 H ASN 90 1.006 6.541 -1.050 686 HA ASN 90 HA ASN 90 3.731 6.154 -2.067 687 HB2 ASN 90 HB2 ASN 90 2.814 5.451 -3.995 688 HB3 ASN 90 HB3 ASN 90 1.207 5.958 -3.500 689 HD21 ASN 90 HD21 ASN 90 0.411 7.887 -4.178 690 HD22 ASN 90 HD22 ASN 90 1.189 8.876 -5.364 691 H GLU 91 H GLU 91 1.377 8.282 -0.868 692 HA GLU 91 HA GLU 91 2.688 10.626 -2.028 693 HB2 GLU 91 HB2 GLU 91 0.770 11.899 -1.110 694 HB3 GLU 91 HB3 GLU 91 0.288 10.642 -2.240 695 HG2 GLU 91 HG2 GLU 91 -0.550 9.274 -0.531 696 HG3 GLU 91 HG3 GLU 91 0.273 10.199 0.724 697 H THR 92 H THR 92 3.444 12.329 -0.778 698 HA THR 92 HA THR 92 3.745 11.798 2.112 699 HB THR 92 HB THR 92 5.705 13.318 0.376 700 HG1 THR 92 HG1 THR 92 5.414 10.797 0.312 701 HG21 THR 92 HG21 THR 92 5.642 13.985 2.753 702 HG22 THR 92 HG22 THR 92 7.166 13.212 2.315 703 HG23 THR 92 HG23 THR 92 5.945 12.311 3.213 704 H ARG 93 H ARG 93 2.119 13.079 2.891 705 HA ARG 93 HA ARG 93 1.812 15.771 1.800 706 HB2 ARG 93 HB2 ARG 93 -0.219 15.823 3.321 707 HB3 ARG 93 HB3 ARG 93 -0.267 14.689 1.982 708 HG2 ARG 93 HG2 ARG 93 0.383 12.884 3.537 709 HG3 ARG 93 HG3 ARG 93 0.294 14.045 4.865 710 HD2 ARG 93 HD2 ARG 93 -1.764 12.768 4.723 711 HD3 ARG 93 HD3 ARG 93 -2.061 14.461 4.333 712 HE ARG 93 HE ARG 93 -1.908 12.271 2.345 713 HH11 ARG 93 HH11 ARG 93 -3.029 15.462 3.329 714 HH12 ARG 93 HH12 ARG 93 -4.107 15.616 1.971 715 HH21 ARG 93 HH21 ARG 93 -3.277 12.515 0.563 716 HH22 ARG 93 HH22 ARG 93 -4.237 13.967 0.396 717 H LYS 94 H LYS 94 1.256 17.498 3.534 718 HA LYS 94 HA LYS 94 3.377 17.341 5.553 719 HB2 LYS 94 HB2 LYS 94 3.563 19.944 4.811 720 HB3 LYS 94 HB3 LYS 94 4.607 18.665 4.219 721 HG2 LYS 94 HG2 LYS 94 3.819 20.086 2.414 722 HG3 LYS 94 HG3 LYS 94 3.227 18.435 2.228 723 HD2 LYS 94 HD2 LYS 94 1.113 19.293 3.424 724 HD3 LYS 94 HD3 LYS 94 1.726 20.902 3.039 725 HE2 LYS 94 HE2 LYS 94 1.550 20.546 0.739 726 HE3 LYS 94 HE3 LYS 94 1.463 18.793 0.924 727 HZ1 LYS 94 HZ1 LYS 94 -0.633 20.778 1.623 728 HZ2 LYS 94 HZ2 LYS 94 -0.704 19.140 2.056 729 HZ3 LYS 94 HZ3 LYS 94 -0.706 19.583 0.416 730 H TYR 95 H TYR 95 2.806 17.953 7.480 731 HA TYR 95 HA TYR 95 0.395 19.619 7.788 732 HB2 TYR 95 HB2 TYR 95 1.505 17.479 9.617 733 HB3 TYR 95 HB3 TYR 95 0.121 18.501 9.992 734 HD1 TYR 95 HD1 TYR 95 1.316 15.652 8.039 735 HD2 TYR 95 HD2 TYR 95 -1.993 18.201 8.828 736 HE1 TYR 95 HE1 TYR 95 -0.177 14.049 6.922 737 HE2 TYR 95 HE2 TYR 95 -3.498 16.608 7.725 738 HH TYR 95 HH TYR 95 -3.375 14.829 6.063 739 H LYS 96 H LYS 96 0.412 21.250 9.360 740 HA LYS 96 HA LYS 96 3.091 21.927 10.408 741 HB2 LYS 96 HB2 LYS 96 1.815 23.403 8.615 742 HB3 LYS 96 HB3 LYS 96 0.991 24.020 10.027 743 HG2 LYS 96 HG2 LYS 96 2.784 25.469 9.540 744 HG3 LYS 96 HG3 LYS 96 3.244 24.555 10.980 745 HD2 LYS 96 HD2 LYS 96 5.170 24.250 9.822 746 HD3 LYS 96 HD3 LYS 96 4.242 22.960 9.048 747 HE2 LYS 96 HE2 LYS 96 5.235 24.185 7.292 748 HE3 LYS 96 HE3 LYS 96 3.538 24.665 7.327 749 HZ1 LYS 96 HZ1 LYS 96 4.844 26.617 7.066 750 HZ2 LYS 96 HZ2 LYS 96 5.869 26.194 8.347 751 HZ3 LYS 96 HZ3 LYS 96 4.264 26.635 8.660 752 H MET 97 H MET 97 3.255 22.178 12.580 753 HA MET 97 HA MET 97 0.955 21.397 14.143 754 HB2 MET 97 HB2 MET 97 3.839 21.936 14.867 755 HB3 MET 97 HB3 MET 97 2.614 21.580 16.077 756 HG2 MET 97 HG2 MET 97 2.196 19.421 15.062 757 HG3 MET 97 HG3 MET 97 3.359 19.778 13.785 758 HE1 MET 97 HE1 MET 97 4.470 17.355 14.433 759 HE2 MET 97 HE2 MET 97 3.330 17.165 15.767 760 HE3 MET 97 HE3 MET 97 5.062 16.984 16.051 761 H THR 98 H THR 98 -0.214 23.352 13.494 762 HA THR 98 HA THR 98 0.668 25.890 14.511 763 HB THR 98 HB THR 98 -0.478 25.996 12.453 764 HG1 THR 98 HG1 THR 98 -1.119 27.595 14.092 765 HG21 THR 98 HG21 THR 98 -2.716 24.431 13.741 766 HG22 THR 98 HG22 THR 98 -1.630 23.876 12.464 767 HG23 THR 98 HG23 THR 98 -2.792 25.161 12.137 768 H SER 99 H SER 99 -1.380 23.327 15.650 769 HA SER 99 HA SER 99 -2.146 25.035 17.920 770 HB2 SER 99 HB2 SER 99 -3.726 22.702 16.826 771 HB3 SER 99 HB3 SER 99 -4.225 23.813 18.099 772 HG SER 99 HG SER 99 -3.766 25.436 16.249 773 H ILE 100 H ILE 100 -0.721 24.500 19.461 774 HA ILE 100 HA ILE 100 -0.184 21.648 19.963 775 HB ILE 100 HB ILE 100 1.527 24.043 20.659 776 HG12 ILE 100 HG12 ILE 100 1.962 21.872 18.594 777 HG13 ILE 100 HG13 ILE 100 1.479 23.527 18.239 778 HG21 ILE 100 HG21 ILE 100 3.227 22.364 21.285 779 HG22 ILE 100 HG22 ILE 100 2.027 21.093 21.041 780 HG23 ILE 100 HG23 ILE 100 1.792 22.298 22.307 781 HD11 ILE 100 HD11 ILE 100 3.592 24.339 19.147 782 HD12 ILE 100 HD12 ILE 100 3.848 23.189 17.834 783 HD13 ILE 100 HD13 ILE 100 4.075 22.682 19.509 784 H ARG 101 H ARG 101 -0.856 20.827 21.866 785 HA ARG 101 HA ARG 101 -1.110 22.554 24.181 786 HB2 ARG 101 HB2 ARG 101 -3.302 21.679 22.656 787 HB3 ARG 101 HB3 ARG 101 -3.287 20.679 24.100 788 HG2 ARG 101 HG2 ARG 101 -3.093 22.779 25.412 789 HG3 ARG 101 HG3 ARG 101 -3.425 23.662 23.924 790 HD2 ARG 101 HD2 ARG 101 -5.534 22.430 23.675 791 HD3 ARG 101 HD3 ARG 101 -5.208 21.574 25.179 792 HE ARG 101 HE ARG 101 -5.430 24.506 25.223 793 HH11 ARG 101 HH11 ARG 101 -6.654 21.353 26.141 794 HH12 ARG 101 HH12 ARG 101 -7.830 21.984 27.248 795 HH21 ARG 101 HH21 ARG 101 -7.046 25.332 26.654 796 HH22 ARG 101 HH22 ARG 101 -8.086 24.221 27.508 797 H ASP 102 H ASP 102 -1.592 21.203 26.137 798 HA ASP 102 HA ASP 102 -1.198 18.363 25.890 799 HB2 ASP 102 HB2 ASP 102 0.408 18.350 27.876 800 HB3 ASP 102 HB3 ASP 102 1.069 18.798 26.313 801 H VAL 103 H VAL 103 -2.519 17.304 27.171 802 HA VAL 103 HA VAL 103 -3.982 18.865 29.196 803 HB VAL 103 HB VAL 103 -6.097 17.825 28.348 804 HG11 VAL 103 HG11 VAL 103 -5.521 20.132 27.784 805 HG12 VAL 103 HG12 VAL 103 -6.369 19.345 26.453 806 HG13 VAL 103 HG13 VAL 103 -4.621 19.566 26.377 807 HG21 VAL 103 HG21 VAL 103 -5.128 15.947 27.145 808 HG22 VAL 103 HG22 VAL 103 -4.345 17.053 26.017 809 HG23 VAL 103 HG23 VAL 103 -6.105 16.932 26.056 810 H LYS 104 H LYS 104 -5.711 17.225 30.178 811 HA LYS 104 HA LYS 104 -4.211 14.853 31.017 812 HB2 LYS 104 HB2 LYS 104 -6.584 16.249 32.273 813 HB3 LYS 104 HB3 LYS 104 -5.871 14.767 32.886 814 HG2 LYS 104 HG2 LYS 104 -4.999 16.464 34.225 815 HG3 LYS 104 HG3 LYS 104 -3.704 16.077 33.097 816 HD2 LYS 104 HD2 LYS 104 -3.918 18.487 33.382 817 HD3 LYS 104 HD3 LYS 104 -4.331 18.018 31.733 818 HE2 LYS 104 HE2 LYS 104 -6.710 18.128 32.298 819 HE3 LYS 104 HE3 LYS 104 -6.298 18.592 33.948 820 HZ1 LYS 104 HZ1 LYS 104 -5.573 20.157 31.527 821 HZ2 LYS 104 HZ2 LYS 104 -5.331 20.618 33.140 822 HZ3 LYS 104 HZ3 LYS 104 -6.904 20.486 32.523 823 HA PRO 105 HA PRO 105 -7.014 12.204 28.768 824 HB2 PRO 105 HB2 PRO 105 -6.609 10.253 30.951 825 HB3 PRO 105 HB3 PRO 105 -6.245 10.103 29.228 826 HG2 PRO 105 HG2 PRO 105 -4.289 10.382 31.022 827 HG3 PRO 105 HG3 PRO 105 -4.197 11.162 29.432 828 HD2 PRO 105 HD2 PRO 105 -4.934 12.354 32.083 829 HD3 PRO 105 HD3 PRO 105 -3.886 13.011 30.806 830 H THR 106 H THR 106 -7.466 13.227 31.981 831 HA THR 106 HA THR 106 -10.228 12.230 32.014 832 HB THR 106 HB THR 106 -8.858 11.540 33.953 833 HG1 THR 106 HG1 THR 106 -11.075 13.253 34.284 834 HG21 THR 106 HG21 THR 106 -8.678 14.499 34.537 835 HG22 THR 106 HG22 THR 106 -7.341 13.450 34.062 836 HG23 THR 106 HG23 THR 106 -8.148 13.206 35.611 837 H ASP 107 H ASP 107 -8.915 14.709 30.723 838 HA ASP 107 HA ASP 107 -10.077 16.947 32.085 839 HB2 ASP 107 HB2 ASP 107 -8.074 16.867 30.391 840 HB3 ASP 107 HB3 ASP 107 -9.339 16.987 29.173 841 H VAL 108 H VAL 108 -11.638 18.386 30.751 842 HA VAL 108 HA VAL 108 -13.824 16.621 29.861 843 HB VAL 108 HB VAL 108 -15.403 18.336 30.690 844 HG11 VAL 108 HG11 VAL 108 -13.477 17.283 32.755 845 HG12 VAL 108 HG12 VAL 108 -14.859 16.418 32.081 846 HG13 VAL 108 HG13 VAL 108 -15.114 17.852 33.076 847 HG21 VAL 108 HG21 VAL 108 -12.946 19.615 31.883 848 HG22 VAL 108 HG22 VAL 108 -14.614 20.100 32.183 849 HG23 VAL 108 HG23 VAL 108 -13.919 20.280 30.572 850 H GLU 109 H GLU 109 -11.841 19.331 29.093 851 HA GLU 109 HA GLU 109 -13.594 20.007 26.840 852 HB2 GLU 109 HB2 GLU 109 -12.053 22.004 26.589 853 HB3 GLU 109 HB3 GLU 109 -13.055 21.970 28.032 854 HG2 GLU 109 HG2 GLU 109 -11.156 21.195 29.342 855 HG3 GLU 109 HG3 GLU 109 -10.149 21.197 27.894 856 H VAL 110 H VAL 110 -11.258 17.899 27.423 857 HA VAL 110 HA VAL 110 -9.581 18.301 25.151 858 HB VAL 110 HB VAL 110 -8.765 17.201 27.188 859 HG11 VAL 110 HG11 VAL 110 -10.728 15.025 26.481 860 HG12 VAL 110 HG12 VAL 110 -10.767 16.062 27.906 861 HG13 VAL 110 HG13 VAL 110 -9.465 14.891 27.704 862 HG21 VAL 110 HG21 VAL 110 -7.678 16.720 25.099 863 HG22 VAL 110 HG22 VAL 110 -8.818 15.417 24.779 864 HG23 VAL 110 HG23 VAL 110 -7.686 15.287 26.124 865 H LEU 111 H LEU 111 -12.655 16.904 25.721 866 HA LEU 111 HA LEU 111 -12.451 15.228 23.329 867 HB2 LEU 111 HB2 LEU 111 -14.553 14.158 24.133 868 HB3 LEU 111 HB3 LEU 111 -13.158 13.916 25.161 869 HG LEU 111 HG LEU 111 -15.031 16.141 25.833 870 HD11 LEU 111 HD11 LEU 111 -15.526 13.224 26.415 871 HD12 LEU 111 HD12 LEU 111 -16.518 14.264 25.392 872 HD13 LEU 111 HD13 LEU 111 -16.409 14.575 27.125 873 HD21 LEU 111 HD21 LEU 111 -12.939 15.793 27.081 874 HD22 LEU 111 HD22 LEU 111 -13.462 14.157 27.477 875 HD23 LEU 111 HD23 LEU 111 -14.360 15.544 28.094 876 H ASP 112 H ASP 112 -13.145 18.256 23.808 877 HA ASP 112 HA ASP 112 -15.720 18.574 22.661 878 HB2 ASP 112 HB2 ASP 112 -13.372 20.386 23.051 879 HB3 ASP 112 HB3 ASP 112 -14.661 20.879 21.957 880 H GLU 113 H GLU 113 -16.150 19.451 20.506 881 HA GLU 113 HA GLU 113 -14.642 17.856 18.599 882 HB2 GLU 113 HB2 GLU 113 -16.751 18.775 17.165 883 HB3 GLU 113 HB3 GLU 113 -16.745 17.284 18.090 884 HG2 GLU 113 HG2 GLU 113 -18.741 18.366 18.660 885 HG3 GLU 113 HG3 GLU 113 -17.660 18.631 20.026 886 H GLN 114 H GLN 114 -12.829 19.313 18.548 887 HA GLN 114 HA GLN 114 -13.108 21.841 17.286 888 HB2 GLN 114 HB2 GLN 114 -10.760 20.045 17.850 889 HB3 GLN 114 HB3 GLN 114 -10.587 21.556 16.971 890 HG2 GLN 114 HG2 GLN 114 -10.037 21.810 19.311 891 HG3 GLN 114 HG3 GLN 114 -11.427 22.786 18.861 892 HE21 GLN 114 HE21 GLN 114 -10.331 19.996 20.618 893 HE22 GLN 114 HE22 GLN 114 -11.748 19.806 21.588 894 H LYS 115 H LYS 115 -14.510 20.912 15.543 895 HA LYS 115 HA LYS 115 -12.832 20.094 13.294 896 HB2 LYS 115 HB2 LYS 115 -14.811 19.407 12.135 897 HB3 LYS 115 HB3 LYS 115 -14.850 18.724 13.750 898 HG2 LYS 115 HG2 LYS 115 -16.338 21.231 13.057 899 HG3 LYS 115 HG3 LYS 115 -17.022 19.624 12.811 900 HD2 LYS 115 HD2 LYS 115 -16.379 19.241 15.290 901 HD3 LYS 115 HD3 LYS 115 -16.293 21.003 15.363 902 HE2 LYS 115 HE2 LYS 115 -18.470 20.322 16.060 903 HE3 LYS 115 HE3 LYS 115 -18.606 21.095 14.480 904 HZ1 LYS 115 HZ1 LYS 115 -18.535 18.153 14.938 905 HZ2 LYS 115 HZ2 LYS 115 -18.751 18.923 13.443 906 HZ3 LYS 115 HZ3 LYS 115 -19.939 19.055 14.642 907 H GLY 116 H GLY 116 -13.853 21.127 11.139 908 HA2 GLY 116 HA2 GLY 116 -14.405 23.258 10.141 909 HA3 GLY 116 HA3 GLY 116 -13.872 24.037 11.632 910 H LYS 117 H LYS 117 -11.614 22.173 11.816 911 HA LYS 117 HA LYS 117 -9.649 23.477 10.217 912 HB2 LYS 117 HB2 LYS 117 -9.651 21.065 12.023 913 HB3 LYS 117 HB3 LYS 117 -8.242 21.465 11.055 914 HG2 LYS 117 HG2 LYS 117 -9.458 23.494 12.885 915 HG3 LYS 117 HG3 LYS 117 -8.350 22.264 13.496 916 HD2 LYS 117 HD2 LYS 117 -6.699 22.994 11.780 917 HD3 LYS 117 HD3 LYS 117 -7.792 24.310 11.351 918 HE2 LYS 117 HE2 LYS 117 -7.593 25.273 13.537 919 HE3 LYS 117 HE3 LYS 117 -6.692 23.876 14.123 920 HZ1 LYS 117 HZ1 LYS 117 -4.902 24.434 12.602 921 HZ2 LYS 117 HZ2 LYS 117 -5.223 25.733 13.640 922 HZ3 LYS 117 HZ3 LYS 117 -5.762 25.776 12.035 923 H ASP 118 H ASP 118 -8.333 22.405 8.597 924 HA ASP 118 HA ASP 118 -9.837 20.635 6.897 925 HB2 ASP 118 HB2 ASP 118 -7.724 20.844 5.473 926 HB3 ASP 118 HB3 ASP 118 -8.661 22.295 5.732 927 H LYS 119 H LYS 119 -7.701 19.092 5.833 928 HA LYS 119 HA LYS 119 -7.678 16.797 7.319 929 HB2 LYS 119 HB2 LYS 119 -6.493 17.668 4.984 930 HB3 LYS 119 HB3 LYS 119 -5.112 17.303 6.003 931 HG2 LYS 119 HG2 LYS 119 -5.540 15.348 4.796 932 HG3 LYS 119 HG3 LYS 119 -6.190 15.046 6.402 933 HD2 LYS 119 HD2 LYS 119 -8.369 15.163 5.681 934 HD3 LYS 119 HD3 LYS 119 -7.966 16.164 4.287 935 HE2 LYS 119 HE2 LYS 119 -8.602 13.857 3.661 936 HE3 LYS 119 HE3 LYS 119 -6.961 14.274 3.170 937 HZ1 LYS 119 HZ1 LYS 119 -7.063 12.059 4.133 938 HZ2 LYS 119 HZ2 LYS 119 -7.695 12.684 5.572 939 HZ3 LYS 119 HZ3 LYS 119 -6.119 13.078 5.096 940 H GLN 120 H GLN 120 -7.141 16.656 9.456 941 HA GLN 120 HA GLN 120 -4.728 18.115 10.293 942 HB2 GLN 120 HB2 GLN 120 -5.685 18.613 12.386 943 HB3 GLN 120 HB3 GLN 120 -6.947 18.949 11.212 944 HG2 GLN 120 HG2 GLN 120 -8.016 16.820 11.741 945 HG3 GLN 120 HG3 GLN 120 -6.742 16.469 12.908 946 HE21 GLN 120 HE21 GLN 120 -8.025 16.405 14.704 947 HE22 GLN 120 HE22 GLN 120 -8.845 17.790 15.334 948 H LEU 121 H LEU 121 -3.186 17.076 11.342 949 HA LEU 121 HA LEU 121 -3.569 14.206 11.801 950 HB2 LEU 121 HB2 LEU 121 -1.680 15.085 10.325 951 HB3 LEU 121 HB3 LEU 121 -0.966 15.734 11.790 952 HG LEU 121 HG LEU 121 -0.896 13.426 12.721 953 HD11 LEU 121 HD11 LEU 121 -2.684 12.445 11.399 954 HD12 LEU 121 HD12 LEU 121 -1.183 11.546 11.178 955 HD13 LEU 121 HD13 LEU 121 -1.734 12.661 9.928 956 HD21 LEU 121 HD21 LEU 121 0.534 13.811 10.093 957 HD22 LEU 121 HD22 LEU 121 1.003 12.698 11.379 958 HD23 LEU 121 HD23 LEU 121 1.062 14.439 11.655 959 H THR 122 H THR 122 -4.145 13.765 13.809 960 HA THR 122 HA THR 122 -3.431 15.630 15.936 961 HB THR 122 HB THR 122 -5.315 13.268 16.059 962 HG1 THR 122 HG1 THR 122 -5.642 15.374 14.626 963 HG21 THR 122 HG21 THR 122 -4.542 14.036 18.249 964 HG22 THR 122 HG22 THR 122 -6.237 14.460 18.010 965 HG23 THR 122 HG23 THR 122 -4.988 15.693 17.835 966 H LEU 123 H LEU 123 -1.409 15.205 16.598 967 HA LEU 123 HA LEU 123 -0.470 12.505 16.988 968 HB2 LEU 123 HB2 LEU 123 0.759 15.173 17.704 969 HB3 LEU 123 HB3 LEU 123 1.544 13.632 17.968 970 HG LEU 123 HG LEU 123 2.521 14.492 16.018 971 HD11 LEU 123 HD11 LEU 123 0.361 12.581 15.148 972 HD12 LEU 123 HD12 LEU 123 1.951 12.157 15.785 973 HD13 LEU 123 HD13 LEU 123 1.813 12.974 14.228 974 HD21 LEU 123 HD21 LEU 123 0.947 16.280 15.562 975 HD22 LEU 123 HD22 LEU 123 -0.238 15.112 14.977 976 HD23 LEU 123 HD23 LEU 123 1.275 15.347 14.101 977 H ILE 124 H ILE 124 -1.409 11.414 18.601 978 HA ILE 124 HA ILE 124 -1.921 12.783 21.144 979 HB ILE 124 HB ILE 124 -2.776 10.007 20.299 980 HG12 ILE 124 HG12 ILE 124 -4.372 12.581 20.308 981 HG13 ILE 124 HG13 ILE 124 -3.781 11.758 18.869 982 HG21 ILE 124 HG21 ILE 124 -4.344 10.185 22.178 983 HG22 ILE 124 HG22 ILE 124 -3.653 11.756 22.592 984 HG23 ILE 124 HG23 ILE 124 -2.665 10.301 22.709 985 HD11 ILE 124 HD11 ILE 124 -5.765 10.641 20.839 986 HD12 ILE 124 HD12 ILE 124 -5.191 9.841 19.377 987 HD13 ILE 124 HD13 ILE 124 -6.144 11.319 19.257 988 H THR 125 H THR 125 -0.082 12.808 22.314 989 HA THR 125 HA THR 125 1.469 10.310 22.456 990 HB THR 125 HB THR 125 2.513 13.118 22.856 991 HG1 THR 125 HG1 THR 125 1.792 12.037 20.619 992 HG21 THR 125 HG21 THR 125 4.715 12.057 22.662 993 HG22 THR 125 HG22 THR 125 3.945 10.479 22.495 994 HG23 THR 125 HG23 THR 125 3.803 11.374 24.008 995 H CYS 126 H CYS 126 0.834 9.349 24.286 996 HA CYS 126 HA CYS 126 0.455 10.931 26.705 997 HB2 CYS 126 HB2 CYS 126 0.219 7.929 26.481 998 HB3 CYS 126 HB3 CYS 126 -0.580 9.012 27.626 999 H ASP 127 H ASP 127 2.376 11.591 27.429 1000 HA ASP 127 HA ASP 127 4.663 9.770 27.206 1001 HB2 ASP 127 HB2 ASP 127 6.041 11.753 27.130 1002 HB3 ASP 127 HB3 ASP 127 4.726 11.933 25.972 1003 H ASP 128 H ASP 128 2.594 10.548 29.572 1004 HA ASP 128 HA ASP 128 4.733 10.678 31.577 1005 HB2 ASP 128 HB2 ASP 128 3.533 12.889 31.191 1006 HB3 ASP 128 HB3 ASP 128 2.113 12.125 31.901 1007 H TYR 129 H TYR 129 4.670 8.656 32.253 1008 HA TYR 129 HA TYR 129 2.135 7.438 33.045 1009 HB2 TYR 129 HB2 TYR 129 3.586 6.061 31.673 1010 HB3 TYR 129 HB3 TYR 129 4.930 6.312 32.777 1011 HD1 TYR 129 HD1 TYR 129 5.198 4.956 34.706 1012 HD2 TYR 129 HD2 TYR 129 1.642 4.667 32.390 1013 HE1 TYR 129 HE1 TYR 129 4.582 2.914 35.923 1014 HE2 TYR 129 HE2 TYR 129 1.014 2.621 33.602 1015 HH TYR 129 HH TYR 129 2.124 0.819 34.870 1016 H ASN 130 H ASN 130 1.512 7.393 35.101 1017 HA ASN 130 HA ASN 130 3.393 8.179 37.192 1018 HB2 ASN 130 HB2 ASN 130 1.074 9.138 37.118 1019 HB3 ASN 130 HB3 ASN 130 0.444 7.524 37.455 1020 HD21 ASN 130 HD21 ASN 130 1.819 10.360 38.743 1021 HD22 ASN 130 HD22 ASN 130 1.889 9.849 40.405 1022 H GLU 131 H GLU 131 4.606 6.627 38.035 1023 HA GLU 131 HA GLU 131 4.039 3.861 37.727 1024 HB2 GLU 131 HB2 GLU 131 6.087 5.306 39.396 1025 HB3 GLU 131 HB3 GLU 131 6.043 3.563 39.184 1026 HG2 GLU 131 HG2 GLU 131 6.433 3.798 36.813 1027 HG3 GLU 131 HG3 GLU 131 6.357 5.554 36.947 1028 H LYS 132 H LYS 132 2.950 6.082 40.054 1029 HA LYS 132 HA LYS 132 2.949 4.236 42.267 1030 HB2 LYS 132 HB2 LYS 132 2.175 7.079 41.867 1031 HB3 LYS 132 HB3 LYS 132 1.645 6.210 43.293 1032 HG2 LYS 132 HG2 LYS 132 4.133 5.572 43.547 1033 HG3 LYS 132 HG3 LYS 132 4.412 6.919 42.438 1034 HD2 LYS 132 HD2 LYS 132 3.345 8.445 43.939 1035 HD3 LYS 132 HD3 LYS 132 2.844 7.118 44.990 1036 HE2 LYS 132 HE2 LYS 132 5.695 7.915 44.420 1037 HE3 LYS 132 HE3 LYS 132 4.796 8.321 45.881 1038 HZ1 LYS 132 HZ1 LYS 132 4.573 5.952 46.348 1039 HZ2 LYS 132 HZ2 LYS 132 6.203 6.404 46.238 1040 HZ3 LYS 132 HZ3 LYS 132 5.471 5.576 44.957 1041 H THR 133 H THR 133 0.712 5.387 39.870 1042 HA THR 133 HA THR 133 -1.405 3.811 41.177 1043 HB THR 133 HB THR 133 -1.869 6.201 41.423 1044 HG1 THR 133 HG1 THR 133 -3.969 6.136 40.664 1045 HG21 THR 133 HG21 THR 133 -2.400 7.552 39.422 1046 HG22 THR 133 HG22 THR 133 -1.779 6.242 38.417 1047 HG23 THR 133 HG23 THR 133 -0.703 7.087 39.530 1048 H GLY 134 H GLY 134 0.508 4.250 38.469 1049 HA2 GLY 134 HA2 GLY 134 0.679 2.990 36.566 1050 HA3 GLY 134 HA3 GLY 134 -0.630 1.994 37.180 1051 H VAL 135 H VAL 135 -0.355 5.386 36.105 1052 HA VAL 135 HA VAL 135 -2.218 4.843 33.943 1053 HB VAL 135 HB VAL 135 -3.546 5.467 36.054 1054 HG11 VAL 135 HG11 VAL 135 -3.745 7.865 36.532 1055 HG12 VAL 135 HG12 VAL 135 -2.419 8.186 35.414 1056 HG13 VAL 135 HG13 VAL 135 -2.129 7.248 36.877 1057 HG21 VAL 135 HG21 VAL 135 -4.539 5.483 33.846 1058 HG22 VAL 135 HG22 VAL 135 -3.889 7.093 33.539 1059 HG23 VAL 135 HG23 VAL 135 -5.120 6.863 34.778 1060 H TRP 136 H TRP 136 -2.301 6.578 32.389 1061 HA TRP 136 HA TRP 136 0.099 8.221 32.351 1062 HB2 TRP 136 HB2 TRP 136 -2.104 7.961 30.280 1063 HB3 TRP 136 HB3 TRP 136 -0.536 8.729 30.045 1064 HD1 TRP 136 HD1 TRP 136 -2.218 5.325 30.142 1065 HE1 TRP 136 HE1 TRP 136 -0.541 3.518 29.398 1066 HE3 TRP 136 HE3 TRP 136 2.025 8.174 30.029 1067 HZ2 TRP 136 HZ2 TRP 136 2.221 3.338 28.844 1068 HZ3 TRP 136 HZ3 TRP 136 4.145 7.106 29.384 1069 HH2 TRP 136 HH2 TRP 136 4.240 4.737 28.804 1070 H GLU 137 H GLU 137 0.075 10.254 33.124 1071 HA GLU 137 HA GLU 137 -2.473 11.217 34.108 1072 HB2 GLU 137 HB2 GLU 137 0.334 12.217 34.559 1073 HB3 GLU 137 HB3 GLU 137 -1.100 12.911 35.306 1074 HG2 GLU 137 HG2 GLU 137 -1.561 10.589 36.220 1075 HG3 GLU 137 HG3 GLU 137 0.079 10.186 35.721 1076 H LYS 138 H LYS 138 -0.274 12.055 31.537 1077 HA LYS 138 HA LYS 138 -2.172 14.138 30.791 1078 HB2 LYS 138 HB2 LYS 138 -0.539 15.825 30.415 1079 HB3 LYS 138 HB3 LYS 138 -0.282 15.215 32.042 1080 HG2 LYS 138 HG2 LYS 138 1.576 13.837 31.210 1081 HG3 LYS 138 HG3 LYS 138 1.338 14.522 29.601 1082 HD2 LYS 138 HD2 LYS 138 1.780 16.763 30.506 1083 HD3 LYS 138 HD3 LYS 138 2.044 16.056 32.101 1084 HE2 LYS 138 HE2 LYS 138 4.184 16.409 31.146 1085 HE3 LYS 138 HE3 LYS 138 3.874 14.677 31.070 1086 HZ1 LYS 138 HZ1 LYS 138 4.799 15.392 29.008 1087 HZ2 LYS 138 HZ2 LYS 138 3.641 16.619 28.839 1088 HZ3 LYS 138 HZ3 LYS 138 3.177 14.990 28.738 1089 H ARG 139 H ARG 139 -2.139 14.737 28.625 1090 HA ARG 139 HA ARG 139 -0.722 12.896 26.810 1091 HB2 ARG 139 HB2 ARG 139 -3.087 12.367 26.752 1092 HB3 ARG 139 HB3 ARG 139 -3.503 14.064 26.563 1093 HG2 ARG 139 HG2 ARG 139 -1.919 13.737 24.419 1094 HG3 ARG 139 HG3 ARG 139 -2.574 12.105 24.573 1095 HD2 ARG 139 HD2 ARG 139 -4.191 14.648 24.421 1096 HD3 ARG 139 HD3 ARG 139 -3.939 13.516 23.097 1097 HE ARG 139 HE ARG 139 -5.045 12.143 25.296 1098 HH11 ARG 139 HH11 ARG 139 -5.934 14.515 22.880 1099 HH12 ARG 139 HH12 ARG 139 -7.613 14.090 22.887 1100 HH21 ARG 139 HH21 ARG 139 -7.252 11.549 25.308 1101 HH22 ARG 139 HH22 ARG 139 -8.364 12.402 24.264 1102 H LYS 140 H LYS 140 0.851 14.053 25.882 1103 HA LYS 140 HA LYS 140 0.550 16.851 25.282 1104 HB2 LYS 140 HB2 LYS 140 2.767 15.796 25.779 1105 HB3 LYS 140 HB3 LYS 140 2.633 14.888 24.282 1106 HG2 LYS 140 HG2 LYS 140 4.082 16.856 24.072 1107 HG3 LYS 140 HG3 LYS 140 2.691 16.924 22.993 1108 HD2 LYS 140 HD2 LYS 140 1.584 18.495 24.373 1109 HD3 LYS 140 HD3 LYS 140 2.741 18.263 25.685 1110 HE2 LYS 140 HE2 LYS 140 4.504 19.224 24.275 1111 HE3 LYS 140 HE3 LYS 140 3.332 19.469 22.983 1112 HZ1 LYS 140 HZ1 LYS 140 3.844 21.457 24.413 1113 HZ2 LYS 140 HZ2 LYS 140 3.006 20.685 25.672 1114 HZ3 LYS 140 HZ3 LYS 140 2.201 21.086 24.244 1115 H ILE 141 H ILE 141 -0.363 17.669 23.472 1116 HA ILE 141 HA ILE 141 -0.986 15.741 21.348 1117 HB ILE 141 HB ILE 141 -2.950 16.017 22.822 1118 HG12 ILE 141 HG12 ILE 141 -3.283 17.158 20.040 1119 HG13 ILE 141 HG13 ILE 141 -3.271 15.448 20.467 1120 HG21 ILE 141 HG21 ILE 141 -2.890 18.890 21.930 1121 HG22 ILE 141 HG22 ILE 141 -2.590 18.294 23.561 1122 HG23 ILE 141 HG23 ILE 141 -4.192 18.125 22.842 1123 HD11 ILE 141 HD11 ILE 141 -5.307 15.784 21.792 1124 HD12 ILE 141 HD12 ILE 141 -5.530 16.213 20.096 1125 HD13 ILE 141 HD13 ILE 141 -5.329 17.479 21.306 1126 H PHE 142 H PHE 142 -0.494 16.382 19.416 1127 HA PHE 142 HA PHE 142 -0.133 19.262 18.907 1128 HB2 PHE 142 HB2 PHE 142 1.321 16.891 17.709 1129 HB3 PHE 142 HB3 PHE 142 1.464 18.535 17.104 1130 HD1 PHE 142 HD1 PHE 142 2.880 20.101 18.141 1131 HD2 PHE 142 HD2 PHE 142 2.181 16.333 19.987 1132 HE1 PHE 142 HE1 PHE 142 4.745 20.518 19.689 1133 HE2 PHE 142 HE2 PHE 142 4.041 16.743 21.536 1134 HZ PHE 142 HZ PHE 142 5.327 18.835 21.390 1135 H VAL 143 H VAL 143 -1.832 19.973 17.753 1136 HA VAL 143 HA VAL 143 -3.051 18.189 15.778 1137 HB VAL 143 HB VAL 143 -3.896 20.979 16.536 1138 HG11 VAL 143 HG11 VAL 143 -4.665 20.325 14.338 1139 HG12 VAL 143 HG12 VAL 143 -6.018 20.371 15.468 1140 HG13 VAL 143 HG13 VAL 143 -5.317 18.824 14.993 1141 HG21 VAL 143 HG21 VAL 143 -4.064 19.505 18.464 1142 HG22 VAL 143 HG22 VAL 143 -4.986 18.344 17.504 1143 HG23 VAL 143 HG23 VAL 143 -5.665 19.934 17.858 1144 H ALA 144 H ALA 144 -1.628 18.093 14.180 1145 HA ALA 144 HA ALA 144 -0.613 20.565 12.999 1146 HB1 ALA 144 HB1 ALA 144 0.858 19.104 11.702 1147 HB2 ALA 144 HB2 ALA 144 0.077 17.687 12.403 1148 HB3 ALA 144 HB3 ALA 144 1.004 18.779 13.430 1149 H THR 145 H THR 145 -2.133 21.443 11.704 1150 HA THR 145 HA THR 145 -3.861 19.734 10.122 1151 HB THR 145 HB THR 145 -3.804 22.705 9.749 1152 HG1 THR 145 HG1 THR 145 -4.731 21.334 12.075 1153 HG21 THR 145 HG21 THR 145 -6.011 20.639 9.984 1154 HG22 THR 145 HG22 THR 145 -5.453 21.402 8.492 1155 HG23 THR 145 HG23 THR 145 -6.275 22.360 9.723 1156 H GLU 146 H GLU 146 -3.961 19.827 7.823 1157 HA GLU 146 HA GLU 146 -1.530 19.541 6.522 1158 HB2 GLU 146 HB2 GLU 146 -3.689 18.610 5.747 1159 HB3 GLU 146 HB3 GLU 146 -4.216 20.228 5.316 1160 HG2 GLU 146 HG2 GLU 146 -3.549 19.448 3.283 1161 HG3 GLU 146 HG3 GLU 146 -2.061 20.208 3.831 1162 H VAL 147 H VAL 147 -0.280 20.839 5.257 1163 HA VAL 147 HA VAL 147 -0.783 23.711 5.400 1164 HB VAL 147 HB VAL 147 1.600 22.299 4.162 1165 HG11 VAL 147 HG11 VAL 147 1.210 24.658 3.489 1166 HG12 VAL 147 HG12 VAL 147 2.713 24.426 4.384 1167 HG13 VAL 147 HG13 VAL 147 1.305 25.117 5.193 1168 HG21 VAL 147 HG21 VAL 147 2.783 22.740 6.252 1169 HG22 VAL 147 HG22 VAL 147 1.375 21.713 6.540 1170 HG23 VAL 147 HG23 VAL 147 1.312 23.431 6.937 1171 H LYS 148 H LYS 148 -1.071 24.978 3.541 1172 HA LYS 148 HA LYS 148 -2.833 24.074 1.707 1173 HB2 LYS 148 HB2 LYS 148 -1.948 26.029 0.225 1174 HB3 LYS 148 HB3 LYS 148 -2.740 26.351 1.756 1175 HG2 LYS 148 HG2 LYS 148 -0.923 27.780 1.774 1176 HG3 LYS 148 HG3 LYS 148 -0.371 26.417 2.743 1177 HD2 LYS 148 HD2 LYS 148 1.357 27.196 1.183 1178 HD3 LYS 148 HD3 LYS 148 0.862 25.537 0.840 1179 HE2 LYS 148 HE2 LYS 148 -0.631 26.393 -0.935 1180 HE3 LYS 148 HE3 LYS 148 -0.030 28.020 -0.620 1181 HZ1 LYS 148 HZ1 LYS 148 1.610 25.715 -1.519 1182 HZ2 LYS 148 HZ2 LYS 148 2.183 27.288 -1.233 1183 HZ3 LYS 148 HZ3 LYS 148 1.091 26.999 -2.495 1184 H1 JPT 201 H7 UNK 201 -2.877 8.310 27.413 1185 H11 JPT 201 H11 UNK 201 -3.503 5.873 28.105 1186 H12 JPT 201 H12 UNK 201 -1.209 4.007 24.531 1187 H13 JPT 201 H13 UNK 201 -1.484 6.593 24.336 1188 H62 JPT 201 H62 UNK 201 -5.579 6.334 22.903 1189 H61 JPT 201 H61 UNK 201 -7.052 7.316 22.754 1190 H3 JPT 201 H3 UNK 201 -4.379 8.123 21.968 1191 H4 JPT 201 H4 UNK 201 -5.282 10.583 27.721 1192 H2 JPT 201 H2 UNK 201 -7.446 9.207 24.115 Start of MODEL 8 1 HA MET 1 HA MET 1 -4.633 -0.647 -2.443 2 HB2 MET 1 HB2 MET 1 -2.501 -0.815 -0.298 3 HB3 MET 1 HB3 MET 1 -3.522 0.581 -0.601 4 HG2 MET 1 HG2 MET 1 -5.500 -0.709 -0.040 5 HG3 MET 1 HG3 MET 1 -4.501 -2.135 0.229 6 HE1 MET 1 HE1 MET 1 -5.510 -2.487 2.665 7 HE2 MET 1 HE2 MET 1 -6.565 -1.107 2.366 8 HE3 MET 1 HE3 MET 1 -5.626 -1.191 3.856 9 H GLN 2 H GLN 2 -3.748 -0.500 -4.616 10 HA GLN 2 HA GLN 2 -1.020 0.553 -4.735 11 HB2 GLN 2 HB2 GLN 2 -2.813 -0.288 -7.016 12 HB3 GLN 2 HB3 GLN 2 -1.116 0.148 -7.137 13 HG2 GLN 2 HG2 GLN 2 -2.280 -2.266 -5.776 14 HG3 GLN 2 HG3 GLN 2 -1.317 -2.228 -7.251 15 HE21 GLN 2 HE21 GLN 2 0.902 -1.760 -7.101 16 HE22 GLN 2 HE22 GLN 2 1.769 -1.997 -5.615 17 H ALA 3 H ALA 3 -3.885 1.756 -4.213 18 HA ALA 3 HA ALA 3 -3.215 4.394 -5.090 19 HB1 ALA 3 HB1 ALA 3 -5.625 3.081 -6.349 20 HB2 ALA 3 HB2 ALA 3 -4.143 3.544 -7.185 21 HB3 ALA 3 HB3 ALA 3 -5.183 4.782 -6.484 22 H LYS 4 H LYS 4 -4.385 5.950 -4.011 23 HA LYS 4 HA LYS 4 -5.335 6.821 -2.162 24 HB2 LYS 4 HB2 LYS 4 -7.367 5.060 -3.374 25 HB3 LYS 4 HB3 LYS 4 -7.748 5.813 -1.830 26 HG2 LYS 4 HG2 LYS 4 -6.934 7.235 -4.359 27 HG3 LYS 4 HG3 LYS 4 -8.572 7.140 -3.709 28 HD2 LYS 4 HD2 LYS 4 -6.206 8.415 -2.330 29 HD3 LYS 4 HD3 LYS 4 -7.473 9.286 -3.193 30 HE2 LYS 4 HE2 LYS 4 -7.941 7.498 -0.812 31 HE3 LYS 4 HE3 LYS 4 -7.770 9.250 -0.726 32 HZ1 LYS 4 HZ1 LYS 4 -10.087 8.640 -0.748 33 HZ2 LYS 4 HZ2 LYS 4 -9.895 7.767 -2.191 34 HZ3 LYS 4 HZ3 LYS 4 -9.709 9.450 -2.188 35 HA PRO 5 HA PRO 5 -3.935 3.611 0.699 36 HB2 PRO 5 HB2 PRO 5 -2.742 5.323 2.420 37 HB3 PRO 5 HB3 PRO 5 -1.971 4.763 0.934 38 HG2 PRO 5 HG2 PRO 5 -3.330 7.358 1.501 39 HG3 PRO 5 HG3 PRO 5 -1.866 7.041 0.555 40 HD2 PRO 5 HD2 PRO 5 -4.333 7.484 -0.544 41 HD3 PRO 5 HD3 PRO 5 -3.054 6.544 -1.336 42 H GLN 6 H GLN 6 -4.699 2.946 2.674 43 HA GLN 6 HA GLN 6 -6.473 4.620 4.232 44 HB2 GLN 6 HB2 GLN 6 -8.371 3.015 3.987 45 HB3 GLN 6 HB3 GLN 6 -8.002 3.901 2.512 46 HG2 GLN 6 HG2 GLN 6 -6.709 1.936 1.725 47 HG3 GLN 6 HG3 GLN 6 -7.254 1.061 3.154 48 HE21 GLN 6 HE21 GLN 6 -8.203 2.472 0.123 49 HE22 GLN 6 HE22 GLN 6 -9.735 1.670 0.000 50 H ILE 7 H ILE 7 -7.666 2.877 5.812 51 HA ILE 7 HA ILE 7 -5.401 1.518 7.076 52 HB ILE 7 HB ILE 7 -7.980 2.616 8.177 53 HG12 ILE 7 HG12 ILE 7 -5.229 3.260 9.141 54 HG13 ILE 7 HG13 ILE 7 -5.785 3.967 7.629 55 HG21 ILE 7 HG21 ILE 7 -7.558 0.519 9.321 56 HG22 ILE 7 HG22 ILE 7 -7.212 1.874 10.395 57 HG23 ILE 7 HG23 ILE 7 -5.892 1.002 9.624 58 HD11 ILE 7 HD11 ILE 7 -7.167 4.236 10.284 59 HD12 ILE 7 HD12 ILE 7 -7.646 4.997 8.765 60 HD13 ILE 7 HD13 ILE 7 -6.123 5.443 9.535 61 HA PRO 8 HA PRO 8 -7.523 -2.263 5.972 62 HB2 PRO 8 HB2 PRO 8 -5.508 -3.924 6.603 63 HB3 PRO 8 HB3 PRO 8 -5.465 -2.923 5.147 64 HG2 PRO 8 HG2 PRO 8 -4.120 -2.496 7.781 65 HG3 PRO 8 HG3 PRO 8 -3.487 -2.241 6.145 66 HD2 PRO 8 HD2 PRO 8 -4.459 -0.236 7.752 67 HD3 PRO 8 HD3 PRO 8 -4.428 -0.164 5.979 68 H LYS 9 H LYS 9 -8.037 -4.273 7.121 69 HA LYS 9 HA LYS 9 -8.588 -3.743 9.912 70 HB2 LYS 9 HB2 LYS 9 -9.388 -5.950 8.041 71 HB3 LYS 9 HB3 LYS 9 -9.741 -6.017 9.759 72 HG2 LYS 9 HG2 LYS 9 -11.678 -5.213 8.631 73 HG3 LYS 9 HG3 LYS 9 -10.970 -3.871 9.526 74 HD2 LYS 9 HD2 LYS 9 -9.903 -3.086 7.441 75 HD3 LYS 9 HD3 LYS 9 -10.703 -4.392 6.566 76 HE2 LYS 9 HE2 LYS 9 -11.940 -2.338 6.280 77 HE3 LYS 9 HE3 LYS 9 -12.887 -3.473 7.236 78 HZ1 LYS 9 HZ1 LYS 9 -11.274 -1.257 8.380 79 HZ2 LYS 9 HZ2 LYS 9 -12.321 -2.282 9.228 80 HZ3 LYS 9 HZ3 LYS 9 -12.939 -1.182 8.095 81 H ASP 10 H ASP 10 -6.314 -5.370 8.001 82 HA ASP 10 HA ASP 10 -5.252 -7.015 10.119 83 HB2 ASP 10 HB2 ASP 10 -4.856 -7.797 7.890 84 HB3 ASP 10 HB3 ASP 10 -4.194 -6.241 7.394 85 H LYS 11 H LYS 11 -3.893 -6.385 11.652 86 HA LYS 11 HA LYS 11 -2.858 -3.647 11.498 87 HB2 LYS 11 HB2 LYS 11 -2.800 -3.701 13.948 88 HB3 LYS 11 HB3 LYS 11 -4.411 -4.052 13.337 89 HG2 LYS 11 HG2 LYS 11 -4.020 -6.436 13.687 90 HG3 LYS 11 HG3 LYS 11 -2.415 -6.071 14.318 91 HD2 LYS 11 HD2 LYS 11 -3.477 -4.707 16.099 92 HD3 LYS 11 HD3 LYS 11 -5.061 -5.219 15.503 93 HE2 LYS 11 HE2 LYS 11 -4.447 -7.555 15.921 94 HE3 LYS 11 HE3 LYS 11 -2.879 -7.030 16.534 95 HZ1 LYS 11 HZ1 LYS 11 -5.544 -6.459 17.712 96 HZ2 LYS 11 HZ2 LYS 11 -4.098 -5.749 18.252 97 HZ3 LYS 11 HZ3 LYS 11 -4.315 -7.428 18.371 98 H SER 12 H SER 12 -1.684 -6.257 10.475 99 HA SER 12 HA SER 12 0.716 -6.507 12.121 100 HB2 SER 12 HB2 SER 12 0.120 -8.058 9.609 101 HB3 SER 12 HB3 SER 12 1.118 -8.533 10.982 102 HG SER 12 HG SER 12 -1.649 -8.615 10.651 103 H LYS 13 H LYS 13 -0.325 -4.666 9.558 104 HA LYS 13 HA LYS 13 2.393 -4.462 8.437 105 HB2 LYS 13 HB2 LYS 13 1.420 -3.815 6.316 106 HB3 LYS 13 HB3 LYS 13 0.735 -5.351 6.829 107 HG2 LYS 13 HG2 LYS 13 -1.292 -4.267 7.538 108 HG3 LYS 13 HG3 LYS 13 -0.605 -2.680 7.191 109 HD2 LYS 13 HD2 LYS 13 -0.864 -4.783 5.074 110 HD3 LYS 13 HD3 LYS 13 -2.202 -3.709 5.469 111 HE2 LYS 13 HE2 LYS 13 -1.143 -2.671 3.662 112 HE3 LYS 13 HE3 LYS 13 -0.539 -1.802 5.070 113 HZ1 LYS 13 HZ1 LYS 13 0.936 -4.060 3.840 114 HZ2 LYS 13 HZ2 LYS 13 1.521 -2.899 4.932 115 HZ3 LYS 13 HZ3 LYS 13 1.149 -2.454 3.342 116 H VAL 14 H VAL 14 2.155 -2.213 6.978 117 HA VAL 14 HA VAL 14 1.734 -0.132 9.028 118 HB VAL 14 HB VAL 14 3.617 -0.069 6.656 119 HG11 VAL 14 HG11 VAL 14 3.320 1.832 8.974 120 HG12 VAL 14 HG12 VAL 14 2.843 2.144 7.305 121 HG13 VAL 14 HG13 VAL 14 4.547 1.930 7.712 122 HG21 VAL 14 HG21 VAL 14 4.228 -0.485 9.579 123 HG22 VAL 14 HG22 VAL 14 5.421 -0.288 8.296 124 HG23 VAL 14 HG23 VAL 14 4.360 -1.697 8.304 125 H ALA 15 H ALA 15 0.451 1.605 8.519 126 HA ALA 15 HA ALA 15 -0.974 1.489 5.966 127 HB1 ALA 15 HB1 ALA 15 -1.488 3.254 8.358 128 HB2 ALA 15 HB2 ALA 15 -2.278 1.707 8.047 129 HB3 ALA 15 HB3 ALA 15 -2.532 3.064 6.948 130 H GLY 16 H GLY 16 1.186 3.529 7.793 131 HA2 GLY 16 HA2 GLY 16 2.173 4.821 5.460 132 HA3 GLY 16 HA3 GLY 16 1.130 5.898 6.388 133 H TYR 17 H TYR 17 3.787 6.542 6.068 134 HA TYR 17 HA TYR 17 4.981 5.811 8.660 135 HB2 TYR 17 HB2 TYR 17 6.313 6.936 6.184 136 HB3 TYR 17 HB3 TYR 17 7.134 6.537 7.687 137 HD1 TYR 17 HD1 TYR 17 7.780 4.306 8.173 138 HD2 TYR 17 HD2 TYR 17 5.308 5.109 4.809 139 HE1 TYR 17 HE1 TYR 17 8.121 2.005 7.382 140 HE2 TYR 17 HE2 TYR 17 5.639 2.814 4.006 141 HH TYR 17 HH TYR 17 7.110 0.371 5.960 142 H ILE 18 H ILE 18 5.519 7.367 10.106 143 HA ILE 18 HA ILE 18 4.601 10.078 9.468 144 HB ILE 18 HB ILE 18 3.516 9.083 11.421 145 HG12 ILE 18 HG12 ILE 18 4.032 10.860 13.078 146 HG13 ILE 18 HG13 ILE 18 5.444 11.305 12.122 147 HG21 ILE 18 HG21 ILE 18 4.757 8.572 13.462 148 HG22 ILE 18 HG22 ILE 18 6.271 8.899 12.618 149 HG23 ILE 18 HG23 ILE 18 5.261 7.544 12.120 150 HD11 ILE 18 HD11 ILE 18 4.003 11.886 10.251 151 HD12 ILE 18 HD12 ILE 18 3.565 12.792 11.701 152 HD13 ILE 18 HD13 ILE 18 2.585 11.416 11.189 153 H GLU 19 H GLU 19 6.096 11.499 8.978 154 HA GLU 19 HA GLU 19 8.803 11.068 10.025 155 HB2 GLU 19 HB2 GLU 19 8.188 12.353 7.370 156 HB3 GLU 19 HB3 GLU 19 9.745 11.793 7.970 157 HG2 GLU 19 HG2 GLU 19 8.884 9.476 7.921 158 HG3 GLU 19 HG3 GLU 19 7.396 10.082 7.192 159 H ILE 20 H ILE 20 9.270 12.517 11.442 160 HA ILE 20 HA ILE 20 8.625 15.334 10.892 161 HB ILE 20 HB ILE 20 8.701 14.093 13.651 162 HG12 ILE 20 HG12 ILE 20 6.264 15.041 12.132 163 HG13 ILE 20 HG13 ILE 20 6.751 13.353 12.224 164 HG21 ILE 20 HG21 ILE 20 9.336 16.436 13.615 165 HG22 ILE 20 HG22 ILE 20 7.745 16.254 14.353 166 HG23 ILE 20 HG23 ILE 20 7.887 16.837 12.696 167 HD11 ILE 20 HD11 ILE 20 6.485 13.404 14.640 168 HD12 ILE 20 HD12 ILE 20 4.994 13.862 13.815 169 HD13 ILE 20 HD13 ILE 20 6.011 15.101 14.554 170 HA PRO 21 HA PRO 21 13.111 14.730 10.676 171 HB2 PRO 21 HB2 PRO 21 13.527 17.408 9.960 172 HB3 PRO 21 HB3 PRO 21 13.339 16.047 8.853 173 HG2 PRO 21 HG2 PRO 21 11.341 18.071 9.726 174 HG3 PRO 21 HG3 PRO 21 11.510 17.254 8.164 175 HD2 PRO 21 HD2 PRO 21 9.594 16.576 9.919 176 HD3 PRO 21 HD3 PRO 21 10.387 15.368 8.887 177 H ASP 22 H ASP 22 11.629 17.584 12.209 178 HA ASP 22 HA ASP 22 13.974 18.230 13.686 179 HB2 ASP 22 HB2 ASP 22 11.365 19.380 13.293 180 HB3 ASP 22 HB3 ASP 22 11.782 19.391 15.005 181 H ALA 23 H ALA 23 11.596 15.860 14.138 182 HA ALA 23 HA ALA 23 12.276 15.681 16.997 183 HB1 ALA 23 HB1 ALA 23 9.913 14.473 15.559 184 HB2 ALA 23 HB2 ALA 23 9.875 15.938 16.538 185 HB3 ALA 23 HB3 ALA 23 10.238 14.384 17.290 186 H ASP 24 H ASP 24 13.485 14.629 14.295 187 HA ASP 24 HA ASP 24 14.618 12.860 13.527 188 HB2 ASP 24 HB2 ASP 24 14.568 12.065 16.439 189 HB3 ASP 24 HB3 ASP 24 15.595 11.376 15.202 190 H ILE 25 H ILE 25 11.709 12.734 13.605 191 HA ILE 25 HA ILE 25 11.170 9.920 14.167 192 HB ILE 25 HB ILE 25 9.325 12.246 13.629 193 HG12 ILE 25 HG12 ILE 25 9.835 10.541 16.079 194 HG13 ILE 25 HG13 ILE 25 10.343 12.212 15.848 195 HG21 ILE 25 HG21 ILE 25 8.347 10.256 12.643 196 HG22 ILE 25 HG22 ILE 25 7.473 10.686 14.114 197 HG23 ILE 25 HG23 ILE 25 8.626 9.350 14.129 198 HD11 ILE 25 HD11 ILE 25 8.020 12.922 15.804 199 HD12 ILE 25 HD12 ILE 25 8.386 12.045 17.289 200 HD13 ILE 25 HD13 ILE 25 7.495 11.251 15.992 201 H LYS 26 H LYS 26 11.273 8.508 12.620 202 HA LYS 26 HA LYS 26 10.279 9.122 9.933 203 HB2 LYS 26 HB2 LYS 26 12.973 7.958 10.653 204 HB3 LYS 26 HB3 LYS 26 12.244 7.703 9.076 205 HG2 LYS 26 HG2 LYS 26 12.611 10.468 10.152 206 HG3 LYS 26 HG3 LYS 26 13.947 9.610 9.378 207 HD2 LYS 26 HD2 LYS 26 11.246 10.143 8.137 208 HD3 LYS 26 HD3 LYS 26 12.725 11.046 7.800 209 HE2 LYS 26 HE2 LYS 26 13.785 8.986 6.994 210 HE3 LYS 26 HE3 LYS 26 12.289 8.106 7.306 211 HZ1 LYS 26 HZ1 LYS 26 11.163 9.412 5.664 212 HZ2 LYS 26 HZ2 LYS 26 12.564 8.774 4.960 213 HZ3 LYS 26 HZ3 LYS 26 12.523 10.402 5.435 214 H GLU 27 H GLU 27 8.806 7.879 11.789 215 HA GLU 27 HA GLU 27 9.470 5.018 11.828 216 HB2 GLU 27 HB2 GLU 27 7.813 6.724 13.685 217 HB3 GLU 27 HB3 GLU 27 7.992 4.982 13.845 218 HG2 GLU 27 HG2 GLU 27 10.314 6.888 13.876 219 HG3 GLU 27 HG3 GLU 27 9.459 6.367 15.328 220 HA PRO 28 HA PRO 28 5.728 4.064 9.629 221 HB2 PRO 28 HB2 PRO 28 5.463 1.467 10.281 222 HB3 PRO 28 HB3 PRO 28 6.746 2.037 9.210 223 HG2 PRO 28 HG2 PRO 28 6.876 1.313 12.104 224 HG3 PRO 28 HG3 PRO 28 8.043 0.984 10.810 225 HD2 PRO 28 HD2 PRO 28 8.289 3.024 12.639 226 HD3 PRO 28 HD3 PRO 28 9.039 3.027 11.031 227 H VAL 29 H VAL 29 3.602 4.312 10.045 228 HA VAL 29 HA VAL 29 2.686 4.146 12.815 229 HB VAL 29 HB VAL 29 1.231 5.151 10.359 230 HG11 VAL 29 HG11 VAL 29 -0.277 4.342 12.125 231 HG12 VAL 29 HG12 VAL 29 -0.384 6.088 11.911 232 HG13 VAL 29 HG13 VAL 29 0.511 5.421 13.276 233 HG21 VAL 29 HG21 VAL 29 2.616 6.656 12.572 234 HG22 VAL 29 HG22 VAL 29 1.634 7.383 11.300 235 HG23 VAL 29 HG23 VAL 29 3.135 6.554 10.890 236 H TYR 30 H TYR 30 1.614 2.454 13.558 237 HA TYR 30 HA TYR 30 0.760 0.413 11.659 238 HB2 TYR 30 HB2 TYR 30 1.170 0.317 14.652 239 HB3 TYR 30 HB3 TYR 30 0.570 -1.036 13.695 240 HD1 TYR 30 HD1 TYR 30 2.089 -1.610 11.590 241 HD2 TYR 30 HD2 TYR 30 3.437 0.381 15.099 242 HE1 TYR 30 HE1 TYR 30 4.393 -2.293 11.078 243 HE2 TYR 30 HE2 TYR 30 5.749 -0.293 14.598 244 HH TYR 30 HH TYR 30 6.712 -1.502 11.611 245 HA PRO 31 HA PRO 31 -3.419 1.766 12.319 246 HB2 PRO 31 HB2 PRO 31 -4.544 0.182 10.473 247 HB3 PRO 31 HB3 PRO 31 -3.554 1.574 10.016 248 HG2 PRO 31 HG2 PRO 31 -2.839 -1.329 10.086 249 HG3 PRO 31 HG3 PRO 31 -2.425 -0.104 8.874 250 HD2 PRO 31 HD2 PRO 31 -0.729 -0.943 10.869 251 HD3 PRO 31 HD3 PRO 31 -0.627 0.637 10.069 252 H GLY 32 H GLY 32 -5.403 0.853 13.126 253 HA2 GLY 32 HA2 GLY 32 -6.416 -1.526 13.307 254 HA3 GLY 32 HA3 GLY 32 -5.036 -1.778 14.361 255 HA PRO 33 HA PRO 33 -8.553 -0.292 16.947 256 HB2 PRO 33 HB2 PRO 33 -8.712 -2.377 18.596 257 HB3 PRO 33 HB3 PRO 33 -9.360 -2.460 16.956 258 HG2 PRO 33 HG2 PRO 33 -6.779 -3.540 18.017 259 HG3 PRO 33 HG3 PRO 33 -7.938 -4.301 16.914 260 HD2 PRO 33 HD2 PRO 33 -5.633 -3.022 16.119 261 HD3 PRO 33 HD3 PRO 33 -7.059 -3.259 15.090 262 H ALA 34 H ALA 34 -5.333 -0.653 17.327 263 HA ALA 34 HA ALA 34 -3.766 0.009 18.819 264 HB1 ALA 34 HB1 ALA 34 -4.333 1.656 20.515 265 HB2 ALA 34 HB2 ALA 34 -6.051 1.345 20.265 266 HB3 ALA 34 HB3 ALA 34 -5.088 2.064 18.975 267 H THR 35 H THR 35 -3.244 -2.036 19.499 268 HA THR 35 HA THR 35 -4.494 -2.898 22.011 269 HB THR 35 HB THR 35 -3.735 -5.240 21.248 270 HG1 THR 35 HG1 THR 35 -2.520 -4.853 19.467 271 HG21 THR 35 HG21 THR 35 -5.804 -5.586 19.987 272 HG22 THR 35 HG22 THR 35 -5.964 -3.843 19.768 273 HG23 THR 35 HG23 THR 35 -6.081 -4.542 21.383 274 HA PRO 36 HA PRO 36 -0.892 -2.738 24.400 275 HB2 PRO 36 HB2 PRO 36 -0.963 -5.716 24.634 276 HB3 PRO 36 HB3 PRO 36 -0.800 -4.491 25.897 277 HG2 PRO 36 HG2 PRO 36 -3.128 -5.699 25.495 278 HG3 PRO 36 HG3 PRO 36 -3.060 -3.965 25.862 279 HD2 PRO 36 HD2 PRO 36 -3.605 -5.335 23.276 280 HD3 PRO 36 HD3 PRO 36 -4.229 -3.793 23.893 281 H GLU 37 H GLU 37 -0.605 -5.688 22.380 282 HA GLU 37 HA GLU 37 2.222 -5.670 22.486 283 HB2 GLU 37 HB2 GLU 37 1.717 -7.202 20.290 284 HB3 GLU 37 HB3 GLU 37 1.716 -7.780 21.945 285 HG2 GLU 37 HG2 GLU 37 -0.221 -8.616 20.860 286 HG3 GLU 37 HG3 GLU 37 -0.734 -7.405 22.025 287 H GLN 38 H GLN 38 -0.078 -4.326 20.220 288 HA GLN 38 HA GLN 38 1.862 -3.576 18.267 289 HB2 GLN 38 HB2 GLN 38 -0.508 -3.813 17.703 290 HB3 GLN 38 HB3 GLN 38 -0.916 -2.495 18.792 291 HG2 GLN 38 HG2 GLN 38 0.267 -0.924 17.405 292 HG3 GLN 38 HG3 GLN 38 0.834 -2.224 16.358 293 HE21 GLN 38 HE21 GLN 38 -0.550 -3.099 14.850 294 HE22 GLN 38 HE22 GLN 38 -2.080 -2.390 14.464 295 H LEU 39 H LEU 39 0.454 -2.005 21.089 296 HA LEU 39 HA LEU 39 1.688 0.535 20.601 297 HB2 LEU 39 HB2 LEU 39 0.386 -0.671 23.035 298 HB3 LEU 39 HB3 LEU 39 1.063 0.945 23.025 299 HG LEU 39 HG LEU 39 -1.150 0.030 21.187 300 HD11 LEU 39 HD11 LEU 39 -2.621 1.364 22.627 301 HD12 LEU 39 HD12 LEU 39 -1.277 1.635 23.736 302 HD13 LEU 39 HD13 LEU 39 -1.909 0.006 23.497 303 HD21 LEU 39 HD21 LEU 39 -1.420 2.422 20.759 304 HD22 LEU 39 HD22 LEU 39 0.195 1.873 20.310 305 HD23 LEU 39 HD23 LEU 39 -0.047 2.768 21.810 306 H ASN 40 H ASN 40 2.737 -2.425 21.916 307 HA ASN 40 HA ASN 40 4.889 -1.318 23.477 308 HB2 ASN 40 HB2 ASN 40 4.022 -4.090 22.741 309 HB3 ASN 40 HB3 ASN 40 5.627 -3.826 23.418 310 HD21 ASN 40 HD21 ASN 40 3.312 -5.256 24.518 311 HD22 ASN 40 HD22 ASN 40 2.988 -4.510 26.040 312 H ARG 41 H ARG 41 4.431 -2.465 20.219 313 HA ARG 41 HA ARG 41 7.304 -2.414 19.727 314 HB2 ARG 41 HB2 ARG 41 6.688 -3.210 17.438 315 HB3 ARG 41 HB3 ARG 41 6.200 -4.286 18.737 316 HG2 ARG 41 HG2 ARG 41 3.916 -3.317 18.594 317 HG3 ARG 41 HG3 ARG 41 4.444 -2.408 17.176 318 HD2 ARG 41 HD2 ARG 41 4.536 -5.411 17.434 319 HD3 ARG 41 HD3 ARG 41 3.260 -4.511 16.617 320 HE ARG 41 HE ARG 41 5.778 -3.790 15.550 321 HH11 ARG 41 HH11 ARG 41 3.585 -6.526 15.635 322 HH12 ARG 41 HH12 ARG 41 3.995 -7.064 14.033 323 HH21 ARG 41 HH21 ARG 41 6.328 -4.504 13.468 324 HH22 ARG 41 HH22 ARG 41 5.546 -5.907 12.791 325 H GLY 42 H GLY 42 4.388 -0.613 18.903 326 HA2 GLY 42 HA2 GLY 42 6.086 1.621 18.106 327 HA3 GLY 42 HA3 GLY 42 4.991 1.000 16.879 328 H VAL 43 H VAL 43 3.573 2.637 16.691 329 HA VAL 43 HA VAL 43 1.938 3.222 19.064 330 HB VAL 43 HB VAL 43 1.493 5.494 18.129 331 HG11 VAL 43 HG11 VAL 43 3.590 6.498 18.889 332 HG12 VAL 43 HG12 VAL 43 4.376 4.921 18.801 333 HG13 VAL 43 HG13 VAL 43 3.073 5.193 19.957 334 HG21 VAL 43 HG21 VAL 43 2.104 5.123 15.818 335 HG22 VAL 43 HG22 VAL 43 3.775 4.807 16.282 336 HG23 VAL 43 HG23 VAL 43 3.093 6.420 16.491 337 H SER 44 H SER 44 -0.280 4.000 18.423 338 HA SER 44 HA SER 44 -1.170 2.584 16.006 339 HB2 SER 44 HB2 SER 44 -2.497 2.403 18.718 340 HB3 SER 44 HB3 SER 44 -2.948 1.525 17.256 341 HG SER 44 HG SER 44 -1.294 0.202 17.509 342 H PHE 45 H PHE 45 -3.543 3.041 15.581 343 HA PHE 45 HA PHE 45 -4.047 5.871 15.697 344 HB2 PHE 45 HB2 PHE 45 -5.473 3.518 14.484 345 HB3 PHE 45 HB3 PHE 45 -6.262 5.088 14.582 346 HD1 PHE 45 HD1 PHE 45 -4.608 3.052 12.424 347 HD2 PHE 45 HD2 PHE 45 -4.475 7.055 13.855 348 HE1 PHE 45 HE1 PHE 45 -3.482 3.750 10.350 349 HE2 PHE 45 HE2 PHE 45 -3.352 7.765 11.786 350 HZ PHE 45 HZ PHE 45 -2.854 6.117 10.031 351 H ALA 46 H ALA 46 -6.278 6.630 16.386 352 HA ALA 46 HA ALA 46 -6.584 6.133 19.132 353 HB1 ALA 46 HB1 ALA 46 -8.557 7.419 17.254 354 HB2 ALA 46 HB2 ALA 46 -7.234 8.241 18.081 355 HB3 ALA 46 HB3 ALA 46 -8.559 7.544 19.013 356 H GLU 47 H GLU 47 -8.624 5.119 16.388 357 HA GLU 47 HA GLU 47 -9.442 2.813 17.963 358 HB2 GLU 47 HB2 GLU 47 -11.804 3.127 17.529 359 HB3 GLU 47 HB3 GLU 47 -11.169 4.518 18.395 360 HG2 GLU 47 HG2 GLU 47 -11.165 5.838 16.401 361 HG3 GLU 47 HG3 GLU 47 -11.591 4.435 15.418 362 H GLU 48 H GLU 48 -10.812 1.324 16.603 363 HA GLU 48 HA GLU 48 -9.366 0.592 14.293 364 HB2 GLU 48 HB2 GLU 48 -10.529 -0.996 15.756 365 HB3 GLU 48 HB3 GLU 48 -12.075 -0.312 15.282 366 HG2 GLU 48 HG2 GLU 48 -11.518 -1.000 12.923 367 HG3 GLU 48 HG3 GLU 48 -10.165 -1.904 13.606 368 H ASN 49 H ASN 49 -12.110 2.645 14.754 369 HA ASN 49 HA ASN 49 -13.102 2.340 12.051 370 HB2 ASN 49 HB2 ASN 49 -14.571 2.697 14.076 371 HB3 ASN 49 HB3 ASN 49 -13.972 4.351 14.138 372 HD21 ASN 49 HD21 ASN 49 -15.845 2.050 12.316 373 HD22 ASN 49 HD22 ASN 49 -16.718 3.208 11.373 374 H GLU 50 H GLU 50 -10.449 3.750 13.098 375 HA GLU 50 HA GLU 50 -10.485 6.405 12.222 376 HB2 GLU 50 HB2 GLU 50 -8.678 5.254 13.557 377 HB3 GLU 50 HB3 GLU 50 -8.137 4.510 12.059 378 HG2 GLU 50 HG2 GLU 50 -6.778 6.427 12.569 379 HG3 GLU 50 HG3 GLU 50 -7.730 6.736 11.117 380 H SER 51 H SER 51 -9.839 7.379 10.240 381 HA SER 51 HA SER 51 -9.618 5.590 7.931 382 HB2 SER 51 HB2 SER 51 -11.615 7.856 8.135 383 HB3 SER 51 HB3 SER 51 -11.293 6.909 6.681 384 HG SER 51 HG SER 51 -11.882 5.446 8.961 385 H LEU 52 H LEU 52 -8.000 6.184 6.661 386 HA LEU 52 HA LEU 52 -6.503 8.555 7.230 387 HB2 LEU 52 HB2 LEU 52 -6.201 6.430 5.114 388 HB3 LEU 52 HB3 LEU 52 -5.092 7.775 5.292 389 HG LEU 52 HG LEU 52 -5.620 5.665 7.385 390 HD11 LEU 52 HD11 LEU 52 -4.413 4.806 5.429 391 HD12 LEU 52 HD12 LEU 52 -3.386 4.870 6.861 392 HD13 LEU 52 HD13 LEU 52 -3.225 6.099 5.606 393 HD21 LEU 52 HD21 LEU 52 -5.045 7.807 8.372 394 HD22 LEU 52 HD22 LEU 52 -3.646 7.942 7.307 395 HD23 LEU 52 HD23 LEU 52 -3.700 6.676 8.531 396 H ASP 53 H ASP 53 -9.072 7.825 5.124 397 HA ASP 53 HA ASP 53 -8.357 9.961 3.264 398 HB2 ASP 53 HB2 ASP 53 -9.259 7.669 2.541 399 HB3 ASP 53 HB3 ASP 53 -10.825 8.246 3.103 400 H ASP 54 H ASP 54 -9.509 10.043 6.178 401 HA ASP 54 HA ASP 54 -11.605 12.013 5.587 402 HB2 ASP 54 HB2 ASP 54 -11.872 10.133 7.381 403 HB3 ASP 54 HB3 ASP 54 -10.846 11.172 8.369 404 H GLN 55 H GLN 55 -11.450 13.889 7.388 405 HA GLN 55 HA GLN 55 -8.799 15.032 6.928 406 HB2 GLN 55 HB2 GLN 55 -9.794 17.175 7.542 407 HB3 GLN 55 HB3 GLN 55 -10.663 16.416 6.222 408 HG2 GLN 55 HG2 GLN 55 -12.495 15.932 7.527 409 HG3 GLN 55 HG3 GLN 55 -11.592 16.064 9.033 410 HE21 GLN 55 HE21 GLN 55 -10.315 18.557 8.383 411 HE22 GLN 55 HE22 GLN 55 -11.525 19.778 8.441 412 H ASN 56 H ASN 56 -10.768 13.738 9.408 413 HA ASN 56 HA ASN 56 -8.913 14.842 11.397 414 HB2 ASN 56 HB2 ASN 56 -10.518 14.662 13.110 415 HB3 ASN 56 HB3 ASN 56 -11.380 15.330 11.742 416 HD21 ASN 56 HD21 ASN 56 -11.942 12.929 10.334 417 HD22 ASN 56 HD22 ASN 56 -13.023 11.998 11.300 418 H ILE 57 H ILE 57 -7.283 13.558 11.691 419 HA ILE 57 HA ILE 57 -7.793 10.676 12.035 420 HB ILE 57 HB ILE 57 -5.336 11.915 10.772 421 HG12 ILE 57 HG12 ILE 57 -7.528 10.299 9.454 422 HG13 ILE 57 HG13 ILE 57 -7.444 12.057 9.406 423 HG21 ILE 57 HG21 ILE 57 -4.855 9.836 11.954 424 HG22 ILE 57 HG22 ILE 57 -4.740 9.597 10.211 425 HG23 ILE 57 HG23 ILE 57 -6.159 9.026 11.089 426 HD11 ILE 57 HD11 ILE 57 -5.375 10.176 8.310 427 HD12 ILE 57 HD12 ILE 57 -5.333 11.938 8.230 428 HD13 ILE 57 HD13 ILE 57 -6.590 11.047 7.373 429 H SER 58 H SER 58 -6.875 9.735 13.785 430 HA SER 58 HA SER 58 -5.297 11.509 15.529 431 HB2 SER 58 HB2 SER 58 -6.606 10.243 17.403 432 HB3 SER 58 HB3 SER 58 -7.375 11.580 16.548 433 HG SER 58 HG SER 58 -7.766 9.215 15.248 434 H ILE 59 H ILE 59 -3.415 10.712 16.089 435 HA ILE 59 HA ILE 59 -3.043 7.782 16.126 436 HB ILE 59 HB ILE 59 -0.869 9.857 15.761 437 HG12 ILE 59 HG12 ILE 59 -2.219 8.162 13.646 438 HG13 ILE 59 HG13 ILE 59 -2.455 9.893 13.856 439 HG21 ILE 59 HG21 ILE 59 0.457 7.922 15.009 440 HG22 ILE 59 HG22 ILE 59 -0.905 6.863 15.379 441 HG23 ILE 59 HG23 ILE 59 -0.095 7.746 16.675 442 HD11 ILE 59 HD11 ILE 59 0.151 8.560 13.152 443 HD12 ILE 59 HD12 ILE 59 -0.125 10.296 13.309 444 HD13 ILE 59 HD13 ILE 59 -0.923 9.388 12.024 445 H ALA 60 H ALA 60 -2.334 6.871 18.005 446 HA ALA 60 HA ALA 60 -2.139 8.689 20.300 447 HB1 ALA 60 HB1 ALA 60 -2.629 5.714 20.244 448 HB2 ALA 60 HB2 ALA 60 -3.874 6.955 20.382 449 HB3 ALA 60 HB3 ALA 60 -2.684 6.752 21.670 450 H GLY 61 H GLY 61 -0.330 8.947 21.408 451 HA2 GLY 61 HA2 GLY 61 1.881 7.047 20.914 452 HA3 GLY 61 HA3 GLY 61 2.128 8.778 21.112 453 H HIS 62 H HIS 62 2.652 6.031 22.627 454 HA HIS 62 HA HIS 62 1.941 7.068 25.287 455 HB2 HIS 62 HB2 HIS 62 0.899 4.896 24.734 456 HB3 HIS 62 HB3 HIS 62 2.496 4.206 24.465 457 HD1 HIS 62 HD1 HIS 62 2.960 2.675 26.333 458 HD2 HIS 62 HD2 HIS 62 1.106 6.173 27.632 459 HE1 HIS 62 HE1 HIS 62 2.810 2.479 28.840 460 H THR 63 H THR 63 3.831 8.423 25.100 461 HA THR 63 HA THR 63 6.442 7.486 24.739 462 HB THR 63 HB THR 63 5.550 9.888 26.354 463 HG1 THR 63 HG1 THR 63 6.091 9.615 23.559 464 HG21 THR 63 HG21 THR 63 7.714 10.835 25.741 465 HG22 THR 63 HG22 THR 63 8.130 9.359 24.869 466 HG23 THR 63 HG23 THR 63 7.934 9.319 26.621 467 H PHE 64 H PHE 64 7.934 6.623 26.097 468 HA PHE 64 HA PHE 64 7.383 6.465 28.950 469 HB2 PHE 64 HB2 PHE 64 6.312 4.470 27.830 470 HB3 PHE 64 HB3 PHE 64 7.921 3.970 27.322 471 HD1 PHE 64 HD1 PHE 64 6.017 4.881 30.386 472 HD2 PHE 64 HD2 PHE 64 9.121 2.530 28.669 473 HE1 PHE 64 HE1 PHE 64 6.310 3.711 32.530 474 HE2 PHE 64 HE2 PHE 64 9.420 1.356 30.811 475 HZ PHE 64 HZ PHE 64 8.015 1.947 32.744 476 H ILE 65 H ILE 65 9.221 5.927 30.194 477 HA ILE 65 HA ILE 65 11.562 7.191 29.475 478 HB ILE 65 HB ILE 65 11.212 4.989 31.512 479 HG12 ILE 65 HG12 ILE 65 11.093 7.993 31.877 480 HG13 ILE 65 HG13 ILE 65 9.678 6.949 31.759 481 HG21 ILE 65 HG21 ILE 65 13.170 5.997 32.620 482 HG22 ILE 65 HG22 ILE 65 13.368 7.082 31.243 483 HG23 ILE 65 HG23 ILE 65 13.555 5.339 31.029 484 HD11 ILE 65 HD11 ILE 65 10.178 7.508 34.066 485 HD12 ILE 65 HD12 ILE 65 11.793 6.819 33.897 486 HD13 ILE 65 HD13 ILE 65 10.373 5.780 33.781 487 H ASP 66 H ASP 66 10.805 3.738 29.284 488 HA ASP 66 HA ASP 66 13.502 3.026 28.586 489 HB2 ASP 66 HB2 ASP 66 10.944 1.440 28.761 490 HB3 ASP 66 HB3 ASP 66 12.475 0.732 28.255 491 H ARG 67 H ARG 67 11.469 4.651 26.787 492 HA ARG 67 HA ARG 67 12.392 3.334 24.323 493 HB2 ARG 67 HB2 ARG 67 9.741 4.763 24.414 494 HB3 ARG 67 HB3 ARG 67 10.330 3.621 23.219 495 HG2 ARG 67 HG2 ARG 67 10.063 1.789 24.754 496 HG3 ARG 67 HG3 ARG 67 9.633 2.895 26.057 497 HD2 ARG 67 HD2 ARG 67 7.583 2.056 25.332 498 HD3 ARG 67 HD3 ARG 67 7.698 3.626 24.544 499 HE ARG 67 HE ARG 67 8.724 1.635 22.836 500 HH11 ARG 67 HH11 ARG 67 5.703 2.822 24.129 501 HH12 ARG 67 HH12 ARG 67 4.745 2.187 22.830 502 HH21 ARG 67 HH21 ARG 67 7.456 0.818 21.092 503 HH22 ARG 67 HH22 ARG 67 5.737 1.061 21.108 504 HA PRO 68 HA PRO 68 13.697 7.744 24.801 505 HB2 PRO 68 HB2 PRO 68 16.261 7.434 24.015 506 HB3 PRO 68 HB3 PRO 68 15.712 7.070 25.654 507 HG2 PRO 68 HG2 PRO 68 16.248 5.211 23.378 508 HG3 PRO 68 HG3 PRO 68 16.630 5.016 25.098 509 HD2 PRO 68 HD2 PRO 68 14.485 3.838 23.873 510 HD3 PRO 68 HD3 PRO 68 14.532 4.247 25.599 511 H ASN 69 H ASN 69 14.158 5.606 22.037 512 HA ASN 69 HA ASN 69 13.574 7.863 20.307 513 HB2 ASN 69 HB2 ASN 69 15.284 6.831 18.665 514 HB3 ASN 69 HB3 ASN 69 15.874 7.855 19.962 515 HD21 ASN 69 HD21 ASN 69 17.117 6.971 21.568 516 HD22 ASN 69 HD22 ASN 69 17.742 5.355 21.501 517 H TYR 70 H TYR 70 11.506 6.707 20.537 518 HA TYR 70 HA TYR 70 11.279 4.748 18.353 519 HB2 TYR 70 HB2 TYR 70 9.983 3.294 19.592 520 HB3 TYR 70 HB3 TYR 70 10.918 3.976 20.924 521 HD1 TYR 70 HD1 TYR 70 9.916 5.985 22.157 522 HD2 TYR 70 HD2 TYR 70 7.656 3.468 19.583 523 HE1 TYR 70 HE1 TYR 70 7.848 6.827 23.162 524 HE2 TYR 70 HE2 TYR 70 5.574 4.296 20.589 525 HH TYR 70 HH TYR 70 5.490 7.045 22.600 526 H GLN 71 H GLN 71 9.360 4.942 17.129 527 HA GLN 71 HA GLN 71 7.843 6.382 16.028 528 HB2 GLN 71 HB2 GLN 71 6.422 5.462 18.521 529 HB3 GLN 71 HB3 GLN 71 5.677 5.866 16.983 530 HG2 GLN 71 HG2 GLN 71 7.677 3.653 17.307 531 HG3 GLN 71 HG3 GLN 71 5.943 3.423 17.506 532 HE21 GLN 71 HE21 GLN 71 5.295 5.337 15.392 533 HE22 GLN 71 HE22 GLN 71 5.637 4.519 13.908 534 H PHE 72 H PHE 72 6.427 7.092 19.161 535 HA PHE 72 HA PHE 72 6.912 9.958 18.688 536 HB2 PHE 72 HB2 PHE 72 4.512 8.582 19.900 537 HB3 PHE 72 HB3 PHE 72 4.792 10.311 20.028 538 HD1 PHE 72 HD1 PHE 72 6.056 10.057 17.017 539 HD2 PHE 72 HD2 PHE 72 2.326 9.277 18.911 540 HE1 PHE 72 HE1 PHE 72 4.902 10.416 14.876 541 HE2 PHE 72 HE2 PHE 72 1.165 9.625 16.769 542 HZ PHE 72 HZ PHE 72 2.452 10.197 14.748 543 H THR 73 H THR 73 8.687 10.232 19.979 544 HA THR 73 HA THR 73 8.145 10.137 22.839 545 HB THR 73 HB THR 73 9.334 8.014 22.217 546 HG1 THR 73 HG1 THR 73 10.760 8.161 23.981 547 HG21 THR 73 HG21 THR 73 11.620 9.882 21.622 548 HG22 THR 73 HG22 THR 73 10.804 8.820 20.475 549 HG23 THR 73 HG23 THR 73 11.758 8.131 21.788 550 H ASN 74 H ASN 74 10.228 11.146 20.200 551 HA ASN 74 HA ASN 74 11.476 13.195 21.843 552 HB2 ASN 74 HB2 ASN 74 12.719 11.735 20.155 553 HB3 ASN 74 HB3 ASN 74 11.941 12.697 18.902 554 HD21 ASN 74 HD21 ASN 74 13.841 13.542 18.131 555 HD22 ASN 74 HD22 ASN 74 14.773 14.702 19.012 556 H LEU 75 H LEU 75 8.605 13.319 21.114 557 HA LEU 75 HA LEU 75 8.324 15.379 19.141 558 HB2 LEU 75 HB2 LEU 75 6.449 13.983 20.999 559 HB3 LEU 75 HB3 LEU 75 5.935 15.458 20.199 560 HG LEU 75 HG LEU 75 6.870 12.945 18.808 561 HD11 LEU 75 HD11 LEU 75 4.533 12.779 18.078 562 HD12 LEU 75 HD12 LEU 75 4.127 14.157 19.101 563 HD13 LEU 75 HD13 LEU 75 4.693 12.653 19.830 564 HD21 LEU 75 HD21 LEU 75 7.445 14.945 17.547 565 HD22 LEU 75 HD22 LEU 75 5.791 15.538 17.704 566 HD23 LEU 75 HD23 LEU 75 6.120 14.081 16.764 567 H LYS 76 H LYS 76 9.561 15.529 22.136 568 HA LYS 76 HA LYS 76 8.431 18.009 23.021 569 HB2 LYS 76 HB2 LYS 76 10.494 18.063 24.495 570 HB3 LYS 76 HB3 LYS 76 9.449 16.663 24.703 571 HG2 LYS 76 HG2 LYS 76 10.964 15.215 23.790 572 HG3 LYS 76 HG3 LYS 76 11.719 16.462 22.795 573 HD2 LYS 76 HD2 LYS 76 12.861 17.378 24.660 574 HD3 LYS 76 HD3 LYS 76 11.939 16.385 25.795 575 HE2 LYS 76 HE2 LYS 76 12.988 14.376 24.903 576 HE3 LYS 76 HE3 LYS 76 13.862 15.344 23.717 577 HZ1 LYS 76 HZ1 LYS 76 15.258 14.786 25.604 578 HZ2 LYS 76 HZ2 LYS 76 14.170 15.541 26.663 579 HZ3 LYS 76 HZ3 LYS 76 15.009 16.462 25.517 580 H ALA 77 H ALA 77 10.778 17.044 20.736 581 HA ALA 77 HA ALA 77 12.010 19.682 20.608 582 HB1 ALA 77 HB1 ALA 77 13.553 18.675 19.027 583 HB2 ALA 77 HB2 ALA 77 12.595 17.196 18.999 584 HB3 ALA 77 HB3 ALA 77 13.431 17.676 20.478 585 H ALA 78 H ALA 78 9.203 18.592 19.705 586 HA ALA 78 HA ALA 78 9.129 19.439 16.939 587 HB1 ALA 78 HB1 ALA 78 6.951 18.605 18.858 588 HB2 ALA 78 HB2 ALA 78 7.697 17.612 17.605 589 HB3 ALA 78 HB3 ALA 78 6.693 18.991 17.153 590 H LYS 79 H LYS 79 7.769 21.215 16.232 591 HA LYS 79 HA LYS 79 7.321 23.284 18.235 592 HB2 LYS 79 HB2 LYS 79 8.436 24.949 16.702 593 HB3 LYS 79 HB3 LYS 79 9.510 23.840 17.532 594 HG2 LYS 79 HG2 LYS 79 9.414 22.435 15.393 595 HG3 LYS 79 HG3 LYS 79 8.710 23.869 14.644 596 HD2 LYS 79 HD2 LYS 79 10.682 25.172 15.341 597 HD3 LYS 79 HD3 LYS 79 11.384 23.708 16.031 598 HE2 LYS 79 HE2 LYS 79 11.240 22.671 13.759 599 HE3 LYS 79 HE3 LYS 79 10.759 24.248 13.134 600 HZ1 LYS 79 HZ1 LYS 79 13.132 23.855 12.859 601 HZ2 LYS 79 HZ2 LYS 79 13.314 23.657 14.531 602 HZ3 LYS 79 HZ3 LYS 79 12.858 25.160 13.903 603 H LYS 80 H LYS 80 6.522 25.329 16.910 604 HA LYS 80 HA LYS 80 3.925 24.576 16.075 605 HB2 LYS 80 HB2 LYS 80 3.658 27.027 15.616 606 HB3 LYS 80 HB3 LYS 80 4.193 26.627 17.241 607 HG2 LYS 80 HG2 LYS 80 6.542 27.087 16.445 608 HG3 LYS 80 HG3 LYS 80 5.817 27.749 14.979 609 HD2 LYS 80 HD2 LYS 80 5.291 28.706 17.793 610 HD3 LYS 80 HD3 LYS 80 6.337 29.500 16.616 611 HE2 LYS 80 HE2 LYS 80 3.399 28.988 16.189 612 HE3 LYS 80 HE3 LYS 80 4.053 30.494 16.832 613 HZ1 LYS 80 HZ1 LYS 80 5.101 30.981 14.821 614 HZ2 LYS 80 HZ2 LYS 80 3.576 30.397 14.364 615 HZ3 LYS 80 HZ3 LYS 80 4.941 29.400 14.227 616 H GLY 81 H GLY 81 6.802 24.824 14.352 617 HA2 GLY 81 HA2 GLY 81 5.298 24.306 11.887 618 HA3 GLY 81 HA3 GLY 81 6.582 25.516 11.856 619 H SER 82 H SER 82 6.104 22.211 13.081 620 HA SER 82 HA SER 82 8.871 21.567 12.868 621 HB2 SER 82 HB2 SER 82 7.927 19.225 13.400 622 HB3 SER 82 HB3 SER 82 7.699 20.495 14.604 623 HG SER 82 HG SER 82 5.733 19.500 14.313 624 H MET 83 H MET 83 6.380 21.613 10.623 625 HA MET 83 HA MET 83 5.915 20.664 8.633 626 HB2 MET 83 HB2 MET 83 8.907 20.640 8.658 627 HB3 MET 83 HB3 MET 83 8.027 19.923 7.314 628 HG2 MET 83 HG2 MET 83 7.199 22.631 8.139 629 HG3 MET 83 HG3 MET 83 8.777 22.484 7.382 630 HE1 MET 83 HE1 MET 83 4.884 21.815 6.911 631 HE2 MET 83 HE2 MET 83 5.625 20.230 6.686 632 HE3 MET 83 HE3 MET 83 4.880 21.058 5.315 633 H VAL 84 H VAL 84 4.724 18.975 9.365 634 HA VAL 84 HA VAL 84 6.014 16.432 9.927 635 HB VAL 84 HB VAL 84 3.074 17.131 9.831 636 HG11 VAL 84 HG11 VAL 84 3.426 14.765 9.541 637 HG12 VAL 84 HG12 VAL 84 2.786 15.071 11.157 638 HG13 VAL 84 HG13 VAL 84 4.502 14.720 10.938 639 HG21 VAL 84 HG21 VAL 84 3.194 17.190 12.281 640 HG22 VAL 84 HG22 VAL 84 4.207 18.429 11.540 641 HG23 VAL 84 HG23 VAL 84 4.942 16.963 12.193 642 H TYR 85 H TYR 85 6.376 14.966 8.394 643 HA TYR 85 HA TYR 85 4.872 15.186 5.877 644 HB2 TYR 85 HB2 TYR 85 7.505 13.794 6.431 645 HB3 TYR 85 HB3 TYR 85 6.704 13.880 4.867 646 HD1 TYR 85 HD1 TYR 85 8.701 15.692 7.327 647 HD2 TYR 85 HD2 TYR 85 6.655 15.980 3.609 648 HE1 TYR 85 HE1 TYR 85 9.898 17.785 6.843 649 HE2 TYR 85 HE2 TYR 85 7.842 18.075 3.113 650 HH TYR 85 HH TYR 85 10.546 19.119 4.905 651 H PHE 86 H PHE 86 3.139 13.884 5.946 652 HA PHE 86 HA PHE 86 3.389 11.301 7.287 653 HB2 PHE 86 HB2 PHE 86 1.380 12.780 7.662 654 HB3 PHE 86 HB3 PHE 86 0.931 12.489 5.986 655 HD1 PHE 86 HD1 PHE 86 -0.898 11.115 5.897 656 HD2 PHE 86 HD2 PHE 86 2.181 10.261 8.708 657 HE1 PHE 86 HE1 PHE 86 -2.090 9.072 6.579 658 HE2 PHE 86 HE2 PHE 86 0.997 8.217 9.395 659 HZ PHE 86 HZ PHE 86 -1.143 7.621 8.329 660 H LYS 87 H LYS 87 4.446 9.913 6.047 661 HA LYS 87 HA LYS 87 4.114 9.877 3.166 662 HB2 LYS 87 HB2 LYS 87 6.317 9.475 4.436 663 HB3 LYS 87 HB3 LYS 87 5.667 7.886 4.815 664 HG2 LYS 87 HG2 LYS 87 7.057 7.627 2.928 665 HG3 LYS 87 HG3 LYS 87 5.392 7.524 2.345 666 HD2 LYS 87 HD2 LYS 87 5.532 9.951 1.783 667 HD3 LYS 87 HD3 LYS 87 7.248 9.889 2.180 668 HE2 LYS 87 HE2 LYS 87 5.808 8.428 -0.018 669 HE3 LYS 87 HE3 LYS 87 7.045 9.669 -0.182 670 HZ1 LYS 87 HZ1 LYS 87 8.200 7.721 -0.549 671 HZ2 LYS 87 HZ2 LYS 87 7.345 6.853 0.628 672 HZ3 LYS 87 HZ3 LYS 87 8.504 7.999 1.098 673 H VAL 88 H VAL 88 1.941 9.229 2.941 674 HA VAL 88 HA VAL 88 1.320 6.594 4.085 675 HB VAL 88 HB VAL 88 -0.086 8.343 4.986 676 HG11 VAL 88 HG11 VAL 88 -1.662 9.587 3.601 677 HG12 VAL 88 HG12 VAL 88 -0.962 8.861 2.154 678 HG13 VAL 88 HG13 VAL 88 0.009 9.938 3.158 679 HG21 VAL 88 HG21 VAL 88 -2.281 7.386 4.482 680 HG22 VAL 88 HG22 VAL 88 -1.056 6.145 4.739 681 HG23 VAL 88 HG23 VAL 88 -1.581 6.539 3.102 682 H GLY 89 H GLY 89 0.994 4.967 2.793 683 HA2 GLY 89 HA2 GLY 89 0.698 3.724 0.891 684 HA3 GLY 89 HA3 GLY 89 -0.258 5.063 0.274 685 H ASN 90 H ASN 90 0.688 6.586 -1.067 686 HA ASN 90 HA ASN 90 3.453 6.073 -1.895 687 HB2 ASN 90 HB2 ASN 90 2.784 6.195 -4.274 688 HB3 ASN 90 HB3 ASN 90 2.094 4.803 -3.450 689 HD21 ASN 90 HD21 ASN 90 -0.100 4.672 -3.168 690 HD22 ASN 90 HD22 ASN 90 -1.219 5.740 -3.948 691 H GLU 91 H GLU 91 1.626 8.236 -0.566 692 HA GLU 91 HA GLU 91 2.651 10.467 -2.195 693 HB2 GLU 91 HB2 GLU 91 0.704 11.791 -1.491 694 HB3 GLU 91 HB3 GLU 91 0.232 10.371 -2.411 695 HG2 GLU 91 HG2 GLU 91 -0.390 9.228 -0.364 696 HG3 GLU 91 HG3 GLU 91 0.140 10.615 0.587 697 H THR 92 H THR 92 3.074 12.445 -1.008 698 HA THR 92 HA THR 92 3.699 11.969 1.830 699 HB THR 92 HB THR 92 5.303 13.827 0.089 700 HG1 THR 92 HG1 THR 92 5.757 11.953 -0.907 701 HG21 THR 92 HG21 THR 92 7.002 13.473 1.806 702 HG22 THR 92 HG22 THR 92 5.937 12.337 2.637 703 HG23 THR 92 HG23 THR 92 5.498 14.045 2.531 704 H ARG 93 H ARG 93 2.003 13.010 2.728 705 HA ARG 93 HA ARG 93 1.295 15.677 1.768 706 HB2 ARG 93 HB2 ARG 93 -0.606 15.351 3.491 707 HB3 ARG 93 HB3 ARG 93 -0.642 14.400 2.013 708 HG2 ARG 93 HG2 ARG 93 0.333 12.504 3.231 709 HG3 ARG 93 HG3 ARG 93 0.305 13.460 4.712 710 HD2 ARG 93 HD2 ARG 93 -1.599 12.004 4.691 711 HD3 ARG 93 HD3 ARG 93 -2.147 13.665 4.485 712 HE ARG 93 HE ARG 93 -1.825 12.499 1.944 713 HH11 ARG 93 HH11 ARG 93 -3.881 12.242 4.770 714 HH12 ARG 93 HH12 ARG 93 -5.251 11.662 3.882 715 HH21 ARG 93 HH21 ARG 93 -3.625 11.738 0.769 716 HH22 ARG 93 HH22 ARG 93 -5.114 11.383 1.602 717 H LYS 94 H LYS 94 1.678 17.516 2.912 718 HA LYS 94 HA LYS 94 3.381 17.180 5.275 719 HB2 LYS 94 HB2 LYS 94 3.069 19.715 3.658 720 HB3 LYS 94 HB3 LYS 94 4.304 19.344 4.844 721 HG2 LYS 94 HG2 LYS 94 5.450 19.069 2.879 722 HG3 LYS 94 HG3 LYS 94 4.934 17.420 3.223 723 HD2 LYS 94 HD2 LYS 94 4.345 17.566 1.020 724 HD3 LYS 94 HD3 LYS 94 2.853 18.127 1.769 725 HE2 LYS 94 HE2 LYS 94 5.047 19.875 0.654 726 HE3 LYS 94 HE3 LYS 94 3.500 19.543 -0.117 727 HZ1 LYS 94 HZ1 LYS 94 3.180 21.587 0.878 728 HZ2 LYS 94 HZ2 LYS 94 4.068 21.187 2.266 729 HZ3 LYS 94 HZ3 LYS 94 2.522 20.533 2.032 730 H TYR 95 H TYR 95 2.954 18.145 7.196 731 HA TYR 95 HA TYR 95 0.460 19.699 7.417 732 HB2 TYR 95 HB2 TYR 95 1.416 17.474 9.233 733 HB3 TYR 95 HB3 TYR 95 0.071 18.544 9.606 734 HD1 TYR 95 HD1 TYR 95 -2.079 18.130 8.742 735 HD2 TYR 95 HD2 TYR 95 1.243 15.952 7.228 736 HE1 TYR 95 HE1 TYR 95 -3.614 16.649 7.523 737 HE2 TYR 95 HE2 TYR 95 -0.278 14.467 6.000 738 HH TYR 95 HH TYR 95 -3.529 15.192 5.500 739 H LYS 96 H LYS 96 0.414 21.292 9.010 740 HA LYS 96 HA LYS 96 3.045 22.011 10.139 741 HB2 LYS 96 HB2 LYS 96 1.238 23.510 8.612 742 HB3 LYS 96 HB3 LYS 96 1.022 24.096 10.252 743 HG2 LYS 96 HG2 LYS 96 2.633 25.464 9.149 744 HG3 LYS 96 HG3 LYS 96 3.465 24.503 10.375 745 HD2 LYS 96 HD2 LYS 96 4.124 22.914 8.583 746 HD3 LYS 96 HD3 LYS 96 3.387 23.999 7.408 747 HE2 LYS 96 HE2 LYS 96 5.717 24.613 9.213 748 HE3 LYS 96 HE3 LYS 96 5.766 24.365 7.470 749 HZ1 LYS 96 HZ1 LYS 96 4.360 26.595 8.848 750 HZ2 LYS 96 HZ2 LYS 96 4.445 26.354 7.169 751 HZ3 LYS 96 HZ3 LYS 96 5.849 26.706 8.046 752 H MET 97 H MET 97 3.241 21.757 12.287 753 HA MET 97 HA MET 97 0.942 21.109 13.903 754 HB2 MET 97 HB2 MET 97 3.888 21.342 14.490 755 HB3 MET 97 HB3 MET 97 2.714 21.127 15.780 756 HG2 MET 97 HG2 MET 97 1.972 19.036 14.738 757 HG3 MET 97 HG3 MET 97 3.180 19.253 13.471 758 HE1 MET 97 HE1 MET 97 3.853 16.675 14.194 759 HE2 MET 97 HE2 MET 97 2.761 16.697 15.579 760 HE3 MET 97 HE3 MET 97 4.455 16.267 15.800 761 H THR 98 H THR 98 -0.073 23.216 13.404 762 HA THR 98 HA THR 98 1.171 25.593 14.457 763 HB THR 98 HB THR 98 -0.053 25.719 12.367 764 HG1 THR 98 HG1 THR 98 -0.030 27.584 13.716 765 HG21 THR 98 HG21 THR 98 -1.725 24.012 12.723 766 HG22 THR 98 HG22 THR 98 -2.518 25.539 12.332 767 HG23 THR 98 HG23 THR 98 -2.478 24.970 14.002 768 H SER 99 H SER 99 -0.820 23.194 15.777 769 HA SER 99 HA SER 99 -1.320 24.947 18.069 770 HB2 SER 99 HB2 SER 99 -3.363 23.030 16.929 771 HB3 SER 99 HB3 SER 99 -3.556 23.992 18.392 772 HG SER 99 HG SER 99 -2.843 25.634 16.434 773 H ILE 100 H ILE 100 0.167 24.104 19.378 774 HA ILE 100 HA ILE 100 0.028 21.222 19.995 775 HB ILE 100 HB ILE 100 2.364 23.113 20.370 776 HG12 ILE 100 HG12 ILE 100 2.043 20.836 18.405 777 HG13 ILE 100 HG13 ILE 100 1.887 22.541 17.995 778 HG21 ILE 100 HG21 ILE 100 2.302 21.371 22.069 779 HG22 ILE 100 HG22 ILE 100 3.640 21.109 20.950 780 HG23 ILE 100 HG23 ILE 100 2.174 20.138 20.813 781 HD11 ILE 100 HD11 ILE 100 4.059 21.718 17.362 782 HD12 ILE 100 HD12 ILE 100 4.361 21.165 19.009 783 HD13 ILE 100 HD13 ILE 100 4.221 22.890 18.670 784 H ARG 101 H ARG 101 -0.576 20.692 22.062 785 HA ARG 101 HA ARG 101 -0.115 22.429 24.275 786 HB2 ARG 101 HB2 ARG 101 -2.374 23.133 24.773 787 HB3 ARG 101 HB3 ARG 101 -1.924 23.714 23.178 788 HG2 ARG 101 HG2 ARG 101 -3.238 21.990 22.127 789 HG3 ARG 101 HG3 ARG 101 -3.598 21.267 23.696 790 HD2 ARG 101 HD2 ARG 101 -4.445 23.996 22.732 791 HD3 ARG 101 HD3 ARG 101 -5.480 22.585 22.943 792 HE ARG 101 HE ARG 101 -4.089 23.361 25.340 793 HH11 ARG 101 HH11 ARG 101 -6.960 23.948 23.407 794 HH12 ARG 101 HH12 ARG 101 -7.887 24.546 24.749 795 HH21 ARG 101 HH21 ARG 101 -5.286 24.154 27.072 796 HH22 ARG 101 HH22 ARG 101 -6.934 24.667 26.843 797 H ASP 102 H ASP 102 -1.701 21.711 26.164 798 HA ASP 102 HA ASP 102 -1.967 18.784 26.034 799 HB2 ASP 102 HB2 ASP 102 -1.219 18.635 28.349 800 HB3 ASP 102 HB3 ASP 102 0.012 19.429 27.374 801 H VAL 103 H VAL 103 -3.615 17.887 27.357 802 HA VAL 103 HA VAL 103 -5.499 19.749 28.574 803 HB VAL 103 HB VAL 103 -7.420 18.457 27.521 804 HG11 VAL 103 HG11 VAL 103 -5.697 20.157 25.723 805 HG12 VAL 103 HG12 VAL 103 -6.906 20.739 26.868 806 HG13 VAL 103 HG13 VAL 103 -7.403 19.795 25.464 807 HG21 VAL 103 HG21 VAL 103 -5.245 17.622 25.605 808 HG22 VAL 103 HG22 VAL 103 -6.975 17.399 25.350 809 HG23 VAL 103 HG23 VAL 103 -6.164 16.560 26.672 810 H LYS 104 H LYS 104 -7.338 18.409 29.595 811 HA LYS 104 HA LYS 104 -6.055 16.302 31.163 812 HB2 LYS 104 HB2 LYS 104 -8.160 16.673 32.638 813 HB3 LYS 104 HB3 LYS 104 -6.874 17.866 32.674 814 HG2 LYS 104 HG2 LYS 104 -9.173 18.235 30.808 815 HG3 LYS 104 HG3 LYS 104 -9.361 18.611 32.522 816 HD2 LYS 104 HD2 LYS 104 -7.553 20.195 32.430 817 HD3 LYS 104 HD3 LYS 104 -7.173 19.733 30.772 818 HE2 LYS 104 HE2 LYS 104 -8.382 21.822 30.770 819 HE3 LYS 104 HE3 LYS 104 -9.394 20.559 30.072 820 HZ1 LYS 104 HZ1 LYS 104 -10.559 22.052 31.647 821 HZ2 LYS 104 HZ2 LYS 104 -9.578 21.458 32.896 822 HZ3 LYS 104 HZ3 LYS 104 -10.643 20.416 32.081 823 HA PRO 105 HA PRO 105 -8.431 13.083 29.365 824 HB2 PRO 105 HB2 PRO 105 -9.025 11.510 31.521 825 HB3 PRO 105 HB3 PRO 105 -7.426 11.570 30.768 826 HG2 PRO 105 HG2 PRO 105 -8.424 12.977 33.215 827 HG3 PRO 105 HG3 PRO 105 -6.872 12.161 32.950 828 HD2 PRO 105 HD2 PRO 105 -7.111 14.839 32.824 829 HD3 PRO 105 HD3 PRO 105 -5.991 13.950 31.772 830 H THR 106 H THR 106 -9.768 15.067 31.809 831 HA THR 106 HA THR 106 -12.485 14.071 31.301 832 HB THR 106 HB THR 106 -11.804 14.214 33.673 833 HG1 THR 106 HG1 THR 106 -13.808 16.108 32.921 834 HG21 THR 106 HG21 THR 106 -11.593 17.178 33.151 835 HG22 THR 106 HG22 THR 106 -10.255 16.092 33.518 836 HG23 THR 106 HG23 THR 106 -11.495 16.404 34.732 837 H ASP 107 H ASP 107 -10.540 16.086 29.832 838 HA ASP 107 HA ASP 107 -12.067 18.525 29.777 839 HB2 ASP 107 HB2 ASP 107 -9.650 18.568 29.360 840 HB3 ASP 107 HB3 ASP 107 -9.863 17.537 27.948 841 H VAL 108 H VAL 108 -13.852 18.864 28.646 842 HA VAL 108 HA VAL 108 -14.473 17.008 26.447 843 HB VAL 108 HB VAL 108 -16.830 17.699 26.720 844 HG11 VAL 108 HG11 VAL 108 -16.047 15.710 27.859 845 HG12 VAL 108 HG12 VAL 108 -17.231 16.550 28.860 846 HG13 VAL 108 HG13 VAL 108 -15.512 16.677 29.232 847 HG21 VAL 108 HG21 VAL 108 -15.813 19.239 29.110 848 HG22 VAL 108 HG22 VAL 108 -17.508 18.977 28.700 849 HG23 VAL 108 HG23 VAL 108 -16.480 19.932 27.631 850 H GLU 109 H GLU 109 -12.950 19.728 26.673 851 HA GLU 109 HA GLU 109 -14.440 21.385 24.833 852 HB2 GLU 109 HB2 GLU 109 -11.534 21.695 25.593 853 HB3 GLU 109 HB3 GLU 109 -12.629 22.932 24.995 854 HG2 GLU 109 HG2 GLU 109 -12.698 21.606 27.693 855 HG3 GLU 109 HG3 GLU 109 -12.226 23.265 27.336 856 H VAL 110 H VAL 110 -11.506 19.407 24.824 857 HA VAL 110 HA VAL 110 -11.164 19.775 21.958 858 HB VAL 110 HB VAL 110 -9.163 18.391 22.183 859 HG11 VAL 110 HG11 VAL 110 -7.878 19.873 23.651 860 HG12 VAL 110 HG12 VAL 110 -9.381 20.505 24.324 861 HG13 VAL 110 HG13 VAL 110 -8.993 20.776 22.626 862 HG21 VAL 110 HG21 VAL 110 -9.951 18.119 25.084 863 HG22 VAL 110 HG22 VAL 110 -8.435 17.568 24.372 864 HG23 VAL 110 HG23 VAL 110 -9.958 16.829 23.880 865 H LEU 111 H LEU 111 -12.961 17.742 23.905 866 HA LEU 111 HA LEU 111 -12.751 15.427 22.163 867 HB2 LEU 111 HB2 LEU 111 -14.374 15.973 24.636 868 HB3 LEU 111 HB3 LEU 111 -14.572 14.517 23.680 869 HG LEU 111 HG LEU 111 -12.093 15.373 25.167 870 HD11 LEU 111 HD11 LEU 111 -13.952 13.033 25.540 871 HD12 LEU 111 HD12 LEU 111 -13.870 14.461 26.569 872 HD13 LEU 111 HD13 LEU 111 -12.495 13.360 26.478 873 HD21 LEU 111 HD21 LEU 111 -11.116 13.263 24.417 874 HD22 LEU 111 HD22 LEU 111 -11.489 14.314 23.050 875 HD23 LEU 111 HD23 LEU 111 -12.541 12.950 23.428 876 H ASP 112 H ASP 112 -14.353 18.308 22.048 877 HA ASP 112 HA ASP 112 -16.822 17.355 20.900 878 HB2 ASP 112 HB2 ASP 112 -16.550 19.586 22.089 879 HB3 ASP 112 HB3 ASP 112 -15.654 20.131 20.677 880 H GLU 113 H GLU 113 -17.406 17.881 18.660 881 HA GLU 113 HA GLU 113 -15.416 16.997 16.830 882 HB2 GLU 113 HB2 GLU 113 -17.258 17.644 15.139 883 HB3 GLU 113 HB3 GLU 113 -17.581 16.341 16.275 884 HG2 GLU 113 HG2 GLU 113 -18.907 17.766 17.650 885 HG3 GLU 113 HG3 GLU 113 -18.432 19.187 16.724 886 H GLN 114 H GLN 114 -13.756 18.312 16.358 887 HA GLN 114 HA GLN 114 -14.283 21.139 15.974 888 HB2 GLN 114 HB2 GLN 114 -11.733 21.258 15.719 889 HB3 GLN 114 HB3 GLN 114 -12.422 20.994 17.309 890 HG2 GLN 114 HG2 GLN 114 -11.995 18.445 16.244 891 HG3 GLN 114 HG3 GLN 114 -10.565 19.393 15.837 892 HE21 GLN 114 HE21 GLN 114 -12.644 18.349 18.429 893 HE22 GLN 114 HE22 GLN 114 -11.510 18.581 19.691 894 H LYS 115 H LYS 115 -15.146 21.442 13.990 895 HA LYS 115 HA LYS 115 -13.706 20.368 11.672 896 HB2 LYS 115 HB2 LYS 115 -16.402 21.697 11.964 897 HB3 LYS 115 HB3 LYS 115 -15.654 21.429 10.398 898 HG2 LYS 115 HG2 LYS 115 -17.133 19.641 10.691 899 HG3 LYS 115 HG3 LYS 115 -15.538 18.980 11.034 900 HD2 LYS 115 HD2 LYS 115 -17.084 18.154 12.673 901 HD3 LYS 115 HD3 LYS 115 -15.983 19.290 13.454 902 HE2 LYS 115 HE2 LYS 115 -18.252 19.664 14.220 903 HE3 LYS 115 HE3 LYS 115 -17.694 21.047 13.280 904 HZ1 LYS 115 HZ1 LYS 115 -18.986 20.360 11.429 905 HZ2 LYS 115 HZ2 LYS 115 -20.004 20.293 12.785 906 HZ3 LYS 115 HZ3 LYS 115 -19.355 18.866 12.141 907 H GLY 116 H GLY 116 -14.124 22.295 9.788 908 HA2 GLY 116 HA2 GLY 116 -13.841 24.606 9.307 909 HA3 GLY 116 HA3 GLY 116 -13.184 24.831 10.923 910 H LYS 117 H LYS 117 -11.299 22.763 10.931 911 HA LYS 117 HA LYS 117 -9.171 23.944 9.431 912 HB2 LYS 117 HB2 LYS 117 -9.329 21.418 11.080 913 HB3 LYS 117 HB3 LYS 117 -7.857 21.965 10.292 914 HG2 LYS 117 HG2 LYS 117 -9.381 23.532 12.362 915 HG3 LYS 117 HG3 LYS 117 -7.972 22.524 12.693 916 HD2 LYS 117 HD2 LYS 117 -6.812 23.970 10.890 917 HD3 LYS 117 HD3 LYS 117 -8.141 25.098 11.167 918 HE2 LYS 117 HE2 LYS 117 -6.184 24.075 13.223 919 HE3 LYS 117 HE3 LYS 117 -6.234 25.697 12.539 920 HZ1 LYS 117 HZ1 LYS 117 -8.443 24.498 14.128 921 HZ2 LYS 117 HZ2 LYS 117 -8.305 26.114 13.615 922 HZ3 LYS 117 HZ3 LYS 117 -7.236 25.495 14.777 923 H ASP 118 H ASP 118 -7.707 22.536 8.102 924 HA ASP 118 HA ASP 118 -9.158 21.038 6.095 925 HB2 ASP 118 HB2 ASP 118 -7.050 22.606 5.828 926 HB3 ASP 118 HB3 ASP 118 -6.156 21.171 6.309 927 H LYS 119 H LYS 119 -7.029 19.086 5.640 928 HA LYS 119 HA LYS 119 -7.682 17.016 7.433 929 HB2 LYS 119 HB2 LYS 119 -5.658 17.444 5.318 930 HB3 LYS 119 HB3 LYS 119 -5.213 16.275 6.551 931 HG2 LYS 119 HG2 LYS 119 -6.259 15.197 4.643 932 HG3 LYS 119 HG3 LYS 119 -7.233 15.000 6.096 933 HD2 LYS 119 HD2 LYS 119 -8.920 15.632 4.737 934 HD3 LYS 119 HD3 LYS 119 -8.322 17.255 5.083 935 HE2 LYS 119 HE2 LYS 119 -7.493 15.577 2.713 936 HE3 LYS 119 HE3 LYS 119 -8.711 16.847 2.670 937 HZ1 LYS 119 HZ1 LYS 119 -6.671 17.734 1.879 938 HZ2 LYS 119 HZ2 LYS 119 -5.805 17.163 3.218 939 HZ3 LYS 119 HZ3 LYS 119 -6.943 18.413 3.408 940 H GLN 120 H GLN 120 -7.274 17.011 9.531 941 HA GLN 120 HA GLN 120 -4.811 18.312 10.479 942 HB2 GLN 120 HB2 GLN 120 -6.008 18.447 12.693 943 HB3 GLN 120 HB3 GLN 120 -6.689 19.434 11.410 944 HG2 GLN 120 HG2 GLN 120 -8.473 17.860 11.070 945 HG3 GLN 120 HG3 GLN 120 -7.749 16.738 12.222 946 HE21 GLN 120 HE21 GLN 120 -6.994 18.821 14.088 947 HE22 GLN 120 HE22 GLN 120 -8.450 19.338 14.857 948 H LEU 121 H LEU 121 -3.284 17.095 11.312 949 HA LEU 121 HA LEU 121 -3.866 14.318 11.975 950 HB2 LEU 121 HB2 LEU 121 -1.292 15.869 11.763 951 HB3 LEU 121 HB3 LEU 121 -1.355 14.248 12.420 952 HG LEU 121 HG LEU 121 -1.982 15.102 9.598 953 HD11 LEU 121 HD11 LEU 121 0.388 14.866 10.164 954 HD12 LEU 121 HD12 LEU 121 -0.139 13.616 9.035 955 HD13 LEU 121 HD13 LEU 121 0.084 13.226 10.741 956 HD21 LEU 121 HD21 LEU 121 -2.429 12.716 9.159 957 HD22 LEU 121 HD22 LEU 121 -3.617 13.437 10.244 958 HD23 LEU 121 HD23 LEU 121 -2.347 12.401 10.893 959 H THR 122 H THR 122 -4.480 13.839 13.928 960 HA THR 122 HA THR 122 -3.877 15.668 16.126 961 HB THR 122 HB THR 122 -5.767 13.303 16.076 962 HG1 THR 122 HG1 THR 122 -6.614 14.744 14.647 963 HG21 THR 122 HG21 THR 122 -5.543 15.654 17.955 964 HG22 THR 122 HG22 THR 122 -5.099 13.987 18.321 965 HG23 THR 122 HG23 THR 122 -6.785 14.403 18.018 966 H LEU 123 H LEU 123 -1.899 15.184 16.922 967 HA LEU 123 HA LEU 123 -1.184 12.375 17.351 968 HB2 LEU 123 HB2 LEU 123 0.478 14.860 17.790 969 HB3 LEU 123 HB3 LEU 123 1.045 13.215 17.938 970 HG LEU 123 HG LEU 123 1.886 13.989 15.893 971 HD11 LEU 123 HD11 LEU 123 -0.613 12.434 15.256 972 HD12 LEU 123 HD12 LEU 123 0.941 11.757 15.742 973 HD13 LEU 123 HD13 LEU 123 0.792 12.610 14.204 974 HD21 LEU 123 HD21 LEU 123 -0.866 15.017 15.231 975 HD22 LEU 123 HD22 LEU 123 0.524 15.037 14.146 976 HD23 LEU 123 HD23 LEU 123 0.551 15.986 15.632 977 H ILE 124 H ILE 124 -2.163 11.641 19.164 978 HA ILE 124 HA ILE 124 -2.294 13.403 21.493 979 HB ILE 124 HB ILE 124 -3.459 10.624 21.309 980 HG12 ILE 124 HG12 ILE 124 -5.652 12.110 21.089 981 HG13 ILE 124 HG13 ILE 124 -4.531 13.235 20.329 982 HG21 ILE 124 HG21 ILE 124 -3.168 11.516 23.559 983 HG22 ILE 124 HG22 ILE 124 -4.879 11.395 23.143 984 HG23 ILE 124 HG23 ILE 124 -4.072 12.964 23.109 985 HD11 ILE 124 HD11 ILE 124 -5.646 11.863 18.677 986 HD12 ILE 124 HD12 ILE 124 -5.047 10.401 19.463 987 HD13 ILE 124 HD13 ILE 124 -3.916 11.522 18.705 988 H THR 125 H THR 125 -0.322 13.436 22.385 989 HA THR 125 HA THR 125 0.956 10.858 22.990 990 HB THR 125 HB THR 125 2.988 12.296 23.501 991 HG1 THR 125 HG1 THR 125 1.181 14.243 22.976 992 HG21 THR 125 HG21 THR 125 3.584 12.547 21.135 993 HG22 THR 125 HG22 THR 125 1.892 12.332 20.690 994 HG23 THR 125 HG23 THR 125 2.781 11.007 21.440 995 H CYS 126 H CYS 126 0.329 10.159 24.935 996 HA CYS 126 HA CYS 126 -0.133 12.105 27.064 997 HB2 CYS 126 HB2 CYS 126 -0.570 9.123 27.236 998 HB3 CYS 126 HB3 CYS 126 -1.281 10.385 28.240 999 H ASP 127 H ASP 127 1.868 12.736 27.662 1000 HA ASP 127 HA ASP 127 3.738 10.650 28.566 1001 HB2 ASP 127 HB2 ASP 127 5.532 12.317 28.165 1002 HB3 ASP 127 HB3 ASP 127 4.643 11.909 26.705 1003 H ASP 128 H ASP 128 1.603 11.647 30.158 1004 HA ASP 128 HA ASP 128 3.124 12.770 32.389 1005 HB2 ASP 128 HB2 ASP 128 1.963 14.675 31.441 1006 HB3 ASP 128 HB3 ASP 128 0.449 13.777 31.402 1007 H TYR 129 H TYR 129 3.080 11.084 33.729 1008 HA TYR 129 HA TYR 129 0.641 9.477 33.943 1009 HB2 TYR 129 HB2 TYR 129 2.647 8.219 33.440 1010 HB3 TYR 129 HB3 TYR 129 3.477 8.915 34.826 1011 HD1 TYR 129 HD1 TYR 129 0.566 6.767 33.921 1012 HD2 TYR 129 HD2 TYR 129 3.424 7.829 36.889 1013 HE1 TYR 129 HE1 TYR 129 -0.176 4.875 35.307 1014 HE2 TYR 129 HE2 TYR 129 2.691 5.942 38.279 1015 HH TYR 129 HH TYR 129 0.932 4.454 38.588 1016 H ASN 130 H ASN 130 -0.673 9.733 35.589 1017 HA ASN 130 HA ASN 130 0.293 10.985 38.059 1018 HB2 ASN 130 HB2 ASN 130 -1.778 11.877 36.996 1019 HB3 ASN 130 HB3 ASN 130 -2.541 10.305 37.219 1020 HD21 ASN 130 HD21 ASN 130 -3.193 12.996 38.255 1021 HD22 ASN 130 HD22 ASN 130 -3.325 12.792 39.976 1022 H GLU 131 H GLU 131 1.046 9.652 39.515 1023 HA GLU 131 HA GLU 131 0.654 6.855 39.501 1024 HB2 GLU 131 HB2 GLU 131 1.692 8.566 41.759 1025 HB3 GLU 131 HB3 GLU 131 1.992 6.851 41.508 1026 HG2 GLU 131 HG2 GLU 131 3.247 7.352 39.489 1027 HG3 GLU 131 HG3 GLU 131 2.917 9.072 39.703 1028 H LYS 132 H LYS 132 -0.999 9.453 41.144 1029 HA LYS 132 HA LYS 132 -1.958 7.950 43.341 1030 HB2 LYS 132 HB2 LYS 132 -2.648 10.618 42.160 1031 HB3 LYS 132 HB3 LYS 132 -3.518 9.965 43.527 1032 HG2 LYS 132 HG2 LYS 132 -0.575 10.556 43.409 1033 HG3 LYS 132 HG3 LYS 132 -1.797 11.502 44.256 1034 HD2 LYS 132 HD2 LYS 132 -1.151 8.621 44.881 1035 HD3 LYS 132 HD3 LYS 132 -0.436 9.995 45.718 1036 HE2 LYS 132 HE2 LYS 132 -2.193 9.314 47.107 1037 HE3 LYS 132 HE3 LYS 132 -2.836 10.705 46.239 1038 HZ1 LYS 132 HZ1 LYS 132 -4.120 9.315 44.856 1039 HZ2 LYS 132 HZ2 LYS 132 -4.346 8.721 46.427 1040 HZ3 LYS 132 HZ3 LYS 132 -3.306 7.913 45.357 1041 H THR 133 H THR 133 -3.068 8.328 40.102 1042 HA THR 133 HA THR 133 -5.533 6.919 40.841 1043 HB THR 133 HB THR 133 -6.142 9.229 40.443 1044 HG1 THR 133 HG1 THR 133 -6.913 7.286 38.552 1045 HG21 THR 133 HG21 THR 133 -5.787 10.250 38.216 1046 HG22 THR 133 HG22 THR 133 -4.776 8.870 37.787 1047 HG23 THR 133 HG23 THR 133 -4.291 9.945 39.097 1048 H GLY 134 H GLY 134 -2.716 6.736 39.253 1049 HA2 GLY 134 HA2 GLY 134 -1.859 5.285 37.710 1050 HA3 GLY 134 HA3 GLY 134 -3.290 4.315 38.009 1051 H VAL 135 H VAL 135 -2.650 7.444 36.413 1052 HA VAL 135 HA VAL 135 -3.645 6.358 33.906 1053 HB VAL 135 HB VAL 135 -5.609 7.281 35.321 1054 HG11 VAL 135 HG11 VAL 135 -4.505 9.341 36.032 1055 HG12 VAL 135 HG12 VAL 135 -6.012 9.661 35.175 1056 HG13 VAL 135 HG13 VAL 135 -4.466 9.892 34.358 1057 HG21 VAL 135 HG21 VAL 135 -5.810 6.686 32.977 1058 HG22 VAL 135 HG22 VAL 135 -5.159 8.257 32.504 1059 HG23 VAL 135 HG23 VAL 135 -6.721 8.158 33.318 1060 H TRP 136 H TRP 136 -3.236 7.802 32.103 1061 HA TRP 136 HA TRP 136 -1.081 9.699 32.644 1062 HB2 TRP 136 HB2 TRP 136 -2.064 8.509 30.035 1063 HB3 TRP 136 HB3 TRP 136 -0.719 9.639 30.184 1064 HD1 TRP 136 HD1 TRP 136 -1.688 6.044 31.220 1065 HE1 TRP 136 HE1 TRP 136 0.471 4.675 31.546 1066 HE3 TRP 136 HE3 TRP 136 1.736 9.783 30.538 1067 HZ2 TRP 136 HZ2 TRP 136 3.252 5.134 31.509 1068 HZ3 TRP 136 HZ3 TRP 136 4.129 9.231 30.699 1069 HH2 TRP 136 HH2 TRP 136 4.871 6.952 31.175 1070 H GLU 137 H GLU 137 -1.864 11.628 33.167 1071 HA GLU 137 HA GLU 137 -4.541 12.373 32.519 1072 HB2 GLU 137 HB2 GLU 137 -2.330 13.864 33.914 1073 HB3 GLU 137 HB3 GLU 137 -3.961 14.490 33.724 1074 HG2 GLU 137 HG2 GLU 137 -4.757 12.420 34.924 1075 HG3 GLU 137 HG3 GLU 137 -3.063 12.106 35.307 1076 H LYS 138 H LYS 138 -1.495 14.165 31.966 1077 HA LYS 138 HA LYS 138 -2.792 15.921 30.136 1078 HB2 LYS 138 HB2 LYS 138 0.153 15.487 30.595 1079 HB3 LYS 138 HB3 LYS 138 -0.535 16.793 29.654 1080 HG2 LYS 138 HG2 LYS 138 -0.974 16.354 32.601 1081 HG3 LYS 138 HG3 LYS 138 0.150 17.512 31.892 1082 HD2 LYS 138 HD2 LYS 138 -1.624 18.894 32.243 1083 HD3 LYS 138 HD3 LYS 138 -2.047 18.308 30.636 1084 HE2 LYS 138 HE2 LYS 138 -4.015 18.170 31.944 1085 HE3 LYS 138 HE3 LYS 138 -3.414 16.523 31.767 1086 HZ1 LYS 138 HZ1 LYS 138 -3.118 18.271 34.146 1087 HZ2 LYS 138 HZ2 LYS 138 -2.383 16.759 33.990 1088 HZ3 LYS 138 HZ3 LYS 138 -4.074 16.882 34.027 1089 H ARG 139 H ARG 139 -3.718 14.563 28.649 1090 HA ARG 139 HA ARG 139 -2.116 13.046 26.824 1091 HB2 ARG 139 HB2 ARG 139 -4.228 12.980 25.459 1092 HB3 ARG 139 HB3 ARG 139 -4.375 12.326 27.084 1093 HG2 ARG 139 HG2 ARG 139 -5.389 14.449 27.817 1094 HG3 ARG 139 HG3 ARG 139 -5.294 15.040 26.157 1095 HD2 ARG 139 HD2 ARG 139 -6.670 13.064 25.475 1096 HD3 ARG 139 HD3 ARG 139 -6.895 12.711 27.188 1097 HE ARG 139 HE ARG 139 -7.629 15.381 26.327 1098 HH11 ARG 139 HH11 ARG 139 -8.708 12.120 27.076 1099 HH12 ARG 139 HH12 ARG 139 -10.370 12.604 27.272 1100 HH21 ARG 139 HH21 ARG 139 -9.811 15.994 26.572 1101 HH22 ARG 139 HH22 ARG 139 -10.999 14.800 26.966 1102 H LYS 140 H LYS 140 -0.571 14.735 26.509 1103 HA LYS 140 HA LYS 140 -1.218 17.262 25.475 1104 HB2 LYS 140 HB2 LYS 140 0.903 16.644 26.651 1105 HB3 LYS 140 HB3 LYS 140 1.401 15.783 25.201 1106 HG2 LYS 140 HG2 LYS 140 0.613 18.615 24.875 1107 HG3 LYS 140 HG3 LYS 140 2.129 18.285 25.715 1108 HD2 LYS 140 HD2 LYS 140 1.499 16.972 23.103 1109 HD3 LYS 140 HD3 LYS 140 2.159 18.606 23.154 1110 HE2 LYS 140 HE2 LYS 140 3.953 17.050 22.884 1111 HE3 LYS 140 HE3 LYS 140 4.047 17.759 24.488 1112 HZ1 LYS 140 HZ1 LYS 140 4.472 15.400 24.599 1113 HZ2 LYS 140 HZ2 LYS 140 3.009 15.052 23.820 1114 HZ3 LYS 140 HZ3 LYS 140 3.004 15.725 25.375 1115 H ILE 141 H ILE 141 -1.631 17.953 23.512 1116 HA ILE 141 HA ILE 141 -1.752 15.895 21.415 1117 HB ILE 141 HB ILE 141 -3.935 16.481 22.331 1118 HG12 ILE 141 HG12 ILE 141 -3.495 17.542 19.533 1119 HG13 ILE 141 HG13 ILE 141 -3.848 15.872 19.979 1120 HG21 ILE 141 HG21 ILE 141 -3.301 19.290 21.466 1121 HG22 ILE 141 HG22 ILE 141 -3.471 18.711 23.124 1122 HG23 ILE 141 HG23 ILE 141 -4.868 18.731 22.048 1123 HD11 ILE 141 HD11 ILE 141 -5.700 18.205 20.416 1124 HD12 ILE 141 HD12 ILE 141 -6.048 16.508 20.743 1125 HD13 ILE 141 HD13 ILE 141 -5.804 17.055 19.084 1126 H PHE 142 H PHE 142 -0.957 16.348 19.471 1127 HA PHE 142 HA PHE 142 -0.200 19.130 18.860 1128 HB2 PHE 142 HB2 PHE 142 0.747 16.561 17.556 1129 HB3 PHE 142 HB3 PHE 142 1.252 18.177 17.104 1130 HD1 PHE 142 HD1 PHE 142 3.090 19.164 18.095 1131 HD2 PHE 142 HD2 PHE 142 1.346 15.734 19.910 1132 HE1 PHE 142 HE1 PHE 142 5.012 18.993 19.616 1133 HE2 PHE 142 HE2 PHE 142 3.261 15.561 21.429 1134 HZ PHE 142 HZ PHE 142 5.098 17.191 21.285 1135 H VAL 143 H VAL 143 -1.642 20.116 17.561 1136 HA VAL 143 HA VAL 143 -3.191 18.465 15.677 1137 HB VAL 143 HB VAL 143 -3.648 21.357 16.411 1138 HG11 VAL 143 HG11 VAL 143 -5.342 19.384 14.888 1139 HG12 VAL 143 HG12 VAL 143 -4.524 20.800 14.227 1140 HG13 VAL 143 HG13 VAL 143 -5.855 21.001 15.366 1141 HG21 VAL 143 HG21 VAL 143 -3.986 19.923 18.355 1142 HG22 VAL 143 HG22 VAL 143 -5.070 18.898 17.415 1143 HG23 VAL 143 HG23 VAL 143 -5.523 20.565 17.770 1144 H ALA 144 H ALA 144 -2.025 18.193 13.910 1145 HA ALA 144 HA ALA 144 -0.616 20.502 12.771 1146 HB1 ALA 144 HB1 ALA 144 0.592 18.881 11.401 1147 HB2 ALA 144 HB2 ALA 144 -0.373 17.574 12.091 1148 HB3 ALA 144 HB3 ALA 144 0.730 18.493 13.117 1149 H THR 145 H THR 145 -1.770 21.626 11.357 1150 HA THR 145 HA THR 145 -3.934 20.381 9.869 1151 HB THR 145 HB THR 145 -2.976 23.251 9.757 1152 HG1 THR 145 HG1 THR 145 -4.180 21.909 11.747 1153 HG21 THR 145 HG21 THR 145 -5.268 23.702 8.985 1154 HG22 THR 145 HG22 THR 145 -5.615 21.974 9.018 1155 HG23 THR 145 HG23 THR 145 -4.417 22.612 7.892 1156 H GLU 146 H GLU 146 -3.907 19.929 7.732 1157 HA GLU 146 HA GLU 146 -1.524 19.414 6.415 1158 HB2 GLU 146 HB2 GLU 146 -3.831 18.476 5.910 1159 HB3 GLU 146 HB3 GLU 146 -4.141 19.960 5.020 1160 HG2 GLU 146 HG2 GLU 146 -2.213 19.460 3.568 1161 HG3 GLU 146 HG3 GLU 146 -1.992 17.936 4.429 1162 H VAL 147 H VAL 147 -0.094 20.671 5.527 1163 HA VAL 147 HA VAL 147 -0.900 23.348 4.640 1164 HB VAL 147 HB VAL 147 0.649 23.433 6.513 1165 HG11 VAL 147 HG11 VAL 147 2.518 21.853 4.772 1166 HG12 VAL 147 HG12 VAL 147 1.726 21.292 6.243 1167 HG13 VAL 147 HG13 VAL 147 2.927 22.579 6.326 1168 HG21 VAL 147 HG21 VAL 147 0.809 25.183 4.831 1169 HG22 VAL 147 HG22 VAL 147 1.990 24.227 3.936 1170 HG23 VAL 147 HG23 VAL 147 2.387 24.839 5.548 1171 H LYS 148 H LYS 148 -0.780 23.740 2.553 1172 HA LYS 148 HA LYS 148 0.098 21.620 0.813 1173 HB2 LYS 148 HB2 LYS 148 -0.901 23.122 -0.956 1174 HB3 LYS 148 HB3 LYS 148 -2.002 22.524 0.276 1175 HG2 LYS 148 HG2 LYS 148 -2.576 24.584 0.829 1176 HG3 LYS 148 HG3 LYS 148 -0.887 25.025 1.113 1177 HD2 LYS 148 HD2 LYS 148 -1.998 26.420 -0.611 1178 HD3 LYS 148 HD3 LYS 148 -0.587 25.549 -1.215 1179 HE2 LYS 148 HE2 LYS 148 -2.043 23.848 -2.188 1180 HE3 LYS 148 HE3 LYS 148 -3.460 24.692 -1.564 1181 HZ1 LYS 148 HZ1 LYS 148 -1.540 25.780 -3.558 1182 HZ2 LYS 148 HZ2 LYS 148 -2.900 26.586 -2.953 1183 HZ3 LYS 148 HZ3 LYS 148 -3.094 25.193 -3.894 1184 H1 JPT 201 H7 UNK 201 -3.653 9.997 28.145 1185 H11 JPT 201 H11 UNK 201 -4.193 7.853 29.465 1186 H12 JPT 201 H12 UNK 201 -2.274 5.055 26.298 1187 H13 JPT 201 H13 UNK 201 -2.478 7.529 25.495 1188 H62 JPT 201 H62 UNK 201 -5.711 7.953 23.348 1189 H61 JPT 201 H61 UNK 201 -7.438 8.369 23.368 1190 H3 JPT 201 H3 UNK 201 -6.292 9.352 21.564 1191 H4 JPT 201 H4 UNK 201 -6.760 10.676 28.971 1192 H2 JPT 201 H2 UNK 201 -8.316 10.004 24.884 Start of MODEL 9 1 HA MET 1 HA MET 1 -1.019 -1.469 -0.893 2 HB2 MET 1 HB2 MET 1 -1.032 -3.554 -3.083 3 HB3 MET 1 HB3 MET 1 0.372 -3.187 -2.087 4 HG2 MET 1 HG2 MET 1 -2.275 -4.267 -1.142 5 HG3 MET 1 HG3 MET 1 -0.754 -5.153 -1.261 6 HE1 MET 1 HE1 MET 1 -1.298 -4.852 2.613 7 HE2 MET 1 HE2 MET 1 -1.017 -5.956 1.266 8 HE3 MET 1 HE3 MET 1 -2.541 -5.076 1.381 9 H GLN 2 H GLN 2 0.486 -0.018 -1.330 10 HA GLN 2 HA GLN 2 1.666 1.595 -2.377 11 HB2 GLN 2 HB2 GLN 2 1.045 0.064 -4.891 12 HB3 GLN 2 HB3 GLN 2 2.146 1.434 -4.808 13 HG2 GLN 2 HG2 GLN 2 3.612 0.215 -3.325 14 HG3 GLN 2 HG3 GLN 2 2.480 -1.135 -3.273 15 HE21 GLN 2 HE21 GLN 2 4.854 0.545 -5.166 16 HE22 GLN 2 HE22 GLN 2 5.041 -0.673 -6.383 17 H ALA 3 H ALA 3 -0.922 0.851 -4.539 18 HA ALA 3 HA ALA 3 -1.855 3.627 -4.463 19 HB1 ALA 3 HB1 ALA 3 -2.775 1.326 -6.195 20 HB2 ALA 3 HB2 ALA 3 -1.647 2.593 -6.679 21 HB3 ALA 3 HB3 ALA 3 -3.325 2.998 -6.315 22 H LYS 4 H LYS 4 -4.233 3.920 -4.241 23 HA LYS 4 HA LYS 4 -5.984 3.942 -2.832 24 HB2 LYS 4 HB2 LYS 4 -5.701 1.183 -3.760 25 HB3 LYS 4 HB3 LYS 4 -6.742 1.390 -2.360 26 HG2 LYS 4 HG2 LYS 4 -7.027 2.846 -4.983 27 HG3 LYS 4 HG3 LYS 4 -7.974 1.442 -4.488 28 HD2 LYS 4 HD2 LYS 4 -7.915 4.129 -3.114 29 HD3 LYS 4 HD3 LYS 4 -9.221 3.502 -4.121 30 HE2 LYS 4 HE2 LYS 4 -9.550 1.663 -2.526 31 HE3 LYS 4 HE3 LYS 4 -8.264 2.320 -1.514 32 HZ1 LYS 4 HZ1 LYS 4 -10.376 3.012 -0.655 33 HZ2 LYS 4 HZ2 LYS 4 -10.854 3.618 -2.160 34 HZ3 LYS 4 HZ3 LYS 4 -9.596 4.371 -1.306 35 HA PRO 5 HA PRO 5 -3.674 3.195 1.026 36 HB2 PRO 5 HB2 PRO 5 -4.144 5.623 2.103 37 HB3 PRO 5 HB3 PRO 5 -2.854 5.343 0.932 38 HG2 PRO 5 HG2 PRO 5 -5.532 6.584 0.539 39 HG3 PRO 5 HG3 PRO 5 -3.977 7.007 -0.195 40 HD2 PRO 5 HD2 PRO 5 -5.961 5.515 -1.424 41 HD3 PRO 5 HD3 PRO 5 -4.250 5.504 -1.891 42 H GLN 6 H GLN 6 -4.555 2.370 2.843 43 HA GLN 6 HA GLN 6 -7.207 3.131 3.734 44 HB2 GLN 6 HB2 GLN 6 -8.057 0.802 3.625 45 HB3 GLN 6 HB3 GLN 6 -7.735 1.467 2.029 46 HG2 GLN 6 HG2 GLN 6 -5.640 0.253 1.915 47 HG3 GLN 6 HG3 GLN 6 -5.889 -0.368 3.544 48 HE21 GLN 6 HE21 GLN 6 -8.491 -0.051 1.246 49 HE22 GLN 6 HE22 GLN 6 -8.723 -1.744 0.977 50 H ILE 7 H ILE 7 -7.715 2.215 5.858 51 HA ILE 7 HA ILE 7 -5.372 1.234 7.311 52 HB ILE 7 HB ILE 7 -8.142 1.939 8.313 53 HG12 ILE 7 HG12 ILE 7 -6.660 3.675 9.598 54 HG13 ILE 7 HG13 ILE 7 -5.515 3.376 8.295 55 HG21 ILE 7 HG21 ILE 7 -5.717 1.102 9.888 56 HG22 ILE 7 HG22 ILE 7 -7.185 0.152 9.655 57 HG23 ILE 7 HG23 ILE 7 -7.247 1.661 10.565 58 HD11 ILE 7 HD11 ILE 7 -8.332 4.397 8.008 59 HD12 ILE 7 HD12 ILE 7 -7.232 4.036 6.672 60 HD13 ILE 7 HD13 ILE 7 -6.840 5.321 7.812 61 HA PRO 8 HA PRO 8 -7.001 -2.885 6.264 62 HB2 PRO 8 HB2 PRO 8 -4.431 -3.721 7.435 63 HB3 PRO 8 HB3 PRO 8 -5.102 -4.054 5.834 64 HG2 PRO 8 HG2 PRO 8 -3.053 -2.372 6.154 65 HG3 PRO 8 HG3 PRO 8 -4.318 -2.075 4.947 66 HD2 PRO 8 HD2 PRO 8 -3.970 -0.845 7.662 67 HD3 PRO 8 HD3 PRO 8 -4.400 -0.066 6.124 68 H LYS 9 H LYS 9 -7.345 -4.814 7.469 69 HA LYS 9 HA LYS 9 -8.039 -4.268 10.202 70 HB2 LYS 9 HB2 LYS 9 -9.090 -6.467 10.217 71 HB3 LYS 9 HB3 LYS 9 -9.588 -5.555 8.799 72 HG2 LYS 9 HG2 LYS 9 -7.332 -7.518 8.682 73 HG3 LYS 9 HG3 LYS 9 -9.011 -8.025 8.500 74 HD2 LYS 9 HD2 LYS 9 -9.278 -6.796 6.528 75 HD3 LYS 9 HD3 LYS 9 -7.846 -5.813 6.843 76 HE2 LYS 9 HE2 LYS 9 -7.392 -7.421 5.094 77 HE3 LYS 9 HE3 LYS 9 -6.440 -7.780 6.533 78 HZ1 LYS 9 HZ1 LYS 9 -7.862 -9.577 7.079 79 HZ2 LYS 9 HZ2 LYS 9 -7.500 -9.746 5.428 80 HZ3 LYS 9 HZ3 LYS 9 -9.005 -9.132 5.905 81 H ASP 10 H ASP 10 -5.480 -5.787 8.502 82 HA ASP 10 HA ASP 10 -4.468 -7.341 10.689 83 HB2 ASP 10 HB2 ASP 10 -3.943 -7.841 8.287 84 HB3 ASP 10 HB3 ASP 10 -2.993 -6.363 8.227 85 H LYS 11 H LYS 11 -3.741 -6.419 12.454 86 HA LYS 11 HA LYS 11 -3.006 -3.619 12.419 87 HB2 LYS 11 HB2 LYS 11 -3.292 -5.535 14.744 88 HB3 LYS 11 HB3 LYS 11 -3.196 -3.778 14.843 89 HG2 LYS 11 HG2 LYS 11 -5.298 -3.507 13.795 90 HG3 LYS 11 HG3 LYS 11 -5.355 -5.199 13.312 91 HD2 LYS 11 HD2 LYS 11 -5.356 -5.728 15.815 92 HD3 LYS 11 HD3 LYS 11 -5.719 -4.012 16.054 93 HE2 LYS 11 HE2 LYS 11 -7.767 -5.309 16.011 94 HE3 LYS 11 HE3 LYS 11 -7.686 -4.229 14.620 95 HZ1 LYS 11 HZ1 LYS 11 -7.161 -7.154 14.635 96 HZ2 LYS 11 HZ2 LYS 11 -6.910 -6.150 13.293 97 HZ3 LYS 11 HZ3 LYS 11 -8.472 -6.357 13.916 98 H SER 12 H SER 12 -1.285 -6.192 11.659 99 HA SER 12 HA SER 12 1.125 -5.273 13.084 100 HB2 SER 12 HB2 SER 12 0.440 -7.701 13.324 101 HB3 SER 12 HB3 SER 12 0.787 -7.890 11.608 102 HG SER 12 HG SER 12 2.663 -8.422 12.519 103 H LYS 13 H LYS 13 -0.454 -4.656 10.371 104 HA LYS 13 HA LYS 13 1.830 -4.723 8.552 105 HB2 LYS 13 HB2 LYS 13 -1.058 -3.961 8.182 106 HB3 LYS 13 HB3 LYS 13 0.159 -3.654 6.954 107 HG2 LYS 13 HG2 LYS 13 0.648 -6.100 6.942 108 HG3 LYS 13 HG3 LYS 13 -0.744 -6.317 8.009 109 HD2 LYS 13 HD2 LYS 13 -2.202 -5.308 6.346 110 HD3 LYS 13 HD3 LYS 13 -0.817 -5.014 5.292 111 HE2 LYS 13 HE2 LYS 13 -1.819 -7.721 6.172 112 HE3 LYS 13 HE3 LYS 13 -2.102 -6.983 4.595 113 HZ1 LYS 13 HZ1 LYS 13 -0.301 -8.469 4.355 114 HZ2 LYS 13 HZ2 LYS 13 0.483 -7.879 5.740 115 HZ3 LYS 13 HZ3 LYS 13 0.376 -6.911 4.352 116 H VAL 14 H VAL 14 2.078 -2.674 7.187 117 HA VAL 14 HA VAL 14 2.092 -0.338 8.986 118 HB VAL 14 HB VAL 14 3.804 -0.824 6.537 119 HG11 VAL 14 HG11 VAL 14 3.418 1.537 6.937 120 HG12 VAL 14 HG12 VAL 14 5.084 1.117 7.333 121 HG13 VAL 14 HG13 VAL 14 3.903 1.353 8.622 122 HG21 VAL 14 HG21 VAL 14 4.506 -1.019 9.465 123 HG22 VAL 14 HG22 VAL 14 5.659 -1.107 8.132 124 HG23 VAL 14 HG23 VAL 14 4.424 -2.353 8.313 125 H ALA 15 H ALA 15 0.559 1.126 8.542 126 HA ALA 15 HA ALA 15 -0.725 1.135 5.928 127 HB1 ALA 15 HB1 ALA 15 -2.129 1.265 7.931 128 HB2 ALA 15 HB2 ALA 15 -2.320 2.703 6.928 129 HB3 ALA 15 HB3 ALA 15 -1.340 2.772 8.393 130 H GLY 16 H GLY 16 1.570 2.955 7.747 131 HA2 GLY 16 HA2 GLY 16 2.436 4.453 5.516 132 HA3 GLY 16 HA3 GLY 16 1.421 5.459 6.544 133 H TYR 17 H TYR 17 3.711 6.527 6.482 134 HA TYR 17 HA TYR 17 5.100 5.597 8.910 135 HB2 TYR 17 HB2 TYR 17 6.367 6.850 6.463 136 HB3 TYR 17 HB3 TYR 17 7.212 6.442 7.951 137 HD1 TYR 17 HD1 TYR 17 5.728 5.141 4.882 138 HD2 TYR 17 HD2 TYR 17 7.656 4.113 8.533 139 HE1 TYR 17 HE1 TYR 17 6.153 2.881 4.015 140 HE2 TYR 17 HE2 TYR 17 8.095 1.854 7.675 141 HH TYR 17 HH TYR 17 7.866 1.012 4.475 142 H ILE 18 H ILE 18 5.608 7.126 10.395 143 HA ILE 18 HA ILE 18 4.588 9.824 9.862 144 HB ILE 18 HB ILE 18 3.600 8.781 11.817 145 HG12 ILE 18 HG12 ILE 18 4.198 10.476 13.542 146 HG13 ILE 18 HG13 ILE 18 5.559 10.967 12.536 147 HG21 ILE 18 HG21 ILE 18 6.405 8.510 12.855 148 HG22 ILE 18 HG22 ILE 18 5.319 7.200 12.398 149 HG23 ILE 18 HG23 ILE 18 4.944 8.209 13.794 150 HD11 ILE 18 HD11 ILE 18 2.658 11.109 11.759 151 HD12 ILE 18 HD12 ILE 18 4.026 11.615 10.765 152 HD13 ILE 18 HD13 ILE 18 3.666 12.464 12.269 153 H GLU 19 H GLU 19 6.052 11.168 9.176 154 HA GLU 19 HA GLU 19 8.806 10.888 10.156 155 HB2 GLU 19 HB2 GLU 19 7.804 11.953 7.517 156 HB3 GLU 19 HB3 GLU 19 9.477 12.044 8.044 157 HG2 GLU 19 HG2 GLU 19 9.515 9.569 8.173 158 HG3 GLU 19 HG3 GLU 19 7.885 9.552 7.499 159 H ILE 20 H ILE 20 9.246 12.323 11.612 160 HA ILE 20 HA ILE 20 8.497 15.125 11.089 161 HB ILE 20 HB ILE 20 8.864 13.914 13.839 162 HG12 ILE 20 HG12 ILE 20 6.255 14.691 12.522 163 HG13 ILE 20 HG13 ILE 20 6.849 13.035 12.592 164 HG21 ILE 20 HG21 ILE 20 7.794 16.585 12.932 165 HG22 ILE 20 HG22 ILE 20 9.351 16.291 13.708 166 HG23 ILE 20 HG23 ILE 20 7.855 16.019 14.603 167 HD11 ILE 20 HD11 ILE 20 5.204 13.476 14.319 168 HD12 ILE 20 HD12 ILE 20 6.212 14.774 14.963 169 HD13 ILE 20 HD13 ILE 20 6.779 13.104 15.016 170 HA PRO 21 HA PRO 21 13.039 14.718 10.739 171 HB2 PRO 21 HB2 PRO 21 13.299 17.216 9.576 172 HB3 PRO 21 HB3 PRO 21 13.032 15.711 8.691 173 HG2 PRO 21 HG2 PRO 21 11.070 17.815 9.494 174 HG3 PRO 21 HG3 PRO 21 11.162 16.880 7.990 175 HD2 PRO 21 HD2 PRO 21 9.375 16.297 9.906 176 HD3 PRO 21 HD3 PRO 21 10.146 15.026 8.932 177 H ASP 22 H ASP 22 11.137 17.361 12.033 178 HA ASP 22 HA ASP 22 13.289 18.717 13.301 179 HB2 ASP 22 HB2 ASP 22 10.977 19.652 12.728 180 HB3 ASP 22 HB3 ASP 22 10.401 18.816 14.163 181 H ALA 23 H ALA 23 11.326 15.975 14.123 182 HA ALA 23 HA ALA 23 12.428 15.988 16.849 183 HB1 ALA 23 HB1 ALA 23 10.633 14.462 17.444 184 HB2 ALA 23 HB2 ALA 23 10.079 14.430 15.770 185 HB3 ALA 23 HB3 ALA 23 9.974 15.921 16.707 186 H ASP 24 H ASP 24 13.229 14.919 13.954 187 HA ASP 24 HA ASP 24 14.579 13.303 13.119 188 HB2 ASP 24 HB2 ASP 24 15.904 13.925 15.155 189 HB3 ASP 24 HB3 ASP 24 15.123 12.604 16.013 190 H ILE 25 H ILE 25 11.752 12.761 13.865 191 HA ILE 25 HA ILE 25 11.756 9.923 14.563 192 HB ILE 25 HB ILE 25 9.598 12.027 14.495 193 HG12 ILE 25 HG12 ILE 25 10.697 10.317 16.742 194 HG13 ILE 25 HG13 ILE 25 11.120 12.000 16.440 195 HG21 ILE 25 HG21 ILE 25 8.030 10.299 15.301 196 HG22 ILE 25 HG22 ILE 25 9.264 9.068 15.025 197 HG23 ILE 25 HG23 ILE 25 8.601 9.974 13.664 198 HD11 ILE 25 HD11 ILE 25 8.394 10.959 17.173 199 HD12 ILE 25 HD12 ILE 25 8.796 12.646 16.848 200 HD13 ILE 25 HD13 ILE 25 9.506 11.821 18.237 201 H LYS 26 H LYS 26 11.541 8.412 13.062 202 HA LYS 26 HA LYS 26 9.810 8.893 10.754 203 HB2 LYS 26 HB2 LYS 26 12.639 7.835 10.540 204 HB3 LYS 26 HB3 LYS 26 11.442 7.667 9.269 205 HG2 LYS 26 HG2 LYS 26 12.613 9.501 8.554 206 HG3 LYS 26 HG3 LYS 26 11.296 10.264 9.444 207 HD2 LYS 26 HD2 LYS 26 13.406 11.326 10.000 208 HD3 LYS 26 HD3 LYS 26 12.772 10.471 11.408 209 HE2 LYS 26 HE2 LYS 26 14.289 8.628 11.014 210 HE3 LYS 26 HE3 LYS 26 14.868 9.383 9.529 211 HZ1 LYS 26 HZ1 LYS 26 16.432 9.791 11.266 212 HZ2 LYS 26 HZ2 LYS 26 15.235 10.395 12.297 213 HZ3 LYS 26 HZ3 LYS 26 15.666 11.257 10.904 214 H GLU 27 H GLU 27 8.329 7.563 11.842 215 HA GLU 27 HA GLU 27 9.200 4.783 12.336 216 HB2 GLU 27 HB2 GLU 27 7.278 6.520 13.877 217 HB3 GLU 27 HB3 GLU 27 7.364 4.778 14.091 218 HG2 GLU 27 HG2 GLU 27 9.688 6.645 14.477 219 HG3 GLU 27 HG3 GLU 27 8.627 6.089 15.772 220 HA PRO 28 HA PRO 28 5.786 3.477 9.787 221 HB2 PRO 28 HB2 PRO 28 5.673 0.960 11.219 222 HB3 PRO 28 HB3 PRO 28 6.273 1.278 9.591 223 HG2 PRO 28 HG2 PRO 28 7.878 0.555 11.676 224 HG3 PRO 28 HG3 PRO 28 8.434 1.519 10.297 225 HD2 PRO 28 HD2 PRO 28 7.660 2.411 13.045 226 HD3 PRO 28 HD3 PRO 28 8.983 2.979 12.003 227 H VAL 29 H VAL 29 3.659 3.798 9.960 228 HA VAL 29 HA VAL 29 2.418 3.793 12.602 229 HB VAL 29 HB VAL 29 1.240 4.610 9.937 230 HG11 VAL 29 HG11 VAL 29 -0.488 5.708 11.291 231 HG12 VAL 29 HG12 VAL 29 0.243 5.048 12.753 232 HG13 VAL 29 HG13 VAL 29 -0.464 3.964 11.555 233 HG21 VAL 29 HG21 VAL 29 3.077 6.063 10.506 234 HG22 VAL 29 HG22 VAL 29 2.451 6.269 12.141 235 HG23 VAL 29 HG23 VAL 29 1.556 6.919 10.767 236 H TYR 30 H TYR 30 1.426 2.077 13.313 237 HA TYR 30 HA TYR 30 0.713 -0.048 11.438 238 HB2 TYR 30 HB2 TYR 30 1.042 -0.037 14.446 239 HB3 TYR 30 HB3 TYR 30 0.512 -1.441 13.522 240 HD1 TYR 30 HD1 TYR 30 3.352 0.464 14.654 241 HD2 TYR 30 HD2 TYR 30 2.058 -2.366 11.756 242 HE1 TYR 30 HE1 TYR 30 5.696 -0.136 14.196 243 HE2 TYR 30 HE2 TYR 30 4.385 -2.974 11.288 244 HH TYR 30 HH TYR 30 6.636 -1.942 11.501 245 HA PRO 31 HA PRO 31 -3.464 1.480 11.663 246 HB2 PRO 31 HB2 PRO 31 -4.531 -0.486 10.101 247 HB3 PRO 31 HB3 PRO 31 -3.655 0.905 9.452 248 HG2 PRO 31 HG2 PRO 31 -2.677 -1.878 9.962 249 HG3 PRO 31 HG3 PRO 31 -2.398 -0.834 8.554 250 HD2 PRO 31 HD2 PRO 31 -0.549 -1.136 10.475 251 HD3 PRO 31 HD3 PRO 31 -0.783 0.413 9.640 252 H GLY 32 H GLY 32 -4.906 1.133 13.241 253 HA2 GLY 32 HA2 GLY 32 -6.132 -1.283 13.804 254 HA3 GLY 32 HA3 GLY 32 -4.759 -1.159 14.893 255 HA PRO 33 HA PRO 33 -8.346 1.186 16.714 256 HB2 PRO 33 HB2 PRO 33 -9.260 -0.580 18.468 257 HB3 PRO 33 HB3 PRO 33 -9.634 -0.730 16.751 258 HG2 PRO 33 HG2 PRO 33 -7.604 -2.224 18.365 259 HG3 PRO 33 HG3 PRO 33 -8.716 -2.841 17.130 260 HD2 PRO 33 HD2 PRO 33 -6.062 -2.172 16.709 261 HD3 PRO 33 HD3 PRO 33 -7.300 -2.307 15.445 262 H ALA 34 H ALA 34 -5.496 1.094 17.263 263 HA ALA 34 HA ALA 34 -3.971 1.785 18.805 264 HB1 ALA 34 HB1 ALA 34 -6.377 2.465 20.499 265 HB2 ALA 34 HB2 ALA 34 -5.616 3.534 19.319 266 HB3 ALA 34 HB3 ALA 34 -4.727 3.031 20.757 267 H THR 35 H THR 35 -4.866 -0.960 18.719 268 HA THR 35 HA THR 35 -5.148 -2.089 21.267 269 HB THR 35 HB THR 35 -3.850 -4.025 19.809 270 HG1 THR 35 HG1 THR 35 -3.772 -3.314 17.822 271 HG21 THR 35 HG21 THR 35 -6.092 -4.870 19.304 272 HG22 THR 35 HG22 THR 35 -6.782 -3.296 19.702 273 HG23 THR 35 HG23 THR 35 -6.003 -4.261 20.956 274 HA PRO 36 HA PRO 36 -1.469 -1.386 23.438 275 HB2 PRO 36 HB2 PRO 36 -1.600 -4.300 24.092 276 HB3 PRO 36 HB3 PRO 36 -1.388 -2.913 25.167 277 HG2 PRO 36 HG2 PRO 36 -3.749 -4.106 24.982 278 HG3 PRO 36 HG3 PRO 36 -3.638 -2.339 25.088 279 HD2 PRO 36 HD2 PRO 36 -4.243 -4.064 22.736 280 HD3 PRO 36 HD3 PRO 36 -4.847 -2.445 23.136 281 H GLU 37 H GLU 37 -1.361 -4.530 21.724 282 HA GLU 37 HA GLU 37 1.421 -4.815 21.828 283 HB2 GLU 37 HB2 GLU 37 -0.538 -5.923 19.820 284 HB3 GLU 37 HB3 GLU 37 1.130 -6.449 19.983 285 HG2 GLU 37 HG2 GLU 37 0.650 -7.144 22.298 286 HG3 GLU 37 HG3 GLU 37 -1.039 -6.699 22.050 287 H GLN 38 H GLN 38 -0.596 -3.034 19.606 288 HA GLN 38 HA GLN 38 1.374 -2.671 17.586 289 HB2 GLN 38 HB2 GLN 38 -1.198 -1.293 18.288 290 HB3 GLN 38 HB3 GLN 38 -0.131 -0.598 17.078 291 HG2 GLN 38 HG2 GLN 38 -1.975 -2.009 16.174 292 HG3 GLN 38 HG3 GLN 38 -0.360 -2.483 15.661 293 HE21 GLN 38 HE21 GLN 38 0.449 -4.448 16.284 294 HE22 GLN 38 HE22 GLN 38 -0.503 -5.660 17.069 295 H LEU 39 H LEU 39 0.417 -0.867 20.454 296 HA LEU 39 HA LEU 39 2.210 1.317 19.936 297 HB2 LEU 39 HB2 LEU 39 0.520 0.547 22.303 298 HB3 LEU 39 HB3 LEU 39 1.620 1.909 22.353 299 HG LEU 39 HG LEU 39 -0.544 2.770 21.911 300 HD11 LEU 39 HD11 LEU 39 1.002 2.669 19.330 301 HD12 LEU 39 HD12 LEU 39 1.243 3.818 20.646 302 HD13 LEU 39 HD13 LEU 39 -0.264 3.830 19.729 303 HD21 LEU 39 HD21 LEU 39 -1.931 2.052 20.043 304 HD22 LEU 39 HD22 LEU 39 -1.621 0.720 21.157 305 HD23 LEU 39 HD23 LEU 39 -0.744 0.815 19.630 306 H ASN 40 H ASN 40 2.652 -1.787 21.013 307 HA ASN 40 HA ASN 40 4.796 -1.222 22.864 308 HB2 ASN 40 HB2 ASN 40 3.622 -3.731 21.699 309 HB3 ASN 40 HB3 ASN 40 5.144 -3.779 22.582 310 HD21 ASN 40 HD21 ASN 40 4.202 -5.091 24.158 311 HD22 ASN 40 HD22 ASN 40 3.122 -4.454 25.343 312 H ARG 41 H ARG 41 4.442 -1.377 19.502 313 HA ARG 41 HA ARG 41 7.358 -1.632 19.201 314 HB2 ARG 41 HB2 ARG 41 6.959 -2.693 16.988 315 HB3 ARG 41 HB3 ARG 41 6.401 -3.656 18.347 316 HG2 ARG 41 HG2 ARG 41 4.101 -2.863 17.919 317 HG3 ARG 41 HG3 ARG 41 4.697 -1.996 16.502 318 HD2 ARG 41 HD2 ARG 41 4.876 -4.973 16.949 319 HD3 ARG 41 HD3 ARG 41 3.705 -4.162 15.911 320 HE ARG 41 HE ARG 41 6.349 -3.452 15.171 321 HH11 ARG 41 HH11 ARG 41 4.066 -6.105 14.984 322 HH12 ARG 41 HH12 ARG 41 4.760 -6.775 13.543 323 HH21 ARG 41 HH21 ARG 41 7.248 -4.307 13.265 324 HH22 ARG 41 HH22 ARG 41 6.565 -5.733 12.545 325 H GLY 42 H GLY 42 4.392 -0.104 18.028 326 HA2 GLY 42 HA2 GLY 42 5.976 2.135 17.063 327 HA3 GLY 42 HA3 GLY 42 5.086 1.258 15.828 328 H VAL 43 H VAL 43 4.121 3.460 15.582 329 HA VAL 43 HA VAL 43 2.194 4.183 17.640 330 HB VAL 43 HB VAL 43 1.627 6.072 16.056 331 HG11 VAL 43 HG11 VAL 43 3.116 6.398 17.945 332 HG12 VAL 43 HG12 VAL 43 3.665 7.340 16.560 333 HG13 VAL 43 HG13 VAL 43 4.485 5.838 16.986 334 HG21 VAL 43 HG21 VAL 43 3.229 6.571 14.273 335 HG22 VAL 43 HG22 VAL 43 2.405 5.038 13.986 336 HG23 VAL 43 HG23 VAL 43 4.061 5.049 14.593 337 H SER 44 H SER 44 -0.063 4.417 17.177 338 HA SER 44 HA SER 44 -1.035 2.950 14.836 339 HB2 SER 44 HB2 SER 44 -0.852 1.400 16.850 340 HB3 SER 44 HB3 SER 44 -2.091 2.390 17.618 341 HG SER 44 HG SER 44 -2.345 0.991 15.152 342 H PHE 45 H PHE 45 -3.502 3.192 14.714 343 HA PHE 45 HA PHE 45 -4.102 6.000 15.043 344 HB2 PHE 45 HB2 PHE 45 -5.632 3.726 13.771 345 HB3 PHE 45 HB3 PHE 45 -6.253 5.371 13.874 346 HD1 PHE 45 HD1 PHE 45 -4.394 7.174 13.066 347 HD2 PHE 45 HD2 PHE 45 -4.726 3.141 11.751 348 HE1 PHE 45 HE1 PHE 45 -3.234 7.762 10.979 349 HE2 PHE 45 HE2 PHE 45 -3.570 3.724 9.659 350 HZ PHE 45 HZ PHE 45 -2.822 6.044 9.274 351 H ALA 46 H ALA 46 -5.915 6.812 16.159 352 HA ALA 46 HA ALA 46 -6.405 5.525 18.654 353 HB1 ALA 46 HB1 ALA 46 -7.812 7.901 17.437 354 HB2 ALA 46 HB2 ALA 46 -6.348 7.962 18.420 355 HB3 ALA 46 HB3 ALA 46 -7.865 7.409 19.130 356 H GLU 47 H GLU 47 -8.376 6.094 15.756 357 HA GLU 47 HA GLU 47 -10.402 4.254 16.817 358 HB2 GLU 47 HB2 GLU 47 -10.526 6.766 15.351 359 HB3 GLU 47 HB3 GLU 47 -11.512 5.504 14.626 360 HG2 GLU 47 HG2 GLU 47 -11.650 6.263 17.526 361 HG3 GLU 47 HG3 GLU 47 -12.673 6.963 16.276 362 H GLU 48 H GLU 48 -11.382 2.773 15.403 363 HA GLU 48 HA GLU 48 -9.729 1.947 13.128 364 HB2 GLU 48 HB2 GLU 48 -10.359 0.256 14.842 365 HB3 GLU 48 HB3 GLU 48 -12.052 0.539 14.478 366 HG2 GLU 48 HG2 GLU 48 -10.373 -0.199 12.177 367 HG3 GLU 48 HG3 GLU 48 -10.574 -1.442 13.409 368 H ASN 49 H ASN 49 -12.667 3.472 14.007 369 HA ASN 49 HA ASN 49 -14.076 3.217 11.529 370 HB2 ASN 49 HB2 ASN 49 -15.221 3.788 13.630 371 HB3 ASN 49 HB3 ASN 49 -14.287 5.272 13.753 372 HD21 ASN 49 HD21 ASN 49 -16.928 3.662 12.201 373 HD22 ASN 49 HD22 ASN 49 -17.587 5.062 11.422 374 H GLU 50 H GLU 50 -11.292 4.806 12.396 375 HA GLU 50 HA GLU 50 -11.663 7.306 11.069 376 HB2 GLU 50 HB2 GLU 50 -10.185 6.796 13.083 377 HB3 GLU 50 HB3 GLU 50 -9.059 6.069 11.948 378 HG2 GLU 50 HG2 GLU 50 -8.650 8.140 10.891 379 HG3 GLU 50 HG3 GLU 50 -10.011 8.905 11.714 380 H SER 51 H SER 51 -10.566 8.025 9.204 381 HA SER 51 HA SER 51 -9.601 5.907 7.398 382 HB2 SER 51 HB2 SER 51 -11.406 8.189 6.541 383 HB3 SER 51 HB3 SER 51 -10.895 6.803 5.578 384 HG SER 51 HG SER 51 -12.782 6.949 7.659 385 H LEU 52 H LEU 52 -8.308 6.785 5.605 386 HA LEU 52 HA LEU 52 -6.432 8.676 6.647 387 HB2 LEU 52 HB2 LEU 52 -6.562 7.254 3.992 388 HB3 LEU 52 HB3 LEU 52 -5.208 8.230 4.537 389 HG LEU 52 HG LEU 52 -6.201 5.778 5.986 390 HD11 LEU 52 HD11 LEU 52 -4.167 4.699 5.076 391 HD12 LEU 52 HD12 LEU 52 -3.957 6.092 4.016 392 HD13 LEU 52 HD13 LEU 52 -5.386 5.074 3.859 393 HD21 LEU 52 HD21 LEU 52 -4.031 5.918 7.128 394 HD22 LEU 52 HD22 LEU 52 -5.028 7.342 7.420 395 HD23 LEU 52 HD23 LEU 52 -3.691 7.423 6.273 396 H ASP 53 H ASP 53 -9.143 8.884 4.506 397 HA ASP 53 HA ASP 53 -8.280 11.569 3.691 398 HB2 ASP 53 HB2 ASP 53 -9.069 9.996 1.906 399 HB3 ASP 53 HB3 ASP 53 -10.663 10.023 2.653 400 H ASP 54 H ASP 54 -9.796 10.229 6.187 401 HA ASP 54 HA ASP 54 -12.090 11.910 6.481 402 HB2 ASP 54 HB2 ASP 54 -11.644 9.738 7.752 403 HB3 ASP 54 HB3 ASP 54 -10.493 10.648 8.723 404 H GLN 55 H GLN 55 -12.218 13.705 8.062 405 HA GLN 55 HA GLN 55 -10.137 15.575 7.551 406 HB2 GLN 55 HB2 GLN 55 -12.663 15.973 8.065 407 HB3 GLN 55 HB3 GLN 55 -12.133 15.934 9.746 408 HG2 GLN 55 HG2 GLN 55 -10.340 17.652 8.745 409 HG3 GLN 55 HG3 GLN 55 -11.703 17.973 7.670 410 HE21 GLN 55 HE21 GLN 55 -10.502 18.129 10.897 411 HE22 GLN 55 HE22 GLN 55 -11.774 19.101 11.559 412 H ASN 56 H ASN 56 -10.794 13.330 10.091 413 HA ASN 56 HA ASN 56 -8.688 14.586 11.717 414 HB2 ASN 56 HB2 ASN 56 -11.047 14.731 12.638 415 HB3 ASN 56 HB3 ASN 56 -10.999 12.978 12.807 416 HD21 ASN 56 HD21 ASN 56 -8.282 15.103 13.246 417 HD22 ASN 56 HD22 ASN 56 -8.081 14.815 14.947 418 H ILE 57 H ILE 57 -6.918 13.374 11.483 419 HA ILE 57 HA ILE 57 -7.203 10.465 11.840 420 HB ILE 57 HB ILE 57 -4.942 12.007 10.543 421 HG12 ILE 57 HG12 ILE 57 -5.679 10.186 8.715 422 HG13 ILE 57 HG13 ILE 57 -7.224 10.410 9.527 423 HG21 ILE 57 HG21 ILE 57 -4.027 10.169 11.820 424 HG22 ILE 57 HG22 ILE 57 -3.922 9.828 10.092 425 HG23 ILE 57 HG23 ILE 57 -5.168 9.053 11.069 426 HD11 ILE 57 HD11 ILE 57 -5.553 12.578 8.300 427 HD12 ILE 57 HD12 ILE 57 -7.116 12.791 9.090 428 HD13 ILE 57 HD13 ILE 57 -7.002 11.858 7.595 429 H SER 58 H SER 58 -6.470 9.634 13.687 430 HA SER 58 HA SER 58 -4.938 11.442 15.452 431 HB2 SER 58 HB2 SER 58 -6.909 9.348 16.373 432 HB3 SER 58 HB3 SER 58 -6.219 10.679 17.305 433 HG SER 58 HG SER 58 -7.964 10.935 15.075 434 H ILE 59 H ILE 59 -2.971 10.714 15.853 435 HA ILE 59 HA ILE 59 -2.466 7.821 15.703 436 HB ILE 59 HB ILE 59 -0.492 10.108 15.541 437 HG12 ILE 59 HG12 ILE 59 -1.519 8.232 13.399 438 HG13 ILE 59 HG13 ILE 59 -1.939 9.933 13.556 439 HG21 ILE 59 HG21 ILE 59 0.500 8.128 16.538 440 HG22 ILE 59 HG22 ILE 59 1.133 8.378 14.911 441 HG23 ILE 59 HG23 ILE 59 -0.087 7.138 15.202 442 HD11 ILE 59 HD11 ILE 59 0.371 10.556 13.130 443 HD12 ILE 59 HD12 ILE 59 -0.275 9.569 11.819 444 HD13 ILE 59 HD13 ILE 59 0.813 8.853 13.007 445 H ALA 60 H ALA 60 -2.155 6.770 17.536 446 HA ALA 60 HA ALA 60 -1.733 8.274 20.006 447 HB1 ALA 60 HB1 ALA 60 -2.389 5.360 19.582 448 HB2 ALA 60 HB2 ALA 60 -3.549 6.636 19.953 449 HB3 ALA 60 HB3 ALA 60 -2.319 6.189 21.138 450 H GLY 61 H GLY 61 0.100 8.103 21.251 451 HA2 GLY 61 HA2 GLY 61 2.008 5.973 20.746 452 HA3 GLY 61 HA3 GLY 61 2.563 7.582 20.308 453 H HIS 62 H HIS 62 3.881 6.063 22.209 454 HA HIS 62 HA HIS 62 3.557 7.819 24.522 455 HB2 HIS 62 HB2 HIS 62 3.653 6.037 26.148 456 HB3 HIS 62 HB3 HIS 62 2.306 5.727 25.063 457 HD1 HIS 62 HD1 HIS 62 5.345 4.202 26.424 458 HD2 HIS 62 HD2 HIS 62 2.848 3.606 23.152 459 HE1 HIS 62 HE1 HIS 62 5.853 1.884 25.600 460 H THR 63 H THR 63 5.449 8.061 25.770 461 HA THR 63 HA THR 63 7.857 7.718 24.215 462 HB THR 63 HB THR 63 7.557 8.967 26.954 463 HG1 THR 63 HG1 THR 63 7.161 10.040 24.342 464 HG21 THR 63 HG21 THR 63 9.534 10.261 26.288 465 HG22 THR 63 HG22 THR 63 9.601 9.376 24.764 466 HG23 THR 63 HG23 THR 63 9.870 8.530 26.288 467 H PHE 64 H PHE 64 9.750 6.683 24.951 468 HA PHE 64 HA PHE 64 9.574 4.927 27.278 469 HB2 PHE 64 HB2 PHE 64 8.882 3.773 25.034 470 HB3 PHE 64 HB3 PHE 64 10.599 3.840 24.665 471 HD1 PHE 64 HD1 PHE 64 11.773 1.931 25.073 472 HD2 PHE 64 HD2 PHE 64 8.427 2.849 27.535 473 HE1 PHE 64 HE1 PHE 64 12.096 -0.181 26.294 474 HE2 PHE 64 HE2 PHE 64 8.748 0.744 28.766 475 HZ PHE 64 HZ PHE 64 10.583 -0.777 28.145 476 H ILE 65 H ILE 65 11.712 4.277 28.014 477 HA ILE 65 HA ILE 65 13.581 6.430 27.561 478 HB ILE 65 HB ILE 65 13.696 4.066 29.435 479 HG12 ILE 65 HG12 ILE 65 13.141 6.992 29.968 480 HG13 ILE 65 HG13 ILE 65 11.914 5.731 29.899 481 HG21 ILE 65 HG21 ILE 65 15.947 4.786 28.887 482 HG22 ILE 65 HG22 ILE 65 15.545 5.256 30.540 483 HG23 ILE 65 HG23 ILE 65 15.524 6.460 29.252 484 HD11 ILE 65 HD11 ILE 65 12.461 6.281 32.187 485 HD12 ILE 65 HD12 ILE 65 14.162 5.919 31.891 486 HD13 ILE 65 HD13 ILE 65 12.960 4.629 31.818 487 H ASP 66 H ASP 66 13.573 2.916 27.166 488 HA ASP 66 HA ASP 66 16.274 2.632 26.509 489 HB2 ASP 66 HB2 ASP 66 13.934 0.887 25.731 490 HB3 ASP 66 HB3 ASP 66 15.629 0.428 25.595 491 H ARG 67 H ARG 67 13.459 3.063 24.397 492 HA ARG 67 HA ARG 67 15.177 3.111 22.046 493 HB2 ARG 67 HB2 ARG 67 12.332 2.731 22.548 494 HB3 ARG 67 HB3 ARG 67 12.621 3.876 21.250 495 HG2 ARG 67 HG2 ARG 67 13.876 1.147 21.336 496 HG3 ARG 67 HG3 ARG 67 12.324 1.479 20.563 497 HD2 ARG 67 HD2 ARG 67 13.424 3.136 19.111 498 HD3 ARG 67 HD3 ARG 67 14.971 2.752 19.867 499 HE ARG 67 HE ARG 67 14.437 0.378 19.008 500 HH11 ARG 67 HH11 ARG 67 13.606 3.358 17.333 501 HH12 ARG 67 HH12 ARG 67 13.660 2.627 15.762 502 HH21 ARG 67 HH21 ARG 67 14.509 -0.561 16.942 503 HH22 ARG 67 HH22 ARG 67 14.180 0.407 15.529 504 HA PRO 68 HA PRO 68 15.454 7.567 22.718 505 HB2 PRO 68 HB2 PRO 68 17.516 8.006 21.065 506 HB3 PRO 68 HB3 PRO 68 17.757 7.211 22.630 507 HG2 PRO 68 HG2 PRO 68 17.494 5.991 19.899 508 HG3 PRO 68 HG3 PRO 68 18.684 5.631 21.170 509 HD2 PRO 68 HD2 PRO 68 16.473 4.107 20.752 510 HD3 PRO 68 HD3 PRO 68 17.204 4.315 22.357 511 H ASN 69 H ASN 69 14.630 5.746 20.012 512 HA ASN 69 HA ASN 69 13.677 8.069 18.556 513 HB2 ASN 69 HB2 ASN 69 16.057 7.584 17.842 514 HB3 ASN 69 HB3 ASN 69 15.481 6.038 17.230 515 HD21 ASN 69 HD21 ASN 69 15.536 9.445 16.816 516 HD22 ASN 69 HD22 ASN 69 14.839 9.484 15.223 517 H TYR 70 H TYR 70 11.700 6.910 19.385 518 HA TYR 70 HA TYR 70 10.659 5.457 17.118 519 HB2 TYR 70 HB2 TYR 70 10.189 3.437 18.110 520 HB3 TYR 70 HB3 TYR 70 11.633 3.841 19.032 521 HD1 TYR 70 HD1 TYR 70 8.592 2.435 19.394 522 HD2 TYR 70 HD2 TYR 70 10.876 5.596 21.085 523 HE1 TYR 70 HE1 TYR 70 7.254 2.297 21.447 524 HE2 TYR 70 HE2 TYR 70 9.551 5.478 23.128 525 HH TYR 70 HH TYR 70 7.218 4.695 23.758 526 H GLN 71 H GLN 71 8.300 5.394 17.170 527 HA GLN 71 HA GLN 71 6.343 6.566 17.298 528 HB2 GLN 71 HB2 GLN 71 6.920 5.953 20.192 529 HB3 GLN 71 HB3 GLN 71 5.376 6.577 19.625 530 HG2 GLN 71 HG2 GLN 71 5.129 4.613 18.187 531 HG3 GLN 71 HG3 GLN 71 6.655 3.984 18.804 532 HE21 GLN 71 HE21 GLN 71 5.694 2.155 19.626 533 HE22 GLN 71 HE22 GLN 71 4.694 2.174 21.036 534 H PHE 72 H PHE 72 6.704 7.876 20.405 535 HA PHE 72 HA PHE 72 7.493 10.491 19.338 536 HB2 PHE 72 HB2 PHE 72 5.212 10.022 21.276 537 HB3 PHE 72 HB3 PHE 72 5.782 11.588 20.709 538 HD1 PHE 72 HD1 PHE 72 5.901 11.670 17.993 539 HD2 PHE 72 HD2 PHE 72 3.277 9.269 20.329 540 HE1 PHE 72 HE1 PHE 72 4.328 11.560 16.105 541 HE2 PHE 72 HE2 PHE 72 1.701 9.151 18.442 542 HZ PHE 72 HZ PHE 72 2.225 10.297 16.329 543 H THR 73 H THR 73 9.530 10.254 20.228 544 HA THR 73 HA THR 73 9.604 10.326 23.168 545 HB THR 73 HB THR 73 10.650 8.298 22.541 546 HG1 THR 73 HG1 THR 73 12.315 8.670 23.781 547 HG21 THR 73 HG21 THR 73 10.981 8.823 20.150 548 HG22 THR 73 HG22 THR 73 12.386 8.060 20.893 549 HG23 THR 73 HG23 THR 73 12.385 9.796 20.590 550 H ASN 74 H ASN 74 11.448 11.302 20.290 551 HA ASN 74 HA ASN 74 12.567 13.585 21.689 552 HB2 ASN 74 HB2 ASN 74 13.894 12.219 20.053 553 HB3 ASN 74 HB3 ASN 74 12.842 12.810 18.772 554 HD21 ASN 74 HD21 ASN 74 14.472 13.825 17.662 555 HD22 ASN 74 HD22 ASN 74 15.254 15.262 18.234 556 H LEU 75 H LEU 75 9.629 13.216 20.979 557 HA LEU 75 HA LEU 75 8.969 15.137 18.984 558 HB2 LEU 75 HB2 LEU 75 7.516 13.226 19.727 559 HB3 LEU 75 HB3 LEU 75 7.206 14.114 21.208 560 HG LEU 75 HG LEU 75 6.195 15.938 19.885 561 HD11 LEU 75 HD11 LEU 75 5.668 15.578 17.534 562 HD12 LEU 75 HD12 LEU 75 6.570 14.061 17.555 563 HD13 LEU 75 HD13 LEU 75 7.412 15.592 17.798 564 HD21 LEU 75 HD21 LEU 75 4.156 14.743 19.284 565 HD22 LEU 75 HD22 LEU 75 4.797 14.194 20.833 566 HD23 LEU 75 HD23 LEU 75 5.022 13.210 19.386 567 H LYS 76 H LYS 76 10.133 15.470 22.089 568 HA LYS 76 HA LYS 76 8.784 17.898 22.771 569 HB2 LYS 76 HB2 LYS 76 10.773 18.080 24.435 570 HB3 LYS 76 HB3 LYS 76 9.556 16.841 24.669 571 HG2 LYS 76 HG2 LYS 76 11.643 15.845 25.082 572 HG3 LYS 76 HG3 LYS 76 11.106 15.231 23.533 573 HD2 LYS 76 HD2 LYS 76 12.613 16.748 22.382 574 HD3 LYS 76 HD3 LYS 76 13.088 17.474 23.922 575 HE2 LYS 76 HE2 LYS 76 13.982 15.309 24.656 576 HE3 LYS 76 HE3 LYS 76 13.516 14.599 23.113 577 HZ1 LYS 76 HZ1 LYS 76 15.488 16.790 23.481 578 HZ2 LYS 76 HZ2 LYS 76 15.050 16.093 21.998 579 HZ3 LYS 76 HZ3 LYS 76 15.862 15.166 23.165 580 H ALA 77 H ALA 77 11.149 17.141 20.561 581 HA ALA 77 HA ALA 77 12.311 19.807 20.507 582 HB1 ALA 77 HB1 ALA 77 13.727 17.871 20.024 583 HB2 ALA 77 HB2 ALA 77 13.646 18.970 18.647 584 HB3 ALA 77 HB3 ALA 77 12.712 17.474 18.639 585 H ALA 78 H ALA 78 9.440 18.545 19.579 586 HA ALA 78 HA ALA 78 9.252 19.734 16.940 587 HB1 ALA 78 HB1 ALA 78 7.176 18.384 18.663 588 HB2 ALA 78 HB2 ALA 78 8.096 17.645 17.350 589 HB3 ALA 78 HB3 ALA 78 6.926 18.920 16.999 590 H LYS 79 H LYS 79 7.502 21.205 16.414 591 HA LYS 79 HA LYS 79 6.390 22.898 18.417 592 HB2 LYS 79 HB2 LYS 79 7.692 24.938 17.437 593 HB3 LYS 79 HB3 LYS 79 8.421 23.949 18.691 594 HG2 LYS 79 HG2 LYS 79 9.557 22.671 16.814 595 HG3 LYS 79 HG3 LYS 79 9.042 23.989 15.757 596 HD2 LYS 79 HD2 LYS 79 10.266 25.589 17.051 597 HD3 LYS 79 HD3 LYS 79 10.625 24.382 18.287 598 HE2 LYS 79 HE2 LYS 79 11.575 24.265 15.430 599 HE3 LYS 79 HE3 LYS 79 12.536 24.846 16.789 600 HZ1 LYS 79 HZ1 LYS 79 12.239 22.625 17.813 601 HZ2 LYS 79 HZ2 LYS 79 13.101 22.589 16.360 602 HZ3 LYS 79 HZ3 LYS 79 11.481 22.095 16.389 603 H LYS 80 H LYS 80 6.010 25.190 16.927 604 HA LYS 80 HA LYS 80 3.642 24.544 15.714 605 HB2 LYS 80 HB2 LYS 80 3.650 26.845 14.818 606 HB3 LYS 80 HB3 LYS 80 4.085 26.756 16.519 607 HG2 LYS 80 HG2 LYS 80 6.485 26.879 15.816 608 HG3 LYS 80 HG3 LYS 80 5.920 27.201 14.177 609 HD2 LYS 80 HD2 LYS 80 5.331 28.863 16.625 610 HD3 LYS 80 HD3 LYS 80 6.460 29.274 15.333 611 HE2 LYS 80 HE2 LYS 80 4.634 29.367 13.736 612 HE3 LYS 80 HE3 LYS 80 3.491 28.871 14.984 613 HZ1 LYS 80 HZ1 LYS 80 3.988 30.902 16.197 614 HZ2 LYS 80 HZ2 LYS 80 3.432 31.255 14.635 615 HZ3 LYS 80 HZ3 LYS 80 5.082 31.377 14.993 616 H GLY 81 H GLY 81 6.788 24.831 14.109 617 HA2 GLY 81 HA2 GLY 81 5.424 23.964 11.634 618 HA3 GLY 81 HA3 GLY 81 6.668 25.211 11.606 619 H SER 82 H SER 82 6.302 21.970 13.032 620 HA SER 82 HA SER 82 9.080 21.395 12.557 621 HB2 SER 82 HB2 SER 82 6.798 19.776 13.691 622 HB3 SER 82 HB3 SER 82 8.447 19.163 13.543 623 HG SER 82 HG SER 82 9.146 20.845 14.901 624 H MET 83 H MET 83 6.395 21.311 10.630 625 HA MET 83 HA MET 83 5.699 20.224 8.770 626 HB2 MET 83 HB2 MET 83 8.686 20.048 8.488 627 HB3 MET 83 HB3 MET 83 7.605 19.413 7.256 628 HG2 MET 83 HG2 MET 83 7.041 22.163 8.112 629 HG3 MET 83 HG3 MET 83 8.585 21.931 7.300 630 HE1 MET 83 HE1 MET 83 5.241 19.927 6.724 631 HE2 MET 83 HE2 MET 83 4.527 20.809 5.370 632 HE3 MET 83 HE3 MET 83 4.647 21.572 6.957 633 H VAL 84 H VAL 84 4.565 18.578 9.674 634 HA VAL 84 HA VAL 84 5.909 16.062 10.265 635 HB VAL 84 HB VAL 84 2.980 16.782 10.470 636 HG11 VAL 84 HG11 VAL 84 3.353 14.390 10.271 637 HG12 VAL 84 HG12 VAL 84 2.817 14.806 11.899 638 HG13 VAL 84 HG13 VAL 84 4.518 14.448 11.594 639 HG21 VAL 84 HG21 VAL 84 4.311 18.168 11.954 640 HG22 VAL 84 HG22 VAL 84 5.109 16.737 12.604 641 HG23 VAL 84 HG23 VAL 84 3.386 16.986 12.880 642 H TYR 85 H TYR 85 6.174 14.596 8.714 643 HA TYR 85 HA TYR 85 4.471 14.777 6.329 644 HB2 TYR 85 HB2 TYR 85 7.159 13.438 6.692 645 HB3 TYR 85 HB3 TYR 85 6.246 13.502 5.189 646 HD1 TYR 85 HD1 TYR 85 8.366 15.357 7.498 647 HD2 TYR 85 HD2 TYR 85 6.048 15.602 3.941 648 HE1 TYR 85 HE1 TYR 85 9.463 17.478 6.936 649 HE2 TYR 85 HE2 TYR 85 7.145 17.727 3.366 650 HH TYR 85 HH TYR 85 9.904 18.894 5.118 651 H PHE 86 H PHE 86 2.925 13.343 6.134 652 HA PHE 86 HA PHE 86 3.192 10.754 7.483 653 HB2 PHE 86 HB2 PHE 86 1.119 12.092 7.880 654 HB3 PHE 86 HB3 PHE 86 0.743 11.954 6.166 655 HD1 PHE 86 HD1 PHE 86 1.892 9.543 8.776 656 HD2 PHE 86 HD2 PHE 86 -1.003 10.519 5.817 657 HE1 PHE 86 HE1 PHE 86 0.734 7.420 9.217 658 HE2 PHE 86 HE2 PHE 86 -2.163 8.394 6.249 659 HZ PHE 86 HZ PHE 86 -1.297 6.841 7.950 660 H LYS 87 H LYS 87 4.255 9.384 6.263 661 HA LYS 87 HA LYS 87 4.108 9.456 3.364 662 HB2 LYS 87 HB2 LYS 87 6.118 8.892 5.078 663 HB3 LYS 87 HB3 LYS 87 5.519 7.266 4.793 664 HG2 LYS 87 HG2 LYS 87 7.301 7.684 3.275 665 HG3 LYS 87 HG3 LYS 87 5.794 7.666 2.352 666 HD2 LYS 87 HD2 LYS 87 5.884 9.893 1.898 667 HD3 LYS 87 HD3 LYS 87 6.708 10.279 3.409 668 HE2 LYS 87 HE2 LYS 87 7.952 8.963 0.997 669 HE3 LYS 87 HE3 LYS 87 8.161 10.647 1.480 670 HZ1 LYS 87 HZ1 LYS 87 10.036 9.439 2.249 671 HZ2 LYS 87 HZ2 LYS 87 9.071 8.229 2.937 672 HZ3 LYS 87 HZ3 LYS 87 9.085 9.783 3.618 673 H VAL 88 H VAL 88 2.131 8.634 2.670 674 HA VAL 88 HA VAL 88 1.419 5.993 3.766 675 HB VAL 88 HB VAL 88 -0.088 7.546 4.756 676 HG11 VAL 88 HG11 VAL 88 -1.552 9.017 3.437 677 HG12 VAL 88 HG12 VAL 88 -0.697 8.532 1.973 678 HG13 VAL 88 HG13 VAL 88 0.153 9.419 3.237 679 HG21 VAL 88 HG21 VAL 88 -1.433 6.083 2.492 680 HG22 VAL 88 HG22 VAL 88 -2.250 6.739 3.910 681 HG23 VAL 88 HG23 VAL 88 -1.070 5.443 4.095 682 H GLY 89 H GLY 89 1.357 4.474 2.330 683 HA2 GLY 89 HA2 GLY 89 0.903 3.316 0.390 684 HA3 GLY 89 HA3 GLY 89 0.032 4.727 -0.191 685 H ASN 90 H ASN 90 1.790 6.640 -0.420 686 HA ASN 90 HA ASN 90 4.299 6.024 -1.502 687 HB2 ASN 90 HB2 ASN 90 3.925 6.345 -3.887 688 HB3 ASN 90 HB3 ASN 90 2.960 4.988 -3.317 689 HD21 ASN 90 HD21 ASN 90 0.732 5.143 -3.309 690 HD22 ASN 90 HD22 ASN 90 -0.112 6.430 -4.102 691 H GLU 91 H GLU 91 1.594 8.148 -1.186 692 HA GLU 91 HA GLU 91 3.097 10.479 -1.991 693 HB2 GLU 91 HB2 GLU 91 1.000 11.708 -1.395 694 HB3 GLU 91 HB3 GLU 91 0.819 10.500 -2.656 695 HG2 GLU 91 HG2 GLU 91 -0.185 8.962 -1.080 696 HG3 GLU 91 HG3 GLU 91 0.075 10.110 0.234 697 H THR 92 H THR 92 3.003 12.434 -0.570 698 HA THR 92 HA THR 92 3.576 11.665 2.217 699 HB THR 92 HB THR 92 5.010 13.853 0.712 700 HG1 THR 92 HG1 THR 92 5.278 11.580 -0.118 701 HG21 THR 92 HG21 THR 92 5.075 13.964 3.166 702 HG22 THR 92 HG22 THR 92 6.665 13.605 2.493 703 HG23 THR 92 HG23 THR 92 5.703 12.317 3.220 704 H ARG 93 H ARG 93 1.997 12.528 3.432 705 HA ARG 93 HA ARG 93 0.713 15.020 2.637 706 HB2 ARG 93 HB2 ARG 93 0.209 13.435 5.158 707 HB3 ARG 93 HB3 ARG 93 -0.859 14.596 4.386 708 HG2 ARG 93 HG2 ARG 93 -0.088 11.912 3.260 709 HG3 ARG 93 HG3 ARG 93 -1.610 12.295 4.064 710 HD2 ARG 93 HD2 ARG 93 -0.622 13.665 1.566 711 HD3 ARG 93 HD3 ARG 93 -1.720 12.287 1.565 712 HE ARG 93 HE ARG 93 -2.467 14.743 3.015 713 HH11 ARG 93 HH11 ARG 93 -3.037 12.420 0.444 714 HH12 ARG 93 HH12 ARG 93 -4.591 13.085 0.030 715 HH21 ARG 93 HH21 ARG 93 -4.475 15.636 2.449 716 HH22 ARG 93 HH22 ARG 93 -5.413 14.913 1.166 717 H LYS 94 H LYS 94 1.117 16.996 3.581 718 HA LYS 94 HA LYS 94 3.216 16.999 5.645 719 HB2 LYS 94 HB2 LYS 94 2.527 19.404 3.961 720 HB3 LYS 94 HB3 LYS 94 3.979 19.099 4.887 721 HG2 LYS 94 HG2 LYS 94 4.728 18.789 2.749 722 HG3 LYS 94 HG3 LYS 94 4.333 17.138 3.226 723 HD2 LYS 94 HD2 LYS 94 3.330 17.216 1.164 724 HD3 LYS 94 HD3 LYS 94 1.992 17.747 2.179 725 HE2 LYS 94 HE2 LYS 94 3.873 19.551 0.654 726 HE3 LYS 94 HE3 LYS 94 2.237 19.128 0.162 727 HZ1 LYS 94 HZ1 LYS 94 1.457 20.183 2.257 728 HZ2 LYS 94 HZ2 LYS 94 2.183 21.263 1.179 729 HZ3 LYS 94 HZ3 LYS 94 3.036 20.725 2.535 730 H TYR 95 H TYR 95 2.668 17.605 7.611 731 HA TYR 95 HA TYR 95 0.237 19.237 7.951 732 HB2 TYR 95 HB2 TYR 95 1.356 17.137 9.821 733 HB3 TYR 95 HB3 TYR 95 -0.088 18.098 10.106 734 HD1 TYR 95 HD1 TYR 95 -2.122 17.696 8.777 735 HD2 TYR 95 HD2 TYR 95 1.323 15.241 8.356 736 HE1 TYR 95 HE1 TYR 95 -3.478 16.001 7.628 737 HE2 TYR 95 HE2 TYR 95 -0.024 13.541 7.205 738 HH TYR 95 HH TYR 95 -3.099 14.150 6.001 739 H LYS 96 H LYS 96 0.271 20.891 9.453 740 HA LYS 96 HA LYS 96 2.948 21.621 10.478 741 HB2 LYS 96 HB2 LYS 96 1.677 23.075 8.693 742 HB3 LYS 96 HB3 LYS 96 0.724 23.601 10.071 743 HG2 LYS 96 HG2 LYS 96 2.409 25.211 9.760 744 HG3 LYS 96 HG3 LYS 96 2.889 24.263 11.172 745 HD2 LYS 96 HD2 LYS 96 4.860 24.460 9.926 746 HD3 LYS 96 HD3 LYS 96 4.249 22.859 9.504 747 HE2 LYS 96 HE2 LYS 96 4.968 23.935 7.495 748 HE3 LYS 96 HE3 LYS 96 3.210 23.847 7.483 749 HZ1 LYS 96 HZ1 LYS 96 4.842 26.241 8.134 750 HZ2 LYS 96 HZ2 LYS 96 3.148 26.173 8.217 751 HZ3 LYS 96 HZ3 LYS 96 3.933 25.991 6.725 752 H MET 97 H MET 97 3.134 21.840 12.682 753 HA MET 97 HA MET 97 0.826 21.100 14.252 754 HB2 MET 97 HB2 MET 97 3.711 21.620 14.944 755 HB3 MET 97 HB3 MET 97 2.495 21.385 16.194 756 HG2 MET 97 HG2 MET 97 1.944 19.199 15.184 757 HG3 MET 97 HG3 MET 97 3.263 19.438 14.036 758 HE1 MET 97 HE1 MET 97 4.283 17.040 14.841 759 HE2 MET 97 HE2 MET 97 2.886 16.913 15.920 760 HE3 MET 97 HE3 MET 97 4.522 16.650 16.544 761 H THR 98 H THR 98 -0.384 22.980 13.580 762 HA THR 98 HA THR 98 0.498 25.575 14.502 763 HB THR 98 HB THR 98 -0.477 25.436 12.298 764 HG1 THR 98 HG1 THR 98 -1.668 26.945 14.292 765 HG21 THR 98 HG21 THR 98 -1.899 23.501 12.574 766 HG22 THR 98 HG22 THR 98 -2.857 24.858 11.981 767 HG23 THR 98 HG23 THR 98 -2.948 24.389 13.680 768 H SER 99 H SER 99 -1.238 23.048 15.877 769 HA SER 99 HA SER 99 -2.182 24.874 17.958 770 HB2 SER 99 HB2 SER 99 -3.872 22.673 16.748 771 HB3 SER 99 HB3 SER 99 -4.315 23.639 18.154 772 HG SER 99 HG SER 99 -3.591 25.229 16.101 773 H ILE 100 H ILE 100 -0.879 24.293 19.575 774 HA ILE 100 HA ILE 100 -0.587 21.419 20.172 775 HB ILE 100 HB ILE 100 1.472 23.610 20.515 776 HG12 ILE 100 HG12 ILE 100 1.505 21.142 18.762 777 HG13 ILE 100 HG13 ILE 100 1.181 22.776 18.197 778 HG21 ILE 100 HG21 ILE 100 2.970 21.836 21.314 779 HG22 ILE 100 HG22 ILE 100 1.630 20.690 21.258 780 HG23 ILE 100 HG23 ILE 100 1.578 22.054 22.375 781 HD11 ILE 100 HD11 ILE 100 3.425 23.455 18.867 782 HD12 ILE 100 HD12 ILE 100 3.466 22.112 17.723 783 HD13 ILE 100 HD13 ILE 100 3.746 21.818 19.441 784 H ARG 101 H ARG 101 -1.232 20.813 22.148 785 HA ARG 101 HA ARG 101 -0.733 22.499 24.429 786 HB2 ARG 101 HB2 ARG 101 -2.977 22.704 25.240 787 HB3 ARG 101 HB3 ARG 101 -2.957 23.331 23.601 788 HG2 ARG 101 HG2 ARG 101 -4.022 21.396 22.753 789 HG3 ARG 101 HG3 ARG 101 -3.823 20.542 24.285 790 HD2 ARG 101 HD2 ARG 101 -6.095 21.304 24.082 791 HD3 ARG 101 HD3 ARG 101 -5.292 22.202 25.364 792 HE ARG 101 HE ARG 101 -4.970 23.899 23.379 793 HH11 ARG 101 HH11 ARG 101 -7.799 22.047 24.265 794 HH12 ARG 101 HH12 ARG 101 -8.923 23.174 23.573 795 HH21 ARG 101 HH21 ARG 101 -6.425 25.393 22.478 796 HH22 ARG 101 HH22 ARG 101 -8.138 25.075 22.525 797 H ASP 102 H ASP 102 -1.582 21.328 26.470 798 HA ASP 102 HA ASP 102 -1.720 18.430 26.037 799 HB2 ASP 102 HB2 ASP 102 -0.327 18.157 28.153 800 HB3 ASP 102 HB3 ASP 102 0.532 18.659 26.703 801 H VAL 103 H VAL 103 -3.341 17.498 27.065 802 HA VAL 103 HA VAL 103 -4.973 19.276 28.724 803 HB VAL 103 HB VAL 103 -6.851 17.766 28.186 804 HG11 VAL 103 HG11 VAL 103 -5.339 18.796 25.787 805 HG12 VAL 103 HG12 VAL 103 -6.440 19.726 26.803 806 HG13 VAL 103 HG13 VAL 103 -7.056 18.394 25.825 807 HG21 VAL 103 HG21 VAL 103 -4.837 16.359 26.433 808 HG22 VAL 103 HG22 VAL 103 -6.575 16.057 26.447 809 HG23 VAL 103 HG23 VAL 103 -5.605 15.695 27.876 810 H LYS 104 H LYS 104 -6.619 17.625 29.960 811 HA LYS 104 HA LYS 104 -4.957 15.948 31.698 812 HB2 LYS 104 HB2 LYS 104 -6.618 16.667 33.544 813 HB3 LYS 104 HB3 LYS 104 -5.372 17.814 33.075 814 HG2 LYS 104 HG2 LYS 104 -8.115 17.920 31.867 815 HG3 LYS 104 HG3 LYS 104 -7.765 18.668 33.426 816 HD2 LYS 104 HD2 LYS 104 -6.063 20.062 32.415 817 HD3 LYS 104 HD3 LYS 104 -6.275 19.249 30.865 818 HE2 LYS 104 HE2 LYS 104 -7.415 21.359 30.785 819 HE3 LYS 104 HE3 LYS 104 -8.619 20.075 30.818 820 HZ1 LYS 104 HZ1 LYS 104 -9.224 21.887 32.288 821 HZ2 LYS 104 HZ2 LYS 104 -7.772 21.715 33.145 822 HZ3 LYS 104 HZ3 LYS 104 -8.928 20.479 33.188 823 HA PRO 105 HA PRO 105 -8.000 12.774 30.953 824 HB2 PRO 105 HB2 PRO 105 -7.837 12.046 33.809 825 HB3 PRO 105 HB3 PRO 105 -7.445 11.080 32.384 826 HG2 PRO 105 HG2 PRO 105 -5.536 12.036 34.010 827 HG3 PRO 105 HG3 PRO 105 -5.292 11.895 32.258 828 HD2 PRO 105 HD2 PRO 105 -5.902 14.317 33.902 829 HD3 PRO 105 HD3 PRO 105 -4.813 14.144 32.510 830 H THR 106 H THR 106 -8.297 15.208 33.275 831 HA THR 106 HA THR 106 -10.967 14.693 34.147 832 HB THR 106 HB THR 106 -10.068 17.442 34.399 833 HG1 THR 106 HG1 THR 106 -8.351 15.455 35.537 834 HG21 THR 106 HG21 THR 106 -11.710 16.370 35.865 835 HG22 THR 106 HG22 THR 106 -10.319 16.955 36.778 836 HG23 THR 106 HG23 THR 106 -10.477 15.237 36.415 837 H ASP 107 H ASP 107 -9.619 15.946 31.285 838 HA ASP 107 HA ASP 107 -12.014 17.575 30.739 839 HB2 ASP 107 HB2 ASP 107 -9.761 18.712 30.604 840 HB3 ASP 107 HB3 ASP 107 -9.396 17.670 29.233 841 H VAL 108 H VAL 108 -13.448 16.724 29.446 842 HA VAL 108 HA VAL 108 -12.547 14.957 27.274 843 HB VAL 108 HB VAL 108 -14.779 13.805 27.460 844 HG11 VAL 108 HG11 VAL 108 -12.720 12.793 28.319 845 HG12 VAL 108 HG12 VAL 108 -14.116 12.359 29.304 846 HG13 VAL 108 HG13 VAL 108 -12.982 13.582 29.873 847 HG21 VAL 108 HG21 VAL 108 -14.887 15.242 30.112 848 HG22 VAL 108 HG22 VAL 108 -15.986 13.965 29.588 849 HG23 VAL 108 HG23 VAL 108 -15.961 15.512 28.740 850 H GLU 109 H GLU 109 -12.881 17.796 27.241 851 HA GLU 109 HA GLU 109 -15.424 18.210 25.824 852 HB2 GLU 109 HB2 GLU 109 -13.462 20.316 26.732 853 HB3 GLU 109 HB3 GLU 109 -15.137 20.546 26.252 854 HG2 GLU 109 HG2 GLU 109 -14.242 19.035 28.695 855 HG3 GLU 109 HG3 GLU 109 -14.763 20.717 28.683 856 H VAL 110 H VAL 110 -12.093 17.786 25.232 857 HA VAL 110 HA VAL 110 -11.879 19.742 23.140 858 HB VAL 110 HB VAL 110 -10.030 19.367 24.688 859 HG11 VAL 110 HG11 VAL 110 -9.891 16.593 23.514 860 HG12 VAL 110 HG12 VAL 110 -10.349 17.010 25.166 861 HG13 VAL 110 HG13 VAL 110 -8.702 17.306 24.605 862 HG21 VAL 110 HG21 VAL 110 -9.396 18.526 21.882 863 HG22 VAL 110 HG22 VAL 110 -8.231 19.127 23.060 864 HG23 VAL 110 HG23 VAL 110 -9.522 20.179 22.478 865 H LEU 111 H LEU 111 -12.866 16.514 23.366 866 HA LEU 111 HA LEU 111 -11.989 15.866 20.656 867 HB2 LEU 111 HB2 LEU 111 -12.906 13.538 21.331 868 HB3 LEU 111 HB3 LEU 111 -11.361 14.075 21.944 869 HG LEU 111 HG LEU 111 -12.887 12.861 23.558 870 HD11 LEU 111 HD11 LEU 111 -10.979 13.993 24.390 871 HD12 LEU 111 HD12 LEU 111 -12.339 14.326 25.460 872 HD13 LEU 111 HD13 LEU 111 -11.802 15.547 24.310 873 HD21 LEU 111 HD21 LEU 111 -14.357 15.478 23.548 874 HD22 LEU 111 HD22 LEU 111 -14.603 14.158 24.693 875 HD23 LEU 111 HD23 LEU 111 -14.982 13.928 22.986 876 H ASP 112 H ASP 112 -14.266 17.645 21.456 877 HA ASP 112 HA ASP 112 -16.635 16.275 20.560 878 HB2 ASP 112 HB2 ASP 112 -16.527 18.251 22.203 879 HB3 ASP 112 HB3 ASP 112 -16.304 19.265 20.782 880 H GLU 113 H GLU 113 -17.618 18.524 18.947 881 HA GLU 113 HA GLU 113 -16.942 17.486 16.411 882 HB2 GLU 113 HB2 GLU 113 -18.308 20.091 17.089 883 HB3 GLU 113 HB3 GLU 113 -18.345 19.279 15.532 884 HG2 GLU 113 HG2 GLU 113 -19.576 17.438 16.473 885 HG3 GLU 113 HG3 GLU 113 -19.447 18.141 18.087 886 H GLN 114 H GLN 114 -14.699 17.689 16.062 887 HA GLN 114 HA GLN 114 -13.660 20.403 15.852 888 HB2 GLN 114 HB2 GLN 114 -12.262 17.726 15.721 889 HB3 GLN 114 HB3 GLN 114 -11.456 19.287 15.637 890 HG2 GLN 114 HG2 GLN 114 -13.106 18.352 17.966 891 HG3 GLN 114 HG3 GLN 114 -11.356 18.207 17.856 892 HE21 GLN 114 HE21 GLN 114 -12.990 19.671 19.767 893 HE22 GLN 114 HE22 GLN 114 -12.493 21.322 19.669 894 H LYS 115 H LYS 115 -15.529 19.308 13.970 895 HA LYS 115 HA LYS 115 -14.007 19.018 11.521 896 HB2 LYS 115 HB2 LYS 115 -16.042 18.565 10.406 897 HB3 LYS 115 HB3 LYS 115 -16.172 17.759 11.959 898 HG2 LYS 115 HG2 LYS 115 -17.371 20.453 11.375 899 HG3 LYS 115 HG3 LYS 115 -18.234 18.930 11.180 900 HD2 LYS 115 HD2 LYS 115 -17.875 18.445 13.566 901 HD3 LYS 115 HD3 LYS 115 -17.060 20.000 13.740 902 HE2 LYS 115 HE2 LYS 115 -19.394 20.066 14.483 903 HE3 LYS 115 HE3 LYS 115 -19.064 21.178 13.155 904 HZ1 LYS 115 HZ1 LYS 115 -20.095 19.682 11.621 905 HZ2 LYS 115 HZ2 LYS 115 -21.168 19.917 12.916 906 HZ3 LYS 115 HZ3 LYS 115 -20.267 18.483 12.810 907 H GLY 116 H GLY 116 -14.238 20.471 9.735 908 HA2 GLY 116 HA2 GLY 116 -15.190 22.666 9.003 909 HA3 GLY 116 HA3 GLY 116 -14.790 23.243 10.619 910 H LYS 117 H LYS 117 -12.336 21.513 10.496 911 HA LYS 117 HA LYS 117 -10.606 23.437 9.163 912 HB2 LYS 117 HB2 LYS 117 -9.984 21.038 10.883 913 HB3 LYS 117 HB3 LYS 117 -8.777 22.114 10.196 914 HG2 LYS 117 HG2 LYS 117 -10.269 23.921 11.465 915 HG3 LYS 117 HG3 LYS 117 -10.591 22.515 12.485 916 HD2 LYS 117 HD2 LYS 117 -8.137 22.143 12.631 917 HD3 LYS 117 HD3 LYS 117 -7.905 23.649 11.744 918 HE2 LYS 117 HE2 LYS 117 -7.632 24.104 14.076 919 HE3 LYS 117 HE3 LYS 117 -9.150 24.827 13.545 920 HZ1 LYS 117 HZ1 LYS 117 -9.286 23.644 15.702 921 HZ2 LYS 117 HZ2 LYS 117 -8.961 22.190 14.892 922 HZ3 LYS 117 HZ3 LYS 117 -10.375 23.053 14.542 923 H ASP 118 H ASP 118 -8.514 22.067 8.309 924 HA ASP 118 HA ASP 118 -9.501 20.268 6.236 925 HB2 ASP 118 HB2 ASP 118 -7.666 22.152 6.005 926 HB3 ASP 118 HB3 ASP 118 -6.599 20.915 6.664 927 H LYS 119 H LYS 119 -7.253 18.548 6.054 928 HA LYS 119 HA LYS 119 -7.930 16.618 8.027 929 HB2 LYS 119 HB2 LYS 119 -5.806 16.809 5.918 930 HB3 LYS 119 HB3 LYS 119 -5.692 15.552 7.140 931 HG2 LYS 119 HG2 LYS 119 -6.745 14.774 5.068 932 HG3 LYS 119 HG3 LYS 119 -7.812 14.636 6.464 933 HD2 LYS 119 HD2 LYS 119 -9.086 16.518 5.784 934 HD3 LYS 119 HD3 LYS 119 -7.894 16.962 4.557 935 HE2 LYS 119 HE2 LYS 119 -9.582 14.461 4.557 936 HE3 LYS 119 HE3 LYS 119 -9.866 15.892 3.566 937 HZ1 LYS 119 HZ1 LYS 119 -7.753 15.535 2.476 938 HZ2 LYS 119 HZ2 LYS 119 -8.713 14.138 2.343 939 HZ3 LYS 119 HZ3 LYS 119 -7.439 14.187 3.453 940 H GLN 120 H GLN 120 -7.508 17.004 10.112 941 HA GLN 120 HA GLN 120 -4.928 18.212 10.782 942 HB2 GLN 120 HB2 GLN 120 -5.862 18.723 12.973 943 HB3 GLN 120 HB3 GLN 120 -6.885 19.362 11.697 944 HG2 GLN 120 HG2 GLN 120 -8.446 17.523 12.010 945 HG3 GLN 120 HG3 GLN 120 -7.404 16.836 13.255 946 HE21 GLN 120 HE21 GLN 120 -8.877 16.975 14.895 947 HE22 GLN 120 HE22 GLN 120 -9.425 18.473 15.557 948 H LEU 121 H LEU 121 -3.340 17.004 11.458 949 HA LEU 121 HA LEU 121 -3.832 14.225 12.133 950 HB2 LEU 121 HB2 LEU 121 -1.952 14.993 10.624 951 HB3 LEU 121 HB3 LEU 121 -1.198 15.697 12.041 952 HG LEU 121 HG LEU 121 -1.060 13.461 13.069 953 HD11 LEU 121 HD11 LEU 121 -2.122 12.505 10.414 954 HD12 LEU 121 HD12 LEU 121 -2.966 12.427 11.960 955 HD13 LEU 121 HD13 LEU 121 -1.501 11.480 11.708 956 HD21 LEU 121 HD21 LEU 121 0.158 13.700 10.321 957 HD22 LEU 121 HD22 LEU 121 0.680 12.571 11.572 958 HD23 LEU 121 HD23 LEU 121 0.839 14.308 11.830 959 H THR 122 H THR 122 -4.358 13.755 14.126 960 HA THR 122 HA THR 122 -3.619 15.581 16.283 961 HB THR 122 HB THR 122 -5.515 13.228 16.334 962 HG1 THR 122 HG1 THR 122 -5.852 15.274 14.900 963 HG21 THR 122 HG21 THR 122 -6.448 14.338 18.310 964 HG22 THR 122 HG22 THR 122 -5.232 15.609 18.173 965 HG23 THR 122 HG23 THR 122 -4.742 13.956 18.545 966 H LEU 123 H LEU 123 -1.550 15.080 16.899 967 HA LEU 123 HA LEU 123 -0.797 12.303 17.294 968 HB2 LEU 123 HB2 LEU 123 0.797 14.768 18.008 969 HB3 LEU 123 HB3 LEU 123 1.394 13.127 17.901 970 HG LEU 123 HG LEU 123 0.741 15.048 15.700 971 HD11 LEU 123 HD11 LEU 123 3.035 13.164 16.202 972 HD12 LEU 123 HD12 LEU 123 3.017 14.897 16.530 973 HD13 LEU 123 HD13 LEU 123 2.902 14.313 14.871 974 HD21 LEU 123 HD21 LEU 123 -0.548 13.016 15.178 975 HD22 LEU 123 HD22 LEU 123 0.915 12.049 15.361 976 HD23 LEU 123 HD23 LEU 123 0.801 13.243 14.067 977 H ILE 124 H ILE 124 -1.575 11.331 19.033 978 HA ILE 124 HA ILE 124 -2.066 12.863 21.467 979 HB ILE 124 HB ILE 124 -2.646 9.937 20.989 980 HG12 ILE 124 HG12 ILE 124 -4.505 12.301 20.628 981 HG13 ILE 124 HG13 ILE 124 -3.772 11.394 19.309 982 HG21 ILE 124 HG21 ILE 124 -3.722 11.930 22.980 983 HG22 ILE 124 HG22 ILE 124 -2.612 10.605 23.326 984 HG23 ILE 124 HG23 ILE 124 -4.265 10.260 22.814 985 HD11 ILE 124 HD11 ILE 124 -5.672 10.280 21.358 986 HD12 ILE 124 HD12 ILE 124 -4.956 9.390 20.013 987 HD13 ILE 124 HD13 ILE 124 -6.076 10.716 19.698 988 H THR 125 H THR 125 -0.223 13.191 22.549 989 HA THR 125 HA THR 125 1.790 11.070 22.604 990 HB THR 125 HB THR 125 2.074 13.912 23.588 991 HG1 THR 125 HG1 THR 125 1.491 13.564 21.260 992 HG21 THR 125 HG21 THR 125 4.110 11.842 22.737 993 HG22 THR 125 HG22 THR 125 3.780 12.347 24.394 994 HG23 THR 125 HG23 THR 125 4.470 13.492 23.244 995 H CYS 126 H CYS 126 1.392 9.672 24.199 996 HA CYS 126 HA CYS 126 0.728 10.675 26.859 997 HB2 CYS 126 HB2 CYS 126 0.994 7.836 25.832 998 HB3 CYS 126 HB3 CYS 126 0.489 8.285 27.459 999 H ASP 127 H ASP 127 2.609 11.654 27.524 1000 HA ASP 127 HA ASP 127 4.976 9.910 27.743 1001 HB2 ASP 127 HB2 ASP 127 6.347 11.908 27.778 1002 HB3 ASP 127 HB3 ASP 127 5.296 11.960 26.368 1003 H ASP 128 H ASP 128 2.491 10.606 29.505 1004 HA ASP 128 HA ASP 128 3.674 11.702 31.873 1005 HB2 ASP 128 HB2 ASP 128 1.330 12.136 31.351 1006 HB3 ASP 128 HB3 ASP 128 0.979 10.414 31.421 1007 H TYR 129 H TYR 129 1.757 8.757 31.725 1008 HA TYR 129 HA TYR 129 1.929 6.730 32.695 1009 HB2 TYR 129 HB2 TYR 129 4.017 6.622 31.282 1010 HB3 TYR 129 HB3 TYR 129 4.925 7.148 32.692 1011 HD1 TYR 129 HD1 TYR 129 5.700 4.708 31.385 1012 HD2 TYR 129 HD2 TYR 129 2.693 5.290 34.335 1013 HE1 TYR 129 HE1 TYR 129 5.953 2.371 32.100 1014 HE2 TYR 129 HE2 TYR 129 2.940 2.962 35.062 1015 HH TYR 129 HH TYR 129 5.535 1.043 34.220 1016 H ASN 130 H ASN 130 0.907 7.469 34.577 1017 HA ASN 130 HA ASN 130 2.568 8.144 36.856 1018 HB2 ASN 130 HB2 ASN 130 0.277 9.120 36.530 1019 HB3 ASN 130 HB3 ASN 130 -0.394 7.514 36.793 1020 HD21 ASN 130 HD21 ASN 130 -0.710 10.029 38.297 1021 HD22 ASN 130 HD22 ASN 130 -0.242 9.651 39.922 1022 H GLU 131 H GLU 131 3.822 6.474 37.413 1023 HA GLU 131 HA GLU 131 3.127 3.763 37.074 1024 HB2 GLU 131 HB2 GLU 131 5.349 4.989 38.707 1025 HB3 GLU 131 HB3 GLU 131 5.248 3.302 38.219 1026 HG2 GLU 131 HG2 GLU 131 5.392 3.945 35.883 1027 HG3 GLU 131 HG3 GLU 131 5.428 5.646 36.337 1028 H LYS 132 H LYS 132 2.062 5.862 39.451 1029 HA LYS 132 HA LYS 132 1.985 4.088 41.667 1030 HB2 LYS 132 HB2 LYS 132 0.359 6.501 40.953 1031 HB3 LYS 132 HB3 LYS 132 0.260 5.653 42.479 1032 HG2 LYS 132 HG2 LYS 132 2.698 6.097 42.795 1033 HG3 LYS 132 HG3 LYS 132 2.607 7.148 41.374 1034 HD2 LYS 132 HD2 LYS 132 0.827 8.425 42.477 1035 HD3 LYS 132 HD3 LYS 132 1.008 7.399 43.899 1036 HE2 LYS 132 HE2 LYS 132 3.249 8.185 44.249 1037 HE3 LYS 132 HE3 LYS 132 3.217 9.079 42.729 1038 HZ1 LYS 132 HZ1 LYS 132 2.855 10.473 44.718 1039 HZ2 LYS 132 HZ2 LYS 132 1.416 9.631 45.025 1040 HZ3 LYS 132 HZ3 LYS 132 1.573 10.550 43.608 1041 H THR 133 H THR 133 -0.011 4.673 38.864 1042 HA THR 133 HA THR 133 -1.863 2.583 39.778 1043 HB THR 133 HB THR 133 -3.006 4.684 40.072 1044 HG1 THR 133 HG1 THR 133 -3.807 2.950 38.027 1045 HG21 THR 133 HG21 THR 133 -2.393 5.212 37.167 1046 HG22 THR 133 HG22 THR 133 -1.687 6.052 38.547 1047 HG23 THR 133 HG23 THR 133 -3.410 6.214 38.201 1048 H GLY 134 H GLY 134 0.127 3.807 37.295 1049 HA2 GLY 134 HA2 GLY 134 0.801 2.685 35.374 1050 HA3 GLY 134 HA3 GLY 134 -0.485 1.518 35.637 1051 H VAL 135 H VAL 135 -1.145 4.929 35.635 1052 HA VAL 135 HA VAL 135 -2.465 4.629 33.018 1053 HB VAL 135 HB VAL 135 -3.426 6.296 35.354 1054 HG11 VAL 135 HG11 VAL 135 -4.672 5.802 32.651 1055 HG12 VAL 135 HG12 VAL 135 -3.983 7.323 33.221 1056 HG13 VAL 135 HG13 VAL 135 -5.432 6.670 33.985 1057 HG21 VAL 135 HG21 VAL 135 -5.307 4.719 35.447 1058 HG22 VAL 135 HG22 VAL 135 -3.765 3.923 35.767 1059 HG23 VAL 135 HG23 VAL 135 -4.540 3.743 34.192 1060 H TRP 136 H TRP 136 -2.156 6.223 31.538 1061 HA TRP 136 HA TRP 136 -0.115 8.202 32.098 1062 HB2 TRP 136 HB2 TRP 136 -1.677 7.819 29.532 1063 HB3 TRP 136 HB3 TRP 136 -0.144 8.656 29.732 1064 HD1 TRP 136 HD1 TRP 136 -1.580 5.063 29.872 1065 HE1 TRP 136 HE1 TRP 136 0.297 3.414 29.243 1066 HE3 TRP 136 HE3 TRP 136 2.303 8.368 29.497 1067 HZ2 TRP 136 HZ2 TRP 136 3.054 3.510 28.667 1068 HZ3 TRP 136 HZ3 TRP 136 4.528 7.506 28.900 1069 HH2 TRP 136 HH2 TRP 136 4.896 5.125 28.493 1070 H GLU 137 H GLU 137 -0.811 9.934 33.224 1071 HA GLU 137 HA GLU 137 -3.527 10.877 32.967 1072 HB2 GLU 137 HB2 GLU 137 -1.213 12.023 34.529 1073 HB3 GLU 137 HB3 GLU 137 -2.896 12.510 34.683 1074 HG2 GLU 137 HG2 GLU 137 -3.409 10.148 35.352 1075 HG3 GLU 137 HG3 GLU 137 -1.668 9.874 35.425 1076 H LYS 138 H LYS 138 -0.434 12.639 32.760 1077 HA LYS 138 HA LYS 138 -1.540 14.785 31.290 1078 HB2 LYS 138 HB2 LYS 138 0.445 15.177 32.570 1079 HB3 LYS 138 HB3 LYS 138 1.308 13.899 31.732 1080 HG2 LYS 138 HG2 LYS 138 2.021 16.123 31.015 1081 HG3 LYS 138 HG3 LYS 138 1.325 15.190 29.691 1082 HD2 LYS 138 HD2 LYS 138 0.523 17.460 29.571 1083 HD3 LYS 138 HD3 LYS 138 -0.810 16.398 30.019 1084 HE2 LYS 138 HE2 LYS 138 -0.590 17.057 32.341 1085 HE3 LYS 138 HE3 LYS 138 0.809 18.055 31.948 1086 HZ1 LYS 138 HZ1 LYS 138 -1.971 18.468 30.994 1087 HZ2 LYS 138 HZ2 LYS 138 -0.638 19.394 30.503 1088 HZ3 LYS 138 HZ3 LYS 138 -1.141 19.422 32.123 1089 H ARG 139 H ARG 139 -2.190 14.773 29.305 1090 HA ARG 139 HA ARG 139 -0.878 12.999 27.365 1091 HB2 ARG 139 HB2 ARG 139 -3.824 13.676 27.545 1092 HB3 ARG 139 HB3 ARG 139 -3.078 12.692 26.291 1093 HG2 ARG 139 HG2 ARG 139 -2.529 10.980 27.835 1094 HG3 ARG 139 HG3 ARG 139 -2.952 11.998 29.210 1095 HD2 ARG 139 HD2 ARG 139 -5.293 11.975 28.502 1096 HD3 ARG 139 HD3 ARG 139 -4.864 10.954 27.126 1097 HE ARG 139 HE ARG 139 -4.231 10.003 29.825 1098 HH11 ARG 139 HH11 ARG 139 -6.260 9.792 26.984 1099 HH12 ARG 139 HH12 ARG 139 -6.789 8.175 27.324 1100 HH21 ARG 139 HH21 ARG 139 -4.941 7.873 30.279 1101 HH22 ARG 139 HH22 ARG 139 -6.012 7.067 29.168 1102 H LYS 140 H LYS 140 0.281 14.297 26.129 1103 HA LYS 140 HA LYS 140 -0.605 17.013 25.624 1104 HB2 LYS 140 HB2 LYS 140 1.829 16.190 26.117 1105 HB3 LYS 140 HB3 LYS 140 1.846 15.788 24.404 1106 HG2 LYS 140 HG2 LYS 140 1.309 18.109 23.858 1107 HG3 LYS 140 HG3 LYS 140 1.308 18.507 25.577 1108 HD2 LYS 140 HD2 LYS 140 3.683 17.654 25.643 1109 HD3 LYS 140 HD3 LYS 140 3.623 17.619 23.879 1110 HE2 LYS 140 HE2 LYS 140 4.580 19.696 24.402 1111 HE3 LYS 140 HE3 LYS 140 2.899 20.052 24.015 1112 HZ1 LYS 140 HZ1 LYS 140 2.376 20.205 26.343 1113 HZ2 LYS 140 HZ2 LYS 140 3.703 21.209 26.025 1114 HZ3 LYS 140 HZ3 LYS 140 3.939 19.709 26.780 1115 H ILE 141 H ILE 141 -1.403 17.745 23.730 1116 HA ILE 141 HA ILE 141 -1.759 15.726 21.627 1117 HB ILE 141 HB ILE 141 -3.840 16.195 22.886 1118 HG12 ILE 141 HG12 ILE 141 -3.833 17.074 19.994 1119 HG13 ILE 141 HG13 ILE 141 -3.965 15.418 20.585 1120 HG21 ILE 141 HG21 ILE 141 -4.993 18.332 22.590 1121 HG22 ILE 141 HG22 ILE 141 -3.574 18.973 21.759 1122 HG23 ILE 141 HG23 ILE 141 -3.471 18.516 23.461 1123 HD11 ILE 141 HD11 ILE 141 -6.109 15.936 21.601 1124 HD12 ILE 141 HD12 ILE 141 -6.120 16.304 19.877 1125 HD13 ILE 141 HD13 ILE 141 -5.979 17.608 21.056 1126 H PHE 142 H PHE 142 -0.912 16.227 19.773 1127 HA PHE 142 HA PHE 142 -0.353 19.053 19.172 1128 HB2 PHE 142 HB2 PHE 142 0.988 16.550 18.108 1129 HB3 PHE 142 HB3 PHE 142 1.355 18.184 17.578 1130 HD1 PHE 142 HD1 PHE 142 2.775 19.596 18.844 1131 HD2 PHE 142 HD2 PHE 142 1.564 15.831 20.404 1132 HE1 PHE 142 HE1 PHE 142 4.486 19.777 20.593 1133 HE2 PHE 142 HE2 PHE 142 3.272 16.007 22.160 1134 HZ PHE 142 HZ PHE 142 4.739 17.980 22.257 1135 H VAL 143 H VAL 143 -1.994 19.799 17.943 1136 HA VAL 143 HA VAL 143 -3.187 18.065 15.917 1137 HB VAL 143 HB VAL 143 -3.908 20.897 16.658 1138 HG11 VAL 143 HG11 VAL 143 -4.549 20.334 14.381 1139 HG12 VAL 143 HG12 VAL 143 -5.972 20.479 15.412 1140 HG13 VAL 143 HG13 VAL 143 -5.369 18.884 14.960 1141 HG21 VAL 143 HG21 VAL 143 -5.238 18.313 17.447 1142 HG22 VAL 143 HG22 VAL 143 -5.817 19.935 17.828 1143 HG23 VAL 143 HG23 VAL 143 -4.295 19.359 18.510 1144 H ALA 144 H ALA 144 -1.775 17.870 14.329 1145 HA ALA 144 HA ALA 144 -0.596 20.274 13.155 1146 HB1 ALA 144 HB1 ALA 144 -0.061 17.368 12.535 1147 HB2 ALA 144 HB2 ALA 144 0.902 18.385 13.608 1148 HB3 ALA 144 HB3 ALA 144 0.815 18.753 11.885 1149 H THR 145 H THR 145 -2.175 21.222 11.958 1150 HA THR 145 HA THR 145 -4.059 19.712 10.420 1151 HB THR 145 HB THR 145 -3.471 22.662 10.143 1152 HG1 THR 145 HG1 THR 145 -4.499 21.238 12.267 1153 HG21 THR 145 HG21 THR 145 -5.879 22.777 9.609 1154 HG22 THR 145 HG22 THR 145 -5.983 21.023 9.761 1155 HG23 THR 145 HG23 THR 145 -5.003 21.740 8.480 1156 H GLU 146 H GLU 146 -4.074 19.343 8.217 1157 HA GLU 146 HA GLU 146 -1.622 19.032 6.936 1158 HB2 GLU 146 HB2 GLU 146 -3.751 17.803 6.407 1159 HB3 GLU 146 HB3 GLU 146 -4.304 19.245 5.567 1160 HG2 GLU 146 HG2 GLU 146 -2.727 19.022 3.880 1161 HG3 GLU 146 HG3 GLU 146 -1.707 17.955 4.843 1162 H VAL 147 H VAL 147 -0.320 20.451 6.177 1163 HA VAL 147 HA VAL 147 -1.324 23.116 5.525 1164 HB VAL 147 HB VAL 147 0.320 23.103 7.301 1165 HG11 VAL 147 HG11 VAL 147 2.554 22.279 7.041 1166 HG12 VAL 147 HG12 VAL 147 2.244 21.857 5.355 1167 HG13 VAL 147 HG13 VAL 147 1.417 20.990 6.648 1168 HG21 VAL 147 HG21 VAL 147 0.326 24.991 5.732 1169 HG22 VAL 147 HG22 VAL 147 1.551 24.169 4.763 1170 HG23 VAL 147 HG23 VAL 147 1.926 24.681 6.411 1171 H LYS 148 H LYS 148 -1.311 23.789 3.528 1172 HA LYS 148 HA LYS 148 -0.393 22.034 1.448 1173 HB2 LYS 148 HB2 LYS 148 -1.381 23.804 -0.054 1174 HB3 LYS 148 HB3 LYS 148 -2.498 23.061 1.081 1175 HG2 LYS 148 HG2 LYS 148 -1.901 25.112 2.577 1176 HG3 LYS 148 HG3 LYS 148 -1.381 25.824 1.050 1177 HD2 LYS 148 HD2 LYS 148 -3.672 26.437 1.482 1178 HD3 LYS 148 HD3 LYS 148 -3.614 25.333 0.107 1179 HE2 LYS 148 HE2 LYS 148 -4.283 23.487 1.526 1180 HE3 LYS 148 HE3 LYS 148 -4.234 24.528 2.948 1181 HZ1 LYS 148 HZ1 LYS 148 -6.485 24.304 2.259 1182 HZ2 LYS 148 HZ2 LYS 148 -6.113 24.709 0.657 1183 HZ3 LYS 148 HZ3 LYS 148 -5.998 25.884 1.877 1184 H1 JPT 201 H7 UNK 201 -1.511 6.808 27.308 1185 H11 JPT 201 H11 UNK 201 -0.963 4.351 26.813 1186 H12 JPT 201 H12 UNK 201 0.013 5.133 22.344 1187 H13 JPT 201 H13 UNK 201 -1.047 7.195 23.541 1188 H62 JPT 201 H62 UNK 201 -4.658 7.089 22.771 1189 H61 JPT 201 H61 UNK 201 -6.228 6.396 23.232 1190 H3 JPT 201 H3 UNK 201 -6.443 8.573 22.389 1191 H4 JPT 201 H4 UNK 201 -4.103 5.596 28.916 1192 H2 JPT 201 H2 UNK 201 -6.892 6.203 25.529 Start of MODEL 10 1 HA MET 1 HA MET 1 -6.009 10.873 -3.137 2 HB2 MET 1 HB2 MET 1 -6.499 12.673 -4.708 3 HB3 MET 1 HB3 MET 1 -5.764 13.321 -3.249 4 HG2 MET 1 HG2 MET 1 -3.607 13.459 -4.420 5 HG3 MET 1 HG3 MET 1 -4.386 12.866 -5.887 6 HE1 MET 1 HE1 MET 1 -3.489 14.992 -7.240 7 HE2 MET 1 HE2 MET 1 -2.695 15.555 -5.769 8 HE3 MET 1 HE3 MET 1 -3.723 16.651 -6.691 9 H GLN 2 H GLN 2 -6.840 10.611 -5.493 10 HA GLN 2 HA GLN 2 -6.831 9.391 -7.400 11 HB2 GLN 2 HB2 GLN 2 -4.814 10.665 -8.072 12 HB3 GLN 2 HB3 GLN 2 -3.825 9.449 -7.277 13 HG2 GLN 2 HG2 GLN 2 -4.641 7.755 -8.823 14 HG3 GLN 2 HG3 GLN 2 -5.663 8.958 -9.609 15 HE21 GLN 2 HE21 GLN 2 -2.436 7.782 -9.169 16 HE22 GLN 2 HE22 GLN 2 -1.704 8.711 -10.429 17 H ALA 3 H ALA 3 -4.058 8.240 -5.704 18 HA ALA 3 HA ALA 3 -5.113 5.529 -5.613 19 HB1 ALA 3 HB1 ALA 3 -2.484 6.635 -4.628 20 HB2 ALA 3 HB2 ALA 3 -2.745 5.793 -6.156 21 HB3 ALA 3 HB3 ALA 3 -2.945 4.932 -4.629 22 H LYS 4 H LYS 4 -5.824 4.552 -3.735 23 HA LYS 4 HA LYS 4 -6.066 6.352 -1.438 24 HB2 LYS 4 HB2 LYS 4 -7.875 4.333 -2.596 25 HB3 LYS 4 HB3 LYS 4 -7.840 4.430 -0.839 26 HG2 LYS 4 HG2 LYS 4 -8.262 6.868 -1.033 27 HG3 LYS 4 HG3 LYS 4 -8.460 6.640 -2.773 28 HD2 LYS 4 HD2 LYS 4 -10.413 5.400 -2.512 29 HD3 LYS 4 HD3 LYS 4 -10.051 5.007 -0.830 30 HE2 LYS 4 HE2 LYS 4 -11.881 6.657 -1.078 31 HE3 LYS 4 HE3 LYS 4 -10.512 7.268 -0.147 32 HZ1 LYS 4 HZ1 LYS 4 -9.752 8.469 -2.078 33 HZ2 LYS 4 HZ2 LYS 4 -11.354 8.895 -1.738 34 HZ3 LYS 4 HZ3 LYS 4 -11.012 7.835 -3.020 35 HA PRO 5 HA PRO 5 -3.345 3.378 0.676 36 HB2 PRO 5 HB2 PRO 5 -2.666 5.283 2.521 37 HB3 PRO 5 HB3 PRO 5 -1.757 5.010 1.031 38 HG2 PRO 5 HG2 PRO 5 -3.833 7.072 1.636 39 HG3 PRO 5 HG3 PRO 5 -2.299 7.253 0.762 40 HD2 PRO 5 HD2 PRO 5 -4.653 7.060 -0.528 41 HD3 PRO 5 HD3 PRO 5 -3.169 6.350 -1.195 42 H GLN 6 H GLN 6 -4.576 2.110 1.882 43 HA GLN 6 HA GLN 6 -6.581 3.364 3.624 44 HB2 GLN 6 HB2 GLN 6 -8.127 1.543 3.075 45 HB3 GLN 6 HB3 GLN 6 -7.673 2.450 1.640 46 HG2 GLN 6 HG2 GLN 6 -5.994 0.672 1.145 47 HG3 GLN 6 HG3 GLN 6 -6.676 -0.259 2.477 48 HE21 GLN 6 HE21 GLN 6 -8.533 1.765 0.304 49 HE22 GLN 6 HE22 GLN 6 -9.385 0.481 -0.472 50 H ILE 7 H ILE 7 -6.928 2.499 5.544 51 HA ILE 7 HA ILE 7 -4.916 0.941 6.771 52 HB ILE 7 HB ILE 7 -7.599 1.971 7.634 53 HG12 ILE 7 HG12 ILE 7 -5.038 2.597 8.993 54 HG13 ILE 7 HG13 ILE 7 -5.264 3.240 7.369 55 HG21 ILE 7 HG21 ILE 7 -7.427 -0.069 8.844 56 HG22 ILE 7 HG22 ILE 7 -6.989 1.240 9.944 57 HG23 ILE 7 HG23 ILE 7 -5.732 0.235 9.221 58 HD11 ILE 7 HD11 ILE 7 -7.166 3.648 9.652 59 HD12 ILE 7 HD12 ILE 7 -7.254 4.384 8.048 60 HD13 ILE 7 HD13 ILE 7 -5.930 4.798 9.143 61 HA PRO 8 HA PRO 8 -6.721 -3.011 5.645 62 HB2 PRO 8 HB2 PRO 8 -4.667 -4.536 6.460 63 HB3 PRO 8 HB3 PRO 8 -4.571 -3.570 4.984 64 HG2 PRO 8 HG2 PRO 8 -3.449 -2.999 7.697 65 HG3 PRO 8 HG3 PRO 8 -2.708 -2.751 6.105 66 HD2 PRO 8 HD2 PRO 8 -3.906 -0.762 7.576 67 HD3 PRO 8 HD3 PRO 8 -3.748 -0.732 5.809 68 H LYS 9 H LYS 9 -7.048 -5.101 6.871 69 HA LYS 9 HA LYS 9 -7.734 -4.511 9.643 70 HB2 LYS 9 HB2 LYS 9 -8.491 -6.671 7.725 71 HB3 LYS 9 HB3 LYS 9 -8.727 -6.902 9.453 72 HG2 LYS 9 HG2 LYS 9 -9.829 -4.600 7.861 73 HG3 LYS 9 HG3 LYS 9 -10.735 -6.054 8.295 74 HD2 LYS 9 HD2 LYS 9 -10.482 -5.566 10.642 75 HD3 LYS 9 HD3 LYS 9 -9.431 -4.196 10.282 76 HE2 LYS 9 HE2 LYS 9 -12.336 -4.445 9.516 77 HE3 LYS 9 HE3 LYS 9 -11.701 -3.480 10.846 78 HZ1 LYS 9 HZ1 LYS 9 -11.967 -1.961 9.139 79 HZ2 LYS 9 HZ2 LYS 9 -11.423 -3.033 7.943 80 HZ3 LYS 9 HZ3 LYS 9 -10.315 -2.345 9.035 81 H ASP 10 H ASP 10 -5.051 -4.646 8.950 82 HA ASP 10 HA ASP 10 -4.178 -6.891 10.641 83 HB2 ASP 10 HB2 ASP 10 -3.502 -7.122 8.204 84 HB3 ASP 10 HB3 ASP 10 -2.550 -5.657 8.406 85 H LYS 11 H LYS 11 -3.767 -5.920 12.543 86 HA LYS 11 HA LYS 11 -3.148 -3.131 12.729 87 HB2 LYS 11 HB2 LYS 11 -2.958 -5.172 14.947 88 HB3 LYS 11 HB3 LYS 11 -3.195 -3.439 15.106 89 HG2 LYS 11 HG2 LYS 11 -5.405 -3.642 14.088 90 HG3 LYS 11 HG3 LYS 11 -5.168 -5.383 13.923 91 HD2 LYS 11 HD2 LYS 11 -4.710 -5.238 16.511 92 HD3 LYS 11 HD3 LYS 11 -5.657 -3.750 16.381 93 HE2 LYS 11 HE2 LYS 11 -7.109 -5.596 16.944 94 HE3 LYS 11 HE3 LYS 11 -7.470 -5.034 15.312 95 HZ1 LYS 11 HZ1 LYS 11 -5.786 -7.391 15.979 96 HZ2 LYS 11 HZ2 LYS 11 -6.191 -6.867 14.420 97 HZ3 LYS 11 HZ3 LYS 11 -7.400 -7.458 15.453 98 H SER 12 H SER 12 -1.228 -5.734 11.998 99 HA SER 12 HA SER 12 1.093 -4.774 13.489 100 HB2 SER 12 HB2 SER 12 0.682 -7.165 13.589 101 HB3 SER 12 HB3 SER 12 0.652 -7.269 11.830 102 HG SER 12 HG SER 12 2.735 -7.484 13.457 103 H LYS 13 H LYS 13 -0.345 -4.656 10.393 104 HA LYS 13 HA LYS 13 2.103 -4.097 8.965 105 HB2 LYS 13 HB2 LYS 13 -0.793 -3.896 8.146 106 HB3 LYS 13 HB3 LYS 13 0.549 -3.511 7.079 107 HG2 LYS 13 HG2 LYS 13 1.361 -5.885 7.537 108 HG3 LYS 13 HG3 LYS 13 -0.247 -6.165 8.207 109 HD2 LYS 13 HD2 LYS 13 -1.278 -5.525 6.114 110 HD3 LYS 13 HD3 LYS 13 0.298 -5.130 5.426 111 HE2 LYS 13 HE2 LYS 13 -0.278 -7.267 4.588 112 HE3 LYS 13 HE3 LYS 13 0.948 -7.533 5.824 113 HZ1 LYS 13 HZ1 LYS 13 -0.838 -9.130 6.026 114 HZ2 LYS 13 HZ2 LYS 13 -1.983 -7.890 6.166 115 HZ3 LYS 13 HZ3 LYS 13 -0.826 -8.115 7.386 116 H VAL 14 H VAL 14 1.960 -2.028 7.508 117 HA VAL 14 HA VAL 14 1.384 0.223 9.300 118 HB VAL 14 HB VAL 14 3.748 -0.025 8.871 119 HG11 VAL 14 HG11 VAL 14 3.066 0.170 5.948 120 HG12 VAL 14 HG12 VAL 14 3.673 -1.258 6.786 121 HG13 VAL 14 HG13 VAL 14 4.692 0.173 6.626 122 HG21 VAL 14 HG21 VAL 14 4.236 2.184 7.883 123 HG22 VAL 14 HG22 VAL 14 2.941 2.238 9.080 124 HG23 VAL 14 HG23 VAL 14 2.555 2.289 7.359 125 H ALA 15 H ALA 15 0.099 1.846 8.596 126 HA ALA 15 HA ALA 15 -1.127 1.576 5.950 127 HB1 ALA 15 HB1 ALA 15 -2.609 1.858 7.875 128 HB2 ALA 15 HB2 ALA 15 -2.761 3.215 6.760 129 HB3 ALA 15 HB3 ALA 15 -1.841 3.397 8.254 130 H GLY 16 H GLY 16 0.940 3.659 7.814 131 HA2 GLY 16 HA2 GLY 16 1.987 4.900 5.463 132 HA3 GLY 16 HA3 GLY 16 0.990 6.008 6.405 133 H TYR 17 H TYR 17 3.754 6.358 5.964 134 HA TYR 17 HA TYR 17 4.951 5.663 8.558 135 HB2 TYR 17 HB2 TYR 17 6.237 6.651 6.007 136 HB3 TYR 17 HB3 TYR 17 7.102 6.299 7.495 137 HD1 TYR 17 HD1 TYR 17 4.999 4.739 4.860 138 HD2 TYR 17 HD2 TYR 17 7.837 4.128 7.969 139 HE1 TYR 17 HE1 TYR 17 5.242 2.397 4.166 140 HE2 TYR 17 HE2 TYR 17 8.090 1.782 7.284 141 HH TYR 17 HH TYR 17 6.994 0.582 4.356 142 H ILE 18 H ILE 18 5.607 7.220 9.968 143 HA ILE 18 HA ILE 18 4.840 9.963 9.257 144 HB ILE 18 HB ILE 18 3.678 9.052 11.220 145 HG12 ILE 18 HG12 ILE 18 4.243 10.885 12.818 146 HG13 ILE 18 HG13 ILE 18 5.644 11.264 11.819 147 HG21 ILE 18 HG21 ILE 18 6.425 8.819 12.429 148 HG22 ILE 18 HG22 ILE 18 5.313 7.499 12.057 149 HG23 ILE 18 HG23 ILE 18 4.910 8.662 13.321 150 HD11 ILE 18 HD11 ILE 18 4.173 11.764 9.945 151 HD12 ILE 18 HD12 ILE 18 3.791 12.755 11.354 152 HD13 ILE 18 HD13 ILE 18 2.769 11.375 10.943 153 H GLU 19 H GLU 19 6.411 11.322 8.791 154 HA GLU 19 HA GLU 19 9.007 10.945 10.106 155 HB2 GLU 19 HB2 GLU 19 8.581 11.735 7.221 156 HB3 GLU 19 HB3 GLU 19 10.133 11.702 8.044 157 HG2 GLU 19 HG2 GLU 19 9.671 9.237 8.469 158 HG3 GLU 19 HG3 GLU 19 8.374 9.396 7.285 159 H ILE 20 H ILE 20 9.263 12.527 11.427 160 HA ILE 20 HA ILE 20 8.709 15.268 10.501 161 HB ILE 20 HB ILE 20 8.708 14.341 13.381 162 HG12 ILE 20 HG12 ILE 20 6.316 15.016 11.655 163 HG13 ILE 20 HG13 ILE 20 6.829 13.372 12.018 164 HG21 ILE 20 HG21 ILE 20 9.284 16.679 13.071 165 HG22 ILE 20 HG22 ILE 20 7.692 16.520 13.817 166 HG23 ILE 20 HG23 ILE 20 7.828 16.922 12.105 167 HD11 ILE 20 HD11 ILE 20 4.982 14.075 13.428 168 HD12 ILE 20 HD12 ILE 20 5.945 15.419 14.039 169 HD13 ILE 20 HD13 ILE 20 6.429 13.758 14.383 170 HA PRO 21 HA PRO 21 13.202 14.705 10.659 171 HB2 PRO 21 HB2 PRO 21 13.188 17.345 9.342 172 HB3 PRO 21 HB3 PRO 21 13.890 15.820 8.795 173 HG2 PRO 21 HG2 PRO 21 11.691 16.824 7.645 174 HG3 PRO 21 HG3 PRO 21 11.902 15.082 7.880 175 HD2 PRO 21 HD2 PRO 21 10.265 17.016 9.469 176 HD3 PRO 21 HD3 PRO 21 9.864 15.366 8.942 177 H ASP 22 H ASP 22 11.379 17.488 11.639 178 HA ASP 22 HA ASP 22 13.466 18.922 12.905 179 HB2 ASP 22 HB2 ASP 22 11.357 19.981 12.274 180 HB3 ASP 22 HB3 ASP 22 10.489 18.975 13.417 181 H ALA 23 H ALA 23 11.384 16.318 13.950 182 HA ALA 23 HA ALA 23 12.522 16.522 16.660 183 HB1 ALA 23 HB1 ALA 23 10.001 15.118 15.777 184 HB2 ALA 23 HB2 ALA 23 10.072 16.698 16.556 185 HB3 ALA 23 HB3 ALA 23 10.587 15.256 17.432 186 H ASP 24 H ASP 24 13.163 15.043 13.908 187 HA ASP 24 HA ASP 24 14.276 13.189 13.245 188 HB2 ASP 24 HB2 ASP 24 15.719 13.780 15.193 189 HB3 ASP 24 HB3 ASP 24 14.757 12.695 16.188 190 H ILE 25 H ILE 25 11.422 13.154 14.042 191 HA ILE 25 HA ILE 25 10.852 10.485 14.975 192 HB ILE 25 HB ILE 25 9.164 12.735 13.917 193 HG12 ILE 25 HG12 ILE 25 9.145 11.336 16.597 194 HG13 ILE 25 HG13 ILE 25 10.054 12.807 16.261 195 HG21 ILE 25 HG21 ILE 25 8.208 9.995 14.716 196 HG22 ILE 25 HG22 ILE 25 8.241 10.645 13.076 197 HG23 ILE 25 HG23 ILE 25 7.181 11.368 14.295 198 HD11 ILE 25 HD11 ILE 25 7.927 13.225 17.410 199 HD12 ILE 25 HD12 ILE 25 7.069 12.542 16.028 200 HD13 ILE 25 HD13 ILE 25 8.017 14.014 15.836 201 H LYS 26 H LYS 26 11.121 8.759 13.644 202 HA LYS 26 HA LYS 26 10.095 8.890 10.924 203 HB2 LYS 26 HB2 LYS 26 12.933 7.977 11.391 204 HB3 LYS 26 HB3 LYS 26 12.124 8.247 9.855 205 HG2 LYS 26 HG2 LYS 26 12.101 10.623 10.231 206 HG3 LYS 26 HG3 LYS 26 12.772 10.404 11.846 207 HD2 LYS 26 HD2 LYS 26 14.103 9.836 9.219 208 HD3 LYS 26 HD3 LYS 26 14.505 11.102 10.376 209 HE2 LYS 26 HE2 LYS 26 14.782 8.130 10.803 210 HE3 LYS 26 HE3 LYS 26 16.097 9.270 10.537 211 HZ1 LYS 26 HZ1 LYS 26 15.472 10.379 12.626 212 HZ2 LYS 26 HZ2 LYS 26 15.906 8.759 12.860 213 HZ3 LYS 26 HZ3 LYS 26 14.276 9.203 12.887 214 H GLU 27 H GLU 27 8.621 7.282 11.372 215 HA GLU 27 HA GLU 27 9.569 4.624 11.124 216 HB2 GLU 27 HB2 GLU 27 9.176 5.569 13.826 217 HB3 GLU 27 HB3 GLU 27 8.057 4.260 13.462 218 HG2 GLU 27 HG2 GLU 27 10.138 3.046 12.539 219 HG3 GLU 27 HG3 GLU 27 11.045 4.239 13.467 220 HA PRO 28 HA PRO 28 5.521 3.896 9.535 221 HB2 PRO 28 HB2 PRO 28 5.316 1.352 11.002 222 HB3 PRO 28 HB3 PRO 28 5.367 1.641 9.262 223 HG2 PRO 28 HG2 PRO 28 7.430 0.541 10.565 224 HG3 PRO 28 HG3 PRO 28 7.669 1.642 9.197 225 HD2 PRO 28 HD2 PRO 28 7.908 2.182 12.130 226 HD3 PRO 28 HD3 PRO 28 8.942 2.734 10.795 227 H VAL 29 H VAL 29 3.382 4.135 10.002 228 HA VAL 29 HA VAL 29 2.610 4.235 12.838 229 HB VAL 29 HB VAL 29 1.188 5.409 10.434 230 HG11 VAL 29 HG11 VAL 29 -0.368 4.780 12.198 231 HG12 VAL 29 HG12 VAL 29 -0.230 6.534 12.098 232 HG13 VAL 29 HG13 VAL 29 0.597 5.657 13.385 233 HG21 VAL 29 HG21 VAL 29 1.867 7.576 11.352 234 HG22 VAL 29 HG22 VAL 29 3.261 6.582 10.930 235 HG23 VAL 29 HG23 VAL 29 2.776 6.750 12.618 236 H TYR 30 H TYR 30 1.428 2.628 13.587 237 HA TYR 30 HA TYR 30 0.394 0.669 11.689 238 HB2 TYR 30 HB2 TYR 30 0.683 0.475 14.697 239 HB3 TYR 30 HB3 TYR 30 0.293 -0.847 13.598 240 HD1 TYR 30 HD1 TYR 30 2.066 -1.104 11.604 241 HD2 TYR 30 HD2 TYR 30 2.892 0.629 15.401 242 HE1 TYR 30 HE1 TYR 30 4.460 -1.550 11.278 243 HE2 TYR 30 HE2 TYR 30 5.291 0.177 15.089 244 HH TYR 30 HH TYR 30 6.555 -0.969 12.025 245 HA PRO 31 HA PRO 31 -3.704 2.053 12.595 246 HB2 PRO 31 HB2 PRO 31 -4.999 0.461 10.896 247 HB3 PRO 31 HB3 PRO 31 -3.925 1.742 10.326 248 HG2 PRO 31 HG2 PRO 31 -3.510 -1.193 10.374 249 HG3 PRO 31 HG3 PRO 31 -2.849 0.019 9.265 250 HD2 PRO 31 HD2 PRO 31 -1.568 -1.150 11.521 251 HD3 PRO 31 HD3 PRO 31 -0.959 0.160 10.492 252 H GLY 32 H GLY 32 -5.580 1.437 13.702 253 HA2 GLY 32 HA2 GLY 32 -6.826 -0.831 14.120 254 HA3 GLY 32 HA3 GLY 32 -5.391 -1.129 15.086 255 HA PRO 33 HA PRO 33 -8.591 1.043 17.702 256 HB2 PRO 33 HB2 PRO 33 -9.094 -0.917 19.436 257 HB3 PRO 33 HB3 PRO 33 -9.826 -0.903 17.834 258 HG2 PRO 33 HG2 PRO 33 -7.421 -2.435 18.774 259 HG3 PRO 33 HG3 PRO 33 -8.813 -3.020 17.844 260 HD2 PRO 33 HD2 PRO 33 -6.455 -2.317 16.702 261 HD3 PRO 33 HD3 PRO 33 -8.017 -2.157 15.875 262 H ALA 34 H ALA 34 -5.509 0.186 17.888 263 HA ALA 34 HA ALA 34 -3.744 0.654 19.230 264 HB1 ALA 34 HB1 ALA 34 -3.929 2.495 20.798 265 HB2 ALA 34 HB2 ALA 34 -5.689 2.414 20.719 266 HB3 ALA 34 HB3 ALA 34 -4.762 2.889 19.295 267 H THR 35 H THR 35 -4.171 -1.693 19.835 268 HA THR 35 HA THR 35 -4.996 -2.030 22.608 269 HB THR 35 HB THR 35 -4.568 -4.471 22.164 270 HG1 THR 35 HG1 THR 35 -4.022 -5.144 20.143 271 HG21 THR 35 HG21 THR 35 -6.529 -4.789 20.719 272 HG22 THR 35 HG22 THR 35 -6.470 -3.086 20.271 273 HG23 THR 35 HG23 THR 35 -6.814 -3.547 21.937 274 HA PRO 36 HA PRO 36 -1.020 -2.161 24.586 275 HB2 PRO 36 HB2 PRO 36 -1.624 -5.020 25.231 276 HB3 PRO 36 HB3 PRO 36 -1.052 -3.723 26.293 277 HG2 PRO 36 HG2 PRO 36 -3.595 -4.459 26.362 278 HG3 PRO 36 HG3 PRO 36 -3.163 -2.740 26.441 279 HD2 PRO 36 HD2 PRO 36 -4.273 -4.314 24.159 280 HD3 PRO 36 HD3 PRO 36 -4.584 -2.630 24.628 281 H GLU 37 H GLU 37 -1.882 -4.864 22.515 282 HA GLU 37 HA GLU 37 0.653 -5.973 22.055 283 HB2 GLU 37 HB2 GLU 37 -1.476 -5.701 19.933 284 HB3 GLU 37 HB3 GLU 37 -0.291 -6.982 20.122 285 HG2 GLU 37 HG2 GLU 37 -1.456 -7.950 21.905 286 HG3 GLU 37 HG3 GLU 37 -2.452 -6.512 22.145 287 H GLN 38 H GLN 38 -1.040 -3.271 20.556 288 HA GLN 38 HA GLN 38 0.905 -3.052 18.442 289 HB2 GLN 38 HB2 GLN 38 -1.340 -1.131 19.029 290 HB3 GLN 38 HB3 GLN 38 -0.512 -1.392 17.500 291 HG2 GLN 38 HG2 GLN 38 -2.479 -3.185 18.878 292 HG3 GLN 38 HG3 GLN 38 -2.613 -2.420 17.298 293 HE21 GLN 38 HE21 GLN 38 -2.828 -5.227 18.104 294 HE22 GLN 38 HE22 GLN 38 -1.672 -6.085 17.141 295 H LEU 39 H LEU 39 -0.031 -1.187 21.305 296 HA LEU 39 HA LEU 39 1.843 0.910 20.843 297 HB2 LEU 39 HB2 LEU 39 0.258 0.027 23.231 298 HB3 LEU 39 HB3 LEU 39 1.499 1.252 23.399 299 HG LEU 39 HG LEU 39 -0.652 2.316 23.172 300 HD11 LEU 39 HD11 LEU 39 1.243 3.449 22.161 301 HD12 LEU 39 HD12 LEU 39 -0.229 3.750 21.238 302 HD13 LEU 39 HD13 LEU 39 0.964 2.594 20.645 303 HD21 LEU 39 HD21 LEU 39 -0.916 0.856 20.549 304 HD22 LEU 39 HD22 LEU 39 -2.025 2.077 21.174 305 HD23 LEU 39 HD23 LEU 39 -1.848 0.536 22.013 306 H ASN 40 H ASN 40 2.227 -2.270 21.706 307 HA ASN 40 HA ASN 40 4.699 -1.901 23.179 308 HB2 ASN 40 HB2 ASN 40 3.815 -3.803 24.040 309 HB3 ASN 40 HB3 ASN 40 2.851 -4.123 22.606 310 HD21 ASN 40 HD21 ASN 40 3.608 -5.475 21.060 311 HD22 ASN 40 HD22 ASN 40 5.048 -6.419 21.234 312 H ARG 41 H ARG 41 3.640 -2.316 19.926 313 HA ARG 41 HA ARG 41 6.377 -2.965 19.081 314 HB2 ARG 41 HB2 ARG 41 5.397 -3.566 16.901 315 HB3 ARG 41 HB3 ARG 41 4.757 -4.528 18.222 316 HG2 ARG 41 HG2 ARG 41 2.732 -3.173 18.235 317 HG3 ARG 41 HG3 ARG 41 3.379 -2.193 16.919 318 HD2 ARG 41 HD2 ARG 41 3.045 -5.170 16.685 319 HD3 ARG 41 HD3 ARG 41 1.739 -4.049 16.305 320 HE ARG 41 HE ARG 41 2.949 -3.287 14.450 321 HH11 ARG 41 HH11 ARG 41 4.678 -5.788 16.179 322 HH12 ARG 41 HH12 ARG 41 5.751 -6.139 14.863 323 HH21 ARG 41 HH21 ARG 41 4.362 -3.768 12.702 324 HH22 ARG 41 HH22 ARG 41 5.587 -4.984 12.904 325 H GLY 42 H GLY 42 4.112 -0.444 19.211 326 HA2 GLY 42 HA2 GLY 42 5.881 1.553 18.613 327 HA3 GLY 42 HA3 GLY 42 5.205 1.105 17.054 328 H VAL 43 H VAL 43 4.356 3.253 16.943 329 HA VAL 43 HA VAL 43 2.155 3.864 18.760 330 HB VAL 43 HB VAL 43 3.488 5.512 16.599 331 HG11 VAL 43 HG11 VAL 43 1.149 6.120 16.706 332 HG12 VAL 43 HG12 VAL 43 2.129 7.389 17.439 333 HG13 VAL 43 HG13 VAL 43 1.237 6.261 18.460 334 HG21 VAL 43 HG21 VAL 43 3.505 5.729 19.609 335 HG22 VAL 43 HG22 VAL 43 4.232 6.891 18.500 336 HG23 VAL 43 HG23 VAL 43 4.854 5.244 18.579 337 H SER 44 H SER 44 0.053 3.882 18.140 338 HA SER 44 HA SER 44 -0.527 2.989 15.398 339 HB2 SER 44 HB2 SER 44 -1.932 2.070 17.917 340 HB3 SER 44 HB3 SER 44 -2.238 1.506 16.273 341 HG SER 44 HG SER 44 0.361 1.256 16.810 342 H PHE 45 H PHE 45 -2.887 3.315 14.835 343 HA PHE 45 HA PHE 45 -3.712 5.977 15.365 344 HB2 PHE 45 HB2 PHE 45 -5.125 3.641 14.073 345 HB3 PHE 45 HB3 PHE 45 -5.861 5.231 14.233 346 HD1 PHE 45 HD1 PHE 45 -4.540 3.254 11.898 347 HD2 PHE 45 HD2 PHE 45 -3.847 7.106 13.560 348 HE1 PHE 45 HE1 PHE 45 -3.479 3.958 9.798 349 HE2 PHE 45 HE2 PHE 45 -2.776 7.823 11.464 350 HZ PHE 45 HZ PHE 45 -2.591 6.251 9.578 351 H ALA 46 H ALA 46 -5.845 6.552 16.288 352 HA ALA 46 HA ALA 46 -6.136 5.196 18.848 353 HB1 ALA 46 HB1 ALA 46 -5.988 7.652 18.775 354 HB2 ALA 46 HB2 ALA 46 -7.498 7.093 19.498 355 HB3 ALA 46 HB3 ALA 46 -7.485 7.701 17.841 356 H GLU 47 H GLU 47 -7.810 5.564 15.832 357 HA GLU 47 HA GLU 47 -10.062 4.026 16.931 358 HB2 GLU 47 HB2 GLU 47 -9.918 6.335 15.105 359 HB3 GLU 47 HB3 GLU 47 -11.065 5.081 14.655 360 HG2 GLU 47 HG2 GLU 47 -10.992 6.261 17.404 361 HG3 GLU 47 HG3 GLU 47 -11.919 6.977 16.089 362 H GLU 48 H GLU 48 -10.789 2.257 15.888 363 HA GLU 48 HA GLU 48 -9.209 1.168 13.714 364 HB2 GLU 48 HB2 GLU 48 -10.177 -0.235 15.589 365 HB3 GLU 48 HB3 GLU 48 -11.768 0.072 14.906 366 HG2 GLU 48 HG2 GLU 48 -11.098 -1.021 12.835 367 HG3 GLU 48 HG3 GLU 48 -9.496 -1.320 13.509 368 H ASN 49 H ASN 49 -11.658 3.316 14.112 369 HA ASN 49 HA ASN 49 -13.035 2.848 11.593 370 HB2 ASN 49 HB2 ASN 49 -14.302 3.579 13.586 371 HB3 ASN 49 HB3 ASN 49 -13.331 5.042 13.669 372 HD21 ASN 49 HD21 ASN 49 -15.833 3.351 11.959 373 HD22 ASN 49 HD22 ASN 49 -16.431 4.723 11.074 374 H GLU 50 H GLU 50 -10.199 4.178 12.565 375 HA GLU 50 HA GLU 50 -9.888 6.677 11.481 376 HB2 GLU 50 HB2 GLU 50 -8.247 4.822 12.623 377 HB3 GLU 50 HB3 GLU 50 -7.649 4.828 10.971 378 HG2 GLU 50 HG2 GLU 50 -6.330 6.386 12.090 379 HG3 GLU 50 HG3 GLU 50 -7.505 7.351 11.199 380 H SER 51 H SER 51 -9.480 7.525 9.454 381 HA SER 51 HA SER 51 -9.325 5.704 7.174 382 HB2 SER 51 HB2 SER 51 -11.440 7.860 7.440 383 HB3 SER 51 HB3 SER 51 -11.159 6.870 6.007 384 HG SER 51 HG SER 51 -11.733 5.730 8.540 385 H LEU 52 H LEU 52 -7.987 6.457 5.613 386 HA LEU 52 HA LEU 52 -6.564 8.901 6.068 387 HB2 LEU 52 HB2 LEU 52 -6.467 6.975 3.741 388 HB3 LEU 52 HB3 LEU 52 -5.359 8.308 3.981 389 HG LEU 52 HG LEU 52 -4.180 6.424 4.666 390 HD11 LEU 52 HD11 LEU 52 -3.838 6.672 7.058 391 HD12 LEU 52 HD12 LEU 52 -5.339 7.589 7.178 392 HD13 LEU 52 HD13 LEU 52 -3.981 8.238 6.259 393 HD21 LEU 52 HD21 LEU 52 -6.578 5.507 6.218 394 HD22 LEU 52 HD22 LEU 52 -5.009 4.710 6.180 395 HD23 LEU 52 HD23 LEU 52 -5.976 4.820 4.708 396 H ASP 53 H ASP 53 -9.441 8.151 4.510 397 HA ASP 53 HA ASP 53 -9.253 10.238 2.493 398 HB2 ASP 53 HB2 ASP 53 -10.403 8.056 2.038 399 HB3 ASP 53 HB3 ASP 53 -11.623 8.500 3.225 400 H ASP 54 H ASP 54 -9.983 10.016 5.736 401 HA ASP 54 HA ASP 54 -12.036 12.084 5.747 402 HB2 ASP 54 HB2 ASP 54 -11.861 9.998 7.349 403 HB3 ASP 54 HB3 ASP 54 -10.744 11.026 8.240 404 H GLN 55 H GLN 55 -11.622 13.873 7.502 405 HA GLN 55 HA GLN 55 -9.009 15.012 6.785 406 HB2 GLN 55 HB2 GLN 55 -9.948 17.187 7.080 407 HB3 GLN 55 HB3 GLN 55 -11.047 16.260 6.070 408 HG2 GLN 55 HG2 GLN 55 -12.665 16.167 7.667 409 HG3 GLN 55 HG3 GLN 55 -11.514 16.303 8.997 410 HE21 GLN 55 HE21 GLN 55 -10.664 18.314 9.509 411 HE22 GLN 55 HE22 GLN 55 -11.455 19.780 9.059 412 H ASN 56 H ASN 56 -10.405 13.452 9.288 413 HA ASN 56 HA ASN 56 -8.559 14.763 11.131 414 HB2 ASN 56 HB2 ASN 56 -10.042 14.756 12.987 415 HB3 ASN 56 HB3 ASN 56 -10.899 15.518 11.662 416 HD21 ASN 56 HD21 ASN 56 -11.783 13.164 10.317 417 HD22 ASN 56 HD22 ASN 56 -12.928 12.381 11.344 418 H ILE 57 H ILE 57 -7.100 13.410 11.734 419 HA ILE 57 HA ILE 57 -7.797 10.563 12.003 420 HB ILE 57 HB ILE 57 -5.294 11.700 10.741 421 HG12 ILE 57 HG12 ILE 57 -7.447 10.002 9.477 422 HG13 ILE 57 HG13 ILE 57 -7.453 11.762 9.411 423 HG21 ILE 57 HG21 ILE 57 -6.111 8.825 11.166 424 HG22 ILE 57 HG22 ILE 57 -4.812 9.668 12.010 425 HG23 ILE 57 HG23 ILE 57 -4.691 9.370 10.275 426 HD11 ILE 57 HD11 ILE 57 -5.315 9.962 8.313 427 HD12 ILE 57 HD12 ILE 57 -5.330 11.725 8.238 428 HD13 ILE 57 HD13 ILE 57 -6.560 10.796 7.383 429 H SER 58 H SER 58 -7.140 9.630 13.810 430 HA SER 58 HA SER 58 -5.560 11.299 15.656 431 HB2 SER 58 HB2 SER 58 -7.553 9.116 16.302 432 HB3 SER 58 HB3 SER 58 -6.733 10.156 17.468 433 HG SER 58 HG SER 58 -8.655 10.875 15.522 434 H ILE 59 H ILE 59 -3.582 10.646 16.086 435 HA ILE 59 HA ILE 59 -2.957 7.772 15.880 436 HB ILE 59 HB ILE 59 -0.985 10.065 15.740 437 HG12 ILE 59 HG12 ILE 59 -2.149 8.405 13.485 438 HG13 ILE 59 HG13 ILE 59 -2.524 10.095 13.807 439 HG21 ILE 59 HG21 ILE 59 -0.711 7.121 15.139 440 HG22 ILE 59 HG22 ILE 59 -0.023 7.975 16.520 441 HG23 ILE 59 HG23 ILE 59 0.545 8.334 14.889 442 HD11 ILE 59 HD11 ILE 59 -0.943 9.877 11.983 443 HD12 ILE 59 HD12 ILE 59 0.169 9.002 13.036 444 HD13 ILE 59 HD13 ILE 59 -0.203 10.696 13.359 445 H ALA 60 H ALA 60 -2.741 6.794 17.774 446 HA ALA 60 HA ALA 60 -2.331 8.428 20.172 447 HB1 ALA 60 HB1 ALA 60 -3.316 5.590 19.902 448 HB2 ALA 60 HB2 ALA 60 -4.324 7.021 20.129 449 HB3 ALA 60 HB3 ALA 60 -3.212 6.513 21.401 450 H GLY 61 H GLY 61 -0.374 8.508 21.020 451 HA2 GLY 61 HA2 GLY 61 1.501 6.321 20.383 452 HA3 GLY 61 HA3 GLY 61 1.973 7.993 20.633 453 H HIS 62 H HIS 62 3.127 5.801 21.935 454 HA HIS 62 HA HIS 62 2.809 6.692 24.662 455 HB2 HIS 62 HB2 HIS 62 1.154 4.932 24.674 456 HB3 HIS 62 HB3 HIS 62 2.256 3.823 23.864 457 HD1 HIS 62 HD1 HIS 62 1.915 5.656 27.172 458 HD2 HIS 62 HD2 HIS 62 3.744 2.285 25.553 459 HE1 HIS 62 HE1 HIS 62 2.977 4.454 29.118 460 H THR 63 H THR 63 4.758 6.771 25.603 461 HA THR 63 HA THR 63 7.101 6.034 24.243 462 HB THR 63 HB THR 63 6.995 6.461 27.217 463 HG1 THR 63 HG1 THR 63 7.303 8.795 26.032 464 HG21 THR 63 HG21 THR 63 8.937 7.331 25.070 465 HG22 THR 63 HG22 THR 63 9.166 5.968 26.167 466 HG23 THR 63 HG23 THR 63 9.114 7.612 26.802 467 H PHE 64 H PHE 64 7.743 4.015 23.894 468 HA PHE 64 HA PHE 64 7.037 1.901 25.756 469 HB2 PHE 64 HB2 PHE 64 6.799 1.636 23.263 470 HB3 PHE 64 HB3 PHE 64 8.555 1.677 23.152 471 HD1 PHE 64 HD1 PHE 64 9.645 -0.338 23.056 472 HD2 PHE 64 HD2 PHE 64 5.896 -0.126 25.056 473 HE1 PHE 64 HE1 PHE 64 9.723 -2.764 23.449 474 HE2 PHE 64 HE2 PHE 64 5.971 -2.553 25.455 475 HZ PHE 64 HZ PHE 64 7.886 -3.876 24.651 476 H ILE 65 H ILE 65 8.397 1.007 27.151 477 HA ILE 65 HA ILE 65 10.640 2.422 27.992 478 HB ILE 65 HB ILE 65 9.905 -0.432 28.662 479 HG12 ILE 65 HG12 ILE 65 9.189 2.147 30.077 480 HG13 ILE 65 HG13 ILE 65 8.089 1.224 29.060 481 HG21 ILE 65 HG21 ILE 65 11.187 -0.086 30.701 482 HG22 ILE 65 HG22 ILE 65 11.594 1.550 30.187 483 HG23 ILE 65 HG23 ILE 65 12.209 0.165 29.284 484 HD11 ILE 65 HD11 ILE 65 9.349 0.274 31.622 485 HD12 ILE 65 HD12 ILE 65 8.256 -0.663 30.602 486 HD13 ILE 65 HD13 ILE 65 7.678 0.797 31.409 487 H ASP 66 H ASP 66 10.404 -0.435 25.957 488 HA ASP 66 HA ASP 66 13.288 -0.820 26.031 489 HB2 ASP 66 HB2 ASP 66 11.179 -2.435 24.582 490 HB3 ASP 66 HB3 ASP 66 12.863 -2.889 24.823 491 H ARG 67 H ARG 67 11.488 1.278 24.446 492 HA ARG 67 HA ARG 67 13.077 1.013 21.983 493 HB2 ARG 67 HB2 ARG 67 10.221 1.827 22.347 494 HB3 ARG 67 HB3 ARG 67 11.145 2.498 21.011 495 HG2 ARG 67 HG2 ARG 67 11.643 0.184 20.262 496 HG3 ARG 67 HG3 ARG 67 10.578 -0.412 21.538 497 HD2 ARG 67 HD2 ARG 67 8.683 0.616 20.563 498 HD3 ARG 67 HD3 ARG 67 9.678 1.563 19.459 499 HE ARG 67 HE ARG 67 9.395 -1.374 19.284 500 HH11 ARG 67 HH11 ARG 67 9.651 1.795 17.811 501 HH12 ARG 67 HH12 ARG 67 9.539 1.207 16.183 502 HH21 ARG 67 HH21 ARG 67 9.249 -2.164 17.127 503 HH22 ARG 67 HH22 ARG 67 9.304 -1.041 15.797 504 HA PRO 68 HA PRO 68 14.508 4.968 23.737 505 HB2 PRO 68 HB2 PRO 68 16.940 4.865 22.547 506 HB3 PRO 68 HB3 PRO 68 16.589 4.018 24.061 507 HG2 PRO 68 HG2 PRO 68 16.700 2.955 21.267 508 HG3 PRO 68 HG3 PRO 68 17.299 2.225 22.767 509 HD2 PRO 68 HD2 PRO 68 14.952 1.505 21.587 510 HD3 PRO 68 HD3 PRO 68 15.237 1.399 23.334 511 H ASN 69 H ASN 69 13.782 3.805 20.675 512 HA ASN 69 HA ASN 69 13.772 6.437 19.502 513 HB2 ASN 69 HB2 ASN 69 16.112 5.349 19.202 514 HB3 ASN 69 HB3 ASN 69 15.308 4.313 18.030 515 HD21 ASN 69 HD21 ASN 69 17.403 6.343 17.792 516 HD22 ASN 69 HD22 ASN 69 16.841 7.453 16.578 517 H TYR 70 H TYR 70 11.542 5.902 19.578 518 HA TYR 70 HA TYR 70 10.730 4.152 17.354 519 HB2 TYR 70 HB2 TYR 70 8.692 3.621 18.488 520 HB3 TYR 70 HB3 TYR 70 9.992 3.374 19.645 521 HD1 TYR 70 HD1 TYR 70 10.443 5.336 21.300 522 HD2 TYR 70 HD2 TYR 70 6.857 4.896 19.060 523 HE1 TYR 70 HE1 TYR 70 9.277 6.807 22.885 524 HE2 TYR 70 HE2 TYR 70 5.683 6.365 20.636 525 HH TYR 70 HH TYR 70 7.197 8.362 22.743 526 H GLN 71 H GLN 71 8.053 5.080 17.217 527 HA GLN 71 HA GLN 71 8.247 7.129 15.404 528 HB2 GLN 71 HB2 GLN 71 5.900 6.466 17.190 529 HB3 GLN 71 HB3 GLN 71 5.815 7.553 15.816 530 HG2 GLN 71 HG2 GLN 71 4.943 5.466 15.123 531 HG3 GLN 71 HG3 GLN 71 6.522 5.646 14.363 532 HE21 GLN 71 HE21 GLN 71 6.587 3.404 14.059 533 HE22 GLN 71 HE22 GLN 71 6.999 2.338 15.356 534 H PHE 72 H PHE 72 6.709 7.721 18.587 535 HA PHE 72 HA PHE 72 7.557 10.518 18.301 536 HB2 PHE 72 HB2 PHE 72 5.362 9.381 20.039 537 HB3 PHE 72 HB3 PHE 72 5.729 11.084 19.818 538 HD1 PHE 72 HD1 PHE 72 6.200 11.062 16.851 539 HD2 PHE 72 HD2 PHE 72 3.172 9.275 19.242 540 HE1 PHE 72 HE1 PHE 72 4.653 11.144 14.941 541 HE2 PHE 72 HE2 PHE 72 1.618 9.353 17.336 542 HZ PHE 72 HZ PHE 72 2.360 10.287 15.182 543 H THR 73 H THR 73 9.703 9.619 19.115 544 HA THR 73 HA THR 73 9.768 9.195 22.007 545 HB THR 73 HB THR 73 12.217 9.380 20.274 546 HG1 THR 73 HG1 THR 73 11.028 7.921 19.118 547 HG21 THR 73 HG21 THR 73 12.492 9.144 22.700 548 HG22 THR 73 HG22 THR 73 13.066 7.710 21.849 549 HG23 THR 73 HG23 THR 73 11.504 7.683 22.669 550 H ASN 74 H ASN 74 10.869 11.477 19.556 551 HA ASN 74 HA ASN 74 11.724 13.328 21.687 552 HB2 ASN 74 HB2 ASN 74 13.489 12.433 20.116 553 HB3 ASN 74 HB3 ASN 74 12.665 13.282 18.811 554 HD21 ASN 74 HD21 ASN 74 14.470 14.536 18.411 555 HD22 ASN 74 HD22 ASN 74 14.952 15.830 19.456 556 H LEU 75 H LEU 75 9.018 13.055 20.755 557 HA LEU 75 HA LEU 75 8.270 14.868 18.760 558 HB2 LEU 75 HB2 LEU 75 6.964 13.114 20.445 559 HB3 LEU 75 HB3 LEU 75 6.370 14.675 20.973 560 HG LEU 75 HG LEU 75 6.152 13.508 18.196 561 HD11 LEU 75 HD11 LEU 75 3.752 13.603 18.623 562 HD12 LEU 75 HD12 LEU 75 4.065 14.192 20.257 563 HD13 LEU 75 HD13 LEU 75 4.581 12.571 19.788 564 HD21 LEU 75 HD21 LEU 75 5.247 16.206 19.197 565 HD22 LEU 75 HD22 LEU 75 4.872 15.512 17.619 566 HD23 LEU 75 HD23 LEU 75 6.540 15.907 18.036 567 H LYS 76 H LYS 76 9.199 15.415 22.062 568 HA LYS 76 HA LYS 76 7.938 17.961 22.309 569 HB2 LYS 76 HB2 LYS 76 9.516 18.172 24.329 570 HB3 LYS 76 HB3 LYS 76 8.263 16.946 24.364 571 HG2 LYS 76 HG2 LYS 76 10.233 15.986 25.247 572 HG3 LYS 76 HG3 LYS 76 9.986 15.279 23.659 573 HD2 LYS 76 HD2 LYS 76 11.710 16.630 22.714 574 HD3 LYS 76 HD3 LYS 76 11.836 17.597 24.186 575 HE2 LYS 76 HE2 LYS 76 12.671 15.694 25.410 576 HE3 LYS 76 HE3 LYS 76 12.423 14.647 24.015 577 HZ1 LYS 76 HZ1 LYS 76 14.260 16.980 24.001 578 HZ2 LYS 76 HZ2 LYS 76 14.129 15.759 22.828 579 HZ3 LYS 76 HZ3 LYS 76 14.755 15.397 24.360 580 H ALA 77 H ALA 77 10.680 16.973 20.658 581 HA ALA 77 HA ALA 77 12.041 19.534 20.850 582 HB1 ALA 77 HB1 ALA 77 12.633 17.193 19.046 583 HB2 ALA 77 HB2 ALA 77 13.335 17.449 20.641 584 HB3 ALA 77 HB3 ALA 77 13.674 18.585 19.336 585 H ALA 78 H ALA 78 9.388 18.412 19.217 586 HA ALA 78 HA ALA 78 9.789 19.607 16.642 587 HB1 ALA 78 HB1 ALA 78 7.227 18.829 18.059 588 HB2 ALA 78 HB2 ALA 78 8.176 17.790 16.997 589 HB3 ALA 78 HB3 ALA 78 7.383 19.225 16.346 590 H LYS 79 H LYS 79 7.692 21.129 16.106 591 HA LYS 79 HA LYS 79 7.256 23.271 17.913 592 HB2 LYS 79 HB2 LYS 79 8.477 24.953 16.437 593 HB3 LYS 79 HB3 LYS 79 9.437 23.985 17.543 594 HG2 LYS 79 HG2 LYS 79 9.858 22.422 15.604 595 HG3 LYS 79 HG3 LYS 79 9.153 23.673 14.575 596 HD2 LYS 79 HD2 LYS 79 11.511 23.961 14.564 597 HD3 LYS 79 HD3 LYS 79 10.802 25.265 15.516 598 HE2 LYS 79 HE2 LYS 79 12.768 24.441 16.639 599 HE3 LYS 79 HE3 LYS 79 11.337 24.014 17.574 600 HZ1 LYS 79 HZ1 LYS 79 12.753 22.178 15.714 601 HZ2 LYS 79 HZ2 LYS 79 11.457 21.776 16.719 602 HZ3 LYS 79 HZ3 LYS 79 12.954 22.191 17.397 603 H LYS 80 H LYS 80 6.514 25.277 16.419 604 HA LYS 80 HA LYS 80 4.106 24.471 15.324 605 HB2 LYS 80 HB2 LYS 80 4.035 26.777 14.281 606 HB3 LYS 80 HB3 LYS 80 4.259 26.711 16.022 607 HG2 LYS 80 HG2 LYS 80 6.614 27.173 15.779 608 HG3 LYS 80 HG3 LYS 80 6.473 27.109 14.021 609 HD2 LYS 80 HD2 LYS 80 6.530 29.421 14.881 610 HD3 LYS 80 HD3 LYS 80 5.032 29.051 14.027 611 HE2 LYS 80 HE2 LYS 80 3.893 28.696 16.157 612 HE3 LYS 80 HE3 LYS 80 5.392 29.030 17.024 613 HZ1 LYS 80 HZ1 LYS 80 5.356 31.274 16.302 614 HZ2 LYS 80 HZ2 LYS 80 3.800 30.930 16.888 615 HZ3 LYS 80 HZ3 LYS 80 4.085 30.987 15.218 616 H GLY 81 H GLY 81 7.073 25.364 13.522 617 HA2 GLY 81 HA2 GLY 81 5.774 24.171 11.153 618 HA3 GLY 81 HA3 GLY 81 7.135 25.295 11.103 619 H SER 82 H SER 82 6.415 22.257 12.768 620 HA SER 82 HA SER 82 9.113 21.355 12.660 621 HB2 SER 82 HB2 SER 82 7.265 20.827 14.394 622 HB3 SER 82 HB3 SER 82 6.720 19.618 13.237 623 HG SER 82 HG SER 82 9.297 19.773 14.439 624 H MET 83 H MET 83 6.673 21.385 10.383 625 HA MET 83 HA MET 83 6.167 20.300 8.465 626 HB2 MET 83 HB2 MET 83 9.148 20.026 8.594 627 HB3 MET 83 HB3 MET 83 8.243 19.323 7.261 628 HG2 MET 83 HG2 MET 83 7.622 22.127 7.888 629 HG3 MET 83 HG3 MET 83 9.238 21.819 7.268 630 HE1 MET 83 HE1 MET 83 5.324 21.743 6.368 631 HE2 MET 83 HE2 MET 83 5.816 20.060 6.574 632 HE3 MET 83 HE3 MET 83 5.385 20.661 4.971 633 H VAL 84 H VAL 84 4.862 18.769 9.473 634 HA VAL 84 HA VAL 84 5.955 16.159 10.086 635 HB VAL 84 HB VAL 84 3.089 17.119 10.006 636 HG11 VAL 84 HG11 VAL 84 2.572 15.127 11.308 637 HG12 VAL 84 HG12 VAL 84 4.256 14.616 11.209 638 HG13 VAL 84 HG13 VAL 84 3.273 14.696 9.747 639 HG21 VAL 84 HG21 VAL 84 3.255 17.236 12.435 640 HG22 VAL 84 HG22 VAL 84 4.424 18.307 11.667 641 HG23 VAL 84 HG23 VAL 84 4.953 16.769 12.347 642 H TYR 85 H TYR 85 6.463 14.862 8.418 643 HA TYR 85 HA TYR 85 4.856 15.019 5.971 644 HB2 TYR 85 HB2 TYR 85 7.516 13.671 6.479 645 HB3 TYR 85 HB3 TYR 85 6.682 13.716 4.930 646 HD1 TYR 85 HD1 TYR 85 6.138 16.108 4.015 647 HD2 TYR 85 HD2 TYR 85 9.086 15.292 6.970 648 HE1 TYR 85 HE1 TYR 85 7.251 18.232 3.479 649 HE2 TYR 85 HE2 TYR 85 10.212 17.413 6.441 650 HH TYR 85 HH TYR 85 8.762 19.841 4.566 651 H PHE 86 H PHE 86 3.222 13.668 5.861 652 HA PHE 86 HA PHE 86 3.432 11.071 7.215 653 HB2 PHE 86 HB2 PHE 86 1.485 12.714 7.630 654 HB3 PHE 86 HB3 PHE 86 0.921 12.248 6.031 655 HD1 PHE 86 HD1 PHE 86 -1.145 11.317 6.815 656 HD2 PHE 86 HD2 PHE 86 2.582 9.887 8.292 657 HE1 PHE 86 HE1 PHE 86 -2.287 9.376 7.806 658 HE2 PHE 86 HE2 PHE 86 1.446 7.942 9.280 659 HZ PHE 86 HZ PHE 86 -0.991 7.684 9.040 660 H LYS 87 H LYS 87 4.226 9.562 5.935 661 HA LYS 87 HA LYS 87 3.818 9.659 3.051 662 HB2 LYS 87 HB2 LYS 87 5.640 8.217 4.903 663 HB3 LYS 87 HB3 LYS 87 5.249 7.419 3.389 664 HG2 LYS 87 HG2 LYS 87 7.325 8.660 3.233 665 HG3 LYS 87 HG3 LYS 87 6.103 9.323 2.150 666 HD2 LYS 87 HD2 LYS 87 5.721 11.180 3.596 667 HD3 LYS 87 HD3 LYS 87 6.691 10.451 4.879 668 HE2 LYS 87 HE2 LYS 87 7.858 12.264 3.637 669 HE3 LYS 87 HE3 LYS 87 8.700 10.717 3.606 670 HZ1 LYS 87 HZ1 LYS 87 7.894 10.323 1.389 671 HZ2 LYS 87 HZ2 LYS 87 8.664 11.835 1.436 672 HZ3 LYS 87 HZ3 LYS 87 6.971 11.746 1.415 673 H VAL 88 H VAL 88 1.666 9.076 2.765 674 HA VAL 88 HA VAL 88 0.928 6.405 3.739 675 HB VAL 88 HB VAL 88 -1.426 7.088 3.031 676 HG11 VAL 88 HG11 VAL 88 -1.805 8.276 5.117 677 HG12 VAL 88 HG12 VAL 88 -0.081 8.622 5.244 678 HG13 VAL 88 HG13 VAL 88 -0.657 6.959 5.349 679 HG21 VAL 88 HG21 VAL 88 -0.148 9.821 3.046 680 HG22 VAL 88 HG22 VAL 88 -1.880 9.494 2.972 681 HG23 VAL 88 HG23 VAL 88 -0.831 9.004 1.641 682 H GLY 89 H GLY 89 1.057 4.797 2.382 683 HA2 GLY 89 HA2 GLY 89 1.089 3.586 0.428 684 HA3 GLY 89 HA3 GLY 89 0.180 4.896 -0.317 685 H ASN 90 H ASN 90 1.327 6.683 -1.181 686 HA ASN 90 HA ASN 90 4.213 6.571 -1.301 687 HB2 ASN 90 HB2 ASN 90 4.269 6.670 -3.786 688 HB3 ASN 90 HB3 ASN 90 3.705 5.128 -3.160 689 HD21 ASN 90 HD21 ASN 90 1.626 4.487 -3.534 690 HD22 ASN 90 HD22 ASN 90 0.568 5.306 -4.625 691 H GLU 91 H GLU 91 1.708 8.320 -0.617 692 HA GLU 91 HA GLU 91 2.608 10.698 -2.102 693 HB2 GLU 91 HB2 GLU 91 0.420 11.697 -1.644 694 HB3 GLU 91 HB3 GLU 91 0.258 10.178 -2.510 695 HG2 GLU 91 HG2 GLU 91 -0.321 9.051 -0.420 696 HG3 GLU 91 HG3 GLU 91 -0.173 10.582 0.440 697 H THR 92 H THR 92 3.187 12.526 -1.018 698 HA THR 92 HA THR 92 3.727 12.125 1.827 699 HB THR 92 HB THR 92 4.929 14.154 -0.067 700 HG1 THR 92 HG1 THR 92 5.618 12.074 -0.614 701 HG21 THR 92 HG21 THR 92 5.733 13.350 2.737 702 HG22 THR 92 HG22 THR 92 4.945 14.865 2.292 703 HG23 THR 92 HG23 THR 92 6.571 14.513 1.708 704 H ARG 93 H ARG 93 2.157 12.896 3.059 705 HA ARG 93 HA ARG 93 0.829 15.408 2.433 706 HB2 ARG 93 HB2 ARG 93 0.576 13.584 4.834 707 HB3 ARG 93 HB3 ARG 93 -0.456 14.961 4.487 708 HG2 ARG 93 HG2 ARG 93 -0.209 12.585 2.670 709 HG3 ARG 93 HG3 ARG 93 -1.417 12.714 3.949 710 HD2 ARG 93 HD2 ARG 93 -2.188 14.844 2.881 711 HD3 ARG 93 HD3 ARG 93 -1.091 14.497 1.542 712 HE ARG 93 HE ARG 93 -2.397 12.520 1.059 713 HH11 ARG 93 HH11 ARG 93 -3.863 14.906 3.196 714 HH12 ARG 93 HH12 ARG 93 -5.461 14.246 3.017 715 HH21 ARG 93 HH21 ARG 93 -4.486 11.675 0.830 716 HH22 ARG 93 HH22 ARG 93 -5.821 12.402 1.667 717 H LYS 94 H LYS 94 1.160 17.332 3.556 718 HA LYS 94 HA LYS 94 3.301 17.275 5.578 719 HB2 LYS 94 HB2 LYS 94 3.903 19.576 4.948 720 HB3 LYS 94 HB3 LYS 94 4.149 18.454 3.629 721 HG2 LYS 94 HG2 LYS 94 1.667 20.122 3.851 722 HG3 LYS 94 HG3 LYS 94 3.138 20.736 3.104 723 HD2 LYS 94 HD2 LYS 94 3.081 18.915 1.478 724 HD3 LYS 94 HD3 LYS 94 1.625 18.272 2.243 725 HE2 LYS 94 HE2 LYS 94 1.070 19.568 0.250 726 HE3 LYS 94 HE3 LYS 94 0.426 20.328 1.705 727 HZ1 LYS 94 HZ1 LYS 94 1.378 22.016 0.358 728 HZ2 LYS 94 HZ2 LYS 94 2.823 21.150 0.160 729 HZ3 LYS 94 HZ3 LYS 94 2.422 21.795 1.677 730 H TYR 95 H TYR 95 2.866 18.087 7.512 731 HA TYR 95 HA TYR 95 0.403 19.667 7.836 732 HB2 TYR 95 HB2 TYR 95 1.373 17.441 9.646 733 HB3 TYR 95 HB3 TYR 95 -0.027 18.462 9.951 734 HD1 TYR 95 HD1 TYR 95 -2.109 18.056 8.860 735 HD2 TYR 95 HD2 TYR 95 1.331 15.807 7.782 736 HE1 TYR 95 HE1 TYR 95 -3.527 16.512 7.577 737 HE2 TYR 95 HE2 TYR 95 -0.076 14.257 6.500 738 HH TYR 95 HH TYR 95 -3.223 14.950 5.622 739 H LYS 96 H LYS 96 0.437 21.286 9.351 740 HA LYS 96 HA LYS 96 3.088 21.958 10.444 741 HB2 LYS 96 HB2 LYS 96 1.218 23.482 8.981 742 HB3 LYS 96 HB3 LYS 96 1.167 24.106 10.619 743 HG2 LYS 96 HG2 LYS 96 2.741 25.372 9.331 744 HG3 LYS 96 HG3 LYS 96 3.615 24.427 10.538 745 HD2 LYS 96 HD2 LYS 96 4.173 22.769 8.831 746 HD3 LYS 96 HD3 LYS 96 3.285 23.701 7.627 747 HE2 LYS 96 HE2 LYS 96 5.673 24.712 9.163 748 HE3 LYS 96 HE3 LYS 96 5.739 24.030 7.541 749 HZ1 LYS 96 HZ1 LYS 96 4.483 25.813 6.687 750 HZ2 LYS 96 HZ2 LYS 96 5.686 26.506 7.662 751 HZ3 LYS 96 HZ3 LYS 96 4.091 26.399 8.232 752 H MET 97 H MET 97 3.328 22.359 12.628 753 HA MET 97 HA MET 97 1.215 21.247 14.291 754 HB2 MET 97 HB2 MET 97 4.056 22.081 14.853 755 HB3 MET 97 HB3 MET 97 2.942 21.644 16.139 756 HG2 MET 97 HG2 MET 97 3.697 19.842 13.855 757 HG3 MET 97 HG3 MET 97 4.451 19.816 15.449 758 HE1 MET 97 HE1 MET 97 3.332 17.191 14.285 759 HE2 MET 97 HE2 MET 97 2.373 16.547 15.622 760 HE3 MET 97 HE3 MET 97 3.938 17.310 15.936 761 H THR 98 H THR 98 -0.311 22.925 14.041 762 HA THR 98 HA THR 98 0.456 25.556 15.016 763 HB THR 98 HB THR 98 -0.782 25.750 13.044 764 HG1 THR 98 HG1 THR 98 -1.553 27.193 14.623 765 HG21 THR 98 HG21 THR 98 -2.804 23.843 14.213 766 HG22 THR 98 HG22 THR 98 -1.659 23.496 12.915 767 HG23 THR 98 HG23 THR 98 -2.954 24.667 12.660 768 H SER 99 H SER 99 -1.661 22.870 15.935 769 HA SER 99 HA SER 99 -2.335 24.367 18.376 770 HB2 SER 99 HB2 SER 99 -3.749 21.916 17.332 771 HB3 SER 99 HB3 SER 99 -4.305 23.028 18.576 772 HG SER 99 HG SER 99 -4.239 24.666 16.829 773 H ILE 100 H ILE 100 -0.669 23.909 19.699 774 HA ILE 100 HA ILE 100 -0.090 21.071 20.268 775 HB ILE 100 HB ILE 100 1.749 23.453 20.607 776 HG12 ILE 100 HG12 ILE 100 1.959 21.168 18.632 777 HG13 ILE 100 HG13 ILE 100 1.375 22.780 18.233 778 HG21 ILE 100 HG21 ILE 100 2.292 20.518 21.015 779 HG22 ILE 100 HG22 ILE 100 2.103 21.719 22.292 780 HG23 ILE 100 HG23 ILE 100 3.465 21.824 21.178 781 HD11 ILE 100 HD11 ILE 100 4.130 22.102 19.236 782 HD12 ILE 100 HD12 ILE 100 3.549 23.718 18.836 783 HD13 ILE 100 HD13 ILE 100 3.696 22.496 17.572 784 H ARG 101 H ARG 101 -0.930 20.468 22.209 785 HA ARG 101 HA ARG 101 -0.316 21.937 24.560 786 HB2 ARG 101 HB2 ARG 101 -2.505 22.641 25.274 787 HB3 ARG 101 HB3 ARG 101 -2.144 23.372 23.723 788 HG2 ARG 101 HG2 ARG 101 -3.703 22.081 22.602 789 HG3 ARG 101 HG3 ARG 101 -3.761 20.864 23.885 790 HD2 ARG 101 HD2 ARG 101 -4.800 23.691 24.017 791 HD3 ARG 101 HD3 ARG 101 -5.757 22.212 23.976 792 HE ARG 101 HE ARG 101 -3.955 22.164 26.156 793 HH11 ARG 101 HH11 ARG 101 -6.968 23.625 25.145 794 HH12 ARG 101 HH12 ARG 101 -7.538 23.861 26.771 795 HH21 ARG 101 HH21 ARG 101 -4.662 22.470 28.262 796 HH22 ARG 101 HH22 ARG 101 -6.223 23.202 28.558 797 H ASP 102 H ASP 102 -2.470 21.089 26.170 798 HA ASP 102 HA ASP 102 -1.980 18.187 26.251 799 HB2 ASP 102 HB2 ASP 102 -2.235 18.316 28.616 800 HB3 ASP 102 HB3 ASP 102 -1.226 19.692 28.171 801 H VAL 103 H VAL 103 -3.684 16.757 26.676 802 HA VAL 103 HA VAL 103 -6.325 17.909 27.212 803 HB VAL 103 HB VAL 103 -7.378 16.013 25.910 804 HG11 VAL 103 HG11 VAL 103 -7.181 17.152 23.743 805 HG12 VAL 103 HG12 VAL 103 -5.810 18.072 24.364 806 HG13 VAL 103 HG13 VAL 103 -7.411 18.287 25.074 807 HG21 VAL 103 HG21 VAL 103 -5.542 14.525 25.622 808 HG22 VAL 103 HG22 VAL 103 -4.578 15.769 24.831 809 HG23 VAL 103 HG23 VAL 103 -6.003 15.112 24.027 810 H LYS 104 H LYS 104 -7.830 16.030 28.078 811 HA LYS 104 HA LYS 104 -6.316 14.285 29.844 812 HB2 LYS 104 HB2 LYS 104 -7.628 15.331 31.839 813 HB3 LYS 104 HB3 LYS 104 -6.145 16.086 31.288 814 HG2 LYS 104 HG2 LYS 104 -8.737 17.019 30.161 815 HG3 LYS 104 HG3 LYS 104 -8.280 17.507 31.795 816 HD2 LYS 104 HD2 LYS 104 -6.231 18.480 30.986 817 HD3 LYS 104 HD3 LYS 104 -6.536 17.865 29.362 818 HE2 LYS 104 HE2 LYS 104 -8.494 19.291 29.173 819 HE3 LYS 104 HE3 LYS 104 -8.251 19.870 30.821 820 HZ1 LYS 104 HZ1 LYS 104 -6.165 20.854 30.159 821 HZ2 LYS 104 HZ2 LYS 104 -7.405 21.425 29.153 822 HZ3 LYS 104 HZ3 LYS 104 -6.330 20.245 28.585 823 HA PRO 105 HA PRO 105 -9.906 11.733 29.704 824 HB2 PRO 105 HB2 PRO 105 -10.158 10.839 32.277 825 HB3 PRO 105 HB3 PRO 105 -8.953 10.233 31.137 826 HG2 PRO 105 HG2 PRO 105 -8.651 12.266 33.313 827 HG3 PRO 105 HG3 PRO 105 -7.557 10.948 32.851 828 HD2 PRO 105 HD2 PRO 105 -7.107 13.497 32.116 829 HD3 PRO 105 HD3 PRO 105 -6.686 12.130 31.066 830 H THR 106 H THR 106 -10.050 14.676 30.988 831 HA THR 106 HA THR 106 -12.918 14.414 31.557 832 HB THR 106 HB THR 106 -11.812 14.834 33.688 833 HG1 THR 106 HG1 THR 106 -13.338 16.904 32.519 834 HG21 THR 106 HG21 THR 106 -10.651 17.282 32.349 835 HG22 THR 106 HG22 THR 106 -9.754 15.866 32.899 836 HG23 THR 106 HG23 THR 106 -10.548 16.915 34.072 837 H ASP 107 H ASP 107 -10.870 15.392 29.291 838 HA ASP 107 HA ASP 107 -11.889 18.070 28.880 839 HB2 ASP 107 HB2 ASP 107 -10.382 18.281 27.088 840 HB3 ASP 107 HB3 ASP 107 -9.510 17.329 28.274 841 H VAL 108 H VAL 108 -12.983 18.678 26.925 842 HA VAL 108 HA VAL 108 -14.713 16.523 25.899 843 HB VAL 108 HB VAL 108 -16.378 18.265 25.381 844 HG11 VAL 108 HG11 VAL 108 -17.063 18.747 27.692 845 HG12 VAL 108 HG12 VAL 108 -15.475 18.233 28.260 846 HG13 VAL 108 HG13 VAL 108 -16.554 17.071 27.488 847 HG21 VAL 108 HG21 VAL 108 -14.496 20.127 26.831 848 HG22 VAL 108 HG22 VAL 108 -16.127 20.522 26.288 849 HG23 VAL 108 HG23 VAL 108 -14.867 20.164 25.107 850 H GLU 109 H GLU 109 -12.029 17.538 25.007 851 HA GLU 109 HA GLU 109 -12.557 18.896 22.489 852 HB2 GLU 109 HB2 GLU 109 -9.898 17.805 23.392 853 HB3 GLU 109 HB3 GLU 109 -10.211 19.152 22.312 854 HG2 GLU 109 HG2 GLU 109 -10.777 19.145 25.265 855 HG3 GLU 109 HG3 GLU 109 -9.342 19.830 24.511 856 H VAL 110 H VAL 110 -11.355 15.794 23.683 857 HA VAL 110 HA VAL 110 -10.703 14.821 21.062 858 HB VAL 110 HB VAL 110 -10.148 12.711 22.167 859 HG11 VAL 110 HG11 VAL 110 -8.353 13.560 23.597 860 HG12 VAL 110 HG12 VAL 110 -9.130 15.143 23.632 861 HG13 VAL 110 HG13 VAL 110 -8.500 14.502 22.113 862 HG21 VAL 110 HG21 VAL 110 -10.320 12.532 24.624 863 HG22 VAL 110 HG22 VAL 110 -11.894 12.608 23.833 864 HG23 VAL 110 HG23 VAL 110 -11.246 14.034 24.646 865 H LEU 111 H LEU 111 -13.612 14.971 22.763 866 HA LEU 111 HA LEU 111 -14.688 12.696 21.249 867 HB2 LEU 111 HB2 LEU 111 -16.729 13.033 22.770 868 HB3 LEU 111 HB3 LEU 111 -15.296 12.273 23.431 869 HG LEU 111 HG LEU 111 -15.690 15.217 23.805 870 HD11 LEU 111 HD11 LEU 111 -16.922 14.766 25.865 871 HD12 LEU 111 HD12 LEU 111 -16.965 13.047 25.471 872 HD13 LEU 111 HD13 LEU 111 -17.821 14.207 24.453 873 HD21 LEU 111 HD21 LEU 111 -14.436 13.026 25.458 874 HD22 LEU 111 HD22 LEU 111 -14.461 14.739 25.869 875 HD23 LEU 111 HD23 LEU 111 -13.575 14.186 24.447 876 H ASP 112 H ASP 112 -14.215 15.722 20.594 877 HA ASP 112 HA ASP 112 -16.906 16.277 19.574 878 HB2 ASP 112 HB2 ASP 112 -15.270 18.042 20.694 879 HB3 ASP 112 HB3 ASP 112 -14.602 18.111 19.067 880 H GLU 113 H GLU 113 -16.863 17.245 17.296 881 HA GLU 113 HA GLU 113 -15.686 15.182 15.603 882 HB2 GLU 113 HB2 GLU 113 -17.284 16.058 13.912 883 HB3 GLU 113 HB3 GLU 113 -18.065 15.523 15.396 884 HG2 GLU 113 HG2 GLU 113 -17.947 17.967 16.125 885 HG3 GLU 113 HG3 GLU 113 -17.584 18.315 14.435 886 H GLN 114 H GLN 114 -14.207 17.517 16.712 887 HA GLN 114 HA GLN 114 -12.852 19.214 16.256 888 HB2 GLN 114 HB2 GLN 114 -12.450 17.666 13.715 889 HB3 GLN 114 HB3 GLN 114 -11.323 18.766 14.491 890 HG2 GLN 114 HG2 GLN 114 -12.332 16.201 15.661 891 HG3 GLN 114 HG3 GLN 114 -10.756 16.455 14.950 892 HE21 GLN 114 HE21 GLN 114 -12.701 16.810 17.726 893 HE22 GLN 114 HE22 GLN 114 -11.500 17.487 18.765 894 H LYS 115 H LYS 115 -13.152 21.242 15.782 895 HA LYS 115 HA LYS 115 -15.072 21.854 13.643 896 HB2 LYS 115 HB2 LYS 115 -14.496 23.339 16.200 897 HB3 LYS 115 HB3 LYS 115 -15.610 23.882 14.952 898 HG2 LYS 115 HG2 LYS 115 -15.894 21.240 16.339 899 HG3 LYS 115 HG3 LYS 115 -16.615 22.732 16.926 900 HD2 LYS 115 HD2 LYS 115 -18.010 22.938 15.050 901 HD3 LYS 115 HD3 LYS 115 -17.080 21.748 14.138 902 HE2 LYS 115 HE2 LYS 115 -19.359 21.054 15.140 903 HE3 LYS 115 HE3 LYS 115 -17.987 19.961 15.289 904 HZ1 LYS 115 HZ1 LYS 115 -18.753 21.869 17.430 905 HZ2 LYS 115 HZ2 LYS 115 -17.693 20.543 17.537 906 HZ3 LYS 115 HZ3 LYS 115 -19.352 20.287 17.346 907 H GLY 116 H GLY 116 -14.830 23.529 12.350 908 HA2 GLY 116 HA2 GLY 116 -13.724 24.966 10.938 909 HA3 GLY 116 HA3 GLY 116 -13.180 25.701 12.431 910 H LYS 117 H LYS 117 -12.172 22.477 11.335 911 HA LYS 117 HA LYS 117 -9.509 23.625 10.834 912 HB2 LYS 117 HB2 LYS 117 -10.305 21.090 12.241 913 HB3 LYS 117 HB3 LYS 117 -8.679 21.339 11.618 914 HG2 LYS 117 HG2 LYS 117 -9.828 23.455 13.343 915 HG3 LYS 117 HG3 LYS 117 -9.348 21.938 14.097 916 HD2 LYS 117 HD2 LYS 117 -7.105 22.164 13.252 917 HD3 LYS 117 HD3 LYS 117 -7.564 23.569 12.291 918 HE2 LYS 117 HE2 LYS 117 -6.334 24.177 14.339 919 HE3 LYS 117 HE3 LYS 117 -7.959 24.860 14.300 920 HZ1 LYS 117 HZ1 LYS 117 -8.707 23.335 15.888 921 HZ2 LYS 117 HZ2 LYS 117 -7.197 23.834 16.468 922 HZ3 LYS 117 HZ3 LYS 117 -7.358 22.326 15.709 923 H ASP 118 H ASP 118 -8.125 22.375 9.422 924 HA ASP 118 HA ASP 118 -9.578 21.230 7.162 925 HB2 ASP 118 HB2 ASP 118 -7.650 23.049 7.113 926 HB3 ASP 118 HB3 ASP 118 -6.600 21.643 7.233 927 H LYS 119 H LYS 119 -7.368 19.592 6.222 928 HA LYS 119 HA LYS 119 -7.842 17.188 7.629 929 HB2 LYS 119 HB2 LYS 119 -5.942 18.052 5.499 930 HB3 LYS 119 HB3 LYS 119 -5.575 16.569 6.364 931 HG2 LYS 119 HG2 LYS 119 -6.776 16.111 4.311 932 HG3 LYS 119 HG3 LYS 119 -7.732 15.642 5.714 933 HD2 LYS 119 HD2 LYS 119 -9.382 16.762 4.686 934 HD3 LYS 119 HD3 LYS 119 -8.575 18.192 5.329 935 HE2 LYS 119 HE2 LYS 119 -8.058 16.996 2.608 936 HE3 LYS 119 HE3 LYS 119 -9.135 18.354 2.915 937 HZ1 LYS 119 HZ1 LYS 119 -6.192 18.275 3.319 938 HZ2 LYS 119 HZ2 LYS 119 -7.184 19.548 3.846 939 HZ3 LYS 119 HZ3 LYS 119 -7.059 19.200 2.191 940 H GLN 120 H GLN 120 -7.215 16.819 9.659 941 HA GLN 120 HA GLN 120 -4.651 18.015 10.503 942 HB2 GLN 120 HB2 GLN 120 -5.537 18.343 12.695 943 HB3 GLN 120 HB3 GLN 120 -6.703 18.992 11.551 944 HG2 GLN 120 HG2 GLN 120 -8.080 17.008 11.793 945 HG3 GLN 120 HG3 GLN 120 -6.891 16.298 12.883 946 HE21 GLN 120 HE21 GLN 120 -8.181 16.138 14.641 947 HE22 GLN 120 HE22 GLN 120 -8.821 17.500 15.495 948 H LEU 121 H LEU 121 -3.147 16.792 11.439 949 HA LEU 121 HA LEU 121 -3.781 13.996 12.052 950 HB2 LEU 121 HB2 LEU 121 -1.165 15.480 11.814 951 HB3 LEU 121 HB3 LEU 121 -1.272 13.867 12.488 952 HG LEU 121 HG LEU 121 -1.874 14.709 9.660 953 HD11 LEU 121 HD11 LEU 121 0.148 12.831 10.877 954 HD12 LEU 121 HD12 LEU 121 0.476 14.413 10.168 955 HD13 LEU 121 HD13 LEU 121 -0.094 13.090 9.149 956 HD21 LEU 121 HD21 LEU 121 -2.440 12.363 9.242 957 HD22 LEU 121 HD22 LEU 121 -3.561 13.109 10.380 958 HD23 LEU 121 HD23 LEU 121 -2.301 12.025 10.967 959 H THR 122 H THR 122 -4.493 13.646 14.030 960 HA THR 122 HA THR 122 -3.745 15.502 16.162 961 HB THR 122 HB THR 122 -5.783 13.272 16.274 962 HG1 THR 122 HG1 THR 122 -5.879 15.363 14.734 963 HG21 THR 122 HG21 THR 122 -6.729 14.622 18.101 964 HG22 THR 122 HG22 THR 122 -5.418 15.790 17.912 965 HG23 THR 122 HG23 THR 122 -5.065 14.146 18.446 966 H LEU 123 H LEU 123 -1.823 14.930 17.024 967 HA LEU 123 HA LEU 123 -1.213 12.110 17.443 968 HB2 LEU 123 HB2 LEU 123 0.483 14.512 18.135 969 HB3 LEU 123 HB3 LEU 123 1.004 12.842 18.070 970 HG LEU 123 HG LEU 123 0.346 14.674 15.774 971 HD11 LEU 123 HD11 LEU 123 2.593 14.810 16.658 972 HD12 LEU 123 HD12 LEU 123 2.605 14.061 15.062 973 HD13 LEU 123 HD13 LEU 123 2.784 13.062 16.506 974 HD21 LEU 123 HD21 LEU 123 -0.737 12.530 15.317 975 HD22 LEU 123 HD22 LEU 123 0.772 11.684 15.661 976 HD23 LEU 123 HD23 LEU 123 0.664 12.766 14.272 977 H ILE 124 H ILE 124 -2.197 11.268 19.196 978 HA ILE 124 HA ILE 124 -2.277 12.889 21.645 979 HB ILE 124 HB ILE 124 -3.700 10.262 21.186 980 HG12 ILE 124 HG12 ILE 124 -5.714 12.039 21.210 981 HG13 ILE 124 HG13 ILE 124 -4.468 13.050 20.482 982 HG21 ILE 124 HG21 ILE 124 -5.022 10.933 23.130 983 HG22 ILE 124 HG22 ILE 124 -4.071 12.411 23.271 984 HG23 ILE 124 HG23 ILE 124 -3.306 10.843 23.522 985 HD11 ILE 124 HD11 ILE 124 -4.155 11.392 18.722 986 HD12 ILE 124 HD12 ILE 124 -5.820 11.966 18.790 987 HD13 ILE 124 HD13 ILE 124 -5.405 10.385 19.449 988 H THR 125 H THR 125 -0.366 12.652 22.609 989 HA THR 125 HA THR 125 0.912 10.033 22.726 990 HB THR 125 HB THR 125 1.942 12.609 23.918 991 HG1 THR 125 HG1 THR 125 1.385 12.575 21.526 992 HG21 THR 125 HG21 THR 125 4.128 11.537 23.564 993 HG22 THR 125 HG22 THR 125 3.315 10.107 22.927 994 HG23 THR 125 HG23 THR 125 3.091 10.571 24.613 995 H CYS 126 H CYS 126 0.109 8.738 24.249 996 HA CYS 126 HA CYS 126 -0.592 9.901 26.851 997 HB2 CYS 126 HB2 CYS 126 -1.316 7.177 25.745 998 HB3 CYS 126 HB3 CYS 126 -1.906 7.883 27.245 999 H ASP 127 H ASP 127 1.576 10.057 27.577 1000 HA ASP 127 HA ASP 127 2.816 7.454 28.157 1001 HB2 ASP 127 HB2 ASP 127 4.944 8.686 28.453 1002 HB3 ASP 127 HB3 ASP 127 4.282 8.855 26.833 1003 H ASP 128 H ASP 128 0.948 9.715 29.562 1004 HA ASP 128 HA ASP 128 2.153 9.372 32.206 1005 HB2 ASP 128 HB2 ASP 128 1.701 11.709 31.583 1006 HB3 ASP 128 HB3 ASP 128 0.001 11.314 31.335 1007 H TYR 129 H TYR 129 1.487 7.400 32.728 1008 HA TYR 129 HA TYR 129 -1.370 6.769 32.617 1009 HB2 TYR 129 HB2 TYR 129 0.097 5.123 31.602 1010 HB3 TYR 129 HB3 TYR 129 1.049 5.012 33.078 1011 HD1 TYR 129 HD1 TYR 129 -2.362 4.394 31.721 1012 HD2 TYR 129 HD2 TYR 129 0.501 3.443 34.720 1013 HE1 TYR 129 HE1 TYR 129 -3.794 2.550 32.500 1014 HE2 TYR 129 HE2 TYR 129 -0.919 1.602 35.503 1015 HH TYR 129 HH TYR 129 -3.202 0.889 35.452 1016 H ASN 130 H ASN 130 -2.561 6.980 34.378 1017 HA ASN 130 HA ASN 130 -1.294 7.004 37.009 1018 HB2 ASN 130 HB2 ASN 130 -3.053 8.695 36.465 1019 HB3 ASN 130 HB3 ASN 130 -4.217 7.385 36.292 1020 HD21 ASN 130 HD21 ASN 130 -4.180 9.662 38.157 1021 HD22 ASN 130 HD22 ASN 130 -4.227 8.956 39.745 1022 H GLU 131 H GLU 131 -0.925 5.151 37.915 1023 HA GLU 131 HA GLU 131 -2.027 2.714 36.956 1024 HB2 GLU 131 HB2 GLU 131 -0.416 3.124 39.470 1025 HB3 GLU 131 HB3 GLU 131 -0.535 1.665 38.496 1026 HG2 GLU 131 HG2 GLU 131 0.663 2.728 36.693 1027 HG3 GLU 131 HG3 GLU 131 0.710 4.248 37.587 1028 H LYS 132 H LYS 132 -2.985 4.911 39.426 1029 HA LYS 132 HA LYS 132 -4.048 3.033 41.268 1030 HB2 LYS 132 HB2 LYS 132 -4.322 6.006 40.925 1031 HB3 LYS 132 HB3 LYS 132 -5.150 5.129 42.190 1032 HG2 LYS 132 HG2 LYS 132 -2.175 5.250 41.794 1033 HG3 LYS 132 HG3 LYS 132 -3.097 6.123 43.019 1034 HD2 LYS 132 HD2 LYS 132 -3.825 3.978 43.975 1035 HD3 LYS 132 HD3 LYS 132 -2.866 3.125 42.764 1036 HE2 LYS 132 HE2 LYS 132 -1.806 5.007 44.867 1037 HE3 LYS 132 HE3 LYS 132 -1.686 3.248 44.894 1038 HZ1 LYS 132 HZ1 LYS 132 -0.426 3.435 42.760 1039 HZ2 LYS 132 HZ2 LYS 132 0.365 4.087 44.105 1040 HZ3 LYS 132 HZ3 LYS 132 -0.384 5.118 42.988 1041 H THR 133 H THR 133 -5.292 4.553 38.414 1042 HA THR 133 HA THR 133 -7.859 3.243 38.923 1043 HB THR 133 HB THR 133 -8.212 5.563 39.520 1044 HG1 THR 133 HG1 THR 133 -9.403 4.595 37.147 1045 HG21 THR 133 HG21 THR 133 -7.962 7.352 37.849 1046 HG22 THR 133 HG22 THR 133 -7.224 6.190 36.745 1047 HG23 THR 133 HG23 THR 133 -6.425 6.593 38.265 1048 H GLY 134 H GLY 134 -5.274 3.389 36.995 1049 HA2 GLY 134 HA2 GLY 134 -4.832 2.542 34.916 1050 HA3 GLY 134 HA3 GLY 134 -6.439 1.840 34.970 1051 H VAL 135 H VAL 135 -5.313 5.221 34.857 1052 HA VAL 135 HA VAL 135 -6.631 5.484 32.255 1053 HB VAL 135 HB VAL 135 -8.148 6.239 34.186 1054 HG11 VAL 135 HG11 VAL 135 -7.779 8.504 35.024 1055 HG12 VAL 135 HG12 VAL 135 -6.225 8.559 34.189 1056 HG13 VAL 135 HG13 VAL 135 -6.480 7.412 35.506 1057 HG21 VAL 135 HG21 VAL 135 -8.634 6.788 31.893 1058 HG22 VAL 135 HG22 VAL 135 -7.492 8.131 31.938 1059 HG23 VAL 135 HG23 VAL 135 -8.959 8.190 32.913 1060 H TRP 136 H TRP 136 -5.945 7.413 31.087 1061 HA TRP 136 HA TRP 136 -3.196 8.147 31.777 1062 HB2 TRP 136 HB2 TRP 136 -4.653 8.596 29.161 1063 HB3 TRP 136 HB3 TRP 136 -2.920 8.721 29.452 1064 HD1 TRP 136 HD1 TRP 136 -5.706 6.118 29.052 1065 HE1 TRP 136 HE1 TRP 136 -4.644 3.826 28.561 1066 HE3 TRP 136 HE3 TRP 136 -0.789 7.357 29.712 1067 HZ2 TRP 136 HZ2 TRP 136 -2.062 2.704 28.447 1068 HZ3 TRP 136 HZ3 TRP 136 0.914 5.609 29.393 1069 HH2 TRP 136 HH2 TRP 136 0.291 3.332 28.775 1070 H GLU 137 H GLU 137 -2.971 10.014 32.813 1071 HA GLU 137 HA GLU 137 -5.170 11.875 32.924 1072 HB2 GLU 137 HB2 GLU 137 -2.437 12.036 34.195 1073 HB3 GLU 137 HB3 GLU 137 -3.822 13.049 34.589 1074 HG2 GLU 137 HG2 GLU 137 -5.039 10.988 35.289 1075 HG3 GLU 137 HG3 GLU 137 -3.538 10.092 35.056 1076 H LYS 138 H LYS 138 -1.697 12.246 32.205 1077 HA LYS 138 HA LYS 138 -2.278 14.694 30.742 1078 HB2 LYS 138 HB2 LYS 138 0.359 13.309 31.226 1079 HB3 LYS 138 HB3 LYS 138 0.152 14.906 30.526 1080 HG2 LYS 138 HG2 LYS 138 -0.665 14.130 33.316 1081 HG3 LYS 138 HG3 LYS 138 0.829 14.968 32.888 1082 HD2 LYS 138 HD2 LYS 138 -0.426 16.838 32.018 1083 HD3 LYS 138 HD3 LYS 138 -1.946 15.987 32.302 1084 HE2 LYS 138 HE2 LYS 138 0.023 16.785 34.441 1085 HE3 LYS 138 HE3 LYS 138 -1.445 17.674 34.034 1086 HZ1 LYS 138 HZ1 LYS 138 -1.323 14.886 35.065 1087 HZ2 LYS 138 HZ2 LYS 138 -2.740 15.716 34.641 1088 HZ3 LYS 138 HZ3 LYS 138 -1.799 16.257 35.940 1089 H ARG 139 H ARG 139 -3.233 14.207 28.866 1090 HA ARG 139 HA ARG 139 -1.837 12.377 27.052 1091 HB2 ARG 139 HB2 ARG 139 -4.556 13.672 26.852 1092 HB3 ARG 139 HB3 ARG 139 -3.828 12.735 25.556 1093 HG2 ARG 139 HG2 ARG 139 -4.828 10.967 26.432 1094 HG3 ARG 139 HG3 ARG 139 -3.676 11.075 27.764 1095 HD2 ARG 139 HD2 ARG 139 -5.970 10.961 28.585 1096 HD3 ARG 139 HD3 ARG 139 -5.218 12.501 28.997 1097 HE ARG 139 HE ARG 139 -6.617 13.581 27.447 1098 HH11 ARG 139 HH11 ARG 139 -7.200 10.144 27.593 1099 HH12 ARG 139 HH12 ARG 139 -8.765 10.226 26.852 1100 HH21 ARG 139 HH21 ARG 139 -8.717 13.752 26.532 1101 HH22 ARG 139 HH22 ARG 139 -9.635 12.301 26.264 1102 H LYS 140 H LYS 140 -0.215 13.375 26.090 1103 HA LYS 140 HA LYS 140 -0.245 16.207 25.604 1104 HB2 LYS 140 HB2 LYS 140 1.812 14.883 26.189 1105 HB3 LYS 140 HB3 LYS 140 1.728 14.154 24.591 1106 HG2 LYS 140 HG2 LYS 140 3.335 15.986 24.679 1107 HG3 LYS 140 HG3 LYS 140 2.022 16.327 23.558 1108 HD2 LYS 140 HD2 LYS 140 1.044 17.888 24.996 1109 HD3 LYS 140 HD3 LYS 140 1.931 17.282 26.399 1110 HE2 LYS 140 HE2 LYS 140 3.246 18.595 24.032 1111 HE3 LYS 140 HE3 LYS 140 2.746 19.473 25.475 1112 HZ1 LYS 140 HZ1 LYS 140 4.676 17.206 25.425 1113 HZ2 LYS 140 HZ2 LYS 140 4.210 18.079 26.799 1114 HZ3 LYS 140 HZ3 LYS 140 5.089 18.847 25.563 1115 H ILE 141 H ILE 141 -1.039 17.185 23.841 1116 HA ILE 141 HA ILE 141 -1.657 15.424 21.571 1117 HB ILE 141 HB ILE 141 -3.688 15.973 22.845 1118 HG12 ILE 141 HG12 ILE 141 -3.584 17.254 20.104 1119 HG13 ILE 141 HG13 ILE 141 -3.798 15.536 20.422 1120 HG21 ILE 141 HG21 ILE 141 -3.091 18.149 23.708 1121 HG22 ILE 141 HG22 ILE 141 -4.596 18.256 22.795 1122 HG23 ILE 141 HG23 ILE 141 -3.085 18.818 22.077 1123 HD11 ILE 141 HD11 ILE 141 -5.911 16.584 19.888 1124 HD12 ILE 141 HD12 ILE 141 -5.696 17.735 21.207 1125 HD13 ILE 141 HD13 ILE 141 -5.910 16.019 21.561 1126 H PHE 142 H PHE 142 -0.766 15.932 19.794 1127 HA PHE 142 HA PHE 142 -0.086 18.738 19.208 1128 HB2 PHE 142 HB2 PHE 142 1.293 16.159 18.460 1129 HB3 PHE 142 HB3 PHE 142 1.555 17.634 17.543 1130 HD1 PHE 142 HD1 PHE 142 1.672 16.397 21.073 1131 HD2 PHE 142 HD2 PHE 142 3.313 18.977 18.110 1132 HE1 PHE 142 HE1 PHE 142 3.463 17.043 22.626 1133 HE2 PHE 142 HE2 PHE 142 5.101 19.632 19.667 1134 HZ PHE 142 HZ PHE 142 5.180 18.663 21.925 1135 H VAL 143 H VAL 143 -1.700 19.469 17.905 1136 HA VAL 143 HA VAL 143 -2.753 17.627 15.872 1137 HB VAL 143 HB VAL 143 -3.868 20.308 16.675 1138 HG11 VAL 143 HG11 VAL 143 -4.436 19.630 14.400 1139 HG12 VAL 143 HG12 VAL 143 -5.853 19.602 15.449 1140 HG13 VAL 143 HG13 VAL 143 -5.049 18.095 15.013 1141 HG21 VAL 143 HG21 VAL 143 -4.784 17.552 17.463 1142 HG22 VAL 143 HG22 VAL 143 -5.591 19.066 17.870 1143 HG23 VAL 143 HG23 VAL 143 -3.992 18.717 18.525 1144 H ALA 144 H ALA 144 -1.512 17.687 14.151 1145 HA ALA 144 HA ALA 144 -0.495 20.246 13.164 1146 HB1 ALA 144 HB1 ALA 144 0.113 17.430 12.259 1147 HB2 ALA 144 HB2 ALA 144 1.096 18.398 13.359 1148 HB3 ALA 144 HB3 ALA 144 0.902 18.900 11.681 1149 H THR 145 H THR 145 -1.590 21.291 11.653 1150 HA THR 145 HA THR 145 -3.746 19.893 10.271 1151 HB THR 145 HB THR 145 -3.198 22.857 10.185 1152 HG1 THR 145 HG1 THR 145 -3.877 21.337 12.323 1153 HG21 THR 145 HG21 THR 145 -5.655 22.951 9.884 1154 HG22 THR 145 HG22 THR 145 -5.698 21.187 9.876 1155 HG23 THR 145 HG23 THR 145 -4.847 22.056 8.598 1156 H GLU 146 H GLU 146 -3.881 19.689 8.100 1157 HA GLU 146 HA GLU 146 -1.531 19.362 6.652 1158 HB2 GLU 146 HB2 GLU 146 -3.729 18.228 6.254 1159 HB3 GLU 146 HB3 GLU 146 -4.314 19.718 5.530 1160 HG2 GLU 146 HG2 GLU 146 -2.917 19.518 3.691 1161 HG3 GLU 146 HG3 GLU 146 -1.863 18.354 4.496 1162 H VAL 147 H VAL 147 -0.292 20.662 5.550 1163 HA VAL 147 HA VAL 147 -0.930 23.493 5.447 1164 HB VAL 147 HB VAL 147 1.586 22.244 4.367 1165 HG11 VAL 147 HG11 VAL 147 1.028 24.870 5.735 1166 HG12 VAL 147 HG12 VAL 147 1.334 24.627 4.012 1167 HG13 VAL 147 HG13 VAL 147 2.613 24.317 5.194 1168 HG21 VAL 147 HG21 VAL 147 1.109 21.266 6.591 1169 HG22 VAL 147 HG22 VAL 147 1.125 22.900 7.260 1170 HG23 VAL 147 HG23 VAL 147 2.585 22.229 6.533 1171 H LYS 148 H LYS 148 -1.045 24.704 3.542 1172 HA LYS 148 HA LYS 148 -1.765 23.163 1.184 1173 HB2 LYS 148 HB2 LYS 148 -2.374 25.512 0.320 1174 HB3 LYS 148 HB3 LYS 148 -3.353 24.818 1.606 1175 HG2 LYS 148 HG2 LYS 148 -2.110 26.133 3.256 1176 HG3 LYS 148 HG3 LYS 148 -1.149 26.840 1.955 1177 HD2 LYS 148 HD2 LYS 148 -2.925 28.343 2.623 1178 HD3 LYS 148 HD3 LYS 148 -3.184 27.775 0.974 1179 HE2 LYS 148 HE2 LYS 148 -5.296 27.702 2.057 1180 HE3 LYS 148 HE3 LYS 148 -4.730 26.038 1.932 1181 HZ1 LYS 148 HZ1 LYS 148 -4.718 27.770 4.338 1182 HZ2 LYS 148 HZ2 LYS 148 -3.898 26.290 4.259 1183 HZ3 LYS 148 HZ3 LYS 148 -5.587 26.328 4.103 1184 H1 JPT 201 H7 UNK 201 -4.308 7.420 26.731 1185 H11 JPT 201 H11 UNK 201 -5.091 4.939 26.245 1186 H12 JPT 201 H12 UNK 201 -2.383 4.621 22.492 1187 H13 JPT 201 H13 UNK 201 -2.617 7.063 23.383 1188 H62 JPT 201 H62 UNK 201 -6.123 7.836 21.588 1189 H61 JPT 201 H61 UNK 201 -7.894 7.787 21.724 1190 H3 JPT 201 H3 UNK 201 -6.252 10.177 21.758 1191 H4 JPT 201 H4 UNK 201 -7.322 8.023 27.835 1192 H2 JPT 201 H2 UNK 201 -9.016 8.432 23.753 Start of MODEL 11 1 HA MET 1 HA MET 1 -8.363 2.597 -7.770 2 HB2 MET 1 HB2 MET 1 -8.031 0.415 -8.864 3 HB3 MET 1 HB3 MET 1 -6.548 1.008 -9.597 4 HG2 MET 1 HG2 MET 1 -6.130 -0.407 -7.650 5 HG3 MET 1 HG3 MET 1 -5.519 1.232 -7.427 6 HE1 MET 1 HE1 MET 1 -6.630 0.207 -3.802 7 HE2 MET 1 HE2 MET 1 -5.304 0.781 -4.815 8 HE3 MET 1 HE3 MET 1 -5.931 -0.852 -5.029 9 H GLN 2 H GLN 2 -7.645 4.581 -7.204 10 HA GLN 2 HA GLN 2 -4.947 5.326 -8.109 11 HB2 GLN 2 HB2 GLN 2 -7.321 7.063 -7.435 12 HB3 GLN 2 HB3 GLN 2 -5.693 7.698 -7.620 13 HG2 GLN 2 HG2 GLN 2 -6.489 8.090 -9.705 14 HG3 GLN 2 HG3 GLN 2 -5.847 6.468 -9.948 15 HE21 GLN 2 HE21 GLN 2 -7.887 7.831 -11.442 16 HE22 GLN 2 HE22 GLN 2 -9.324 6.870 -11.315 17 H ALA 3 H ALA 3 -4.292 7.274 -6.382 18 HA ALA 3 HA ALA 3 -3.673 5.728 -4.054 19 HB1 ALA 3 HB1 ALA 3 -2.283 7.596 -3.396 20 HB2 ALA 3 HB2 ALA 3 -2.978 8.587 -4.679 21 HB3 ALA 3 HB3 ALA 3 -2.007 7.173 -5.085 22 H LYS 4 H LYS 4 -5.544 5.402 -2.954 23 HA LYS 4 HA LYS 4 -6.351 7.721 -1.348 24 HB2 LYS 4 HB2 LYS 4 -8.125 5.431 -2.170 25 HB3 LYS 4 HB3 LYS 4 -8.575 6.698 -1.043 26 HG2 LYS 4 HG2 LYS 4 -7.989 8.267 -3.054 27 HG3 LYS 4 HG3 LYS 4 -8.265 6.804 -4.000 28 HD2 LYS 4 HD2 LYS 4 -10.200 8.136 -2.109 29 HD3 LYS 4 HD3 LYS 4 -10.317 8.060 -3.867 30 HE2 LYS 4 HE2 LYS 4 -10.645 5.680 -3.798 31 HE3 LYS 4 HE3 LYS 4 -10.331 5.647 -2.063 32 HZ1 LYS 4 HZ1 LYS 4 -12.630 6.977 -3.393 33 HZ2 LYS 4 HZ2 LYS 4 -12.319 7.000 -1.729 34 HZ3 LYS 4 HZ3 LYS 4 -12.689 5.537 -2.501 35 HA PRO 5 HA PRO 5 -4.236 4.952 1.483 36 HB2 PRO 5 HB2 PRO 5 -4.250 6.710 3.573 37 HB3 PRO 5 HB3 PRO 5 -3.069 6.755 2.259 38 HG2 PRO 5 HG2 PRO 5 -5.576 8.352 2.604 39 HG3 PRO 5 HG3 PRO 5 -3.964 8.902 2.106 40 HD2 PRO 5 HD2 PRO 5 -5.904 8.488 0.309 41 HD3 PRO 5 HD3 PRO 5 -4.216 8.068 -0.054 42 H GLN 6 H GLN 6 -5.574 3.373 1.992 43 HA GLN 6 HA GLN 6 -7.648 3.886 4.008 44 HB2 GLN 6 HB2 GLN 6 -7.609 1.812 1.806 45 HB3 GLN 6 HB3 GLN 6 -8.799 1.857 3.098 46 HG2 GLN 6 HG2 GLN 6 -9.703 3.899 2.321 47 HG3 GLN 6 HG3 GLN 6 -8.354 4.151 1.212 48 HE21 GLN 6 HE21 GLN 6 -8.270 3.010 -0.699 49 HE22 GLN 6 HE22 GLN 6 -9.634 2.159 -1.336 50 H ILE 7 H ILE 7 -7.648 2.625 5.794 51 HA ILE 7 HA ILE 7 -5.196 1.267 6.413 52 HB ILE 7 HB ILE 7 -7.731 1.635 8.017 53 HG12 ILE 7 HG12 ILE 7 -6.026 3.032 9.411 54 HG13 ILE 7 HG13 ILE 7 -5.084 3.040 7.924 55 HG21 ILE 7 HG21 ILE 7 -6.647 -0.411 8.731 56 HG22 ILE 7 HG22 ILE 7 -6.474 0.840 9.962 57 HG23 ILE 7 HG23 ILE 7 -5.114 0.442 8.911 58 HD11 ILE 7 HD11 ILE 7 -6.849 4.145 6.747 59 HD12 ILE 7 HD12 ILE 7 -6.508 5.035 8.234 60 HD13 ILE 7 HD13 ILE 7 -7.924 3.991 8.136 61 HA PRO 8 HA PRO 8 -6.763 -2.854 5.413 62 HB2 PRO 8 HB2 PRO 8 -4.510 -4.177 6.107 63 HB3 PRO 8 HB3 PRO 8 -4.657 -3.320 4.568 64 HG2 PRO 8 HG2 PRO 8 -3.334 -2.444 7.106 65 HG3 PRO 8 HG3 PRO 8 -2.754 -2.299 5.436 66 HD2 PRO 8 HD2 PRO 8 -3.914 -0.233 6.771 67 HD3 PRO 8 HD3 PRO 8 -4.060 -0.437 5.013 68 H LYS 9 H LYS 9 -7.353 -4.655 6.762 69 HA LYS 9 HA LYS 9 -7.658 -3.798 9.515 70 HB2 LYS 9 HB2 LYS 9 -8.854 -6.122 8.036 71 HB3 LYS 9 HB3 LYS 9 -9.207 -5.727 9.710 72 HG2 LYS 9 HG2 LYS 9 -9.880 -4.154 7.245 73 HG3 LYS 9 HG3 LYS 9 -10.975 -4.801 8.471 74 HD2 LYS 9 HD2 LYS 9 -10.035 -3.243 10.120 75 HD3 LYS 9 HD3 LYS 9 -8.956 -2.592 8.887 76 HE2 LYS 9 HE2 LYS 9 -10.776 -1.086 9.066 77 HE3 LYS 9 HE3 LYS 9 -11.005 -1.980 7.566 78 HZ1 LYS 9 HZ1 LYS 9 -13.056 -1.738 8.869 79 HZ2 LYS 9 HZ2 LYS 9 -12.353 -2.627 10.135 80 HZ3 LYS 9 HZ3 LYS 9 -12.634 -3.360 8.630 81 H ASP 10 H ASP 10 -5.204 -5.097 8.107 82 HA ASP 10 HA ASP 10 -4.554 -6.909 10.317 83 HB2 ASP 10 HB2 ASP 10 -3.963 -7.701 8.053 84 HB3 ASP 10 HB3 ASP 10 -2.976 -6.263 7.807 85 H LYS 11 H LYS 11 -3.988 -5.779 12.058 86 HA LYS 11 HA LYS 11 -2.959 -3.102 11.788 87 HB2 LYS 11 HB2 LYS 11 -3.130 -3.048 14.266 88 HB3 LYS 11 HB3 LYS 11 -4.639 -3.461 13.463 89 HG2 LYS 11 HG2 LYS 11 -4.292 -5.802 13.966 90 HG3 LYS 11 HG3 LYS 11 -2.741 -5.426 14.714 91 HD2 LYS 11 HD2 LYS 11 -3.896 -4.051 16.392 92 HD3 LYS 11 HD3 LYS 11 -5.449 -4.454 15.652 93 HE2 LYS 11 HE2 LYS 11 -3.517 -6.465 16.808 94 HE3 LYS 11 HE3 LYS 11 -4.914 -5.809 17.662 95 HZ1 LYS 11 HZ1 LYS 11 -4.994 -7.395 15.148 96 HZ2 LYS 11 HZ2 LYS 11 -6.339 -6.725 15.926 97 HZ3 LYS 11 HZ3 LYS 11 -5.439 -7.941 16.690 98 H SER 12 H SER 12 -1.511 -6.001 11.645 99 HA SER 12 HA SER 12 0.804 -5.339 13.269 100 HB2 SER 12 HB2 SER 12 0.249 -7.746 11.521 101 HB3 SER 12 HB3 SER 12 1.602 -7.573 12.643 102 HG SER 12 HG SER 12 -0.201 -7.154 14.243 103 H LYS 13 H LYS 13 -0.251 -4.341 10.396 104 HA LYS 13 HA LYS 13 2.395 -4.316 9.119 105 HB2 LYS 13 HB2 LYS 13 -0.308 -3.547 8.009 106 HB3 LYS 13 HB3 LYS 13 1.207 -3.448 7.128 107 HG2 LYS 13 HG2 LYS 13 1.429 -5.931 7.459 108 HG3 LYS 13 HG3 LYS 13 -0.233 -5.912 8.058 109 HD2 LYS 13 HD2 LYS 13 -0.964 -4.878 5.940 110 HD3 LYS 13 HD3 LYS 13 0.696 -4.976 5.344 111 HE2 LYS 13 HE2 LYS 13 0.571 -7.463 5.724 112 HE3 LYS 13 HE3 LYS 13 -1.154 -7.254 6.028 113 HZ1 LYS 13 HZ1 LYS 13 -1.300 -6.219 3.785 114 HZ2 LYS 13 HZ2 LYS 13 -0.872 -7.858 3.761 115 HZ3 LYS 13 HZ3 LYS 13 0.313 -6.670 3.513 116 H VAL 14 H VAL 14 2.578 -2.135 7.774 117 HA VAL 14 HA VAL 14 2.024 0.097 9.584 118 HB VAL 14 HB VAL 14 4.359 -0.103 9.059 119 HG11 VAL 14 HG11 VAL 14 3.590 -0.007 6.149 120 HG12 VAL 14 HG12 VAL 14 4.209 -1.411 7.020 121 HG13 VAL 14 HG13 VAL 14 5.236 0.004 6.783 122 HG21 VAL 14 HG21 VAL 14 3.140 2.150 7.469 123 HG22 VAL 14 HG22 VAL 14 4.810 2.072 8.030 124 HG23 VAL 14 HG23 VAL 14 3.493 2.164 9.199 125 H ALA 15 H ALA 15 0.579 1.620 9.017 126 HA ALA 15 HA ALA 15 -0.804 1.305 6.470 127 HB1 ALA 15 HB1 ALA 15 -1.443 3.068 8.829 128 HB2 ALA 15 HB2 ALA 15 -2.155 1.493 8.481 129 HB3 ALA 15 HB3 ALA 15 -2.457 2.855 7.401 130 H GLY 16 H GLY 16 1.306 3.493 8.128 131 HA2 GLY 16 HA2 GLY 16 2.008 4.832 5.708 132 HA3 GLY 16 HA3 GLY 16 1.034 5.856 6.760 133 H TYR 17 H TYR 17 3.655 6.518 6.120 134 HA TYR 17 HA TYR 17 5.150 5.851 8.569 135 HB2 TYR 17 HB2 TYR 17 6.197 7.061 5.997 136 HB3 TYR 17 HB3 TYR 17 7.158 6.522 7.371 137 HD1 TYR 17 HD1 TYR 17 5.151 5.442 4.497 138 HD2 TYR 17 HD2 TYR 17 7.605 4.173 7.733 139 HE1 TYR 17 HE1 TYR 17 5.305 3.208 3.494 140 HE2 TYR 17 HE2 TYR 17 7.773 1.932 6.732 141 HH TYR 17 HH TYR 17 6.906 1.268 3.560 142 H ILE 18 H ILE 18 5.948 7.480 9.876 143 HA ILE 18 HA ILE 18 4.792 10.122 9.322 144 HB ILE 18 HB ILE 18 3.937 9.105 11.369 145 HG12 ILE 18 HG12 ILE 18 4.508 10.939 12.952 146 HG13 ILE 18 HG13 ILE 18 5.777 11.449 11.843 147 HG21 ILE 18 HG21 ILE 18 6.780 9.122 12.348 148 HG22 ILE 18 HG22 ILE 18 5.839 7.692 11.929 149 HG23 ILE 18 HG23 ILE 18 5.353 8.694 13.297 150 HD11 ILE 18 HD11 ILE 18 2.841 11.346 11.208 151 HD12 ILE 18 HD12 ILE 18 4.124 11.894 10.128 152 HD13 ILE 18 HD13 ILE 18 3.767 12.794 11.602 153 H GLU 19 H GLU 19 6.148 11.585 8.640 154 HA GLU 19 HA GLU 19 8.952 11.425 9.503 155 HB2 GLU 19 HB2 GLU 19 7.815 12.514 6.927 156 HB3 GLU 19 HB3 GLU 19 9.494 12.684 7.412 157 HG2 GLU 19 HG2 GLU 19 9.613 10.172 7.479 158 HG3 GLU 19 HG3 GLU 19 8.017 10.160 6.726 159 H ILE 20 H ILE 20 9.447 12.889 10.923 160 HA ILE 20 HA ILE 20 8.553 15.655 10.496 161 HB ILE 20 HB ILE 20 8.782 14.384 13.233 162 HG12 ILE 20 HG12 ILE 20 6.246 15.184 11.793 163 HG13 ILE 20 HG13 ILE 20 6.840 13.529 11.869 164 HG21 ILE 20 HG21 ILE 20 9.259 16.758 13.213 165 HG22 ILE 20 HG22 ILE 20 7.704 16.460 13.991 166 HG23 ILE 20 HG23 ILE 20 7.762 17.074 12.338 167 HD11 ILE 20 HD11 ILE 20 6.064 15.224 14.228 168 HD12 ILE 20 HD12 ILE 20 6.634 13.554 14.288 169 HD13 ILE 20 HD13 ILE 20 5.098 13.935 13.508 170 HA PRO 21 HA PRO 21 13.117 15.343 10.415 171 HB2 PRO 21 HB2 PRO 21 12.790 18.070 9.305 172 HB3 PRO 21 HB3 PRO 21 13.677 16.690 8.652 173 HG2 PRO 21 HG2 PRO 21 11.374 17.484 7.566 174 HG3 PRO 21 HG3 PRO 21 11.787 15.766 7.689 175 HD2 PRO 21 HD2 PRO 21 9.931 17.392 9.376 176 HD3 PRO 21 HD3 PRO 21 9.740 15.734 8.771 177 H ASP 22 H ASP 22 11.150 18.044 11.472 178 HA ASP 22 HA ASP 22 13.100 19.474 12.902 179 HB2 ASP 22 HB2 ASP 22 10.821 20.289 12.230 180 HB3 ASP 22 HB3 ASP 22 10.148 19.310 13.521 181 H ALA 23 H ALA 23 11.362 16.585 13.668 182 HA ALA 23 HA ALA 23 12.294 16.733 16.457 183 HB1 ALA 23 HB1 ALA 23 9.868 16.718 16.290 184 HB2 ALA 23 HB2 ALA 23 10.448 15.222 17.019 185 HB3 ALA 23 HB3 ALA 23 9.929 15.236 15.334 186 H ASP 24 H ASP 24 13.355 15.568 13.730 187 HA ASP 24 HA ASP 24 14.623 13.818 13.033 188 HB2 ASP 24 HB2 ASP 24 15.853 14.432 15.125 189 HB3 ASP 24 HB3 ASP 24 14.915 13.217 15.987 190 H ILE 25 H ILE 25 11.772 13.443 13.338 191 HA ILE 25 HA ILE 25 11.514 10.636 14.131 192 HB ILE 25 HB ILE 25 9.482 12.783 13.556 193 HG12 ILE 25 HG12 ILE 25 10.086 11.147 16.030 194 HG13 ILE 25 HG13 ILE 25 10.545 12.826 15.770 195 HG21 ILE 25 HG21 ILE 25 8.938 9.879 14.152 196 HG22 ILE 25 HG22 ILE 25 8.723 10.665 12.589 197 HG23 ILE 25 HG23 ILE 25 7.732 11.153 13.967 198 HD11 ILE 25 HD11 ILE 25 7.733 11.776 15.946 199 HD12 ILE 25 HD12 ILE 25 8.197 13.459 15.697 200 HD13 ILE 25 HD13 ILE 25 8.601 12.648 17.210 201 H LYS 26 H LYS 26 11.728 9.144 12.596 202 HA LYS 26 HA LYS 26 10.313 9.464 10.077 203 HB2 LYS 26 HB2 LYS 26 13.287 8.933 10.224 204 HB3 LYS 26 HB3 LYS 26 12.316 8.674 8.781 205 HG2 LYS 26 HG2 LYS 26 12.341 10.832 8.250 206 HG3 LYS 26 HG3 LYS 26 11.972 11.331 9.901 207 HD2 LYS 26 HD2 LYS 26 14.686 10.543 8.856 208 HD3 LYS 26 HD3 LYS 26 14.131 12.188 9.165 209 HE2 LYS 26 HE2 LYS 26 13.817 11.601 11.543 210 HE3 LYS 26 HE3 LYS 26 14.471 9.998 11.208 211 HZ1 LYS 26 HZ1 LYS 26 15.938 12.537 10.757 212 HZ2 LYS 26 HZ2 LYS 26 16.561 10.964 10.609 213 HZ3 LYS 26 HZ3 LYS 26 16.118 11.565 12.136 214 H GLU 27 H GLU 27 8.976 7.821 11.012 215 HA GLU 27 HA GLU 27 10.053 5.138 10.734 216 HB2 GLU 27 HB2 GLU 27 9.218 6.293 13.369 217 HB3 GLU 27 HB3 GLU 27 8.968 4.582 13.051 218 HG2 GLU 27 HG2 GLU 27 11.404 4.430 12.484 219 HG3 GLU 27 HG3 GLU 27 11.571 6.082 13.077 220 HA PRO 28 HA PRO 28 5.981 4.097 9.429 221 HB2 PRO 28 HB2 PRO 28 5.676 1.560 10.305 222 HB3 PRO 28 HB3 PRO 28 6.791 1.991 9.005 223 HG2 PRO 28 HG2 PRO 28 7.364 1.506 11.906 224 HG3 PRO 28 HG3 PRO 28 8.248 0.927 10.480 225 HD2 PRO 28 HD2 PRO 28 9.064 3.059 11.927 226 HD3 PRO 28 HD3 PRO 28 9.328 2.937 10.176 227 H VAL 29 H VAL 29 3.854 4.091 10.021 228 HA VAL 29 HA VAL 29 3.254 4.135 12.907 229 HB VAL 29 HB VAL 29 1.654 5.314 10.622 230 HG11 VAL 29 HG11 VAL 29 1.232 5.508 13.600 231 HG12 VAL 29 HG12 VAL 29 0.233 4.599 12.465 232 HG13 VAL 29 HG13 VAL 29 0.300 6.360 12.369 233 HG21 VAL 29 HG21 VAL 29 3.340 6.674 12.716 234 HG22 VAL 29 HG22 VAL 29 2.316 7.488 11.534 235 HG23 VAL 29 HG23 VAL 29 3.710 6.551 10.997 236 H TYR 30 H TYR 30 1.912 2.634 13.722 237 HA TYR 30 HA TYR 30 0.917 0.609 11.864 238 HB2 TYR 30 HB2 TYR 30 1.116 0.462 14.880 239 HB3 TYR 30 HB3 TYR 30 0.811 -0.874 13.770 240 HD1 TYR 30 HD1 TYR 30 3.240 0.492 15.768 241 HD2 TYR 30 HD2 TYR 30 2.711 -0.918 11.789 242 HE1 TYR 30 HE1 TYR 30 5.661 0.108 15.589 243 HE2 TYR 30 HE2 TYR 30 5.127 -1.307 11.592 244 HH TYR 30 HH TYR 30 7.226 -1.236 14.292 245 HA PRO 31 HA PRO 31 -3.206 2.025 12.677 246 HB2 PRO 31 HB2 PRO 31 -4.494 0.353 11.060 247 HB3 PRO 31 HB3 PRO 31 -3.379 1.558 10.405 248 HG2 PRO 31 HG2 PRO 31 -2.995 -1.370 10.788 249 HG3 PRO 31 HG3 PRO 31 -2.407 -0.320 9.487 250 HD2 PRO 31 HD2 PRO 31 -0.946 -1.175 11.733 251 HD3 PRO 31 HD3 PRO 31 -0.486 0.121 10.612 252 H GLY 32 H GLY 32 -5.456 0.789 12.980 253 HA2 GLY 32 HA2 GLY 32 -6.286 -1.468 13.659 254 HA3 GLY 32 HA3 GLY 32 -4.984 -1.452 14.836 255 HA PRO 33 HA PRO 33 -8.860 0.212 16.810 256 HB2 PRO 33 HB2 PRO 33 -9.350 -1.781 18.507 257 HB3 PRO 33 HB3 PRO 33 -9.766 -1.919 16.798 258 HG2 PRO 33 HG2 PRO 33 -7.391 -3.027 18.245 259 HG3 PRO 33 HG3 PRO 33 -8.442 -3.829 17.065 260 HD2 PRO 33 HD2 PRO 33 -6.020 -2.710 16.455 261 HD3 PRO 33 HD3 PRO 33 -7.341 -2.914 15.289 262 H ALA 34 H ALA 34 -5.797 0.059 17.497 263 HA ALA 34 HA ALA 34 -4.361 0.610 19.163 264 HB1 ALA 34 HB1 ALA 34 -6.783 1.809 20.507 265 HB2 ALA 34 HB2 ALA 34 -5.759 2.627 19.327 266 HB3 ALA 34 HB3 ALA 34 -5.096 2.150 20.889 267 H THR 35 H THR 35 -4.201 -1.687 19.478 268 HA THR 35 HA THR 35 -5.647 -2.804 21.756 269 HB THR 35 HB THR 35 -3.766 -4.586 20.426 270 HG1 THR 35 HG1 THR 35 -5.723 -3.211 18.868 271 HG21 THR 35 HG21 THR 35 -5.709 -5.292 21.793 272 HG22 THR 35 HG22 THR 35 -5.762 -5.962 20.163 273 HG23 THR 35 HG23 THR 35 -6.789 -4.592 20.584 274 HA PRO 36 HA PRO 36 -2.632 -2.297 24.887 275 HB2 PRO 36 HB2 PRO 36 -2.578 -5.289 25.008 276 HB3 PRO 36 HB3 PRO 36 -2.684 -4.113 26.324 277 HG2 PRO 36 HG2 PRO 36 -4.855 -5.390 25.453 278 HG3 PRO 36 HG3 PRO 36 -4.926 -3.688 25.945 279 HD2 PRO 36 HD2 PRO 36 -5.069 -4.878 23.241 280 HD3 PRO 36 HD3 PRO 36 -5.716 -3.337 23.834 281 H GLU 37 H GLU 37 -1.633 -5.359 23.317 282 HA GLU 37 HA GLU 37 1.121 -4.626 23.667 283 HB2 GLU 37 HB2 GLU 37 1.337 -6.852 22.214 284 HB3 GLU 37 HB3 GLU 37 1.005 -6.870 23.938 285 HG2 GLU 37 HG2 GLU 37 -0.424 -8.432 22.796 286 HG3 GLU 37 HG3 GLU 37 -1.385 -7.120 23.470 287 H GLN 38 H GLN 38 -1.168 -4.515 21.074 288 HA GLN 38 HA GLN 38 0.640 -4.229 18.921 289 HB2 GLN 38 HB2 GLN 38 -1.806 -4.721 18.716 290 HB3 GLN 38 HB3 GLN 38 -2.138 -3.060 19.183 291 HG2 GLN 38 HG2 GLN 38 -2.294 -3.369 16.774 292 HG3 GLN 38 HG3 GLN 38 -1.000 -2.249 17.202 293 HE21 GLN 38 HE21 GLN 38 1.119 -2.837 16.873 294 HE22 GLN 38 HE22 GLN 38 1.573 -4.213 15.927 295 H LEU 39 H LEU 39 -0.792 -1.978 21.190 296 HA LEU 39 HA LEU 39 0.167 0.393 19.936 297 HB2 LEU 39 HB2 LEU 39 -1.730 0.688 21.258 298 HB3 LEU 39 HB3 LEU 39 -1.101 -0.310 22.555 299 HG LEU 39 HG LEU 39 0.583 1.502 22.986 300 HD11 LEU 39 HD11 LEU 39 0.008 3.758 22.185 301 HD12 LEU 39 HD12 LEU 39 -1.236 3.052 21.151 302 HD13 LEU 39 HD13 LEU 39 0.464 2.670 20.875 303 HD21 LEU 39 HD21 LEU 39 -1.350 1.162 24.409 304 HD22 LEU 39 HD22 LEU 39 -2.340 2.150 23.333 305 HD23 LEU 39 HD23 LEU 39 -1.014 2.884 24.236 306 H ASN 40 H ASN 40 1.284 -1.725 22.512 307 HA ASN 40 HA ASN 40 3.277 0.030 23.497 308 HB2 ASN 40 HB2 ASN 40 2.613 -2.840 23.911 309 HB3 ASN 40 HB3 ASN 40 4.217 -2.286 24.388 310 HD21 ASN 40 HD21 ASN 40 0.813 -2.109 25.027 311 HD22 ASN 40 HD22 ASN 40 0.944 -1.285 26.544 312 H ARG 41 H ARG 41 3.192 -1.806 20.641 313 HA ARG 41 HA ARG 41 5.975 -2.238 20.331 314 HB2 ARG 41 HB2 ARG 41 4.200 -3.409 19.091 315 HB3 ARG 41 HB3 ARG 41 3.765 -1.898 18.310 316 HG2 ARG 41 HG2 ARG 41 5.931 -1.823 17.221 317 HG3 ARG 41 HG3 ARG 41 6.388 -3.335 18.022 318 HD2 ARG 41 HD2 ARG 41 4.519 -4.463 16.970 319 HD3 ARG 41 HD3 ARG 41 4.038 -2.961 16.191 320 HE ARG 41 HE ARG 41 6.644 -3.368 15.409 321 HH11 ARG 41 HH11 ARG 41 3.668 -5.226 15.161 322 HH12 ARG 41 HH12 ARG 41 4.116 -5.958 13.648 323 HH21 ARG 41 HH21 ARG 41 7.222 -4.365 13.423 324 HH22 ARG 41 HH22 ARG 41 6.113 -5.481 12.677 325 H GLY 42 H GLY 42 3.824 0.464 19.850 326 HA2 GLY 42 HA2 GLY 42 5.826 2.397 19.872 327 HA3 GLY 42 HA3 GLY 42 5.475 2.045 18.184 328 H VAL 43 H VAL 43 3.447 2.556 17.334 329 HA VAL 43 HA VAL 43 1.634 4.098 19.048 330 HB VAL 43 HB VAL 43 1.336 5.804 17.313 331 HG11 VAL 43 HG11 VAL 43 4.209 5.464 18.152 332 HG12 VAL 43 HG12 VAL 43 2.933 6.269 19.067 333 HG13 VAL 43 HG13 VAL 43 3.495 6.958 17.543 334 HG21 VAL 43 HG21 VAL 43 2.916 5.949 15.424 335 HG22 VAL 43 HG22 VAL 43 1.885 4.521 15.343 336 HG23 VAL 43 HG23 VAL 43 3.561 4.368 15.871 337 H SER 44 H SER 44 -0.530 4.293 18.170 338 HA SER 44 HA SER 44 -1.211 2.653 15.873 339 HB2 SER 44 HB2 SER 44 -2.959 1.414 17.234 340 HB3 SER 44 HB3 SER 44 -1.289 0.952 17.563 341 HG SER 44 HG SER 44 -1.909 2.968 19.169 342 H PHE 45 H PHE 45 -3.423 3.032 15.158 343 HA PHE 45 HA PHE 45 -4.231 5.729 15.559 344 HB2 PHE 45 HB2 PHE 45 -5.587 3.447 14.114 345 HB3 PHE 45 HB3 PHE 45 -6.188 5.102 14.119 346 HD1 PHE 45 HD1 PHE 45 -3.639 6.593 13.914 347 HD2 PHE 45 HD2 PHE 45 -4.996 3.106 11.890 348 HE1 PHE 45 HE1 PHE 45 -2.184 7.137 12.009 349 HE2 PHE 45 HE2 PHE 45 -3.538 3.642 9.983 350 HZ PHE 45 HZ PHE 45 -2.130 5.661 10.043 351 H ALA 46 H ALA 46 -6.279 6.468 16.328 352 HA ALA 46 HA ALA 46 -6.867 5.647 18.910 353 HB1 ALA 46 HB1 ALA 46 -8.832 7.086 18.770 354 HB2 ALA 46 HB2 ALA 46 -8.676 7.145 17.015 355 HB3 ALA 46 HB3 ALA 46 -7.428 7.861 18.038 356 H GLU 47 H GLU 47 -8.570 4.864 15.892 357 HA GLU 47 HA GLU 47 -9.453 2.386 17.069 358 HB2 GLU 47 HB2 GLU 47 -11.830 2.746 16.390 359 HB3 GLU 47 HB3 GLU 47 -11.307 3.734 17.743 360 HG2 GLU 47 HG2 GLU 47 -11.079 5.655 16.274 361 HG3 GLU 47 HG3 GLU 47 -11.541 4.662 14.891 362 H GLU 48 H GLU 48 -10.995 1.308 15.261 363 HA GLU 48 HA GLU 48 -9.103 0.899 13.133 364 HB2 GLU 48 HB2 GLU 48 -10.359 -0.913 14.364 365 HB3 GLU 48 HB3 GLU 48 -11.803 -0.393 13.509 366 HG2 GLU 48 HG2 GLU 48 -10.698 -0.895 11.376 367 HG3 GLU 48 HG3 GLU 48 -9.287 -1.474 12.265 368 H ASN 49 H ASN 49 -12.169 2.470 13.545 369 HA ASN 49 HA ASN 49 -12.784 2.658 10.748 370 HB2 ASN 49 HB2 ASN 49 -14.584 2.657 12.381 371 HB3 ASN 49 HB3 ASN 49 -13.932 4.099 13.152 372 HD21 ASN 49 HD21 ASN 49 -15.468 2.858 10.254 373 HD22 ASN 49 HD22 ASN 49 -16.096 4.379 9.714 374 H GLU 50 H GLU 50 -10.602 4.267 12.740 375 HA GLU 50 HA GLU 50 -10.689 6.890 11.730 376 HB2 GLU 50 HB2 GLU 50 -9.373 6.162 13.729 377 HB3 GLU 50 HB3 GLU 50 -8.241 5.363 12.646 378 HG2 GLU 50 HG2 GLU 50 -7.350 7.492 13.320 379 HG3 GLU 50 HG3 GLU 50 -7.740 7.536 11.601 380 H SER 51 H SER 51 -10.082 7.716 9.799 381 HA SER 51 HA SER 51 -8.916 5.806 7.884 382 HB2 SER 51 HB2 SER 51 -10.792 8.113 7.320 383 HB3 SER 51 HB3 SER 51 -10.187 6.950 6.140 384 HG SER 51 HG SER 51 -11.552 6.040 8.429 385 H LEU 52 H LEU 52 -7.215 6.408 6.636 386 HA LEU 52 HA LEU 52 -5.556 8.533 7.510 387 HB2 LEU 52 HB2 LEU 52 -5.395 6.899 4.975 388 HB3 LEU 52 HB3 LEU 52 -4.114 7.906 5.618 389 HG LEU 52 HG LEU 52 -5.237 5.490 7.023 390 HD11 LEU 52 HD11 LEU 52 -2.707 5.779 5.415 391 HD12 LEU 52 HD12 LEU 52 -4.121 4.820 4.976 392 HD13 LEU 52 HD13 LEU 52 -3.158 4.376 6.385 393 HD21 LEU 52 HD21 LEU 52 -4.286 7.127 8.537 394 HD22 LEU 52 HD22 LEU 52 -2.810 7.185 7.572 395 HD23 LEU 52 HD23 LEU 52 -3.248 5.706 8.428 396 H ASP 53 H ASP 53 -8.014 8.289 5.113 397 HA ASP 53 HA ASP 53 -7.109 10.768 3.823 398 HB2 ASP 53 HB2 ASP 53 -7.490 8.656 2.466 399 HB3 ASP 53 HB3 ASP 53 -9.204 8.845 2.805 400 H ASP 54 H ASP 54 -8.716 10.256 6.374 401 HA ASP 54 HA ASP 54 -11.216 11.617 5.749 402 HB2 ASP 54 HB2 ASP 54 -10.948 9.703 7.471 403 HB3 ASP 54 HB3 ASP 54 -10.255 10.937 8.521 404 H GLN 55 H GLN 55 -11.663 13.322 7.773 405 HA GLN 55 HA GLN 55 -9.949 15.511 7.010 406 HB2 GLN 55 HB2 GLN 55 -12.451 15.659 7.323 407 HB3 GLN 55 HB3 GLN 55 -12.177 15.519 9.054 408 HG2 GLN 55 HG2 GLN 55 -10.512 17.587 7.985 409 HG3 GLN 55 HG3 GLN 55 -12.178 17.842 7.472 410 HE21 GLN 55 HE21 GLN 55 -9.985 17.721 10.144 411 HE22 GLN 55 HE22 GLN 55 -11.062 18.389 11.323 412 H ASN 56 H ASN 56 -10.031 13.209 9.500 413 HA ASN 56 HA ASN 56 -7.814 14.549 10.814 414 HB2 ASN 56 HB2 ASN 56 -8.814 13.999 13.085 415 HB3 ASN 56 HB3 ASN 56 -9.530 15.348 12.221 416 HD21 ASN 56 HD21 ASN 56 -10.136 11.888 11.662 417 HD22 ASN 56 HD22 ASN 56 -11.809 11.954 12.107 418 H ILE 57 H ILE 57 -6.321 13.203 11.690 419 HA ILE 57 HA ILE 57 -6.946 10.326 11.716 420 HB ILE 57 HB ILE 57 -4.343 11.554 10.770 421 HG12 ILE 57 HG12 ILE 57 -5.057 10.020 8.721 422 HG13 ILE 57 HG13 ILE 57 -6.670 10.340 9.351 423 HG21 ILE 57 HG21 ILE 57 -5.124 8.664 11.076 424 HG22 ILE 57 HG22 ILE 57 -3.909 9.533 12.014 425 HG23 ILE 57 HG23 ILE 57 -3.658 9.249 10.291 426 HD11 ILE 57 HD11 ILE 57 -4.653 12.404 8.532 427 HD12 ILE 57 HD12 ILE 57 -6.272 12.730 9.150 428 HD13 ILE 57 HD13 ILE 57 -6.066 11.905 7.604 429 H SER 58 H SER 58 -7.050 9.892 13.815 430 HA SER 58 HA SER 58 -5.291 11.248 15.688 431 HB2 SER 58 HB2 SER 58 -7.370 9.154 16.313 432 HB3 SER 58 HB3 SER 58 -6.719 10.397 17.385 433 HG SER 58 HG SER 58 -8.491 10.676 15.194 434 H ILE 59 H ILE 59 -3.333 10.469 16.029 435 HA ILE 59 HA ILE 59 -2.925 7.552 15.996 436 HB ILE 59 HB ILE 59 -0.818 9.720 15.831 437 HG12 ILE 59 HG12 ILE 59 -1.923 7.949 13.636 438 HG13 ILE 59 HG13 ILE 59 -2.257 9.668 13.817 439 HG21 ILE 59 HG21 ILE 59 -0.641 6.729 15.453 440 HG22 ILE 59 HG22 ILE 59 0.007 7.652 16.808 441 HG23 ILE 59 HG23 ILE 59 0.675 7.873 15.192 442 HD11 ILE 59 HD11 ILE 59 -0.580 9.255 12.105 443 HD12 ILE 59 HD12 ILE 59 0.446 8.443 13.290 444 HD13 ILE 59 HD13 ILE 59 0.101 10.166 13.453 445 H ALA 60 H ALA 60 -3.020 6.703 17.966 446 HA ALA 60 HA ALA 60 -2.205 8.308 20.274 447 HB1 ALA 60 HB1 ALA 60 -3.645 5.660 20.160 448 HB2 ALA 60 HB2 ALA 60 -4.397 7.240 20.386 449 HB3 ALA 60 HB3 ALA 60 -3.312 6.596 21.616 450 H GLY 61 H GLY 61 -0.248 8.008 21.163 451 HA2 GLY 61 HA2 GLY 61 1.169 5.506 20.455 452 HA3 GLY 61 HA3 GLY 61 1.958 7.073 20.486 453 H HIS 62 H HIS 62 2.879 4.837 21.868 454 HA HIS 62 HA HIS 62 2.552 5.769 24.648 455 HB2 HIS 62 HB2 HIS 62 1.579 3.507 24.319 456 HB3 HIS 62 HB3 HIS 62 3.141 2.936 23.745 457 HD1 HIS 62 HD1 HIS 62 4.470 1.793 25.486 458 HD2 HIS 62 HD2 HIS 62 1.869 4.594 27.126 459 HE1 HIS 62 HE1 HIS 62 4.766 1.614 27.977 460 H THR 63 H THR 63 4.367 6.396 25.634 461 HA THR 63 HA THR 63 6.752 6.666 24.130 462 HB THR 63 HB THR 63 6.429 7.115 27.097 463 HG1 THR 63 HG1 THR 63 6.137 9.219 25.289 464 HG21 THR 63 HG21 THR 63 8.229 8.404 25.037 465 HG22 THR 63 HG22 THR 63 8.734 7.227 26.251 466 HG23 THR 63 HG23 THR 63 8.157 8.818 26.750 467 H PHE 64 H PHE 64 8.611 5.563 24.153 468 HA PHE 64 HA PHE 64 8.772 3.116 25.744 469 HB2 PHE 64 HB2 PHE 64 9.732 3.945 23.127 470 HB3 PHE 64 HB3 PHE 64 11.023 3.254 24.104 471 HD1 PHE 64 HD1 PHE 64 10.384 1.009 25.323 472 HD2 PHE 64 HD2 PHE 64 8.453 2.532 21.850 473 HE1 PHE 64 HE1 PHE 64 9.625 -1.261 24.756 474 HE2 PHE 64 HE2 PHE 64 7.690 0.263 21.277 475 HZ PHE 64 HZ PHE 64 8.276 -1.637 22.731 476 H ILE 65 H ILE 65 10.255 2.830 27.318 477 HA ILE 65 HA ILE 65 11.861 5.131 28.091 478 HB ILE 65 HB ILE 65 11.543 2.488 29.528 479 HG12 ILE 65 HG12 ILE 65 10.116 5.112 30.028 480 HG13 ILE 65 HG13 ILE 65 9.390 3.711 29.246 481 HG21 ILE 65 HG21 ILE 65 12.371 3.725 31.478 482 HG22 ILE 65 HG22 ILE 65 12.583 5.159 30.472 483 HG23 ILE 65 HG23 ILE 65 13.549 3.717 30.164 484 HD11 ILE 65 HD11 ILE 65 10.422 3.818 32.072 485 HD12 ILE 65 HD12 ILE 65 9.683 2.419 31.292 486 HD13 ILE 65 HD13 ILE 65 8.730 3.875 31.578 487 H ASP 66 H ASP 66 12.290 1.707 27.310 488 HA ASP 66 HA ASP 66 15.141 1.806 27.475 489 HB2 ASP 66 HB2 ASP 66 14.095 -0.291 27.923 490 HB3 ASP 66 HB3 ASP 66 13.233 -0.264 26.387 491 H ARG 67 H ARG 67 12.792 1.960 24.852 492 HA ARG 67 HA ARG 67 14.940 2.058 22.884 493 HB2 ARG 67 HB2 ARG 67 11.937 1.944 22.595 494 HB3 ARG 67 HB3 ARG 67 13.029 2.147 21.232 495 HG2 ARG 67 HG2 ARG 67 14.080 0.009 21.748 496 HG3 ARG 67 HG3 ARG 67 12.999 -0.193 23.127 497 HD2 ARG 67 HD2 ARG 67 12.241 -1.471 21.176 498 HD3 ARG 67 HD3 ARG 67 11.076 -0.238 21.650 499 HE ARG 67 HE ARG 67 11.391 0.797 19.632 500 HH11 ARG 67 HH11 ARG 67 13.977 -1.505 20.124 501 HH12 ARG 67 HH12 ARG 67 14.592 -1.355 18.510 502 HH21 ARG 67 HH21 ARG 67 12.140 0.937 17.475 503 HH22 ARG 67 HH22 ARG 67 13.533 0.009 16.989 504 HA PRO 68 HA PRO 68 14.504 6.538 23.072 505 HB2 PRO 68 HB2 PRO 68 16.951 7.124 22.183 506 HB3 PRO 68 HB3 PRO 68 16.710 6.493 23.816 507 HG2 PRO 68 HG2 PRO 68 17.637 5.074 21.355 508 HG3 PRO 68 HG3 PRO 68 18.222 4.922 23.022 509 HD2 PRO 68 HD2 PRO 68 16.439 3.188 21.803 510 HD3 PRO 68 HD3 PRO 68 16.619 3.392 23.557 511 H ASN 69 H ASN 69 14.565 4.366 20.584 512 HA ASN 69 HA ASN 69 14.210 6.468 18.585 513 HB2 ASN 69 HB2 ASN 69 15.755 3.895 18.301 514 HB3 ASN 69 HB3 ASN 69 15.193 4.822 16.925 515 HD21 ASN 69 HD21 ASN 69 15.689 7.395 18.316 516 HD22 ASN 69 HD22 ASN 69 17.402 7.608 18.282 517 H TYR 70 H TYR 70 11.951 5.942 19.493 518 HA TYR 70 HA TYR 70 10.852 4.105 17.473 519 HB2 TYR 70 HB2 TYR 70 9.017 3.555 18.820 520 HB3 TYR 70 HB3 TYR 70 10.349 3.572 19.964 521 HD1 TYR 70 HD1 TYR 70 10.597 5.540 21.505 522 HD2 TYR 70 HD2 TYR 70 7.159 4.975 19.068 523 HE1 TYR 70 HE1 TYR 70 9.347 7.110 22.913 524 HE2 TYR 70 HE2 TYR 70 5.896 6.549 20.468 525 HH TYR 70 HH TYR 70 5.969 7.462 22.736 526 H GLN 71 H GLN 71 8.308 5.052 17.259 527 HA GLN 71 HA GLN 71 8.607 7.025 15.396 528 HB2 GLN 71 HB2 GLN 71 6.160 6.370 17.028 529 HB3 GLN 71 HB3 GLN 71 6.144 7.424 15.624 530 HG2 GLN 71 HG2 GLN 71 5.467 5.424 14.728 531 HG3 GLN 71 HG3 GLN 71 7.196 5.395 14.400 532 HE21 GLN 71 HE21 GLN 71 8.504 3.920 15.470 533 HE22 GLN 71 HE22 GLN 71 7.835 2.602 16.379 534 H PHE 72 H PHE 72 7.135 7.701 18.623 535 HA PHE 72 HA PHE 72 7.571 10.542 18.009 536 HB2 PHE 72 HB2 PHE 72 5.655 9.234 19.943 537 HB3 PHE 72 HB3 PHE 72 5.829 10.971 19.730 538 HD1 PHE 72 HD1 PHE 72 6.240 10.719 16.644 539 HD2 PHE 72 HD2 PHE 72 3.327 9.229 19.366 540 HE1 PHE 72 HE1 PHE 72 4.580 10.657 14.828 541 HE2 PHE 72 HE2 PHE 72 1.663 9.165 17.555 542 HZ PHE 72 HZ PHE 72 2.290 9.878 15.284 543 H THR 73 H THR 73 9.718 8.889 19.157 544 HA THR 73 HA THR 73 9.960 9.269 21.932 545 HB THR 73 HB THR 73 12.432 9.387 20.278 546 HG1 THR 73 HG1 THR 73 11.472 7.850 19.074 547 HG21 THR 73 HG21 THR 73 13.203 7.781 21.953 548 HG22 THR 73 HG22 THR 73 11.585 7.721 22.651 549 HG23 THR 73 HG23 THR 73 12.524 9.213 22.728 550 H ASN 74 H ASN 74 11.184 11.226 19.233 551 HA ASN 74 HA ASN 74 12.028 13.275 21.155 552 HB2 ASN 74 HB2 ASN 74 13.675 12.306 19.486 553 HB3 ASN 74 HB3 ASN 74 12.741 13.095 18.221 554 HD21 ASN 74 HD21 ASN 74 14.383 14.417 17.585 555 HD22 ASN 74 HD22 ASN 74 14.979 15.730 18.544 556 H LEU 75 H LEU 75 9.249 12.780 20.215 557 HA LEU 75 HA LEU 75 8.450 14.717 18.330 558 HB2 LEU 75 HB2 LEU 75 7.065 12.802 19.022 559 HB3 LEU 75 HB3 LEU 75 6.869 13.526 20.605 560 HG LEU 75 HG LEU 75 5.662 15.418 19.594 561 HD11 LEU 75 HD11 LEU 75 4.958 15.310 17.259 562 HD12 LEU 75 HD12 LEU 75 5.941 13.864 17.026 563 HD13 LEU 75 HD13 LEU 75 6.712 15.406 17.400 564 HD21 LEU 75 HD21 LEU 75 3.635 14.174 18.952 565 HD22 LEU 75 HD22 LEU 75 4.382 13.550 20.421 566 HD23 LEU 75 HD23 LEU 75 4.588 12.691 18.895 567 H LYS 76 H LYS 76 9.412 14.990 21.590 568 HA LYS 76 HA LYS 76 8.025 17.356 22.293 569 HB2 LYS 76 HB2 LYS 76 9.858 17.559 24.035 570 HB3 LYS 76 HB3 LYS 76 8.946 16.054 24.064 571 HG2 LYS 76 HG2 LYS 76 10.704 14.804 23.295 572 HG3 LYS 76 HG3 LYS 76 11.453 16.170 22.468 573 HD2 LYS 76 HD2 LYS 76 12.314 17.046 24.474 574 HD3 LYS 76 HD3 LYS 76 11.286 16.004 25.466 575 HE2 LYS 76 HE2 LYS 76 12.518 14.045 24.666 576 HE3 LYS 76 HE3 LYS 76 13.534 15.087 23.673 577 HZ1 LYS 76 HZ1 LYS 76 14.528 16.025 25.560 578 HZ2 LYS 76 HZ2 LYS 76 14.463 14.363 25.892 579 HZ3 LYS 76 HZ3 LYS 76 13.346 15.415 26.607 580 H ALA 77 H ALA 77 10.740 16.772 20.282 581 HA ALA 77 HA ALA 77 11.722 19.504 20.517 582 HB1 ALA 77 HB1 ALA 77 13.343 17.682 20.415 583 HB2 ALA 77 HB2 ALA 77 13.512 18.770 19.033 584 HB3 ALA 77 HB3 ALA 77 12.714 17.208 18.834 585 H ALA 78 H ALA 78 9.164 18.266 19.146 586 HA ALA 78 HA ALA 78 9.383 19.477 16.510 587 HB1 ALA 78 HB1 ALA 78 7.111 18.052 17.907 588 HB2 ALA 78 HB2 ALA 78 8.193 17.371 16.686 589 HB3 ALA 78 HB3 ALA 78 7.057 18.647 16.241 590 H LYS 79 H LYS 79 8.877 21.523 16.145 591 HA LYS 79 HA LYS 79 7.445 22.977 18.249 592 HB2 LYS 79 HB2 LYS 79 8.831 24.345 15.969 593 HB3 LYS 79 HB3 LYS 79 8.542 24.926 17.601 594 HG2 LYS 79 HG2 LYS 79 10.640 23.014 16.642 595 HG3 LYS 79 HG3 LYS 79 10.845 24.555 17.468 596 HD2 LYS 79 HD2 LYS 79 9.613 22.102 18.714 597 HD3 LYS 79 HD3 LYS 79 11.306 22.557 18.886 598 HE2 LYS 79 HE2 LYS 79 9.088 24.424 19.639 599 HE3 LYS 79 HE3 LYS 79 9.683 23.193 20.753 600 HZ1 LYS 79 HZ1 LYS 79 11.269 25.390 19.528 601 HZ2 LYS 79 HZ2 LYS 79 11.920 24.148 20.480 602 HZ3 LYS 79 HZ3 LYS 79 10.823 25.244 21.161 603 H LYS 80 H LYS 80 6.704 25.181 16.655 604 HA LYS 80 HA LYS 80 4.132 24.218 15.964 605 HB2 LYS 80 HB2 LYS 80 3.613 26.541 15.427 606 HB3 LYS 80 HB3 LYS 80 4.462 26.413 16.959 607 HG2 LYS 80 HG2 LYS 80 6.575 26.947 15.623 608 HG3 LYS 80 HG3 LYS 80 5.475 27.444 14.335 609 HD2 LYS 80 HD2 LYS 80 5.607 28.561 17.135 610 HD3 LYS 80 HD3 LYS 80 6.101 29.373 15.651 611 HE2 LYS 80 HE2 LYS 80 3.290 28.460 16.236 612 HE3 LYS 80 HE3 LYS 80 3.883 30.094 16.522 613 HZ1 LYS 80 HZ1 LYS 80 3.731 28.720 13.893 614 HZ2 LYS 80 HZ2 LYS 80 4.381 30.263 14.147 615 HZ3 LYS 80 HZ3 LYS 80 2.734 29.982 14.429 616 H GLY 81 H GLY 81 6.981 24.701 14.083 617 HA2 GLY 81 HA2 GLY 81 5.376 24.189 11.656 618 HA3 GLY 81 HA3 GLY 81 6.715 25.328 11.649 619 H SER 82 H SER 82 6.317 22.051 12.964 620 HA SER 82 HA SER 82 8.961 21.299 12.319 621 HB2 SER 82 HB2 SER 82 6.556 19.653 13.099 622 HB3 SER 82 HB3 SER 82 8.213 19.050 13.045 623 HG SER 82 HG SER 82 8.737 20.720 14.579 624 H MET 83 H MET 83 6.424 21.665 10.222 625 HA MET 83 HA MET 83 5.545 20.599 8.423 626 HB2 MET 83 HB2 MET 83 8.507 20.461 7.957 627 HB3 MET 83 HB3 MET 83 7.333 19.984 6.734 628 HG2 MET 83 HG2 MET 83 7.561 22.688 8.022 629 HG3 MET 83 HG3 MET 83 8.060 22.261 6.398 630 HE1 MET 83 HE1 MET 83 6.278 21.402 4.520 631 HE2 MET 83 HE2 MET 83 4.527 21.490 4.738 632 HE3 MET 83 HE3 MET 83 5.466 20.279 5.614 633 H VAL 84 H VAL 84 4.500 18.895 9.303 634 HA VAL 84 HA VAL 84 5.862 16.366 9.683 635 HB VAL 84 HB VAL 84 2.924 17.039 9.886 636 HG11 VAL 84 HG11 VAL 84 4.449 14.669 10.948 637 HG12 VAL 84 HG12 VAL 84 3.366 14.656 9.557 638 HG13 VAL 84 HG13 VAL 84 2.729 14.990 11.167 639 HG21 VAL 84 HG21 VAL 84 4.276 18.346 11.451 640 HG22 VAL 84 HG22 VAL 84 4.990 16.857 12.072 641 HG23 VAL 84 HG23 VAL 84 3.266 17.167 12.283 642 H TYR 85 H TYR 85 6.069 14.896 8.117 643 HA TYR 85 HA TYR 85 4.335 15.144 5.755 644 HB2 TYR 85 HB2 TYR 85 7.040 13.801 5.958 645 HB3 TYR 85 HB3 TYR 85 6.093 14.017 4.490 646 HD1 TYR 85 HD1 TYR 85 8.502 15.479 6.710 647 HD2 TYR 85 HD2 TYR 85 5.668 16.378 3.672 648 HE1 TYR 85 HE1 TYR 85 9.585 17.658 6.355 649 HE2 TYR 85 HE2 TYR 85 6.742 18.558 3.302 650 HH TYR 85 HH TYR 85 9.771 19.395 4.810 651 H PHE 86 H PHE 86 2.729 13.746 5.773 652 HA PHE 86 HA PHE 86 3.044 11.214 7.199 653 HB2 PHE 86 HB2 PHE 86 1.016 12.855 7.379 654 HB3 PHE 86 HB3 PHE 86 0.509 12.120 5.862 655 HD1 PHE 86 HD1 PHE 86 -1.497 11.164 6.727 656 HD2 PHE 86 HD2 PHE 86 2.264 10.255 8.501 657 HE1 PHE 86 HE1 PHE 86 -2.537 9.325 7.987 658 HE2 PHE 86 HE2 PHE 86 1.230 8.412 9.757 659 HZ PHE 86 HZ PHE 86 -1.172 7.946 9.502 660 H LYS 87 H LYS 87 3.860 9.611 6.069 661 HA LYS 87 HA LYS 87 3.657 9.612 3.160 662 HB2 LYS 87 HB2 LYS 87 5.645 8.878 5.005 663 HB3 LYS 87 HB3 LYS 87 5.097 7.370 4.290 664 HG2 LYS 87 HG2 LYS 87 6.962 8.201 3.043 665 HG3 LYS 87 HG3 LYS 87 5.507 8.327 2.052 666 HD2 LYS 87 HD2 LYS 87 5.326 10.687 2.542 667 HD3 LYS 87 HD3 LYS 87 6.700 10.591 3.647 668 HE2 LYS 87 HE2 LYS 87 7.359 11.521 1.488 669 HE3 LYS 87 HE3 LYS 87 8.160 9.979 1.794 670 HZ1 LYS 87 HZ1 LYS 87 7.282 10.210 -0.492 671 HZ2 LYS 87 HZ2 LYS 87 5.717 10.292 0.144 672 HZ3 LYS 87 HZ3 LYS 87 6.638 8.882 0.340 673 H VAL 88 H VAL 88 1.459 8.998 2.951 674 HA VAL 88 HA VAL 88 0.871 6.237 3.811 675 HB VAL 88 HB VAL 88 -1.553 6.875 3.479 676 HG11 VAL 88 HG11 VAL 88 -1.690 8.036 5.641 677 HG12 VAL 88 HG12 VAL 88 0.050 8.330 5.571 678 HG13 VAL 88 HG13 VAL 88 -0.563 6.680 5.674 679 HG21 VAL 88 HG21 VAL 88 -0.384 9.662 3.421 680 HG22 VAL 88 HG22 VAL 88 -2.096 9.270 3.571 681 HG23 VAL 88 HG23 VAL 88 -1.227 8.859 2.095 682 H GLY 89 H GLY 89 0.443 4.720 2.320 683 HA2 GLY 89 HA2 GLY 89 0.310 3.736 0.242 684 HA3 GLY 89 HA3 GLY 89 -0.626 5.145 -0.234 685 H ASN 90 H ASN 90 2.541 5.626 0.962 686 HA ASN 90 HA ASN 90 4.518 6.230 0.077 687 HB2 ASN 90 HB2 ASN 90 3.373 4.878 -2.327 688 HB3 ASN 90 HB3 ASN 90 4.862 5.804 -2.465 689 HD21 ASN 90 HD21 ASN 90 3.356 2.985 -1.087 690 HD22 ASN 90 HD22 ASN 90 4.817 2.208 -0.575 691 H GLU 91 H GLU 91 1.812 7.825 -0.199 692 HA GLU 91 HA GLU 91 2.905 9.896 -1.970 693 HB2 GLU 91 HB2 GLU 91 0.804 10.963 -1.956 694 HB3 GLU 91 HB3 GLU 91 0.437 9.249 -2.063 695 HG2 GLU 91 HG2 GLU 91 -0.292 9.149 0.157 696 HG3 GLU 91 HG3 GLU 91 0.440 10.702 0.558 697 H THR 92 H THR 92 2.309 12.229 -0.886 698 HA THR 92 HA THR 92 3.444 12.153 1.828 699 HB THR 92 HB THR 92 4.405 14.139 -0.225 700 HG1 THR 92 HG1 THR 92 5.234 12.396 -1.150 701 HG21 THR 92 HG21 THR 92 5.578 13.117 2.365 702 HG22 THR 92 HG22 THR 92 4.816 14.690 2.115 703 HG23 THR 92 HG23 THR 92 6.332 14.300 1.298 704 H ARG 93 H ARG 93 2.077 13.224 3.122 705 HA ARG 93 HA ARG 93 0.804 15.652 2.040 706 HB2 ARG 93 HB2 ARG 93 -0.226 13.837 4.233 707 HB3 ARG 93 HB3 ARG 93 -1.027 15.291 3.643 708 HG2 ARG 93 HG2 ARG 93 -1.167 14.259 1.406 709 HG3 ARG 93 HG3 ARG 93 -0.468 12.787 2.073 710 HD2 ARG 93 HD2 ARG 93 -2.394 12.603 3.607 711 HD3 ARG 93 HD3 ARG 93 -3.096 14.045 2.863 712 HE ARG 93 HE ARG 93 -2.440 12.035 0.935 713 HH11 ARG 93 HH11 ARG 93 -4.909 12.973 3.249 714 HH12 ARG 93 HH12 ARG 93 -6.175 12.142 2.400 715 HH21 ARG 93 HH21 ARG 93 -4.080 10.922 -0.133 716 HH22 ARG 93 HH22 ARG 93 -5.713 10.993 0.481 717 H LYS 94 H LYS 94 1.051 17.537 3.118 718 HA LYS 94 HA LYS 94 3.097 17.500 5.222 719 HB2 LYS 94 HB2 LYS 94 3.432 19.898 4.551 720 HB3 LYS 94 HB3 LYS 94 3.799 18.736 3.290 721 HG2 LYS 94 HG2 LYS 94 1.297 19.181 2.610 722 HG3 LYS 94 HG3 LYS 94 1.561 20.678 3.504 723 HD2 LYS 94 HD2 LYS 94 3.154 19.682 1.148 724 HD3 LYS 94 HD3 LYS 94 2.003 21.016 1.148 725 HE2 LYS 94 HE2 LYS 94 3.505 22.068 2.930 726 HE3 LYS 94 HE3 LYS 94 4.699 20.861 2.453 727 HZ1 LYS 94 HZ1 LYS 94 4.320 21.725 0.109 728 HZ2 LYS 94 HZ2 LYS 94 5.185 22.723 1.170 729 HZ3 LYS 94 HZ3 LYS 94 3.555 23.056 0.837 730 H TYR 95 H TYR 95 2.706 18.249 7.205 731 HA TYR 95 HA TYR 95 0.216 19.743 7.683 732 HB2 TYR 95 HB2 TYR 95 1.274 17.453 9.357 733 HB3 TYR 95 HB3 TYR 95 -0.142 18.426 9.736 734 HD1 TYR 95 HD1 TYR 95 -2.213 18.117 8.551 735 HD2 TYR 95 HD2 TYR 95 1.214 15.818 7.532 736 HE1 TYR 95 HE1 TYR 95 -3.623 16.616 7.218 737 HE2 TYR 95 HE2 TYR 95 -0.193 14.306 6.196 738 HH TYR 95 HH TYR 95 -3.378 15.085 5.331 739 H LYS 96 H LYS 96 0.253 21.232 9.359 740 HA LYS 96 HA LYS 96 2.946 21.876 10.388 741 HB2 LYS 96 HB2 LYS 96 1.213 23.457 8.930 742 HB3 LYS 96 HB3 LYS 96 0.885 23.956 10.583 743 HG2 LYS 96 HG2 LYS 96 2.564 25.367 9.504 744 HG3 LYS 96 HG3 LYS 96 3.224 24.517 10.905 745 HD2 LYS 96 HD2 LYS 96 4.673 23.341 9.657 746 HD3 LYS 96 HD3 LYS 96 3.494 23.071 8.374 747 HE2 LYS 96 HE2 LYS 96 5.271 24.361 7.458 748 HE3 LYS 96 HE3 LYS 96 3.873 25.424 7.632 749 HZ1 LYS 96 HZ1 LYS 96 5.853 26.553 8.344 750 HZ2 LYS 96 HZ2 LYS 96 6.238 25.314 9.427 751 HZ3 LYS 96 HZ3 LYS 96 4.874 26.278 9.704 752 H MET 97 H MET 97 3.241 21.921 12.565 753 HA MET 97 HA MET 97 1.142 20.984 14.286 754 HB2 MET 97 HB2 MET 97 3.979 21.874 14.816 755 HB3 MET 97 HB3 MET 97 2.885 21.374 16.097 756 HG2 MET 97 HG2 MET 97 3.752 19.668 13.775 757 HG3 MET 97 HG3 MET 97 4.402 19.587 15.413 758 HE1 MET 97 HE1 MET 97 3.454 17.007 14.095 759 HE2 MET 97 HE2 MET 97 2.376 16.280 15.284 760 HE3 MET 97 HE3 MET 97 3.882 17.037 15.807 761 H THR 98 H THR 98 -0.236 22.858 13.663 762 HA THR 98 HA THR 98 0.543 25.436 14.710 763 HB THR 98 HB THR 98 -0.596 25.354 12.565 764 HG1 THR 98 HG1 THR 98 -1.414 26.829 14.673 765 HG21 THR 98 HG21 THR 98 -2.908 24.167 14.097 766 HG22 THR 98 HG22 THR 98 -1.958 23.382 12.835 767 HG23 THR 98 HG23 THR 98 -2.993 24.753 12.435 768 H SER 99 H SER 99 -1.012 22.709 15.969 769 HA SER 99 HA SER 99 -1.840 24.339 18.253 770 HB2 SER 99 HB2 SER 99 -3.509 22.142 17.023 771 HB3 SER 99 HB3 SER 99 -3.855 22.929 18.561 772 HG SER 99 HG SER 99 -3.449 24.768 16.631 773 H ILE 100 H ILE 100 -0.106 23.752 19.427 774 HA ILE 100 HA ILE 100 0.197 20.901 20.106 775 HB ILE 100 HB ILE 100 2.161 23.171 20.504 776 HG12 ILE 100 HG12 ILE 100 2.276 20.852 18.558 777 HG13 ILE 100 HG13 ILE 100 1.841 22.502 18.124 778 HG21 ILE 100 HG21 ILE 100 2.452 20.206 21.004 779 HG22 ILE 100 HG22 ILE 100 2.380 21.474 22.227 780 HG23 ILE 100 HG23 ILE 100 3.751 21.393 21.120 781 HD11 ILE 100 HD11 ILE 100 4.492 21.623 19.247 782 HD12 ILE 100 HD12 ILE 100 4.055 23.268 18.785 783 HD13 ILE 100 HD13 ILE 100 4.154 22.004 17.559 784 H ARG 101 H ARG 101 -0.679 20.350 22.034 785 HA ARG 101 HA ARG 101 -0.417 22.205 24.257 786 HB2 ARG 101 HB2 ARG 101 -2.914 21.877 24.781 787 HB3 ARG 101 HB3 ARG 101 -2.471 23.045 23.545 788 HG2 ARG 101 HG2 ARG 101 -3.012 21.432 21.808 789 HG3 ARG 101 HG3 ARG 101 -3.413 20.234 23.037 790 HD2 ARG 101 HD2 ARG 101 -5.299 21.427 23.746 791 HD3 ARG 101 HD3 ARG 101 -4.777 22.900 22.930 792 HE ARG 101 HE ARG 101 -5.173 20.814 21.057 793 HH11 ARG 101 HH11 ARG 101 -6.979 22.960 23.132 794 HH12 ARG 101 HH12 ARG 101 -8.341 23.075 22.058 795 HH21 ARG 101 HH21 ARG 101 -6.961 20.959 19.624 796 HH22 ARG 101 HH22 ARG 101 -8.313 21.959 20.048 797 H ASP 102 H ASP 102 -1.235 21.273 26.285 798 HA ASP 102 HA ASP 102 -0.878 18.349 26.330 799 HB2 ASP 102 HB2 ASP 102 1.037 19.658 27.292 800 HB3 ASP 102 HB3 ASP 102 -0.076 20.336 28.474 801 H VAL 103 H VAL 103 -2.802 17.437 26.778 802 HA VAL 103 HA VAL 103 -4.689 19.035 28.372 803 HB VAL 103 HB VAL 103 -6.516 17.898 27.281 804 HG11 VAL 103 HG11 VAL 103 -6.183 18.714 24.974 805 HG12 VAL 103 HG12 VAL 103 -4.471 18.943 25.332 806 HG13 VAL 103 HG13 VAL 103 -5.686 19.882 26.199 807 HG21 VAL 103 HG21 VAL 103 -4.427 16.377 25.724 808 HG22 VAL 103 HG22 VAL 103 -6.167 16.328 25.439 809 HG23 VAL 103 HG23 VAL 103 -5.501 15.703 26.949 810 H LYS 104 H LYS 104 -6.395 17.654 29.440 811 HA LYS 104 HA LYS 104 -5.247 15.283 30.716 812 HB2 LYS 104 HB2 LYS 104 -6.316 16.447 32.896 813 HB3 LYS 104 HB3 LYS 104 -4.632 16.669 32.441 814 HG2 LYS 104 HG2 LYS 104 -6.731 18.580 31.485 815 HG3 LYS 104 HG3 LYS 104 -6.054 18.719 33.109 816 HD2 LYS 104 HD2 LYS 104 -3.826 18.954 32.203 817 HD3 LYS 104 HD3 LYS 104 -4.423 18.666 30.570 818 HE2 LYS 104 HE2 LYS 104 -5.829 20.715 30.807 819 HE3 LYS 104 HE3 LYS 104 -5.019 21.028 32.344 820 HZ1 LYS 104 HZ1 LYS 104 -3.789 20.941 29.647 821 HZ2 LYS 104 HZ2 LYS 104 -2.887 20.990 31.077 822 HZ3 LYS 104 HZ3 LYS 104 -3.911 22.283 30.678 823 HA PRO 105 HA PRO 105 -9.555 13.806 30.867 824 HB2 PRO 105 HB2 PRO 105 -9.286 13.730 33.836 825 HB3 PRO 105 HB3 PRO 105 -9.838 12.466 32.727 826 HG2 PRO 105 HG2 PRO 105 -7.419 12.341 33.837 827 HG3 PRO 105 HG3 PRO 105 -7.676 11.842 32.155 828 HD2 PRO 105 HD2 PRO 105 -6.433 14.332 33.228 829 HD3 PRO 105 HD3 PRO 105 -6.019 13.398 31.776 830 H THR 106 H THR 106 -8.311 16.202 33.001 831 HA THR 106 HA THR 106 -10.708 17.398 33.866 832 HB THR 106 HB THR 106 -8.018 18.731 33.703 833 HG1 THR 106 HG1 THR 106 -8.833 16.807 35.661 834 HG21 THR 106 HG21 THR 106 -8.678 19.619 35.863 835 HG22 THR 106 HG22 THR 106 -10.165 18.674 35.805 836 HG23 THR 106 HG23 THR 106 -9.902 19.976 34.648 837 H ASP 107 H ASP 107 -9.080 17.475 30.879 838 HA ASP 107 HA ASP 107 -10.026 20.147 30.169 839 HB2 ASP 107 HB2 ASP 107 -7.773 19.517 29.415 840 HB3 ASP 107 HB3 ASP 107 -8.435 18.125 28.562 841 H VAL 108 H VAL 108 -11.823 20.499 29.033 842 HA VAL 108 HA VAL 108 -13.308 18.134 28.092 843 HB VAL 108 HB VAL 108 -15.372 19.505 28.450 844 HG11 VAL 108 HG11 VAL 108 -14.693 17.826 30.072 845 HG12 VAL 108 HG12 VAL 108 -15.414 19.215 30.886 846 HG13 VAL 108 HG13 VAL 108 -13.663 19.006 30.882 847 HG21 VAL 108 HG21 VAL 108 -13.470 21.365 29.873 848 HG22 VAL 108 HG22 VAL 108 -15.230 21.459 29.935 849 HG23 VAL 108 HG23 VAL 108 -14.386 21.727 28.409 850 H GLU 109 H GLU 109 -11.350 19.826 26.633 851 HA GLU 109 HA GLU 109 -13.139 20.947 24.583 852 HB2 GLU 109 HB2 GLU 109 -10.192 21.453 25.010 853 HB3 GLU 109 HB3 GLU 109 -11.220 22.245 23.821 854 HG2 GLU 109 HG2 GLU 109 -11.553 22.416 26.798 855 HG3 GLU 109 HG3 GLU 109 -10.801 23.646 25.780 856 H VAL 110 H VAL 110 -11.264 18.296 25.301 857 HA VAL 110 HA VAL 110 -10.364 17.839 22.559 858 HB VAL 110 HB VAL 110 -9.318 15.758 23.493 859 HG11 VAL 110 HG11 VAL 110 -7.514 16.962 24.644 860 HG12 VAL 110 HG12 VAL 110 -8.557 18.380 24.774 861 HG13 VAL 110 HG13 VAL 110 -8.044 17.803 23.188 862 HG21 VAL 110 HG21 VAL 110 -10.219 16.938 26.120 863 HG22 VAL 110 HG22 VAL 110 -9.080 15.602 25.942 864 HG23 VAL 110 HG23 VAL 110 -10.755 15.410 25.418 865 H LEU 111 H LEU 111 -13.049 17.220 24.432 866 HA LEU 111 HA LEU 111 -13.855 15.045 22.643 867 HB2 LEU 111 HB2 LEU 111 -15.716 14.727 24.410 868 HB3 LEU 111 HB3 LEU 111 -14.115 14.110 24.737 869 HG LEU 111 HG LEU 111 -15.278 15.184 26.673 870 HD11 LEU 111 HD11 LEU 111 -13.342 16.362 27.528 871 HD12 LEU 111 HD12 LEU 111 -12.651 16.392 25.908 872 HD13 LEU 111 HD13 LEU 111 -12.899 14.854 26.729 873 HD21 LEU 111 HD21 LEU 111 -15.309 17.612 26.846 874 HD22 LEU 111 HD22 LEU 111 -16.358 17.029 25.553 875 HD23 LEU 111 HD23 LEU 111 -14.785 17.726 25.165 876 H ASP 112 H ASP 112 -13.874 18.149 22.673 877 HA ASP 112 HA ASP 112 -16.689 18.670 22.159 878 HB2 ASP 112 HB2 ASP 112 -15.341 20.357 23.377 879 HB3 ASP 112 HB3 ASP 112 -14.280 20.509 21.981 880 H GLU 113 H GLU 113 -17.291 19.734 20.111 881 HA GLU 113 HA GLU 113 -16.766 18.184 17.898 882 HB2 GLU 113 HB2 GLU 113 -17.639 20.161 16.572 883 HB3 GLU 113 HB3 GLU 113 -18.681 19.570 17.860 884 HG2 GLU 113 HG2 GLU 113 -18.257 21.404 19.215 885 HG3 GLU 113 HG3 GLU 113 -16.782 21.827 18.348 886 H GLN 114 H GLN 114 -15.082 17.949 16.594 887 HA GLN 114 HA GLN 114 -12.857 19.755 16.652 888 HB2 GLN 114 HB2 GLN 114 -13.478 17.439 14.808 889 HB3 GLN 114 HB3 GLN 114 -11.951 18.311 14.847 890 HG2 GLN 114 HG2 GLN 114 -13.141 16.679 17.078 891 HG3 GLN 114 HG3 GLN 114 -11.772 16.236 16.063 892 HE21 GLN 114 HE21 GLN 114 -12.868 18.112 18.745 893 HE22 GLN 114 HE22 GLN 114 -11.313 18.661 19.264 894 H LYS 115 H LYS 115 -12.457 21.419 15.324 895 HA LYS 115 HA LYS 115 -14.676 22.465 13.908 896 HB2 LYS 115 HB2 LYS 115 -11.903 23.424 14.440 897 HB3 LYS 115 HB3 LYS 115 -12.896 24.253 13.248 898 HG2 LYS 115 HG2 LYS 115 -13.070 25.354 15.395 899 HG3 LYS 115 HG3 LYS 115 -14.617 24.633 14.953 900 HD2 LYS 115 HD2 LYS 115 -13.889 22.633 16.369 901 HD3 LYS 115 HD3 LYS 115 -12.627 23.693 16.998 902 HE2 LYS 115 HE2 LYS 115 -14.315 25.270 17.765 903 HE3 LYS 115 HE3 LYS 115 -15.589 24.246 17.102 904 HZ1 LYS 115 HZ1 LYS 115 -15.442 23.796 19.409 905 HZ2 LYS 115 HZ2 LYS 115 -13.759 23.623 19.350 906 HZ3 LYS 115 HZ3 LYS 115 -14.757 22.464 18.617 907 H GLY 116 H GLY 116 -14.694 23.259 11.753 908 HA2 GLY 116 HA2 GLY 116 -14.086 21.160 9.925 909 HA3 GLY 116 HA3 GLY 116 -14.810 22.712 9.529 910 H LYS 117 H LYS 117 -11.708 21.675 10.840 911 HA LYS 117 HA LYS 117 -10.233 23.449 9.100 912 HB2 LYS 117 HB2 LYS 117 -9.347 21.246 10.975 913 HB3 LYS 117 HB3 LYS 117 -8.244 22.295 10.096 914 HG2 LYS 117 HG2 LYS 117 -10.318 23.308 12.023 915 HG3 LYS 117 HG3 LYS 117 -8.654 22.931 12.476 916 HD2 LYS 117 HD2 LYS 117 -7.993 24.929 11.771 917 HD3 LYS 117 HD3 LYS 117 -8.607 24.577 10.156 918 HE2 LYS 117 HE2 LYS 117 -10.295 25.626 12.424 919 HE3 LYS 117 HE3 LYS 117 -9.553 26.644 11.192 920 HZ1 LYS 117 HZ1 LYS 117 -11.502 24.472 10.645 921 HZ2 LYS 117 HZ2 LYS 117 -10.841 25.533 9.504 922 HZ3 LYS 117 HZ3 LYS 117 -11.884 26.117 10.707 923 H ASP 118 H ASP 118 -8.159 22.150 8.098 924 HA ASP 118 HA ASP 118 -9.278 20.344 6.127 925 HB2 ASP 118 HB2 ASP 118 -7.407 22.195 5.822 926 HB3 ASP 118 HB3 ASP 118 -6.337 20.909 6.366 927 H LYS 119 H LYS 119 -7.098 18.595 5.760 928 HA LYS 119 HA LYS 119 -7.582 16.583 7.652 929 HB2 LYS 119 HB2 LYS 119 -5.581 17.015 5.487 930 HB3 LYS 119 HB3 LYS 119 -5.219 15.784 6.688 931 HG2 LYS 119 HG2 LYS 119 -6.295 14.798 4.768 932 HG3 LYS 119 HG3 LYS 119 -7.340 14.673 6.181 933 HD2 LYS 119 HD2 LYS 119 -8.912 15.438 4.762 934 HD3 LYS 119 HD3 LYS 119 -8.205 17.010 5.142 935 HE2 LYS 119 HE2 LYS 119 -7.427 15.269 2.801 936 HE3 LYS 119 HE3 LYS 119 -8.522 16.645 2.713 937 HZ1 LYS 119 HZ1 LYS 119 -5.662 16.781 3.533 938 HZ2 LYS 119 HZ2 LYS 119 -6.721 18.096 3.390 939 HZ3 LYS 119 HZ3 LYS 119 -6.271 17.210 2.017 940 H GLN 120 H GLN 120 -6.933 16.430 9.680 941 HA GLN 120 HA GLN 120 -4.417 17.774 10.410 942 HB2 GLN 120 HB2 GLN 120 -5.311 18.393 12.541 943 HB3 GLN 120 HB3 GLN 120 -6.440 18.933 11.310 944 HG2 GLN 120 HG2 GLN 120 -7.866 16.998 11.777 945 HG3 GLN 120 HG3 GLN 120 -6.736 16.477 13.026 946 HE21 GLN 120 HE21 GLN 120 -8.158 16.640 14.710 947 HE22 GLN 120 HE22 GLN 120 -8.788 18.142 15.284 948 H LEU 121 H LEU 121 -2.942 16.628 11.467 949 HA LEU 121 HA LEU 121 -3.559 13.848 12.119 950 HB2 LEU 121 HB2 LEU 121 -0.946 15.359 12.082 951 HB3 LEU 121 HB3 LEU 121 -1.103 13.672 12.530 952 HG LEU 121 HG LEU 121 -1.676 14.856 9.813 953 HD11 LEU 121 HD11 LEU 121 0.463 12.943 10.731 954 HD12 LEU 121 HD12 LEU 121 0.704 14.656 10.387 955 HD13 LEU 121 HD13 LEU 121 0.231 13.552 9.094 956 HD21 LEU 121 HD21 LEU 121 -3.225 13.046 10.291 957 HD22 LEU 121 HD22 LEU 121 -1.887 12.009 10.783 958 HD23 LEU 121 HD23 LEU 121 -2.026 12.532 9.104 959 H THR 122 H THR 122 -4.287 13.433 14.072 960 HA THR 122 HA THR 122 -3.675 15.260 16.265 961 HB THR 122 HB THR 122 -5.539 12.879 16.316 962 HG1 THR 122 HG1 THR 122 -7.095 14.134 15.513 963 HG21 THR 122 HG21 THR 122 -4.895 13.734 18.508 964 HG22 THR 122 HG22 THR 122 -6.587 14.103 18.172 965 HG23 THR 122 HG23 THR 122 -5.362 15.363 18.023 966 H LEU 123 H LEU 123 -1.544 14.705 16.772 967 HA LEU 123 HA LEU 123 -0.882 11.929 17.280 968 HB2 LEU 123 HB2 LEU 123 0.764 14.405 17.799 969 HB3 LEU 123 HB3 LEU 123 1.342 12.751 17.851 970 HG LEU 123 HG LEU 123 0.514 14.347 15.438 971 HD11 LEU 123 HD11 LEU 123 3.061 12.925 16.190 972 HD12 LEU 123 HD12 LEU 123 2.789 14.668 16.207 973 HD13 LEU 123 HD13 LEU 123 2.768 13.787 14.679 974 HD21 LEU 123 HD21 LEU 123 1.075 11.387 15.585 975 HD22 LEU 123 HD22 LEU 123 0.896 12.327 14.104 976 HD23 LEU 123 HD23 LEU 123 -0.474 12.140 15.200 977 H ILE 124 H ILE 124 -1.734 11.066 19.032 978 HA ILE 124 HA ILE 124 -2.089 12.688 21.439 979 HB ILE 124 HB ILE 124 -3.006 9.845 20.998 980 HG12 ILE 124 HG12 ILE 124 -4.615 12.368 20.545 981 HG13 ILE 124 HG13 ILE 124 -3.889 11.424 19.248 982 HG21 ILE 124 HG21 ILE 124 -4.620 10.393 22.759 983 HG22 ILE 124 HG22 ILE 124 -3.924 12.008 22.890 984 HG23 ILE 124 HG23 ILE 124 -2.960 10.595 23.316 985 HD11 ILE 124 HD11 ILE 124 -6.231 10.894 19.485 986 HD12 ILE 124 HD12 ILE 124 -5.988 10.477 21.180 987 HD13 ILE 124 HD13 ILE 124 -5.244 9.497 19.916 988 H THR 125 H THR 125 -0.225 12.789 22.545 989 HA THR 125 HA THR 125 1.418 10.379 22.804 990 HB THR 125 HB THR 125 2.136 13.148 23.767 991 HG1 THR 125 HG1 THR 125 1.594 12.699 21.343 992 HG21 THR 125 HG21 THR 125 3.796 10.759 22.944 993 HG22 THR 125 HG22 THR 125 3.512 11.298 24.600 994 HG23 THR 125 HG23 THR 125 4.429 12.315 23.488 995 H CYS 126 H CYS 126 0.406 9.185 24.353 996 HA CYS 126 HA CYS 126 -0.256 10.481 26.882 997 HB2 CYS 126 HB2 CYS 126 -0.819 7.655 25.955 998 HB3 CYS 126 HB3 CYS 126 -1.414 8.395 27.439 999 H ASP 127 H ASP 127 1.745 10.843 27.741 1000 HA ASP 127 HA ASP 127 3.532 8.533 28.051 1001 HB2 ASP 127 HB2 ASP 127 5.342 10.125 28.367 1002 HB3 ASP 127 HB3 ASP 127 4.465 10.530 26.895 1003 H ASP 128 H ASP 128 1.390 10.434 29.749 1004 HA ASP 128 HA ASP 128 2.731 9.882 32.298 1005 HB2 ASP 128 HB2 ASP 128 2.364 12.292 31.813 1006 HB3 ASP 128 HB3 ASP 128 0.630 11.986 31.739 1007 H TYR 129 H TYR 129 1.987 7.917 32.702 1008 HA TYR 129 HA TYR 129 -0.914 7.461 32.736 1009 HB2 TYR 129 HB2 TYR 129 0.328 5.921 31.312 1010 HB3 TYR 129 HB3 TYR 129 1.405 5.514 32.640 1011 HD1 TYR 129 HD1 TYR 129 -2.121 5.295 31.517 1012 HD2 TYR 129 HD2 TYR 129 0.878 3.761 34.103 1013 HE1 TYR 129 HE1 TYR 129 -3.600 3.425 32.111 1014 HE2 TYR 129 HE2 TYR 129 -0.592 1.891 34.717 1015 HH TYR 129 HH TYR 129 -2.955 1.316 34.730 1016 H ASN 130 H ASN 130 -1.893 7.420 34.661 1017 HA ASN 130 HA ASN 130 -0.276 7.117 37.070 1018 HB2 ASN 130 HB2 ASN 130 -1.970 8.912 37.018 1019 HB3 ASN 130 HB3 ASN 130 -3.235 7.709 36.790 1020 HD21 ASN 130 HD21 ASN 130 -4.168 8.606 38.732 1021 HD22 ASN 130 HD22 ASN 130 -3.573 8.114 40.282 1022 H GLU 131 H GLU 131 0.241 5.098 37.463 1023 HA GLU 131 HA GLU 131 -1.223 2.851 36.583 1024 HB2 GLU 131 HB2 GLU 131 1.002 2.993 38.621 1025 HB3 GLU 131 HB3 GLU 131 0.458 1.544 37.787 1026 HG2 GLU 131 HG2 GLU 131 1.128 2.563 35.646 1027 HG3 GLU 131 HG3 GLU 131 1.745 3.957 36.530 1028 H LYS 132 H LYS 132 -1.817 4.837 39.219 1029 HA LYS 132 HA LYS 132 -2.581 3.165 41.266 1030 HB2 LYS 132 HB2 LYS 132 -2.611 5.805 40.859 1031 HB3 LYS 132 HB3 LYS 132 -4.316 5.483 40.591 1032 HG2 LYS 132 HG2 LYS 132 -2.943 4.478 43.037 1033 HG3 LYS 132 HG3 LYS 132 -3.502 6.143 42.929 1034 HD2 LYS 132 HD2 LYS 132 -5.511 5.434 43.576 1035 HD3 LYS 132 HD3 LYS 132 -5.641 4.598 42.029 1036 HE2 LYS 132 HE2 LYS 132 -6.091 3.069 43.865 1037 HE3 LYS 132 HE3 LYS 132 -4.612 2.607 43.026 1038 HZ1 LYS 132 HZ1 LYS 132 -4.499 2.543 45.509 1039 HZ2 LYS 132 HZ2 LYS 132 -4.626 4.234 45.508 1040 HZ3 LYS 132 HZ3 LYS 132 -3.298 3.480 44.765 1041 H THR 133 H THR 133 -4.316 4.013 38.313 1042 HA THR 133 HA THR 133 -6.060 1.738 38.713 1043 HB THR 133 HB THR 133 -7.333 3.425 39.858 1044 HG1 THR 133 HG1 THR 133 -8.259 1.985 37.943 1045 HG21 THR 133 HG21 THR 133 -6.346 5.408 38.860 1046 HG22 THR 133 HG22 THR 133 -8.103 5.457 38.720 1047 HG23 THR 133 HG23 THR 133 -7.117 5.035 37.321 1048 H GLY 134 H GLY 134 -4.744 4.209 36.630 1049 HA2 GLY 134 HA2 GLY 134 -4.168 3.316 34.388 1050 HA3 GLY 134 HA3 GLY 134 -5.804 2.680 34.339 1051 H VAL 135 H VAL 135 -4.859 5.860 35.515 1052 HA VAL 135 HA VAL 135 -6.490 7.033 33.372 1053 HB VAL 135 HB VAL 135 -5.631 8.222 36.021 1054 HG11 VAL 135 HG11 VAL 135 -7.113 10.094 35.460 1055 HG12 VAL 135 HG12 VAL 135 -7.396 9.388 33.869 1056 HG13 VAL 135 HG13 VAL 135 -5.783 9.948 34.310 1057 HG21 VAL 135 HG21 VAL 135 -7.355 6.491 36.218 1058 HG22 VAL 135 HG22 VAL 135 -8.358 7.366 35.062 1059 HG23 VAL 135 HG23 VAL 135 -7.979 8.089 36.626 1060 H TRP 136 H TRP 136 -5.455 8.017 31.761 1061 HA TRP 136 HA TRP 136 -2.656 8.722 32.017 1062 HB2 TRP 136 HB2 TRP 136 -4.483 9.269 29.667 1063 HB3 TRP 136 HB3 TRP 136 -2.722 9.231 29.667 1064 HD1 TRP 136 HD1 TRP 136 -5.756 6.868 29.822 1065 HE1 TRP 136 HE1 TRP 136 -4.998 4.519 29.093 1066 HE3 TRP 136 HE3 TRP 136 -0.728 7.722 29.474 1067 HZ2 TRP 136 HZ2 TRP 136 -2.580 3.210 28.444 1068 HZ3 TRP 136 HZ3 TRP 136 0.740 5.871 28.786 1069 HH2 TRP 136 HH2 TRP 136 -0.172 3.662 28.283 1070 H GLU 137 H GLU 137 -2.565 10.400 33.455 1071 HA GLU 137 HA GLU 137 -4.353 12.536 33.622 1072 HB2 GLU 137 HB2 GLU 137 -1.668 11.902 34.659 1073 HB3 GLU 137 HB3 GLU 137 -2.087 13.610 34.616 1074 HG2 GLU 137 HG2 GLU 137 -3.814 11.511 35.883 1075 HG3 GLU 137 HG3 GLU 137 -2.592 12.434 36.754 1076 H LYS 138 H LYS 138 -0.995 12.760 32.450 1077 HA LYS 138 HA LYS 138 -1.779 15.162 30.999 1078 HB2 LYS 138 HB2 LYS 138 0.959 13.962 31.397 1079 HB3 LYS 138 HB3 LYS 138 0.620 15.511 30.643 1080 HG2 LYS 138 HG2 LYS 138 0.103 14.779 33.523 1081 HG3 LYS 138 HG3 LYS 138 1.397 15.813 32.919 1082 HD2 LYS 138 HD2 LYS 138 -0.058 17.458 33.452 1083 HD3 LYS 138 HD3 LYS 138 -0.724 17.080 31.865 1084 HE2 LYS 138 HE2 LYS 138 -2.522 17.220 33.461 1085 HE3 LYS 138 HE3 LYS 138 -2.333 15.542 32.951 1086 HZ1 LYS 138 HZ1 LYS 138 -2.642 15.636 35.324 1087 HZ2 LYS 138 HZ2 LYS 138 -1.360 16.737 35.491 1088 HZ3 LYS 138 HZ3 LYS 138 -1.048 15.148 35.001 1089 H ARG 139 H ARG 139 -2.715 14.722 29.175 1090 HA ARG 139 HA ARG 139 -1.532 12.731 27.364 1091 HB2 ARG 139 HB2 ARG 139 -4.262 14.047 27.263 1092 HB3 ARG 139 HB3 ARG 139 -3.675 12.810 26.161 1093 HG2 ARG 139 HG2 ARG 139 -3.595 11.196 27.971 1094 HG3 ARG 139 HG3 ARG 139 -4.104 12.434 29.119 1095 HD2 ARG 139 HD2 ARG 139 -5.719 11.493 26.749 1096 HD3 ARG 139 HD3 ARG 139 -5.956 10.952 28.410 1097 HE ARG 139 HE ARG 139 -6.099 13.770 28.280 1098 HH11 ARG 139 HH11 ARG 139 -7.950 10.904 27.387 1099 HH12 ARG 139 HH12 ARG 139 -9.480 11.719 27.557 1100 HH21 ARG 139 HH21 ARG 139 -8.155 14.809 28.472 1101 HH22 ARG 139 HH22 ARG 139 -9.596 13.893 28.151 1102 H LYS 140 H LYS 140 0.088 13.916 26.412 1103 HA LYS 140 HA LYS 140 -0.345 16.620 25.577 1104 HB2 LYS 140 HB2 LYS 140 1.887 15.970 26.193 1105 HB3 LYS 140 HB3 LYS 140 1.890 14.674 25.001 1106 HG2 LYS 140 HG2 LYS 140 2.046 16.160 23.212 1107 HG3 LYS 140 HG3 LYS 140 1.542 17.535 24.194 1108 HD2 LYS 140 HD2 LYS 140 4.091 16.040 24.725 1109 HD3 LYS 140 HD3 LYS 140 4.008 17.374 23.575 1110 HE2 LYS 140 HE2 LYS 140 4.717 18.335 25.589 1111 HE3 LYS 140 HE3 LYS 140 3.012 18.744 25.453 1112 HZ1 LYS 140 HZ1 LYS 140 2.429 17.224 27.110 1113 HZ2 LYS 140 HZ2 LYS 140 3.868 17.907 27.697 1114 HZ3 LYS 140 HZ3 LYS 140 3.890 16.370 26.986 1115 H ILE 141 H ILE 141 -1.036 17.359 23.668 1116 HA ILE 141 HA ILE 141 -1.495 15.351 21.579 1117 HB ILE 141 HB ILE 141 -3.592 15.878 22.709 1118 HG12 ILE 141 HG12 ILE 141 -3.442 17.034 19.921 1119 HG13 ILE 141 HG13 ILE 141 -3.628 15.328 20.319 1120 HG21 ILE 141 HG21 ILE 141 -4.583 18.116 22.525 1121 HG22 ILE 141 HG22 ILE 141 -3.062 18.703 21.849 1122 HG23 ILE 141 HG23 ILE 141 -3.115 18.095 23.503 1123 HD11 ILE 141 HD11 ILE 141 -5.596 17.525 20.920 1124 HD12 ILE 141 HD12 ILE 141 -5.783 15.832 21.378 1125 HD13 ILE 141 HD13 ILE 141 -5.749 16.286 19.674 1126 H PHE 142 H PHE 142 -0.498 15.766 19.820 1127 HA PHE 142 HA PHE 142 0.246 18.524 19.127 1128 HB2 PHE 142 HB2 PHE 142 1.474 15.852 18.620 1129 HB3 PHE 142 HB3 PHE 142 1.673 17.082 17.383 1130 HD1 PHE 142 HD1 PHE 142 2.075 16.683 21.095 1131 HD2 PHE 142 HD2 PHE 142 3.500 18.419 17.476 1132 HE1 PHE 142 HE1 PHE 142 4.008 17.603 22.297 1133 HE2 PHE 142 HE2 PHE 142 5.433 19.345 18.681 1134 HZ PHE 142 HZ PHE 142 5.691 18.936 21.091 1135 H VAL 143 H VAL 143 -1.377 19.348 17.910 1136 HA VAL 143 HA VAL 143 -2.638 17.623 15.898 1137 HB VAL 143 HB VAL 143 -3.462 20.378 16.813 1138 HG11 VAL 143 HG11 VAL 143 -5.569 19.884 15.642 1139 HG12 VAL 143 HG12 VAL 143 -4.865 18.381 15.047 1140 HG13 VAL 143 HG13 VAL 143 -4.187 19.930 14.545 1141 HG21 VAL 143 HG21 VAL 143 -3.704 18.741 18.596 1142 HG22 VAL 143 HG22 VAL 143 -4.615 17.687 17.512 1143 HG23 VAL 143 HG23 VAL 143 -5.281 19.250 17.989 1144 H ALA 144 H ALA 144 -1.614 17.606 14.055 1145 HA ALA 144 HA ALA 144 -0.474 20.109 13.026 1146 HB1 ALA 144 HB1 ALA 144 1.069 18.214 13.193 1147 HB2 ALA 144 HB2 ALA 144 0.844 18.736 11.525 1148 HB3 ALA 144 HB3 ALA 144 0.034 17.281 12.111 1149 H THR 145 H THR 145 -2.026 21.160 11.969 1150 HA THR 145 HA THR 145 -3.960 19.775 10.322 1151 HB THR 145 HB THR 145 -3.579 22.766 10.452 1152 HG1 THR 145 HG1 THR 145 -5.084 21.157 12.270 1153 HG21 THR 145 HG21 THR 145 -5.187 21.970 8.809 1154 HG22 THR 145 HG22 THR 145 -6.039 22.755 10.141 1155 HG23 THR 145 HG23 THR 145 -5.991 20.994 10.038 1156 H GLU 146 H GLU 146 -4.067 19.863 8.081 1157 HA GLU 146 HA GLU 146 -1.661 19.669 6.726 1158 HB2 GLU 146 HB2 GLU 146 -3.958 18.750 6.074 1159 HB3 GLU 146 HB3 GLU 146 -4.268 20.331 5.371 1160 HG2 GLU 146 HG2 GLU 146 -2.493 20.073 3.807 1161 HG3 GLU 146 HG3 GLU 146 -1.920 18.614 4.612 1162 H VAL 147 H VAL 147 -0.404 20.987 5.608 1163 HA VAL 147 HA VAL 147 -1.094 23.843 5.625 1164 HB VAL 147 HB VAL 147 0.755 23.316 7.120 1165 HG11 VAL 147 HG11 VAL 147 2.891 22.479 6.216 1166 HG12 VAL 147 HG12 VAL 147 2.083 22.179 4.676 1167 HG13 VAL 147 HG13 VAL 147 1.579 21.306 6.124 1168 HG21 VAL 147 HG21 VAL 147 0.792 25.466 5.949 1169 HG22 VAL 147 HG22 VAL 147 1.748 24.736 4.657 1170 HG23 VAL 147 HG23 VAL 147 2.419 24.866 6.284 1171 H LYS 148 H LYS 148 -0.078 25.124 3.855 1172 HA LYS 148 HA LYS 148 -0.248 23.594 1.353 1173 HB2 LYS 148 HB2 LYS 148 -0.491 26.581 1.503 1174 HB3 LYS 148 HB3 LYS 148 -1.187 25.469 0.330 1175 HG2 LYS 148 HG2 LYS 148 -2.061 25.746 3.199 1176 HG3 LYS 148 HG3 LYS 148 -2.877 26.464 1.806 1177 HD2 LYS 148 HD2 LYS 148 -2.445 23.506 2.219 1178 HD3 LYS 148 HD3 LYS 148 -3.935 24.365 2.606 1179 HE2 LYS 148 HE2 LYS 148 -4.158 25.012 0.249 1180 HE3 LYS 148 HE3 LYS 148 -2.679 24.127 -0.127 1181 HZ1 LYS 148 HZ1 LYS 148 -4.591 22.785 -0.652 1182 HZ2 LYS 148 HZ2 LYS 148 -5.206 22.963 0.922 1183 HZ3 LYS 148 HZ3 LYS 148 -3.772 22.095 0.667 1184 H1 JPT 201 H7 UNK 201 -3.775 7.790 27.016 1185 H11 JPT 201 H11 UNK 201 -4.570 5.296 26.590 1186 H12 JPT 201 H12 UNK 201 -2.006 4.968 22.739 1187 H13 JPT 201 H13 UNK 201 -2.238 7.413 23.609 1188 H62 JPT 201 H62 UNK 201 -7.043 8.800 21.949 1189 H61 JPT 201 H61 UNK 201 -6.248 7.247 22.278 1190 H3 JPT 201 H3 UNK 201 -8.243 6.515 23.274 1191 H4 JPT 201 H4 UNK 201 -6.525 8.997 28.328 1192 H2 JPT 201 H2 UNK 201 -8.704 8.886 24.475 Start of MODEL 12 1 HA MET 1 HA MET 1 -4.679 0.127 -3.283 2 HB2 MET 1 HB2 MET 1 -3.909 0.118 -0.955 3 HB3 MET 1 HB3 MET 1 -2.705 1.345 -1.332 4 HG2 MET 1 HG2 MET 1 -4.422 2.967 -1.774 5 HG3 MET 1 HG3 MET 1 -5.682 1.746 -1.575 6 HE1 MET 1 HE1 MET 1 -4.581 0.104 0.954 7 HE2 MET 1 HE2 MET 1 -6.258 0.588 0.694 8 HE3 MET 1 HE3 MET 1 -5.472 0.940 2.232 9 H GLN 2 H GLN 2 -5.060 1.277 -5.048 10 HA GLN 2 HA GLN 2 -3.100 3.345 -5.800 11 HB2 GLN 2 HB2 GLN 2 -3.368 1.320 -7.303 12 HB3 GLN 2 HB3 GLN 2 -4.987 1.901 -7.656 13 HG2 GLN 2 HG2 GLN 2 -4.101 3.911 -8.642 14 HG3 GLN 2 HG3 GLN 2 -2.460 3.448 -8.188 15 HE21 GLN 2 HE21 GLN 2 -5.109 2.888 -10.357 16 HE22 GLN 2 HE22 GLN 2 -4.240 1.890 -11.476 17 H ALA 3 H ALA 3 -5.888 3.132 -4.319 18 HA ALA 3 HA ALA 3 -6.744 5.770 -5.083 19 HB1 ALA 3 HB1 ALA 3 -7.835 4.374 -6.809 20 HB2 ALA 3 HB2 ALA 3 -8.992 5.195 -5.761 21 HB3 ALA 3 HB3 ALA 3 -8.660 3.478 -5.530 22 H LYS 4 H LYS 4 -7.768 6.786 -3.480 23 HA LYS 4 HA LYS 4 -8.419 7.277 -1.385 24 HB2 LYS 4 HB2 LYS 4 -10.152 5.003 -2.200 25 HB3 LYS 4 HB3 LYS 4 -10.430 5.859 -0.690 26 HG2 LYS 4 HG2 LYS 4 -10.657 7.956 -1.982 27 HG3 LYS 4 HG3 LYS 4 -10.465 7.023 -3.469 28 HD2 LYS 4 HD2 LYS 4 -12.807 7.407 -3.072 29 HD3 LYS 4 HD3 LYS 4 -12.454 5.693 -2.844 30 HE2 LYS 4 HE2 LYS 4 -12.368 6.051 -0.418 31 HE3 LYS 4 HE3 LYS 4 -12.758 7.752 -0.661 32 HZ1 LYS 4 HZ1 LYS 4 -14.846 7.055 -1.703 33 HZ2 LYS 4 HZ2 LYS 4 -14.733 6.519 -0.094 34 HZ3 LYS 4 HZ3 LYS 4 -14.471 5.436 -1.370 35 HA PRO 5 HA PRO 5 -5.679 4.510 0.969 36 HB2 PRO 5 HB2 PRO 5 -5.050 6.445 2.803 37 HB3 PRO 5 HB3 PRO 5 -4.199 6.224 1.269 38 HG2 PRO 5 HG2 PRO 5 -6.376 8.149 1.968 39 HG3 PRO 5 HG3 PRO 5 -4.888 8.431 1.044 40 HD2 PRO 5 HD2 PRO 5 -7.249 8.099 -0.184 41 HD3 PRO 5 HD3 PRO 5 -5.747 7.449 -0.875 42 H GLN 6 H GLN 6 -6.474 3.173 2.409 43 HA GLN 6 HA GLN 6 -8.157 4.129 4.575 44 HB2 GLN 6 HB2 GLN 6 -9.902 2.430 4.099 45 HB3 GLN 6 HB3 GLN 6 -9.790 3.662 2.850 46 HG2 GLN 6 HG2 GLN 6 -8.282 1.996 1.618 47 HG3 GLN 6 HG3 GLN 6 -8.916 0.804 2.751 48 HE21 GLN 6 HE21 GLN 6 -9.643 2.902 0.088 49 HE22 GLN 6 HE22 GLN 6 -11.187 2.210 -0.301 50 H ILE 7 H ILE 7 -8.576 2.359 6.182 51 HA ILE 7 HA ILE 7 -6.090 0.907 6.545 52 HB ILE 7 HB ILE 7 -8.438 1.359 8.399 53 HG12 ILE 7 HG12 ILE 7 -6.549 2.498 9.741 54 HG13 ILE 7 HG13 ILE 7 -5.638 2.456 8.237 55 HG21 ILE 7 HG21 ILE 7 -5.879 -0.122 8.971 56 HG22 ILE 7 HG22 ILE 7 -7.482 -0.846 8.822 57 HG23 ILE 7 HG23 ILE 7 -7.136 0.269 10.147 58 HD11 ILE 7 HD11 ILE 7 -6.703 4.605 8.563 59 HD12 ILE 7 HD12 ILE 7 -8.281 3.825 8.665 60 HD13 ILE 7 HD13 ILE 7 -7.373 3.783 7.152 61 HA PRO 8 HA PRO 8 -8.032 -2.875 5.188 62 HB2 PRO 8 HB2 PRO 8 -5.862 -4.439 5.312 63 HB3 PRO 8 HB3 PRO 8 -6.028 -3.187 4.075 64 HG2 PRO 8 HG2 PRO 8 -4.435 -3.158 6.601 65 HG3 PRO 8 HG3 PRO 8 -4.016 -2.515 5.005 66 HD2 PRO 8 HD2 PRO 8 -4.972 -1.009 7.120 67 HD3 PRO 8 HD3 PRO 8 -5.050 -0.529 5.415 68 H LYS 9 H LYS 9 -7.882 -5.250 5.980 69 HA LYS 9 HA LYS 9 -8.765 -5.395 8.671 70 HB2 LYS 9 HB2 LYS 9 -7.936 -7.587 6.784 71 HB3 LYS 9 HB3 LYS 9 -8.833 -7.817 8.273 72 HG2 LYS 9 HG2 LYS 9 -10.765 -6.869 7.404 73 HG3 LYS 9 HG3 LYS 9 -9.891 -6.048 6.107 74 HD2 LYS 9 HD2 LYS 9 -11.174 -7.972 5.273 75 HD3 LYS 9 HD3 LYS 9 -9.440 -8.176 5.031 76 HE2 LYS 9 HE2 LYS 9 -9.369 -9.557 7.096 77 HE3 LYS 9 HE3 LYS 9 -11.128 -9.440 7.185 78 HZ1 LYS 9 HZ1 LYS 9 -11.269 -10.524 5.024 79 HZ2 LYS 9 HZ2 LYS 9 -10.439 -11.499 6.135 80 HZ3 LYS 9 HZ3 LYS 9 -9.578 -10.643 4.954 81 H ASP 10 H ASP 10 -5.734 -5.899 7.077 82 HA ASP 10 HA ASP 10 -4.535 -7.441 9.175 83 HB2 ASP 10 HB2 ASP 10 -3.874 -7.764 6.839 84 HB3 ASP 10 HB3 ASP 10 -3.297 -6.105 6.758 85 H LYS 11 H LYS 11 -4.283 -6.427 11.065 86 HA LYS 11 HA LYS 11 -3.283 -3.703 11.209 87 HB2 LYS 11 HB2 LYS 11 -4.080 -5.701 13.335 88 HB3 LYS 11 HB3 LYS 11 -3.533 -4.065 13.677 89 HG2 LYS 11 HG2 LYS 11 -5.429 -3.149 12.485 90 HG3 LYS 11 HG3 LYS 11 -5.961 -4.770 12.043 91 HD2 LYS 11 HD2 LYS 11 -5.634 -3.904 14.906 92 HD3 LYS 11 HD3 LYS 11 -7.142 -3.677 14.017 93 HE2 LYS 11 HE2 LYS 11 -5.748 -6.323 14.418 94 HE3 LYS 11 HE3 LYS 11 -7.110 -5.745 15.377 95 HZ1 LYS 11 HZ1 LYS 11 -7.126 -6.275 12.457 96 HZ2 LYS 11 HZ2 LYS 11 -8.433 -5.655 13.341 97 HZ3 LYS 11 HZ3 LYS 11 -7.863 -7.224 13.651 98 H SER 12 H SER 12 -1.767 -6.291 10.388 99 HA SER 12 HA SER 12 0.454 -6.161 12.283 100 HB2 SER 12 HB2 SER 12 -0.416 -8.386 11.690 101 HB3 SER 12 HB3 SER 12 -0.091 -8.067 9.989 102 HG SER 12 HG SER 12 1.808 -8.303 12.094 103 H LYS 13 H LYS 13 -0.492 -4.816 9.341 104 HA LYS 13 HA LYS 13 2.286 -4.480 8.448 105 HB2 LYS 13 HB2 LYS 13 1.436 -3.919 6.273 106 HB3 LYS 13 HB3 LYS 13 0.666 -5.408 6.797 107 HG2 LYS 13 HG2 LYS 13 -1.382 -4.314 7.224 108 HG3 LYS 13 HG3 LYS 13 -0.638 -2.719 7.102 109 HD2 LYS 13 HD2 LYS 13 -1.745 -2.968 5.065 110 HD3 LYS 13 HD3 LYS 13 -0.076 -3.388 4.685 111 HE2 LYS 13 HE2 LYS 13 -2.337 -5.314 5.203 112 HE3 LYS 13 HE3 LYS 13 -1.630 -4.936 3.637 113 HZ1 LYS 13 HZ1 LYS 13 0.527 -5.797 4.621 114 HZ2 LYS 13 HZ2 LYS 13 -0.674 -6.946 4.289 115 HZ3 LYS 13 HZ3 LYS 13 -0.417 -6.431 5.888 116 H VAL 14 H VAL 14 2.489 -2.298 7.174 117 HA VAL 14 HA VAL 14 1.676 -0.176 9.021 118 HB VAL 14 HB VAL 14 4.068 -0.344 8.707 119 HG11 VAL 14 HG11 VAL 14 3.551 0.023 5.762 120 HG12 VAL 14 HG12 VAL 14 4.107 -1.457 6.545 121 HG13 VAL 14 HG13 VAL 14 5.137 -0.025 6.535 122 HG21 VAL 14 HG21 VAL 14 4.586 1.910 7.955 123 HG22 VAL 14 HG22 VAL 14 3.135 1.897 8.958 124 HG23 VAL 14 HG23 VAL 14 2.996 2.035 7.206 125 H ALA 15 H ALA 15 0.322 1.416 8.398 126 HA ALA 15 HA ALA 15 -0.859 1.223 5.737 127 HB1 ALA 15 HB1 ALA 15 -2.354 1.355 7.673 128 HB2 ALA 15 HB2 ALA 15 -2.568 2.741 6.602 129 HB3 ALA 15 HB3 ALA 15 -1.659 2.919 8.102 130 H GLY 16 H GLY 16 1.055 3.395 7.688 131 HA2 GLY 16 HA2 GLY 16 2.006 4.773 5.354 132 HA3 GLY 16 HA3 GLY 16 0.974 5.774 6.372 133 H TYR 17 H TYR 17 3.548 6.576 6.035 134 HA TYR 17 HA TYR 17 4.863 5.718 8.532 135 HB2 TYR 17 HB2 TYR 17 6.095 6.884 6.029 136 HB3 TYR 17 HB3 TYR 17 6.974 6.537 7.511 137 HD1 TYR 17 HD1 TYR 17 5.158 5.024 4.685 138 HD2 TYR 17 HD2 TYR 17 7.634 4.320 8.071 139 HE1 TYR 17 HE1 TYR 17 5.526 2.720 3.926 140 HE2 TYR 17 HE2 TYR 17 8.016 2.013 7.321 141 HH TYR 17 HH TYR 17 7.241 0.942 4.211 142 H ILE 18 H ILE 18 5.453 7.193 10.016 143 HA ILE 18 HA ILE 18 4.598 9.950 9.492 144 HB ILE 18 HB ILE 18 3.359 8.951 11.317 145 HG12 ILE 18 HG12 ILE 18 3.908 10.581 13.120 146 HG13 ILE 18 HG13 ILE 18 5.391 10.980 12.258 147 HG21 ILE 18 HG21 ILE 18 6.027 8.465 12.609 148 HG22 ILE 18 HG22 ILE 18 4.901 7.242 12.021 149 HG23 ILE 18 HG23 ILE 18 4.463 8.254 13.398 150 HD11 ILE 18 HD11 ILE 18 2.592 11.360 11.230 151 HD12 ILE 18 HD12 ILE 18 4.074 11.749 10.356 152 HD13 ILE 18 HD13 ILE 18 3.666 12.622 11.835 153 H GLU 19 H GLU 19 6.244 11.071 8.855 154 HA GLU 19 HA GLU 19 8.832 10.692 10.180 155 HB2 GLU 19 HB2 GLU 19 8.212 11.649 7.385 156 HB3 GLU 19 HB3 GLU 19 9.817 11.695 8.103 157 HG2 GLU 19 HG2 GLU 19 9.767 9.262 8.361 158 HG3 GLU 19 HG3 GLU 19 8.170 9.222 7.616 159 H ILE 20 H ILE 20 9.256 12.158 11.581 160 HA ILE 20 HA ILE 20 8.594 14.969 11.002 161 HB ILE 20 HB ILE 20 8.636 13.728 13.765 162 HG12 ILE 20 HG12 ILE 20 6.217 14.571 12.155 163 HG13 ILE 20 HG13 ILE 20 6.742 12.903 12.346 164 HG21 ILE 20 HG21 ILE 20 7.719 16.437 12.794 165 HG22 ILE 20 HG22 ILE 20 9.194 16.103 13.704 166 HG23 ILE 20 HG23 ILE 20 7.617 15.849 14.454 167 HD11 ILE 20 HD11 ILE 20 4.919 13.435 13.853 168 HD12 ILE 20 HD12 ILE 20 5.869 14.741 14.563 169 HD13 ILE 20 HD13 ILE 20 6.393 13.066 14.751 170 HA PRO 21 HA PRO 21 13.130 14.556 11.207 171 HB2 PRO 21 HB2 PRO 21 12.995 17.307 10.146 172 HB3 PRO 21 HB3 PRO 21 13.815 15.889 9.488 173 HG2 PRO 21 HG2 PRO 21 11.597 16.879 8.350 174 HG3 PRO 21 HG3 PRO 21 11.927 15.140 8.393 175 HD2 PRO 21 HD2 PRO 21 10.070 16.756 10.085 176 HD3 PRO 21 HD3 PRO 21 9.842 15.137 9.393 177 H ASP 22 H ASP 22 11.089 17.141 12.308 178 HA ASP 22 HA ASP 22 13.047 18.515 13.850 179 HB2 ASP 22 HB2 ASP 22 10.873 19.475 12.983 180 HB3 ASP 22 HB3 ASP 22 10.054 18.570 14.250 181 H ALA 23 H ALA 23 11.120 15.694 14.402 182 HA ALA 23 HA ALA 23 11.862 15.766 17.255 183 HB1 ALA 23 HB1 ALA 23 9.446 15.704 16.872 184 HB2 ALA 23 HB2 ALA 23 10.010 14.230 17.656 185 HB3 ALA 23 HB3 ALA 23 9.632 14.223 15.935 186 H ASP 24 H ASP 24 12.999 14.630 14.497 187 HA ASP 24 HA ASP 24 14.413 12.975 13.860 188 HB2 ASP 24 HB2 ASP 24 15.452 13.503 16.088 189 HB3 ASP 24 HB3 ASP 24 14.502 12.199 16.784 190 H ILE 25 H ILE 25 11.496 12.564 14.107 191 HA ILE 25 HA ILE 25 11.246 9.703 14.680 192 HB ILE 25 HB ILE 25 9.184 11.854 14.145 193 HG12 ILE 25 HG12 ILE 25 9.791 10.250 16.639 194 HG13 ILE 25 HG13 ILE 25 10.281 11.917 16.358 195 HG21 ILE 25 HG21 ILE 25 8.749 8.925 14.752 196 HG22 ILE 25 HG22 ILE 25 8.397 9.737 13.226 197 HG23 ILE 25 HG23 ILE 25 7.485 10.155 14.678 198 HD11 ILE 25 HD11 ILE 25 7.453 10.910 16.549 199 HD12 ILE 25 HD12 ILE 25 7.933 12.580 16.248 200 HD13 ILE 25 HD13 ILE 25 8.329 11.813 17.785 201 H LYS 26 H LYS 26 11.248 8.236 13.068 202 HA LYS 26 HA LYS 26 10.230 9.004 10.414 203 HB2 LYS 26 HB2 LYS 26 12.765 7.397 10.845 204 HB3 LYS 26 HB3 LYS 26 12.034 7.766 9.298 205 HG2 LYS 26 HG2 LYS 26 13.788 9.252 9.402 206 HG3 LYS 26 HG3 LYS 26 12.432 10.234 9.956 207 HD2 LYS 26 HD2 LYS 26 14.425 10.568 11.349 208 HD3 LYS 26 HD3 LYS 26 13.095 9.872 12.274 209 HE2 LYS 26 HE2 LYS 26 14.114 7.641 12.013 210 HE3 LYS 26 HE3 LYS 26 15.459 8.375 11.143 211 HZ1 LYS 26 HZ1 LYS 26 14.699 9.060 13.933 212 HZ2 LYS 26 HZ2 LYS 26 16.078 9.584 13.091 213 HZ3 LYS 26 HZ3 LYS 26 15.915 7.950 13.516 214 H GLU 27 H GLU 27 8.678 7.689 12.192 215 HA GLU 27 HA GLU 27 9.300 4.827 12.044 216 HB2 GLU 27 HB2 GLU 27 7.413 6.287 13.898 217 HB3 GLU 27 HB3 GLU 27 7.808 4.574 13.969 218 HG2 GLU 27 HG2 GLU 27 9.632 6.901 14.493 219 HG3 GLU 27 HG3 GLU 27 9.074 5.682 15.639 220 HA PRO 28 HA PRO 28 5.678 3.943 9.626 221 HB2 PRO 28 HB2 PRO 28 5.513 1.296 10.777 222 HB3 PRO 28 HB3 PRO 28 6.098 1.764 9.180 223 HG2 PRO 28 HG2 PRO 28 7.700 0.758 11.151 224 HG3 PRO 28 HG3 PRO 28 8.276 1.823 9.858 225 HD2 PRO 28 HD2 PRO 28 7.587 2.482 12.694 226 HD3 PRO 28 HD3 PRO 28 8.927 3.079 11.690 227 H VAL 29 H VAL 29 3.489 3.941 9.832 228 HA VAL 29 HA VAL 29 2.403 3.892 12.560 229 HB VAL 29 HB VAL 29 1.108 4.878 10.010 230 HG11 VAL 29 HG11 VAL 29 -0.519 4.086 11.649 231 HG12 VAL 29 HG12 VAL 29 -0.592 5.840 11.477 232 HG13 VAL 29 HG13 VAL 29 0.206 5.125 12.879 233 HG21 VAL 29 HG21 VAL 29 2.377 6.387 12.287 234 HG22 VAL 29 HG22 VAL 29 1.431 7.124 10.996 235 HG23 VAL 29 HG23 VAL 29 2.950 6.311 10.622 236 H TYR 30 H TYR 30 1.531 2.091 13.194 237 HA TYR 30 HA TYR 30 0.610 0.139 11.212 238 HB2 TYR 30 HB2 TYR 30 1.081 -0.199 14.181 239 HB3 TYR 30 HB3 TYR 30 0.679 -1.482 13.048 240 HD1 TYR 30 HD1 TYR 30 3.312 0.428 14.548 241 HD2 TYR 30 HD2 TYR 30 2.340 -2.001 11.193 242 HE1 TYR 30 HE1 TYR 30 5.707 0.057 14.130 243 HE2 TYR 30 HE2 TYR 30 4.732 -2.375 10.763 244 HH TYR 30 HH TYR 30 6.860 -1.417 11.225 245 HA PRO 31 HA PRO 31 -3.530 1.560 12.154 246 HB2 PRO 31 HB2 PRO 31 -4.785 -0.354 10.649 247 HB3 PRO 31 HB3 PRO 31 -4.114 1.138 9.984 248 HG2 PRO 31 HG2 PRO 31 -2.933 -1.611 10.034 249 HG3 PRO 31 HG3 PRO 31 -2.937 -0.415 8.723 250 HD2 PRO 31 HD2 PRO 31 -0.778 -0.806 10.272 251 HD3 PRO 31 HD3 PRO 31 -1.209 0.803 9.657 252 H GLY 32 H GLY 32 -4.982 0.965 13.696 253 HA2 GLY 32 HA2 GLY 32 -5.839 -1.563 14.345 254 HA3 GLY 32 HA3 GLY 32 -4.388 -1.312 15.303 255 HA PRO 33 HA PRO 33 -7.949 0.669 17.508 256 HB2 PRO 33 HB2 PRO 33 -8.392 -1.370 19.325 257 HB3 PRO 33 HB3 PRO 33 -9.262 -1.120 17.822 258 HG2 PRO 33 HG2 PRO 33 -7.522 -3.281 18.474 259 HG3 PRO 33 HG3 PRO 33 -8.356 -2.992 16.940 260 HD2 PRO 33 HD2 PRO 33 -5.561 -2.399 17.707 261 HD3 PRO 33 HD3 PRO 33 -6.263 -2.702 16.101 262 H ALA 34 H ALA 34 -5.027 0.590 17.887 263 HA ALA 34 HA ALA 34 -3.429 1.269 19.351 264 HB1 ALA 34 HB1 ALA 34 -4.995 3.138 19.656 265 HB2 ALA 34 HB2 ALA 34 -4.091 2.779 21.126 266 HB3 ALA 34 HB3 ALA 34 -5.770 2.261 20.976 267 H THR 35 H THR 35 -3.839 -1.373 19.564 268 HA THR 35 HA THR 35 -4.462 -2.266 22.181 269 HB THR 35 HB THR 35 -3.135 -4.346 21.396 270 HG1 THR 35 HG1 THR 35 -2.368 -4.322 19.394 271 HG21 THR 35 HG21 THR 35 -4.999 -5.072 19.974 272 HG22 THR 35 HG22 THR 35 -5.547 -3.400 19.842 273 HG23 THR 35 HG23 THR 35 -5.576 -4.217 21.405 274 HA PRO 36 HA PRO 36 -1.001 -1.338 24.713 275 HB2 PRO 36 HB2 PRO 36 -0.853 -4.280 25.221 276 HB3 PRO 36 HB3 PRO 36 -0.854 -2.940 26.375 277 HG2 PRO 36 HG2 PRO 36 -3.057 -4.371 25.989 278 HG3 PRO 36 HG3 PRO 36 -3.149 -2.611 26.190 279 HD2 PRO 36 HD2 PRO 36 -3.432 -4.254 23.718 280 HD3 PRO 36 HD3 PRO 36 -4.232 -2.732 24.162 281 H GLU 37 H GLU 37 -0.425 -4.492 23.105 282 HA GLU 37 HA GLU 37 2.382 -4.162 23.046 283 HB2 GLU 37 HB2 GLU 37 0.631 -5.964 21.365 284 HB3 GLU 37 HB3 GLU 37 2.382 -6.078 21.482 285 HG2 GLU 37 HG2 GLU 37 2.052 -6.392 23.973 286 HG3 GLU 37 HG3 GLU 37 0.341 -6.608 23.614 287 H GLN 38 H GLN 38 -0.133 -3.110 20.914 288 HA GLN 38 HA GLN 38 1.426 -2.727 18.580 289 HB2 GLN 38 HB2 GLN 38 -1.045 -2.758 18.574 290 HB3 GLN 38 HB3 GLN 38 -1.058 -1.251 19.479 291 HG2 GLN 38 HG2 GLN 38 -1.456 -0.612 17.284 292 HG3 GLN 38 HG3 GLN 38 0.255 -0.268 17.534 293 HE21 GLN 38 HE21 GLN 38 -2.060 -2.250 15.903 294 HE22 GLN 38 HE22 GLN 38 -0.961 -2.998 14.801 295 H LEU 39 H LEU 39 0.578 -0.630 21.298 296 HA LEU 39 HA LEU 39 1.853 1.674 20.145 297 HB2 LEU 39 HB2 LEU 39 0.740 1.213 22.910 298 HB3 LEU 39 HB3 LEU 39 1.282 2.761 22.293 299 HG LEU 39 HG LEU 39 -1.045 1.157 21.226 300 HD11 LEU 39 HD11 LEU 39 -2.412 2.966 22.140 301 HD12 LEU 39 HD12 LEU 39 -0.966 3.722 22.811 302 HD13 LEU 39 HD13 LEU 39 -1.499 2.148 23.407 303 HD21 LEU 39 HD21 LEU 39 -0.014 3.882 20.448 304 HD22 LEU 39 HD22 LEU 39 -1.496 3.132 19.856 305 HD23 LEU 39 HD23 LEU 39 0.070 2.421 19.466 306 H ASN 40 H ASN 40 3.040 -1.012 21.654 307 HA ASN 40 HA ASN 40 5.245 0.437 22.927 308 HB2 ASN 40 HB2 ASN 40 4.270 -2.400 23.125 309 HB3 ASN 40 HB3 ASN 40 5.877 -1.947 23.691 310 HD21 ASN 40 HD21 ASN 40 3.619 -2.954 25.202 311 HD22 ASN 40 HD22 ASN 40 3.261 -1.754 26.395 312 H ARG 41 H ARG 41 4.475 -1.345 20.098 313 HA ARG 41 HA ARG 41 7.313 -1.768 19.495 314 HB2 ARG 41 HB2 ARG 41 6.566 -3.231 17.718 315 HB3 ARG 41 HB3 ARG 41 5.762 -3.678 19.215 316 HG2 ARG 41 HG2 ARG 41 3.763 -2.443 18.481 317 HG3 ARG 41 HG3 ARG 41 4.575 -2.083 16.957 318 HD2 ARG 41 HD2 ARG 41 4.849 -4.567 16.667 319 HD3 ARG 41 HD3 ARG 41 3.749 -4.768 18.028 320 HE ARG 41 HE ARG 41 2.426 -3.102 16.308 321 HH11 ARG 41 HH11 ARG 41 3.857 -6.293 16.036 322 HH12 ARG 41 HH12 ARG 41 2.731 -6.827 14.821 323 HH21 ARG 41 HH21 ARG 41 0.961 -3.796 14.728 324 HH22 ARG 41 HH22 ARG 41 1.059 -5.408 14.099 325 H GLY 42 H GLY 42 4.556 0.131 18.632 326 HA2 GLY 42 HA2 GLY 42 6.115 1.959 17.101 327 HA3 GLY 42 HA3 GLY 42 5.099 0.959 16.067 328 H VAL 43 H VAL 43 4.237 3.235 15.632 329 HA VAL 43 HA VAL 43 2.401 4.120 17.734 330 HB VAL 43 HB VAL 43 3.961 5.759 16.663 331 HG11 VAL 43 HG11 VAL 43 3.927 4.931 14.389 332 HG12 VAL 43 HG12 VAL 43 3.426 6.622 14.439 333 HG13 VAL 43 HG13 VAL 43 2.220 5.349 14.242 334 HG21 VAL 43 HG21 VAL 43 1.022 6.314 16.338 335 HG22 VAL 43 HG22 VAL 43 2.296 7.530 16.413 336 HG23 VAL 43 HG23 VAL 43 1.969 6.508 17.813 337 H SER 44 H SER 44 0.159 4.453 17.277 338 HA SER 44 HA SER 44 -0.846 3.041 14.908 339 HB2 SER 44 HB2 SER 44 -0.660 1.525 16.969 340 HB3 SER 44 HB3 SER 44 -1.945 2.506 17.671 341 HG SER 44 HG SER 44 -2.101 1.093 15.203 342 H PHE 45 H PHE 45 -3.494 3.100 15.364 343 HA PHE 45 HA PHE 45 -4.068 5.967 15.414 344 HB2 PHE 45 HB2 PHE 45 -5.626 3.588 14.401 345 HB3 PHE 45 HB3 PHE 45 -6.328 5.197 14.530 346 HD1 PHE 45 HD1 PHE 45 -5.102 3.029 12.243 347 HD2 PHE 45 HD2 PHE 45 -4.489 7.036 13.547 348 HE1 PHE 45 HE1 PHE 45 -4.206 3.613 10.026 349 HE2 PHE 45 HE2 PHE 45 -3.595 7.624 11.335 350 HZ PHE 45 HZ PHE 45 -3.457 5.919 9.572 351 H ALA 46 H ALA 46 -6.245 6.555 16.390 352 HA ALA 46 HA ALA 46 -6.304 5.891 19.122 353 HB1 ALA 46 HB1 ALA 46 -7.208 7.995 18.210 354 HB2 ALA 46 HB2 ALA 46 -8.383 7.144 19.212 355 HB3 ALA 46 HB3 ALA 46 -8.518 7.084 17.456 356 H GLU 47 H GLU 47 -8.361 4.864 16.421 357 HA GLU 47 HA GLU 47 -8.965 2.412 17.879 358 HB2 GLU 47 HB2 GLU 47 -11.046 4.272 16.734 359 HB3 GLU 47 HB3 GLU 47 -11.368 2.586 17.113 360 HG2 GLU 47 HG2 GLU 47 -10.661 3.075 19.461 361 HG3 GLU 47 HG3 GLU 47 -10.606 4.780 19.016 362 H GLU 48 H GLU 48 -10.188 0.875 16.388 363 HA GLU 48 HA GLU 48 -8.605 0.541 14.024 364 HB2 GLU 48 HB2 GLU 48 -9.326 -1.338 15.473 365 HB3 GLU 48 HB3 GLU 48 -10.993 -1.026 15.022 366 HG2 GLU 48 HG2 GLU 48 -10.381 -1.523 12.664 367 HG3 GLU 48 HG3 GLU 48 -8.776 -1.987 13.233 368 H ASN 49 H ASN 49 -11.278 2.354 14.673 369 HA ASN 49 HA ASN 49 -12.650 1.851 12.143 370 HB2 ASN 49 HB2 ASN 49 -13.447 3.353 14.623 371 HB3 ASN 49 HB3 ASN 49 -14.400 3.365 13.144 372 HD21 ASN 49 HD21 ASN 49 -16.135 2.336 13.939 373 HD22 ASN 49 HD22 ASN 49 -16.135 0.680 14.453 374 H GLU 50 H GLU 50 -10.085 3.537 12.769 375 HA GLU 50 HA GLU 50 -10.793 6.194 12.019 376 HB2 GLU 50 HB2 GLU 50 -8.228 4.706 12.393 377 HB3 GLU 50 HB3 GLU 50 -8.219 6.268 11.600 378 HG2 GLU 50 HG2 GLU 50 -9.345 5.745 14.329 379 HG3 GLU 50 HG3 GLU 50 -7.735 6.381 14.010 380 H SER 51 H SER 51 -9.682 7.238 10.134 381 HA SER 51 HA SER 51 -9.569 5.495 7.774 382 HB2 SER 51 HB2 SER 51 -11.175 8.060 7.911 383 HB3 SER 51 HB3 SER 51 -10.993 7.020 6.498 384 HG SER 51 HG SER 51 -11.862 5.697 8.745 385 H LEU 52 H LEU 52 -8.125 6.142 6.206 386 HA LEU 52 HA LEU 52 -6.076 7.938 7.107 387 HB2 LEU 52 HB2 LEU 52 -6.385 6.309 4.592 388 HB3 LEU 52 HB3 LEU 52 -4.987 7.314 4.921 389 HG LEU 52 HG LEU 52 -5.869 5.014 6.664 390 HD11 LEU 52 HD11 LEU 52 -5.170 4.207 4.477 391 HD12 LEU 52 HD12 LEU 52 -3.960 3.814 5.701 392 HD13 LEU 52 HD13 LEU 52 -3.688 5.155 4.587 393 HD21 LEU 52 HD21 LEU 52 -3.367 6.697 6.625 394 HD22 LEU 52 HD22 LEU 52 -3.617 5.270 7.628 395 HD23 LEU 52 HD23 LEU 52 -4.617 6.703 7.871 396 H ASP 53 H ASP 53 -8.881 8.314 5.267 397 HA ASP 53 HA ASP 53 -7.832 10.764 4.025 398 HB2 ASP 53 HB2 ASP 53 -8.806 9.023 2.516 399 HB3 ASP 53 HB3 ASP 53 -10.355 9.259 3.310 400 H ASP 54 H ASP 54 -8.985 10.075 6.789 401 HA ASP 54 HA ASP 54 -11.401 11.562 7.043 402 HB2 ASP 54 HB2 ASP 54 -10.529 9.781 8.649 403 HB3 ASP 54 HB3 ASP 54 -9.426 11.009 9.261 404 H GLN 55 H GLN 55 -11.419 13.476 8.676 405 HA GLN 55 HA GLN 55 -9.606 15.481 7.563 406 HB2 GLN 55 HB2 GLN 55 -12.042 15.855 7.423 407 HB3 GLN 55 HB3 GLN 55 -12.149 15.796 9.175 408 HG2 GLN 55 HG2 GLN 55 -10.258 17.775 8.123 409 HG3 GLN 55 HG3 GLN 55 -11.945 18.056 7.697 410 HE21 GLN 55 HE21 GLN 55 -9.598 18.029 10.217 411 HE22 GLN 55 HE22 GLN 55 -10.609 18.694 11.457 412 H ASN 56 H ASN 56 -10.295 13.764 10.480 413 HA ASN 56 HA ASN 56 -8.313 15.400 11.888 414 HB2 ASN 56 HB2 ASN 56 -9.612 15.703 13.847 415 HB3 ASN 56 HB3 ASN 56 -10.642 16.162 12.506 416 HD21 ASN 56 HD21 ASN 56 -11.155 13.236 11.880 417 HD22 ASN 56 HD22 ASN 56 -12.285 12.754 13.091 418 H ILE 57 H ILE 57 -7.349 13.354 10.928 419 HA ILE 57 HA ILE 57 -7.929 10.851 12.025 420 HB ILE 57 HB ILE 57 -5.330 11.769 10.797 421 HG12 ILE 57 HG12 ILE 57 -7.672 10.433 9.444 422 HG13 ILE 57 HG13 ILE 57 -7.462 12.181 9.481 423 HG21 ILE 57 HG21 ILE 57 -5.101 9.636 11.933 424 HG22 ILE 57 HG22 ILE 57 -5.079 9.385 10.187 425 HG23 ILE 57 HG23 ILE 57 -6.534 9.015 11.114 426 HD11 ILE 57 HD11 ILE 57 -5.564 10.196 8.282 427 HD12 ILE 57 HD12 ILE 57 -5.343 11.944 8.322 428 HD13 ILE 57 HD13 ILE 57 -6.677 11.245 7.406 429 H SER 58 H SER 58 -7.340 9.866 13.823 430 HA SER 58 HA SER 58 -5.685 11.434 15.692 431 HB2 SER 58 HB2 SER 58 -7.770 9.325 16.298 432 HB3 SER 58 HB3 SER 58 -6.938 10.345 17.472 433 HG SER 58 HG SER 58 -8.339 11.545 15.352 434 H ILE 59 H ILE 59 -3.679 10.719 15.774 435 HA ILE 59 HA ILE 59 -3.161 7.830 15.605 436 HB ILE 59 HB ILE 59 -1.246 10.156 15.291 437 HG12 ILE 59 HG12 ILE 59 -2.458 8.270 13.259 438 HG13 ILE 59 HG13 ILE 59 -2.810 9.986 13.424 439 HG21 ILE 59 HG21 ILE 59 -0.790 7.199 14.894 440 HG22 ILE 59 HG22 ILE 59 -0.137 8.182 16.206 441 HG23 ILE 59 HG23 ILE 59 0.372 8.479 14.542 442 HD11 ILE 59 HD11 ILE 59 -0.158 8.798 12.645 443 HD12 ILE 59 HD12 ILE 59 -0.515 10.520 12.804 444 HD13 ILE 59 HD13 ILE 59 -1.318 9.560 11.559 445 H ALA 60 H ALA 60 -2.749 6.792 17.453 446 HA ALA 60 HA ALA 60 -2.309 8.374 19.870 447 HB1 ALA 60 HB1 ALA 60 -2.972 5.446 19.580 448 HB2 ALA 60 HB2 ALA 60 -4.141 6.739 19.854 449 HB3 ALA 60 HB3 ALA 60 -2.936 6.365 21.085 450 H GLY 61 H GLY 61 -0.469 8.354 21.009 451 HA2 GLY 61 HA2 GLY 61 1.535 6.282 20.425 452 HA3 GLY 61 HA3 GLY 61 1.983 7.969 20.222 453 H HIS 62 H HIS 62 3.348 6.279 21.896 454 HA HIS 62 HA HIS 62 2.925 7.603 24.480 455 HB2 HIS 62 HB2 HIS 62 1.913 5.358 24.650 456 HB3 HIS 62 HB3 HIS 62 3.415 4.633 24.098 457 HD1 HIS 62 HD1 HIS 62 2.354 6.897 26.995 458 HD2 HIS 62 HD2 HIS 62 4.885 3.701 26.159 459 HE1 HIS 62 HE1 HIS 62 3.414 6.277 29.188 460 H THR 63 H THR 63 4.969 7.618 25.791 461 HA THR 63 HA THR 63 7.283 7.632 23.978 462 HB THR 63 HB THR 63 8.353 9.183 25.441 463 HG1 THR 63 HG1 THR 63 6.174 8.800 27.269 464 HG21 THR 63 HG21 THR 63 6.773 11.047 25.517 465 HG22 THR 63 HG22 THR 63 5.434 9.927 25.263 466 HG23 THR 63 HG23 THR 63 6.639 10.162 23.996 467 H PHE 64 H PHE 64 9.348 6.882 24.791 468 HA PHE 64 HA PHE 64 9.196 5.056 27.080 469 HB2 PHE 64 HB2 PHE 64 9.411 4.201 24.400 470 HB3 PHE 64 HB3 PHE 64 11.020 4.025 25.095 471 HD1 PHE 64 HD1 PHE 64 7.618 2.783 25.048 472 HD2 PHE 64 HD2 PHE 64 11.358 2.567 27.064 473 HE1 PHE 64 HE1 PHE 64 6.911 0.688 26.128 474 HE2 PHE 64 HE2 PHE 64 10.660 0.471 28.146 475 HZ PHE 64 HZ PHE 64 8.432 -0.470 27.678 476 H ILE 65 H ILE 65 10.950 5.086 28.370 477 HA ILE 65 HA ILE 65 12.489 7.414 28.387 478 HB ILE 65 HB ILE 65 13.019 4.849 29.893 479 HG12 ILE 65 HG12 ILE 65 11.386 7.272 30.687 480 HG13 ILE 65 HG13 ILE 65 10.715 5.724 30.189 481 HG21 ILE 65 HG21 ILE 65 14.907 6.416 29.917 482 HG22 ILE 65 HG22 ILE 65 14.165 6.264 31.508 483 HG23 ILE 65 HG23 ILE 65 13.840 7.686 30.517 484 HD11 ILE 65 HD11 ILE 65 10.666 5.963 32.598 485 HD12 ILE 65 HD12 ILE 65 12.410 6.222 32.625 486 HD13 ILE 65 HD13 ILE 65 11.759 4.660 32.128 487 H ASP 66 H ASP 66 13.309 4.149 27.291 488 HA ASP 66 HA ASP 66 16.073 4.955 26.823 489 HB2 ASP 66 HB2 ASP 66 16.501 2.606 26.379 490 HB3 ASP 66 HB3 ASP 66 15.595 2.766 27.882 491 H ARG 67 H ARG 67 13.251 5.151 25.122 492 HA ARG 67 HA ARG 67 14.678 4.970 22.567 493 HB2 ARG 67 HB2 ARG 67 12.132 3.611 23.331 494 HB3 ARG 67 HB3 ARG 67 12.364 4.126 21.665 495 HG2 ARG 67 HG2 ARG 67 14.267 2.745 21.405 496 HG3 ARG 67 HG3 ARG 67 14.354 2.424 23.137 497 HD2 ARG 67 HD2 ARG 67 12.531 0.987 23.087 498 HD3 ARG 67 HD3 ARG 67 11.926 1.651 21.569 499 HE ARG 67 HE ARG 67 13.291 0.221 20.421 500 HH11 ARG 67 HH11 ARG 67 14.316 0.245 23.793 501 HH12 ARG 67 HH12 ARG 67 15.421 -1.084 23.579 502 HH21 ARG 67 HH21 ARG 67 14.742 -1.492 20.157 503 HH22 ARG 67 HH22 ARG 67 15.689 -2.043 21.511 504 HA PRO 68 HA PRO 68 12.768 9.080 22.897 505 HB2 PRO 68 HB2 PRO 68 14.972 9.919 21.186 506 HB3 PRO 68 HB3 PRO 68 14.595 10.408 22.840 507 HG2 PRO 68 HG2 PRO 68 16.741 8.874 22.223 508 HG3 PRO 68 HG3 PRO 68 15.878 8.744 23.766 509 HD2 PRO 68 HD2 PRO 68 15.681 7.004 21.334 510 HD3 PRO 68 HD3 PRO 68 15.730 6.542 23.051 511 H ASN 69 H ASN 69 13.672 7.238 20.096 512 HA ASN 69 HA ASN 69 11.960 8.958 18.450 513 HB2 ASN 69 HB2 ASN 69 13.445 8.359 16.533 514 HB3 ASN 69 HB3 ASN 69 14.187 9.387 17.746 515 HD21 ASN 69 HD21 ASN 69 16.188 8.740 16.904 516 HD22 ASN 69 HD22 ASN 69 16.886 7.207 17.337 517 H TYR 70 H TYR 70 11.343 6.375 19.877 518 HA TYR 70 HA TYR 70 10.888 4.623 17.589 519 HB2 TYR 70 HB2 TYR 70 10.595 2.895 19.076 520 HB3 TYR 70 HB3 TYR 70 11.581 3.956 20.067 521 HD1 TYR 70 HD1 TYR 70 8.807 1.914 20.130 522 HD2 TYR 70 HD2 TYR 70 10.055 5.777 21.400 523 HE1 TYR 70 HE1 TYR 70 7.053 1.910 21.852 524 HE2 TYR 70 HE2 TYR 70 8.306 5.788 23.114 525 HH TYR 70 HH TYR 70 6.498 2.954 23.913 526 H GLN 71 H GLN 71 9.470 7.005 19.334 527 HA GLN 71 HA GLN 71 7.087 7.077 17.785 528 HB2 GLN 71 HB2 GLN 71 7.055 5.773 20.372 529 HB3 GLN 71 HB3 GLN 71 5.977 7.158 20.359 530 HG2 GLN 71 HG2 GLN 71 4.782 6.283 18.480 531 HG3 GLN 71 HG3 GLN 71 5.949 4.970 18.301 532 HE21 GLN 71 HE21 GLN 71 6.030 3.373 19.868 533 HE22 GLN 71 HE22 GLN 71 4.663 3.019 20.874 534 H PHE 72 H PHE 72 5.680 8.695 19.814 535 HA PHE 72 HA PHE 72 6.890 11.189 19.148 536 HB2 PHE 72 HB2 PHE 72 4.565 10.637 20.999 537 HB3 PHE 72 HB3 PHE 72 4.972 12.183 20.263 538 HD1 PHE 72 HD1 PHE 72 2.542 9.977 20.137 539 HD2 PHE 72 HD2 PHE 72 5.512 11.501 17.498 540 HE1 PHE 72 HE1 PHE 72 1.117 9.413 18.214 541 HE2 PHE 72 HE2 PHE 72 4.089 10.948 15.570 542 HZ PHE 72 HZ PHE 72 1.887 9.901 15.926 543 H THR 73 H THR 73 8.409 9.410 20.989 544 HA THR 73 HA THR 73 8.426 10.367 23.616 545 HB THR 73 HB THR 73 10.810 9.365 22.053 546 HG1 THR 73 HG1 THR 73 10.139 7.286 22.804 547 HG21 THR 73 HG21 THR 73 10.166 9.228 24.999 548 HG22 THR 73 HG22 THR 73 11.355 10.294 24.249 549 HG23 THR 73 HG23 THR 73 11.590 8.545 24.212 550 H ASN 74 H ASN 74 10.277 11.399 20.760 551 HA ASN 74 HA ASN 74 11.427 13.612 22.290 552 HB2 ASN 74 HB2 ASN 74 12.858 12.135 20.824 553 HB3 ASN 74 HB3 ASN 74 12.021 12.818 19.433 554 HD21 ASN 74 HD21 ASN 74 13.799 13.776 18.548 555 HD22 ASN 74 HD22 ASN 74 14.602 15.134 19.264 556 H LEU 75 H LEU 75 8.577 13.272 21.041 557 HA LEU 75 HA LEU 75 8.365 15.285 19.047 558 HB2 LEU 75 HB2 LEU 75 6.726 13.432 19.433 559 HB3 LEU 75 HB3 LEU 75 6.190 14.274 20.874 560 HG LEU 75 HG LEU 75 5.474 16.184 19.480 561 HD11 LEU 75 HD11 LEU 75 5.401 15.957 17.052 562 HD12 LEU 75 HD12 LEU 75 6.241 14.411 17.164 563 HD13 LEU 75 HD13 LEU 75 7.061 15.895 17.643 564 HD21 LEU 75 HD21 LEU 75 3.547 15.091 18.461 565 HD22 LEU 75 HD22 LEU 75 3.888 14.414 20.053 566 HD23 LEU 75 HD23 LEU 75 4.349 13.527 18.601 567 H LYS 76 H LYS 76 8.811 15.429 22.386 568 HA LYS 76 HA LYS 76 7.516 17.909 22.892 569 HB2 LYS 76 HB2 LYS 76 9.053 17.926 24.941 570 HB3 LYS 76 HB3 LYS 76 7.893 16.616 24.810 571 HG2 LYS 76 HG2 LYS 76 9.907 15.655 25.567 572 HG3 LYS 76 HG3 LYS 76 9.760 15.200 23.873 573 HD2 LYS 76 HD2 LYS 76 11.321 17.011 23.275 574 HD3 LYS 76 HD3 LYS 76 11.480 17.419 24.984 575 HE2 LYS 76 HE2 LYS 76 12.375 15.191 25.435 576 HE3 LYS 76 HE3 LYS 76 12.207 14.772 23.731 577 HZ1 LYS 76 HZ1 LYS 76 14.474 15.402 24.244 578 HZ2 LYS 76 HZ2 LYS 76 13.957 16.904 24.840 579 HZ3 LYS 76 HZ3 LYS 76 13.784 16.543 23.197 580 H ALA 77 H ALA 77 10.312 17.116 21.192 581 HA ALA 77 HA ALA 77 11.622 19.677 21.653 582 HB1 ALA 77 HB1 ALA 77 13.347 18.834 20.132 583 HB2 ALA 77 HB2 ALA 77 12.360 17.410 19.800 584 HB3 ALA 77 HB3 ALA 77 13.004 17.680 21.420 585 H ALA 78 H ALA 78 9.091 18.621 19.867 586 HA ALA 78 HA ALA 78 9.627 19.825 17.327 587 HB1 ALA 78 HB1 ALA 78 7.071 18.821 18.576 588 HB2 ALA 78 HB2 ALA 78 8.133 17.932 17.483 589 HB3 ALA 78 HB3 ALA 78 7.235 19.333 16.897 590 H LYS 79 H LYS 79 8.739 21.712 16.476 591 HA LYS 79 HA LYS 79 7.597 23.592 18.437 592 HB2 LYS 79 HB2 LYS 79 9.011 24.217 15.834 593 HB3 LYS 79 HB3 LYS 79 8.337 25.405 16.938 594 HG2 LYS 79 HG2 LYS 79 10.493 25.514 17.603 595 HG3 LYS 79 HG3 LYS 79 9.982 24.177 18.633 596 HD2 LYS 79 HD2 LYS 79 12.102 23.670 17.536 597 HD3 LYS 79 HD3 LYS 79 10.830 22.580 16.974 598 HE2 LYS 79 HE2 LYS 79 10.537 23.964 14.974 599 HE3 LYS 79 HE3 LYS 79 11.813 25.043 15.533 600 HZ1 LYS 79 HZ1 LYS 79 13.433 23.395 15.215 601 HZ2 LYS 79 HZ2 LYS 79 12.440 23.288 13.842 602 HZ3 LYS 79 HZ3 LYS 79 12.282 22.155 15.092 603 H LYS 80 H LYS 80 6.470 25.427 16.729 604 HA LYS 80 HA LYS 80 4.082 24.033 15.967 605 HB2 LYS 80 HB2 LYS 80 3.174 26.214 15.473 606 HB3 LYS 80 HB3 LYS 80 4.021 26.254 17.009 607 HG2 LYS 80 HG2 LYS 80 5.978 27.248 15.796 608 HG3 LYS 80 HG3 LYS 80 4.933 27.388 14.379 609 HD2 LYS 80 HD2 LYS 80 4.484 28.663 17.076 610 HD3 LYS 80 HD3 LYS 80 4.983 29.486 15.599 611 HE2 LYS 80 HE2 LYS 80 2.381 27.998 15.925 612 HE3 LYS 80 HE3 LYS 80 2.563 29.736 16.147 613 HZ1 LYS 80 HZ1 LYS 80 3.169 28.281 13.623 614 HZ2 LYS 80 HZ2 LYS 80 3.215 29.962 13.856 615 HZ3 LYS 80 HZ3 LYS 80 1.739 29.136 13.930 616 H GLY 81 H GLY 81 6.950 24.777 14.387 617 HA2 GLY 81 HA2 GLY 81 5.672 24.085 11.812 618 HA3 GLY 81 HA3 GLY 81 6.972 25.268 11.912 619 H SER 82 H SER 82 6.338 21.952 13.031 620 HA SER 82 HA SER 82 9.108 21.254 12.854 621 HB2 SER 82 HB2 SER 82 6.633 19.631 13.446 622 HB3 SER 82 HB3 SER 82 8.282 19.014 13.560 623 HG SER 82 HG SER 82 8.708 20.477 15.182 624 H MET 83 H MET 83 6.708 21.441 10.555 625 HA MET 83 HA MET 83 6.201 20.448 8.582 626 HB2 MET 83 HB2 MET 83 9.194 20.383 8.642 627 HB3 MET 83 HB3 MET 83 8.317 19.703 7.277 628 HG2 MET 83 HG2 MET 83 7.577 22.431 8.141 629 HG3 MET 83 HG3 MET 83 9.136 22.225 7.357 630 HE1 MET 83 HE1 MET 83 5.212 21.878 6.944 631 HE2 MET 83 HE2 MET 83 5.792 20.224 6.744 632 HE3 MET 83 HE3 MET 83 5.107 21.097 5.366 633 H VAL 84 H VAL 84 5.017 18.748 9.454 634 HA VAL 84 HA VAL 84 6.307 16.189 9.891 635 HB VAL 84 HB VAL 84 3.380 16.942 9.907 636 HG11 VAL 84 HG11 VAL 84 4.741 14.430 10.864 637 HG12 VAL 84 HG12 VAL 84 3.696 14.574 9.449 638 HG13 VAL 84 HG13 VAL 84 3.032 14.815 11.067 639 HG21 VAL 84 HG21 VAL 84 3.578 16.857 12.343 640 HG22 VAL 84 HG22 VAL 84 4.632 18.088 11.648 641 HG23 VAL 84 HG23 VAL 84 5.308 16.552 12.190 642 H TYR 85 H TYR 85 6.514 14.644 8.380 643 HA TYR 85 HA TYR 85 5.015 14.996 5.869 644 HB2 TYR 85 HB2 TYR 85 7.682 13.619 6.269 645 HB3 TYR 85 HB3 TYR 85 6.848 13.842 4.734 646 HD1 TYR 85 HD1 TYR 85 9.190 15.221 7.024 647 HD2 TYR 85 HD2 TYR 85 6.408 16.273 3.986 648 HE1 TYR 85 HE1 TYR 85 10.326 17.384 6.743 649 HE2 TYR 85 HE2 TYR 85 7.533 18.439 3.693 650 HH TYR 85 HH TYR 85 8.960 19.959 4.993 651 H PHE 86 H PHE 86 3.330 13.676 5.899 652 HA PHE 86 HA PHE 86 3.601 11.029 7.118 653 HB2 PHE 86 HB2 PHE 86 1.677 12.532 7.733 654 HB3 PHE 86 HB3 PHE 86 1.092 12.357 6.082 655 HD1 PHE 86 HD1 PHE 86 2.284 10.111 8.821 656 HD2 PHE 86 HD2 PHE 86 -0.620 10.871 5.807 657 HE1 PHE 86 HE1 PHE 86 1.066 8.081 9.486 658 HE2 PHE 86 HE2 PHE 86 -1.838 8.839 6.465 659 HZ PHE 86 HZ PHE 86 -0.998 7.442 8.308 660 H LYS 87 H LYS 87 4.157 9.422 5.852 661 HA LYS 87 HA LYS 87 3.775 9.633 2.965 662 HB2 LYS 87 HB2 LYS 87 5.267 7.531 4.550 663 HB3 LYS 87 HB3 LYS 87 5.320 7.766 2.812 664 HG2 LYS 87 HG2 LYS 87 6.298 9.752 4.846 665 HG3 LYS 87 HG3 LYS 87 7.316 8.613 3.963 666 HD2 LYS 87 HD2 LYS 87 6.658 9.640 1.855 667 HD3 LYS 87 HD3 LYS 87 5.598 10.757 2.715 668 HE2 LYS 87 HE2 LYS 87 7.700 11.843 2.134 669 HE3 LYS 87 HE3 LYS 87 7.534 11.694 3.882 670 HZ1 LYS 87 HZ1 LYS 87 9.772 11.137 3.046 671 HZ2 LYS 87 HZ2 LYS 87 9.111 9.831 2.189 672 HZ3 LYS 87 HZ3 LYS 87 9.042 9.855 3.890 673 H VAL 88 H VAL 88 1.664 9.110 2.555 674 HA VAL 88 HA VAL 88 0.880 6.370 3.287 675 HB VAL 88 HB VAL 88 -0.354 7.865 4.752 676 HG11 VAL 88 HG11 VAL 88 -1.936 9.514 3.885 677 HG12 VAL 88 HG12 VAL 88 -1.387 9.178 2.243 678 HG13 VAL 88 HG13 VAL 88 -0.279 9.893 3.415 679 HG21 VAL 88 HG21 VAL 88 -2.116 6.725 2.588 680 HG22 VAL 88 HG22 VAL 88 -2.634 7.165 4.215 681 HG23 VAL 88 HG23 VAL 88 -1.480 5.851 3.982 682 H GLY 89 H GLY 89 0.139 5.164 1.657 683 HA2 GLY 89 HA2 GLY 89 -0.368 4.540 -0.497 684 HA3 GLY 89 HA3 GLY 89 -1.180 6.092 -0.645 685 H ASN 90 H ASN 90 2.199 5.772 0.121 686 HA ASN 90 HA ASN 90 4.112 6.367 -0.917 687 HB2 ASN 90 HB2 ASN 90 2.539 5.987 -3.457 688 HB3 ASN 90 HB3 ASN 90 4.277 6.243 -3.387 689 HD21 ASN 90 HD21 ASN 90 1.693 3.994 -2.993 690 HD22 ASN 90 HD22 ASN 90 2.672 2.599 -2.678 691 H GLU 91 H GLU 91 1.502 8.209 -0.703 692 HA GLU 91 HA GLU 91 2.508 10.519 -2.173 693 HB2 GLU 91 HB2 GLU 91 0.072 10.186 -0.408 694 HB3 GLU 91 HB3 GLU 91 0.459 11.626 -1.335 695 HG2 GLU 91 HG2 GLU 91 -0.022 8.927 -2.567 696 HG3 GLU 91 HG3 GLU 91 -1.276 10.143 -2.339 697 H THR 92 H THR 92 3.124 12.459 -1.128 698 HA THR 92 HA THR 92 3.863 12.125 1.702 699 HB THR 92 HB THR 92 5.032 14.037 -0.339 700 HG1 THR 92 HG1 THR 92 5.470 11.616 -0.437 701 HG21 THR 92 HG21 THR 92 6.752 14.444 1.350 702 HG22 THR 92 HG22 THR 92 5.916 13.371 2.472 703 HG23 THR 92 HG23 THR 92 5.155 14.877 1.961 704 H ARG 93 H ARG 93 2.417 13.081 2.996 705 HA ARG 93 HA ARG 93 1.255 15.644 2.134 706 HB2 ARG 93 HB2 ARG 93 0.378 13.854 4.411 707 HB3 ARG 93 HB3 ARG 93 -0.441 15.309 3.860 708 HG2 ARG 93 HG2 ARG 93 -0.173 12.684 2.426 709 HG3 ARG 93 HG3 ARG 93 -1.645 13.459 3.017 710 HD2 ARG 93 HD2 ARG 93 0.129 14.410 0.772 711 HD3 ARG 93 HD3 ARG 93 -1.481 13.712 0.614 712 HE ARG 93 HE ARG 93 -2.138 15.788 2.043 713 HH11 ARG 93 HH11 ARG 93 0.406 15.676 -0.366 714 HH12 ARG 93 HH12 ARG 93 0.177 17.318 -0.889 715 HH21 ARG 93 HH21 ARG 93 -2.448 17.954 1.358 716 HH22 ARG 93 HH22 ARG 93 -1.448 18.617 0.096 717 H LYS 94 H LYS 94 1.722 17.497 3.206 718 HA LYS 94 HA LYS 94 3.651 17.260 5.405 719 HB2 LYS 94 HB2 LYS 94 3.047 19.847 4.005 720 HB3 LYS 94 HB3 LYS 94 4.496 19.377 4.869 721 HG2 LYS 94 HG2 LYS 94 5.254 19.297 2.727 722 HG3 LYS 94 HG3 LYS 94 4.714 17.629 2.925 723 HD2 LYS 94 HD2 LYS 94 2.704 18.046 1.731 724 HD3 LYS 94 HD3 LYS 94 2.961 19.792 1.776 725 HE2 LYS 94 HE2 LYS 94 5.011 19.449 0.394 726 HE3 LYS 94 HE3 LYS 94 4.559 17.750 0.244 727 HZ1 LYS 94 HZ1 LYS 94 2.668 19.891 -0.519 728 HZ2 LYS 94 HZ2 LYS 94 2.710 18.269 -1.034 729 HZ3 LYS 94 HZ3 LYS 94 3.868 19.363 -1.594 730 H TYR 95 H TYR 95 3.124 17.894 7.396 731 HA TYR 95 HA TYR 95 0.638 19.441 7.733 732 HB2 TYR 95 HB2 TYR 95 1.669 17.202 9.486 733 HB3 TYR 95 HB3 TYR 95 0.259 18.193 9.836 734 HD1 TYR 95 HD1 TYR 95 1.570 15.419 7.884 735 HD2 TYR 95 HD2 TYR 95 -1.776 17.973 8.467 736 HE1 TYR 95 HE1 TYR 95 0.159 13.861 6.608 737 HE2 TYR 95 HE2 TYR 95 -3.194 16.424 7.193 738 HH TYR 95 HH TYR 95 -2.891 14.684 5.446 739 H LYS 96 H LYS 96 0.623 21.037 9.303 740 HA LYS 96 HA LYS 96 3.269 21.689 10.441 741 HB2 LYS 96 HB2 LYS 96 1.926 23.222 8.710 742 HB3 LYS 96 HB3 LYS 96 1.144 23.764 10.180 743 HG2 LYS 96 HG2 LYS 96 2.931 25.241 9.660 744 HG3 LYS 96 HG3 LYS 96 3.379 24.316 11.097 745 HD2 LYS 96 HD2 LYS 96 5.322 24.107 9.904 746 HD3 LYS 96 HD3 LYS 96 4.439 22.720 9.260 747 HE2 LYS 96 HE2 LYS 96 5.364 23.855 7.401 748 HE3 LYS 96 HE3 LYS 96 3.637 24.211 7.411 749 HZ1 LYS 96 HZ1 LYS 96 4.101 26.361 8.391 750 HZ2 LYS 96 HZ2 LYS 96 4.992 26.176 6.954 751 HZ3 LYS 96 HZ3 LYS 96 5.760 26.011 8.454 752 H MET 97 H MET 97 3.424 21.890 12.617 753 HA MET 97 HA MET 97 1.220 21.046 14.245 754 HB2 MET 97 HB2 MET 97 3.996 22.022 14.935 755 HB3 MET 97 HB3 MET 97 2.841 21.454 16.130 756 HG2 MET 97 HG2 MET 97 3.961 19.832 13.862 757 HG3 MET 97 HG3 MET 97 4.479 19.749 15.547 758 HE1 MET 97 HE1 MET 97 4.093 17.239 15.906 759 HE2 MET 97 HE2 MET 97 3.774 17.117 14.175 760 HE3 MET 97 HE3 MET 97 2.670 16.363 15.330 761 H THR 98 H THR 98 -0.057 22.974 13.374 762 HA THR 98 HA THR 98 0.686 25.565 14.382 763 HB THR 98 HB THR 98 -0.338 25.430 12.201 764 HG1 THR 98 HG1 THR 98 -2.425 26.588 13.697 765 HG21 THR 98 HG21 THR 98 -1.673 23.440 12.466 766 HG22 THR 98 HG22 THR 98 -2.696 24.773 11.924 767 HG23 THR 98 HG23 THR 98 -2.730 24.262 13.614 768 H SER 99 H SER 99 -1.102 22.944 15.620 769 HA SER 99 HA SER 99 -1.958 24.674 17.828 770 HB2 SER 99 HB2 SER 99 -3.610 22.415 16.686 771 HB3 SER 99 HB3 SER 99 -4.058 23.457 18.034 772 HG SER 99 HG SER 99 -3.457 25.048 16.028 773 H ILE 100 H ILE 100 -0.450 24.075 19.267 774 HA ILE 100 HA ILE 100 -0.116 21.197 19.838 775 HB ILE 100 HB ILE 100 1.888 23.418 20.294 776 HG12 ILE 100 HG12 ILE 100 1.965 21.146 18.300 777 HG13 ILE 100 HG13 ILE 100 1.608 22.824 17.903 778 HG21 ILE 100 HG21 ILE 100 3.437 21.568 20.848 779 HG22 ILE 100 HG22 ILE 100 2.079 20.444 20.750 780 HG23 ILE 100 HG23 ILE 100 2.091 21.711 21.982 781 HD11 ILE 100 HD11 ILE 100 3.913 22.267 17.380 782 HD12 ILE 100 HD12 ILE 100 4.192 21.797 19.056 783 HD13 ILE 100 HD13 ILE 100 3.834 23.477 18.658 784 H ARG 101 H ARG 101 -0.704 20.542 21.845 785 HA ARG 101 HA ARG 101 -0.010 22.087 24.137 786 HB2 ARG 101 HB2 ARG 101 -2.211 22.485 25.067 787 HB3 ARG 101 HB3 ARG 101 -2.081 23.285 23.508 788 HG2 ARG 101 HG2 ARG 101 -3.312 21.404 22.488 789 HG3 ARG 101 HG3 ARG 101 -3.516 20.707 24.097 790 HD2 ARG 101 HD2 ARG 101 -4.506 23.404 23.188 791 HD3 ARG 101 HD3 ARG 101 -5.492 21.962 23.412 792 HE ARG 101 HE ARG 101 -4.448 22.241 25.843 793 HH11 ARG 101 HH11 ARG 101 -5.814 24.654 23.703 794 HH12 ARG 101 HH12 ARG 101 -6.471 25.614 25.002 795 HH21 ARG 101 HH21 ARG 101 -5.275 23.518 27.555 796 HH22 ARG 101 HH22 ARG 101 -6.143 24.979 27.180 797 H ASP 102 H ASP 102 -1.331 20.965 26.127 798 HA ASP 102 HA ASP 102 -1.649 18.120 25.599 799 HB2 ASP 102 HB2 ASP 102 -0.259 17.484 27.536 800 HB3 ASP 102 HB3 ASP 102 0.684 18.283 26.288 801 H VAL 103 H VAL 103 -3.368 17.336 26.586 802 HA VAL 103 HA VAL 103 -4.656 19.069 28.582 803 HB VAL 103 HB VAL 103 -6.814 18.085 27.824 804 HG11 VAL 103 HG11 VAL 103 -6.090 20.256 26.998 805 HG12 VAL 103 HG12 VAL 103 -6.953 19.372 25.737 806 HG13 VAL 103 HG13 VAL 103 -5.191 19.478 25.695 807 HG21 VAL 103 HG21 VAL 103 -5.931 16.012 26.868 808 HG22 VAL 103 HG22 VAL 103 -5.141 16.937 25.591 809 HG23 VAL 103 HG23 VAL 103 -6.901 16.900 25.694 810 H LYS 104 H LYS 104 -6.375 17.751 29.840 811 HA LYS 104 HA LYS 104 -5.097 15.288 30.829 812 HB2 LYS 104 HB2 LYS 104 -6.570 16.454 32.949 813 HB3 LYS 104 HB3 LYS 104 -4.829 16.257 32.839 814 HG2 LYS 104 HG2 LYS 104 -6.291 18.634 31.717 815 HG3 LYS 104 HG3 LYS 104 -5.645 18.575 33.358 816 HD2 LYS 104 HD2 LYS 104 -3.423 18.448 32.590 817 HD3 LYS 104 HD3 LYS 104 -3.924 18.025 30.952 818 HE2 LYS 104 HE2 LYS 104 -3.308 20.256 30.755 819 HE3 LYS 104 HE3 LYS 104 -5.060 20.338 30.943 820 HZ1 LYS 104 HZ1 LYS 104 -4.810 20.958 33.218 821 HZ2 LYS 104 HZ2 LYS 104 -3.793 21.964 32.305 822 HZ3 LYS 104 HZ3 LYS 104 -3.140 20.673 33.181 823 HA PRO 105 HA PRO 105 -9.089 13.294 30.565 824 HB2 PRO 105 HB2 PRO 105 -8.895 12.522 33.420 825 HB3 PRO 105 HB3 PRO 105 -9.071 11.501 31.989 826 HG2 PRO 105 HG2 PRO 105 -6.755 11.637 33.311 827 HG3 PRO 105 HG3 PRO 105 -6.800 11.508 31.543 828 HD2 PRO 105 HD2 PRO 105 -6.289 13.907 33.260 829 HD3 PRO 105 HD3 PRO 105 -5.513 13.422 31.738 830 H THR 106 H THR 106 -8.401 15.630 32.972 831 HA THR 106 HA THR 106 -11.266 16.060 33.476 832 HB THR 106 HB THR 106 -9.949 15.643 35.507 833 HG1 THR 106 HG1 THR 106 -10.980 18.265 35.128 834 HG21 THR 106 HG21 THR 106 -8.271 17.272 36.259 835 HG22 THR 106 HG22 THR 106 -8.414 18.123 34.721 836 HG23 THR 106 HG23 THR 106 -7.782 16.477 34.762 837 H ASP 107 H ASP 107 -9.252 16.991 31.277 838 HA ASP 107 HA ASP 107 -9.585 19.885 31.514 839 HB2 ASP 107 HB2 ASP 107 -7.387 18.896 30.778 840 HB3 ASP 107 HB3 ASP 107 -8.195 18.321 29.323 841 H VAL 108 H VAL 108 -10.657 21.082 29.814 842 HA VAL 108 HA VAL 108 -12.870 19.469 28.741 843 HB VAL 108 HB VAL 108 -14.288 21.458 28.967 844 HG11 VAL 108 HG11 VAL 108 -14.418 21.481 31.416 845 HG12 VAL 108 HG12 VAL 108 -12.834 20.708 31.504 846 HG13 VAL 108 HG13 VAL 108 -14.198 19.844 30.795 847 HG21 VAL 108 HG21 VAL 108 -13.496 23.422 30.180 848 HG22 VAL 108 HG22 VAL 108 -12.544 23.168 28.714 849 HG23 VAL 108 HG23 VAL 108 -11.882 22.717 30.289 850 H GLU 109 H GLU 109 -10.195 21.023 27.618 851 HA GLU 109 HA GLU 109 -11.353 22.606 25.530 852 HB2 GLU 109 HB2 GLU 109 -8.558 21.472 25.675 853 HB3 GLU 109 HB3 GLU 109 -9.097 22.810 24.670 854 HG2 GLU 109 HG2 GLU 109 -8.959 22.761 27.671 855 HG3 GLU 109 HG3 GLU 109 -7.884 23.632 26.579 856 H VAL 110 H VAL 110 -10.985 19.307 25.975 857 HA VAL 110 HA VAL 110 -10.819 18.690 23.130 858 HB VAL 110 HB VAL 110 -10.733 16.315 23.876 859 HG11 VAL 110 HG11 VAL 110 -8.694 17.566 23.457 860 HG12 VAL 110 HG12 VAL 110 -8.468 16.453 24.807 861 HG13 VAL 110 HG13 VAL 110 -8.708 18.175 25.111 862 HG21 VAL 110 HG21 VAL 110 -11.967 16.561 25.977 863 HG22 VAL 110 HG22 VAL 110 -10.648 17.527 26.639 864 HG23 VAL 110 HG23 VAL 110 -10.386 15.827 26.246 865 H LEU 111 H LEU 111 -13.254 19.302 25.367 866 HA LEU 111 HA LEU 111 -15.099 17.460 24.040 867 HB2 LEU 111 HB2 LEU 111 -16.699 17.999 25.835 868 HB3 LEU 111 HB3 LEU 111 -15.212 17.278 26.411 869 HG LEU 111 HG LEU 111 -14.475 19.684 26.948 870 HD11 LEU 111 HD11 LEU 111 -17.451 20.127 26.801 871 HD12 LEU 111 HD12 LEU 111 -16.278 20.771 25.654 872 HD13 LEU 111 HD13 LEU 111 -16.232 21.281 27.344 873 HD21 LEU 111 HD21 LEU 111 -15.028 18.002 28.618 874 HD22 LEU 111 HD22 LEU 111 -16.739 18.393 28.460 875 HD23 LEU 111 HD23 LEU 111 -15.617 19.591 29.106 876 H ASP 112 H ASP 112 -14.074 20.623 23.862 877 HA ASP 112 HA ASP 112 -16.590 21.709 22.936 878 HB2 ASP 112 HB2 ASP 112 -14.833 23.120 24.066 879 HB3 ASP 112 HB3 ASP 112 -13.831 22.909 22.635 880 H GLU 113 H GLU 113 -16.738 22.637 20.748 881 HA GLU 113 HA GLU 113 -16.338 20.634 18.822 882 HB2 GLU 113 HB2 GLU 113 -17.089 22.391 17.206 883 HB3 GLU 113 HB3 GLU 113 -18.165 22.149 18.574 884 HG2 GLU 113 HG2 GLU 113 -17.414 24.142 19.624 885 HG3 GLU 113 HG3 GLU 113 -16.105 24.332 18.457 886 H GLN 114 H GLN 114 -14.625 20.147 17.625 887 HA GLN 114 HA GLN 114 -12.400 21.992 17.435 888 HB2 GLN 114 HB2 GLN 114 -12.790 19.279 16.149 889 HB3 GLN 114 HB3 GLN 114 -11.288 20.193 16.207 890 HG2 GLN 114 HG2 GLN 114 -12.773 19.099 18.582 891 HG3 GLN 114 HG3 GLN 114 -11.320 18.412 17.864 892 HE21 GLN 114 HE21 GLN 114 -11.884 19.492 20.572 893 HE22 GLN 114 HE22 GLN 114 -10.673 20.694 20.848 894 H LYS 115 H LYS 115 -11.879 23.175 15.647 895 HA LYS 115 HA LYS 115 -14.115 23.873 14.047 896 HB2 LYS 115 HB2 LYS 115 -11.257 24.801 13.915 897 HB3 LYS 115 HB3 LYS 115 -12.582 25.512 13.001 898 HG2 LYS 115 HG2 LYS 115 -12.341 25.413 15.998 899 HG3 LYS 115 HG3 LYS 115 -12.104 26.833 14.977 900 HD2 LYS 115 HD2 LYS 115 -14.428 26.761 14.292 901 HD3 LYS 115 HD3 LYS 115 -14.678 25.272 15.204 902 HE2 LYS 115 HE2 LYS 115 -14.205 26.454 17.284 903 HE3 LYS 115 HE3 LYS 115 -13.907 27.939 16.382 904 HZ1 LYS 115 HZ1 LYS 115 -16.495 26.476 16.498 905 HZ2 LYS 115 HZ2 LYS 115 -16.204 27.910 15.638 906 HZ3 LYS 115 HZ3 LYS 115 -16.125 27.908 17.332 907 H GLY 116 H GLY 116 -14.151 24.121 11.775 908 HA2 GLY 116 HA2 GLY 116 -13.625 21.660 10.447 909 HA3 GLY 116 HA3 GLY 116 -14.261 23.125 9.714 910 H LYS 117 H LYS 117 -11.228 22.161 11.240 911 HA LYS 117 HA LYS 117 -9.512 23.569 9.501 912 HB2 LYS 117 HB2 LYS 117 -8.987 21.030 11.061 913 HB3 LYS 117 HB3 LYS 117 -7.750 22.062 10.360 914 HG2 LYS 117 HG2 LYS 117 -9.703 22.990 12.453 915 HG3 LYS 117 HG3 LYS 117 -8.106 22.336 12.819 916 HD2 LYS 117 HD2 LYS 117 -7.086 24.115 11.459 917 HD3 LYS 117 HD3 LYS 117 -8.692 24.776 11.144 918 HE2 LYS 117 HE2 LYS 117 -7.604 26.019 12.918 919 HE3 LYS 117 HE3 LYS 117 -9.004 25.153 13.546 920 HZ1 LYS 117 HZ1 LYS 117 -6.224 24.134 13.757 921 HZ2 LYS 117 HZ2 LYS 117 -7.603 23.537 14.548 922 HZ3 LYS 117 HZ3 LYS 117 -6.973 25.054 14.962 923 H ASP 118 H ASP 118 -7.802 22.337 8.152 924 HA ASP 118 HA ASP 118 -9.076 20.660 6.176 925 HB2 ASP 118 HB2 ASP 118 -7.071 22.370 5.931 926 HB3 ASP 118 HB3 ASP 118 -6.095 20.986 6.403 927 H LYS 119 H LYS 119 -6.858 18.821 5.749 928 HA LYS 119 HA LYS 119 -7.461 16.771 7.601 929 HB2 LYS 119 HB2 LYS 119 -5.367 17.146 5.501 930 HB3 LYS 119 HB3 LYS 119 -5.155 15.854 6.671 931 HG2 LYS 119 HG2 LYS 119 -6.199 15.051 4.624 932 HG3 LYS 119 HG3 LYS 119 -7.277 14.873 6.008 933 HD2 LYS 119 HD2 LYS 119 -8.575 16.754 5.332 934 HD3 LYS 119 HD3 LYS 119 -7.399 17.194 4.091 935 HE2 LYS 119 HE2 LYS 119 -9.302 16.126 3.061 936 HE3 LYS 119 HE3 LYS 119 -7.889 15.084 2.917 937 HZ1 LYS 119 HZ1 LYS 119 -9.703 13.735 3.540 938 HZ2 LYS 119 HZ2 LYS 119 -10.174 14.790 4.779 939 HZ3 LYS 119 HZ3 LYS 119 -8.744 13.898 4.928 940 H GLN 120 H GLN 120 -7.113 17.108 9.691 941 HA GLN 120 HA GLN 120 -4.544 18.253 10.514 942 HB2 GLN 120 HB2 GLN 120 -5.607 18.554 12.735 943 HB3 GLN 120 HB3 GLN 120 -6.446 19.415 11.455 944 HG2 GLN 120 HG2 GLN 120 -8.138 17.660 11.380 945 HG3 GLN 120 HG3 GLN 120 -7.291 16.787 12.655 946 HE21 GLN 120 HE21 GLN 120 -7.367 17.557 14.760 947 HE22 GLN 120 HE22 GLN 120 -8.525 18.738 15.262 948 H LEU 121 H LEU 121 -3.020 16.902 11.052 949 HA LEU 121 HA LEU 121 -3.656 14.145 11.669 950 HB2 LEU 121 HB2 LEU 121 -1.701 14.971 10.207 951 HB3 LEU 121 HB3 LEU 121 -0.920 15.409 11.714 952 HG LEU 121 HG LEU 121 -1.078 13.049 12.446 953 HD11 LEU 121 HD11 LEU 121 -1.584 11.342 10.738 954 HD12 LEU 121 HD12 LEU 121 -2.091 12.624 9.638 955 HD13 LEU 121 HD13 LEU 121 -2.982 12.342 11.132 956 HD21 LEU 121 HD21 LEU 121 0.326 13.501 9.815 957 HD22 LEU 121 HD22 LEU 121 0.681 12.213 10.965 958 HD23 LEU 121 HD23 LEU 121 0.962 13.895 11.413 959 H THR 122 H THR 122 -4.431 13.900 13.657 960 HA THR 122 HA THR 122 -3.505 15.617 15.809 961 HB THR 122 HB THR 122 -5.654 13.492 15.853 962 HG1 THR 122 HG1 THR 122 -6.119 15.162 14.343 963 HG21 THR 122 HG21 THR 122 -4.827 14.130 18.074 964 HG22 THR 122 HG22 THR 122 -6.477 14.707 17.816 965 HG23 THR 122 HG23 THR 122 -5.118 15.828 17.694 966 H LEU 123 H LEU 123 -1.549 14.941 16.513 967 HA LEU 123 HA LEU 123 -1.065 12.115 16.988 968 HB2 LEU 123 HB2 LEU 123 0.736 14.433 17.682 969 HB3 LEU 123 HB3 LEU 123 1.184 12.745 17.556 970 HG LEU 123 HG LEU 123 0.532 14.658 15.322 971 HD11 LEU 123 HD11 LEU 123 2.944 12.948 15.896 972 HD12 LEU 123 HD12 LEU 123 2.811 14.679 16.208 973 HD13 LEU 123 HD13 LEU 123 2.752 14.076 14.551 974 HD21 LEU 123 HD21 LEU 123 0.917 11.669 15.117 975 HD22 LEU 123 HD22 LEU 123 0.750 12.794 13.769 976 HD23 LEU 123 HD23 LEU 123 -0.602 12.528 14.869 977 H ILE 124 H ILE 124 -1.922 11.259 18.748 978 HA ILE 124 HA ILE 124 -2.299 12.924 21.131 979 HB ILE 124 HB ILE 124 -3.314 10.118 20.700 980 HG12 ILE 124 HG12 ILE 124 -4.836 12.680 20.187 981 HG13 ILE 124 HG13 ILE 124 -4.100 11.711 18.914 982 HG21 ILE 124 HG21 ILE 124 -3.290 10.895 23.007 983 HG22 ILE 124 HG22 ILE 124 -4.946 10.749 22.418 984 HG23 ILE 124 HG23 ILE 124 -4.192 12.339 22.545 985 HD11 ILE 124 HD11 ILE 124 -6.285 10.850 20.790 986 HD12 ILE 124 HD12 ILE 124 -5.502 9.808 19.603 987 HD13 ILE 124 HD13 ILE 124 -6.441 11.203 19.068 988 H THR 125 H THR 125 -0.517 12.926 22.358 989 HA THR 125 HA THR 125 1.008 10.446 22.671 990 HB THR 125 HB THR 125 1.683 13.196 23.735 991 HG1 THR 125 HG1 THR 125 1.542 12.539 21.247 992 HG21 THR 125 HG21 THR 125 3.957 12.307 23.866 993 HG22 THR 125 HG22 THR 125 3.396 10.752 23.249 994 HG23 THR 125 HG23 THR 125 2.850 11.322 24.827 995 H CYS 126 H CYS 126 -0.099 9.191 24.086 996 HA CYS 126 HA CYS 126 -1.235 10.366 26.487 997 HB2 CYS 126 HB2 CYS 126 -1.185 7.461 25.644 998 HB3 CYS 126 HB3 CYS 126 -2.185 8.176 26.905 999 H ASP 127 H ASP 127 0.264 10.889 27.951 1000 HA ASP 127 HA ASP 127 1.938 8.729 28.982 1001 HB2 ASP 127 HB2 ASP 127 3.053 10.496 27.259 1002 HB3 ASP 127 HB3 ASP 127 3.303 11.341 28.787 1003 H ASP 128 H ASP 128 3.364 10.135 30.824 1004 HA ASP 128 HA ASP 128 3.204 10.732 33.000 1005 HB2 ASP 128 HB2 ASP 128 2.687 12.931 31.975 1006 HB3 ASP 128 HB3 ASP 128 0.974 12.537 32.049 1007 H TYR 129 H TYR 129 2.543 8.721 33.703 1008 HA TYR 129 HA TYR 129 -0.317 8.177 33.834 1009 HB2 TYR 129 HB2 TYR 129 1.193 6.452 32.913 1010 HB3 TYR 129 HB3 TYR 129 2.041 6.382 34.452 1011 HD1 TYR 129 HD1 TYR 129 -1.280 5.826 32.885 1012 HD2 TYR 129 HD2 TYR 129 1.297 4.954 36.152 1013 HE1 TYR 129 HE1 TYR 129 -2.850 4.099 33.654 1014 HE2 TYR 129 HE2 TYR 129 -0.267 3.228 36.934 1015 HH TYR 129 HH TYR 129 -2.761 2.011 35.044 1016 H ASN 130 H ASN 130 -1.428 8.513 35.614 1017 HA ASN 130 HA ASN 130 -0.024 8.809 38.167 1018 HB2 ASN 130 HB2 ASN 130 -1.680 10.547 37.466 1019 HB3 ASN 130 HB3 ASN 130 -2.941 9.321 37.510 1020 HD21 ASN 130 HD21 ASN 130 -2.399 11.857 39.033 1021 HD22 ASN 130 HD22 ASN 130 -2.562 11.389 40.696 1022 H GLU 131 H GLU 131 0.388 6.899 39.005 1023 HA GLU 131 HA GLU 131 -0.839 4.497 38.321 1024 HB2 GLU 131 HB2 GLU 131 0.719 5.067 40.836 1025 HB3 GLU 131 HB3 GLU 131 0.529 3.511 40.041 1026 HG2 GLU 131 HG2 GLU 131 1.785 4.353 38.113 1027 HG3 GLU 131 HG3 GLU 131 1.979 5.904 38.931 1028 H LYS 132 H LYS 132 -1.446 6.635 41.067 1029 HA LYS 132 HA LYS 132 -2.820 4.691 42.599 1030 HB2 LYS 132 HB2 LYS 132 -2.213 7.553 42.810 1031 HB3 LYS 132 HB3 LYS 132 -3.562 6.943 43.759 1032 HG2 LYS 132 HG2 LYS 132 -2.154 5.258 44.762 1033 HG3 LYS 132 HG3 LYS 132 -0.799 5.759 43.749 1034 HD2 LYS 132 HD2 LYS 132 -2.169 7.649 45.603 1035 HD3 LYS 132 HD3 LYS 132 -0.874 6.589 46.152 1036 HE2 LYS 132 HE2 LYS 132 0.579 7.531 44.375 1037 HE3 LYS 132 HE3 LYS 132 -0.711 8.657 43.964 1038 HZ1 LYS 132 HZ1 LYS 132 1.009 9.602 45.434 1039 HZ2 LYS 132 HZ2 LYS 132 0.576 8.494 46.638 1040 HZ3 LYS 132 HZ3 LYS 132 -0.544 9.659 46.112 1041 H THR 133 H THR 133 -3.869 6.601 39.973 1042 HA THR 133 HA THR 133 -6.613 5.748 40.581 1043 HB THR 133 HB THR 133 -6.714 8.059 40.998 1044 HG1 THR 133 HG1 THR 133 -7.864 7.100 38.701 1045 HG21 THR 133 HG21 THR 133 -5.910 9.750 39.379 1046 HG22 THR 133 HG22 THR 133 -5.190 8.445 38.438 1047 HG23 THR 133 HG23 THR 133 -4.622 8.764 40.074 1048 H GLY 134 H GLY 134 -4.034 5.653 38.465 1049 HA2 GLY 134 HA2 GLY 134 -3.769 4.429 36.550 1050 HA3 GLY 134 HA3 GLY 134 -5.431 3.896 36.730 1051 H VAL 135 H VAL 135 -4.431 7.277 36.383 1052 HA VAL 135 HA VAL 135 -5.747 7.280 33.765 1053 HB VAL 135 HB VAL 135 -6.313 9.599 34.178 1054 HG11 VAL 135 HG11 VAL 135 -7.935 7.927 34.824 1055 HG12 VAL 135 HG12 VAL 135 -7.991 9.295 35.936 1056 HG13 VAL 135 HG13 VAL 135 -7.187 7.802 36.418 1057 HG21 VAL 135 HG21 VAL 135 -4.519 10.338 35.556 1058 HG22 VAL 135 HG22 VAL 135 -4.981 9.214 36.831 1059 HG23 VAL 135 HG23 VAL 135 -6.027 10.579 36.444 1060 H TRP 136 H TRP 136 -4.869 8.629 32.145 1061 HA TRP 136 HA TRP 136 -2.050 9.341 32.491 1062 HB2 TRP 136 HB2 TRP 136 -3.757 9.439 29.984 1063 HB3 TRP 136 HB3 TRP 136 -2.010 9.632 30.068 1064 HD1 TRP 136 HD1 TRP 136 -4.736 6.991 30.051 1065 HE1 TRP 136 HE1 TRP 136 -3.662 4.667 29.794 1066 HE3 TRP 136 HE3 TRP 136 0.169 8.304 30.620 1067 HZ2 TRP 136 HZ2 TRP 136 -1.067 3.540 29.829 1068 HZ3 TRP 136 HZ3 TRP 136 1.884 6.546 30.495 1069 HH2 TRP 136 HH2 TRP 136 1.280 4.214 30.108 1070 H GLU 137 H GLU 137 -1.918 11.291 33.512 1071 HA GLU 137 HA GLU 137 -4.055 13.187 33.297 1072 HB2 GLU 137 HB2 GLU 137 -1.399 13.304 34.713 1073 HB3 GLU 137 HB3 GLU 137 -2.548 14.635 34.724 1074 HG2 GLU 137 HG2 GLU 137 -4.235 13.022 35.670 1075 HG3 GLU 137 HG3 GLU 137 -2.906 11.883 35.871 1076 H LYS 138 H LYS 138 -1.193 12.651 31.523 1077 HA LYS 138 HA LYS 138 -1.582 15.281 30.273 1078 HB2 LYS 138 HB2 LYS 138 0.498 15.219 31.532 1079 HB3 LYS 138 HB3 LYS 138 1.020 13.819 30.617 1080 HG2 LYS 138 HG2 LYS 138 1.058 15.149 28.580 1081 HG3 LYS 138 HG3 LYS 138 0.504 16.560 29.486 1082 HD2 LYS 138 HD2 LYS 138 3.049 15.052 30.073 1083 HD3 LYS 138 HD3 LYS 138 2.967 16.507 29.077 1084 HE2 LYS 138 HE2 LYS 138 1.912 16.447 31.892 1085 HE3 LYS 138 HE3 LYS 138 3.605 16.789 31.540 1086 HZ1 LYS 138 HZ1 LYS 138 2.142 18.788 31.767 1087 HZ2 LYS 138 HZ2 LYS 138 1.360 18.322 30.333 1088 HZ3 LYS 138 HZ3 LYS 138 3.012 18.703 30.318 1089 H ARG 139 H ARG 139 -2.988 14.343 28.859 1090 HA ARG 139 HA ARG 139 -1.834 12.571 26.853 1091 HB2 ARG 139 HB2 ARG 139 -4.134 12.706 25.783 1092 HB3 ARG 139 HB3 ARG 139 -4.039 11.882 27.328 1093 HG2 ARG 139 HG2 ARG 139 -4.927 13.865 28.443 1094 HG3 ARG 139 HG3 ARG 139 -5.012 14.698 26.889 1095 HD2 ARG 139 HD2 ARG 139 -6.610 13.069 26.068 1096 HD3 ARG 139 HD3 ARG 139 -6.473 12.144 27.563 1097 HE ARG 139 HE ARG 139 -7.245 14.778 28.173 1098 HH11 ARG 139 HH11 ARG 139 -8.576 11.908 26.631 1099 HH12 ARG 139 HH12 ARG 139 -10.209 12.260 27.148 1100 HH21 ARG 139 HH21 ARG 139 -9.402 15.236 28.794 1101 HH22 ARG 139 HH22 ARG 139 -10.675 14.157 28.316 1102 H LYS 140 H LYS 140 -0.316 13.865 25.986 1103 HA LYS 140 HA LYS 140 -0.762 16.594 25.310 1104 HB2 LYS 140 HB2 LYS 140 1.456 15.379 25.869 1105 HB3 LYS 140 HB3 LYS 140 1.447 14.892 24.180 1106 HG2 LYS 140 HG2 LYS 140 1.440 17.220 23.487 1107 HG3 LYS 140 HG3 LYS 140 1.384 17.734 25.175 1108 HD2 LYS 140 HD2 LYS 140 3.545 16.425 25.479 1109 HD3 LYS 140 HD3 LYS 140 3.619 16.351 23.717 1110 HE2 LYS 140 HE2 LYS 140 4.936 18.213 24.479 1111 HE3 LYS 140 HE3 LYS 140 3.504 18.821 23.651 1112 HZ1 LYS 140 HZ1 LYS 140 3.799 18.587 26.599 1113 HZ2 LYS 140 HZ2 LYS 140 2.473 19.245 25.773 1114 HZ3 LYS 140 HZ3 LYS 140 3.970 20.023 25.716 1115 H ILE 141 H ILE 141 -1.158 17.516 23.306 1116 HA ILE 141 HA ILE 141 -1.863 15.610 21.193 1117 HB ILE 141 HB ILE 141 -3.897 16.246 22.405 1118 HG12 ILE 141 HG12 ILE 141 -3.739 17.398 19.614 1119 HG13 ILE 141 HG13 ILE 141 -4.006 15.703 20.013 1120 HG21 ILE 141 HG21 ILE 141 -3.205 19.042 21.553 1121 HG22 ILE 141 HG22 ILE 141 -3.300 18.426 23.203 1122 HG23 ILE 141 HG23 ILE 141 -4.763 18.552 22.224 1123 HD11 ILE 141 HD11 ILE 141 -5.851 17.984 20.687 1124 HD12 ILE 141 HD12 ILE 141 -6.116 16.287 21.088 1125 HD13 ILE 141 HD13 ILE 141 -6.083 16.799 19.401 1126 H PHE 142 H PHE 142 -0.959 16.049 19.381 1127 HA PHE 142 HA PHE 142 -0.166 18.817 18.771 1128 HB2 PHE 142 HB2 PHE 142 1.075 16.170 18.037 1129 HB3 PHE 142 HB3 PHE 142 1.418 17.623 17.109 1130 HD1 PHE 142 HD1 PHE 142 1.468 16.364 20.623 1131 HD2 PHE 142 HD2 PHE 142 3.198 18.940 17.711 1132 HE1 PHE 142 HE1 PHE 142 3.251 16.958 22.208 1133 HE2 PHE 142 HE2 PHE 142 4.986 19.535 19.292 1134 HZ PHE 142 HZ PHE 142 5.013 18.544 21.545 1135 H VAL 143 H VAL 143 -1.798 19.605 17.565 1136 HA VAL 143 HA VAL 143 -3.001 17.906 15.510 1137 HB VAL 143 HB VAL 143 -3.747 20.709 16.319 1138 HG11 VAL 143 HG11 VAL 143 -4.450 20.182 14.072 1139 HG12 VAL 143 HG12 VAL 143 -5.851 20.229 15.144 1140 HG13 VAL 143 HG13 VAL 143 -5.184 18.678 14.633 1141 HG21 VAL 143 HG21 VAL 143 -4.046 19.137 18.169 1142 HG22 VAL 143 HG22 VAL 143 -5.023 18.104 17.124 1143 HG23 VAL 143 HG23 VAL 143 -5.594 19.717 17.551 1144 H ALA 144 H ALA 144 -1.545 17.782 13.926 1145 HA ALA 144 HA ALA 144 -0.351 20.220 12.866 1146 HB1 ALA 144 HB1 ALA 144 1.087 18.274 13.202 1147 HB2 ALA 144 HB2 ALA 144 1.009 18.729 11.501 1148 HB3 ALA 144 HB3 ALA 144 0.091 17.340 12.085 1149 H THR 145 H THR 145 -1.664 21.323 11.587 1150 HA THR 145 HA THR 145 -3.679 20.014 9.984 1151 HB THR 145 HB THR 145 -2.927 22.944 9.981 1152 HG1 THR 145 HG1 THR 145 -4.107 21.396 11.906 1153 HG21 THR 145 HG21 THR 145 -5.472 21.485 9.255 1154 HG22 THR 145 HG22 THR 145 -4.379 22.303 8.139 1155 HG23 THR 145 HG23 THR 145 -5.295 23.238 9.323 1156 H GLU 146 H GLU 146 -3.709 19.835 7.775 1157 HA GLU 146 HA GLU 146 -1.252 19.357 6.540 1158 HB2 GLU 146 HB2 GLU 146 -3.386 18.235 5.954 1159 HB3 GLU 146 HB3 GLU 146 -3.938 19.729 5.208 1160 HG2 GLU 146 HG2 GLU 146 -2.251 19.606 3.538 1161 HG3 GLU 146 HG3 GLU 146 -1.459 18.263 4.355 1162 H VAL 147 H VAL 147 0.068 20.494 5.345 1163 HA VAL 147 HA VAL 147 -0.617 23.281 4.686 1164 HB VAL 147 HB VAL 147 2.167 22.167 4.508 1165 HG11 VAL 147 HG11 VAL 147 1.885 24.389 3.683 1166 HG12 VAL 147 HG12 VAL 147 2.747 24.483 5.221 1167 HG13 VAL 147 HG13 VAL 147 1.032 24.880 5.146 1168 HG21 VAL 147 HG21 VAL 147 1.447 21.446 6.701 1169 HG22 VAL 147 HG22 VAL 147 0.858 23.067 7.069 1170 HG23 VAL 147 HG23 VAL 147 2.588 22.785 6.857 1171 H LYS 148 H LYS 148 0.480 24.016 2.585 1172 HA LYS 148 HA LYS 148 -0.397 22.426 0.431 1173 HB2 LYS 148 HB2 LYS 148 1.602 24.684 0.308 1174 HB3 LYS 148 HB3 LYS 148 0.576 24.100 -0.996 1175 HG2 LYS 148 HG2 LYS 148 -1.404 24.795 0.355 1176 HG3 LYS 148 HG3 LYS 148 -0.285 25.550 1.493 1177 HD2 LYS 148 HD2 LYS 148 -1.032 27.250 0.012 1178 HD3 LYS 148 HD3 LYS 148 0.631 26.861 -0.434 1179 HE2 LYS 148 HE2 LYS 148 -0.231 25.383 -2.220 1180 HE3 LYS 148 HE3 LYS 148 -1.870 25.872 -1.803 1181 HZ1 LYS 148 HZ1 LYS 148 -1.213 28.185 -2.323 1182 HZ2 LYS 148 HZ2 LYS 148 -1.124 27.148 -3.663 1183 HZ3 LYS 148 HZ3 LYS 148 0.290 27.615 -2.858 1184 H1 JPT 201 H7 UNK 201 -4.350 8.387 26.676 1185 H11 JPT 201 H11 UNK 201 -5.338 6.217 27.613 1186 H12 JPT 201 H12 UNK 201 -4.004 3.663 23.978 1187 H13 JPT 201 H13 UNK 201 -3.689 6.227 23.602 1188 H62 JPT 201 H62 UNK 201 -7.304 6.849 22.312 1189 H61 JPT 201 H61 UNK 201 -8.811 7.782 22.425 1190 H3 JPT 201 H3 UNK 201 -7.783 9.461 21.140 1191 H4 JPT 201 H4 UNK 201 -6.751 10.426 27.442 1192 H2 JPT 201 H2 UNK 201 -8.871 9.918 23.593 Start of MODEL 13 1 HA MET 1 HA MET 1 -6.350 -0.727 -9.274 2 HB2 MET 1 HB2 MET 1 -5.481 -1.560 -7.218 3 HB3 MET 1 HB3 MET 1 -5.685 -2.945 -8.276 4 HG2 MET 1 HG2 MET 1 -3.080 -1.538 -7.728 5 HG3 MET 1 HG3 MET 1 -3.610 -3.039 -6.978 6 HE1 MET 1 HE1 MET 1 -1.315 -4.184 -7.699 7 HE2 MET 1 HE2 MET 1 -0.797 -2.677 -8.455 8 HE3 MET 1 HE3 MET 1 -0.705 -4.191 -9.354 9 H GLN 2 H GLN 2 -5.543 0.907 -7.813 10 HA GLN 2 HA GLN 2 -2.906 2.000 -8.555 11 HB2 GLN 2 HB2 GLN 2 -5.485 3.426 -7.915 12 HB3 GLN 2 HB3 GLN 2 -3.924 4.221 -7.770 13 HG2 GLN 2 HG2 GLN 2 -4.898 2.942 -10.311 14 HG3 GLN 2 HG3 GLN 2 -5.170 4.636 -9.905 15 HE21 GLN 2 HE21 GLN 2 -3.980 5.449 -11.565 16 HE22 GLN 2 HE22 GLN 2 -2.247 5.333 -11.639 17 H ALA 3 H ALA 3 -2.562 3.824 -6.611 18 HA ALA 3 HA ALA 3 -2.699 2.223 -4.148 19 HB1 ALA 3 HB1 ALA 3 -0.784 4.407 -4.926 20 HB2 ALA 3 HB2 ALA 3 -0.437 2.679 -4.892 21 HB3 ALA 3 HB3 ALA 3 -0.776 3.540 -3.390 22 H LYS 4 H LYS 4 -4.555 2.849 -3.228 23 HA LYS 4 HA LYS 4 -5.053 5.706 -2.834 24 HB2 LYS 4 HB2 LYS 4 -6.901 3.339 -2.630 25 HB3 LYS 4 HB3 LYS 4 -7.358 4.983 -2.221 26 HG2 LYS 4 HG2 LYS 4 -7.153 5.695 -4.466 27 HG3 LYS 4 HG3 LYS 4 -6.357 4.191 -4.940 28 HD2 LYS 4 HD2 LYS 4 -8.745 4.311 -5.618 29 HD3 LYS 4 HD3 LYS 4 -8.378 2.942 -4.569 30 HE2 LYS 4 HE2 LYS 4 -9.195 4.288 -2.639 31 HE3 LYS 4 HE3 LYS 4 -9.694 5.538 -3.779 32 HZ1 LYS 4 HZ1 LYS 4 -11.505 4.018 -3.122 33 HZ2 LYS 4 HZ2 LYS 4 -10.663 2.731 -3.838 34 HZ3 LYS 4 HZ3 LYS 4 -11.217 4.015 -4.794 35 HA PRO 5 HA PRO 5 -3.222 4.712 1.199 36 HB2 PRO 5 HB2 PRO 5 -3.935 7.599 1.444 37 HB3 PRO 5 HB3 PRO 5 -2.440 6.765 1.887 38 HG2 PRO 5 HG2 PRO 5 -2.551 8.234 -0.316 39 HG3 PRO 5 HG3 PRO 5 -1.679 6.690 -0.297 40 HD2 PRO 5 HD2 PRO 5 -4.339 7.340 -1.485 41 HD3 PRO 5 HD3 PRO 5 -3.080 6.235 -2.065 42 H GLN 6 H GLN 6 -4.455 3.672 2.555 43 HA GLN 6 HA GLN 6 -6.540 5.096 3.981 44 HB2 GLN 6 HB2 GLN 6 -8.196 3.321 3.739 45 HB3 GLN 6 HB3 GLN 6 -7.777 3.969 2.161 46 HG2 GLN 6 HG2 GLN 6 -6.427 2.064 1.659 47 HG3 GLN 6 HG3 GLN 6 -6.590 1.456 3.305 48 HE21 GLN 6 HE21 GLN 6 -8.145 1.830 0.219 49 HE22 GLN 6 HE22 GLN 6 -9.496 0.802 0.549 50 H ILE 7 H ILE 7 -7.264 3.750 5.902 51 HA ILE 7 HA ILE 7 -4.946 2.369 7.011 52 HB ILE 7 HB ILE 7 -7.537 3.266 8.295 53 HG12 ILE 7 HG12 ILE 7 -5.798 4.592 9.699 54 HG13 ILE 7 HG13 ILE 7 -4.711 4.279 8.353 55 HG21 ILE 7 HG21 ILE 7 -6.772 1.180 9.309 56 HG22 ILE 7 HG22 ILE 7 -6.617 2.541 10.420 57 HG23 ILE 7 HG23 ILE 7 -5.192 1.909 9.597 58 HD11 ILE 7 HD11 ILE 7 -5.709 6.445 8.121 59 HD12 ILE 7 HD12 ILE 7 -7.326 5.750 8.238 60 HD13 ILE 7 HD13 ILE 7 -6.306 5.380 6.848 61 HA PRO 8 HA PRO 8 -6.934 -1.513 5.794 62 HB2 PRO 8 HB2 PRO 8 -4.572 -2.592 7.215 63 HB3 PRO 8 HB3 PRO 8 -5.148 -2.928 5.579 64 HG2 PRO 8 HG2 PRO 8 -2.971 -1.450 5.974 65 HG3 PRO 8 HG3 PRO 8 -4.134 -1.046 4.694 66 HD2 PRO 8 HD2 PRO 8 -3.801 0.207 7.401 67 HD3 PRO 8 HD3 PRO 8 -4.087 0.987 5.830 68 H LYS 9 H LYS 9 -7.638 -3.413 7.005 69 HA LYS 9 HA LYS 9 -8.168 -2.713 9.784 70 HB2 LYS 9 HB2 LYS 9 -9.811 -4.615 9.740 71 HB3 LYS 9 HB3 LYS 9 -10.196 -3.247 8.710 72 HG2 LYS 9 HG2 LYS 9 -8.742 -5.595 7.586 73 HG3 LYS 9 HG3 LYS 9 -10.492 -5.650 7.816 74 HD2 LYS 9 HD2 LYS 9 -10.783 -3.709 6.421 75 HD3 LYS 9 HD3 LYS 9 -9.035 -3.501 6.287 76 HE2 LYS 9 HE2 LYS 9 -9.827 -4.544 4.294 77 HE3 LYS 9 HE3 LYS 9 -8.907 -5.721 5.229 78 HZ1 LYS 9 HZ1 LYS 9 -11.872 -5.526 5.069 79 HZ2 LYS 9 HZ2 LYS 9 -11.032 -6.592 6.082 80 HZ3 LYS 9 HZ3 LYS 9 -10.903 -6.749 4.399 81 H ASP 10 H ASP 10 -5.930 -4.287 8.110 82 HA ASP 10 HA ASP 10 -5.475 -6.509 9.880 83 HB2 ASP 10 HB2 ASP 10 -4.702 -6.602 7.542 84 HB3 ASP 10 HB3 ASP 10 -3.636 -5.231 7.838 85 H LYS 11 H LYS 11 -4.868 -6.172 11.884 86 HA LYS 11 HA LYS 11 -3.681 -3.642 12.651 87 HB2 LYS 11 HB2 LYS 11 -4.260 -5.918 14.533 88 HB3 LYS 11 HB3 LYS 11 -4.289 -4.186 14.852 89 HG2 LYS 11 HG2 LYS 11 -6.266 -3.989 13.385 90 HG3 LYS 11 HG3 LYS 11 -6.266 -5.739 13.196 91 HD2 LYS 11 HD2 LYS 11 -6.377 -5.770 15.787 92 HD3 LYS 11 HD3 LYS 11 -6.904 -4.091 15.619 93 HE2 LYS 11 HE2 LYS 11 -8.234 -6.587 14.611 94 HE3 LYS 11 HE3 LYS 11 -8.887 -5.339 15.671 95 HZ1 LYS 11 HZ1 LYS 11 -8.698 -3.788 13.726 96 HZ2 LYS 11 HZ2 LYS 11 -9.847 -5.023 13.555 97 HZ3 LYS 11 HZ3 LYS 11 -8.360 -5.141 12.760 98 H SER 12 H SER 12 -1.846 -4.441 11.233 99 HA SER 12 HA SER 12 0.394 -5.003 12.870 100 HB2 SER 12 HB2 SER 12 -0.466 -7.321 12.656 101 HB3 SER 12 HB3 SER 12 -0.370 -7.178 10.902 102 HG SER 12 HG SER 12 1.973 -6.547 11.544 103 H LYS 13 H LYS 13 -1.066 -4.758 9.698 104 HA LYS 13 HA LYS 13 1.069 -4.092 8.089 105 HB2 LYS 13 HB2 LYS 13 -1.770 -3.129 8.220 106 HB3 LYS 13 HB3 LYS 13 -0.655 -2.413 7.070 107 HG2 LYS 13 HG2 LYS 13 -0.834 -5.361 7.101 108 HG3 LYS 13 HG3 LYS 13 -2.226 -4.471 6.481 109 HD2 LYS 13 HD2 LYS 13 -0.803 -4.943 4.629 110 HD3 LYS 13 HD3 LYS 13 -0.651 -3.221 4.992 111 HE2 LYS 13 HE2 LYS 13 1.426 -3.661 6.203 112 HE3 LYS 13 HE3 LYS 13 1.269 -5.382 5.864 113 HZ1 LYS 13 HZ1 LYS 13 1.306 -4.732 3.446 114 HZ2 LYS 13 HZ2 LYS 13 2.766 -4.536 4.288 115 HZ3 LYS 13 HZ3 LYS 13 1.802 -3.188 3.945 116 H VAL 14 H VAL 14 2.161 -2.164 7.605 117 HA VAL 14 HA VAL 14 1.693 0.090 9.397 118 HB VAL 14 HB VAL 14 4.011 -0.445 9.207 119 HG11 VAL 14 HG11 VAL 14 3.709 -0.230 6.220 120 HG12 VAL 14 HG12 VAL 14 3.988 -1.709 7.141 121 HG13 VAL 14 HG13 VAL 14 5.227 -0.454 7.089 122 HG21 VAL 14 HG21 VAL 14 4.944 1.636 8.318 123 HG22 VAL 14 HG22 VAL 14 3.490 1.931 9.272 124 HG23 VAL 14 HG23 VAL 14 3.412 1.973 7.510 125 H ALA 15 H ALA 15 0.214 1.493 8.770 126 HA ALA 15 HA ALA 15 -0.775 1.527 6.073 127 HB1 ALA 15 HB1 ALA 15 -2.278 1.789 7.983 128 HB2 ALA 15 HB2 ALA 15 -2.379 3.167 6.891 129 HB3 ALA 15 HB3 ALA 15 -1.483 3.305 8.404 130 H GLY 16 H GLY 16 1.170 3.643 8.086 131 HA2 GLY 16 HA2 GLY 16 2.133 5.016 5.726 132 HA3 GLY 16 HA3 GLY 16 1.219 6.016 6.849 133 H TYR 17 H TYR 17 3.833 6.598 6.279 134 HA TYR 17 HA TYR 17 5.218 5.786 8.753 135 HB2 TYR 17 HB2 TYR 17 6.434 6.859 6.200 136 HB3 TYR 17 HB3 TYR 17 7.319 6.330 7.625 137 HD1 TYR 17 HD1 TYR 17 5.251 5.197 4.788 138 HD2 TYR 17 HD2 TYR 17 7.733 4.012 8.034 139 HE1 TYR 17 HE1 TYR 17 5.316 2.907 3.895 140 HE2 TYR 17 HE2 TYR 17 7.805 1.720 7.149 141 HH TYR 17 HH TYR 17 6.618 0.916 3.997 142 H ILE 18 H ILE 18 5.764 7.317 10.178 143 HA ILE 18 HA ILE 18 4.849 10.022 9.566 144 HB ILE 18 HB ILE 18 3.859 9.041 11.551 145 HG12 ILE 18 HG12 ILE 18 4.470 10.798 13.208 146 HG13 ILE 18 HG13 ILE 18 5.811 11.260 12.162 147 HG21 ILE 18 HG21 ILE 18 5.585 7.482 12.187 148 HG22 ILE 18 HG22 ILE 18 5.188 8.536 13.546 149 HG23 ILE 18 HG23 ILE 18 6.661 8.814 12.613 150 HD11 ILE 18 HD11 ILE 18 2.894 11.345 11.436 151 HD12 ILE 18 HD12 ILE 18 4.239 11.815 10.389 152 HD13 ILE 18 HD13 ILE 18 3.905 12.728 11.863 153 H GLU 19 H GLU 19 6.337 11.258 8.764 154 HA GLU 19 HA GLU 19 9.080 11.015 9.767 155 HB2 GLU 19 HB2 GLU 19 8.097 11.902 7.048 156 HB3 GLU 19 HB3 GLU 19 9.777 11.980 7.565 157 HG2 GLU 19 HG2 GLU 19 9.833 9.566 7.816 158 HG3 GLU 19 HG3 GLU 19 8.131 9.466 7.371 159 H ILE 20 H ILE 20 9.451 12.504 11.191 160 HA ILE 20 HA ILE 20 8.712 15.287 10.563 161 HB ILE 20 HB ILE 20 8.915 14.194 13.375 162 HG12 ILE 20 HG12 ILE 20 6.371 14.735 11.834 163 HG13 ILE 20 HG13 ILE 20 7.042 13.125 12.075 164 HG21 ILE 20 HG21 ILE 20 7.752 16.744 12.258 165 HG22 ILE 20 HG22 ILE 20 9.261 16.592 13.156 166 HG23 ILE 20 HG23 ILE 20 7.722 16.266 13.955 167 HD11 ILE 20 HD11 ILE 20 6.122 14.999 14.244 168 HD12 ILE 20 HD12 ILE 20 6.799 13.388 14.486 169 HD13 ILE 20 HD13 ILE 20 5.258 13.580 13.651 170 HA PRO 21 HA PRO 21 13.272 15.028 10.699 171 HB2 PRO 21 HB2 PRO 21 13.656 17.393 9.378 172 HB3 PRO 21 HB3 PRO 21 13.355 15.853 8.563 173 HG2 PRO 21 HG2 PRO 21 11.443 18.072 9.190 174 HG3 PRO 21 HG3 PRO 21 11.602 17.117 7.703 175 HD2 PRO 21 HD2 PRO 21 9.680 16.612 9.520 176 HD3 PRO 21 HD3 PRO 21 10.456 15.313 8.589 177 H ASP 22 H ASP 22 11.071 17.337 11.898 178 HA ASP 22 HA ASP 22 13.039 19.004 13.200 179 HB2 ASP 22 HB2 ASP 22 10.890 19.891 12.307 180 HB3 ASP 22 HB3 ASP 22 10.032 18.946 13.512 181 H ALA 23 H ALA 23 11.232 16.148 13.902 182 HA ALA 23 HA ALA 23 12.014 16.350 16.741 183 HB1 ALA 23 HB1 ALA 23 10.154 14.840 17.254 184 HB2 ALA 23 HB2 ALA 23 9.722 14.794 15.545 185 HB3 ALA 23 HB3 ALA 23 9.588 16.303 16.446 186 H ASP 24 H ASP 24 13.186 15.177 14.091 187 HA ASP 24 HA ASP 24 14.664 13.562 13.524 188 HB2 ASP 24 HB2 ASP 24 15.375 14.105 15.965 189 HB3 ASP 24 HB3 ASP 24 14.635 12.561 16.350 190 H ILE 25 H ILE 25 11.702 13.065 13.733 191 HA ILE 25 HA ILE 25 11.548 10.210 14.320 192 HB ILE 25 HB ILE 25 9.412 12.261 13.714 193 HG12 ILE 25 HG12 ILE 25 10.122 10.789 16.264 194 HG13 ILE 25 HG13 ILE 25 10.483 12.477 15.921 195 HG21 ILE 25 HG21 ILE 25 7.789 10.513 14.324 196 HG22 ILE 25 HG22 ILE 25 9.103 9.340 14.421 197 HG23 ILE 25 HG23 ILE 25 8.704 10.092 12.876 198 HD11 ILE 25 HD11 ILE 25 7.732 11.282 16.164 199 HD12 ILE 25 HD12 ILE 25 8.100 12.976 15.842 200 HD13 ILE 25 HD13 ILE 25 8.557 12.251 17.383 201 H LYS 26 H LYS 26 11.726 8.741 12.747 202 HA LYS 26 HA LYS 26 10.647 9.331 10.082 203 HB2 LYS 26 HB2 LYS 26 13.379 8.106 10.567 204 HB3 LYS 26 HB3 LYS 26 12.592 8.229 9.006 205 HG2 LYS 26 HG2 LYS 26 14.047 9.994 8.926 206 HG3 LYS 26 HG3 LYS 26 12.588 10.785 9.519 207 HD2 LYS 26 HD2 LYS 26 14.566 11.504 10.763 208 HD3 LYS 26 HD3 LYS 26 13.430 10.647 11.806 209 HE2 LYS 26 HE2 LYS 26 14.779 8.613 11.600 210 HE3 LYS 26 HE3 LYS 26 15.908 9.467 10.550 211 HZ1 LYS 26 HZ1 LYS 26 16.501 10.915 12.348 212 HZ2 LYS 26 HZ2 LYS 26 16.659 9.310 12.875 213 HZ3 LYS 26 HZ3 LYS 26 15.324 10.235 13.362 214 H GLU 27 H GLU 27 9.168 7.928 11.738 215 HA GLU 27 HA GLU 27 9.943 5.090 11.526 216 HB2 GLU 27 HB2 GLU 27 8.577 6.594 13.752 217 HB3 GLU 27 HB3 GLU 27 8.673 4.839 13.690 218 HG2 GLU 27 HG2 GLU 27 11.132 6.547 13.566 219 HG3 GLU 27 HG3 GLU 27 10.391 6.099 15.100 220 HA PRO 28 HA PRO 28 5.911 4.289 9.825 221 HB2 PRO 28 HB2 PRO 28 5.514 1.731 10.475 222 HB3 PRO 28 HB3 PRO 28 6.830 2.211 9.394 223 HG2 PRO 28 HG2 PRO 28 6.923 1.509 12.298 224 HG3 PRO 28 HG3 PRO 28 8.041 1.056 11.000 225 HD2 PRO 28 HD2 PRO 28 8.466 3.121 12.783 226 HD3 PRO 28 HD3 PRO 28 9.220 3.002 11.182 227 H VAL 29 H VAL 29 3.678 3.703 10.278 228 HA VAL 29 HA VAL 29 2.926 3.887 13.131 229 HB VAL 29 HB VAL 29 1.423 5.158 10.828 230 HG11 VAL 29 HG11 VAL 29 0.993 5.359 13.806 231 HG12 VAL 29 HG12 VAL 29 -0.022 4.469 12.672 232 HG13 VAL 29 HG13 VAL 29 0.084 6.226 12.569 233 HG21 VAL 29 HG21 VAL 29 3.521 6.325 11.233 234 HG22 VAL 29 HG22 VAL 29 3.126 6.459 12.947 235 HG23 VAL 29 HG23 VAL 29 2.147 7.303 11.747 236 H TYR 30 H TYR 30 1.314 2.505 13.807 237 HA TYR 30 HA TYR 30 0.503 0.495 11.817 238 HB2 TYR 30 HB2 TYR 30 0.631 0.233 14.824 239 HB3 TYR 30 HB3 TYR 30 0.239 -1.051 13.688 240 HD1 TYR 30 HD1 TYR 30 2.167 -1.234 11.736 241 HD2 TYR 30 HD2 TYR 30 2.720 0.127 15.728 242 HE1 TYR 30 HE1 TYR 30 4.543 -1.856 11.610 243 HE2 TYR 30 HE2 TYR 30 5.095 -0.484 15.616 244 HH TYR 30 HH TYR 30 6.713 -1.141 12.800 245 HA PRO 31 HA PRO 31 -3.837 1.568 12.503 246 HB2 PRO 31 HB2 PRO 31 -4.230 -1.034 11.169 247 HB3 PRO 31 HB3 PRO 31 -4.841 0.559 10.721 248 HG2 PRO 31 HG2 PRO 31 -2.913 -0.633 9.309 249 HG3 PRO 31 HG3 PRO 31 -2.914 1.122 9.573 250 HD2 PRO 31 HD2 PRO 31 -1.320 -1.003 10.962 251 HD3 PRO 31 HD3 PRO 31 -0.803 0.597 10.386 252 H GLY 32 H GLY 32 -5.029 1.055 14.233 253 HA2 GLY 32 HA2 GLY 32 -5.784 -1.465 15.032 254 HA3 GLY 32 HA3 GLY 32 -4.311 -1.114 15.926 255 HA PRO 33 HA PRO 33 -8.134 1.147 17.743 256 HB2 PRO 33 HB2 PRO 33 -9.397 -0.771 19.153 257 HB3 PRO 33 HB3 PRO 33 -9.788 -0.392 17.477 258 HG2 PRO 33 HG2 PRO 33 -8.107 -2.620 18.559 259 HG3 PRO 33 HG3 PRO 33 -9.331 -2.674 17.280 260 HD2 PRO 33 HD2 PRO 33 -6.667 -2.557 16.784 261 HD3 PRO 33 HD3 PRO 33 -7.888 -1.873 15.692 262 H ALA 34 H ALA 34 -5.646 1.232 18.488 263 HA ALA 34 HA ALA 34 -4.111 1.396 20.160 264 HB1 ALA 34 HB1 ALA 34 -5.865 2.763 21.189 265 HB2 ALA 34 HB2 ALA 34 -4.928 1.889 22.399 266 HB3 ALA 34 HB3 ALA 34 -6.537 1.322 21.953 267 H THR 35 H THR 35 -4.431 -1.137 19.153 268 HA THR 35 HA THR 35 -4.840 -3.116 21.142 269 HB THR 35 HB THR 35 -3.416 -4.466 19.341 270 HG1 THR 35 HG1 THR 35 -3.135 -3.413 17.508 271 HG21 THR 35 HG21 THR 35 -5.786 -4.828 19.863 272 HG22 THR 35 HG22 THR 35 -5.496 -4.890 18.125 273 HG23 THR 35 HG23 THR 35 -6.217 -3.452 18.846 274 HA PRO 36 HA PRO 36 -1.138 -2.655 23.518 275 HB2 PRO 36 HB2 PRO 36 -1.582 -5.570 23.949 276 HB3 PRO 36 HB3 PRO 36 -1.308 -4.284 25.131 277 HG2 PRO 36 HG2 PRO 36 -3.744 -5.276 24.767 278 HG3 PRO 36 HG3 PRO 36 -3.503 -3.536 25.020 279 HD2 PRO 36 HD2 PRO 36 -4.098 -5.023 22.501 280 HD3 PRO 36 HD3 PRO 36 -4.657 -3.421 23.027 281 H GLU 37 H GLU 37 -1.485 -5.476 21.370 282 HA GLU 37 HA GLU 37 1.281 -6.136 21.388 283 HB2 GLU 37 HB2 GLU 37 -0.751 -6.823 19.255 284 HB3 GLU 37 HB3 GLU 37 0.761 -7.656 19.579 285 HG2 GLU 37 HG2 GLU 37 -0.610 -9.058 20.652 286 HG3 GLU 37 HG3 GLU 37 -0.360 -7.924 21.972 287 H GLN 38 H GLN 38 -0.418 -3.674 19.776 288 HA GLN 38 HA GLN 38 1.804 -3.326 17.896 289 HB2 GLN 38 HB2 GLN 38 -0.893 -1.988 18.047 290 HB3 GLN 38 HB3 GLN 38 0.382 -1.460 16.957 291 HG2 GLN 38 HG2 GLN 38 -1.019 -4.121 16.972 292 HG3 GLN 38 HG3 GLN 38 -1.120 -2.860 15.742 293 HE21 GLN 38 HE21 GLN 38 -0.337 -5.649 15.476 294 HE22 GLN 38 HE22 GLN 38 1.263 -5.641 14.822 295 H LEU 39 H LEU 39 0.351 -1.960 20.739 296 HA LEU 39 HA LEU 39 1.914 0.461 20.650 297 HB2 LEU 39 HB2 LEU 39 0.137 -0.753 22.756 298 HB3 LEU 39 HB3 LEU 39 1.031 0.732 23.014 299 HG LEU 39 HG LEU 39 -1.055 0.318 20.869 300 HD11 LEU 39 HD11 LEU 39 -1.182 1.814 23.482 301 HD12 LEU 39 HD12 LEU 39 -2.044 0.326 23.087 302 HD13 LEU 39 HD13 LEU 39 -2.426 1.821 22.232 303 HD21 LEU 39 HD21 LEU 39 0.667 1.937 20.242 304 HD22 LEU 39 HD22 LEU 39 0.414 2.800 21.759 305 HD23 LEU 39 HD23 LEU 39 -0.874 2.734 20.556 306 H ASN 40 H ASN 40 2.402 -2.741 21.713 307 HA ASN 40 HA ASN 40 4.338 -2.093 23.750 308 HB2 ASN 40 HB2 ASN 40 4.487 -4.418 24.151 309 HB3 ASN 40 HB3 ASN 40 2.813 -4.159 23.704 310 HD21 ASN 40 HD21 ASN 40 4.469 -6.559 23.612 311 HD22 ASN 40 HD22 ASN 40 4.419 -7.101 21.964 312 H ARG 41 H ARG 41 4.335 -2.399 20.385 313 HA ARG 41 HA ARG 41 7.262 -2.683 20.333 314 HB2 ARG 41 HB2 ARG 41 6.929 -3.322 17.913 315 HB3 ARG 41 HB3 ARG 41 6.313 -4.477 19.088 316 HG2 ARG 41 HG2 ARG 41 4.059 -3.679 18.738 317 HG3 ARG 41 HG3 ARG 41 4.648 -2.439 17.630 318 HD2 ARG 41 HD2 ARG 41 5.107 -5.374 17.177 319 HD3 ARG 41 HD3 ARG 41 3.672 -4.538 16.588 320 HE ARG 41 HE ARG 41 5.530 -3.009 15.530 321 HH11 ARG 41 HH11 ARG 41 5.552 -6.500 15.799 322 HH12 ARG 41 HH12 ARG 41 6.366 -6.732 14.282 323 HH21 ARG 41 HH21 ARG 41 6.606 -3.314 13.540 324 HH22 ARG 41 HH22 ARG 41 6.970 -4.933 13.003 325 H GLY 42 H GLY 42 4.563 -0.676 19.521 326 HA2 GLY 42 HA2 GLY 42 6.291 1.535 18.965 327 HA3 GLY 42 HA3 GLY 42 5.495 0.933 17.520 328 H VAL 43 H VAL 43 4.079 2.487 17.066 329 HA VAL 43 HA VAL 43 2.209 3.315 19.187 330 HB VAL 43 HB VAL 43 3.204 4.970 16.858 331 HG11 VAL 43 HG11 VAL 43 0.937 5.553 17.484 332 HG12 VAL 43 HG12 VAL 43 2.055 6.823 17.983 333 HG13 VAL 43 HG13 VAL 43 1.420 5.690 19.175 334 HG21 VAL 43 HG21 VAL 43 3.851 5.179 19.796 335 HG22 VAL 43 HG22 VAL 43 4.382 6.298 18.540 336 HG23 VAL 43 HG23 VAL 43 4.948 4.628 18.529 337 H SER 44 H SER 44 0.063 3.346 18.695 338 HA SER 44 HA SER 44 -0.714 2.339 16.039 339 HB2 SER 44 HB2 SER 44 -0.979 0.640 17.838 340 HB3 SER 44 HB3 SER 44 -2.022 1.755 18.714 341 HG SER 44 HG SER 44 -3.549 1.577 17.119 342 H PHE 45 H PHE 45 -3.042 2.872 15.521 343 HA PHE 45 HA PHE 45 -3.628 5.620 15.999 344 HB2 PHE 45 HB2 PHE 45 -5.170 3.382 14.700 345 HB3 PHE 45 HB3 PHE 45 -5.856 4.991 14.900 346 HD1 PHE 45 HD1 PHE 45 -4.355 6.947 13.999 347 HD2 PHE 45 HD2 PHE 45 -4.048 2.893 12.751 348 HE1 PHE 45 HE1 PHE 45 -3.287 7.675 11.906 349 HE2 PHE 45 HE2 PHE 45 -2.986 3.615 10.652 350 HZ PHE 45 HZ PHE 45 -2.603 6.013 10.230 351 H ALA 46 H ALA 46 -5.992 6.165 16.715 352 HA ALA 46 HA ALA 46 -6.174 5.163 19.440 353 HB1 ALA 46 HB1 ALA 46 -7.658 7.424 18.112 354 HB2 ALA 46 HB2 ALA 46 -6.188 7.575 19.076 355 HB3 ALA 46 HB3 ALA 46 -7.686 7.031 19.830 356 H GLU 47 H GLU 47 -8.539 5.792 16.822 357 HA GLU 47 HA GLU 47 -10.069 3.495 17.817 358 HB2 GLU 47 HB2 GLU 47 -11.134 6.227 17.113 359 HB3 GLU 47 HB3 GLU 47 -12.157 4.797 17.178 360 HG2 GLU 47 HG2 GLU 47 -11.613 4.474 19.507 361 HG3 GLU 47 HG3 GLU 47 -10.507 5.843 19.459 362 H GLU 48 H GLU 48 -10.240 2.070 16.345 363 HA GLU 48 HA GLU 48 -9.304 2.440 13.710 364 HB2 GLU 48 HB2 GLU 48 -9.018 0.371 15.063 365 HB3 GLU 48 HB3 GLU 48 -10.738 0.064 14.902 366 HG2 GLU 48 HG2 GLU 48 -10.431 -0.049 12.442 367 HG3 GLU 48 HG3 GLU 48 -8.692 0.107 12.701 368 H ASN 49 H ASN 49 -10.992 4.185 13.480 369 HA ASN 49 HA ASN 49 -12.922 3.114 11.567 370 HB2 ASN 49 HB2 ASN 49 -14.063 3.645 13.809 371 HB3 ASN 49 HB3 ASN 49 -13.691 5.331 13.475 372 HD21 ASN 49 HD21 ASN 49 -14.803 6.406 11.857 373 HD22 ASN 49 HD22 ASN 49 -16.243 5.770 11.136 374 H GLU 50 H GLU 50 -10.298 4.873 12.164 375 HA GLU 50 HA GLU 50 -10.961 7.371 10.926 376 HB2 GLU 50 HB2 GLU 50 -8.619 7.894 11.189 377 HB3 GLU 50 HB3 GLU 50 -9.228 7.196 12.671 378 HG2 GLU 50 HG2 GLU 50 -7.717 5.620 10.608 379 HG3 GLU 50 HG3 GLU 50 -6.935 6.458 11.946 380 H SER 51 H SER 51 -9.871 8.178 9.016 381 HA SER 51 HA SER 51 -8.905 6.165 7.132 382 HB2 SER 51 HB2 SER 51 -11.103 8.149 6.469 383 HB3 SER 51 HB3 SER 51 -10.355 7.018 5.340 384 HG SER 51 HG SER 51 -11.387 5.906 7.663 385 H LEU 52 H LEU 52 -7.756 7.182 5.284 386 HA LEU 52 HA LEU 52 -6.285 9.502 6.227 387 HB2 LEU 52 HB2 LEU 52 -5.910 7.747 3.796 388 HB3 LEU 52 HB3 LEU 52 -4.854 9.081 4.229 389 HG LEU 52 HG LEU 52 -5.320 6.618 5.909 390 HD11 LEU 52 HD11 LEU 52 -2.973 7.413 4.205 391 HD12 LEU 52 HD12 LEU 52 -4.075 6.065 3.923 392 HD13 LEU 52 HD13 LEU 52 -3.007 6.053 5.327 393 HD21 LEU 52 HD21 LEU 52 -3.480 7.444 7.268 394 HD22 LEU 52 HD22 LEU 52 -4.815 8.597 7.244 395 HD23 LEU 52 HD23 LEU 52 -3.376 8.892 6.267 396 H ASP 53 H ASP 53 -8.818 8.749 4.080 397 HA ASP 53 HA ASP 53 -8.723 11.296 2.702 398 HB2 ASP 53 HB2 ASP 53 -9.616 9.229 1.614 399 HB3 ASP 53 HB3 ASP 53 -10.930 9.219 2.785 400 H ASP 54 H ASP 54 -9.389 10.379 5.732 401 HA ASP 54 HA ASP 54 -11.792 11.963 6.175 402 HB2 ASP 54 HB2 ASP 54 -11.234 9.677 7.263 403 HB3 ASP 54 HB3 ASP 54 -10.142 10.591 8.293 404 H GLN 55 H GLN 55 -11.783 13.607 7.884 405 HA GLN 55 HA GLN 55 -9.496 15.375 7.510 406 HB2 GLN 55 HB2 GLN 55 -11.794 16.220 7.235 407 HB3 GLN 55 HB3 GLN 55 -12.165 15.793 8.896 408 HG2 GLN 55 HG2 GLN 55 -9.852 17.516 8.727 409 HG3 GLN 55 HG3 GLN 55 -11.265 18.234 7.956 410 HE21 GLN 55 HE21 GLN 55 -9.847 17.168 10.918 411 HE22 GLN 55 HE22 GLN 55 -11.037 17.847 11.980 412 H ASN 56 H ASN 56 -10.868 13.313 9.943 413 HA ASN 56 HA ASN 56 -8.947 14.402 11.881 414 HB2 ASN 56 HB2 ASN 56 -10.470 13.252 13.623 415 HB3 ASN 56 HB3 ASN 56 -10.991 14.772 12.918 416 HD21 ASN 56 HD21 ASN 56 -11.165 11.609 11.354 417 HD22 ASN 56 HD22 ASN 56 -12.895 11.553 11.292 418 H ILE 57 H ILE 57 -7.220 13.224 12.110 419 HA ILE 57 HA ILE 57 -7.517 10.292 12.187 420 HB ILE 57 HB ILE 57 -5.102 11.826 11.202 421 HG12 ILE 57 HG12 ILE 57 -7.132 10.187 9.663 422 HG13 ILE 57 HG13 ILE 57 -7.003 11.943 9.634 423 HG21 ILE 57 HG21 ILE 57 -4.234 9.635 10.554 424 HG22 ILE 57 HG22 ILE 57 -5.662 8.862 11.236 425 HG23 ILE 57 HG23 ILE 57 -4.532 9.712 12.289 426 HD11 ILE 57 HD11 ILE 57 -4.801 11.773 8.625 427 HD12 ILE 57 HD12 ILE 57 -6.013 10.923 7.665 428 HD13 ILE 57 HD13 ILE 57 -4.901 10.014 8.689 429 H SER 58 H SER 58 -6.786 9.356 14.029 430 HA SER 58 HA SER 58 -5.347 11.115 15.903 431 HB2 SER 58 HB2 SER 58 -7.511 9.118 16.600 432 HB3 SER 58 HB3 SER 58 -6.667 10.178 17.728 433 HG SER 58 HG SER 58 -7.542 11.845 16.040 434 H ILE 59 H ILE 59 -3.443 10.359 16.471 435 HA ILE 59 HA ILE 59 -2.990 7.443 16.421 436 HB ILE 59 HB ILE 59 -0.891 9.620 16.243 437 HG12 ILE 59 HG12 ILE 59 -2.063 7.913 14.031 438 HG13 ILE 59 HG13 ILE 59 -2.345 9.637 14.247 439 HG21 ILE 59 HG21 ILE 59 0.588 7.796 15.561 440 HG22 ILE 59 HG22 ILE 59 -0.734 6.646 15.763 441 HG23 ILE 59 HG23 ILE 59 -0.092 7.507 17.163 442 HD11 ILE 59 HD11 ILE 59 0.023 10.075 13.844 443 HD12 ILE 59 HD12 ILE 59 -0.713 9.212 12.495 444 HD13 ILE 59 HD13 ILE 59 0.308 8.348 13.641 445 H ALA 60 H ALA 60 -2.541 6.471 18.322 446 HA ALA 60 HA ALA 60 -2.443 8.172 20.704 447 HB1 ALA 60 HB1 ALA 60 -2.981 6.111 21.941 448 HB2 ALA 60 HB2 ALA 60 -2.941 5.207 20.427 449 HB3 ALA 60 HB3 ALA 60 -4.163 6.455 20.679 450 H GLY 61 H GLY 61 -0.441 8.739 21.270 451 HA2 GLY 61 HA2 GLY 61 1.745 6.854 20.723 452 HA3 GLY 61 HA3 GLY 61 1.918 8.588 20.918 453 H HIS 62 H HIS 62 3.597 6.940 22.179 454 HA HIS 62 HA HIS 62 3.169 7.606 24.950 455 HB2 HIS 62 HB2 HIS 62 3.486 5.354 25.831 456 HB3 HIS 62 HB3 HIS 62 2.079 5.357 24.774 457 HD1 HIS 62 HD1 HIS 62 5.491 3.916 25.151 458 HD2 HIS 62 HD2 HIS 62 2.420 3.942 22.342 459 HE1 HIS 62 HE1 HIS 62 6.051 2.091 23.513 460 H THR 63 H THR 63 5.274 6.625 26.160 461 HA THR 63 HA THR 63 7.530 7.022 24.310 462 HB THR 63 HB THR 63 8.771 7.714 26.452 463 HG1 THR 63 HG1 THR 63 6.981 8.761 27.861 464 HG21 THR 63 HG21 THR 63 8.187 9.300 24.696 465 HG22 THR 63 HG22 THR 63 7.948 10.030 26.283 466 HG23 THR 63 HG23 THR 63 6.561 9.458 25.359 467 H PHE 64 H PHE 64 9.565 5.975 25.007 468 HA PHE 64 HA PHE 64 9.164 3.566 26.645 469 HB2 PHE 64 HB2 PHE 64 10.591 3.878 24.030 470 HB3 PHE 64 HB3 PHE 64 11.239 2.749 25.209 471 HD1 PHE 64 HD1 PHE 64 8.879 1.537 26.368 472 HD2 PHE 64 HD2 PHE 64 9.648 2.648 22.334 473 HE1 PHE 64 HE1 PHE 64 7.317 -0.201 25.595 474 HE2 PHE 64 HE2 PHE 64 8.081 0.921 21.554 475 HZ PHE 64 HZ PHE 64 6.915 -0.508 23.184 476 H ILE 65 H ILE 65 10.836 3.066 28.068 477 HA ILE 65 HA ILE 65 12.257 5.358 29.019 478 HB ILE 65 HB ILE 65 12.433 2.485 29.945 479 HG12 ILE 65 HG12 ILE 65 10.774 4.775 31.023 480 HG13 ILE 65 HG13 ILE 65 10.146 3.440 30.064 481 HG21 ILE 65 HG21 ILE 65 14.344 3.793 30.672 482 HG22 ILE 65 HG22 ILE 65 13.286 3.443 32.040 483 HG23 ILE 65 HG23 ILE 65 13.273 5.045 31.300 484 HD11 ILE 65 HD11 ILE 65 10.798 1.880 31.828 485 HD12 ILE 65 HD12 ILE 65 9.690 3.117 32.421 486 HD13 ILE 65 HD13 ILE 65 11.412 3.227 32.787 487 H ASP 66 H ASP 66 13.074 2.528 27.139 488 HA ASP 66 HA ASP 66 15.932 3.081 27.412 489 HB2 ASP 66 HB2 ASP 66 16.301 0.918 26.429 490 HB3 ASP 66 HB3 ASP 66 15.076 0.754 27.680 491 H ARG 67 H ARG 67 13.474 4.026 25.401 492 HA ARG 67 HA ARG 67 15.235 4.097 23.042 493 HB2 ARG 67 HB2 ARG 67 12.264 3.831 23.295 494 HB3 ARG 67 HB3 ARG 67 12.956 4.535 21.845 495 HG2 ARG 67 HG2 ARG 67 13.750 1.838 22.902 496 HG3 ARG 67 HG3 ARG 67 12.446 2.083 21.737 497 HD2 ARG 67 HD2 ARG 67 14.198 3.358 20.354 498 HD3 ARG 67 HD3 ARG 67 15.384 2.586 21.406 499 HE ARG 67 HE ARG 67 14.339 0.423 20.640 500 HH11 ARG 67 HH11 ARG 67 14.420 3.305 18.646 501 HH12 ARG 67 HH12 ARG 67 14.201 2.440 17.155 502 HH21 ARG 67 HH21 ARG 67 14.080 -0.726 18.683 503 HH22 ARG 67 HH22 ARG 67 14.073 0.145 17.173 504 HA PRO 68 HA PRO 68 14.887 8.565 23.934 505 HB2 PRO 68 HB2 PRO 68 17.306 9.180 22.888 506 HB3 PRO 68 HB3 PRO 68 17.112 8.607 24.553 507 HG2 PRO 68 HG2 PRO 68 17.959 7.104 22.108 508 HG3 PRO 68 HG3 PRO 68 18.608 7.014 23.756 509 HD2 PRO 68 HD2 PRO 68 16.873 5.181 22.737 510 HD3 PRO 68 HD3 PRO 68 16.954 5.585 24.463 511 H ASN 69 H ASN 69 15.059 6.565 21.235 512 HA ASN 69 HA ASN 69 14.256 8.681 19.447 513 HB2 ASN 69 HB2 ASN 69 16.827 8.564 19.513 514 HB3 ASN 69 HB3 ASN 69 16.645 7.039 18.651 515 HD21 ASN 69 HD21 ASN 69 17.791 9.661 17.915 516 HD22 ASN 69 HD22 ASN 69 17.004 10.102 16.428 517 H TYR 70 H TYR 70 12.361 7.343 19.561 518 HA TYR 70 HA TYR 70 12.450 5.510 17.301 519 HB2 TYR 70 HB2 TYR 70 11.305 3.746 18.319 520 HB3 TYR 70 HB3 TYR 70 12.423 4.247 19.581 521 HD1 TYR 70 HD1 TYR 70 9.098 3.432 18.839 522 HD2 TYR 70 HD2 TYR 70 11.431 6.002 21.294 523 HE1 TYR 70 HE1 TYR 70 7.198 3.679 20.372 524 HE2 TYR 70 HE2 TYR 70 9.539 6.258 22.832 525 HH TYR 70 HH TYR 70 6.972 6.068 22.634 526 H GLN 71 H GLN 71 9.785 4.873 17.193 527 HA GLN 71 HA GLN 71 8.636 6.676 15.650 528 HB2 GLN 71 HB2 GLN 71 7.180 5.009 17.701 529 HB3 GLN 71 HB3 GLN 71 6.417 5.779 16.314 530 HG2 GLN 71 HG2 GLN 71 7.762 4.475 14.795 531 HG3 GLN 71 HG3 GLN 71 8.646 3.764 16.141 532 HE21 GLN 71 HE21 GLN 71 8.098 1.704 15.463 533 HE22 GLN 71 HE22 GLN 71 6.510 1.060 15.696 534 H PHE 72 H PHE 72 7.448 6.688 19.047 535 HA PHE 72 HA PHE 72 7.341 9.609 18.804 536 HB2 PHE 72 HB2 PHE 72 5.252 7.749 19.889 537 HB3 PHE 72 HB3 PHE 72 5.370 9.394 20.497 538 HD1 PHE 72 HD1 PHE 72 6.322 10.349 17.582 539 HD2 PHE 72 HD2 PHE 72 2.979 8.235 19.145 540 HE1 PHE 72 HE1 PHE 72 4.950 11.149 15.710 541 HE2 PHE 72 HE2 PHE 72 1.599 9.028 17.272 542 HZ PHE 72 HZ PHE 72 2.584 10.486 15.548 543 H THR 73 H THR 73 8.856 10.394 20.055 544 HA THR 73 HA THR 73 8.683 10.015 22.876 545 HB THR 73 HB THR 73 10.023 8.024 22.252 546 HG1 THR 73 HG1 THR 73 11.691 8.448 23.798 547 HG21 THR 73 HG21 THR 73 12.369 8.325 21.546 548 HG22 THR 73 HG22 THR 73 12.051 10.043 21.309 549 HG23 THR 73 HG23 THR 73 11.214 8.848 20.318 550 H ASN 74 H ASN 74 10.569 11.212 20.162 551 HA ASN 74 HA ASN 74 11.503 13.485 21.743 552 HB2 ASN 74 HB2 ASN 74 13.045 12.138 20.245 553 HB3 ASN 74 HB3 ASN 74 12.187 12.832 18.872 554 HD21 ASN 74 HD21 ASN 74 14.006 13.887 18.109 555 HD22 ASN 74 HD22 ASN 74 14.674 15.272 18.902 556 H LEU 75 H LEU 75 8.693 13.061 20.725 557 HA LEU 75 HA LEU 75 8.180 14.870 18.612 558 HB2 LEU 75 HB2 LEU 75 6.640 13.064 19.323 559 HB3 LEU 75 HB3 LEU 75 6.311 13.955 20.796 560 HG LEU 75 HG LEU 75 5.340 15.787 19.464 561 HD11 LEU 75 HD11 LEU 75 5.822 13.937 17.135 562 HD12 LEU 75 HD12 LEU 75 6.618 15.484 17.421 563 HD13 LEU 75 HD13 LEU 75 4.888 15.432 17.084 564 HD21 LEU 75 HD21 LEU 75 4.168 13.075 18.869 565 HD22 LEU 75 HD22 LEU 75 3.309 14.615 18.795 566 HD23 LEU 75 HD23 LEU 75 3.909 14.012 20.341 567 H LYS 76 H LYS 76 8.881 15.343 21.920 568 HA LYS 76 HA LYS 76 7.529 17.824 22.259 569 HB2 LYS 76 HB2 LYS 76 8.995 18.024 24.295 570 HB3 LYS 76 HB3 LYS 76 8.004 16.577 24.219 571 HG2 LYS 76 HG2 LYS 76 10.002 15.717 24.931 572 HG3 LYS 76 HG3 LYS 76 10.149 15.502 23.191 573 HD2 LYS 76 HD2 LYS 76 11.484 17.537 23.038 574 HD3 LYS 76 HD3 LYS 76 11.301 17.799 24.774 575 HE2 LYS 76 HE2 LYS 76 12.442 15.648 25.183 576 HE3 LYS 76 HE3 LYS 76 12.688 15.472 23.446 577 HZ1 LYS 76 HZ1 LYS 76 13.972 17.551 23.490 578 HZ2 LYS 76 HZ2 LYS 76 14.661 16.354 24.477 579 HZ3 LYS 76 HZ3 LYS 76 13.790 17.626 25.175 580 H ALA 77 H ALA 77 10.242 17.013 20.483 581 HA ALA 77 HA ALA 77 11.560 19.583 20.765 582 HB1 ALA 77 HB1 ALA 77 12.886 17.538 20.419 583 HB2 ALA 77 HB2 ALA 77 13.149 18.723 19.141 584 HB3 ALA 77 HB3 ALA 77 12.118 17.325 18.845 585 H ALA 78 H ALA 78 8.946 18.355 19.094 586 HA ALA 78 HA ALA 78 9.248 19.684 16.584 587 HB1 ALA 78 HB1 ALA 78 7.877 17.710 16.749 588 HB2 ALA 78 HB2 ALA 78 6.857 19.072 16.282 589 HB3 ALA 78 HB3 ALA 78 6.835 18.480 17.946 590 H LYS 79 H LYS 79 7.894 21.390 15.808 591 HA LYS 79 HA LYS 79 7.042 23.282 17.895 592 HB2 LYS 79 HB2 LYS 79 8.571 24.001 15.384 593 HB3 LYS 79 HB3 LYS 79 8.094 25.095 16.678 594 HG2 LYS 79 HG2 LYS 79 9.661 24.250 18.149 595 HG3 LYS 79 HG3 LYS 79 9.848 22.747 17.243 596 HD2 LYS 79 HD2 LYS 79 10.781 24.199 15.367 597 HD3 LYS 79 HD3 LYS 79 10.895 25.482 16.576 598 HE2 LYS 79 HE2 LYS 79 13.008 24.275 16.352 599 HE3 LYS 79 HE3 LYS 79 12.313 24.064 17.957 600 HZ1 LYS 79 HZ1 LYS 79 11.527 21.894 17.330 601 HZ2 LYS 79 HZ2 LYS 79 13.188 21.990 17.027 602 HZ3 LYS 79 HZ3 LYS 79 12.085 22.093 15.742 603 H LYS 80 H LYS 80 5.984 25.262 16.585 604 HA LYS 80 HA LYS 80 3.529 24.247 15.687 605 HB2 LYS 80 HB2 LYS 80 2.979 26.595 15.145 606 HB3 LYS 80 HB3 LYS 80 3.668 26.403 16.749 607 HG2 LYS 80 HG2 LYS 80 5.863 27.124 15.829 608 HG3 LYS 80 HG3 LYS 80 5.057 27.457 14.294 609 HD2 LYS 80 HD2 LYS 80 4.429 28.734 16.955 610 HD3 LYS 80 HD3 LYS 80 5.289 29.490 15.613 611 HE2 LYS 80 HE2 LYS 80 3.318 29.353 14.225 612 HE3 LYS 80 HE3 LYS 80 2.454 28.471 15.480 613 HZ1 LYS 80 HZ1 LYS 80 2.606 30.415 16.905 614 HZ2 LYS 80 HZ2 LYS 80 1.834 30.800 15.441 615 HZ3 LYS 80 HZ3 LYS 80 3.442 31.264 15.696 616 H GLY 81 H GLY 81 6.379 25.204 13.899 617 HA2 GLY 81 HA2 GLY 81 4.942 24.406 11.437 618 HA3 GLY 81 HA3 GLY 81 6.259 25.581 11.453 619 H SER 82 H SER 82 5.942 22.514 13.125 620 HA SER 82 HA SER 82 8.572 21.699 12.830 621 HB2 SER 82 HB2 SER 82 6.783 20.856 14.435 622 HB3 SER 82 HB3 SER 82 6.217 19.833 13.116 623 HG SER 82 HG SER 82 8.791 19.808 14.324 624 H MET 83 H MET 83 6.040 21.584 10.564 625 HA MET 83 HA MET 83 5.674 20.623 8.564 626 HB2 MET 83 HB2 MET 83 8.653 20.936 8.573 627 HB3 MET 83 HB3 MET 83 7.841 20.176 7.208 628 HG2 MET 83 HG2 MET 83 6.722 22.743 8.128 629 HG3 MET 83 HG3 MET 83 8.314 22.806 7.384 630 HE1 MET 83 HE1 MET 83 5.473 20.191 6.495 631 HE2 MET 83 HE2 MET 83 4.606 21.051 5.222 632 HE3 MET 83 HE3 MET 83 4.559 21.649 6.881 633 H VAL 84 H VAL 84 4.696 18.821 9.293 634 HA VAL 84 HA VAL 84 6.245 16.409 9.770 635 HB VAL 84 HB VAL 84 3.266 16.913 9.854 636 HG11 VAL 84 HG11 VAL 84 4.842 14.493 10.706 637 HG12 VAL 84 HG12 VAL 84 3.686 14.589 9.379 638 HG13 VAL 84 HG13 VAL 84 3.132 14.762 11.044 639 HG21 VAL 84 HG21 VAL 84 3.520 16.827 12.279 640 HG22 VAL 84 HG22 VAL 84 4.470 18.135 11.574 641 HG23 VAL 84 HG23 VAL 84 5.265 16.648 12.092 642 H TYR 85 H TYR 85 6.404 14.746 8.340 643 HA TYR 85 HA TYR 85 4.876 14.985 5.833 644 HB2 TYR 85 HB2 TYR 85 7.583 13.696 6.272 645 HB3 TYR 85 HB3 TYR 85 6.723 13.777 4.738 646 HD1 TYR 85 HD1 TYR 85 8.887 15.518 7.051 647 HD2 TYR 85 HD2 TYR 85 6.380 16.003 3.649 648 HE1 TYR 85 HE1 TYR 85 9.949 17.684 6.585 649 HE2 TYR 85 HE2 TYR 85 7.439 18.171 3.172 650 HH TYR 85 HH TYR 85 10.307 19.201 4.778 651 H PHE 86 H PHE 86 3.201 13.640 5.984 652 HA PHE 86 HA PHE 86 3.577 11.052 7.287 653 HB2 PHE 86 HB2 PHE 86 1.563 12.614 7.708 654 HB3 PHE 86 HB3 PHE 86 0.987 12.068 6.137 655 HD1 PHE 86 HD1 PHE 86 -0.836 10.706 6.533 656 HD2 PHE 86 HD2 PHE 86 2.676 10.212 8.886 657 HE1 PHE 86 HE1 PHE 86 -1.827 8.719 7.595 658 HE2 PHE 86 HE2 PHE 86 1.695 8.222 9.944 659 HZ PHE 86 HZ PHE 86 -0.560 7.473 9.299 660 H LYS 87 H LYS 87 4.451 9.601 6.024 661 HA LYS 87 HA LYS 87 4.139 9.690 3.156 662 HB2 LYS 87 HB2 LYS 87 6.297 9.194 4.399 663 HB3 LYS 87 HB3 LYS 87 5.603 7.630 4.802 664 HG2 LYS 87 HG2 LYS 87 7.095 7.491 2.886 665 HG3 LYS 87 HG3 LYS 87 5.437 7.073 2.447 666 HD2 LYS 87 HD2 LYS 87 6.467 8.515 0.762 667 HD3 LYS 87 HD3 LYS 87 5.098 9.306 1.548 668 HE2 LYS 87 HE2 LYS 87 7.014 10.828 1.246 669 HE3 LYS 87 HE3 LYS 87 6.595 10.600 2.942 670 HZ1 LYS 87 HZ1 LYS 87 8.759 9.092 1.582 671 HZ2 LYS 87 HZ2 LYS 87 8.438 9.173 3.250 672 HZ3 LYS 87 HZ3 LYS 87 9.016 10.536 2.432 673 H VAL 88 H VAL 88 2.280 8.907 2.366 674 HA VAL 88 HA VAL 88 1.386 6.286 3.367 675 HB VAL 88 HB VAL 88 -0.964 7.029 2.789 676 HG11 VAL 88 HG11 VAL 88 -0.186 6.818 5.075 677 HG12 VAL 88 HG12 VAL 88 -1.253 8.214 4.918 678 HG13 VAL 88 HG13 VAL 88 0.493 8.446 5.013 679 HG21 VAL 88 HG21 VAL 88 0.344 9.752 2.815 680 HG22 VAL 88 HG22 VAL 88 -1.394 9.453 2.830 681 HG23 VAL 88 HG23 VAL 88 -0.430 8.979 1.433 682 H GLY 89 H GLY 89 1.687 4.821 1.861 683 HA2 GLY 89 HA2 GLY 89 1.676 3.756 -0.172 684 HA3 GLY 89 HA3 GLY 89 0.525 4.973 -0.710 685 H ASN 90 H ASN 90 1.226 6.728 -1.859 686 HA ASN 90 HA ASN 90 4.103 6.904 -2.433 687 HB2 ASN 90 HB2 ASN 90 3.583 7.430 -4.787 688 HB3 ASN 90 HB3 ASN 90 3.047 5.809 -4.348 689 HD21 ASN 90 HD21 ASN 90 0.891 5.343 -4.315 690 HD22 ASN 90 HD22 ASN 90 -0.319 6.407 -4.945 691 H GLU 91 H GLU 91 1.761 8.369 -0.912 692 HA GLU 91 HA GLU 91 2.190 11.027 -2.082 693 HB2 GLU 91 HB2 GLU 91 0.082 10.090 -0.133 694 HB3 GLU 91 HB3 GLU 91 0.249 11.737 -0.723 695 HG2 GLU 91 HG2 GLU 91 0.006 10.669 -3.064 696 HG3 GLU 91 HG3 GLU 91 -0.654 9.293 -2.178 697 H THR 92 H THR 92 3.147 12.615 -0.993 698 HA THR 92 HA THR 92 4.003 12.063 1.769 699 HB THR 92 HB THR 92 5.105 14.126 -0.158 700 HG1 THR 92 HG1 THR 92 6.088 12.420 -0.949 701 HG21 THR 92 HG21 THR 92 5.391 14.734 2.203 702 HG22 THR 92 HG22 THR 92 6.937 14.318 1.463 703 HG23 THR 92 HG23 THR 92 6.126 13.162 2.521 704 H ARG 93 H ARG 93 2.205 12.705 2.883 705 HA ARG 93 HA ARG 93 0.893 15.218 2.287 706 HB2 ARG 93 HB2 ARG 93 0.455 13.267 4.557 707 HB3 ARG 93 HB3 ARG 93 -0.593 14.614 4.148 708 HG2 ARG 93 HG2 ARG 93 -0.028 12.339 2.264 709 HG3 ARG 93 HG3 ARG 93 -1.377 12.353 3.401 710 HD2 ARG 93 HD2 ARG 93 -2.205 14.422 2.365 711 HD3 ARG 93 HD3 ARG 93 -0.875 14.361 1.208 712 HE ARG 93 HE ARG 93 -1.860 12.204 0.448 713 HH11 ARG 93 HH11 ARG 93 -3.875 14.545 2.122 714 HH12 ARG 93 HH12 ARG 93 -5.336 14.001 1.341 715 HH21 ARG 93 HH21 ARG 93 -3.781 11.483 -0.549 716 HH22 ARG 93 HH22 ARG 93 -5.287 12.271 -0.159 717 H LYS 94 H LYS 94 1.631 17.111 3.061 718 HA LYS 94 HA LYS 94 3.467 17.074 5.328 719 HB2 LYS 94 HB2 LYS 94 2.675 19.594 3.905 720 HB3 LYS 94 HB3 LYS 94 4.171 19.216 4.733 721 HG2 LYS 94 HG2 LYS 94 4.828 19.204 2.540 722 HG3 LYS 94 HG3 LYS 94 4.489 17.491 2.814 723 HD2 LYS 94 HD2 LYS 94 2.340 17.693 1.766 724 HD3 LYS 94 HD3 LYS 94 2.509 19.445 1.649 725 HE2 LYS 94 HE2 LYS 94 4.455 19.110 0.158 726 HE3 LYS 94 HE3 LYS 94 4.162 17.372 0.216 727 HZ1 LYS 94 HZ1 LYS 94 2.201 19.379 -0.756 728 HZ2 LYS 94 HZ2 LYS 94 2.024 17.694 -0.797 729 HZ3 LYS 94 HZ3 LYS 94 3.203 18.444 -1.756 730 H TYR 95 H TYR 95 2.942 17.756 7.308 731 HA TYR 95 HA TYR 95 0.356 19.125 7.636 732 HB2 TYR 95 HB2 TYR 95 1.549 16.955 9.368 733 HB3 TYR 95 HB3 TYR 95 0.143 17.913 9.819 734 HD1 TYR 95 HD1 TYR 95 1.411 15.315 7.563 735 HD2 TYR 95 HD2 TYR 95 -1.997 17.542 8.776 736 HE1 TYR 95 HE1 TYR 95 -0.034 13.751 6.344 737 HE2 TYR 95 HE2 TYR 95 -3.457 15.984 7.559 738 HH TYR 95 HH TYR 95 -3.215 14.394 5.591 739 H LYS 96 H LYS 96 0.211 20.704 9.189 740 HA LYS 96 HA LYS 96 2.806 21.665 10.218 741 HB2 LYS 96 HB2 LYS 96 1.253 22.968 8.471 742 HB3 LYS 96 HB3 LYS 96 0.476 23.504 9.950 743 HG2 LYS 96 HG2 LYS 96 2.075 25.127 9.337 744 HG3 LYS 96 HG3 LYS 96 2.711 24.272 10.745 745 HD2 LYS 96 HD2 LYS 96 4.570 24.300 9.398 746 HD3 LYS 96 HD3 LYS 96 3.836 22.776 8.893 747 HE2 LYS 96 HE2 LYS 96 4.489 23.991 6.934 748 HE3 LYS 96 HE3 LYS 96 2.728 23.982 7.031 749 HZ1 LYS 96 HZ1 LYS 96 2.851 26.235 7.996 750 HZ2 LYS 96 HZ2 LYS 96 3.488 26.158 6.426 751 HZ3 LYS 96 HZ3 LYS 96 4.532 26.226 7.759 752 H MET 97 H MET 97 3.015 21.892 12.393 753 HA MET 97 HA MET 97 0.874 20.925 14.071 754 HB2 MET 97 HB2 MET 97 3.688 21.841 14.658 755 HB3 MET 97 HB3 MET 97 2.566 21.364 15.923 756 HG2 MET 97 HG2 MET 97 3.461 19.604 13.654 757 HG3 MET 97 HG3 MET 97 4.128 19.579 15.287 758 HE1 MET 97 HE1 MET 97 2.147 16.247 15.318 759 HE2 MET 97 HE2 MET 97 3.653 17.051 15.770 760 HE3 MET 97 HE3 MET 97 3.195 16.935 14.072 761 H THR 98 H THR 98 -0.371 22.926 13.206 762 HA THR 98 HA THR 98 0.379 25.455 14.331 763 HB THR 98 HB THR 98 -0.717 25.373 12.154 764 HG1 THR 98 HG1 THR 98 -1.009 27.225 13.532 765 HG21 THR 98 HG21 THR 98 -3.101 24.309 13.670 766 HG22 THR 98 HG22 THR 98 -2.167 23.465 12.432 767 HG23 THR 98 HG23 THR 98 -3.138 24.872 12.000 768 H SER 99 H SER 99 -1.605 22.813 15.351 769 HA SER 99 HA SER 99 -2.584 24.472 17.570 770 HB2 SER 99 HB2 SER 99 -3.979 22.160 16.208 771 HB3 SER 99 HB3 SER 99 -4.563 22.965 17.666 772 HG SER 99 HG SER 99 -4.336 24.955 16.255 773 H ILE 100 H ILE 100 -1.204 24.007 19.159 774 HA ILE 100 HA ILE 100 -0.776 21.164 19.825 775 HB ILE 100 HB ILE 100 1.032 23.480 20.557 776 HG12 ILE 100 HG12 ILE 100 1.465 21.346 18.451 777 HG13 ILE 100 HG13 ILE 100 1.028 23.014 18.109 778 HG21 ILE 100 HG21 ILE 100 1.343 20.495 20.847 779 HG22 ILE 100 HG22 ILE 100 1.140 21.669 22.148 780 HG23 ILE 100 HG23 ILE 100 2.611 21.676 21.174 781 HD11 ILE 100 HD11 ILE 100 3.562 22.076 19.428 782 HD12 ILE 100 HD12 ILE 100 3.126 23.757 19.128 783 HD13 ILE 100 HD13 ILE 100 3.397 22.660 17.774 784 H ARG 101 H ARG 101 -1.739 20.524 21.688 785 HA ARG 101 HA ARG 101 -2.110 22.492 23.819 786 HB2 ARG 101 HB2 ARG 101 -4.483 21.993 24.068 787 HB3 ARG 101 HB3 ARG 101 -4.160 22.627 22.463 788 HG2 ARG 101 HG2 ARG 101 -4.191 20.308 21.595 789 HG3 ARG 101 HG3 ARG 101 -4.656 19.753 23.203 790 HD2 ARG 101 HD2 ARG 101 -6.606 21.396 23.010 791 HD3 ARG 101 HD3 ARG 101 -6.205 21.483 21.296 792 HE ARG 101 HE ARG 101 -6.798 18.897 22.566 793 HH11 ARG 101 HH11 ARG 101 -7.487 21.321 20.129 794 HH12 ARG 101 HH12 ARG 101 -8.687 20.353 19.328 795 HH21 ARG 101 HH21 ARG 101 -8.403 17.637 21.509 796 HH22 ARG 101 HH22 ARG 101 -9.209 18.274 20.109 797 H ASP 102 H ASP 102 -3.538 21.102 25.617 798 HA ASP 102 HA ASP 102 -2.319 18.434 25.804 799 HB2 ASP 102 HB2 ASP 102 -1.687 18.741 28.096 800 HB3 ASP 102 HB3 ASP 102 -1.011 20.087 27.186 801 H VAL 103 H VAL 103 -3.604 16.886 26.762 802 HA VAL 103 HA VAL 103 -6.257 17.821 27.609 803 HB VAL 103 HB VAL 103 -7.239 15.753 26.639 804 HG11 VAL 103 HG11 VAL 103 -5.874 17.626 24.709 805 HG12 VAL 103 HG12 VAL 103 -7.443 17.865 25.479 806 HG13 VAL 103 HG13 VAL 103 -7.222 16.560 24.312 807 HG21 VAL 103 HG21 VAL 103 -4.518 15.476 25.368 808 HG22 VAL 103 HG22 VAL 103 -5.957 14.579 24.880 809 HG23 VAL 103 HG23 VAL 103 -5.284 14.355 26.494 810 H LYS 104 H LYS 104 -7.472 15.981 28.763 811 HA LYS 104 HA LYS 104 -5.652 14.713 30.684 812 HB2 LYS 104 HB2 LYS 104 -7.724 15.661 32.273 813 HB3 LYS 104 HB3 LYS 104 -6.088 16.298 32.218 814 HG2 LYS 104 HG2 LYS 104 -8.125 17.298 30.280 815 HG3 LYS 104 HG3 LYS 104 -8.129 17.885 31.944 816 HD2 LYS 104 HD2 LYS 104 -5.926 18.752 31.734 817 HD3 LYS 104 HD3 LYS 104 -5.673 17.917 30.199 818 HE2 LYS 104 HE2 LYS 104 -7.319 19.322 29.124 819 HE3 LYS 104 HE3 LYS 104 -7.701 20.101 30.659 820 HZ1 LYS 104 HZ1 LYS 104 -6.189 21.376 29.166 821 HZ2 LYS 104 HZ2 LYS 104 -5.005 20.187 29.414 822 HZ3 LYS 104 HZ3 LYS 104 -5.574 21.103 30.722 823 HA PRO 105 HA PRO 105 -8.606 11.407 30.621 824 HB2 PRO 105 HB2 PRO 105 -8.599 10.514 33.177 825 HB3 PRO 105 HB3 PRO 105 -7.227 10.271 32.088 826 HG2 PRO 105 HG2 PRO 105 -7.612 12.346 34.217 827 HG3 PRO 105 HG3 PRO 105 -6.176 11.371 33.851 828 HD2 PRO 105 HD2 PRO 105 -6.445 13.935 33.026 829 HD3 PRO 105 HD3 PRO 105 -5.551 12.717 32.092 830 H THR 106 H THR 106 -9.508 14.253 31.437 831 HA THR 106 HA THR 106 -12.160 13.504 32.284 832 HB THR 106 HB THR 106 -10.994 13.604 34.432 833 HG1 THR 106 HG1 THR 106 -13.040 15.347 33.755 834 HG21 THR 106 HG21 THR 106 -9.201 15.136 33.844 835 HG22 THR 106 HG22 THR 106 -10.074 15.726 35.259 836 HG23 THR 106 HG23 THR 106 -10.359 16.456 33.679 837 H ASP 107 H ASP 107 -10.372 15.256 30.253 838 HA ASP 107 HA ASP 107 -11.619 17.834 30.571 839 HB2 ASP 107 HB2 ASP 107 -10.403 18.531 28.632 840 HB3 ASP 107 HB3 ASP 107 -9.319 17.568 29.621 841 H VAL 108 H VAL 108 -12.510 18.795 28.406 842 HA VAL 108 HA VAL 108 -14.515 16.926 27.342 843 HB VAL 108 HB VAL 108 -16.090 18.858 27.192 844 HG11 VAL 108 HG11 VAL 108 -16.304 17.281 29.013 845 HG12 VAL 108 HG12 VAL 108 -16.656 18.909 29.591 846 HG13 VAL 108 HG13 VAL 108 -15.101 18.160 29.953 847 HG21 VAL 108 HG21 VAL 108 -15.631 20.862 28.535 848 HG22 VAL 108 HG22 VAL 108 -14.460 20.668 27.230 849 HG23 VAL 108 HG23 VAL 108 -14.013 20.249 28.883 850 H GLU 109 H GLU 109 -11.875 17.776 26.347 851 HA GLU 109 HA GLU 109 -12.656 19.326 23.955 852 HB2 GLU 109 HB2 GLU 109 -9.910 19.085 25.199 853 HB3 GLU 109 HB3 GLU 109 -10.370 20.131 23.860 854 HG2 GLU 109 HG2 GLU 109 -11.803 21.419 25.312 855 HG3 GLU 109 HG3 GLU 109 -11.468 20.321 26.649 856 H VAL 110 H VAL 110 -12.134 16.278 24.896 857 HA VAL 110 HA VAL 110 -10.796 15.545 22.379 858 HB VAL 110 HB VAL 110 -10.493 13.285 23.372 859 HG11 VAL 110 HG11 VAL 110 -8.697 14.909 23.463 860 HG12 VAL 110 HG12 VAL 110 -8.717 13.939 24.935 861 HG13 VAL 110 HG13 VAL 110 -9.354 15.583 24.955 862 HG21 VAL 110 HG21 VAL 110 -12.344 13.335 24.967 863 HG22 VAL 110 HG22 VAL 110 -11.517 14.588 25.892 864 HG23 VAL 110 HG23 VAL 110 -10.815 12.975 25.771 865 H LEU 111 H LEU 111 -13.870 15.638 23.810 866 HA LEU 111 HA LEU 111 -14.812 13.483 22.066 867 HB2 LEU 111 HB2 LEU 111 -16.925 13.650 23.525 868 HB3 LEU 111 HB3 LEU 111 -15.510 12.842 24.155 869 HG LEU 111 HG LEU 111 -16.796 14.307 25.755 870 HD11 LEU 111 HD11 LEU 111 -14.571 13.532 26.261 871 HD12 LEU 111 HD12 LEU 111 -14.827 15.166 26.872 872 HD13 LEU 111 HD13 LEU 111 -13.881 14.909 25.408 873 HD21 LEU 111 HD21 LEU 111 -15.540 16.520 24.164 874 HD22 LEU 111 HD22 LEU 111 -16.306 16.707 25.741 875 HD23 LEU 111 HD23 LEU 111 -17.265 16.198 24.351 876 H ASP 112 H ASP 112 -14.509 16.698 21.936 877 HA ASP 112 HA ASP 112 -17.155 17.264 20.855 878 HB2 ASP 112 HB2 ASP 112 -16.384 19.570 20.632 879 HB3 ASP 112 HB3 ASP 112 -16.068 18.976 22.258 880 H GLU 113 H GLU 113 -17.026 18.682 18.744 881 HA GLU 113 HA GLU 113 -16.057 16.866 16.746 882 HB2 GLU 113 HB2 GLU 113 -17.249 19.605 16.304 883 HB3 GLU 113 HB3 GLU 113 -17.179 18.273 15.159 884 HG2 GLU 113 HG2 GLU 113 -18.824 18.403 17.673 885 HG3 GLU 113 HG3 GLU 113 -19.410 18.487 16.013 886 H GLN 114 H GLN 114 -13.958 16.831 16.280 887 HA GLN 114 HA GLN 114 -12.312 19.167 16.655 888 HB2 GLN 114 HB2 GLN 114 -11.474 16.512 15.486 889 HB3 GLN 114 HB3 GLN 114 -10.452 17.717 16.258 890 HG2 GLN 114 HG2 GLN 114 -12.634 16.241 17.687 891 HG3 GLN 114 HG3 GLN 114 -10.964 15.684 17.625 892 HE21 GLN 114 HE21 GLN 114 -12.693 16.538 19.850 893 HE22 GLN 114 HE22 GLN 114 -11.829 17.793 20.671 894 H LYS 115 H LYS 115 -13.613 20.294 15.023 895 HA LYS 115 HA LYS 115 -12.721 19.791 12.279 896 HB2 LYS 115 HB2 LYS 115 -14.771 20.951 11.617 897 HB3 LYS 115 HB3 LYS 115 -15.082 19.536 12.618 898 HG2 LYS 115 HG2 LYS 115 -15.064 21.248 14.567 899 HG3 LYS 115 HG3 LYS 115 -15.391 22.411 13.278 900 HD2 LYS 115 HD2 LYS 115 -17.328 21.185 12.597 901 HD3 LYS 115 HD3 LYS 115 -16.954 19.897 13.744 902 HE2 LYS 115 HE2 LYS 115 -18.699 21.317 14.653 903 HE3 LYS 115 HE3 LYS 115 -17.213 21.491 15.595 904 HZ1 LYS 115 HZ1 LYS 115 -18.353 23.621 15.085 905 HZ2 LYS 115 HZ2 LYS 115 -18.033 23.365 13.438 906 HZ3 LYS 115 HZ3 LYS 115 -16.750 23.560 14.530 907 H GLY 116 H GLY 116 -13.403 22.174 11.123 908 HA2 GLY 116 HA2 GLY 116 -13.167 24.548 11.326 909 HA3 GLY 116 HA3 GLY 116 -12.067 24.292 12.676 910 H LYS 117 H LYS 117 -10.742 22.115 11.152 911 HA LYS 117 HA LYS 117 -9.215 23.770 9.259 912 HB2 LYS 117 HB2 LYS 117 -8.079 21.693 11.127 913 HB3 LYS 117 HB3 LYS 117 -7.181 22.753 10.045 914 HG2 LYS 117 HG2 LYS 117 -8.436 24.624 11.424 915 HG3 LYS 117 HG3 LYS 117 -8.479 23.348 12.642 916 HD2 LYS 117 HD2 LYS 117 -6.055 23.094 12.437 917 HD3 LYS 117 HD3 LYS 117 -6.038 24.392 11.241 918 HE2 LYS 117 HE2 LYS 117 -5.396 25.255 13.421 919 HE3 LYS 117 HE3 LYS 117 -6.944 25.937 12.920 920 HZ1 LYS 117 HZ1 LYS 117 -8.024 24.197 14.316 921 HZ2 LYS 117 HZ2 LYS 117 -7.121 25.330 15.189 922 HZ3 LYS 117 HZ3 LYS 117 -6.490 23.780 14.908 923 H ASP 118 H ASP 118 -7.577 21.981 8.142 924 HA ASP 118 HA ASP 118 -9.378 20.120 6.811 925 HB2 ASP 118 HB2 ASP 118 -7.339 21.612 5.837 926 HB3 ASP 118 HB3 ASP 118 -6.495 20.092 6.129 927 H LYS 119 H LYS 119 -7.234 18.177 6.213 928 HA LYS 119 HA LYS 119 -7.718 16.312 8.224 929 HB2 LYS 119 HB2 LYS 119 -5.068 16.141 6.898 930 HB3 LYS 119 HB3 LYS 119 -6.263 14.887 7.180 931 HG2 LYS 119 HG2 LYS 119 -6.460 17.026 5.097 932 HG3 LYS 119 HG3 LYS 119 -5.902 15.386 4.813 933 HD2 LYS 119 HD2 LYS 119 -8.136 14.590 5.614 934 HD3 LYS 119 HD3 LYS 119 -8.653 16.281 5.638 935 HE2 LYS 119 HE2 LYS 119 -7.842 14.599 3.286 936 HE3 LYS 119 HE3 LYS 119 -9.350 15.474 3.545 937 HZ1 LYS 119 HZ1 LYS 119 -8.055 17.564 3.400 938 HZ2 LYS 119 HZ2 LYS 119 -8.025 16.659 1.962 939 HZ3 LYS 119 HZ3 LYS 119 -6.672 16.663 2.991 940 H GLN 120 H GLN 120 -7.050 16.198 10.224 941 HA GLN 120 HA GLN 120 -4.572 17.609 10.925 942 HB2 GLN 120 HB2 GLN 120 -5.494 18.058 13.124 943 HB3 GLN 120 HB3 GLN 120 -6.561 18.689 11.880 944 HG2 GLN 120 HG2 GLN 120 -8.064 16.817 12.176 945 HG3 GLN 120 HG3 GLN 120 -6.972 16.100 13.360 946 HE21 GLN 120 HE21 GLN 120 -8.377 16.131 15.050 947 HE22 GLN 120 HE22 GLN 120 -8.953 17.583 15.789 948 H LEU 121 H LEU 121 -2.973 16.321 11.448 949 HA LEU 121 HA LEU 121 -3.428 13.610 12.313 950 HB2 LEU 121 HB2 LEU 121 -0.924 15.275 12.074 951 HB3 LEU 121 HB3 LEU 121 -0.918 13.648 12.723 952 HG LEU 121 HG LEU 121 -1.610 14.486 9.910 953 HD11 LEU 121 HD11 LEU 121 0.761 14.391 10.378 954 HD12 LEU 121 HD12 LEU 121 0.297 13.036 9.349 955 HD13 LEU 121 HD13 LEU 121 0.586 12.779 11.070 956 HD21 LEU 121 HD21 LEU 121 -1.963 12.103 9.455 957 HD22 LEU 121 HD22 LEU 121 -3.140 12.724 10.612 958 HD23 LEU 121 HD23 LEU 121 -1.781 11.749 11.173 959 H THR 122 H THR 122 -4.416 13.509 14.207 960 HA THR 122 HA THR 122 -3.691 15.296 16.365 961 HB THR 122 HB THR 122 -5.633 12.981 16.462 962 HG1 THR 122 HG1 THR 122 -5.811 14.940 14.798 963 HG21 THR 122 HG21 THR 122 -5.057 13.984 18.616 964 HG22 THR 122 HG22 THR 122 -6.728 14.344 18.180 965 HG23 THR 122 HG23 THR 122 -5.480 15.579 17.997 966 H LEU 123 H LEU 123 -1.677 14.750 17.082 967 HA LEU 123 HA LEU 123 -1.077 11.942 17.642 968 HB2 LEU 123 HB2 LEU 123 0.747 14.329 17.940 969 HB3 LEU 123 HB3 LEU 123 1.209 12.639 17.935 970 HG LEU 123 HG LEU 123 0.262 14.283 15.590 971 HD11 LEU 123 HD11 LEU 123 2.838 12.836 16.167 972 HD12 LEU 123 HD12 LEU 123 2.589 14.582 16.192 973 HD13 LEU 123 HD13 LEU 123 2.449 13.693 14.675 974 HD21 LEU 123 HD21 LEU 123 0.496 12.260 14.245 975 HD22 LEU 123 HD22 LEU 123 -0.750 12.058 15.477 976 HD23 LEU 123 HD23 LEU 123 0.838 11.323 15.701 977 H ILE 124 H ILE 124 -2.020 11.363 19.531 978 HA ILE 124 HA ILE 124 -1.761 13.176 21.827 979 HB ILE 124 HB ILE 124 -3.301 10.575 21.776 980 HG12 ILE 124 HG12 ILE 124 -5.278 12.354 21.758 981 HG13 ILE 124 HG13 ILE 124 -4.093 13.305 20.869 982 HG21 ILE 124 HG21 ILE 124 -4.448 11.546 23.722 983 HG22 ILE 124 HG22 ILE 124 -3.399 12.959 23.620 984 HG23 ILE 124 HG23 ILE 124 -2.712 11.376 23.988 985 HD11 ILE 124 HD11 ILE 124 -5.554 12.094 19.364 986 HD12 ILE 124 HD12 ILE 124 -5.093 10.568 20.118 987 HD13 ILE 124 HD13 ILE 124 -3.895 11.507 19.225 988 H THR 125 H THR 125 0.356 12.892 22.444 989 HA THR 125 HA THR 125 1.306 10.158 22.841 990 HB THR 125 HB THR 125 2.867 12.723 23.204 991 HG1 THR 125 HG1 THR 125 1.877 12.033 20.999 992 HG21 THR 125 HG21 THR 125 4.811 11.256 22.892 993 HG22 THR 125 HG22 THR 125 3.740 9.862 22.749 994 HG23 THR 125 HG23 THR 125 3.844 10.742 24.275 995 H CYS 126 H CYS 126 0.829 9.267 24.699 996 HA CYS 126 HA CYS 126 0.442 10.919 27.076 997 HB2 CYS 126 HB2 CYS 126 -0.088 7.967 26.664 998 HB3 CYS 126 HB3 CYS 126 -0.597 8.935 28.043 999 H ASP 127 H ASP 127 2.283 11.311 28.169 1000 HA ASP 127 HA ASP 127 3.840 8.979 28.966 1001 HB2 ASP 127 HB2 ASP 127 5.976 10.088 28.662 1002 HB3 ASP 127 HB3 ASP 127 5.115 10.019 27.133 1003 H ASP 128 H ASP 128 2.829 9.037 30.905 1004 HA ASP 128 HA ASP 128 4.048 10.824 32.819 1005 HB2 ASP 128 HB2 ASP 128 2.005 11.633 33.812 1006 HB3 ASP 128 HB3 ASP 128 1.938 12.001 32.094 1007 H TYR 129 H TYR 129 1.510 8.397 32.360 1008 HA TYR 129 HA TYR 129 1.035 6.432 33.353 1009 HB2 TYR 129 HB2 TYR 129 3.409 6.004 32.517 1010 HB3 TYR 129 HB3 TYR 129 3.948 6.305 34.162 1011 HD1 TYR 129 HD1 TYR 129 1.628 4.879 35.580 1012 HD2 TYR 129 HD2 TYR 129 4.086 3.762 32.295 1013 HE1 TYR 129 HE1 TYR 129 1.273 2.516 36.133 1014 HE2 TYR 129 HE2 TYR 129 3.731 1.391 32.830 1015 HH TYR 129 HH TYR 129 1.347 0.312 34.947 1016 H ASN 130 H ASN 130 -0.249 7.532 34.924 1017 HA ASN 130 HA ASN 130 0.850 8.052 37.528 1018 HB2 ASN 130 HB2 ASN 130 -1.095 9.323 36.697 1019 HB3 ASN 130 HB3 ASN 130 -2.039 7.842 36.620 1020 HD21 ASN 130 HD21 ASN 130 -2.409 10.369 38.135 1021 HD22 ASN 130 HD22 ASN 130 -2.574 9.877 39.792 1022 H GLU 131 H GLU 131 1.792 6.208 38.260 1023 HA GLU 131 HA GLU 131 0.622 3.629 38.220 1024 HB2 GLU 131 HB2 GLU 131 2.754 4.725 40.059 1025 HB3 GLU 131 HB3 GLU 131 2.426 3.025 39.755 1026 HG2 GLU 131 HG2 GLU 131 3.219 3.182 37.531 1027 HG3 GLU 131 HG3 GLU 131 3.271 4.944 37.603 1028 H LYS 132 H LYS 132 0.142 6.358 40.223 1029 HA LYS 132 HA LYS 132 -0.390 5.163 42.694 1030 HB2 LYS 132 HB2 LYS 132 -1.452 7.740 41.537 1031 HB3 LYS 132 HB3 LYS 132 -1.434 7.302 43.226 1032 HG2 LYS 132 HG2 LYS 132 0.978 7.738 41.488 1033 HG3 LYS 132 HG3 LYS 132 0.363 8.846 42.716 1034 HD2 LYS 132 HD2 LYS 132 1.267 6.033 43.316 1035 HD3 LYS 132 HD3 LYS 132 2.328 7.440 43.420 1036 HE2 LYS 132 HE2 LYS 132 0.955 8.423 45.121 1037 HE3 LYS 132 HE3 LYS 132 -0.265 7.164 44.928 1038 HZ1 LYS 132 HZ1 LYS 132 2.523 6.659 45.825 1039 HZ2 LYS 132 HZ2 LYS 132 1.246 5.545 45.789 1040 HZ3 LYS 132 HZ3 LYS 132 1.202 6.846 46.876 1041 H THR 133 H THR 133 -2.373 5.682 39.864 1042 HA THR 133 HA THR 133 -4.510 4.178 41.203 1043 HB THR 133 HB THR 133 -5.311 6.428 41.112 1044 HG1 THR 133 HG1 THR 133 -6.444 4.572 39.327 1045 HG21 THR 133 HG21 THR 133 -4.672 6.386 38.168 1046 HG22 THR 133 HG22 THR 133 -3.801 7.287 39.411 1047 HG23 THR 133 HG23 THR 133 -5.476 7.696 39.032 1048 H GLY 134 H GLY 134 -2.599 4.709 38.364 1049 HA2 GLY 134 HA2 GLY 134 -2.149 3.007 36.799 1050 HA3 GLY 134 HA3 GLY 134 -3.643 2.211 37.264 1051 H VAL 135 H VAL 135 -2.658 5.353 35.884 1052 HA VAL 135 HA VAL 135 -4.251 4.896 33.533 1053 HB VAL 135 HB VAL 135 -5.915 5.669 35.273 1054 HG11 VAL 135 HG11 VAL 135 -5.961 8.031 35.864 1055 HG12 VAL 135 HG12 VAL 135 -4.436 8.280 35.016 1056 HG13 VAL 135 HG13 VAL 135 -4.490 7.253 36.451 1057 HG21 VAL 135 HG21 VAL 135 -7.053 7.230 33.787 1058 HG22 VAL 135 HG22 VAL 135 -6.360 5.882 32.883 1059 HG23 VAL 135 HG23 VAL 135 -5.563 7.456 32.872 1060 H TRP 136 H TRP 136 -3.969 6.632 31.947 1061 HA TRP 136 HA TRP 136 -1.479 8.116 32.371 1062 HB2 TRP 136 HB2 TRP 136 -3.033 7.566 29.829 1063 HB3 TRP 136 HB3 TRP 136 -1.513 8.452 29.914 1064 HD1 TRP 136 HD1 TRP 136 -2.921 4.894 30.308 1065 HE1 TRP 136 HE1 TRP 136 -0.985 3.220 30.033 1066 HE3 TRP 136 HE3 TRP 136 0.986 8.190 30.086 1067 HZ2 TRP 136 HZ2 TRP 136 1.817 3.286 29.759 1068 HZ3 TRP 136 HZ3 TRP 136 3.261 7.299 29.812 1069 HH2 TRP 136 HH2 TRP 136 3.666 4.896 29.653 1070 H GLU 137 H GLU 137 -1.718 10.095 33.123 1071 HA GLU 137 HA GLU 137 -4.265 11.484 32.762 1072 HB2 GLU 137 HB2 GLU 137 -1.862 12.056 34.492 1073 HB3 GLU 137 HB3 GLU 137 -3.242 13.140 34.370 1074 HG2 GLU 137 HG2 GLU 137 -4.678 11.219 35.131 1075 HG3 GLU 137 HG3 GLU 137 -3.182 10.350 35.479 1076 H LYS 138 H LYS 138 -0.811 12.311 32.472 1077 HA LYS 138 HA LYS 138 -1.512 14.760 31.118 1078 HB2 LYS 138 HB2 LYS 138 1.205 13.605 31.731 1079 HB3 LYS 138 HB3 LYS 138 0.900 15.221 31.115 1080 HG2 LYS 138 HG2 LYS 138 0.114 14.106 33.792 1081 HG3 LYS 138 HG3 LYS 138 1.253 15.412 33.456 1082 HD2 LYS 138 HD2 LYS 138 -0.448 16.895 32.839 1083 HD3 LYS 138 HD3 LYS 138 -1.618 15.596 32.604 1084 HE2 LYS 138 HE2 LYS 138 -1.424 15.166 35.093 1085 HE3 LYS 138 HE3 LYS 138 -0.556 16.700 35.191 1086 HZ1 LYS 138 HZ1 LYS 138 -2.478 17.816 34.263 1087 HZ2 LYS 138 HZ2 LYS 138 -2.924 16.955 35.654 1088 HZ3 LYS 138 HZ3 LYS 138 -3.308 16.344 34.120 1089 H ARG 139 H ARG 139 -2.206 14.572 29.181 1090 HA ARG 139 HA ARG 139 -0.804 12.819 27.282 1091 HB2 ARG 139 HB2 ARG 139 -3.646 13.817 27.093 1092 HB3 ARG 139 HB3 ARG 139 -2.895 12.551 26.132 1093 HG2 ARG 139 HG2 ARG 139 -2.888 11.044 27.938 1094 HG3 ARG 139 HG3 ARG 139 -3.231 12.322 29.105 1095 HD2 ARG 139 HD2 ARG 139 -5.444 12.633 28.099 1096 HD3 ARG 139 HD3 ARG 139 -5.101 11.339 26.952 1097 HE ARG 139 HE ARG 139 -4.773 10.454 29.640 1098 HH11 ARG 139 HH11 ARG 139 -7.265 11.266 27.313 1099 HH12 ARG 139 HH12 ARG 139 -8.388 10.085 27.915 1100 HH21 ARG 139 HH21 ARG 139 -6.269 8.930 30.451 1101 HH22 ARG 139 HH22 ARG 139 -7.821 8.760 29.691 1102 H LYS 140 H LYS 140 0.617 14.169 26.286 1103 HA LYS 140 HA LYS 140 -0.177 16.867 25.603 1104 HB2 LYS 140 HB2 LYS 140 2.156 16.277 26.347 1105 HB3 LYS 140 HB3 LYS 140 2.363 15.430 24.820 1106 HG2 LYS 140 HG2 LYS 140 3.332 17.676 24.773 1107 HG3 LYS 140 HG3 LYS 140 2.033 17.491 23.592 1108 HD2 LYS 140 HD2 LYS 140 0.486 18.613 25.089 1109 HD3 LYS 140 HD3 LYS 140 1.746 18.756 26.317 1110 HE2 LYS 140 HE2 LYS 140 3.058 20.150 24.770 1111 HE3 LYS 140 HE3 LYS 140 1.759 20.030 23.584 1112 HZ1 LYS 140 HZ1 LYS 140 0.282 21.158 25.106 1113 HZ2 LYS 140 HZ2 LYS 140 1.666 22.100 24.867 1114 HZ3 LYS 140 HZ3 LYS 140 1.484 21.210 26.297 1115 H ILE 141 H ILE 141 -1.078 17.439 23.749 1116 HA ILE 141 HA ILE 141 -1.187 15.400 21.638 1117 HB ILE 141 HB ILE 141 -3.307 15.450 22.707 1118 HG12 ILE 141 HG12 ILE 141 -3.422 17.023 20.127 1119 HG13 ILE 141 HG13 ILE 141 -3.442 15.268 20.287 1120 HG21 ILE 141 HG21 ILE 141 -4.632 17.506 22.918 1121 HG22 ILE 141 HG22 ILE 141 -3.236 18.420 22.341 1122 HG23 ILE 141 HG23 ILE 141 -3.142 17.534 23.862 1123 HD11 ILE 141 HD11 ILE 141 -5.588 15.408 21.446 1124 HD12 ILE 141 HD12 ILE 141 -5.659 16.127 19.837 1125 HD13 ILE 141 HD13 ILE 141 -5.566 17.162 21.261 1126 H PHE 142 H PHE 142 -0.505 15.962 19.777 1127 HA PHE 142 HA PHE 142 -0.189 18.805 19.101 1128 HB2 PHE 142 HB2 PHE 142 1.331 16.340 18.254 1129 HB3 PHE 142 HB3 PHE 142 1.441 17.848 17.357 1130 HD1 PHE 142 HD1 PHE 142 3.181 19.234 17.837 1131 HD2 PHE 142 HD2 PHE 142 1.742 16.642 20.891 1132 HE1 PHE 142 HE1 PHE 142 4.978 20.002 19.328 1133 HE2 PHE 142 HE2 PHE 142 3.538 17.408 22.388 1134 HZ PHE 142 HZ PHE 142 5.160 19.086 21.607 1135 H VAL 143 H VAL 143 -1.482 19.576 17.557 1136 HA VAL 143 HA VAL 143 -2.829 17.652 15.775 1137 HB VAL 143 HB VAL 143 -3.718 20.429 16.570 1138 HG11 VAL 143 HG11 VAL 143 -5.810 19.879 15.441 1139 HG12 VAL 143 HG12 VAL 143 -5.139 18.323 14.951 1140 HG13 VAL 143 HG13 VAL 143 -4.445 19.819 14.324 1141 HG21 VAL 143 HG21 VAL 143 -3.890 18.862 18.428 1142 HG22 VAL 143 HG22 VAL 143 -4.797 17.742 17.411 1143 HG23 VAL 143 HG23 VAL 143 -5.489 19.309 17.830 1144 H ALA 144 H ALA 144 -1.842 17.580 13.895 1145 HA ALA 144 HA ALA 144 -0.708 20.055 12.784 1146 HB1 ALA 144 HB1 ALA 144 -0.046 17.210 12.048 1147 HB2 ALA 144 HB2 ALA 144 0.877 18.221 13.160 1148 HB3 ALA 144 HB3 ALA 144 0.753 18.669 11.460 1149 H THR 145 H THR 145 -1.746 20.985 11.177 1150 HA THR 145 HA THR 145 -3.910 19.572 9.836 1151 HB THR 145 HB THR 145 -3.081 22.467 9.563 1152 HG1 THR 145 HG1 THR 145 -4.436 21.088 11.555 1153 HG21 THR 145 HG21 THR 145 -5.428 22.778 8.856 1154 HG22 THR 145 HG22 THR 145 -5.674 21.033 8.956 1155 HG23 THR 145 HG23 THR 145 -4.549 21.699 7.771 1156 H GLU 146 H GLU 146 -4.032 19.206 7.657 1157 HA GLU 146 HA GLU 146 -1.673 18.686 6.246 1158 HB2 GLU 146 HB2 GLU 146 -3.842 17.537 5.896 1159 HB3 GLU 146 HB3 GLU 146 -4.483 19.000 5.164 1160 HG2 GLU 146 HG2 GLU 146 -3.098 18.788 3.278 1161 HG3 GLU 146 HG3 GLU 146 -2.075 17.586 4.063 1162 H VAL 147 H VAL 147 -0.426 19.845 4.978 1163 HA VAL 147 HA VAL 147 -1.230 22.592 4.278 1164 HB VAL 147 HB VAL 147 1.632 21.660 4.348 1165 HG11 VAL 147 HG11 VAL 147 1.327 23.817 3.404 1166 HG12 VAL 147 HG12 VAL 147 1.987 24.043 5.025 1167 HG13 VAL 147 HG13 VAL 147 0.270 24.312 4.727 1168 HG21 VAL 147 HG21 VAL 147 1.794 22.453 6.694 1169 HG22 VAL 147 HG22 VAL 147 0.813 20.997 6.508 1170 HG23 VAL 147 HG23 VAL 147 0.032 22.560 6.737 1171 H LYS 148 H LYS 148 -0.016 23.373 2.274 1172 HA LYS 148 HA LYS 148 -0.846 22.143 -0.011 1173 HB2 LYS 148 HB2 LYS 148 1.645 23.818 0.298 1174 HB3 LYS 148 HB3 LYS 148 0.812 23.499 -1.214 1175 HG2 LYS 148 HG2 LYS 148 -1.099 24.756 -0.494 1176 HG3 LYS 148 HG3 LYS 148 -0.409 24.951 1.123 1177 HD2 LYS 148 HD2 LYS 148 -0.102 26.965 -0.256 1178 HD3 LYS 148 HD3 LYS 148 1.441 26.238 0.200 1179 HE2 LYS 148 HE2 LYS 148 1.274 25.017 -2.068 1180 HE3 LYS 148 HE3 LYS 148 0.062 26.232 -2.465 1181 HZ1 LYS 148 HZ1 LYS 148 1.721 27.955 -1.983 1182 HZ2 LYS 148 HZ2 LYS 148 2.221 26.923 -3.234 1183 HZ3 LYS 148 HZ3 LYS 148 2.880 26.750 -1.683 1184 H1 JPT 201 H7 UNK 201 -2.868 7.791 27.695 1185 H11 JPT 201 H11 UNK 201 -2.973 5.213 27.489 1186 H12 JPT 201 H12 UNK 201 -1.049 5.184 23.266 1187 H13 JPT 201 H13 UNK 201 -1.713 7.576 24.075 1188 H62 JPT 201 H62 UNK 201 -7.087 9.252 23.164 1189 H61 JPT 201 H61 UNK 201 -5.379 9.708 22.999 1190 H3 JPT 201 H3 UNK 201 -5.973 7.981 21.529 1191 H4 JPT 201 H4 UNK 201 -5.875 6.918 28.797 1192 H2 JPT 201 H2 UNK 201 -7.909 8.091 25.028 Start of MODEL 14 1 HA MET 1 HA MET 1 -5.720 6.792 -6.528 2 HB2 MET 1 HB2 MET 1 -6.582 5.425 -8.378 3 HB3 MET 1 HB3 MET 1 -7.086 7.100 -8.527 4 HG2 MET 1 HG2 MET 1 -5.456 7.496 -10.243 5 HG3 MET 1 HG3 MET 1 -4.783 5.880 -10.027 6 HE1 MET 1 HE1 MET 1 -6.484 5.656 -13.549 7 HE2 MET 1 HE2 MET 1 -4.994 5.423 -12.634 8 HE3 MET 1 HE3 MET 1 -5.648 7.047 -12.852 9 H GLN 2 H GLN 2 -5.301 4.331 -7.855 10 HA GLN 2 HA GLN 2 -3.863 2.607 -8.094 11 HB2 GLN 2 HB2 GLN 2 -1.729 4.732 -8.317 12 HB3 GLN 2 HB3 GLN 2 -1.444 3.015 -8.549 13 HG2 GLN 2 HG2 GLN 2 -3.237 4.763 -10.215 14 HG3 GLN 2 HG3 GLN 2 -1.647 4.157 -10.672 15 HE21 GLN 2 HE21 GLN 2 -4.194 3.786 -11.997 16 HE22 GLN 2 HE22 GLN 2 -4.455 2.077 -12.085 17 H ALA 3 H ALA 3 -4.182 4.418 -5.564 18 HA ALA 3 HA ALA 3 -3.229 2.611 -3.668 19 HB1 ALA 3 HB1 ALA 3 -1.378 3.866 -2.667 20 HB2 ALA 3 HB2 ALA 3 -1.462 5.041 -3.977 21 HB3 ALA 3 HB3 ALA 3 -0.992 3.376 -4.318 22 H LYS 4 H LYS 4 -5.006 2.900 -2.485 23 HA LYS 4 HA LYS 4 -5.703 5.627 -1.685 24 HB2 LYS 4 HB2 LYS 4 -7.275 3.074 -1.421 25 HB3 LYS 4 HB3 LYS 4 -7.819 4.647 -0.865 26 HG2 LYS 4 HG2 LYS 4 -7.637 5.441 -3.235 27 HG3 LYS 4 HG3 LYS 4 -7.350 3.762 -3.699 28 HD2 LYS 4 HD2 LYS 4 -9.792 4.832 -2.283 29 HD3 LYS 4 HD3 LYS 4 -9.701 4.343 -3.976 30 HE2 LYS 4 HE2 LYS 4 -9.220 2.057 -3.308 31 HE3 LYS 4 HE3 LYS 4 -9.233 2.534 -1.611 32 HZ1 LYS 4 HZ1 LYS 4 -11.559 3.140 -1.831 33 HZ2 LYS 4 HZ2 LYS 4 -11.322 1.517 -2.275 34 HZ3 LYS 4 HZ3 LYS 4 -11.542 2.699 -3.470 35 HA PRO 5 HA PRO 5 -3.360 4.459 2.018 36 HB2 PRO 5 HB2 PRO 5 -3.620 6.994 3.082 37 HB3 PRO 5 HB3 PRO 5 -2.307 6.481 2.015 38 HG2 PRO 5 HG2 PRO 5 -4.812 7.967 1.367 39 HG3 PRO 5 HG3 PRO 5 -3.167 8.223 0.752 40 HD2 PRO 5 HD2 PRO 5 -5.029 6.971 -0.715 41 HD3 PRO 5 HD3 PRO 5 -3.331 6.449 -0.757 42 H GLN 6 H GLN 6 -4.291 3.510 3.668 43 HA GLN 6 HA GLN 6 -6.670 4.589 4.916 44 HB2 GLN 6 HB2 GLN 6 -7.991 2.549 4.559 45 HB3 GLN 6 HB3 GLN 6 -7.598 3.327 3.031 46 HG2 GLN 6 HG2 GLN 6 -5.714 1.715 2.773 47 HG3 GLN 6 HG3 GLN 6 -6.301 0.884 4.212 48 HE21 GLN 6 HE21 GLN 6 -6.944 1.654 0.886 49 HE22 GLN 6 HE22 GLN 6 -8.179 0.462 0.638 50 H ILE 7 H ILE 7 -7.441 2.956 6.589 51 HA ILE 7 HA ILE 7 -5.102 1.835 7.962 52 HB ILE 7 HB ILE 7 -7.635 3.054 9.071 53 HG12 ILE 7 HG12 ILE 7 -4.813 3.941 9.566 54 HG13 ILE 7 HG13 ILE 7 -5.673 4.448 8.115 55 HG21 ILE 7 HG21 ILE 7 -6.963 1.157 10.455 56 HG22 ILE 7 HG22 ILE 7 -6.699 2.687 11.293 57 HG23 ILE 7 HG23 ILE 7 -5.336 1.825 10.581 58 HD11 ILE 7 HD11 ILE 7 -6.506 4.967 10.954 59 HD12 ILE 7 HD12 ILE 7 -7.407 5.446 9.513 60 HD13 ILE 7 HD13 ILE 7 -5.814 6.134 9.826 61 HA PRO 8 HA PRO 8 -7.499 -1.764 6.602 62 HB2 PRO 8 HB2 PRO 8 -5.047 -3.188 7.412 63 HB3 PRO 8 HB3 PRO 8 -5.878 -3.171 5.854 64 HG2 PRO 8 HG2 PRO 8 -3.553 -1.907 6.192 65 HG3 PRO 8 HG3 PRO 8 -4.832 -1.235 5.163 66 HD2 PRO 8 HD2 PRO 8 -4.067 -0.483 7.965 67 HD3 PRO 8 HD3 PRO 8 -4.485 0.567 6.594 68 H LYS 9 H LYS 9 -8.142 -3.758 7.510 69 HA LYS 9 HA LYS 9 -8.878 -3.628 10.228 70 HB2 LYS 9 HB2 LYS 9 -8.880 -5.959 8.322 71 HB3 LYS 9 HB3 LYS 9 -9.690 -5.945 9.880 72 HG2 LYS 9 HG2 LYS 9 -10.301 -4.117 7.567 73 HG3 LYS 9 HG3 LYS 9 -11.239 -5.535 8.044 74 HD2 LYS 9 HD2 LYS 9 -11.753 -4.531 10.172 75 HD3 LYS 9 HD3 LYS 9 -10.703 -3.158 9.810 76 HE2 LYS 9 HE2 LYS 9 -12.153 -2.401 8.085 77 HE3 LYS 9 HE3 LYS 9 -13.095 -3.892 8.133 78 HZ1 LYS 9 HZ1 LYS 9 -12.905 -1.994 10.410 79 HZ2 LYS 9 HZ2 LYS 9 -13.959 -3.316 10.247 80 HZ3 LYS 9 HZ3 LYS 9 -14.149 -1.956 9.252 81 H ASP 10 H ASP 10 -6.266 -5.176 8.546 82 HA ASP 10 HA ASP 10 -5.428 -6.726 10.824 83 HB2 ASP 10 HB2 ASP 10 -5.050 -7.548 8.520 84 HB3 ASP 10 HB3 ASP 10 -3.957 -6.195 8.236 85 H LYS 11 H LYS 11 -3.991 -6.191 12.320 86 HA LYS 11 HA LYS 11 -3.054 -3.416 12.304 87 HB2 LYS 11 HB2 LYS 11 -3.166 -5.413 14.571 88 HB3 LYS 11 HB3 LYS 11 -2.827 -3.692 14.713 89 HG2 LYS 11 HG2 LYS 11 -5.048 -3.121 14.088 90 HG3 LYS 11 HG3 LYS 11 -5.412 -4.787 13.638 91 HD2 LYS 11 HD2 LYS 11 -4.772 -3.814 16.423 92 HD3 LYS 11 HD3 LYS 11 -6.387 -4.204 15.818 93 HE2 LYS 11 HE2 LYS 11 -4.052 -6.084 16.165 94 HE3 LYS 11 HE3 LYS 11 -5.551 -6.067 17.092 95 HZ1 LYS 11 HZ1 LYS 11 -5.115 -6.939 14.305 96 HZ2 LYS 11 HZ2 LYS 11 -6.656 -6.464 14.822 97 HZ3 LYS 11 HZ3 LYS 11 -5.875 -7.768 15.577 98 H SER 12 H SER 12 -1.830 -6.175 11.246 99 HA SER 12 HA SER 12 0.796 -5.888 12.511 100 HB2 SER 12 HB2 SER 12 -0.202 -8.090 10.689 101 HB3 SER 12 HB3 SER 12 1.288 -8.096 11.636 102 HG SER 12 HG SER 12 -0.842 -7.581 13.220 103 H LYS 13 H LYS 13 -0.677 -4.442 10.105 104 HA LYS 13 HA LYS 13 1.572 -4.609 8.220 105 HB2 LYS 13 HB2 LYS 13 -1.192 -3.481 7.794 106 HB3 LYS 13 HB3 LYS 13 0.083 -3.542 6.587 107 HG2 LYS 13 HG2 LYS 13 0.052 -6.024 6.798 108 HG3 LYS 13 HG3 LYS 13 -1.376 -5.853 7.827 109 HD2 LYS 13 HD2 LYS 13 -2.482 -4.609 5.996 110 HD3 LYS 13 HD3 LYS 13 -1.079 -4.934 4.975 111 HE2 LYS 13 HE2 LYS 13 -2.895 -6.998 6.223 112 HE3 LYS 13 HE3 LYS 13 -2.886 -6.516 4.528 113 HZ1 LYS 13 HZ1 LYS 13 -1.678 -8.559 4.828 114 HZ2 LYS 13 HZ2 LYS 13 -0.662 -7.844 5.984 115 HZ3 LYS 13 HZ3 LYS 13 -0.600 -7.330 4.367 116 H VAL 14 H VAL 14 1.831 -2.432 7.015 117 HA VAL 14 HA VAL 14 1.972 -0.295 9.037 118 HB VAL 14 HB VAL 14 3.548 -0.488 6.458 119 HG11 VAL 14 HG11 VAL 14 3.247 1.794 7.254 120 HG12 VAL 14 HG12 VAL 14 4.921 1.284 7.471 121 HG13 VAL 14 HG13 VAL 14 3.828 1.328 8.854 122 HG21 VAL 14 HG21 VAL 14 4.151 -2.295 8.019 123 HG22 VAL 14 HG22 VAL 14 4.464 -1.093 9.270 124 HG23 VAL 14 HG23 VAL 14 5.459 -1.130 7.816 125 H ALA 15 H ALA 15 0.566 1.327 8.805 126 HA ALA 15 HA ALA 15 -1.028 1.497 6.376 127 HB1 ALA 15 HB1 ALA 15 -2.138 1.586 8.554 128 HB2 ALA 15 HB2 ALA 15 -2.417 3.061 7.629 129 HB3 ALA 15 HB3 ALA 15 -1.248 3.055 8.950 130 H GLY 16 H GLY 16 1.485 3.229 8.013 131 HA2 GLY 16 HA2 GLY 16 2.111 4.808 5.739 132 HA3 GLY 16 HA3 GLY 16 1.253 5.772 6.937 133 H TYR 17 H TYR 17 3.775 6.486 6.291 134 HA TYR 17 HA TYR 17 5.320 5.632 8.658 135 HB2 TYR 17 HB2 TYR 17 6.387 6.652 6.021 136 HB3 TYR 17 HB3 TYR 17 7.360 6.234 7.425 137 HD1 TYR 17 HD1 TYR 17 7.932 3.985 7.907 138 HD2 TYR 17 HD2 TYR 17 5.167 4.841 4.789 139 HE1 TYR 17 HE1 TYR 17 8.069 1.651 7.155 140 HE2 TYR 17 HE2 TYR 17 5.298 2.508 4.028 141 HH TYR 17 HH TYR 17 6.793 0.601 4.154 142 H ILE 18 H ILE 18 5.893 7.163 10.060 143 HA ILE 18 HA ILE 18 5.069 9.897 9.406 144 HB ILE 18 HB ILE 18 3.980 8.961 11.382 145 HG12 ILE 18 HG12 ILE 18 4.582 10.746 13.009 146 HG13 ILE 18 HG13 ILE 18 5.961 11.156 11.991 147 HG21 ILE 18 HG21 ILE 18 5.258 8.512 13.435 148 HG22 ILE 18 HG22 ILE 18 6.752 8.701 12.515 149 HG23 ILE 18 HG23 ILE 18 5.639 7.389 12.129 150 HD11 ILE 18 HD11 ILE 18 4.442 11.702 10.164 151 HD12 ILE 18 HD12 ILE 18 4.101 12.659 11.605 152 HD13 ILE 18 HD13 ILE 18 3.065 11.294 11.188 153 H GLU 19 H GLU 19 6.587 11.216 8.812 154 HA GLU 19 HA GLU 19 9.262 10.904 9.978 155 HB2 GLU 19 HB2 GLU 19 8.537 11.595 7.133 156 HB3 GLU 19 HB3 GLU 19 10.149 11.805 7.802 157 HG2 GLU 19 HG2 GLU 19 10.155 9.363 8.328 158 HG3 GLU 19 HG3 GLU 19 8.639 9.235 7.436 159 H ILE 20 H ILE 20 9.635 12.503 11.264 160 HA ILE 20 HA ILE 20 8.886 15.225 10.428 161 HB ILE 20 HB ILE 20 8.939 14.259 13.299 162 HG12 ILE 20 HG12 ILE 20 6.508 14.891 11.613 163 HG13 ILE 20 HG13 ILE 20 7.078 13.256 11.935 164 HG21 ILE 20 HG21 ILE 20 7.969 16.834 12.064 165 HG22 ILE 20 HG22 ILE 20 9.445 16.626 13.006 166 HG23 ILE 20 HG23 ILE 20 7.872 16.412 13.773 167 HD11 ILE 20 HD11 ILE 20 5.241 13.859 13.395 168 HD12 ILE 20 HD12 ILE 20 6.157 15.242 13.997 169 HD13 ILE 20 HD13 ILE 20 6.721 13.601 14.319 170 HA PRO 21 HA PRO 21 13.450 15.004 10.668 171 HB2 PRO 21 HB2 PRO 21 13.084 17.694 9.462 172 HB3 PRO 21 HB3 PRO 21 14.114 16.356 8.938 173 HG2 PRO 21 HG2 PRO 21 11.879 16.952 7.617 174 HG3 PRO 21 HG3 PRO 21 12.378 15.271 7.860 175 HD2 PRO 21 HD2 PRO 21 10.259 16.834 9.269 176 HD3 PRO 21 HD3 PRO 21 10.258 15.133 8.760 177 H ASP 22 H ASP 22 11.319 17.648 11.490 178 HA ASP 22 HA ASP 22 13.011 19.210 13.051 179 HB2 ASP 22 HB2 ASP 22 10.034 18.735 13.313 180 HB3 ASP 22 HB3 ASP 22 10.913 20.014 14.145 181 H ALA 23 H ALA 23 11.252 16.268 13.857 182 HA ALA 23 HA ALA 23 12.367 16.423 16.582 183 HB1 ALA 23 HB1 ALA 23 9.923 16.379 16.532 184 HB2 ALA 23 HB2 ALA 23 10.568 14.907 17.258 185 HB3 ALA 23 HB3 ALA 23 9.966 14.882 15.601 186 H ASP 24 H ASP 24 13.253 15.302 13.804 187 HA ASP 24 HA ASP 24 14.436 13.571 12.943 188 HB2 ASP 24 HB2 ASP 24 15.837 14.242 14.947 189 HB3 ASP 24 HB3 ASP 24 15.114 12.885 15.801 190 H ILE 25 H ILE 25 11.668 13.127 13.590 191 HA ILE 25 HA ILE 25 11.470 10.372 14.485 192 HB ILE 25 HB ILE 25 9.408 12.397 13.600 193 HG12 ILE 25 HG12 ILE 25 10.001 11.122 16.280 194 HG13 ILE 25 HG13 ILE 25 10.393 12.772 15.811 195 HG21 ILE 25 HG21 ILE 25 8.941 9.569 14.547 196 HG22 ILE 25 HG22 ILE 25 8.662 10.175 12.915 197 HG23 ILE 25 HG23 ILE 25 7.690 10.775 14.260 198 HD11 ILE 25 HD11 ILE 25 8.024 13.291 15.622 199 HD12 ILE 25 HD12 ILE 25 8.421 12.687 17.230 200 HD13 ILE 25 HD13 ILE 25 7.619 11.633 16.067 201 H LYS 26 H LYS 26 11.228 8.628 13.175 202 HA LYS 26 HA LYS 26 10.479 8.902 10.397 203 HB2 LYS 26 HB2 LYS 26 13.118 9.256 10.910 204 HB3 LYS 26 HB3 LYS 26 13.072 7.505 10.760 205 HG2 LYS 26 HG2 LYS 26 11.950 9.349 8.680 206 HG3 LYS 26 HG3 LYS 26 13.622 8.790 8.671 207 HD2 LYS 26 HD2 LYS 26 11.203 6.989 8.649 208 HD3 LYS 26 HD3 LYS 26 12.127 7.448 7.217 209 HE2 LYS 26 HE2 LYS 26 14.106 6.377 8.112 210 HE3 LYS 26 HE3 LYS 26 13.263 6.011 9.616 211 HZ1 LYS 26 HZ1 LYS 26 12.556 4.945 6.934 212 HZ2 LYS 26 HZ2 LYS 26 11.760 4.589 8.385 213 HZ3 LYS 26 HZ3 LYS 26 13.360 4.088 8.159 214 H GLU 27 H GLU 27 8.915 7.614 11.962 215 HA GLU 27 HA GLU 27 9.782 4.797 12.079 216 HB2 GLU 27 HB2 GLU 27 8.035 6.351 13.986 217 HB3 GLU 27 HB3 GLU 27 8.240 4.607 14.048 218 HG2 GLU 27 HG2 GLU 27 10.455 6.623 14.347 219 HG3 GLU 27 HG3 GLU 27 9.638 5.801 15.675 220 HA PRO 28 HA PRO 28 6.050 3.805 9.836 221 HB2 PRO 28 HB2 PRO 28 5.816 1.196 10.432 222 HB3 PRO 28 HB3 PRO 28 7.123 1.801 9.408 223 HG2 PRO 28 HG2 PRO 28 7.172 1.049 12.301 224 HG3 PRO 28 HG3 PRO 28 8.373 0.724 11.039 225 HD2 PRO 28 HD2 PRO 28 8.575 2.759 12.878 226 HD3 PRO 28 HD3 PRO 28 9.357 2.773 11.284 227 H VAL 29 H VAL 29 3.897 3.919 10.206 228 HA VAL 29 HA VAL 29 2.970 3.667 12.981 229 HB VAL 29 HB VAL 29 1.585 4.946 10.612 230 HG11 VAL 29 HG11 VAL 29 0.021 5.847 12.258 231 HG12 VAL 29 HG12 VAL 29 0.862 4.980 13.541 232 HG13 VAL 29 HG13 VAL 29 0.014 4.083 12.282 233 HG21 VAL 29 HG21 VAL 29 3.015 6.213 12.949 234 HG22 VAL 29 HG22 VAL 29 2.109 7.078 11.708 235 HG23 VAL 29 HG23 VAL 29 3.573 6.193 11.276 236 H TYR 30 H TYR 30 1.578 2.121 13.584 237 HA TYR 30 HA TYR 30 0.748 0.206 11.528 238 HB2 TYR 30 HB2 TYR 30 1.144 -0.069 14.508 239 HB3 TYR 30 HB3 TYR 30 0.366 -1.313 13.535 240 HD1 TYR 30 HD1 TYR 30 3.530 0.210 14.483 241 HD2 TYR 30 HD2 TYR 30 1.656 -2.492 11.786 242 HE1 TYR 30 HE1 TYR 30 5.729 -0.729 13.899 243 HE2 TYR 30 HE2 TYR 30 3.839 -3.433 11.185 244 HH TYR 30 HH TYR 30 6.195 -2.838 11.235 245 HA PRO 31 HA PRO 31 -3.406 1.679 12.015 246 HB2 PRO 31 HB2 PRO 31 -4.624 -0.243 10.553 247 HB3 PRO 31 HB3 PRO 31 -3.681 1.056 9.813 248 HG2 PRO 31 HG2 PRO 31 -2.880 -1.769 10.396 249 HG3 PRO 31 HG3 PRO 31 -2.585 -0.800 8.940 250 HD2 PRO 31 HD2 PRO 31 -0.705 -1.172 10.851 251 HD3 PRO 31 HD3 PRO 31 -0.810 0.315 9.887 252 H GLY 32 H GLY 32 -5.193 1.205 13.284 253 HA2 GLY 32 HA2 GLY 32 -6.393 -1.079 13.908 254 HA3 GLY 32 HA3 GLY 32 -4.988 -1.163 14.959 255 HA PRO 33 HA PRO 33 -8.369 1.276 17.074 256 HB2 PRO 33 HB2 PRO 33 -9.318 -0.558 18.750 257 HB3 PRO 33 HB3 PRO 33 -9.802 -0.525 17.054 258 HG2 PRO 33 HG2 PRO 33 -7.807 -2.299 18.399 259 HG3 PRO 33 HG3 PRO 33 -9.047 -2.722 17.207 260 HD2 PRO 33 HD2 PRO 33 -6.396 -2.264 16.619 261 HD3 PRO 33 HD3 PRO 33 -7.728 -2.123 15.456 262 H ALA 34 H ALA 34 -5.485 0.853 17.511 263 HA ALA 34 HA ALA 34 -3.857 1.200 19.058 264 HB1 ALA 34 HB1 ALA 34 -5.195 3.184 19.583 265 HB2 ALA 34 HB2 ALA 34 -4.375 2.543 21.009 266 HB3 ALA 34 HB3 ALA 34 -6.101 2.251 20.774 267 H THR 35 H THR 35 -4.355 -1.332 18.933 268 HA THR 35 HA THR 35 -5.146 -2.488 21.430 269 HB THR 35 HB THR 35 -3.989 -4.557 20.297 270 HG1 THR 35 HG1 THR 35 -3.319 -4.235 18.321 271 HG21 THR 35 HG21 THR 35 -6.396 -4.321 20.619 272 HG22 THR 35 HG22 THR 35 -6.044 -4.991 19.025 273 HG23 THR 35 HG23 THR 35 -6.498 -3.294 19.189 274 HA PRO 36 HA PRO 36 -1.794 -1.913 24.072 275 HB2 PRO 36 HB2 PRO 36 -1.472 -4.721 24.654 276 HB3 PRO 36 HB3 PRO 36 -2.175 -3.454 25.657 277 HG2 PRO 36 HG2 PRO 36 -3.504 -5.431 23.945 278 HG3 PRO 36 HG3 PRO 36 -4.165 -4.473 25.279 279 HD2 PRO 36 HD2 PRO 36 -4.827 -4.026 22.695 280 HD3 PRO 36 HD3 PRO 36 -4.748 -2.723 23.898 281 H GLU 37 H GLU 37 -1.100 -5.086 22.530 282 HA GLU 37 HA GLU 37 1.692 -4.684 22.732 283 HB2 GLU 37 HB2 GLU 37 0.404 -6.560 20.758 284 HB3 GLU 37 HB3 GLU 37 1.963 -6.723 21.550 285 HG2 GLU 37 HG2 GLU 37 0.819 -8.192 22.815 286 HG3 GLU 37 HG3 GLU 37 0.389 -6.735 23.707 287 H GLN 38 H GLN 38 -0.603 -3.999 20.183 288 HA GLN 38 HA GLN 38 1.300 -3.786 18.089 289 HB2 GLN 38 HB2 GLN 38 -1.564 -2.931 18.369 290 HB3 GLN 38 HB3 GLN 38 -0.628 -2.498 16.948 291 HG2 GLN 38 HG2 GLN 38 -1.936 -4.464 16.497 292 HG3 GLN 38 HG3 GLN 38 -0.226 -4.880 16.506 293 HE21 GLN 38 HE21 GLN 38 0.543 -6.302 18.036 294 HE22 GLN 38 HE22 GLN 38 -0.488 -7.178 19.109 295 H LEU 39 H LEU 39 -0.016 -1.450 20.386 296 HA LEU 39 HA LEU 39 1.246 0.729 18.940 297 HB2 LEU 39 HB2 LEU 39 0.281 2.202 20.637 298 HB3 LEU 39 HB3 LEU 39 -0.918 1.182 19.878 299 HG LEU 39 HG LEU 39 -0.642 -0.318 21.983 300 HD11 LEU 39 HD11 LEU 39 0.380 2.313 23.043 301 HD12 LEU 39 HD12 LEU 39 1.337 0.841 22.867 302 HD13 LEU 39 HD13 LEU 39 -0.018 0.881 23.997 303 HD21 LEU 39 HD21 LEU 39 -2.319 1.042 23.161 304 HD22 LEU 39 HD22 LEU 39 -2.660 0.899 21.437 305 HD23 LEU 39 HD23 LEU 39 -1.963 2.388 22.075 306 H ASN 40 H ASN 40 2.372 -1.560 20.985 307 HA ASN 40 HA ASN 40 4.326 0.228 22.229 308 HB2 ASN 40 HB2 ASN 40 3.548 -2.615 22.749 309 HB3 ASN 40 HB3 ASN 40 5.123 -2.028 23.273 310 HD21 ASN 40 HD21 ASN 40 1.724 -1.953 23.798 311 HD22 ASN 40 HD22 ASN 40 1.765 -1.033 25.258 312 H ARG 41 H ARG 41 4.077 -2.347 19.844 313 HA ARG 41 HA ARG 41 6.883 -2.508 19.361 314 HB2 ARG 41 HB2 ARG 41 6.296 -3.642 17.259 315 HB3 ARG 41 HB3 ARG 41 5.405 -4.311 18.618 316 HG2 ARG 41 HG2 ARG 41 3.414 -3.134 17.955 317 HG3 ARG 41 HG3 ARG 41 4.291 -2.302 16.670 318 HD2 ARG 41 HD2 ARG 41 4.044 -5.299 16.811 319 HD3 ARG 41 HD3 ARG 41 2.873 -4.284 15.974 320 HE ARG 41 HE ARG 41 5.151 -3.500 14.835 321 HH11 ARG 41 HH11 ARG 41 4.002 -6.732 15.554 322 HH12 ARG 41 HH12 ARG 41 4.725 -7.439 14.137 323 HH21 ARG 41 HH21 ARG 41 6.103 -4.424 12.973 324 HH22 ARG 41 HH22 ARG 41 5.934 -6.132 12.681 325 H GLY 42 H GLY 42 4.324 -0.423 18.306 326 HA2 GLY 42 HA2 GLY 42 6.294 1.393 17.179 327 HA3 GLY 42 HA3 GLY 42 5.047 0.822 16.075 328 H VAL 43 H VAL 43 3.028 1.651 16.190 329 HA VAL 43 HA VAL 43 1.932 2.973 18.435 330 HB VAL 43 HB VAL 43 3.673 4.613 17.266 331 HG11 VAL 43 HG11 VAL 43 1.185 5.124 15.653 332 HG12 VAL 43 HG12 VAL 43 2.685 4.433 15.035 333 HG13 VAL 43 HG13 VAL 43 2.661 6.088 15.643 334 HG21 VAL 43 HG21 VAL 43 2.355 6.500 18.069 335 HG22 VAL 43 HG22 VAL 43 2.354 5.149 19.201 336 HG23 VAL 43 HG23 VAL 43 0.942 5.451 18.191 337 H SER 44 H SER 44 -0.312 3.592 17.956 338 HA SER 44 HA SER 44 -1.251 2.556 15.378 339 HB2 SER 44 HB2 SER 44 -1.417 0.820 17.234 340 HB3 SER 44 HB3 SER 44 -2.608 1.874 17.988 341 HG SER 44 HG SER 44 -2.776 0.705 15.405 342 H PHE 45 H PHE 45 -3.776 2.984 15.312 343 HA PHE 45 HA PHE 45 -4.002 5.863 15.641 344 HB2 PHE 45 HB2 PHE 45 -5.629 3.823 14.126 345 HB3 PHE 45 HB3 PHE 45 -6.127 5.504 14.282 346 HD1 PHE 45 HD1 PHE 45 -4.575 7.298 13.427 347 HD2 PHE 45 HD2 PHE 45 -4.074 3.178 12.494 348 HE1 PHE 45 HE1 PHE 45 -3.180 7.910 11.497 349 HE2 PHE 45 HE2 PHE 45 -2.686 3.782 10.554 350 HZ PHE 45 HZ PHE 45 -2.236 6.157 10.058 351 H ALA 46 H ALA 46 -6.339 6.622 16.118 352 HA ALA 46 HA ALA 46 -6.852 6.003 18.818 353 HB1 ALA 46 HB1 ALA 46 -7.306 8.195 17.800 354 HB2 ALA 46 HB2 ALA 46 -8.708 7.543 18.647 355 HB3 ALA 46 HB3 ALA 46 -8.634 7.478 16.887 356 H GLU 47 H GLU 47 -8.598 5.125 15.841 357 HA GLU 47 HA GLU 47 -9.955 3.027 17.381 358 HB2 GLU 47 HB2 GLU 47 -11.259 4.897 15.404 359 HB3 GLU 47 HB3 GLU 47 -12.012 3.434 16.020 360 HG2 GLU 47 HG2 GLU 47 -11.678 4.440 18.337 361 HG3 GLU 47 HG3 GLU 47 -11.334 5.953 17.496 362 H GLU 48 H GLU 48 -10.968 1.390 15.949 363 HA GLU 48 HA GLU 48 -9.111 0.477 13.985 364 HB2 GLU 48 HB2 GLU 48 -10.313 -1.092 15.405 365 HB3 GLU 48 HB3 GLU 48 -11.851 -0.530 14.772 366 HG2 GLU 48 HG2 GLU 48 -9.911 -1.557 12.800 367 HG3 GLU 48 HG3 GLU 48 -10.612 -2.733 13.908 368 H ASN 49 H ASN 49 -12.295 1.970 13.915 369 HA ASN 49 HA ASN 49 -12.579 1.672 11.070 370 HB2 ASN 49 HB2 ASN 49 -14.244 3.187 13.084 371 HB3 ASN 49 HB3 ASN 49 -14.646 3.037 11.374 372 HD21 ASN 49 HD21 ASN 49 -14.485 1.445 14.423 373 HD22 ASN 49 HD22 ASN 49 -15.293 -0.012 13.952 374 H GLU 50 H GLU 50 -10.498 3.446 12.607 375 HA GLU 50 HA GLU 50 -10.847 6.090 11.712 376 HB2 GLU 50 HB2 GLU 50 -8.804 4.534 13.012 377 HB3 GLU 50 HB3 GLU 50 -8.082 5.514 11.745 378 HG2 GLU 50 HG2 GLU 50 -9.894 6.613 13.876 379 HG3 GLU 50 HG3 GLU 50 -8.137 6.575 13.997 380 H SER 51 H SER 51 -9.966 7.161 9.894 381 HA SER 51 HA SER 51 -9.067 5.437 7.710 382 HB2 SER 51 HB2 SER 51 -11.501 7.227 7.520 383 HB3 SER 51 HB3 SER 51 -10.745 6.397 6.158 384 HG SER 51 HG SER 51 -11.902 5.175 8.453 385 H LEU 52 H LEU 52 -7.600 6.343 6.446 386 HA LEU 52 HA LEU 52 -6.609 8.967 7.024 387 HB2 LEU 52 HB2 LEU 52 -5.833 6.990 4.876 388 HB3 LEU 52 HB3 LEU 52 -4.937 8.440 5.289 389 HG LEU 52 HG LEU 52 -5.428 6.173 7.219 390 HD11 LEU 52 HD11 LEU 52 -4.101 5.307 5.429 391 HD12 LEU 52 HD12 LEU 52 -3.039 5.620 6.804 392 HD13 LEU 52 HD13 LEU 52 -3.067 6.737 5.437 393 HD21 LEU 52 HD21 LEU 52 -4.998 8.362 8.234 394 HD22 LEU 52 HD22 LEU 52 -3.510 8.497 7.295 395 HD23 LEU 52 HD23 LEU 52 -3.671 7.235 8.516 396 H ASP 53 H ASP 53 -9.122 7.906 5.193 397 HA ASP 53 HA ASP 53 -8.882 9.769 2.992 398 HB2 ASP 53 HB2 ASP 53 -10.013 7.556 2.739 399 HB3 ASP 53 HB3 ASP 53 -11.251 8.089 3.869 400 H ASP 54 H ASP 54 -9.810 9.845 6.206 401 HA ASP 54 HA ASP 54 -11.803 11.948 5.942 402 HB2 ASP 54 HB2 ASP 54 -11.872 10.017 7.654 403 HB3 ASP 54 HB3 ASP 54 -10.627 10.909 8.524 404 H GLN 55 H GLN 55 -11.241 13.567 8.096 405 HA GLN 55 HA GLN 55 -8.600 14.686 7.418 406 HB2 GLN 55 HB2 GLN 55 -9.614 16.939 7.912 407 HB3 GLN 55 HB3 GLN 55 -10.207 16.157 6.455 408 HG2 GLN 55 HG2 GLN 55 -12.246 16.564 7.196 409 HG3 GLN 55 HG3 GLN 55 -11.966 15.319 8.408 410 HE21 GLN 55 HE21 GLN 55 -9.930 17.001 9.774 411 HE22 GLN 55 HE22 GLN 55 -10.842 18.184 10.641 412 H ASN 56 H ASN 56 -10.231 13.123 9.717 413 HA ASN 56 HA ASN 56 -9.070 14.674 11.939 414 HB2 ASN 56 HB2 ASN 56 -11.427 12.777 11.957 415 HB3 ASN 56 HB3 ASN 56 -10.764 13.570 13.382 416 HD21 ASN 56 HD21 ASN 56 -12.571 13.979 10.444 417 HD22 ASN 56 HD22 ASN 56 -13.193 15.558 10.818 418 H ILE 57 H ILE 57 -7.247 13.159 10.760 419 HA ILE 57 HA ILE 57 -7.322 10.448 11.664 420 HB ILE 57 HB ILE 57 -5.018 11.982 10.447 421 HG12 ILE 57 HG12 ILE 57 -5.707 10.231 8.549 422 HG13 ILE 57 HG13 ILE 57 -7.280 10.424 9.314 423 HG21 ILE 57 HG21 ILE 57 -4.199 10.098 11.725 424 HG22 ILE 57 HG22 ILE 57 -4.044 9.776 9.997 425 HG23 ILE 57 HG23 ILE 57 -5.347 9.027 10.919 426 HD11 ILE 57 HD11 ILE 57 -7.180 12.814 8.942 427 HD12 ILE 57 HD12 ILE 57 -6.996 11.925 7.429 428 HD13 ILE 57 HD13 ILE 57 -5.586 12.639 8.212 429 H SER 58 H SER 58 -6.818 9.764 13.606 430 HA SER 58 HA SER 58 -5.094 11.488 15.278 431 HB2 SER 58 HB2 SER 58 -7.407 9.785 16.226 432 HB3 SER 58 HB3 SER 58 -6.457 10.914 17.193 433 HG SER 58 HG SER 58 -8.028 11.640 14.934 434 H ILE 59 H ILE 59 -3.310 10.571 16.033 435 HA ILE 59 HA ILE 59 -3.089 7.625 15.992 436 HB ILE 59 HB ILE 59 -0.832 9.647 15.999 437 HG12 ILE 59 HG12 ILE 59 -1.963 8.063 13.678 438 HG13 ILE 59 HG13 ILE 59 -2.165 9.793 13.922 439 HG21 ILE 59 HG21 ILE 59 0.565 7.736 15.378 440 HG22 ILE 59 HG22 ILE 59 -0.842 6.678 15.462 441 HG23 ILE 59 HG23 ILE 59 -0.241 7.460 16.924 442 HD11 ILE 59 HD11 ILE 59 0.442 8.371 13.447 443 HD12 ILE 59 HD12 ILE 59 0.243 10.107 13.689 444 HD13 ILE 59 HD13 ILE 59 -0.455 9.330 12.269 445 H ALA 60 H ALA 60 -2.526 6.551 17.863 446 HA ALA 60 HA ALA 60 -2.441 8.198 20.305 447 HB1 ALA 60 HB1 ALA 60 -4.318 6.622 20.121 448 HB2 ALA 60 HB2 ALA 60 -3.262 6.242 21.481 449 HB3 ALA 60 HB3 ALA 60 -3.170 5.285 20.000 450 H GLY 61 H GLY 61 -0.463 8.437 21.144 451 HA2 GLY 61 HA2 GLY 61 1.554 6.370 20.537 452 HA3 GLY 61 HA3 GLY 61 1.903 8.055 20.887 453 H HIS 62 H HIS 62 2.942 5.573 22.065 454 HA HIS 62 HA HIS 62 2.188 6.055 24.875 455 HB2 HIS 62 HB2 HIS 62 1.591 3.793 24.230 456 HB3 HIS 62 HB3 HIS 62 3.194 3.518 23.564 457 HD1 HIS 62 HD1 HIS 62 4.000 1.666 25.069 458 HD2 HIS 62 HD2 HIS 62 2.500 4.911 27.199 459 HE1 HIS 62 HE1 HIS 62 4.512 1.190 27.483 460 H THR 63 H THR 63 3.704 7.453 25.610 461 HA THR 63 HA THR 63 6.447 7.391 24.985 462 HB THR 63 HB THR 63 5.474 8.288 27.679 463 HG1 THR 63 HG1 THR 63 4.394 9.981 26.810 464 HG21 THR 63 HG21 THR 63 7.014 10.170 27.192 465 HG22 THR 63 HG22 THR 63 7.403 9.425 25.638 466 HG23 THR 63 HG23 THR 63 7.822 8.604 27.144 467 H PHE 64 H PHE 64 8.045 6.070 25.690 468 HA PHE 64 HA PHE 64 7.390 4.178 27.849 469 HB2 PHE 64 HB2 PHE 64 7.018 3.260 25.489 470 HB3 PHE 64 HB3 PHE 64 8.765 3.333 25.298 471 HD1 PHE 64 HD1 PHE 64 6.597 2.256 28.140 472 HD2 PHE 64 HD2 PHE 64 9.589 1.197 25.308 473 HE1 PHE 64 HE1 PHE 64 6.768 0.023 29.161 474 HE2 PHE 64 HE2 PHE 64 9.769 -1.034 26.325 475 HZ PHE 64 HZ PHE 64 8.355 -1.625 28.253 476 H ILE 65 H ILE 65 9.220 3.228 28.890 477 HA ILE 65 HA ILE 65 11.440 5.102 29.007 478 HB ILE 65 HB ILE 65 10.775 2.758 30.795 479 HG12 ILE 65 HG12 ILE 65 10.382 5.726 31.235 480 HG13 ILE 65 HG13 ILE 65 9.102 4.583 30.848 481 HG21 ILE 65 HG21 ILE 65 13.149 3.254 30.847 482 HG22 ILE 65 HG22 ILE 65 12.389 3.756 32.357 483 HG23 ILE 65 HG23 ILE 65 12.808 4.960 31.140 484 HD11 ILE 65 HD11 ILE 65 10.793 4.577 33.337 485 HD12 ILE 65 HD12 ILE 65 9.538 3.401 32.949 486 HD13 ILE 65 HD13 ILE 65 9.112 5.093 33.210 487 H ASP 66 H ASP 66 10.886 1.658 28.418 488 HA ASP 66 HA ASP 66 13.677 1.020 28.379 489 HB2 ASP 66 HB2 ASP 66 11.311 -0.630 27.474 490 HB3 ASP 66 HB3 ASP 66 12.945 -1.229 27.742 491 H ARG 67 H ARG 67 11.853 2.593 26.141 492 HA ARG 67 HA ARG 67 13.603 1.647 23.976 493 HB2 ARG 67 HB2 ARG 67 10.738 2.577 23.769 494 HB3 ARG 67 HB3 ARG 67 11.800 2.387 22.382 495 HG2 ARG 67 HG2 ARG 67 12.082 -0.016 23.076 496 HG3 ARG 67 HG3 ARG 67 10.774 0.254 24.230 497 HD2 ARG 67 HD2 ARG 67 9.861 -0.701 22.216 498 HD3 ARG 67 HD3 ARG 67 9.326 0.973 22.352 499 HE ARG 67 HE ARG 67 11.684 0.887 20.811 500 HH11 ARG 67 HH11 ARG 67 8.308 -0.059 20.599 501 HH12 ARG 67 HH12 ARG 67 8.251 0.071 18.870 502 HH21 ARG 67 HH21 ARG 67 11.591 1.089 18.529 503 HH22 ARG 67 HH22 ARG 67 10.112 0.735 17.696 504 HA PRO 68 HA PRO 68 14.607 6.029 23.956 505 HB2 PRO 68 HB2 PRO 68 17.084 5.751 22.976 506 HB3 PRO 68 HB3 PRO 68 16.710 5.377 24.661 507 HG2 PRO 68 HG2 PRO 68 17.218 3.544 22.384 508 HG3 PRO 68 HG3 PRO 68 17.557 3.319 24.108 509 HD2 PRO 68 HD2 PRO 68 15.359 2.289 22.661 510 HD3 PRO 68 HD3 PRO 68 15.576 2.272 24.421 511 H ASN 69 H ASN 69 13.829 3.892 21.598 512 HA ASN 69 HA ASN 69 14.165 5.844 19.458 513 HB2 ASN 69 HB2 ASN 69 16.122 4.204 19.521 514 HB3 ASN 69 HB3 ASN 69 14.961 2.963 19.054 515 HD21 ASN 69 HD21 ASN 69 16.672 5.806 18.085 516 HD22 ASN 69 HD22 ASN 69 16.323 5.693 16.389 517 H TYR 70 H TYR 70 11.867 5.961 19.939 518 HA TYR 70 HA TYR 70 10.490 4.174 18.087 519 HB2 TYR 70 HB2 TYR 70 8.524 3.985 19.551 520 HB3 TYR 70 HB3 TYR 70 9.948 3.279 20.302 521 HD1 TYR 70 HD1 TYR 70 11.046 4.419 22.181 522 HD2 TYR 70 HD2 TYR 70 7.415 5.883 20.520 523 HE1 TYR 70 HE1 TYR 70 10.697 5.807 24.174 524 HE2 TYR 70 HE2 TYR 70 7.059 7.276 22.515 525 HH TYR 70 HH TYR 70 9.483 7.848 24.809 526 H GLN 71 H GLN 71 7.955 5.268 18.428 527 HA GLN 71 HA GLN 71 7.910 7.122 16.441 528 HB2 GLN 71 HB2 GLN 71 5.886 6.930 18.666 529 HB3 GLN 71 HB3 GLN 71 5.608 7.555 17.047 530 HG2 GLN 71 HG2 GLN 71 6.453 4.728 17.597 531 HG3 GLN 71 HG3 GLN 71 4.771 5.237 17.494 532 HE21 GLN 71 HE21 GLN 71 6.289 3.373 15.838 533 HE22 GLN 71 HE22 GLN 71 6.130 3.952 14.220 534 H PHE 72 H PHE 72 6.820 8.178 19.662 535 HA PHE 72 HA PHE 72 7.520 10.888 18.800 536 HB2 PHE 72 HB2 PHE 72 5.564 9.992 20.925 537 HB3 PHE 72 HB3 PHE 72 5.806 11.647 20.375 538 HD1 PHE 72 HD1 PHE 72 5.727 11.728 17.627 539 HD2 PHE 72 HD2 PHE 72 3.627 9.031 20.164 540 HE1 PHE 72 HE1 PHE 72 4.032 11.406 15.875 541 HE2 PHE 72 HE2 PHE 72 1.933 8.698 18.411 542 HZ PHE 72 HZ PHE 72 2.136 9.885 16.262 543 H THR 73 H THR 73 9.441 9.043 20.072 544 HA THR 73 HA THR 73 9.892 9.618 22.775 545 HB THR 73 HB THR 73 12.229 9.292 20.939 546 HG1 THR 73 HG1 THR 73 11.028 7.781 19.952 547 HG21 THR 73 HG21 THR 73 11.412 7.975 23.527 548 HG22 THR 73 HG22 THR 73 12.553 9.309 23.359 549 HG23 THR 73 HG23 THR 73 12.943 7.727 22.685 550 H ASN 74 H ASN 74 10.861 11.329 19.849 551 HA ASN 74 HA ASN 74 12.225 13.360 21.485 552 HB2 ASN 74 HB2 ASN 74 13.573 12.040 19.791 553 HB3 ASN 74 HB3 ASN 74 12.624 12.825 18.534 554 HD21 ASN 74 HD21 ASN 74 14.384 13.831 17.633 555 HD22 ASN 74 HD22 ASN 74 15.205 15.151 18.397 556 H LEU 75 H LEU 75 9.313 13.136 20.775 557 HA LEU 75 HA LEU 75 8.731 15.043 18.744 558 HB2 LEU 75 HB2 LEU 75 7.187 13.229 19.491 559 HB3 LEU 75 HB3 LEU 75 6.934 14.115 20.982 560 HG LEU 75 HG LEU 75 5.951 15.980 19.713 561 HD11 LEU 75 HD11 LEU 75 6.314 14.182 17.319 562 HD12 LEU 75 HD12 LEU 75 7.185 15.683 17.626 563 HD13 LEU 75 HD13 LEU 75 5.445 15.717 17.339 564 HD21 LEU 75 HD21 LEU 75 3.893 14.828 19.014 565 HD22 LEU 75 HD22 LEU 75 4.481 14.262 20.577 566 HD23 LEU 75 HD23 LEU 75 4.738 13.284 19.132 567 H LYS 76 H LYS 76 9.971 15.454 21.796 568 HA LYS 76 HA LYS 76 8.679 17.911 22.488 569 HB2 LYS 76 HB2 LYS 76 10.536 18.106 24.160 570 HB3 LYS 76 HB3 LYS 76 9.618 16.612 24.266 571 HG2 LYS 76 HG2 LYS 76 11.743 15.819 24.483 572 HG3 LYS 76 HG3 LYS 76 11.534 15.684 22.738 573 HD2 LYS 76 HD2 LYS 76 12.671 17.868 22.478 574 HD3 LYS 76 HD3 LYS 76 12.946 17.903 24.220 575 HE2 LYS 76 HE2 LYS 76 14.219 15.793 24.027 576 HE3 LYS 76 HE3 LYS 76 13.995 15.847 22.280 577 HZ1 LYS 76 HZ1 LYS 76 15.113 18.085 22.379 578 HZ2 LYS 76 HZ2 LYS 76 16.106 16.749 22.687 579 HZ3 LYS 76 HZ3 LYS 76 15.561 17.711 23.971 580 H ALA 77 H ALA 77 10.892 17.082 20.135 581 HA ALA 77 HA ALA 77 12.196 19.691 20.055 582 HB1 ALA 77 HB1 ALA 77 13.511 17.675 19.566 583 HB2 ALA 77 HB2 ALA 77 13.477 18.787 18.198 584 HB3 ALA 77 HB3 ALA 77 12.468 17.340 18.184 585 H ALA 78 H ALA 78 9.251 18.711 19.342 586 HA ALA 78 HA ALA 78 8.988 19.885 16.694 587 HB1 ALA 78 HB1 ALA 78 7.703 17.876 17.220 588 HB2 ALA 78 HB2 ALA 78 6.638 19.239 16.874 589 HB3 ALA 78 HB3 ALA 78 6.902 18.729 18.542 590 H LYS 79 H LYS 79 7.627 21.668 16.260 591 HA LYS 79 HA LYS 79 6.779 23.304 18.507 592 HB2 LYS 79 HB2 LYS 79 7.904 25.326 17.629 593 HB3 LYS 79 HB3 LYS 79 9.027 24.115 18.213 594 HG2 LYS 79 HG2 LYS 79 8.347 24.256 15.309 595 HG3 LYS 79 HG3 LYS 79 9.520 25.372 16.006 596 HD2 LYS 79 HD2 LYS 79 10.829 23.457 16.822 597 HD3 LYS 79 HD3 LYS 79 9.662 22.357 16.085 598 HE2 LYS 79 HE2 LYS 79 10.183 23.290 13.882 599 HE3 LYS 79 HE3 LYS 79 11.349 24.386 14.623 600 HZ1 LYS 79 HZ1 LYS 79 11.523 21.435 14.793 601 HZ2 LYS 79 HZ2 LYS 79 12.699 22.551 15.277 602 HZ3 LYS 79 HZ3 LYS 79 12.333 22.353 13.629 603 H LYS 80 H LYS 80 6.161 25.583 17.286 604 HA LYS 80 HA LYS 80 3.649 25.185 16.275 605 HB2 LYS 80 HB2 LYS 80 3.740 27.547 15.556 606 HB3 LYS 80 HB3 LYS 80 4.351 27.300 17.186 607 HG2 LYS 80 HG2 LYS 80 6.614 27.508 16.442 608 HG3 LYS 80 HG3 LYS 80 6.108 27.525 14.754 609 HD2 LYS 80 HD2 LYS 80 5.502 29.628 16.832 610 HD3 LYS 80 HD3 LYS 80 6.649 29.771 15.496 611 HE2 LYS 80 HE2 LYS 80 4.704 29.357 13.945 612 HE3 LYS 80 HE3 LYS 80 3.653 29.545 15.348 613 HZ1 LYS 80 HZ1 LYS 80 4.722 31.772 15.664 614 HZ2 LYS 80 HZ2 LYS 80 3.760 31.625 14.278 615 HZ3 LYS 80 HZ3 LYS 80 5.450 31.568 14.143 616 H GLY 81 H GLY 81 6.598 24.983 14.453 617 HA2 GLY 81 HA2 GLY 81 4.958 24.720 12.025 618 HA3 GLY 81 HA3 GLY 81 6.368 25.771 12.005 619 H SER 82 H SER 82 5.968 22.582 13.494 620 HA SER 82 HA SER 82 8.347 21.545 12.368 621 HB2 SER 82 HB2 SER 82 5.991 19.938 13.370 622 HB3 SER 82 HB3 SER 82 7.691 19.471 13.358 623 HG SER 82 HG SER 82 6.306 20.831 15.226 624 H MET 83 H MET 83 8.667 20.263 10.556 625 HA MET 83 HA MET 83 6.465 20.201 8.640 626 HB2 MET 83 HB2 MET 83 9.423 19.812 8.445 627 HB3 MET 83 HB3 MET 83 8.386 19.135 7.198 628 HG2 MET 83 HG2 MET 83 7.909 21.958 7.903 629 HG3 MET 83 HG3 MET 83 9.434 21.598 7.097 630 HE1 MET 83 HE1 MET 83 5.932 19.870 6.765 631 HE2 MET 83 HE2 MET 83 5.324 20.517 5.241 632 HE3 MET 83 HE3 MET 83 5.424 21.559 6.666 633 H VAL 84 H VAL 84 5.138 18.670 9.502 634 HA VAL 84 HA VAL 84 6.131 16.019 10.114 635 HB VAL 84 HB VAL 84 3.291 17.058 10.056 636 HG11 VAL 84 HG11 VAL 84 2.766 15.114 11.429 637 HG12 VAL 84 HG12 VAL 84 4.440 14.570 11.308 638 HG13 VAL 84 HG13 VAL 84 3.426 14.631 9.866 639 HG21 VAL 84 HG21 VAL 84 5.187 16.753 12.380 640 HG22 VAL 84 HG22 VAL 84 3.495 17.240 12.483 641 HG23 VAL 84 HG23 VAL 84 4.664 18.276 11.663 642 H TYR 85 H TYR 85 6.632 14.775 8.380 643 HA TYR 85 HA TYR 85 4.859 14.858 6.042 644 HB2 TYR 85 HB2 TYR 85 7.559 13.526 6.360 645 HB3 TYR 85 HB3 TYR 85 6.637 13.651 4.867 646 HD1 TYR 85 HD1 TYR 85 6.044 16.119 4.145 647 HD2 TYR 85 HD2 TYR 85 9.219 15.073 6.774 648 HE1 TYR 85 HE1 TYR 85 7.162 18.246 3.628 649 HE2 TYR 85 HE2 TYR 85 10.352 17.196 6.262 650 HH TYR 85 HH TYR 85 8.837 19.771 4.741 651 H PHE 86 H PHE 86 3.323 13.374 5.921 652 HA PHE 86 HA PHE 86 3.761 10.815 7.315 653 HB2 PHE 86 HB2 PHE 86 1.825 12.290 8.053 654 HB3 PHE 86 HB3 PHE 86 1.094 11.969 6.485 655 HD1 PHE 86 HD1 PHE 86 2.864 9.808 8.959 656 HD2 PHE 86 HD2 PHE 86 -0.686 10.551 6.735 657 HE1 PHE 86 HE1 PHE 86 1.871 7.751 9.868 658 HE2 PHE 86 HE2 PHE 86 -1.682 8.489 7.634 659 HZ PHE 86 HZ PHE 86 -0.403 7.086 9.204 660 H LYS 87 H LYS 87 4.533 9.414 5.886 661 HA LYS 87 HA LYS 87 3.842 9.583 3.084 662 HB2 LYS 87 HB2 LYS 87 5.701 7.841 4.673 663 HB3 LYS 87 HB3 LYS 87 5.294 7.430 3.014 664 HG2 LYS 87 HG2 LYS 87 7.327 8.605 2.927 665 HG3 LYS 87 HG3 LYS 87 6.089 9.728 2.368 666 HD2 LYS 87 HD2 LYS 87 6.038 10.759 4.597 667 HD3 LYS 87 HD3 LYS 87 7.303 9.648 5.130 668 HE2 LYS 87 HE2 LYS 87 7.533 11.696 2.926 669 HE3 LYS 87 HE3 LYS 87 8.241 11.818 4.534 670 HZ1 LYS 87 HZ1 LYS 87 9.545 9.804 4.025 671 HZ2 LYS 87 HZ2 LYS 87 9.904 11.097 2.987 672 HZ3 LYS 87 HZ3 LYS 87 8.930 9.821 2.441 673 H VAL 88 H VAL 88 2.251 8.565 2.131 674 HA VAL 88 HA VAL 88 1.198 6.096 3.309 675 HB VAL 88 HB VAL 88 -1.143 6.943 2.764 676 HG11 VAL 88 HG11 VAL 88 -0.326 6.693 5.035 677 HG12 VAL 88 HG12 VAL 88 -1.343 8.129 4.890 678 HG13 VAL 88 HG13 VAL 88 0.413 8.292 4.956 679 HG21 VAL 88 HG21 VAL 88 -1.463 9.369 2.789 680 HG22 VAL 88 HG22 VAL 88 -0.492 8.871 1.404 681 HG23 VAL 88 HG23 VAL 88 0.286 9.601 2.807 682 H GLY 89 H GLY 89 1.294 4.590 1.815 683 HA2 GLY 89 HA2 GLY 89 1.095 3.505 -0.196 684 HA3 GLY 89 HA3 GLY 89 0.047 4.818 -0.708 685 H ASN 90 H ASN 90 0.877 6.506 -1.909 686 HA ASN 90 HA ASN 90 3.634 6.100 -2.864 687 HB2 ASN 90 HB2 ASN 90 2.972 6.636 -5.092 688 HB3 ASN 90 HB3 ASN 90 1.817 5.446 -4.505 689 HD21 ASN 90 HD21 ASN 90 -0.310 6.103 -4.054 690 HD22 ASN 90 HD22 ASN 90 -0.950 7.592 -4.656 691 H GLU 91 H GLU 91 1.735 8.134 -1.107 692 HA GLU 91 HA GLU 91 3.172 10.506 -2.091 693 HB2 GLU 91 HB2 GLU 91 1.173 11.867 -1.766 694 HB3 GLU 91 HB3 GLU 91 0.872 10.585 -2.931 695 HG2 GLU 91 HG2 GLU 91 -0.276 9.286 -1.215 696 HG3 GLU 91 HG3 GLU 91 0.035 10.563 -0.039 697 H THR 92 H THR 92 2.736 12.370 -0.407 698 HA THR 92 HA THR 92 2.629 11.339 2.308 699 HB THR 92 HB THR 92 5.063 11.500 1.517 700 HG1 THR 92 HG1 THR 92 4.121 11.727 3.793 701 HG21 THR 92 HG21 THR 92 6.087 13.709 1.557 702 HG22 THR 92 HG22 THR 92 4.508 14.449 1.824 703 HG23 THR 92 HG23 THR 92 4.852 13.628 0.299 704 H ARG 93 H ARG 93 1.717 12.760 3.719 705 HA ARG 93 HA ARG 93 0.878 15.352 2.608 706 HB2 ARG 93 HB2 ARG 93 -0.317 14.025 5.039 707 HB3 ARG 93 HB3 ARG 93 -0.992 15.331 4.080 708 HG2 ARG 93 HG2 ARG 93 -0.723 12.446 3.264 709 HG3 ARG 93 HG3 ARG 93 -2.210 13.300 3.668 710 HD2 ARG 93 HD2 ARG 93 -0.402 13.991 1.358 711 HD3 ARG 93 HD3 ARG 93 -1.848 12.993 1.232 712 HE ARG 93 HE ARG 93 -2.400 15.549 2.403 713 HH11 ARG 93 HH11 ARG 93 -1.967 13.806 -0.612 714 HH12 ARG 93 HH12 ARG 93 -2.800 15.002 -1.561 715 HH21 ARG 93 HH21 ARG 93 -3.499 17.130 1.136 716 HH22 ARG 93 HH22 ARG 93 -3.666 16.877 -0.578 717 H LYS 94 H LYS 94 1.597 17.182 3.577 718 HA LYS 94 HA LYS 94 3.325 16.838 5.917 719 HB2 LYS 94 HB2 LYS 94 4.122 19.141 5.391 720 HB3 LYS 94 HB3 LYS 94 4.448 17.988 4.112 721 HG2 LYS 94 HG2 LYS 94 2.575 18.827 2.838 722 HG3 LYS 94 HG3 LYS 94 2.140 19.913 4.157 723 HD2 LYS 94 HD2 LYS 94 3.305 21.389 2.908 724 HD3 LYS 94 HD3 LYS 94 4.664 20.690 3.787 725 HE2 LYS 94 HE2 LYS 94 5.253 19.315 1.959 726 HE3 LYS 94 HE3 LYS 94 3.729 19.641 1.131 727 HZ1 LYS 94 HZ1 LYS 94 5.400 20.946 0.094 728 HZ2 LYS 94 HZ2 LYS 94 5.970 21.529 1.577 729 HZ3 LYS 94 HZ3 LYS 94 4.445 22.009 1.014 730 H TYR 95 H TYR 95 2.889 17.781 7.827 731 HA TYR 95 HA TYR 95 0.382 19.325 8.003 732 HB2 TYR 95 HB2 TYR 95 1.464 17.307 9.983 733 HB3 TYR 95 HB3 TYR 95 -0.005 18.256 10.186 734 HD1 TYR 95 HD1 TYR 95 -2.000 17.748 8.871 735 HD2 TYR 95 HD2 TYR 95 1.525 15.402 8.507 736 HE1 TYR 95 HE1 TYR 95 -3.294 15.988 7.744 737 HE2 TYR 95 HE2 TYR 95 0.245 13.638 7.376 738 HH TYR 95 HH TYR 95 -2.956 14.115 6.259 739 H LYS 96 H LYS 96 0.326 21.052 9.385 740 HA LYS 96 HA LYS 96 2.915 21.874 10.537 741 HB2 LYS 96 HB2 LYS 96 1.213 23.221 8.803 742 HB3 LYS 96 HB3 LYS 96 0.852 23.932 10.373 743 HG2 LYS 96 HG2 LYS 96 2.572 25.194 9.214 744 HG3 LYS 96 HG3 LYS 96 3.217 24.457 10.683 745 HD2 LYS 96 HD2 LYS 96 4.205 22.662 9.360 746 HD3 LYS 96 HD3 LYS 96 3.526 23.361 7.890 747 HE2 LYS 96 HE2 LYS 96 5.530 24.690 9.703 748 HE3 LYS 96 HE3 LYS 96 5.897 23.910 8.166 749 HZ1 LYS 96 HZ1 LYS 96 4.044 26.217 8.455 750 HZ2 LYS 96 HZ2 LYS 96 4.612 25.529 7.011 751 HZ3 LYS 96 HZ3 LYS 96 5.682 26.355 8.034 752 H MET 97 H MET 97 3.059 22.054 12.709 753 HA MET 97 HA MET 97 0.731 21.287 14.249 754 HB2 MET 97 HB2 MET 97 3.612 21.740 15.005 755 HB3 MET 97 HB3 MET 97 2.364 21.361 16.185 756 HG2 MET 97 HG2 MET 97 1.905 19.263 15.055 757 HG3 MET 97 HG3 MET 97 3.115 19.647 13.833 758 HE1 MET 97 HE1 MET 97 4.010 17.139 14.409 759 HE2 MET 97 HE2 MET 97 2.866 16.971 15.744 760 HE3 MET 97 HE3 MET 97 4.587 16.674 16.009 761 H THR 98 H THR 98 -0.553 23.103 13.920 762 HA THR 98 HA THR 98 0.461 25.699 14.743 763 HB THR 98 HB THR 98 -0.725 25.782 12.714 764 HG1 THR 98 HG1 THR 98 -2.011 26.864 14.935 765 HG21 THR 98 HG21 THR 98 -1.899 23.693 12.778 766 HG22 THR 98 HG22 THR 98 -3.072 24.980 12.490 767 HG23 THR 98 HG23 THR 98 -2.930 24.255 14.092 768 H SER 99 H SER 99 -1.073 23.168 16.281 769 HA SER 99 HA SER 99 -1.725 24.927 18.516 770 HB2 SER 99 HB2 SER 99 -3.838 24.443 17.156 771 HB3 SER 99 HB3 SER 99 -3.664 22.773 17.685 772 HG SER 99 HG SER 99 -5.024 24.330 18.979 773 H ILE 100 H ILE 100 -1.020 24.102 20.378 774 HA ILE 100 HA ILE 100 -0.479 21.233 20.609 775 HB ILE 100 HB ILE 100 1.595 23.353 21.223 776 HG12 ILE 100 HG12 ILE 100 1.697 21.209 19.084 777 HG13 ILE 100 HG13 ILE 100 1.280 22.891 18.775 778 HG21 ILE 100 HG21 ILE 100 1.741 20.347 21.438 779 HG22 ILE 100 HG22 ILE 100 1.646 21.483 22.784 780 HG23 ILE 100 HG23 ILE 100 3.069 21.471 21.741 781 HD11 ILE 100 HD11 ILE 100 3.903 21.914 19.880 782 HD12 ILE 100 HD12 ILE 100 3.483 23.591 19.528 783 HD13 ILE 100 HD13 ILE 100 3.601 22.418 18.217 784 H ARG 101 H ARG 101 -1.288 20.541 22.517 785 HA ARG 101 HA ARG 101 -0.534 21.798 24.951 786 HB2 ARG 101 HB2 ARG 101 -2.631 22.555 25.821 787 HB3 ARG 101 HB3 ARG 101 -2.369 23.354 24.281 788 HG2 ARG 101 HG2 ARG 101 -3.971 21.967 23.201 789 HG3 ARG 101 HG3 ARG 101 -4.110 20.928 24.623 790 HD2 ARG 101 HD2 ARG 101 -4.906 23.833 24.433 791 HD3 ARG 101 HD3 ARG 101 -5.996 22.451 24.515 792 HE ARG 101 HE ARG 101 -4.283 22.408 26.746 793 HH11 ARG 101 HH11 ARG 101 -6.985 24.271 25.485 794 HH12 ARG 101 HH12 ARG 101 -7.515 24.776 27.058 795 HH21 ARG 101 HH21 ARG 101 -5.005 23.075 28.798 796 HH22 ARG 101 HH22 ARG 101 -6.388 24.123 28.929 797 H ASP 102 H ASP 102 -2.104 20.798 26.819 798 HA ASP 102 HA ASP 102 -2.671 18.015 26.077 799 HB2 ASP 102 HB2 ASP 102 -1.804 17.307 28.332 800 HB3 ASP 102 HB3 ASP 102 -0.575 17.851 27.201 801 H VAL 103 H VAL 103 -4.422 17.087 27.016 802 HA VAL 103 HA VAL 103 -6.042 18.676 28.874 803 HB VAL 103 HB VAL 103 -8.064 18.273 27.405 804 HG11 VAL 103 HG11 VAL 103 -7.653 20.198 25.962 805 HG12 VAL 103 HG12 VAL 103 -5.923 20.070 26.275 806 HG13 VAL 103 HG13 VAL 103 -7.028 20.479 27.587 807 HG21 VAL 103 HG21 VAL 103 -5.919 17.626 25.387 808 HG22 VAL 103 HG22 VAL 103 -7.599 17.977 24.976 809 HG23 VAL 103 HG23 VAL 103 -7.207 16.562 25.954 810 H LYS 104 H LYS 104 -8.219 17.345 29.223 811 HA LYS 104 HA LYS 104 -7.435 14.595 29.809 812 HB2 LYS 104 HB2 LYS 104 -9.893 16.173 30.592 813 HB3 LYS 104 HB3 LYS 104 -9.602 14.504 31.050 814 HG2 LYS 104 HG2 LYS 104 -8.936 15.627 32.930 815 HG3 LYS 104 HG3 LYS 104 -7.405 15.448 32.076 816 HD2 LYS 104 HD2 LYS 104 -7.645 17.705 32.961 817 HD3 LYS 104 HD3 LYS 104 -7.642 17.727 31.197 818 HE2 LYS 104 HE2 LYS 104 -10.058 17.920 31.164 819 HE3 LYS 104 HE3 LYS 104 -10.116 17.791 32.922 820 HZ1 LYS 104 HZ1 LYS 104 -10.313 20.083 32.096 821 HZ2 LYS 104 HZ2 LYS 104 -8.749 19.974 31.445 822 HZ3 LYS 104 HZ3 LYS 104 -8.980 19.870 33.123 823 HA PRO 105 HA PRO 105 -9.723 12.901 26.423 824 HB2 PRO 105 HB2 PRO 105 -10.538 10.530 27.429 825 HB3 PRO 105 HB3 PRO 105 -8.846 10.855 27.035 826 HG2 PRO 105 HG2 PRO 105 -10.224 10.954 29.695 827 HG3 PRO 105 HG3 PRO 105 -8.653 10.240 29.276 828 HD2 PRO 105 HD2 PRO 105 -8.874 12.675 30.436 829 HD3 PRO 105 HD3 PRO 105 -7.577 12.282 29.291 830 H THR 106 H THR 106 -11.177 13.428 29.476 831 HA THR 106 HA THR 106 -13.879 13.100 28.380 832 HB THR 106 HB THR 106 -13.344 11.805 30.427 833 HG1 THR 106 HG1 THR 106 -15.363 13.726 30.306 834 HG21 THR 106 HG21 THR 106 -11.741 13.337 31.447 835 HG22 THR 106 HG22 THR 106 -13.052 12.960 32.566 836 HG23 THR 106 HG23 THR 106 -13.029 14.511 31.727 837 H ASP 107 H ASP 107 -11.821 15.383 28.209 838 HA ASP 107 HA ASP 107 -12.917 17.576 29.668 839 HB2 ASP 107 HB2 ASP 107 -10.525 17.226 28.618 840 HB3 ASP 107 HB3 ASP 107 -11.271 17.910 27.181 841 H VAL 108 H VAL 108 -13.764 19.514 28.507 842 HA VAL 108 HA VAL 108 -15.922 18.603 26.776 843 HB VAL 108 HB VAL 108 -16.913 20.833 27.191 844 HG11 VAL 108 HG11 VAL 108 -16.045 19.319 29.652 845 HG12 VAL 108 HG12 VAL 108 -17.476 19.005 28.670 846 HG13 VAL 108 HG13 VAL 108 -17.355 20.500 29.600 847 HG21 VAL 108 HG21 VAL 108 -15.876 22.296 28.899 848 HG22 VAL 108 HG22 VAL 108 -14.890 22.144 27.445 849 HG23 VAL 108 HG23 VAL 108 -14.458 21.247 28.902 850 H GLU 109 H GLU 109 -12.892 19.882 26.518 851 HA GLU 109 HA GLU 109 -13.220 21.662 24.341 852 HB2 GLU 109 HB2 GLU 109 -10.786 20.121 25.252 853 HB3 GLU 109 HB3 GLU 109 -10.769 21.438 24.086 854 HG2 GLU 109 HG2 GLU 109 -11.577 21.634 26.978 855 HG3 GLU 109 HG3 GLU 109 -10.065 22.206 26.274 856 H VAL 110 H VAL 110 -12.871 18.222 24.656 857 HA VAL 110 HA VAL 110 -12.492 17.889 21.774 858 HB VAL 110 HB VAL 110 -12.125 15.511 22.257 859 HG11 VAL 110 HG11 VAL 110 -10.223 17.029 22.290 860 HG12 VAL 110 HG12 VAL 110 -10.011 15.732 23.466 861 HG13 VAL 110 HG13 VAL 110 -10.487 17.343 24.006 862 HG21 VAL 110 HG21 VAL 110 -13.592 15.245 24.169 863 HG22 VAL 110 HG22 VAL 110 -12.560 16.296 25.137 864 HG23 VAL 110 HG23 VAL 110 -11.958 14.733 24.586 865 H LEU 111 H LEU 111 -14.979 18.073 23.985 866 HA LEU 111 HA LEU 111 -16.710 16.138 22.664 867 HB2 LEU 111 HB2 LEU 111 -17.183 17.983 25.007 868 HB3 LEU 111 HB3 LEU 111 -18.368 16.853 24.383 869 HG LEU 111 HG LEU 111 -15.707 16.113 25.602 870 HD11 LEU 111 HD11 LEU 111 -17.078 15.200 27.423 871 HD12 LEU 111 HD12 LEU 111 -18.518 15.876 26.660 872 HD13 LEU 111 HD13 LEU 111 -17.253 16.948 27.260 873 HD21 LEU 111 HD21 LEU 111 -16.536 13.817 25.487 874 HD22 LEU 111 HD22 LEU 111 -16.385 14.529 23.881 875 HD23 LEU 111 HD23 LEU 111 -17.973 14.376 24.631 876 H ASP 112 H ASP 112 -15.678 18.926 21.699 877 HA ASP 112 HA ASP 112 -18.234 20.217 21.119 878 HB2 ASP 112 HB2 ASP 112 -15.921 21.342 21.861 879 HB3 ASP 112 HB3 ASP 112 -15.660 21.327 20.118 880 H GLU 113 H GLU 113 -17.918 21.369 18.740 881 HA GLU 113 HA GLU 113 -17.772 19.059 16.930 882 HB2 GLU 113 HB2 GLU 113 -19.132 20.645 15.414 883 HB3 GLU 113 HB3 GLU 113 -19.932 19.892 16.786 884 HG2 GLU 113 HG2 GLU 113 -19.637 21.943 18.080 885 HG3 GLU 113 HG3 GLU 113 -18.846 22.696 16.697 886 H GLN 114 H GLN 114 -16.388 18.985 15.310 887 HA GLN 114 HA GLN 114 -14.371 21.024 15.095 888 HB2 GLN 114 HB2 GLN 114 -14.745 18.401 13.637 889 HB3 GLN 114 HB3 GLN 114 -13.329 19.433 13.493 890 HG2 GLN 114 HG2 GLN 114 -12.819 17.656 14.989 891 HG3 GLN 114 HG3 GLN 114 -12.931 19.138 15.927 892 HE21 GLN 114 HE21 GLN 114 -13.411 18.194 17.867 893 HE22 GLN 114 HE22 GLN 114 -14.883 17.344 18.182 894 H LYS 115 H LYS 115 -14.404 22.652 13.742 895 HA LYS 115 HA LYS 115 -16.538 22.867 11.810 896 HB2 LYS 115 HB2 LYS 115 -14.417 24.849 12.649 897 HB3 LYS 115 HB3 LYS 115 -15.777 25.213 11.598 898 HG2 LYS 115 HG2 LYS 115 -16.003 24.302 14.457 899 HG3 LYS 115 HG3 LYS 115 -16.146 25.971 13.898 900 HD2 LYS 115 HD2 LYS 115 -18.103 25.428 12.614 901 HD3 LYS 115 HD3 LYS 115 -17.908 23.709 12.958 902 HE2 LYS 115 HE2 LYS 115 -19.643 24.606 14.355 903 HE3 LYS 115 HE3 LYS 115 -18.252 24.187 15.351 904 HZ1 LYS 115 HZ1 LYS 115 -17.615 26.555 15.308 905 HZ2 LYS 115 HZ2 LYS 115 -19.121 26.285 16.038 906 HZ3 LYS 115 HZ3 LYS 115 -19.047 26.907 14.465 907 H GLY 116 H GLY 116 -15.005 24.759 10.122 908 HA2 GLY 116 HA2 GLY 116 -14.387 22.884 8.081 909 HA3 GLY 116 HA3 GLY 116 -14.219 24.628 7.980 910 H LYS 117 H LYS 117 -12.680 22.135 9.982 911 HA LYS 117 HA LYS 117 -10.033 23.144 9.347 912 HB2 LYS 117 HB2 LYS 117 -11.140 20.981 11.096 913 HB3 LYS 117 HB3 LYS 117 -9.445 20.914 10.631 914 HG2 LYS 117 HG2 LYS 117 -10.598 23.405 11.810 915 HG3 LYS 117 HG3 LYS 117 -10.095 22.063 12.837 916 HD2 LYS 117 HD2 LYS 117 -7.850 22.159 11.905 917 HD3 LYS 117 HD3 LYS 117 -8.345 23.442 10.800 918 HE2 LYS 117 HE2 LYS 117 -8.545 23.710 13.787 919 HE3 LYS 117 HE3 LYS 117 -7.088 24.143 12.893 920 HZ1 LYS 117 HZ1 LYS 117 -8.232 25.824 11.737 921 HZ2 LYS 117 HZ2 LYS 117 -8.690 25.999 13.363 922 HZ3 LYS 117 HZ3 LYS 117 -9.753 25.276 12.256 923 H ASP 118 H ASP 118 -8.472 22.081 8.120 924 HA ASP 118 HA ASP 118 -9.516 20.223 6.129 925 HB2 ASP 118 HB2 ASP 118 -7.890 22.219 5.700 926 HB3 ASP 118 HB3 ASP 118 -6.645 21.123 6.296 927 H LYS 119 H LYS 119 -6.960 18.827 5.735 928 HA LYS 119 HA LYS 119 -7.490 16.669 7.513 929 HB2 LYS 119 HB2 LYS 119 -5.502 17.193 5.361 930 HB3 LYS 119 HB3 LYS 119 -5.121 15.932 6.526 931 HG2 LYS 119 HG2 LYS 119 -6.193 14.970 4.597 932 HG3 LYS 119 HG3 LYS 119 -7.250 14.825 5.999 933 HD2 LYS 119 HD2 LYS 119 -8.798 15.605 4.554 934 HD3 LYS 119 HD3 LYS 119 -8.118 17.168 5.013 935 HE2 LYS 119 HE2 LYS 119 -7.297 15.529 2.614 936 HE3 LYS 119 HE3 LYS 119 -8.369 16.925 2.576 937 HZ1 LYS 119 HZ1 LYS 119 -6.531 18.293 3.403 938 HZ2 LYS 119 HZ2 LYS 119 -6.147 17.544 1.931 939 HZ3 LYS 119 HZ3 LYS 119 -5.505 16.940 3.374 940 H GLN 120 H GLN 120 -7.136 16.960 9.608 941 HA GLN 120 HA GLN 120 -4.569 18.107 10.442 942 HB2 GLN 120 HB2 GLN 120 -5.726 18.173 12.733 943 HB3 GLN 120 HB3 GLN 120 -6.257 19.321 11.513 944 HG2 GLN 120 HG2 GLN 120 -8.199 17.988 11.035 945 HG3 GLN 120 HG3 GLN 120 -7.642 16.721 12.127 946 HE21 GLN 120 HE21 GLN 120 -6.719 18.503 14.168 947 HE22 GLN 120 HE22 GLN 120 -8.120 19.167 14.926 948 H LEU 121 H LEU 121 -3.137 16.974 11.576 949 HA LEU 121 HA LEU 121 -3.731 14.130 11.988 950 HB2 LEU 121 HB2 LEU 121 -1.770 14.801 10.553 951 HB3 LEU 121 HB3 LEU 121 -1.041 15.508 11.983 952 HG LEU 121 HG LEU 121 -1.013 13.280 13.053 953 HD11 LEU 121 HD11 LEU 121 -2.915 12.315 11.841 954 HD12 LEU 121 HD12 LEU 121 -1.480 11.297 11.731 955 HD13 LEU 121 HD13 LEU 121 -1.957 12.301 10.362 956 HD21 LEU 121 HD21 LEU 121 0.317 13.432 10.352 957 HD22 LEU 121 HD22 LEU 121 0.764 12.329 11.651 958 HD23 LEU 121 HD23 LEU 121 0.953 14.068 11.868 959 H THR 122 H THR 122 -4.487 13.827 13.954 960 HA THR 122 HA THR 122 -3.692 15.535 16.151 961 HB THR 122 HB THR 122 -5.577 13.169 16.123 962 HG1 THR 122 HG1 THR 122 -7.016 14.509 15.347 963 HG21 THR 122 HG21 THR 122 -4.763 13.735 18.360 964 HG22 THR 122 HG22 THR 122 -6.471 14.144 18.184 965 HG23 THR 122 HG23 THR 122 -5.247 15.413 18.115 966 H LEU 123 H LEU 123 -1.635 15.070 16.788 967 HA LEU 123 HA LEU 123 -0.833 12.320 17.223 968 HB2 LEU 123 HB2 LEU 123 0.614 14.849 18.029 969 HB3 LEU 123 HB3 LEU 123 1.277 13.230 18.031 970 HG LEU 123 HG LEU 123 0.755 15.056 15.718 971 HD11 LEU 123 HD11 LEU 123 2.950 15.024 16.728 972 HD12 LEU 123 HD12 LEU 123 3.003 14.341 15.102 973 HD13 LEU 123 HD13 LEU 123 3.048 13.278 16.508 974 HD21 LEU 123 HD21 LEU 123 1.062 12.058 15.495 975 HD22 LEU 123 HD22 LEU 123 1.011 13.211 14.159 976 HD23 LEU 123 HD23 LEU 123 -0.417 12.959 15.163 977 H ILE 124 H ILE 124 -1.982 11.401 18.850 978 HA ILE 124 HA ILE 124 -2.432 12.912 21.306 979 HB ILE 124 HB ILE 124 -3.300 10.070 20.779 980 HG12 ILE 124 HG12 ILE 124 -4.908 12.575 20.222 981 HG13 ILE 124 HG13 ILE 124 -4.102 11.628 18.973 982 HG21 ILE 124 HG21 ILE 124 -3.406 10.825 23.093 983 HG22 ILE 124 HG22 ILE 124 -5.031 10.627 22.437 984 HG23 ILE 124 HG23 ILE 124 -4.338 12.241 22.603 985 HD11 ILE 124 HD11 ILE 124 -6.274 10.639 20.804 986 HD12 ILE 124 HD12 ILE 124 -5.468 9.697 19.551 987 HD13 ILE 124 HD13 ILE 124 -6.463 11.085 19.108 988 H THR 125 H THR 125 -0.552 12.998 22.389 989 HA THR 125 HA THR 125 0.906 10.474 22.826 990 HB THR 125 HB THR 125 1.918 13.284 23.302 991 HG1 THR 125 HG1 THR 125 1.336 12.425 21.008 992 HG21 THR 125 HG21 THR 125 3.103 11.487 24.508 993 HG22 THR 125 HG22 THR 125 4.119 12.234 23.277 994 HG23 THR 125 HG23 THR 125 3.384 10.659 22.974 995 H CYS 126 H CYS 126 0.641 9.570 24.800 996 HA CYS 126 HA CYS 126 -0.661 11.039 26.870 997 HB2 CYS 126 HB2 CYS 126 0.590 8.286 26.877 998 HB3 CYS 126 HB3 CYS 126 -0.289 8.973 28.243 999 H ASP 127 H ASP 127 0.451 12.725 27.534 1000 HA ASP 127 HA ASP 127 3.201 12.356 28.513 1001 HB2 ASP 127 HB2 ASP 127 3.232 13.991 26.797 1002 HB3 ASP 127 HB3 ASP 127 1.753 14.747 27.373 1003 H ASP 128 H ASP 128 2.942 11.805 30.591 1004 HA ASP 128 HA ASP 128 2.203 13.655 32.551 1005 HB2 ASP 128 HB2 ASP 128 -0.088 13.295 31.753 1006 HB3 ASP 128 HB3 ASP 128 0.095 11.558 31.967 1007 H TYR 129 H TYR 129 1.217 10.291 32.561 1008 HA TYR 129 HA TYR 129 1.817 8.492 33.766 1009 HB2 TYR 129 HB2 TYR 129 3.874 8.711 32.350 1010 HB3 TYR 129 HB3 TYR 129 4.625 9.615 33.659 1011 HD1 TYR 129 HD1 TYR 129 2.538 7.152 35.054 1012 HD2 TYR 129 HD2 TYR 129 6.318 7.646 33.175 1013 HE1 TYR 129 HE1 TYR 129 3.307 5.059 36.073 1014 HE2 TYR 129 HE2 TYR 129 7.100 5.546 34.183 1015 HH TYR 129 HH TYR 129 6.518 4.167 36.228 1016 H ASN 130 H ASN 130 0.560 9.469 35.472 1017 HA ASN 130 HA ASN 130 1.989 10.593 37.721 1018 HB2 ASN 130 HB2 ASN 130 -0.378 11.222 37.124 1019 HB3 ASN 130 HB3 ASN 130 -0.873 9.595 37.577 1020 HD21 ASN 130 HD21 ASN 130 -1.617 12.228 38.652 1021 HD22 ASN 130 HD22 ASN 130 -1.253 12.149 40.347 1022 H GLU 131 H GLU 131 3.483 8.960 38.130 1023 HA GLU 131 HA GLU 131 2.991 6.256 38.477 1024 HB2 GLU 131 HB2 GLU 131 5.073 7.924 39.883 1025 HB3 GLU 131 HB3 GLU 131 5.113 6.180 39.676 1026 HG2 GLU 131 HG2 GLU 131 5.063 6.653 37.171 1027 HG3 GLU 131 HG3 GLU 131 5.442 8.319 37.604 1028 H LYS 132 H LYS 132 2.231 8.857 40.633 1029 HA LYS 132 HA LYS 132 2.363 7.461 43.069 1030 HB2 LYS 132 HB2 LYS 132 1.203 10.000 42.110 1031 HB3 LYS 132 HB3 LYS 132 0.502 9.331 43.572 1032 HG2 LYS 132 HG2 LYS 132 3.438 9.846 43.168 1033 HG3 LYS 132 HG3 LYS 132 2.329 10.934 44.007 1034 HD2 LYS 132 HD2 LYS 132 1.889 9.278 45.692 1035 HD3 LYS 132 HD3 LYS 132 2.810 8.064 44.803 1036 HE2 LYS 132 HE2 LYS 132 4.857 9.282 45.173 1037 HE3 LYS 132 HE3 LYS 132 3.972 10.611 45.921 1038 HZ1 LYS 132 HZ1 LYS 132 3.953 7.850 47.005 1039 HZ2 LYS 132 HZ2 LYS 132 3.418 9.269 47.765 1040 HZ3 LYS 132 HZ3 LYS 132 5.073 9.024 47.493 1041 H THR 133 H THR 133 -0.057 7.574 40.576 1042 HA THR 133 HA THR 133 -1.680 5.742 42.205 1043 HB THR 133 HB THR 133 -2.955 7.752 41.941 1044 HG1 THR 133 HG1 THR 133 -3.710 5.433 40.642 1045 HG21 THR 133 HG21 THR 133 -3.518 8.666 39.734 1046 HG22 THR 133 HG22 THR 133 -2.448 7.482 38.984 1047 HG23 THR 133 HG23 THR 133 -1.784 8.719 40.051 1048 H GLY 134 H GLY 134 0.058 6.271 39.325 1049 HA2 GLY 134 HA2 GLY 134 0.759 4.644 37.827 1050 HA3 GLY 134 HA3 GLY 134 -0.395 3.527 38.540 1051 H VAL 135 H VAL 135 -0.794 6.719 37.006 1052 HA VAL 135 HA VAL 135 -2.299 5.476 34.843 1053 HB VAL 135 HB VAL 135 -3.866 6.077 36.804 1054 HG11 VAL 135 HG11 VAL 135 -2.919 8.254 37.319 1055 HG12 VAL 135 HG12 VAL 135 -4.628 8.383 36.904 1056 HG13 VAL 135 HG13 VAL 135 -3.396 8.847 35.730 1057 HG21 VAL 135 HG21 VAL 135 -4.672 5.514 34.578 1058 HG22 VAL 135 HG22 VAL 135 -4.434 7.181 34.056 1059 HG23 VAL 135 HG23 VAL 135 -5.641 6.806 35.285 1060 H TRP 136 H TRP 136 -2.668 6.939 33.061 1061 HA TRP 136 HA TRP 136 -0.821 9.223 33.038 1062 HB2 TRP 136 HB2 TRP 136 -2.077 7.728 30.715 1063 HB3 TRP 136 HB3 TRP 136 -0.933 9.058 30.577 1064 HD1 TRP 136 HD1 TRP 136 -1.026 5.445 32.002 1065 HE1 TRP 136 HE1 TRP 136 1.323 4.427 31.731 1066 HE3 TRP 136 HE3 TRP 136 1.410 9.517 30.095 1067 HZ2 TRP 136 HZ2 TRP 136 3.868 5.243 30.832 1068 HZ3 TRP 136 HZ3 TRP 136 3.803 9.312 29.555 1069 HH2 TRP 136 HH2 TRP 136 5.005 7.219 29.915 1070 H GLU 137 H GLU 137 -1.987 10.933 33.782 1071 HA GLU 137 HA GLU 137 -4.820 11.080 33.421 1072 HB2 GLU 137 HB2 GLU 137 -2.894 13.168 34.455 1073 HB3 GLU 137 HB3 GLU 137 -4.645 13.247 34.580 1074 HG2 GLU 137 HG2 GLU 137 -4.568 11.139 35.915 1075 HG3 GLU 137 HG3 GLU 137 -2.811 11.265 35.901 1076 H LYS 138 H LYS 138 -2.168 13.165 32.250 1077 HA LYS 138 HA LYS 138 -4.069 14.671 30.675 1078 HB2 LYS 138 HB2 LYS 138 -1.080 15.019 30.900 1079 HB3 LYS 138 HB3 LYS 138 -2.213 16.162 30.190 1080 HG2 LYS 138 HG2 LYS 138 -3.300 16.383 32.403 1081 HG3 LYS 138 HG3 LYS 138 -2.049 15.340 33.081 1082 HD2 LYS 138 HD2 LYS 138 -1.678 18.044 31.797 1083 HD3 LYS 138 HD3 LYS 138 -1.450 17.629 33.498 1084 HE2 LYS 138 HE2 LYS 138 0.407 16.166 32.903 1085 HE3 LYS 138 HE3 LYS 138 0.165 16.535 31.195 1086 HZ1 LYS 138 HZ1 LYS 138 0.600 18.906 31.781 1087 HZ2 LYS 138 HZ2 LYS 138 1.931 17.876 31.973 1088 HZ3 LYS 138 HZ3 LYS 138 1.057 18.392 33.331 1089 H ARG 139 H ARG 139 -4.351 14.639 28.564 1090 HA ARG 139 HA ARG 139 -2.706 12.850 26.915 1091 HB2 ARG 139 HB2 ARG 139 -5.452 14.002 26.656 1092 HB3 ARG 139 HB3 ARG 139 -4.566 13.638 25.187 1093 HG2 ARG 139 HG2 ARG 139 -5.960 11.791 25.653 1094 HG3 ARG 139 HG3 ARG 139 -4.310 11.297 26.024 1095 HD2 ARG 139 HD2 ARG 139 -4.688 11.353 28.325 1096 HD3 ARG 139 HD3 ARG 139 -6.126 12.361 28.157 1097 HE ARG 139 HE ARG 139 -7.091 10.298 27.005 1098 HH11 ARG 139 HH11 ARG 139 -4.772 10.155 29.617 1099 HH12 ARG 139 HH12 ARG 139 -5.316 8.609 30.177 1100 HH21 ARG 139 HH21 ARG 139 -7.831 8.280 27.755 1101 HH22 ARG 139 HH22 ARG 139 -7.013 7.517 29.096 1102 H LYS 140 H LYS 140 -0.983 13.856 26.062 1103 HA LYS 140 HA LYS 140 -0.998 16.676 25.457 1104 HB2 LYS 140 HB2 LYS 140 1.066 15.624 26.224 1105 HB3 LYS 140 HB3 LYS 140 1.018 14.490 24.884 1106 HG2 LYS 140 HG2 LYS 140 2.247 15.881 23.691 1107 HG3 LYS 140 HG3 LYS 140 0.955 17.082 23.773 1108 HD2 LYS 140 HD2 LYS 140 3.012 16.710 25.942 1109 HD3 LYS 140 HD3 LYS 140 3.203 17.854 24.611 1110 HE2 LYS 140 HE2 LYS 140 1.540 19.225 25.368 1111 HE3 LYS 140 HE3 LYS 140 0.684 17.922 26.180 1112 HZ1 LYS 140 HZ1 LYS 140 3.172 19.262 27.091 1113 HZ2 LYS 140 HZ2 LYS 140 2.506 17.893 27.841 1114 HZ3 LYS 140 HZ3 LYS 140 1.635 19.355 27.814 1115 H ILE 141 H ILE 141 -1.807 17.489 23.656 1116 HA ILE 141 HA ILE 141 -2.079 15.682 21.357 1117 HB ILE 141 HB ILE 141 -4.223 16.058 22.464 1118 HG12 ILE 141 HG12 ILE 141 -3.970 17.375 19.757 1119 HG13 ILE 141 HG13 ILE 141 -4.227 15.659 20.073 1120 HG21 ILE 141 HG21 ILE 141 -5.280 18.279 22.414 1121 HG22 ILE 141 HG22 ILE 141 -3.757 18.956 21.832 1122 HG23 ILE 141 HG23 ILE 141 -3.842 18.228 23.435 1123 HD11 ILE 141 HD11 ILE 141 -6.278 16.756 19.369 1124 HD12 ILE 141 HD12 ILE 141 -6.157 17.876 20.725 1125 HD13 ILE 141 HD13 ILE 141 -6.413 16.157 21.023 1126 H PHE 142 H PHE 142 -1.072 16.303 19.652 1127 HA PHE 142 HA PHE 142 -0.443 19.150 19.260 1128 HB2 PHE 142 HB2 PHE 142 0.869 16.620 18.250 1129 HB3 PHE 142 HB3 PHE 142 1.179 18.177 17.501 1130 HD1 PHE 142 HD1 PHE 142 1.131 16.741 20.971 1131 HD2 PHE 142 HD2 PHE 142 3.098 19.201 18.111 1132 HE1 PHE 142 HE1 PHE 142 2.958 17.137 22.566 1133 HE2 PHE 142 HE2 PHE 142 4.920 19.611 19.707 1134 HZ PHE 142 HZ PHE 142 4.857 18.575 21.939 1135 H VAL 143 H VAL 143 -1.832 20.117 17.888 1136 HA VAL 143 HA VAL 143 -3.230 18.490 15.894 1137 HB VAL 143 HB VAL 143 -3.657 21.406 16.541 1138 HG11 VAL 143 HG11 VAL 143 -5.345 19.428 15.019 1139 HG12 VAL 143 HG12 VAL 143 -4.441 20.775 14.330 1140 HG13 VAL 143 HG13 VAL 143 -5.809 21.085 15.400 1141 HG21 VAL 143 HG21 VAL 143 -5.631 20.656 17.817 1142 HG22 VAL 143 HG22 VAL 143 -4.121 20.071 18.516 1143 HG23 VAL 143 HG23 VAL 143 -5.134 18.983 17.567 1144 H ALA 144 H ALA 144 -1.871 18.143 14.266 1145 HA ALA 144 HA ALA 144 -0.554 20.454 13.033 1146 HB1 ALA 144 HB1 ALA 144 0.919 18.618 13.588 1147 HB2 ALA 144 HB2 ALA 144 0.808 18.801 11.839 1148 HB3 ALA 144 HB3 ALA 144 -0.073 17.503 12.649 1149 H THR 145 H THR 145 -1.756 21.385 11.500 1150 HA THR 145 HA THR 145 -3.714 19.777 10.042 1151 HB THR 145 HB THR 145 -3.338 22.765 9.849 1152 HG1 THR 145 HG1 THR 145 -4.061 21.323 11.999 1153 HG21 THR 145 HG21 THR 145 -5.724 20.951 9.438 1154 HG22 THR 145 HG22 THR 145 -4.781 21.726 8.163 1155 HG23 THR 145 HG23 THR 145 -5.728 22.710 9.278 1156 H GLU 146 H GLU 146 -3.729 19.578 7.822 1157 HA GLU 146 HA GLU 146 -1.314 19.263 6.519 1158 HB2 GLU 146 HB2 GLU 146 -3.449 18.197 5.855 1159 HB3 GLU 146 HB3 GLU 146 -4.012 19.744 5.241 1160 HG2 GLU 146 HG2 GLU 146 -2.277 19.762 3.573 1161 HG3 GLU 146 HG3 GLU 146 -1.587 18.280 4.230 1162 H VAL 147 H VAL 147 0.067 20.570 5.631 1163 HA VAL 147 HA VAL 147 -0.719 23.342 5.037 1164 HB VAL 147 HB VAL 147 0.891 23.208 6.847 1165 HG11 VAL 147 HG11 VAL 147 2.597 21.646 4.928 1166 HG12 VAL 147 HG12 VAL 147 1.840 21.047 6.402 1167 HG13 VAL 147 HG13 VAL 147 3.129 22.245 6.498 1168 HG21 VAL 147 HG21 VAL 147 2.745 24.540 5.938 1169 HG22 VAL 147 HG22 VAL 147 1.170 25.100 5.368 1170 HG23 VAL 147 HG23 VAL 147 2.204 24.147 4.303 1171 H LYS 148 H LYS 148 0.134 24.300 3.081 1172 HA LYS 148 HA LYS 148 0.708 22.305 1.021 1173 HB2 LYS 148 HB2 LYS 148 0.261 24.312 -0.500 1174 HB3 LYS 148 HB3 LYS 148 -1.101 23.645 0.393 1175 HG2 LYS 148 HG2 LYS 148 -1.194 25.435 1.853 1176 HG3 LYS 148 HG3 LYS 148 0.471 25.920 1.523 1177 HD2 LYS 148 HD2 LYS 148 -1.862 26.143 -0.364 1178 HD3 LYS 148 HD3 LYS 148 -1.083 27.469 0.501 1179 HE2 LYS 148 HE2 LYS 148 0.178 25.691 -1.582 1180 HE3 LYS 148 HE3 LYS 148 -0.277 27.385 -1.789 1181 HZ1 LYS 148 HZ1 LYS 148 1.315 27.890 0.055 1182 HZ2 LYS 148 HZ2 LYS 148 2.043 27.317 -1.366 1183 HZ3 LYS 148 HZ3 LYS 148 1.851 26.280 -0.034 1184 H1 JPT 201 H7 UNK 201 -1.764 7.092 28.428 1185 H11 JPT 201 H11 UNK 201 -0.986 4.639 28.690 1186 H12 JPT 201 H12 UNK 201 -0.284 4.042 24.141 1187 H13 JPT 201 H13 UNK 201 -1.423 6.315 24.713 1188 H62 JPT 201 H62 UNK 201 -6.596 5.020 24.914 1189 H61 JPT 201 H61 UNK 201 -5.170 5.743 24.140 1190 H3 JPT 201 H3 UNK 201 -5.117 3.399 24.060 1191 H4 JPT 201 H4 UNK 201 -4.303 6.590 30.472 1192 H2 JPT 201 H2 UNK 201 -6.936 5.093 27.242 Start of MODEL 15 1 HA MET 1 HA MET 1 -4.776 0.323 -2.793 2 HB2 MET 1 HB2 MET 1 -1.847 -0.438 -2.914 3 HB3 MET 1 HB3 MET 1 -2.758 -0.172 -1.435 4 HG2 MET 1 HG2 MET 1 -4.234 -2.036 -2.017 5 HG3 MET 1 HG3 MET 1 -3.301 -2.303 -3.487 6 HE1 MET 1 HE1 MET 1 -2.287 -5.391 -1.321 7 HE2 MET 1 HE2 MET 1 -2.854 -4.847 -2.901 8 HE3 MET 1 HE3 MET 1 -3.871 -4.637 -1.473 9 H GLN 2 H GLN 2 -3.043 2.053 -5.041 10 HA GLN 2 HA GLN 2 -2.221 4.122 -3.142 11 HB2 GLN 2 HB2 GLN 2 -1.721 3.883 -6.118 12 HB3 GLN 2 HB3 GLN 2 -1.134 5.189 -5.101 13 HG2 GLN 2 HG2 GLN 2 0.707 3.838 -5.229 14 HG3 GLN 2 HG3 GLN 2 -0.033 3.279 -3.731 15 HE21 GLN 2 HE21 GLN 2 0.647 2.539 -7.043 16 HE22 GLN 2 HE22 GLN 2 0.283 0.852 -6.959 17 H ALA 3 H ALA 3 -2.611 6.426 -4.008 18 HA ALA 3 HA ALA 3 -4.099 8.113 -4.224 19 HB1 ALA 3 HB1 ALA 3 -4.424 7.306 -6.519 20 HB2 ALA 3 HB2 ALA 3 -5.910 7.960 -5.829 21 HB3 ALA 3 HB3 ALA 3 -5.689 6.215 -5.946 22 H LYS 4 H LYS 4 -4.860 8.458 -2.265 23 HA LYS 4 HA LYS 4 -5.919 8.229 -0.297 24 HB2 LYS 4 HB2 LYS 4 -7.890 8.104 -2.351 25 HB3 LYS 4 HB3 LYS 4 -8.390 7.071 -1.013 26 HG2 LYS 4 HG2 LYS 4 -7.917 9.026 0.505 27 HG3 LYS 4 HG3 LYS 4 -7.743 10.002 -0.953 28 HD2 LYS 4 HD2 LYS 4 -10.024 9.469 -1.607 29 HD3 LYS 4 HD3 LYS 4 -10.200 8.421 -0.198 30 HE2 LYS 4 HE2 LYS 4 -9.788 10.386 1.253 31 HE3 LYS 4 HE3 LYS 4 -9.751 11.401 -0.188 32 HZ1 LYS 4 HZ1 LYS 4 -12.060 9.844 0.844 33 HZ2 LYS 4 HZ2 LYS 4 -12.044 10.635 -0.656 34 HZ3 LYS 4 HZ3 LYS 4 -11.906 11.532 0.775 35 HA PRO 5 HA PRO 5 -4.928 3.795 0.167 36 HB2 PRO 5 HB2 PRO 5 -3.609 4.706 2.611 37 HB3 PRO 5 HB3 PRO 5 -2.925 3.849 1.228 38 HG2 PRO 5 HG2 PRO 5 -2.346 6.433 1.774 39 HG3 PRO 5 HG3 PRO 5 -2.386 5.792 0.122 40 HD2 PRO 5 HD2 PRO 5 -4.439 7.402 1.589 41 HD3 PRO 5 HD3 PRO 5 -3.907 7.525 -0.103 42 H GLN 6 H GLN 6 -5.381 2.348 2.009 43 HA GLN 6 HA GLN 6 -7.410 3.385 3.838 44 HB2 GLN 6 HB2 GLN 6 -8.836 1.351 3.152 45 HB3 GLN 6 HB3 GLN 6 -8.812 2.743 2.074 46 HG2 GLN 6 HG2 GLN 6 -6.920 1.509 0.857 47 HG3 GLN 6 HG3 GLN 6 -7.471 0.089 1.744 48 HE21 GLN 6 HE21 GLN 6 -8.281 2.462 -0.667 49 HE22 GLN 6 HE22 GLN 6 -9.599 1.585 -1.372 50 H ILE 7 H ILE 7 -7.271 2.559 5.754 51 HA ILE 7 HA ILE 7 -5.249 0.781 6.544 52 HB ILE 7 HB ILE 7 -7.721 1.744 7.986 53 HG12 ILE 7 HG12 ILE 7 -4.965 2.582 8.704 54 HG13 ILE 7 HG13 ILE 7 -5.615 3.198 7.186 55 HG21 ILE 7 HG21 ILE 7 -5.339 0.282 9.115 56 HG22 ILE 7 HG22 ILE 7 -6.977 -0.356 8.978 57 HG23 ILE 7 HG23 ILE 7 -6.646 1.001 10.055 58 HD11 ILE 7 HD11 ILE 7 -5.992 4.744 9.012 59 HD12 ILE 7 HD12 ILE 7 -6.884 3.503 9.896 60 HD13 ILE 7 HD13 ILE 7 -7.516 4.130 8.371 61 HA PRO 8 HA PRO 8 -7.472 -2.993 5.666 62 HB2 PRO 8 HB2 PRO 8 -5.390 -4.646 5.860 63 HB3 PRO 8 HB3 PRO 8 -5.516 -3.500 4.520 64 HG2 PRO 8 HG2 PRO 8 -3.852 -3.351 6.994 65 HG3 PRO 8 HG3 PRO 8 -3.442 -2.876 5.336 66 HD2 PRO 8 HD2 PRO 8 -4.281 -1.146 7.353 67 HD3 PRO 8 HD3 PRO 8 -4.310 -0.790 5.616 68 H LYS 9 H LYS 9 -7.404 -5.264 6.743 69 HA LYS 9 HA LYS 9 -7.988 -4.912 9.550 70 HB2 LYS 9 HB2 LYS 9 -8.659 -7.286 9.452 71 HB3 LYS 9 HB3 LYS 9 -9.417 -6.334 8.184 72 HG2 LYS 9 HG2 LYS 9 -7.611 -7.145 6.636 73 HG3 LYS 9 HG3 LYS 9 -7.118 -8.253 7.918 74 HD2 LYS 9 HD2 LYS 9 -9.870 -8.143 6.690 75 HD3 LYS 9 HD3 LYS 9 -8.612 -9.293 6.241 76 HE2 LYS 9 HE2 LYS 9 -9.799 -9.011 8.999 77 HE3 LYS 9 HE3 LYS 9 -10.272 -10.228 7.817 78 HZ1 LYS 9 HZ1 LYS 9 -7.900 -10.969 7.835 79 HZ2 LYS 9 HZ2 LYS 9 -8.742 -11.232 9.281 80 HZ3 LYS 9 HZ3 LYS 9 -7.642 -9.946 9.168 81 H ASP 10 H ASP 10 -5.274 -5.660 7.739 82 HA ASP 10 HA ASP 10 -3.990 -7.360 9.700 83 HB2 ASP 10 HB2 ASP 10 -3.608 -7.590 7.219 84 HB3 ASP 10 HB3 ASP 10 -2.758 -6.049 7.267 85 H LYS 11 H LYS 11 -3.179 -6.514 11.487 86 HA LYS 11 HA LYS 11 -2.528 -3.674 11.602 87 HB2 LYS 11 HB2 LYS 11 -2.539 -5.727 13.822 88 HB3 LYS 11 HB3 LYS 11 -2.414 -3.988 14.016 89 HG2 LYS 11 HG2 LYS 11 -4.688 -3.752 13.087 90 HG3 LYS 11 HG3 LYS 11 -4.804 -5.512 13.004 91 HD2 LYS 11 HD2 LYS 11 -4.453 -3.825 15.484 92 HD3 LYS 11 HD3 LYS 11 -5.882 -4.759 15.033 93 HE2 LYS 11 HE2 LYS 11 -4.608 -6.829 15.239 94 HE3 LYS 11 HE3 LYS 11 -3.153 -5.912 15.625 95 HZ1 LYS 11 HZ1 LYS 11 -5.621 -6.138 17.261 96 HZ2 LYS 11 HZ2 LYS 11 -4.375 -5.040 17.592 97 HZ3 LYS 11 HZ3 LYS 11 -4.065 -6.699 17.648 98 H SER 12 H SER 12 -0.833 -6.257 10.637 99 HA SER 12 HA SER 12 1.491 -5.800 12.359 100 HB2 SER 12 HB2 SER 12 0.507 -8.131 11.982 101 HB3 SER 12 HB3 SER 12 1.176 -8.034 10.353 102 HG SER 12 HG SER 12 3.173 -8.162 11.128 103 H LYS 13 H LYS 13 0.335 -4.796 9.411 104 HA LYS 13 HA LYS 13 3.043 -4.517 8.308 105 HB2 LYS 13 HB2 LYS 13 2.009 -4.077 6.154 106 HB3 LYS 13 HB3 LYS 13 1.430 -5.600 6.811 107 HG2 LYS 13 HG2 LYS 13 -0.672 -4.632 7.394 108 HG3 LYS 13 HG3 LYS 13 -0.090 -3.010 7.007 109 HD2 LYS 13 HD2 LYS 13 -1.471 -3.825 5.195 110 HD3 LYS 13 HD3 LYS 13 0.206 -3.715 4.657 111 HE2 LYS 13 HE2 LYS 13 0.393 -6.177 5.259 112 HE3 LYS 13 HE3 LYS 13 -1.367 -6.173 5.378 113 HZ1 LYS 13 HZ1 LYS 13 -0.849 -6.864 3.207 114 HZ2 LYS 13 HZ2 LYS 13 0.305 -5.637 2.993 115 HZ3 LYS 13 HZ3 LYS 13 -1.342 -5.247 3.044 116 H VAL 14 H VAL 14 3.250 -2.439 6.944 117 HA VAL 14 HA VAL 14 2.665 -0.223 8.743 118 HB VAL 14 HB VAL 14 4.427 -0.351 6.287 119 HG11 VAL 14 HG11 VAL 14 3.565 1.901 6.661 120 HG12 VAL 14 HG12 VAL 14 5.293 1.816 7.007 121 HG13 VAL 14 HG13 VAL 14 4.128 1.847 8.331 122 HG21 VAL 14 HG21 VAL 14 5.299 -1.706 8.099 123 HG22 VAL 14 HG22 VAL 14 5.118 -0.360 9.224 124 HG23 VAL 14 HG23 VAL 14 6.284 -0.256 7.905 125 H ALA 15 H ALA 15 1.053 1.150 8.371 126 HA ALA 15 HA ALA 15 -0.365 1.118 5.841 127 HB1 ALA 15 HB1 ALA 15 -1.910 2.682 6.925 128 HB2 ALA 15 HB2 ALA 15 -0.836 2.780 8.320 129 HB3 ALA 15 HB3 ALA 15 -1.635 1.257 7.929 130 H GLY 16 H GLY 16 1.544 3.381 7.773 131 HA2 GLY 16 HA2 GLY 16 2.534 4.665 5.393 132 HA3 GLY 16 HA3 GLY 16 1.470 5.687 6.356 133 H TYR 17 H TYR 17 4.038 6.497 6.003 134 HA TYR 17 HA TYR 17 5.401 5.753 8.504 135 HB2 TYR 17 HB2 TYR 17 6.541 7.141 6.067 136 HB3 TYR 17 HB3 TYR 17 7.447 6.617 7.483 137 HD1 TYR 17 HD1 TYR 17 5.709 5.511 4.446 138 HD2 TYR 17 HD2 TYR 17 8.028 4.289 7.797 139 HE1 TYR 17 HE1 TYR 17 6.088 3.333 3.378 140 HE2 TYR 17 HE2 TYR 17 8.419 2.105 6.735 141 HH TYR 17 HH TYR 17 7.882 1.499 3.519 142 H ILE 18 H ILE 18 5.924 7.296 10.015 143 HA ILE 18 HA ILE 18 4.918 9.994 9.446 144 HB ILE 18 HB ILE 18 3.848 8.971 11.396 145 HG12 ILE 18 HG12 ILE 18 4.329 10.779 13.035 146 HG13 ILE 18 HG13 ILE 18 5.721 11.246 12.061 147 HG21 ILE 18 HG21 ILE 18 5.617 7.478 12.125 148 HG22 ILE 18 HG22 ILE 18 5.079 8.516 13.448 149 HG23 ILE 18 HG23 ILE 18 6.599 8.860 12.613 150 HD11 ILE 18 HD11 ILE 18 4.249 11.759 10.195 151 HD12 ILE 18 HD12 ILE 18 3.809 12.677 11.635 152 HD13 ILE 18 HD13 ILE 18 2.853 11.273 11.159 153 H GLU 19 H GLU 19 6.398 11.352 8.866 154 HA GLU 19 HA GLU 19 9.097 11.080 9.980 155 HB2 GLU 19 HB2 GLU 19 8.494 12.116 7.209 156 HB3 GLU 19 HB3 GLU 19 10.061 11.674 7.882 157 HG2 GLU 19 HG2 GLU 19 9.318 9.329 7.995 158 HG3 GLU 19 HG3 GLU 19 7.799 9.794 7.233 159 H ILE 20 H ILE 20 9.461 12.666 11.291 160 HA ILE 20 HA ILE 20 8.702 15.396 10.494 161 HB ILE 20 HB ILE 20 8.767 14.414 13.355 162 HG12 ILE 20 HG12 ILE 20 6.326 14.986 11.658 163 HG13 ILE 20 HG13 ILE 20 6.924 13.369 12.014 164 HG21 ILE 20 HG21 ILE 20 9.214 16.779 13.133 165 HG22 ILE 20 HG22 ILE 20 7.595 16.550 13.799 166 HG23 ILE 20 HG23 ILE 20 7.798 16.982 12.101 167 HD11 ILE 20 HD11 ILE 20 5.064 13.978 13.449 168 HD12 ILE 20 HD12 ILE 20 5.969 15.372 14.042 169 HD13 ILE 20 HD13 ILE 20 6.541 13.738 14.382 170 HA PRO 21 HA PRO 21 13.252 15.092 10.683 171 HB2 PRO 21 HB2 PRO 21 12.995 17.747 9.393 172 HB3 PRO 21 HB3 PRO 21 13.899 16.323 8.867 173 HG2 PRO 21 HG2 PRO 21 11.654 17.059 7.627 174 HG3 PRO 21 HG3 PRO 21 12.051 15.351 7.879 175 HD2 PRO 21 HD2 PRO 21 10.124 17.083 9.374 176 HD3 PRO 21 HD3 PRO 21 9.955 15.391 8.861 177 H ASP 22 H ASP 22 11.165 17.705 11.584 178 HA ASP 22 HA ASP 22 13.025 19.284 13.005 179 HB2 ASP 22 HB2 ASP 22 10.848 20.103 12.189 180 HB3 ASP 22 HB3 ASP 22 10.028 19.060 13.341 181 H ALA 23 H ALA 23 11.249 16.400 13.830 182 HA ALA 23 HA ALA 23 12.090 16.693 16.640 183 HB1 ALA 23 HB1 ALA 23 9.652 16.681 16.329 184 HB2 ALA 23 HB2 ALA 23 10.218 15.301 17.268 185 HB3 ALA 23 HB3 ALA 23 9.770 15.090 15.575 186 H ASP 24 H ASP 24 13.239 15.403 14.044 187 HA ASP 24 HA ASP 24 14.603 13.679 13.497 188 HB2 ASP 24 HB2 ASP 24 15.574 14.324 15.744 189 HB3 ASP 24 HB3 ASP 24 14.638 13.009 16.441 190 H ILE 25 H ILE 25 11.703 13.301 13.655 191 HA ILE 25 HA ILE 25 11.416 10.469 14.329 192 HB ILE 25 HB ILE 25 9.377 12.559 13.535 193 HG12 ILE 25 HG12 ILE 25 9.905 11.210 16.195 194 HG13 ILE 25 HG13 ILE 25 10.374 12.857 15.779 195 HG21 ILE 25 HG21 ILE 25 8.953 9.697 14.404 196 HG22 ILE 25 HG22 ILE 25 8.663 10.351 12.792 197 HG23 ILE 25 HG23 ILE 25 7.679 10.893 14.152 198 HD11 ILE 25 HD11 ILE 25 8.356 12.791 17.144 199 HD12 ILE 25 HD12 ILE 25 7.549 11.825 15.907 200 HD13 ILE 25 HD13 ILE 25 8.042 13.481 15.552 201 H LYS 26 H LYS 26 11.292 8.901 12.793 202 HA LYS 26 HA LYS 26 10.723 9.524 10.007 203 HB2 LYS 26 HB2 LYS 26 13.467 8.785 10.993 204 HB3 LYS 26 HB3 LYS 26 12.953 8.348 9.373 205 HG2 LYS 26 HG2 LYS 26 12.983 11.165 10.431 206 HG3 LYS 26 HG3 LYS 26 14.297 10.432 9.511 207 HD2 LYS 26 HD2 LYS 26 11.468 10.901 8.581 208 HD3 LYS 26 HD3 LYS 26 12.918 11.742 8.031 209 HE2 LYS 26 HE2 LYS 26 12.276 8.823 7.649 210 HE3 LYS 26 HE3 LYS 26 12.247 10.071 6.405 211 HZ1 LYS 26 HZ1 LYS 26 14.282 9.073 6.081 212 HZ2 LYS 26 HZ2 LYS 26 14.562 8.825 7.734 213 HZ3 LYS 26 HZ3 LYS 26 14.712 10.381 7.077 214 H GLU 27 H GLU 27 9.299 7.828 11.741 215 HA GLU 27 HA GLU 27 10.140 5.165 10.798 216 HB2 GLU 27 HB2 GLU 27 8.919 4.427 13.047 217 HB3 GLU 27 HB3 GLU 27 10.634 4.779 12.962 218 HG2 GLU 27 HG2 GLU 27 8.837 7.032 13.593 219 HG3 GLU 27 HG3 GLU 27 9.042 5.786 14.826 220 HA PRO 28 HA PRO 28 6.091 4.340 9.305 221 HB2 PRO 28 HB2 PRO 28 5.794 1.712 9.988 222 HB3 PRO 28 HB3 PRO 28 6.795 2.272 8.643 223 HG2 PRO 28 HG2 PRO 28 7.610 1.502 11.419 224 HG3 PRO 28 HG3 PRO 28 8.380 1.101 9.872 225 HD2 PRO 28 HD2 PRO 28 9.324 3.051 11.457 226 HD3 PRO 28 HD3 PRO 28 9.377 3.176 9.686 227 H VAL 29 H VAL 29 3.975 4.267 9.893 228 HA VAL 29 HA VAL 29 3.362 4.037 12.762 229 HB VAL 29 HB VAL 29 1.638 5.189 10.553 230 HG11 VAL 29 HG11 VAL 29 0.290 6.091 12.399 231 HG12 VAL 29 HG12 VAL 29 1.331 5.259 13.554 232 HG13 VAL 29 HG13 VAL 29 0.345 4.328 12.427 233 HG21 VAL 29 HG21 VAL 29 3.289 6.621 12.628 234 HG22 VAL 29 HG22 VAL 29 2.189 7.380 11.476 235 HG23 VAL 29 HG23 VAL 29 3.633 6.547 10.900 236 H TYR 30 H TYR 30 1.926 2.495 13.460 237 HA TYR 30 HA TYR 30 1.187 0.487 11.460 238 HB2 TYR 30 HB2 TYR 30 1.327 0.287 14.475 239 HB3 TYR 30 HB3 TYR 30 0.885 -1.029 13.391 240 HD1 TYR 30 HD1 TYR 30 3.489 0.262 15.263 241 HD2 TYR 30 HD2 TYR 30 2.703 -1.347 11.405 242 HE1 TYR 30 HE1 TYR 30 5.864 -0.326 15.033 243 HE2 TYR 30 HE2 TYR 30 5.076 -1.940 11.159 244 HH TYR 30 HH TYR 30 7.251 -1.239 12.072 245 HA PRO 31 HA PRO 31 -3.079 1.635 12.022 246 HB2 PRO 31 HB2 PRO 31 -4.159 -0.264 10.456 247 HB3 PRO 31 HB3 PRO 31 -3.272 1.106 9.780 248 HG2 PRO 31 HG2 PRO 31 -2.390 -1.716 10.180 249 HG3 PRO 31 HG3 PRO 31 -2.047 -0.609 8.838 250 HD2 PRO 31 HD2 PRO 31 -0.313 -1.149 10.924 251 HD3 PRO 31 HD3 PRO 31 -0.252 0.300 9.903 252 H GLY 32 H GLY 32 -4.390 1.127 13.701 253 HA2 GLY 32 HA2 GLY 32 -5.165 -1.513 14.323 254 HA3 GLY 32 HA3 GLY 32 -3.872 -1.019 15.404 255 HA PRO 33 HA PRO 33 -8.153 0.752 16.693 256 HB2 PRO 33 HB2 PRO 33 -9.226 -1.291 18.079 257 HB3 PRO 33 HB3 PRO 33 -9.455 -1.081 16.344 258 HG2 PRO 33 HG2 PRO 33 -7.524 -2.874 17.772 259 HG3 PRO 33 HG3 PRO 33 -8.594 -3.260 16.412 260 HD2 PRO 33 HD2 PRO 33 -5.986 -2.680 16.079 261 HD3 PRO 33 HD3 PRO 33 -7.218 -2.248 14.875 262 H ALA 34 H ALA 34 -5.491 0.768 17.729 263 HA ALA 34 HA ALA 34 -4.284 1.246 19.604 264 HB1 ALA 34 HB1 ALA 34 -6.992 1.940 20.732 265 HB2 ALA 34 HB2 ALA 34 -5.989 3.004 19.745 266 HB3 ALA 34 HB3 ALA 34 -5.432 2.494 21.340 267 H THR 35 H THR 35 -5.037 -1.500 19.340 268 HA THR 35 HA THR 35 -5.831 -2.473 21.912 269 HB THR 35 HB THR 35 -5.002 -4.698 20.880 270 HG1 THR 35 HG1 THR 35 -3.832 -4.221 19.154 271 HG21 THR 35 HG21 THR 35 -7.238 -3.155 19.560 272 HG22 THR 35 HG22 THR 35 -7.360 -4.055 21.071 273 HG23 THR 35 HG23 THR 35 -7.049 -4.908 19.558 274 HA PRO 36 HA PRO 36 -2.224 -2.501 24.333 275 HB2 PRO 36 HB2 PRO 36 -2.512 -5.463 24.564 276 HB3 PRO 36 HB3 PRO 36 -2.317 -4.248 25.833 277 HG2 PRO 36 HG2 PRO 36 -4.701 -5.295 25.372 278 HG3 PRO 36 HG3 PRO 36 -4.537 -3.557 25.690 279 HD2 PRO 36 HD2 PRO 36 -4.996 -4.975 23.098 280 HD3 PRO 36 HD3 PRO 36 -5.654 -3.429 23.671 281 H GLU 37 H GLU 37 -2.191 -5.348 22.161 282 HA GLU 37 HA GLU 37 0.682 -5.464 22.232 283 HB2 GLU 37 HB2 GLU 37 0.196 -7.122 20.232 284 HB3 GLU 37 HB3 GLU 37 -0.096 -7.579 21.900 285 HG2 GLU 37 HG2 GLU 37 -1.924 -8.323 20.581 286 HG3 GLU 37 HG3 GLU 37 -2.487 -6.995 21.589 287 H GLN 38 H GLN 38 -1.605 -3.745 20.418 288 HA GLN 38 HA GLN 38 0.038 -3.355 18.085 289 HB2 GLN 38 HB2 GLN 38 -2.520 -3.314 18.190 290 HB3 GLN 38 HB3 GLN 38 -2.359 -1.717 18.905 291 HG2 GLN 38 HG2 GLN 38 -2.797 -1.589 16.519 292 HG3 GLN 38 HG3 GLN 38 -1.212 -0.923 16.918 293 HE21 GLN 38 HE21 GLN 38 -0.492 -1.219 14.813 294 HE22 GLN 38 HE22 GLN 38 -0.105 -2.784 14.178 295 H LEU 39 H LEU 39 -1.000 -1.408 20.863 296 HA LEU 39 HA LEU 39 0.758 0.777 20.225 297 HB2 LEU 39 HB2 LEU 39 -0.765 0.141 22.756 298 HB3 LEU 39 HB3 LEU 39 0.092 1.639 22.453 299 HG LEU 39 HG LEU 39 -2.298 0.637 20.901 300 HD11 LEU 39 HD11 LEU 39 -2.890 1.348 23.148 301 HD12 LEU 39 HD12 LEU 39 -3.473 2.509 21.955 302 HD13 LEU 39 HD13 LEU 39 -2.034 2.871 22.909 303 HD21 LEU 39 HD21 LEU 39 -2.270 2.820 19.824 304 HD22 LEU 39 HD22 LEU 39 -0.764 1.954 19.518 305 HD23 LEU 39 HD23 LEU 39 -0.808 3.253 20.711 306 H ASN 40 H ASN 40 1.312 -2.231 21.319 307 HA ASN 40 HA ASN 40 3.372 -1.669 23.270 308 HB2 ASN 40 HB2 ASN 40 1.849 -3.723 23.208 309 HB3 ASN 40 HB3 ASN 40 2.818 -4.277 21.850 310 HD21 ASN 40 HD21 ASN 40 3.597 -6.056 22.846 311 HD22 ASN 40 HD22 ASN 40 4.693 -6.009 24.181 312 H ARG 41 H ARG 41 3.106 -2.773 19.930 313 HA ARG 41 HA ARG 41 5.935 -3.047 19.549 314 HB2 ARG 41 HB2 ARG 41 5.365 -3.543 17.237 315 HB3 ARG 41 HB3 ARG 41 4.285 -4.411 18.318 316 HG2 ARG 41 HG2 ARG 41 2.776 -2.270 17.926 317 HG3 ARG 41 HG3 ARG 41 3.714 -2.197 16.435 318 HD2 ARG 41 HD2 ARG 41 2.062 -4.522 17.414 319 HD3 ARG 41 HD3 ARG 41 1.669 -3.442 16.080 320 HE ARG 41 HE ARG 41 4.187 -4.735 15.692 321 HH11 ARG 41 HH11 ARG 41 0.723 -5.198 15.462 322 HH12 ARG 41 HH12 ARG 41 0.837 -6.434 14.255 323 HH21 ARG 41 HH21 ARG 41 4.355 -6.362 14.113 324 HH22 ARG 41 HH22 ARG 41 2.922 -7.098 13.463 325 H GLY 42 H GLY 42 3.562 -0.552 19.063 326 HA2 GLY 42 HA2 GLY 42 5.437 1.532 18.949 327 HA3 GLY 42 HA3 GLY 42 4.937 1.140 17.307 328 H VAL 43 H VAL 43 4.058 3.394 17.386 329 HA VAL 43 HA VAL 43 1.652 3.699 18.981 330 HB VAL 43 HB VAL 43 1.441 5.906 18.065 331 HG11 VAL 43 HG11 VAL 43 4.327 5.299 18.681 332 HG12 VAL 43 HG12 VAL 43 3.057 5.658 19.850 333 HG13 VAL 43 HG13 VAL 43 3.586 6.899 18.714 334 HG21 VAL 43 HG21 VAL 43 3.661 5.161 16.166 335 HG22 VAL 43 HG22 VAL 43 2.973 6.775 16.351 336 HG23 VAL 43 HG23 VAL 43 1.973 5.454 15.746 337 H SER 44 H SER 44 -0.426 4.138 18.029 338 HA SER 44 HA SER 44 -0.834 3.333 15.277 339 HB2 SER 44 HB2 SER 44 -2.052 1.781 17.580 340 HB3 SER 44 HB3 SER 44 -2.482 1.580 15.883 341 HG SER 44 HG SER 44 0.200 1.435 16.240 342 H PHE 45 H PHE 45 -3.410 3.239 14.994 343 HA PHE 45 HA PHE 45 -4.279 5.888 15.593 344 HB2 PHE 45 HB2 PHE 45 -5.659 3.546 14.273 345 HB3 PHE 45 HB3 PHE 45 -6.386 5.140 14.433 346 HD1 PHE 45 HD1 PHE 45 -4.684 7.090 13.656 347 HD2 PHE 45 HD2 PHE 45 -4.718 3.082 12.228 348 HE1 PHE 45 HE1 PHE 45 -3.575 7.822 11.588 349 HE2 PHE 45 HE2 PHE 45 -3.612 3.808 10.152 350 HZ PHE 45 HZ PHE 45 -3.037 6.188 9.835 351 H ALA 46 H ALA 46 -6.273 6.428 16.676 352 HA ALA 46 HA ALA 46 -6.488 5.201 19.219 353 HB1 ALA 46 HB1 ALA 46 -8.404 7.127 17.913 354 HB2 ALA 46 HB2 ALA 46 -6.965 7.581 18.826 355 HB3 ALA 46 HB3 ALA 46 -8.298 6.756 19.634 356 H GLU 47 H GLU 47 -8.586 5.192 16.363 357 HA GLU 47 HA GLU 47 -9.627 2.604 17.240 358 HB2 GLU 47 HB2 GLU 47 -11.278 5.016 16.491 359 HB3 GLU 47 HB3 GLU 47 -11.914 3.380 16.379 360 HG2 GLU 47 HG2 GLU 47 -11.499 3.054 18.760 361 HG3 GLU 47 HG3 GLU 47 -10.864 4.692 18.875 362 H GLU 48 H GLU 48 -11.049 1.689 15.368 363 HA GLU 48 HA GLU 48 -9.404 1.716 12.996 364 HB2 GLU 48 HB2 GLU 48 -10.693 -0.274 14.093 365 HB3 GLU 48 HB3 GLU 48 -12.072 0.352 13.199 366 HG2 GLU 48 HG2 GLU 48 -10.623 0.199 11.130 367 HG3 GLU 48 HG3 GLU 48 -9.487 -0.722 12.117 368 H ASN 49 H ASN 49 -11.600 3.799 14.113 369 HA ASN 49 HA ASN 49 -13.185 4.266 11.740 370 HB2 ASN 49 HB2 ASN 49 -13.883 4.716 14.173 371 HB3 ASN 49 HB3 ASN 49 -12.922 6.188 14.014 372 HD21 ASN 49 HD21 ASN 49 -14.454 7.676 13.937 373 HD22 ASN 49 HD22 ASN 49 -15.689 7.768 12.733 374 H GLU 50 H GLU 50 -10.138 5.175 12.942 375 HA GLU 50 HA GLU 50 -9.768 7.675 11.741 376 HB2 GLU 50 HB2 GLU 50 -8.056 5.549 12.841 377 HB3 GLU 50 HB3 GLU 50 -7.291 6.547 11.615 378 HG2 GLU 50 HG2 GLU 50 -6.880 7.350 13.891 379 HG3 GLU 50 HG3 GLU 50 -7.714 8.534 12.892 380 H SER 51 H SER 51 -8.626 8.225 9.815 381 HA SER 51 HA SER 51 -8.450 6.159 7.754 382 HB2 SER 51 HB2 SER 51 -9.923 8.779 7.345 383 HB3 SER 51 HB3 SER 51 -9.692 7.508 6.142 384 HG SER 51 HG SER 51 -10.768 6.391 8.291 385 H LEU 52 H LEU 52 -7.133 6.884 5.902 386 HA LEU 52 HA LEU 52 -4.895 8.420 6.814 387 HB2 LEU 52 HB2 LEU 52 -5.469 7.208 4.106 388 HB3 LEU 52 HB3 LEU 52 -3.942 7.922 4.583 389 HG LEU 52 HG LEU 52 -3.609 5.621 4.757 390 HD11 LEU 52 HD11 LEU 52 -4.325 6.543 7.527 391 HD12 LEU 52 HD12 LEU 52 -2.790 6.820 6.702 392 HD13 LEU 52 HD13 LEU 52 -3.282 5.180 7.121 393 HD21 LEU 52 HD21 LEU 52 -5.081 4.060 5.832 394 HD22 LEU 52 HD22 LEU 52 -5.931 4.936 4.560 395 HD23 LEU 52 HD23 LEU 52 -6.193 5.361 6.252 396 H ASP 53 H ASP 53 -7.717 9.020 4.956 397 HA ASP 53 HA ASP 53 -6.849 11.786 4.641 398 HB2 ASP 53 HB2 ASP 53 -6.649 10.568 2.466 399 HB3 ASP 53 HB3 ASP 53 -8.391 10.338 2.502 400 H ASP 54 H ASP 54 -8.024 11.592 6.616 401 HA ASP 54 HA ASP 54 -10.860 12.242 6.153 402 HB2 ASP 54 HB2 ASP 54 -10.374 10.112 7.530 403 HB3 ASP 54 HB3 ASP 54 -9.807 11.210 8.786 404 H GLN 55 H GLN 55 -11.696 13.845 7.778 405 HA GLN 55 HA GLN 55 -9.988 16.097 7.802 406 HB2 GLN 55 HB2 GLN 55 -12.519 16.128 7.772 407 HB3 GLN 55 HB3 GLN 55 -12.475 15.716 9.479 408 HG2 GLN 55 HG2 GLN 55 -10.891 18.067 8.667 409 HG3 GLN 55 HG3 GLN 55 -12.638 18.223 8.551 410 HE21 GLN 55 HE21 GLN 55 -9.923 17.969 10.660 411 HE22 GLN 55 HE22 GLN 55 -10.776 18.262 12.140 412 H ASN 56 H ASN 56 -10.802 13.645 10.177 413 HA ASN 56 HA ASN 56 -8.730 14.823 11.899 414 HB2 ASN 56 HB2 ASN 56 -9.952 13.786 13.857 415 HB3 ASN 56 HB3 ASN 56 -10.719 15.176 13.113 416 HD21 ASN 56 HD21 ASN 56 -10.797 11.883 11.824 417 HD22 ASN 56 HD22 ASN 56 -12.500 11.661 12.059 418 H ILE 57 H ILE 57 -7.079 13.585 12.434 419 HA ILE 57 HA ILE 57 -7.389 10.668 12.196 420 HB ILE 57 HB ILE 57 -4.899 12.207 11.436 421 HG12 ILE 57 HG12 ILE 57 -6.945 10.829 9.685 422 HG13 ILE 57 HG13 ILE 57 -6.711 12.568 9.817 423 HG21 ILE 57 HG21 ILE 57 -5.588 9.277 11.185 424 HG22 ILE 57 HG22 ILE 57 -4.434 9.982 12.317 425 HG23 ILE 57 HG23 ILE 57 -4.115 10.040 10.584 426 HD11 ILE 57 HD11 ILE 57 -5.705 11.695 7.803 427 HD12 ILE 57 HD12 ILE 57 -4.717 10.591 8.759 428 HD13 ILE 57 HD13 ILE 57 -4.473 12.332 8.891 429 H SER 58 H SER 58 -6.883 9.640 14.004 430 HA SER 58 HA SER 58 -5.567 11.206 16.123 431 HB2 SER 58 HB2 SER 58 -7.403 8.904 16.698 432 HB3 SER 58 HB3 SER 58 -7.049 10.320 17.686 433 HG SER 58 HG SER 58 -8.795 10.044 15.497 434 H ILE 59 H ILE 59 -3.514 10.507 16.321 435 HA ILE 59 HA ILE 59 -3.043 7.599 16.296 436 HB ILE 59 HB ILE 59 -0.925 9.753 16.095 437 HG12 ILE 59 HG12 ILE 59 -2.183 8.127 13.868 438 HG13 ILE 59 HG13 ILE 59 -2.422 9.851 14.129 439 HG21 ILE 59 HG21 ILE 59 -0.857 6.785 15.542 440 HG22 ILE 59 HG22 ILE 59 -0.162 7.594 16.947 441 HG23 ILE 59 HG23 ILE 59 0.492 7.902 15.339 442 HD11 ILE 59 HD11 ILE 59 -0.054 10.247 13.699 443 HD12 ILE 59 HD12 ILE 59 -0.827 9.428 12.341 444 HD13 ILE 59 HD13 ILE 59 0.194 8.519 13.454 445 H ALA 60 H ALA 60 -2.613 6.644 18.173 446 HA ALA 60 HA ALA 60 -2.398 8.339 20.545 447 HB1 ALA 60 HB1 ALA 60 -2.930 5.378 20.322 448 HB2 ALA 60 HB2 ALA 60 -4.151 6.639 20.513 449 HB3 ALA 60 HB3 ALA 60 -2.983 6.339 21.802 450 H GLY 61 H GLY 61 -0.493 8.714 21.424 451 HA2 GLY 61 HA2 GLY 61 1.774 6.993 20.774 452 HA3 GLY 61 HA3 GLY 61 1.844 8.568 21.555 453 H HIS 62 H HIS 62 2.253 5.357 22.032 454 HA HIS 62 HA HIS 62 1.225 4.978 24.651 455 HB2 HIS 62 HB2 HIS 62 1.880 3.116 23.144 456 HB3 HIS 62 HB3 HIS 62 3.562 3.609 23.290 457 HD1 HIS 62 HD1 HIS 62 4.247 3.715 26.100 458 HD2 HIS 62 HD2 HIS 62 1.370 1.030 24.743 459 HE1 HIS 62 HE1 HIS 62 4.137 1.901 27.836 460 H THR 63 H THR 63 4.230 6.182 23.343 461 HA THR 63 HA THR 63 5.989 7.295 24.231 462 HB THR 63 HB THR 63 4.528 7.289 26.878 463 HG1 THR 63 HG1 THR 63 3.375 8.923 26.150 464 HG21 THR 63 HG21 THR 63 5.900 9.275 27.333 465 HG22 THR 63 HG22 THR 63 6.696 9.079 25.770 466 HG23 THR 63 HG23 THR 63 6.904 7.858 27.027 467 H PHE 64 H PHE 64 7.884 6.393 24.657 468 HA PHE 64 HA PHE 64 8.054 4.307 26.702 469 HB2 PHE 64 HB2 PHE 64 8.736 4.026 23.813 470 HB3 PHE 64 HB3 PHE 64 9.771 3.228 24.989 471 HD1 PHE 64 HD1 PHE 64 8.484 1.826 26.804 472 HD2 PHE 64 HD2 PHE 64 6.926 2.875 22.983 473 HE1 PHE 64 HE1 PHE 64 6.921 -0.071 26.923 474 HE2 PHE 64 HE2 PHE 64 5.356 0.983 23.101 475 HZ PHE 64 HZ PHE 64 5.354 -0.494 25.071 476 H ILE 65 H ILE 65 9.895 4.267 27.841 477 HA ILE 65 HA ILE 65 11.854 6.381 27.391 478 HB ILE 65 HB ILE 65 11.562 4.350 29.617 479 HG12 ILE 65 HG12 ILE 65 11.121 7.337 29.701 480 HG13 ILE 65 HG13 ILE 65 9.826 6.168 29.459 481 HG21 ILE 65 HG21 ILE 65 13.895 4.941 29.316 482 HG22 ILE 65 HG22 ILE 65 13.266 5.645 30.806 483 HG23 ILE 65 HG23 ILE 65 13.488 6.658 29.380 484 HD11 ILE 65 HD11 ILE 65 11.615 6.354 31.871 485 HD12 ILE 65 HD12 ILE 65 10.328 5.172 31.628 486 HD13 ILE 65 HD13 ILE 65 9.935 6.886 31.770 487 H ASP 66 H ASP 66 11.527 2.907 27.524 488 HA ASP 66 HA ASP 66 14.109 2.024 27.192 489 HB2 ASP 66 HB2 ASP 66 12.341 0.470 27.577 490 HB3 ASP 66 HB3 ASP 66 11.501 0.968 26.116 491 H ARG 67 H ARG 67 11.818 2.985 24.658 492 HA ARG 67 HA ARG 67 14.041 3.025 22.739 493 HB2 ARG 67 HB2 ARG 67 11.072 2.718 22.389 494 HB3 ARG 67 HB3 ARG 67 12.099 3.219 21.054 495 HG2 ARG 67 HG2 ARG 67 13.374 1.172 21.216 496 HG3 ARG 67 HG3 ARG 67 12.438 0.676 22.627 497 HD2 ARG 67 HD2 ARG 67 11.155 1.254 19.972 498 HD3 ARG 67 HD3 ARG 67 11.789 -0.340 20.379 499 HE ARG 67 HE ARG 67 10.148 0.333 22.477 500 HH11 ARG 67 HH11 ARG 67 9.737 0.002 19.011 501 HH12 ARG 67 HH12 ARG 67 8.088 -0.532 19.124 502 HH21 ARG 67 HH21 ARG 67 8.003 -0.378 22.636 503 HH22 ARG 67 HH22 ARG 67 7.101 -0.770 21.208 504 HA PRO 68 HA PRO 68 13.447 7.485 23.208 505 HB2 PRO 68 HB2 PRO 68 15.868 8.213 22.364 506 HB3 PRO 68 HB3 PRO 68 15.656 7.468 23.957 507 HG2 PRO 68 HG2 PRO 68 16.521 6.204 21.374 508 HG3 PRO 68 HG3 PRO 68 17.256 6.050 22.986 509 HD2 PRO 68 HD2 PRO 68 15.553 4.190 21.962 510 HD3 PRO 68 HD3 PRO 68 15.669 4.531 23.701 511 H ASN 69 H ASN 69 14.171 5.519 20.482 512 HA ASN 69 HA ASN 69 13.557 7.754 18.696 513 HB2 ASN 69 HB2 ASN 69 16.015 6.926 18.722 514 HB3 ASN 69 HB3 ASN 69 15.391 5.534 17.841 515 HD21 ASN 69 HD21 ASN 69 14.404 8.911 17.684 516 HD22 ASN 69 HD22 ASN 69 14.756 9.129 16.006 517 H TYR 70 H TYR 70 11.416 6.695 19.219 518 HA TYR 70 HA TYR 70 10.849 5.291 16.733 519 HB2 TYR 70 HB2 TYR 70 9.462 3.667 17.658 520 HB3 TYR 70 HB3 TYR 70 10.729 3.761 18.872 521 HD1 TYR 70 HD1 TYR 70 10.265 5.368 20.864 522 HD2 TYR 70 HD2 TYR 70 7.260 3.826 18.289 523 HE1 TYR 70 HE1 TYR 70 8.570 5.826 22.569 524 HE2 TYR 70 HE2 TYR 70 5.553 4.282 19.991 525 HH TYR 70 HH TYR 70 6.153 6.253 22.663 526 H GLN 71 H GLN 71 8.118 5.420 16.776 527 HA GLN 71 HA GLN 71 7.730 7.821 15.626 528 HB2 GLN 71 HB2 GLN 71 5.581 6.303 17.097 529 HB3 GLN 71 HB3 GLN 71 5.315 7.522 15.861 530 HG2 GLN 71 HG2 GLN 71 5.104 5.664 14.586 531 HG3 GLN 71 HG3 GLN 71 6.848 5.893 14.443 532 HE21 GLN 71 HE21 GLN 71 7.239 3.736 14.060 533 HE22 GLN 71 HE22 GLN 71 7.094 2.530 15.288 534 H PHE 72 H PHE 72 6.334 7.259 18.908 535 HA PHE 72 HA PHE 72 6.525 10.178 19.214 536 HB2 PHE 72 HB2 PHE 72 4.432 8.334 20.367 537 HB3 PHE 72 HB3 PHE 72 4.565 10.053 20.725 538 HD1 PHE 72 HD1 PHE 72 2.098 8.857 19.663 539 HD2 PHE 72 HD2 PHE 72 5.489 10.425 17.627 540 HE1 PHE 72 HE1 PHE 72 0.697 9.344 17.700 541 HE2 PHE 72 HE2 PHE 72 4.097 10.918 15.666 542 HZ PHE 72 HZ PHE 72 1.699 10.371 15.696 543 H THR 73 H THR 73 8.431 10.299 20.217 544 HA THR 73 HA THR 73 8.291 9.988 23.071 545 HB THR 73 HB THR 73 10.212 8.371 21.439 546 HG1 THR 73 HG1 THR 73 9.752 7.252 23.733 547 HG21 THR 73 HG21 THR 73 11.675 9.852 22.760 548 HG22 THR 73 HG22 THR 73 11.771 8.171 23.290 549 HG23 THR 73 HG23 THR 73 10.842 9.343 24.230 550 H ASN 74 H ASN 74 10.305 10.880 20.276 551 HA ASN 74 HA ASN 74 11.438 13.087 21.830 552 HB2 ASN 74 HB2 ASN 74 12.890 11.520 20.444 553 HB3 ASN 74 HB3 ASN 74 12.193 12.270 19.017 554 HD21 ASN 74 HD21 ASN 74 13.059 14.108 18.284 555 HD22 ASN 74 HD22 ASN 74 14.292 15.012 19.098 556 H LEU 75 H LEU 75 8.648 12.937 20.786 557 HA LEU 75 HA LEU 75 8.360 14.713 18.590 558 HB2 LEU 75 HB2 LEU 75 6.689 13.098 20.142 559 HB3 LEU 75 HB3 LEU 75 6.110 14.729 20.415 560 HG LEU 75 HG LEU 75 6.350 13.340 17.746 561 HD11 LEU 75 HD11 LEU 75 3.904 13.550 17.726 562 HD12 LEU 75 HD12 LEU 75 3.961 14.208 19.362 563 HD13 LEU 75 HD13 LEU 75 4.479 12.550 19.061 564 HD21 LEU 75 HD21 LEU 75 6.853 15.694 17.482 565 HD22 LEU 75 HD22 LEU 75 5.409 16.127 18.397 566 HD23 LEU 75 HD23 LEU 75 5.255 15.337 16.827 567 H LYS 76 H LYS 76 9.268 15.265 21.783 568 HA LYS 76 HA LYS 76 7.991 17.767 22.223 569 HB2 LYS 76 HB2 LYS 76 9.667 17.996 24.078 570 HB3 LYS 76 HB3 LYS 76 8.720 16.519 24.133 571 HG2 LYS 76 HG2 LYS 76 10.890 15.854 24.669 572 HG3 LYS 76 HG3 LYS 76 10.701 15.400 22.978 573 HD2 LYS 76 HD2 LYS 76 11.894 17.443 22.313 574 HD3 LYS 76 HD3 LYS 76 12.097 17.868 24.012 575 HE2 LYS 76 HE2 LYS 76 13.158 15.345 22.747 576 HE3 LYS 76 HE3 LYS 76 14.105 16.814 22.980 577 HZ1 LYS 76 HZ1 LYS 76 12.950 15.048 25.065 578 HZ2 LYS 76 HZ2 LYS 76 13.543 16.598 25.404 579 HZ3 LYS 76 HZ3 LYS 76 14.588 15.409 24.790 580 H ALA 77 H ALA 77 10.478 16.876 20.179 581 HA ALA 77 HA ALA 77 11.923 19.396 20.336 582 HB1 ALA 77 HB1 ALA 77 13.189 17.329 20.036 583 HB2 ALA 77 HB2 ALA 77 13.391 18.397 18.647 584 HB3 ALA 77 HB3 ALA 77 12.317 17.004 18.538 585 H ALA 78 H ALA 78 9.062 18.703 19.174 586 HA ALA 78 HA ALA 78 9.356 19.768 16.476 587 HB1 ALA 78 HB1 ALA 78 6.984 18.601 17.929 588 HB2 ALA 78 HB2 ALA 78 7.989 17.796 16.721 589 HB3 ALA 78 HB3 ALA 78 6.971 19.158 16.251 590 H LYS 79 H LYS 79 8.766 21.740 15.874 591 HA LYS 79 HA LYS 79 7.380 23.442 17.847 592 HB2 LYS 79 HB2 LYS 79 8.954 24.359 15.431 593 HB3 LYS 79 HB3 LYS 79 8.293 25.374 16.701 594 HG2 LYS 79 HG2 LYS 79 10.526 25.271 17.257 595 HG3 LYS 79 HG3 LYS 79 9.837 23.993 18.263 596 HD2 LYS 79 HD2 LYS 79 10.461 22.349 16.541 597 HD3 LYS 79 HD3 LYS 79 11.210 23.639 15.607 598 HE2 LYS 79 HE2 LYS 79 12.820 24.028 17.349 599 HE3 LYS 79 HE3 LYS 79 12.014 22.863 18.403 600 HZ1 LYS 79 HZ1 LYS 79 12.555 21.108 16.857 601 HZ2 LYS 79 HZ2 LYS 79 13.970 21.916 17.312 602 HZ3 LYS 79 HZ3 LYS 79 13.279 22.210 15.794 603 H LYS 80 H LYS 80 6.408 25.424 16.197 604 HA LYS 80 HA LYS 80 4.008 24.200 15.337 605 HB2 LYS 80 HB2 LYS 80 3.408 26.476 14.494 606 HB3 LYS 80 HB3 LYS 80 3.885 26.416 16.183 607 HG2 LYS 80 HG2 LYS 80 6.067 27.301 15.636 608 HG3 LYS 80 HG3 LYS 80 5.664 27.288 13.916 609 HD2 LYS 80 HD2 LYS 80 5.432 29.527 14.927 610 HD3 LYS 80 HD3 LYS 80 3.908 28.918 14.282 611 HE2 LYS 80 HE2 LYS 80 3.537 29.959 16.435 612 HE3 LYS 80 HE3 LYS 80 3.250 28.224 16.551 613 HZ1 LYS 80 HZ1 LYS 80 4.495 28.979 18.444 614 HZ2 LYS 80 HZ2 LYS 80 5.682 29.675 17.450 615 HZ3 LYS 80 HZ3 LYS 80 5.495 27.990 17.495 616 H GLY 81 H GLY 81 6.856 25.281 13.568 617 HA2 GLY 81 HA2 GLY 81 5.532 24.306 11.114 618 HA3 GLY 81 HA3 GLY 81 6.898 25.423 11.139 619 H SER 82 H SER 82 6.171 22.290 12.599 620 HA SER 82 HA SER 82 8.862 21.396 12.400 621 HB2 SER 82 HB2 SER 82 7.740 19.213 13.189 622 HB3 SER 82 HB3 SER 82 7.640 20.617 14.253 623 HG SER 82 HG SER 82 5.582 20.521 14.085 624 H MET 83 H MET 83 6.293 21.408 10.230 625 HA MET 83 HA MET 83 5.729 20.323 8.333 626 HB2 MET 83 HB2 MET 83 8.716 20.275 8.266 627 HB3 MET 83 HB3 MET 83 7.808 19.425 7.023 628 HG2 MET 83 HG2 MET 83 6.934 22.175 7.554 629 HG3 MET 83 HG3 MET 83 8.555 22.015 6.889 630 HE1 MET 83 HE1 MET 83 5.465 19.691 6.346 631 HE2 MET 83 HE2 MET 83 4.856 20.193 4.769 632 HE3 MET 83 HE3 MET 83 4.658 21.251 6.174 633 H VAL 84 H VAL 84 4.554 18.717 9.318 634 HA VAL 84 HA VAL 84 5.820 16.186 9.941 635 HB VAL 84 HB VAL 84 2.891 16.931 9.939 636 HG11 VAL 84 HG11 VAL 84 2.625 14.966 11.379 637 HG12 VAL 84 HG12 VAL 84 4.339 14.598 11.179 638 HG13 VAL 84 HG13 VAL 84 3.255 14.534 9.789 639 HG21 VAL 84 HG21 VAL 84 3.134 17.179 12.360 640 HG22 VAL 84 HG22 VAL 84 4.158 18.321 11.490 641 HG23 VAL 84 HG23 VAL 84 4.866 16.878 12.218 642 H TYR 85 H TYR 85 6.317 14.858 8.320 643 HA TYR 85 HA TYR 85 4.649 14.855 5.909 644 HB2 TYR 85 HB2 TYR 85 7.311 13.500 6.415 645 HB3 TYR 85 HB3 TYR 85 6.459 13.559 4.876 646 HD1 TYR 85 HD1 TYR 85 8.704 15.263 7.112 647 HD2 TYR 85 HD2 TYR 85 6.214 15.772 3.702 648 HE1 TYR 85 HE1 TYR 85 9.906 17.332 6.553 649 HE2 TYR 85 HE2 TYR 85 7.405 17.847 3.134 650 HH TYR 85 HH TYR 85 10.350 18.751 4.677 651 H PHE 86 H PHE 86 2.963 13.499 6.064 652 HA PHE 86 HA PHE 86 3.391 10.908 7.365 653 HB2 PHE 86 HB2 PHE 86 1.387 12.243 8.025 654 HB3 PHE 86 HB3 PHE 86 0.796 12.106 6.372 655 HD1 PHE 86 HD1 PHE 86 -0.899 10.596 6.130 656 HD2 PHE 86 HD2 PHE 86 2.218 9.760 8.903 657 HE1 PHE 86 HE1 PHE 86 -1.978 8.458 6.691 658 HE2 PHE 86 HE2 PHE 86 1.146 7.619 9.470 659 HZ PHE 86 HZ PHE 86 -0.957 6.967 8.365 660 H LYS 87 H LYS 87 4.317 9.558 6.012 661 HA LYS 87 HA LYS 87 3.706 9.643 3.161 662 HB2 LYS 87 HB2 LYS 87 5.735 7.993 4.681 663 HB3 LYS 87 HB3 LYS 87 5.602 8.105 2.935 664 HG2 LYS 87 HG2 LYS 87 6.248 10.404 4.761 665 HG3 LYS 87 HG3 LYS 87 7.433 9.457 3.860 666 HD2 LYS 87 HD2 LYS 87 6.294 10.108 1.765 667 HD3 LYS 87 HD3 LYS 87 5.213 11.136 2.710 668 HE2 LYS 87 HE2 LYS 87 7.040 12.436 1.730 669 HE3 LYS 87 HE3 LYS 87 7.118 12.447 3.489 670 HZ1 LYS 87 HZ1 LYS 87 8.888 10.890 3.460 671 HZ2 LYS 87 HZ2 LYS 87 9.284 12.105 2.336 672 HZ3 LYS 87 HZ3 LYS 87 8.711 10.608 1.792 673 H VAL 88 H VAL 88 1.543 8.772 3.381 674 HA VAL 88 HA VAL 88 1.413 6.002 4.292 675 HB VAL 88 HB VAL 88 -0.369 7.370 5.133 676 HG11 VAL 88 HG11 VAL 88 -1.055 7.997 2.265 677 HG12 VAL 88 HG12 VAL 88 -0.411 9.122 3.461 678 HG13 VAL 88 HG13 VAL 88 -2.025 8.442 3.671 679 HG21 VAL 88 HG21 VAL 88 -2.336 6.122 4.248 680 HG22 VAL 88 HG22 VAL 88 -0.973 5.112 4.732 681 HG23 VAL 88 HG23 VAL 88 -1.269 5.429 3.024 682 H GLY 89 H GLY 89 1.533 4.368 2.962 683 HA2 GLY 89 HA2 GLY 89 1.749 3.171 1.014 684 HA3 GLY 89 HA3 GLY 89 0.502 4.221 0.356 685 H ASN 90 H ASN 90 1.049 5.679 -1.147 686 HA ASN 90 HA ASN 90 3.903 6.268 -1.529 687 HB2 ASN 90 HB2 ASN 90 1.818 5.614 -3.574 688 HB3 ASN 90 HB3 ASN 90 3.218 6.581 -4.005 689 HD21 ASN 90 HD21 ASN 90 4.973 5.140 -2.143 690 HD22 ASN 90 HD22 ASN 90 5.284 3.609 -2.891 691 H GLU 91 H GLU 91 1.307 7.589 -0.336 692 HA GLU 91 HA GLU 91 1.421 10.092 -1.865 693 HB2 GLU 91 HB2 GLU 91 -0.552 9.221 0.254 694 HB3 GLU 91 HB3 GLU 91 -0.615 10.731 -0.642 695 HG2 GLU 91 HG2 GLU 91 -0.739 9.280 -2.735 696 HG3 GLU 91 HG3 GLU 91 -1.093 7.946 -1.634 697 H THR 92 H THR 92 1.766 12.077 -0.828 698 HA THR 92 HA THR 92 3.148 11.830 1.762 699 HB THR 92 HB THR 92 3.776 13.711 -0.521 700 HG1 THR 92 HG1 THR 92 5.036 12.125 -1.122 701 HG21 THR 92 HG21 THR 92 4.174 14.798 1.623 702 HG22 THR 92 HG22 THR 92 5.709 14.394 0.853 703 HG23 THR 92 HG23 THR 92 5.099 13.404 2.179 704 H ARG 93 H ARG 93 1.704 12.535 3.209 705 HA ARG 93 HA ARG 93 0.168 14.960 2.675 706 HB2 ARG 93 HB2 ARG 93 0.162 13.008 4.975 707 HB3 ARG 93 HB3 ARG 93 -0.801 14.475 4.954 708 HG2 ARG 93 HG2 ARG 93 -1.016 12.162 3.043 709 HG3 ARG 93 HG3 ARG 93 -2.146 12.574 4.335 710 HD2 ARG 93 HD2 ARG 93 -2.449 14.804 3.173 711 HD3 ARG 93 HD3 ARG 93 -1.567 14.111 1.813 712 HE ARG 93 HE ARG 93 -4.288 13.647 2.505 713 HH11 ARG 93 HH11 ARG 93 -1.485 12.076 1.101 714 HH12 ARG 93 HH12 ARG 93 -2.434 10.961 0.160 715 HH21 ARG 93 HH21 ARG 93 -5.516 12.213 1.234 716 HH22 ARG 93 HH22 ARG 93 -4.696 11.050 0.221 717 H LYS 94 H LYS 94 0.589 16.898 3.594 718 HA LYS 94 HA LYS 94 2.882 17.037 5.431 719 HB2 LYS 94 HB2 LYS 94 3.243 19.352 4.604 720 HB3 LYS 94 HB3 LYS 94 3.506 18.135 3.375 721 HG2 LYS 94 HG2 LYS 94 0.946 19.699 3.635 722 HG3 LYS 94 HG3 LYS 94 2.307 20.225 2.648 723 HD2 LYS 94 HD2 LYS 94 0.849 17.601 2.311 724 HD3 LYS 94 HD3 LYS 94 0.546 19.052 1.354 725 HE2 LYS 94 HE2 LYS 94 2.820 19.010 0.518 726 HE3 LYS 94 HE3 LYS 94 3.192 17.617 1.531 727 HZ1 LYS 94 HZ1 LYS 94 1.173 17.647 -0.655 728 HZ2 LYS 94 HZ2 LYS 94 1.622 16.302 0.275 729 HZ3 LYS 94 HZ3 LYS 94 2.741 17.008 -0.784 730 H TYR 95 H TYR 95 2.553 17.915 7.367 731 HA TYR 95 HA TYR 95 0.107 19.495 7.784 732 HB2 TYR 95 HB2 TYR 95 1.190 17.371 9.642 733 HB3 TYR 95 HB3 TYR 95 -0.200 18.397 9.960 734 HD1 TYR 95 HD1 TYR 95 -2.344 17.904 8.998 735 HD2 TYR 95 HD2 TYR 95 1.078 15.625 7.904 736 HE1 TYR 95 HE1 TYR 95 -3.802 16.243 7.915 737 HE2 TYR 95 HE2 TYR 95 -0.365 13.962 6.824 738 HH TYR 95 HH TYR 95 -3.718 14.520 6.266 739 H LYS 96 H LYS 96 0.223 21.119 9.304 740 HA LYS 96 HA LYS 96 2.939 21.788 10.251 741 HB2 LYS 96 HB2 LYS 96 1.085 23.287 8.728 742 HB3 LYS 96 HB3 LYS 96 1.095 24.006 10.331 743 HG2 LYS 96 HG2 LYS 96 2.678 25.104 8.835 744 HG3 LYS 96 HG3 LYS 96 3.498 24.335 10.195 745 HD2 LYS 96 HD2 LYS 96 4.233 22.526 8.832 746 HD3 LYS 96 HD3 LYS 96 3.195 23.031 7.501 747 HE2 LYS 96 HE2 LYS 96 5.451 24.707 8.573 748 HE3 LYS 96 HE3 LYS 96 5.632 23.568 7.243 749 HZ1 LYS 96 HZ1 LYS 96 3.669 25.796 7.212 750 HZ2 LYS 96 HZ2 LYS 96 4.138 24.805 5.917 751 HZ3 LYS 96 HZ3 LYS 96 5.237 25.917 6.570 752 H MET 97 H MET 97 3.214 22.216 12.421 753 HA MET 97 HA MET 97 1.096 21.266 14.152 754 HB2 MET 97 HB2 MET 97 3.943 22.129 14.632 755 HB3 MET 97 HB3 MET 97 2.844 21.791 15.963 756 HG2 MET 97 HG2 MET 97 3.598 19.861 13.786 757 HG3 MET 97 HG3 MET 97 4.296 19.903 15.403 758 HE1 MET 97 HE1 MET 97 3.748 17.379 15.846 759 HE2 MET 97 HE2 MET 97 3.148 17.287 14.192 760 HE3 MET 97 HE3 MET 97 2.174 16.652 15.519 761 H THR 98 H THR 98 -0.236 23.122 13.351 762 HA THR 98 HA THR 98 0.457 25.754 14.285 763 HB THR 98 HB THR 98 -0.675 25.625 12.183 764 HG1 THR 98 HG1 THR 98 -1.821 26.909 14.313 765 HG21 THR 98 HG21 THR 98 -2.913 24.220 13.639 766 HG22 THR 98 HG22 THR 98 -1.801 23.484 12.482 767 HG23 THR 98 HG23 THR 98 -2.942 24.720 11.947 768 H SER 99 H SER 99 -1.137 23.064 15.656 769 HA SER 99 HA SER 99 -2.015 24.809 17.834 770 HB2 SER 99 HB2 SER 99 -3.647 22.511 16.752 771 HB3 SER 99 HB3 SER 99 -4.063 23.526 18.129 772 HG SER 99 HG SER 99 -3.599 25.198 16.201 773 H ILE 100 H ILE 100 -0.258 24.259 19.019 774 HA ILE 100 HA ILE 100 -0.041 21.455 19.892 775 HB ILE 100 HB ILE 100 1.994 23.684 20.153 776 HG12 ILE 100 HG12 ILE 100 2.040 21.226 18.387 777 HG13 ILE 100 HG13 ILE 100 1.701 22.863 17.832 778 HG21 ILE 100 HG21 ILE 100 2.187 20.761 20.876 779 HG22 ILE 100 HG22 ILE 100 2.133 22.118 22.002 780 HG23 ILE 100 HG23 ILE 100 3.517 21.918 20.929 781 HD11 ILE 100 HD11 ILE 100 3.988 22.242 17.339 782 HD12 ILE 100 HD12 ILE 100 4.281 21.897 19.043 783 HD13 ILE 100 HD13 ILE 100 3.947 23.548 18.524 784 H ARG 101 H ARG 101 -0.619 20.978 21.951 785 HA ARG 101 HA ARG 101 -0.289 22.864 24.075 786 HB2 ARG 101 HB2 ARG 101 -2.649 23.122 24.675 787 HB3 ARG 101 HB3 ARG 101 -2.344 23.772 23.072 788 HG2 ARG 101 HG2 ARG 101 -3.171 21.552 22.177 789 HG3 ARG 101 HG3 ARG 101 -3.741 21.225 23.815 790 HD2 ARG 101 HD2 ARG 101 -4.552 23.512 22.034 791 HD3 ARG 101 HD3 ARG 101 -5.538 22.132 22.496 792 HE ARG 101 HE ARG 101 -4.569 23.960 24.577 793 HH11 ARG 101 HH11 ARG 101 -7.209 22.620 22.719 794 HH12 ARG 101 HH12 ARG 101 -8.442 23.303 23.728 795 HH21 ARG 101 HH21 ARG 101 -6.202 24.840 25.927 796 HH22 ARG 101 HH22 ARG 101 -7.881 24.538 25.556 797 H ASP 102 H ASP 102 -1.932 21.861 25.958 798 HA ASP 102 HA ASP 102 -1.802 18.960 25.891 799 HB2 ASP 102 HB2 ASP 102 -0.750 18.931 28.194 800 HB3 ASP 102 HB3 ASP 102 0.328 19.376 26.877 801 H VAL 103 H VAL 103 -3.372 18.014 27.105 802 HA VAL 103 HA VAL 103 -5.240 19.906 28.362 803 HB VAL 103 HB VAL 103 -7.092 18.435 27.564 804 HG11 VAL 103 HG11 VAL 103 -7.065 19.270 25.259 805 HG12 VAL 103 HG12 VAL 103 -5.352 19.655 25.422 806 HG13 VAL 103 HG13 VAL 103 -6.543 20.506 26.404 807 HG21 VAL 103 HG21 VAL 103 -5.825 16.391 27.185 808 HG22 VAL 103 HG22 VAL 103 -4.917 17.178 25.894 809 HG23 VAL 103 HG23 VAL 103 -6.648 16.893 25.708 810 H LYS 104 H LYS 104 -6.963 18.585 29.615 811 HA LYS 104 HA LYS 104 -5.446 17.133 31.634 812 HB2 LYS 104 HB2 LYS 104 -8.253 18.273 31.657 813 HB3 LYS 104 HB3 LYS 104 -7.505 17.452 33.018 814 HG2 LYS 104 HG2 LYS 104 -7.321 19.757 33.458 815 HG3 LYS 104 HG3 LYS 104 -5.715 19.238 32.952 816 HD2 LYS 104 HD2 LYS 104 -6.244 21.346 31.902 817 HD3 LYS 104 HD3 LYS 104 -6.199 20.078 30.677 818 HE2 LYS 104 HE2 LYS 104 -8.676 19.921 30.833 819 HE3 LYS 104 HE3 LYS 104 -8.655 21.300 31.933 820 HZ1 LYS 104 HZ1 LYS 104 -7.228 22.202 29.821 821 HZ2 LYS 104 HZ2 LYS 104 -8.875 22.499 30.079 822 HZ3 LYS 104 HZ3 LYS 104 -8.396 21.227 29.060 823 HA PRO 105 HA PRO 105 -7.153 13.128 30.705 824 HB2 PRO 105 HB2 PRO 105 -7.836 12.246 33.225 825 HB3 PRO 105 HB3 PRO 105 -6.202 12.186 32.557 826 HG2 PRO 105 HG2 PRO 105 -7.417 14.186 34.418 827 HG3 PRO 105 HG3 PRO 105 -5.793 13.472 34.441 828 HD2 PRO 105 HD2 PRO 105 -6.230 15.955 33.509 829 HD3 PRO 105 HD3 PRO 105 -5.011 14.888 32.780 830 H THR 106 H THR 106 -8.903 15.435 32.604 831 HA THR 106 HA THR 106 -11.456 14.206 31.787 832 HB THR 106 HB THR 106 -11.199 14.253 34.224 833 HG1 THR 106 HG1 THR 106 -13.102 15.995 33.055 834 HG21 THR 106 HG21 THR 106 -9.653 16.104 34.459 835 HG22 THR 106 HG22 THR 106 -11.098 16.411 35.426 836 HG23 THR 106 HG23 THR 106 -10.874 17.235 33.883 837 H ASP 107 H ASP 107 -9.755 15.939 30.219 838 HA ASP 107 HA ASP 107 -10.577 18.624 30.234 839 HB2 ASP 107 HB2 ASP 107 -8.529 17.873 29.125 840 HB3 ASP 107 HB3 ASP 107 -9.483 16.958 27.961 841 H VAL 108 H VAL 108 -12.128 19.709 29.146 842 HA VAL 108 HA VAL 108 -14.231 18.059 27.922 843 HB VAL 108 HB VAL 108 -15.806 19.877 28.539 844 HG11 VAL 108 HG11 VAL 108 -15.564 17.927 29.979 845 HG12 VAL 108 HG12 VAL 108 -15.862 19.375 30.942 846 HG13 VAL 108 HG13 VAL 108 -14.233 18.707 30.834 847 HG21 VAL 108 HG21 VAL 108 -15.089 21.580 30.159 848 HG22 VAL 108 HG22 VAL 108 -14.226 21.731 28.629 849 HG23 VAL 108 HG23 VAL 108 -13.429 21.001 30.020 850 H GLU 109 H GLU 109 -11.786 19.958 26.973 851 HA GLU 109 HA GLU 109 -13.234 21.618 25.079 852 HB2 GLU 109 HB2 GLU 109 -10.275 21.209 25.543 853 HB3 GLU 109 HB3 GLU 109 -10.950 22.332 24.371 854 HG2 GLU 109 HG2 GLU 109 -12.030 23.569 26.181 855 HG3 GLU 109 HG3 GLU 109 -11.350 22.441 27.353 856 H VAL 110 H VAL 110 -11.258 18.732 25.164 857 HA VAL 110 HA VAL 110 -11.062 18.417 22.333 858 HB VAL 110 HB VAL 110 -10.253 16.138 22.828 859 HG11 VAL 110 HG11 VAL 110 -8.683 17.983 22.843 860 HG12 VAL 110 HG12 VAL 110 -8.249 16.815 24.091 861 HG13 VAL 110 HG13 VAL 110 -9.057 18.317 24.534 862 HG21 VAL 110 HG21 VAL 110 -11.663 15.608 24.741 863 HG22 VAL 110 HG22 VAL 110 -10.865 16.856 25.698 864 HG23 VAL 110 HG23 VAL 110 -9.960 15.437 25.172 865 H LEU 111 H LEU 111 -13.641 17.946 24.450 866 HA LEU 111 HA LEU 111 -14.874 16.016 22.609 867 HB2 LEU 111 HB2 LEU 111 -16.428 15.466 24.449 868 HB3 LEU 111 HB3 LEU 111 -14.757 15.084 24.796 869 HG LEU 111 HG LEU 111 -14.732 17.352 26.051 870 HD11 LEU 111 HD11 LEU 111 -16.868 18.048 26.957 871 HD12 LEU 111 HD12 LEU 111 -17.692 16.797 26.027 872 HD13 LEU 111 HD13 LEU 111 -16.896 18.132 25.194 873 HD21 LEU 111 HD21 LEU 111 -15.533 16.254 28.079 874 HD22 LEU 111 HD22 LEU 111 -14.534 15.169 27.112 875 HD23 LEU 111 HD23 LEU 111 -16.288 14.996 27.101 876 H ASP 112 H ASP 112 -14.766 19.207 23.095 877 HA ASP 112 HA ASP 112 -17.651 19.653 22.788 878 HB2 ASP 112 HB2 ASP 112 -16.018 20.930 24.447 879 HB3 ASP 112 HB3 ASP 112 -15.706 21.908 23.015 880 H GLU 113 H GLU 113 -17.359 22.197 21.503 881 HA GLU 113 HA GLU 113 -17.556 21.384 18.833 882 HB2 GLU 113 HB2 GLU 113 -17.616 23.810 18.315 883 HB3 GLU 113 HB3 GLU 113 -18.717 23.345 19.605 884 HG2 GLU 113 HG2 GLU 113 -17.263 24.249 21.268 885 HG3 GLU 113 HG3 GLU 113 -15.994 24.527 20.077 886 H GLN 114 H GLN 114 -15.958 20.638 17.645 887 HA GLN 114 HA GLN 114 -13.289 21.722 17.879 888 HB2 GLN 114 HB2 GLN 114 -14.383 19.687 15.927 889 HB3 GLN 114 HB3 GLN 114 -12.684 20.044 16.221 890 HG2 GLN 114 HG2 GLN 114 -14.642 18.834 18.155 891 HG3 GLN 114 HG3 GLN 114 -13.271 18.038 17.387 892 HE21 GLN 114 HE21 GLN 114 -14.014 18.594 20.240 893 HE22 GLN 114 HE22 GLN 114 -12.614 19.349 20.918 894 H LYS 115 H LYS 115 -12.315 23.071 16.469 895 HA LYS 115 HA LYS 115 -14.137 24.824 15.149 896 HB2 LYS 115 HB2 LYS 115 -11.198 24.886 15.687 897 HB3 LYS 115 HB3 LYS 115 -11.923 26.053 14.590 898 HG2 LYS 115 HG2 LYS 115 -11.721 26.989 16.820 899 HG3 LYS 115 HG3 LYS 115 -13.419 26.809 16.379 900 HD2 LYS 115 HD2 LYS 115 -13.429 24.654 17.665 901 HD3 LYS 115 HD3 LYS 115 -11.808 25.057 18.233 902 HE2 LYS 115 HE2 LYS 115 -12.659 27.101 19.250 903 HE3 LYS 115 HE3 LYS 115 -14.278 26.741 18.652 904 HZ1 LYS 115 HZ1 LYS 115 -14.280 24.732 20.017 905 HZ2 LYS 115 HZ2 LYS 115 -14.051 26.118 20.968 906 HZ3 LYS 115 HZ3 LYS 115 -12.738 25.114 20.607 907 H GLY 116 H GLY 116 -13.320 25.870 13.028 908 HA2 GLY 116 HA2 GLY 116 -13.776 23.885 11.036 909 HA3 GLY 116 HA3 GLY 116 -13.472 25.591 10.752 910 H LYS 117 H LYS 117 -11.590 22.945 12.154 911 HA LYS 117 HA LYS 117 -9.149 23.712 10.899 912 HB2 LYS 117 HB2 LYS 117 -9.977 21.058 12.092 913 HB3 LYS 117 HB3 LYS 117 -8.337 21.485 11.634 914 HG2 LYS 117 HG2 LYS 117 -9.966 22.879 13.746 915 HG3 LYS 117 HG3 LYS 117 -8.734 21.653 14.047 916 HD2 LYS 117 HD2 LYS 117 -7.103 23.162 12.847 917 HD3 LYS 117 HD3 LYS 117 -8.358 24.406 12.883 918 HE2 LYS 117 HE2 LYS 117 -8.456 24.137 15.364 919 HE3 LYS 117 HE3 LYS 117 -7.069 23.057 15.253 920 HZ1 LYS 117 HZ1 LYS 117 -6.293 25.218 15.808 921 HZ2 LYS 117 HZ2 LYS 117 -7.163 25.935 14.540 922 HZ3 LYS 117 HZ3 LYS 117 -5.845 24.928 14.195 923 H ASP 118 H ASP 118 -7.918 22.098 9.521 924 HA ASP 118 HA ASP 118 -9.630 20.942 7.424 925 HB2 ASP 118 HB2 ASP 118 -7.656 22.627 6.969 926 HB3 ASP 118 HB3 ASP 118 -6.642 21.207 7.213 927 H LYS 119 H LYS 119 -7.398 19.142 6.595 928 HA LYS 119 HA LYS 119 -7.851 16.895 8.217 929 HB2 LYS 119 HB2 LYS 119 -5.739 17.630 6.228 930 HB3 LYS 119 HB3 LYS 119 -5.480 16.220 7.240 931 HG2 LYS 119 HG2 LYS 119 -6.412 15.636 5.069 932 HG3 LYS 119 HG3 LYS 119 -7.500 15.199 6.385 933 HD2 LYS 119 HD2 LYS 119 -9.054 16.763 5.800 934 HD3 LYS 119 HD3 LYS 119 -7.853 17.851 5.097 935 HE2 LYS 119 HE2 LYS 119 -8.652 15.215 3.874 936 HE3 LYS 119 HE3 LYS 119 -9.377 16.761 3.430 937 HZ1 LYS 119 HZ1 LYS 119 -6.455 16.233 3.267 938 HZ2 LYS 119 HZ2 LYS 119 -7.311 17.545 2.622 939 HZ3 LYS 119 HZ3 LYS 119 -7.516 15.998 1.962 940 H GLN 120 H GLN 120 -7.321 16.656 10.287 941 HA GLN 120 HA GLN 120 -4.913 18.051 11.254 942 HB2 GLN 120 HB2 GLN 120 -5.986 18.100 13.478 943 HB3 GLN 120 HB3 GLN 120 -6.909 18.965 12.260 944 HG2 GLN 120 HG2 GLN 120 -8.451 17.098 12.071 945 HG3 GLN 120 HG3 GLN 120 -7.507 16.183 13.243 946 HE21 GLN 120 HE21 GLN 120 -7.624 16.720 15.421 947 HE22 GLN 120 HE22 GLN 120 -8.854 17.765 16.042 948 H LEU 121 H LEU 121 -3.262 16.781 11.675 949 HA LEU 121 HA LEU 121 -3.633 14.031 12.506 950 HB2 LEU 121 HB2 LEU 121 -1.232 15.785 12.089 951 HB3 LEU 121 HB3 LEU 121 -1.083 14.279 12.971 952 HG LEU 121 HG LEU 121 -1.856 14.640 10.081 953 HD11 LEU 121 HD11 LEU 121 0.436 13.219 11.430 954 HD12 LEU 121 HD12 LEU 121 0.524 14.751 10.563 955 HD13 LEU 121 HD13 LEU 121 0.131 13.270 9.694 956 HD21 LEU 121 HD21 LEU 121 -1.851 12.107 11.725 957 HD22 LEU 121 HD22 LEU 121 -2.077 12.204 9.978 958 HD23 LEU 121 HD23 LEU 121 -3.274 12.913 11.061 959 H THR 122 H THR 122 -4.467 13.792 14.457 960 HA THR 122 HA THR 122 -3.724 15.640 16.588 961 HB THR 122 HB THR 122 -5.703 13.350 16.685 962 HG1 THR 122 HG1 THR 122 -6.061 15.113 15.061 963 HG21 THR 122 HG21 THR 122 -6.659 14.589 18.560 964 HG22 THR 122 HG22 THR 122 -5.430 15.840 18.376 965 HG23 THR 122 HG23 THR 122 -4.964 14.212 18.868 966 H LEU 123 H LEU 123 -1.645 15.048 17.081 967 HA LEU 123 HA LEU 123 -1.034 12.253 17.578 968 HB2 LEU 123 HB2 LEU 123 0.779 14.635 17.935 969 HB3 LEU 123 HB3 LEU 123 1.251 12.952 17.812 970 HG LEU 123 HG LEU 123 0.245 14.762 15.624 971 HD11 LEU 123 HD11 LEU 123 2.622 14.866 16.116 972 HD12 LEU 123 HD12 LEU 123 2.337 14.117 14.545 973 HD13 LEU 123 HD13 LEU 123 2.749 13.116 15.937 974 HD21 LEU 123 HD21 LEU 123 0.311 12.812 14.128 975 HD22 LEU 123 HD22 LEU 123 -0.930 12.653 15.372 976 HD23 LEU 123 HD23 LEU 123 0.586 11.767 15.521 977 H ILE 124 H ILE 124 -1.877 11.545 19.421 978 HA ILE 124 HA ILE 124 -1.918 13.252 21.783 979 HB ILE 124 HB ILE 124 -2.982 10.438 21.494 980 HG12 ILE 124 HG12 ILE 124 -4.487 13.047 21.177 981 HG13 ILE 124 HG13 ILE 124 -3.987 12.018 19.839 982 HG21 ILE 124 HG21 ILE 124 -2.673 11.151 23.794 983 HG22 ILE 124 HG22 ILE 124 -4.393 11.069 23.409 984 HG23 ILE 124 HG23 ILE 124 -3.576 12.633 23.479 985 HD11 ILE 124 HD11 ILE 124 -5.897 11.256 22.037 986 HD12 ILE 124 HD12 ILE 124 -5.400 10.222 20.698 987 HD13 ILE 124 HD13 ILE 124 -6.328 11.687 20.382 988 H THR 125 H THR 125 0.108 13.329 22.647 989 HA THR 125 HA THR 125 1.535 10.785 23.022 990 HB THR 125 HB THR 125 2.721 13.530 23.410 991 HG1 THR 125 HG1 THR 125 1.727 12.872 21.194 992 HG21 THR 125 HG21 THR 125 3.921 10.847 22.701 993 HG22 THR 125 HG22 THR 125 3.981 11.611 24.290 994 HG23 THR 125 HG23 THR 125 4.814 12.352 22.922 995 H CYS 126 H CYS 126 0.883 9.928 24.895 996 HA CYS 126 HA CYS 126 0.406 11.656 27.192 997 HB2 CYS 126 HB2 CYS 126 -0.033 8.683 26.842 998 HB3 CYS 126 HB3 CYS 126 -0.505 9.625 28.253 999 H ASP 127 H ASP 127 2.314 12.229 28.106 1000 HA ASP 127 HA ASP 127 4.053 10.011 28.955 1001 HB2 ASP 127 HB2 ASP 127 5.191 11.446 27.299 1002 HB3 ASP 127 HB3 ASP 127 4.921 12.845 28.337 1003 H ASP 128 H ASP 128 2.384 10.047 30.667 1004 HA ASP 128 HA ASP 128 3.428 11.092 33.053 1005 HB2 ASP 128 HB2 ASP 128 2.506 13.227 32.185 1006 HB3 ASP 128 HB3 ASP 128 0.912 12.483 32.095 1007 H TYR 129 H TYR 129 3.107 9.041 33.806 1008 HA TYR 129 HA TYR 129 0.356 8.031 33.806 1009 HB2 TYR 129 HB2 TYR 129 1.960 6.452 32.893 1010 HB3 TYR 129 HB3 TYR 129 2.969 6.597 34.330 1011 HD1 TYR 129 HD1 TYR 129 2.669 5.126 36.110 1012 HD2 TYR 129 HD2 TYR 129 -0.439 5.565 33.240 1013 HE1 TYR 129 HE1 TYR 129 1.439 3.285 37.172 1014 HE2 TYR 129 HE2 TYR 129 -1.677 3.716 34.288 1015 HH TYR 129 HH TYR 129 -0.744 2.373 37.340 1016 H ASN 130 H ASN 130 -0.776 8.469 35.556 1017 HA ASN 130 HA ASN 130 0.577 8.961 38.078 1018 HB2 ASN 130 HB2 ASN 130 -1.402 10.334 37.291 1019 HB3 ASN 130 HB3 ASN 130 -2.405 8.911 37.561 1020 HD21 ASN 130 HD21 ASN 130 -2.620 11.475 38.834 1021 HD22 ASN 130 HD22 ASN 130 -2.392 11.204 40.535 1022 H GLU 131 H GLU 131 1.298 7.177 39.013 1023 HA GLU 131 HA GLU 131 0.206 4.598 38.722 1024 HB2 GLU 131 HB2 GLU 131 1.945 5.615 40.974 1025 HB3 GLU 131 HB3 GLU 131 1.766 3.945 40.455 1026 HG2 GLU 131 HG2 GLU 131 2.801 4.512 38.310 1027 HG3 GLU 131 HG3 GLU 131 3.004 6.175 38.861 1028 H LYS 132 H LYS 132 -0.549 7.208 40.835 1029 HA LYS 132 HA LYS 132 -1.616 5.637 42.964 1030 HB2 LYS 132 HB2 LYS 132 -1.491 8.564 42.319 1031 HB3 LYS 132 HB3 LYS 132 -2.452 7.979 43.655 1032 HG2 LYS 132 HG2 LYS 132 -0.354 8.674 44.529 1033 HG3 LYS 132 HG3 LYS 132 -0.394 6.915 44.587 1034 HD2 LYS 132 HD2 LYS 132 1.664 7.128 43.680 1035 HD3 LYS 132 HD3 LYS 132 0.748 7.257 42.180 1036 HE2 LYS 132 HE2 LYS 132 1.702 9.585 43.850 1037 HE3 LYS 132 HE3 LYS 132 2.494 8.993 42.393 1038 HZ1 LYS 132 HZ1 LYS 132 0.447 9.522 41.164 1039 HZ2 LYS 132 HZ2 LYS 132 1.147 10.890 41.872 1040 HZ3 LYS 132 HZ3 LYS 132 -0.225 10.182 42.572 1041 H THR 133 H THR 133 -2.816 6.831 39.994 1042 HA THR 133 HA THR 133 -5.571 6.263 40.868 1043 HB THR 133 HB THR 133 -6.260 7.784 38.956 1044 HG1 THR 133 HG1 THR 133 -4.394 9.399 38.648 1045 HG21 THR 133 HG21 THR 133 -4.724 9.011 41.250 1046 HG22 THR 133 HG22 THR 133 -6.419 8.524 41.275 1047 HG23 THR 133 HG23 THR 133 -5.898 9.851 40.237 1048 H GLY 134 H GLY 134 -3.122 5.865 38.405 1049 HA2 GLY 134 HA2 GLY 134 -2.932 4.040 36.950 1050 HA3 GLY 134 HA3 GLY 134 -4.604 3.618 37.299 1051 H VAL 135 H VAL 135 -3.599 6.847 36.438 1052 HA VAL 135 HA VAL 135 -4.834 6.514 33.793 1053 HB VAL 135 HB VAL 135 -6.431 7.502 35.493 1054 HG11 VAL 135 HG11 VAL 135 -4.921 8.869 36.768 1055 HG12 VAL 135 HG12 VAL 135 -6.158 9.890 36.033 1056 HG13 VAL 135 HG13 VAL 135 -4.537 9.835 35.341 1057 HG21 VAL 135 HG21 VAL 135 -7.262 9.246 33.973 1058 HG22 VAL 135 HG22 VAL 135 -6.803 7.773 33.115 1059 HG23 VAL 135 HG23 VAL 135 -5.737 9.178 33.086 1060 H TRP 136 H TRP 136 -4.145 8.050 32.214 1061 HA TRP 136 HA TRP 136 -1.557 9.283 32.804 1062 HB2 TRP 136 HB2 TRP 136 -2.950 8.830 30.150 1063 HB3 TRP 136 HB3 TRP 136 -1.341 9.517 30.352 1064 HD1 TRP 136 HD1 TRP 136 -3.200 6.182 31.033 1065 HE1 TRP 136 HE1 TRP 136 -1.499 4.258 30.815 1066 HE3 TRP 136 HE3 TRP 136 1.035 8.940 30.262 1067 HZ2 TRP 136 HZ2 TRP 136 1.274 3.962 30.366 1068 HZ3 TRP 136 HZ3 TRP 136 3.169 7.759 29.945 1069 HH2 TRP 136 HH2 TRP 136 3.284 5.322 29.997 1070 H GLU 137 H GLU 137 -1.667 11.322 33.482 1071 HA GLU 137 HA GLU 137 -4.097 12.835 32.993 1072 HB2 GLU 137 HB2 GLU 137 -1.746 13.236 34.819 1073 HB3 GLU 137 HB3 GLU 137 -2.993 14.463 34.613 1074 HG2 GLU 137 HG2 GLU 137 -4.677 12.731 35.272 1075 HG3 GLU 137 HG3 GLU 137 -3.327 11.675 35.682 1076 H LYS 138 H LYS 138 -0.626 13.676 32.892 1077 HA LYS 138 HA LYS 138 -1.180 16.000 31.298 1078 HB2 LYS 138 HB2 LYS 138 0.659 15.820 32.959 1079 HB3 LYS 138 HB3 LYS 138 1.486 14.727 31.872 1080 HG2 LYS 138 HG2 LYS 138 2.470 16.852 31.593 1081 HG3 LYS 138 HG3 LYS 138 1.467 16.565 30.170 1082 HD2 LYS 138 HD2 LYS 138 -0.203 18.048 30.915 1083 HD3 LYS 138 HD3 LYS 138 0.446 18.081 32.557 1084 HE2 LYS 138 HE2 LYS 138 2.448 19.227 31.735 1085 HE3 LYS 138 HE3 LYS 138 1.788 19.204 30.100 1086 HZ1 LYS 138 HZ1 LYS 138 1.502 21.314 31.449 1087 HZ2 LYS 138 HZ2 LYS 138 0.329 20.477 32.338 1088 HZ3 LYS 138 HZ3 LYS 138 0.123 20.711 30.670 1089 H ARG 139 H ARG 139 -2.259 14.978 29.623 1090 HA ARG 139 HA ARG 139 -0.684 13.434 27.736 1091 HB2 ARG 139 HB2 ARG 139 -2.814 13.246 26.463 1092 HB3 ARG 139 HB3 ARG 139 -2.833 12.526 28.066 1093 HG2 ARG 139 HG2 ARG 139 -4.204 14.174 28.930 1094 HG3 ARG 139 HG3 ARG 139 -3.818 15.308 27.631 1095 HD2 ARG 139 HD2 ARG 139 -5.814 14.641 26.885 1096 HD3 ARG 139 HD3 ARG 139 -4.856 13.369 26.164 1097 HE ARG 139 HE ARG 139 -5.529 11.988 28.140 1098 HH11 ARG 139 HH11 ARG 139 -7.479 14.711 27.135 1099 HH12 ARG 139 HH12 ARG 139 -8.965 14.035 27.708 1100 HH21 ARG 139 HH21 ARG 139 -7.508 11.037 28.858 1101 HH22 ARG 139 HH22 ARG 139 -8.983 11.955 28.696 1102 H LYS 140 H LYS 140 0.594 14.530 26.458 1103 HA LYS 140 HA LYS 140 0.050 17.279 25.766 1104 HB2 LYS 140 HB2 LYS 140 2.354 16.251 26.256 1105 HB3 LYS 140 HB3 LYS 140 2.250 15.530 24.656 1106 HG2 LYS 140 HG2 LYS 140 3.550 17.536 24.532 1107 HG3 LYS 140 HG3 LYS 140 2.016 17.795 23.696 1108 HD2 LYS 140 HD2 LYS 140 1.132 18.945 25.647 1109 HD3 LYS 140 HD3 LYS 140 2.636 18.657 26.519 1110 HE2 LYS 140 HE2 LYS 140 3.809 19.964 24.726 1111 HE3 LYS 140 HE3 LYS 140 2.219 20.381 24.086 1112 HZ1 LYS 140 HZ1 LYS 140 3.252 21.041 26.796 1113 HZ2 LYS 140 HZ2 LYS 140 1.684 21.385 26.254 1114 HZ3 LYS 140 HZ3 LYS 140 3.019 22.132 25.516 1115 H ILE 141 H ILE 141 -0.747 18.005 23.833 1116 HA ILE 141 HA ILE 141 -1.322 15.923 21.845 1117 HB ILE 141 HB ILE 141 -3.364 16.490 23.060 1118 HG12 ILE 141 HG12 ILE 141 -3.365 17.532 20.224 1119 HG13 ILE 141 HG13 ILE 141 -3.500 15.840 20.695 1120 HG21 ILE 141 HG21 ILE 141 -2.856 18.753 23.726 1121 HG22 ILE 141 HG22 ILE 141 -4.381 18.708 22.839 1122 HG23 ILE 141 HG23 ILE 141 -2.914 19.278 22.043 1123 HD11 ILE 141 HD11 ILE 141 -5.478 18.009 21.355 1124 HD12 ILE 141 HD12 ILE 141 -5.618 16.308 21.798 1125 HD13 ILE 141 HD13 ILE 141 -5.661 16.784 20.100 1126 H PHE 142 H PHE 142 -0.510 16.272 19.981 1127 HA PHE 142 HA PHE 142 0.203 19.005 19.162 1128 HB2 PHE 142 HB2 PHE 142 1.437 16.324 18.591 1129 HB3 PHE 142 HB3 PHE 142 1.694 17.672 17.493 1130 HD1 PHE 142 HD1 PHE 142 3.587 18.884 17.771 1131 HD2 PHE 142 HD2 PHE 142 1.868 17.007 21.187 1132 HE1 PHE 142 HE1 PHE 142 5.460 19.682 19.150 1133 HE2 PHE 142 HE2 PHE 142 3.743 17.799 22.565 1134 HZ PHE 142 HZ PHE 142 5.543 19.138 21.549 1135 H VAL 143 H VAL 143 -1.435 19.754 17.948 1136 HA VAL 143 HA VAL 143 -2.747 17.929 16.056 1137 HB VAL 143 HB VAL 143 -3.569 20.739 16.783 1138 HG11 VAL 143 HG11 VAL 143 -4.440 19.986 14.646 1139 HG12 VAL 143 HG12 VAL 143 -5.736 20.077 15.840 1140 HG13 VAL 143 HG13 VAL 143 -5.052 18.512 15.399 1141 HG21 VAL 143 HG21 VAL 143 -4.561 18.128 17.905 1142 HG22 VAL 143 HG22 VAL 143 -5.270 19.712 18.220 1143 HG23 VAL 143 HG23 VAL 143 -3.632 19.352 18.770 1144 H ALA 144 H ALA 144 -1.616 17.822 14.250 1145 HA ALA 144 HA ALA 144 -0.556 20.288 13.072 1146 HB1 ALA 144 HB1 ALA 144 1.008 18.423 13.319 1147 HB2 ALA 144 HB2 ALA 144 0.754 18.838 11.622 1148 HB3 ALA 144 HB3 ALA 144 -0.036 17.419 12.311 1149 H THR 145 H THR 145 -1.716 21.270 11.570 1150 HA THR 145 HA THR 145 -3.930 19.820 10.328 1151 HB THR 145 HB THR 145 -3.416 22.792 10.187 1152 HG1 THR 145 HG1 THR 145 -3.936 21.312 12.363 1153 HG21 THR 145 HG21 THR 145 -5.878 21.068 9.919 1154 HG22 THR 145 HG22 THR 145 -5.134 22.080 8.679 1155 HG23 THR 145 HG23 THR 145 -5.926 22.823 10.072 1156 H GLU 146 H GLU 146 -4.234 19.747 8.102 1157 HA GLU 146 HA GLU 146 -1.968 19.232 6.588 1158 HB2 GLU 146 HB2 GLU 146 -4.323 18.389 6.196 1159 HB3 GLU 146 HB3 GLU 146 -4.665 19.932 5.428 1160 HG2 GLU 146 HG2 GLU 146 -2.890 19.490 3.789 1161 HG3 GLU 146 HG3 GLU 146 -2.598 17.929 4.549 1162 H VAL 147 H VAL 147 -0.743 20.321 5.206 1163 HA VAL 147 HA VAL 147 -1.215 23.214 4.919 1164 HB VAL 147 HB VAL 147 1.407 22.007 4.192 1165 HG11 VAL 147 HG11 VAL 147 1.150 24.371 3.916 1166 HG12 VAL 147 HG12 VAL 147 2.250 24.085 5.269 1167 HG13 VAL 147 HG13 VAL 147 0.575 24.550 5.573 1168 HG21 VAL 147 HG21 VAL 147 2.210 21.958 6.466 1169 HG22 VAL 147 HG22 VAL 147 0.838 20.867 6.293 1170 HG23 VAL 147 HG23 VAL 147 0.625 22.436 7.068 1171 H LYS 148 H LYS 148 -0.243 24.077 2.824 1172 HA LYS 148 HA LYS 148 -1.365 22.666 0.597 1173 HB2 LYS 148 HB2 LYS 148 0.305 25.188 0.676 1174 HB3 LYS 148 HB3 LYS 148 -0.588 24.595 -0.719 1175 HG2 LYS 148 HG2 LYS 148 -1.792 25.462 1.903 1176 HG3 LYS 148 HG3 LYS 148 -1.779 26.398 0.407 1177 HD2 LYS 148 HD2 LYS 148 -3.098 23.707 0.778 1178 HD3 LYS 148 HD3 LYS 148 -3.931 25.262 0.763 1179 HE2 LYS 148 HE2 LYS 148 -3.302 25.642 -1.524 1180 HE3 LYS 148 HE3 LYS 148 -2.280 24.205 -1.528 1181 HZ1 LYS 148 HZ1 LYS 148 -5.231 24.201 -1.182 1182 HZ2 LYS 148 HZ2 LYS 148 -4.230 22.832 -1.263 1183 HZ3 LYS 148 HZ3 LYS 148 -4.415 23.826 -2.621 1184 H1 JPT 201 H7 UNK 201 -2.687 8.586 28.145 1185 H11 JPT 201 H11 UNK 201 -2.918 6.022 28.098 1186 H12 JPT 201 H12 UNK 201 -1.677 5.709 23.637 1187 H13 JPT 201 H13 UNK 201 -2.120 8.161 24.409 1188 H62 JPT 201 H62 UNK 201 -5.973 8.027 23.828 1189 H61 JPT 201 H61 UNK 201 -7.621 8.113 24.483 1190 H3 JPT 201 H3 UNK 201 -7.305 9.612 22.709 1191 H4 JPT 201 H4 UNK 201 -5.304 9.176 29.981 1192 H2 JPT 201 H2 UNK 201 -8.084 9.301 26.546 Start of MODEL 16 1 HA MET 1 HA MET 1 -5.737 -1.737 -9.631 2 HB2 MET 1 HB2 MET 1 -4.931 -2.305 -7.398 3 HB3 MET 1 HB3 MET 1 -4.737 -3.676 -8.483 4 HG2 MET 1 HG2 MET 1 -2.368 -3.146 -8.724 5 HG3 MET 1 HG3 MET 1 -2.564 -1.778 -7.632 6 HE1 MET 1 HE1 MET 1 -0.382 -4.066 -7.217 7 HE2 MET 1 HE2 MET 1 -0.514 -4.348 -5.483 8 HE3 MET 1 HE3 MET 1 -0.578 -2.703 -6.119 9 H GLN 2 H GLN 2 -5.787 0.042 -8.063 10 HA GLN 2 HA GLN 2 -4.008 2.159 -8.975 11 HB2 GLN 2 HB2 GLN 2 -6.414 2.293 -7.152 12 HB3 GLN 2 HB3 GLN 2 -5.521 3.672 -7.785 13 HG2 GLN 2 HG2 GLN 2 -6.151 3.027 -10.059 14 HG3 GLN 2 HG3 GLN 2 -7.054 1.658 -9.416 15 HE21 GLN 2 HE21 GLN 2 -7.962 3.897 -11.014 16 HE22 GLN 2 HE22 GLN 2 -9.216 4.668 -10.106 17 H ALA 3 H ALA 3 -4.072 3.832 -6.799 18 HA ALA 3 HA ALA 3 -2.754 2.376 -4.632 19 HB1 ALA 3 HB1 ALA 3 -0.972 3.078 -6.099 20 HB2 ALA 3 HB2 ALA 3 -0.936 4.014 -4.607 21 HB3 ALA 3 HB3 ALA 3 -1.581 4.732 -6.082 22 H LYS 4 H LYS 4 -4.493 2.784 -3.348 23 HA LYS 4 HA LYS 4 -4.828 5.582 -2.534 24 HB2 LYS 4 HB2 LYS 4 -7.048 3.560 -2.727 25 HB3 LYS 4 HB3 LYS 4 -7.208 5.224 -2.193 26 HG2 LYS 4 HG2 LYS 4 -6.504 5.960 -4.451 27 HG3 LYS 4 HG3 LYS 4 -6.495 4.272 -4.957 28 HD2 LYS 4 HD2 LYS 4 -8.867 5.868 -3.994 29 HD3 LYS 4 HD3 LYS 4 -8.570 5.296 -5.635 30 HE2 LYS 4 HE2 LYS 4 -10.003 3.670 -4.931 31 HE3 LYS 4 HE3 LYS 4 -8.477 2.955 -4.414 32 HZ1 LYS 4 HZ1 LYS 4 -9.992 2.780 -2.620 33 HZ2 LYS 4 HZ2 LYS 4 -10.446 4.411 -2.740 34 HZ3 LYS 4 HZ3 LYS 4 -8.895 4.002 -2.197 35 HA PRO 5 HA PRO 5 -3.356 3.400 1.125 36 HB2 PRO 5 HB2 PRO 5 -3.134 5.731 2.586 37 HB3 PRO 5 HB3 PRO 5 -1.875 5.073 1.538 38 HG2 PRO 5 HG2 PRO 5 -3.878 7.216 0.979 39 HG3 PRO 5 HG3 PRO 5 -2.164 7.141 0.532 40 HD2 PRO 5 HD2 PRO 5 -4.095 6.618 -1.249 41 HD3 PRO 5 HD3 PRO 5 -2.569 5.709 -1.256 42 H GLN 6 H GLN 6 -4.460 2.554 2.707 43 HA GLN 6 HA GLN 6 -6.499 3.957 4.158 44 HB2 GLN 6 HB2 GLN 6 -8.290 2.337 3.657 45 HB3 GLN 6 HB3 GLN 6 -7.792 3.218 2.220 46 HG2 GLN 6 HG2 GLN 6 -6.300 1.216 1.712 47 HG3 GLN 6 HG3 GLN 6 -7.230 0.368 2.949 48 HE21 GLN 6 HE21 GLN 6 -7.280 1.797 -0.205 49 HE22 GLN 6 HE22 GLN 6 -8.793 1.122 -0.715 50 H ILE 7 H ILE 7 -7.525 2.202 5.769 51 HA ILE 7 HA ILE 7 -5.199 0.810 6.860 52 HB ILE 7 HB ILE 7 -7.852 1.402 8.195 53 HG12 ILE 7 HG12 ILE 7 -6.140 2.850 9.621 54 HG13 ILE 7 HG13 ILE 7 -5.239 2.848 8.110 55 HG21 ILE 7 HG21 ILE 7 -5.301 0.230 9.284 56 HG22 ILE 7 HG22 ILE 7 -6.864 -0.574 9.137 57 HG23 ILE 7 HG23 ILE 7 -6.662 0.764 10.270 58 HD11 ILE 7 HD11 ILE 7 -6.573 4.822 8.224 59 HD12 ILE 7 HD12 ILE 7 -8.028 3.880 8.556 60 HD13 ILE 7 HD13 ILE 7 -7.239 3.764 6.979 61 HA PRO 8 HA PRO 8 -7.131 -3.083 5.505 62 HB2 PRO 8 HB2 PRO 8 -4.513 -4.098 6.398 63 HB3 PRO 8 HB3 PRO 8 -5.321 -4.297 4.839 64 HG2 PRO 8 HG2 PRO 8 -3.180 -2.726 5.097 65 HG3 PRO 8 HG3 PRO 8 -4.522 -2.297 4.018 66 HD2 PRO 8 HD2 PRO 8 -3.907 -1.269 6.772 67 HD3 PRO 8 HD3 PRO 8 -4.413 -0.368 5.324 68 H LYS 9 H LYS 9 -7.351 -5.150 6.762 69 HA LYS 9 HA LYS 9 -7.867 -4.315 9.513 70 HB2 LYS 9 HB2 LYS 9 -9.014 -6.675 8.051 71 HB3 LYS 9 HB3 LYS 9 -9.530 -6.059 9.611 72 HG2 LYS 9 HG2 LYS 9 -9.928 -4.867 6.895 73 HG3 LYS 9 HG3 LYS 9 -11.130 -5.254 8.127 74 HD2 LYS 9 HD2 LYS 9 -9.063 -3.058 8.306 75 HD3 LYS 9 HD3 LYS 9 -10.767 -2.831 7.924 76 HE2 LYS 9 HE2 LYS 9 -9.806 -4.082 10.488 77 HE3 LYS 9 HE3 LYS 9 -10.084 -2.351 10.309 78 HZ1 LYS 9 HZ1 LYS 9 -12.101 -4.505 10.002 79 HZ2 LYS 9 HZ2 LYS 9 -12.386 -2.871 9.671 80 HZ3 LYS 9 HZ3 LYS 9 -12.011 -3.363 11.254 81 H ASP 10 H ASP 10 -5.315 -5.522 8.302 82 HA ASP 10 HA ASP 10 -4.936 -7.775 10.094 83 HB2 ASP 10 HB2 ASP 10 -3.768 -7.951 8.005 84 HB3 ASP 10 HB3 ASP 10 -3.064 -6.348 8.196 85 H LYS 11 H LYS 11 -3.379 -7.744 11.822 86 HA LYS 11 HA LYS 11 -3.690 -5.311 13.335 87 HB2 LYS 11 HB2 LYS 11 -2.308 -7.890 14.103 88 HB3 LYS 11 HB3 LYS 11 -2.775 -6.597 15.199 89 HG2 LYS 11 HG2 LYS 11 -4.696 -8.240 13.563 90 HG3 LYS 11 HG3 LYS 11 -4.302 -8.531 15.259 91 HD2 LYS 11 HD2 LYS 11 -5.187 -6.358 15.869 92 HD3 LYS 11 HD3 LYS 11 -5.498 -5.980 14.174 93 HE2 LYS 11 HE2 LYS 11 -7.546 -6.668 15.302 94 HE3 LYS 11 HE3 LYS 11 -7.096 -7.826 14.052 95 HZ1 LYS 11 HZ1 LYS 11 -7.777 -9.002 15.992 96 HZ2 LYS 11 HZ2 LYS 11 -6.712 -8.129 16.983 97 HZ3 LYS 11 HZ3 LYS 11 -6.103 -9.209 15.823 98 H SER 12 H SER 12 -1.035 -7.028 11.781 99 HA SER 12 HA SER 12 0.912 -5.466 13.288 100 HB2 SER 12 HB2 SER 12 1.300 -7.804 11.415 101 HB3 SER 12 HB3 SER 12 2.545 -7.078 12.436 102 HG SER 12 HG SER 12 1.026 -7.592 14.225 103 H LYS 13 H LYS 13 -0.426 -5.629 10.105 104 HA LYS 13 HA LYS 13 1.687 -4.641 8.580 105 HB2 LYS 13 HB2 LYS 13 -0.049 -3.919 6.965 106 HB3 LYS 13 HB3 LYS 13 -0.279 -5.567 7.529 107 HG2 LYS 13 HG2 LYS 13 -2.417 -4.719 7.568 108 HG3 LYS 13 HG3 LYS 13 -1.897 -4.512 9.239 109 HD2 LYS 13 HD2 LYS 13 -1.125 -2.151 8.298 110 HD3 LYS 13 HD3 LYS 13 -2.410 -2.479 7.134 111 HE2 LYS 13 HE2 LYS 13 -3.239 -1.200 9.050 112 HE3 LYS 13 HE3 LYS 13 -3.998 -2.790 8.963 113 HZ1 LYS 13 HZ1 LYS 13 -3.150 -1.971 11.221 114 HZ2 LYS 13 HZ2 LYS 13 -1.603 -2.353 10.638 115 HZ3 LYS 13 HZ3 LYS 13 -2.790 -3.560 10.760 116 H VAL 14 H VAL 14 2.269 -2.650 7.855 117 HA VAL 14 HA VAL 14 1.305 -0.332 9.372 118 HB VAL 14 HB VAL 14 3.708 -0.693 9.513 119 HG11 VAL 14 HG11 VAL 14 5.158 -0.528 7.553 120 HG12 VAL 14 HG12 VAL 14 3.738 -0.448 6.512 121 HG13 VAL 14 HG13 VAL 14 4.068 -1.911 7.440 122 HG21 VAL 14 HG21 VAL 14 4.491 1.495 8.751 123 HG22 VAL 14 HG22 VAL 14 2.913 1.603 9.533 124 HG23 VAL 14 HG23 VAL 14 3.034 1.672 7.774 125 H ALA 15 H ALA 15 0.413 1.418 8.306 126 HA ALA 15 HA ALA 15 -0.104 1.030 5.424 127 HB1 ALA 15 HB1 ALA 15 -2.122 0.874 6.809 128 HB2 ALA 15 HB2 ALA 15 -2.183 2.272 5.736 129 HB3 ALA 15 HB3 ALA 15 -1.805 2.488 7.446 130 H GLY 16 H GLY 16 0.888 3.277 7.908 131 HA2 GLY 16 HA2 GLY 16 1.804 5.103 5.809 132 HA3 GLY 16 HA3 GLY 16 0.790 5.740 7.099 133 H TYR 17 H TYR 17 3.365 6.683 6.612 134 HA TYR 17 HA TYR 17 4.777 5.716 9.015 135 HB2 TYR 17 HB2 TYR 17 6.092 6.903 6.562 136 HB3 TYR 17 HB3 TYR 17 6.885 6.144 7.939 137 HD1 TYR 17 HD1 TYR 17 5.131 5.582 4.797 138 HD2 TYR 17 HD2 TYR 17 6.809 3.698 8.223 139 HE1 TYR 17 HE1 TYR 17 5.046 3.416 3.641 140 HE2 TYR 17 HE2 TYR 17 6.729 1.526 7.074 141 HH TYR 17 HH TYR 17 6.068 1.253 3.705 142 H ILE 18 H ILE 18 5.621 7.285 10.387 143 HA ILE 18 HA ILE 18 4.687 10.012 9.810 144 HB ILE 18 HB ILE 18 3.750 9.075 11.858 145 HG12 ILE 18 HG12 ILE 18 4.467 10.854 13.446 146 HG13 ILE 18 HG13 ILE 18 5.788 11.251 12.353 147 HG21 ILE 18 HG21 ILE 18 5.471 7.487 12.438 148 HG22 ILE 18 HG22 ILE 18 5.168 8.572 13.796 149 HG23 ILE 18 HG23 ILE 18 6.597 8.800 12.787 150 HD11 ILE 18 HD11 ILE 18 4.175 11.831 10.618 151 HD12 ILE 18 HD12 ILE 18 3.933 12.786 12.080 152 HD13 ILE 18 HD13 ILE 18 2.855 11.439 11.718 153 H GLU 19 H GLU 19 6.154 11.437 9.215 154 HA GLU 19 HA GLU 19 8.943 10.996 10.040 155 HB2 GLU 19 HB2 GLU 19 8.164 12.094 7.339 156 HB3 GLU 19 HB3 GLU 19 9.736 11.498 7.854 157 HG2 GLU 19 HG2 GLU 19 8.707 9.228 8.078 158 HG3 GLU 19 HG3 GLU 19 7.247 9.883 7.349 159 H ILE 20 H ILE 20 9.527 12.576 11.328 160 HA ILE 20 HA ILE 20 8.762 15.346 10.680 161 HB ILE 20 HB ILE 20 8.797 14.194 13.479 162 HG12 ILE 20 HG12 ILE 20 6.416 15.124 11.863 163 HG13 ILE 20 HG13 ILE 20 6.868 13.435 12.063 164 HG21 ILE 20 HG21 ILE 20 9.461 16.528 13.407 165 HG22 ILE 20 HG22 ILE 20 7.853 16.377 14.116 166 HG23 ILE 20 HG23 ILE 20 8.034 16.927 12.450 167 HD11 ILE 20 HD11 ILE 20 6.030 15.337 14.236 168 HD12 ILE 20 HD12 ILE 20 6.577 13.680 14.493 169 HD13 ILE 20 HD13 ILE 20 5.097 13.988 13.585 170 HA PRO 21 HA PRO 21 13.251 15.333 10.714 171 HB2 PRO 21 HB2 PRO 21 12.855 18.232 10.282 172 HB3 PRO 21 HB3 PRO 21 13.758 17.062 9.314 173 HG2 PRO 21 HG2 PRO 21 11.417 18.029 8.470 174 HG3 PRO 21 HG3 PRO 21 11.873 16.340 8.191 175 HD2 PRO 21 HD2 PRO 21 10.003 17.484 10.222 176 HD3 PRO 21 HD3 PRO 21 9.850 15.999 9.260 177 H ASP 22 H ASP 22 11.502 17.997 12.306 178 HA ASP 22 HA ASP 22 13.646 18.833 13.923 179 HB2 ASP 22 HB2 ASP 22 10.676 19.225 14.124 180 HB3 ASP 22 HB3 ASP 22 11.755 19.817 15.384 181 H ALA 23 H ALA 23 11.341 16.268 14.333 182 HA ALA 23 HA ALA 23 12.046 16.025 17.166 183 HB1 ALA 23 HB1 ALA 23 9.661 16.044 16.625 184 HB2 ALA 23 HB2 ALA 23 10.152 14.504 17.329 185 HB3 ALA 23 HB3 ALA 23 9.884 14.631 15.592 186 H ASP 24 H ASP 24 13.242 15.070 14.344 187 HA ASP 24 HA ASP 24 14.619 13.436 13.619 188 HB2 ASP 24 HB2 ASP 24 15.686 13.925 15.856 189 HB3 ASP 24 HB3 ASP 24 14.788 12.562 16.511 190 H ILE 25 H ILE 25 11.783 13.034 13.774 191 HA ILE 25 HA ILE 25 11.438 10.217 14.473 192 HB ILE 25 HB ILE 25 9.494 12.447 13.900 193 HG12 ILE 25 HG12 ILE 25 9.924 10.693 16.330 194 HG13 ILE 25 HG13 ILE 25 10.487 12.351 16.153 195 HG21 ILE 25 HG21 ILE 25 8.691 10.385 12.828 196 HG22 ILE 25 HG22 ILE 25 7.671 10.867 14.190 197 HG23 ILE 25 HG23 ILE 25 8.822 9.542 14.375 198 HD11 ILE 25 HD11 ILE 25 8.160 13.102 15.978 199 HD12 ILE 25 HD12 ILE 25 8.490 12.277 17.500 200 HD13 ILE 25 HD13 ILE 25 7.621 11.439 16.214 201 H LYS 26 H LYS 26 11.438 8.709 12.916 202 HA LYS 26 HA LYS 26 9.861 9.146 10.569 203 HB2 LYS 26 HB2 LYS 26 12.239 9.918 10.021 204 HB3 LYS 26 HB3 LYS 26 12.691 8.222 10.145 205 HG2 LYS 26 HG2 LYS 26 11.379 7.620 8.307 206 HG3 LYS 26 HG3 LYS 26 10.480 9.141 8.347 207 HD2 LYS 26 HD2 LYS 26 11.986 9.378 6.572 208 HD3 LYS 26 HD3 LYS 26 12.690 10.274 7.924 209 HE2 LYS 26 HE2 LYS 26 14.184 8.439 8.412 210 HE3 LYS 26 HE3 LYS 26 13.439 7.456 7.152 211 HZ1 LYS 26 HZ1 LYS 26 15.541 8.463 6.451 212 HZ2 LYS 26 HZ2 LYS 26 14.886 10.006 6.675 213 HZ3 LYS 26 HZ3 LYS 26 14.242 8.979 5.489 214 H GLU 27 H GLU 27 8.645 7.582 11.710 215 HA GLU 27 HA GLU 27 9.723 4.857 11.544 216 HB2 GLU 27 HB2 GLU 27 8.396 6.148 13.929 217 HB3 GLU 27 HB3 GLU 27 8.542 4.407 13.749 218 HG2 GLU 27 HG2 GLU 27 10.851 6.337 13.837 219 HG3 GLU 27 HG3 GLU 27 10.274 5.373 15.195 220 HA PRO 28 HA PRO 28 5.804 3.771 9.812 221 HB2 PRO 28 HB2 PRO 28 5.436 1.267 10.810 222 HB3 PRO 28 HB3 PRO 28 6.600 1.640 9.533 223 HG2 PRO 28 HG2 PRO 28 7.064 1.304 12.474 224 HG3 PRO 28 HG3 PRO 28 8.004 0.664 11.113 225 HD2 PRO 28 HD2 PRO 28 8.785 2.848 12.466 226 HD3 PRO 28 HD3 PRO 28 9.051 2.684 10.717 227 H VAL 29 H VAL 29 3.659 3.822 10.235 228 HA VAL 29 HA VAL 29 2.831 4.050 13.050 229 HB VAL 29 HB VAL 29 1.496 5.049 10.524 230 HG11 VAL 29 HG11 VAL 29 0.581 5.277 13.387 231 HG12 VAL 29 HG12 VAL 29 -0.195 4.345 12.105 232 HG13 VAL 29 HG13 VAL 29 -0.150 6.106 12.012 233 HG21 VAL 29 HG21 VAL 29 2.754 6.547 12.822 234 HG22 VAL 29 HG22 VAL 29 1.923 7.276 11.446 235 HG23 VAL 29 HG23 VAL 29 3.422 6.381 11.197 236 H TYR 30 H TYR 30 1.627 2.468 13.880 237 HA TYR 30 HA TYR 30 0.653 0.386 12.082 238 HB2 TYR 30 HB2 TYR 30 0.843 0.424 15.103 239 HB3 TYR 30 HB3 TYR 30 0.347 -0.957 14.126 240 HD1 TYR 30 HD1 TYR 30 3.033 0.451 15.828 241 HD2 TYR 30 HD2 TYR 30 2.114 -1.531 12.178 242 HE1 TYR 30 HE1 TYR 30 5.389 -0.216 15.601 243 HE2 TYR 30 HE2 TYR 30 4.465 -2.201 11.937 244 HH TYR 30 HH TYR 30 6.665 -1.505 12.714 245 HA PRO 31 HA PRO 31 -3.330 2.366 12.704 246 HB2 PRO 31 HB2 PRO 31 -4.180 1.359 10.195 247 HB3 PRO 31 HB3 PRO 31 -3.588 2.980 10.544 248 HG2 PRO 31 HG2 PRO 31 -2.308 1.097 8.948 249 HG3 PRO 31 HG3 PRO 31 -1.555 2.539 9.648 250 HD2 PRO 31 HD2 PRO 31 -1.479 -0.293 10.588 251 HD3 PRO 31 HD3 PRO 31 -0.209 0.951 10.633 252 H GLY 32 H GLY 32 -5.447 1.609 13.062 253 HA2 GLY 32 HA2 GLY 32 -6.895 -0.446 12.516 254 HA3 GLY 32 HA3 GLY 32 -5.613 -1.311 13.354 255 HA PRO 33 HA PRO 33 -8.787 -0.309 16.504 256 HB2 PRO 33 HB2 PRO 33 -8.603 -2.609 17.866 257 HB3 PRO 33 HB3 PRO 33 -9.464 -2.496 16.338 258 HG2 PRO 33 HG2 PRO 33 -6.702 -3.505 16.855 259 HG3 PRO 33 HG3 PRO 33 -7.981 -4.226 15.860 260 HD2 PRO 33 HD2 PRO 33 -5.949 -2.751 14.822 261 HD3 PRO 33 HD3 PRO 33 -7.564 -2.821 14.088 262 H ALA 34 H ALA 34 -5.748 0.104 16.496 263 HA ALA 34 HA ALA 34 -4.028 0.613 17.909 264 HB1 ALA 34 HB1 ALA 34 -5.642 2.248 18.761 265 HB2 ALA 34 HB2 ALA 34 -4.612 1.632 20.055 266 HB3 ALA 34 HB3 ALA 34 -6.268 1.045 19.889 267 H THR 35 H THR 35 -4.339 -1.989 17.519 268 HA THR 35 HA THR 35 -4.991 -3.675 19.606 269 HB THR 35 HB THR 35 -2.725 -4.471 17.854 270 HG1 THR 35 HG1 THR 35 -5.361 -4.053 16.845 271 HG21 THR 35 HG21 THR 35 -4.077 -6.486 17.602 272 HG22 THR 35 HG22 THR 35 -5.419 -5.714 18.447 273 HG23 THR 35 HG23 THR 35 -3.923 -6.079 19.312 274 HA PRO 36 HA PRO 36 -2.015 -2.538 22.704 275 HB2 PRO 36 HB2 PRO 36 -2.582 -5.340 23.566 276 HB3 PRO 36 HB3 PRO 36 -2.559 -3.851 24.520 277 HG2 PRO 36 HG2 PRO 36 -4.866 -4.934 23.797 278 HG3 PRO 36 HG3 PRO 36 -4.646 -3.175 23.752 279 HD2 PRO 36 HD2 PRO 36 -4.693 -5.140 21.508 280 HD3 PRO 36 HD3 PRO 36 -5.293 -3.470 21.563 281 H GLU 37 H GLU 37 -1.821 -5.708 21.123 282 HA GLU 37 HA GLU 37 0.802 -6.355 21.861 283 HB2 GLU 37 HB2 GLU 37 -0.670 -7.088 19.320 284 HB3 GLU 37 HB3 GLU 37 0.762 -7.895 19.940 285 HG2 GLU 37 HG2 GLU 37 -0.458 -8.648 21.883 286 HG3 GLU 37 HG3 GLU 37 -1.890 -7.762 21.357 287 H GLN 38 H GLN 38 -0.432 -4.399 19.203 288 HA GLN 38 HA GLN 38 2.234 -4.138 18.056 289 HB2 GLN 38 HB2 GLN 38 -0.375 -2.926 17.122 290 HB3 GLN 38 HB3 GLN 38 1.133 -2.986 16.220 291 HG2 GLN 38 HG2 GLN 38 -0.564 -5.336 17.031 292 HG3 GLN 38 HG3 GLN 38 -0.399 -4.665 15.410 293 HE21 GLN 38 HE21 GLN 38 0.181 -7.359 16.487 294 HE22 GLN 38 HE22 GLN 38 1.838 -7.670 16.103 295 H LEU 39 H LEU 39 -0.121 -2.321 19.871 296 HA LEU 39 HA LEU 39 1.129 0.209 19.641 297 HB2 LEU 39 HB2 LEU 39 -1.192 0.078 20.202 298 HB3 LEU 39 HB3 LEU 39 -0.869 -0.981 21.561 299 HG LEU 39 HG LEU 39 0.337 0.893 22.642 300 HD11 LEU 39 HD11 LEU 39 -0.871 2.506 20.404 301 HD12 LEU 39 HD12 LEU 39 0.848 2.225 20.682 302 HD13 LEU 39 HD13 LEU 39 -0.090 3.171 21.837 303 HD21 LEU 39 HD21 LEU 39 -2.560 1.399 21.984 304 HD22 LEU 39 HD22 LEU 39 -1.681 2.054 23.366 305 HD23 LEU 39 HD23 LEU 39 -1.961 0.317 23.240 306 H ASN 40 H ASN 40 1.515 -2.581 21.698 307 HA ASN 40 HA ASN 40 3.160 -1.381 23.670 308 HB2 ASN 40 HB2 ASN 40 2.602 -4.185 22.799 309 HB3 ASN 40 HB3 ASN 40 4.009 -3.897 23.811 310 HD21 ASN 40 HD21 ASN 40 1.670 -5.415 24.462 311 HD22 ASN 40 HD22 ASN 40 0.927 -4.649 25.827 312 H ARG 41 H ARG 41 3.731 -2.455 20.433 313 HA ARG 41 HA ARG 41 6.601 -2.575 20.715 314 HB2 ARG 41 HB2 ARG 41 5.185 -2.292 18.082 315 HB3 ARG 41 HB3 ARG 41 6.688 -3.130 18.437 316 HG2 ARG 41 HG2 ARG 41 5.306 -4.786 19.742 317 HG3 ARG 41 HG3 ARG 41 3.886 -4.006 19.043 318 HD2 ARG 41 HD2 ARG 41 4.316 -5.813 17.619 319 HD3 ARG 41 HD3 ARG 41 4.996 -4.419 16.779 320 HE ARG 41 HE ARG 41 6.568 -6.422 18.282 321 HH11 ARG 41 HH11 ARG 41 6.249 -4.147 15.624 322 HH12 ARG 41 HH12 ARG 41 7.882 -4.381 15.074 323 HH21 ARG 41 HH21 ARG 41 8.669 -6.766 17.523 324 HH22 ARG 41 HH22 ARG 41 9.258 -5.891 16.145 325 H GLY 42 H GLY 42 4.271 -0.427 19.112 326 HA2 GLY 42 HA2 GLY 42 6.224 1.747 19.366 327 HA3 GLY 42 HA3 GLY 42 5.529 1.391 17.795 328 H VAL 43 H VAL 43 3.875 2.615 17.231 329 HA VAL 43 HA VAL 43 2.030 3.617 19.282 330 HB VAL 43 HB VAL 43 3.355 5.321 17.153 331 HG11 VAL 43 HG11 VAL 43 2.056 7.183 18.065 332 HG12 VAL 43 HG12 VAL 43 1.217 6.066 19.141 333 HG13 VAL 43 HG13 VAL 43 1.011 5.930 17.395 334 HG21 VAL 43 HG21 VAL 43 4.211 6.620 19.053 335 HG22 VAL 43 HG22 VAL 43 4.781 4.951 19.086 336 HG23 VAL 43 HG23 VAL 43 3.480 5.459 20.163 337 H SER 44 H SER 44 -0.084 3.858 18.579 338 HA SER 44 HA SER 44 -0.657 3.054 15.810 339 HB2 SER 44 HB2 SER 44 -2.137 2.122 18.284 340 HB3 SER 44 HB3 SER 44 -2.495 1.659 16.621 341 HG SER 44 HG SER 44 -0.069 1.016 16.777 342 H PHE 45 H PHE 45 -3.219 3.416 15.499 343 HA PHE 45 HA PHE 45 -3.700 6.203 15.952 344 HB2 PHE 45 HB2 PHE 45 -5.383 4.007 14.753 345 HB3 PHE 45 HB3 PHE 45 -5.997 5.643 14.970 346 HD1 PHE 45 HD1 PHE 45 -3.443 7.119 14.296 347 HD2 PHE 45 HD2 PHE 45 -5.431 3.860 12.412 348 HE1 PHE 45 HE1 PHE 45 -2.484 7.789 12.131 349 HE2 PHE 45 HE2 PHE 45 -4.470 4.520 10.248 350 HZ PHE 45 HZ PHE 45 -2.995 6.489 10.106 351 H ALA 46 H ALA 46 -6.099 6.729 16.708 352 HA ALA 46 HA ALA 46 -6.197 5.931 19.471 353 HB1 ALA 46 HB1 ALA 46 -8.100 7.652 17.879 354 HB2 ALA 46 HB2 ALA 46 -6.712 8.228 18.804 355 HB3 ALA 46 HB3 ALA 46 -8.076 7.480 19.634 356 H GLU 47 H GLU 47 -8.265 5.534 16.613 357 HA GLU 47 HA GLU 47 -9.384 3.111 17.851 358 HB2 GLU 47 HB2 GLU 47 -10.994 5.270 16.468 359 HB3 GLU 47 HB3 GLU 47 -11.624 3.701 16.946 360 HG2 GLU 47 HG2 GLU 47 -11.150 4.242 19.294 361 HG3 GLU 47 HG3 GLU 47 -10.576 5.833 18.794 362 H GLU 48 H GLU 48 -10.499 1.734 16.236 363 HA GLU 48 HA GLU 48 -8.988 1.553 13.782 364 HB2 GLU 48 HB2 GLU 48 -9.685 -0.447 15.079 365 HB3 GLU 48 HB3 GLU 48 -11.367 -0.060 14.747 366 HG2 GLU 48 HG2 GLU 48 -9.957 -0.160 12.281 367 HG3 GLU 48 HG3 GLU 48 -9.579 -1.608 13.213 368 H ASN 49 H ASN 49 -11.624 3.300 14.762 369 HA ASN 49 HA ASN 49 -13.360 2.953 12.522 370 HB2 ASN 49 HB2 ASN 49 -14.116 3.597 14.812 371 HB3 ASN 49 HB3 ASN 49 -13.349 5.164 14.580 372 HD21 ASN 49 HD21 ASN 49 -15.988 3.096 13.655 373 HD22 ASN 49 HD22 ASN 49 -16.942 4.326 12.900 374 H GLU 50 H GLU 50 -10.595 4.918 13.111 375 HA GLU 50 HA GLU 50 -11.448 7.043 11.368 376 HB2 GLU 50 HB2 GLU 50 -9.198 7.985 11.913 377 HB3 GLU 50 HB3 GLU 50 -10.253 7.738 13.287 378 HG2 GLU 50 HG2 GLU 50 -9.014 5.550 13.631 379 HG3 GLU 50 HG3 GLU 50 -7.835 6.170 12.474 380 H SER 51 H SER 51 -9.451 7.868 9.909 381 HA SER 51 HA SER 51 -8.688 5.622 8.188 382 HB2 SER 51 HB2 SER 51 -10.246 8.061 7.300 383 HB3 SER 51 HB3 SER 51 -9.538 6.871 6.210 384 HG SER 51 HG SER 51 -11.070 5.742 8.173 385 H LEU 52 H LEU 52 -7.376 6.560 6.243 386 HA LEU 52 HA LEU 52 -5.245 8.160 7.394 387 HB2 LEU 52 HB2 LEU 52 -5.458 6.735 4.739 388 HB3 LEU 52 HB3 LEU 52 -4.038 7.601 5.289 389 HG LEU 52 HG LEU 52 -5.219 5.146 6.596 390 HD11 LEU 52 HD11 LEU 52 -4.137 4.653 4.475 391 HD12 LEU 52 HD12 LEU 52 -3.180 4.044 5.824 392 HD13 LEU 52 HD13 LEU 52 -2.693 5.521 4.995 393 HD21 LEU 52 HD21 LEU 52 -2.714 6.693 7.257 394 HD22 LEU 52 HD22 LEU 52 -3.230 5.181 8.006 395 HD23 LEU 52 HD23 LEU 52 -4.188 6.647 8.225 396 H ASP 53 H ASP 53 -7.964 8.594 5.406 397 HA ASP 53 HA ASP 53 -7.079 11.323 4.852 398 HB2 ASP 53 HB2 ASP 53 -6.912 9.897 2.792 399 HB3 ASP 53 HB3 ASP 53 -8.660 9.730 2.848 400 H ASP 54 H ASP 54 -8.286 11.284 6.857 401 HA ASP 54 HA ASP 54 -11.050 12.102 6.244 402 HB2 ASP 54 HB2 ASP 54 -10.992 10.084 7.736 403 HB3 ASP 54 HB3 ASP 54 -10.091 11.032 8.916 404 H GLN 55 H GLN 55 -11.807 13.902 7.678 405 HA GLN 55 HA GLN 55 -9.923 16.007 7.626 406 HB2 GLN 55 HB2 GLN 55 -12.469 16.183 7.464 407 HB3 GLN 55 HB3 GLN 55 -12.495 16.009 9.213 408 HG2 GLN 55 HG2 GLN 55 -10.661 18.073 8.264 409 HG3 GLN 55 HG3 GLN 55 -12.343 18.368 7.843 410 HE21 GLN 55 HE21 GLN 55 -10.050 18.032 10.434 411 HE22 GLN 55 HE22 GLN 55 -11.061 18.689 11.677 412 H ASN 56 H ASN 56 -10.943 13.757 10.109 413 HA ASN 56 HA ASN 56 -8.919 14.979 11.856 414 HB2 ASN 56 HB2 ASN 56 -10.181 14.712 13.812 415 HB3 ASN 56 HB3 ASN 56 -11.303 15.382 12.646 416 HD21 ASN 56 HD21 ASN 56 -11.842 12.841 11.293 417 HD22 ASN 56 HD22 ASN 56 -12.779 11.911 12.407 418 H ILE 57 H ILE 57 -7.332 13.722 12.413 419 HA ILE 57 HA ILE 57 -7.748 10.814 12.550 420 HB ILE 57 HB ILE 57 -5.322 12.155 11.323 421 HG12 ILE 57 HG12 ILE 57 -7.482 10.559 9.930 422 HG13 ILE 57 HG13 ILE 57 -7.427 12.318 9.950 423 HG21 ILE 57 HG21 ILE 57 -4.805 10.033 12.412 424 HG22 ILE 57 HG22 ILE 57 -4.691 9.874 10.658 425 HG23 ILE 57 HG23 ILE 57 -6.100 9.243 11.510 426 HD11 ILE 57 HD11 ILE 57 -5.344 10.499 8.775 427 HD12 ILE 57 HD12 ILE 57 -5.293 12.264 8.783 428 HD13 ILE 57 HD13 ILE 57 -6.552 11.422 7.878 429 H SER 58 H SER 58 -6.615 9.812 14.238 430 HA SER 58 HA SER 58 -5.086 11.643 15.970 431 HB2 SER 58 HB2 SER 58 -7.200 9.705 16.936 432 HB3 SER 58 HB3 SER 58 -6.271 10.835 17.924 433 HG SER 58 HG SER 58 -8.111 11.513 15.872 434 H ILE 59 H ILE 59 -3.123 10.840 16.234 435 HA ILE 59 HA ILE 59 -2.768 7.923 16.280 436 HB ILE 59 HB ILE 59 -0.598 10.029 16.128 437 HG12 ILE 59 HG12 ILE 59 -1.904 8.447 13.898 438 HG13 ILE 59 HG13 ILE 59 -2.049 10.182 14.155 439 HG21 ILE 59 HG21 ILE 59 -0.577 7.060 15.578 440 HG22 ILE 59 HG22 ILE 59 0.137 7.866 16.976 441 HG23 ILE 59 HG23 ILE 59 0.788 8.154 15.363 442 HD11 ILE 59 HD11 ILE 59 0.335 10.449 13.722 443 HD12 ILE 59 HD12 ILE 59 -0.486 9.676 12.365 444 HD13 ILE 59 HD13 ILE 59 0.487 8.711 13.476 445 H ALA 60 H ALA 60 -2.626 6.984 18.209 446 HA ALA 60 HA ALA 60 -2.345 8.692 20.563 447 HB1 ALA 60 HB1 ALA 60 -3.246 5.823 20.337 448 HB2 ALA 60 HB2 ALA 60 -4.303 7.233 20.431 449 HB3 ALA 60 HB3 ALA 60 -3.277 6.805 21.801 450 H GLY 61 H GLY 61 -0.280 8.977 21.122 451 HA2 GLY 61 HA2 GLY 61 1.526 6.655 21.080 452 HA3 GLY 61 HA3 GLY 61 2.026 8.340 21.122 453 H HIS 62 H HIS 62 2.628 5.992 22.849 454 HA HIS 62 HA HIS 62 1.941 7.247 25.417 455 HB2 HIS 62 HB2 HIS 62 1.989 5.035 26.479 456 HB3 HIS 62 HB3 HIS 62 0.777 5.082 25.207 457 HD1 HIS 62 HD1 HIS 62 3.043 2.800 26.522 458 HD2 HIS 62 HD2 HIS 62 2.231 4.052 22.637 459 HE1 HIS 62 HE1 HIS 62 3.927 0.987 25.021 460 H THR 63 H THR 63 3.632 7.718 26.728 461 HA THR 63 HA THR 63 6.262 7.448 25.586 462 HB THR 63 HB THR 63 5.492 8.670 28.242 463 HG1 THR 63 HG1 THR 63 5.738 10.637 26.783 464 HG21 THR 63 HG21 THR 63 7.899 8.208 27.974 465 HG22 THR 63 HG22 THR 63 7.571 9.940 27.968 466 HG23 THR 63 HG23 THR 63 7.896 9.100 26.453 467 H PHE 64 H PHE 64 7.420 5.696 25.841 468 HA PHE 64 HA PHE 64 7.173 4.173 28.349 469 HB2 PHE 64 HB2 PHE 64 6.430 3.047 26.197 470 HB3 PHE 64 HB3 PHE 64 8.111 3.103 25.683 471 HD1 PHE 64 HD1 PHE 64 6.740 2.358 29.055 472 HD2 PHE 64 HD2 PHE 64 8.735 0.873 25.602 473 HE1 PHE 64 HE1 PHE 64 7.135 0.220 30.208 474 HE2 PHE 64 HE2 PHE 64 9.135 -1.267 26.747 475 HZ PHE 64 HZ PHE 64 8.334 -1.597 29.054 476 H ILE 65 H ILE 65 8.817 4.580 29.622 477 HA ILE 65 HA ILE 65 11.068 6.055 28.977 478 HB ILE 65 HB ILE 65 10.565 4.192 31.291 479 HG12 ILE 65 HG12 ILE 65 9.023 6.054 31.197 480 HG13 ILE 65 HG13 ILE 65 10.164 6.324 32.510 481 HG21 ILE 65 HG21 ILE 65 12.397 5.301 32.456 482 HG22 ILE 65 HG22 ILE 65 12.775 6.219 30.997 483 HG23 ILE 65 HG23 ILE 65 12.962 4.464 31.008 484 HD11 ILE 65 HD11 ILE 65 11.409 7.883 31.116 485 HD12 ILE 65 HD12 ILE 65 9.719 8.366 31.267 486 HD13 ILE 65 HD13 ILE 65 10.290 7.595 29.785 487 H ASP 66 H ASP 66 10.645 2.583 28.963 488 HA ASP 66 HA ASP 66 13.287 1.743 29.036 489 HB2 ASP 66 HB2 ASP 66 11.413 0.212 29.254 490 HB3 ASP 66 HB3 ASP 66 10.949 0.514 27.584 491 H ARG 67 H ARG 67 11.390 2.852 26.255 492 HA ARG 67 HA ARG 67 13.729 2.339 24.548 493 HB2 ARG 67 HB2 ARG 67 10.838 2.713 23.754 494 HB3 ARG 67 HB3 ARG 67 12.171 2.430 22.643 495 HG2 ARG 67 HG2 ARG 67 12.566 0.249 23.650 496 HG3 ARG 67 HG3 ARG 67 11.249 0.534 24.791 497 HD2 ARG 67 HD2 ARG 67 9.692 0.731 22.888 498 HD3 ARG 67 HD3 ARG 67 11.021 0.349 21.793 499 HE ARG 67 HE ARG 67 11.167 -1.817 23.028 500 HH11 ARG 67 HH11 ARG 67 8.190 -0.010 22.849 501 HH12 ARG 67 HH12 ARG 67 7.170 -1.389 23.125 502 HH21 ARG 67 HH21 ARG 67 9.857 -3.645 23.397 503 HH22 ARG 67 HH22 ARG 67 8.125 -3.465 23.485 504 HA PRO 68 HA PRO 68 14.001 6.823 24.693 505 HB2 PRO 68 HB2 PRO 68 16.627 6.485 23.516 506 HB3 PRO 68 HB3 PRO 68 16.206 7.016 25.144 507 HG2 PRO 68 HG2 PRO 68 17.427 4.639 24.598 508 HG3 PRO 68 HG3 PRO 68 16.395 4.906 26.014 509 HD2 PRO 68 HD2 PRO 68 15.742 3.572 23.415 510 HD3 PRO 68 HD3 PRO 68 15.276 3.113 25.069 511 H ASN 69 H ASN 69 14.009 4.713 22.045 512 HA ASN 69 HA ASN 69 13.838 6.913 20.169 513 HB2 ASN 69 HB2 ASN 69 15.343 5.420 18.631 514 HB3 ASN 69 HB3 ASN 69 16.072 6.531 19.781 515 HD21 ASN 69 HD21 ASN 69 15.447 3.216 18.993 516 HD22 ASN 69 HD22 ASN 69 16.535 2.526 20.146 517 H TYR 70 H TYR 70 11.613 6.212 20.346 518 HA TYR 70 HA TYR 70 11.164 4.385 18.101 519 HB2 TYR 70 HB2 TYR 70 9.044 3.602 19.087 520 HB3 TYR 70 HB3 TYR 70 10.417 3.186 20.105 521 HD1 TYR 70 HD1 TYR 70 10.602 4.016 22.320 522 HD2 TYR 70 HD2 TYR 70 7.489 5.422 19.787 523 HE1 TYR 70 HE1 TYR 70 9.522 5.090 24.244 524 HE2 TYR 70 HE2 TYR 70 6.401 6.491 21.711 525 HH TYR 70 HH TYR 70 6.330 6.313 24.105 526 H GLN 71 H GLN 71 8.336 4.949 18.001 527 HA GLN 71 HA GLN 71 8.359 6.995 16.179 528 HB2 GLN 71 HB2 GLN 71 6.069 5.975 17.853 529 HB3 GLN 71 HB3 GLN 71 5.859 7.114 16.533 530 HG2 GLN 71 HG2 GLN 71 5.328 4.941 15.730 531 HG3 GLN 71 HG3 GLN 71 6.858 5.424 15.003 532 HE21 GLN 71 HE21 GLN 71 7.417 3.282 14.586 533 HE22 GLN 71 HE22 GLN 71 7.928 2.211 15.841 534 H PHE 72 H PHE 72 6.753 7.430 19.370 535 HA PHE 72 HA PHE 72 7.018 10.317 18.879 536 HB2 PHE 72 HB2 PHE 72 4.961 8.713 20.368 537 HB3 PHE 72 HB3 PHE 72 5.118 10.447 20.603 538 HD1 PHE 72 HD1 PHE 72 2.583 9.705 19.814 539 HD2 PHE 72 HD2 PHE 72 6.023 10.098 17.339 540 HE1 PHE 72 HE1 PHE 72 1.133 10.096 17.863 541 HE2 PHE 72 HE2 PHE 72 4.580 10.487 15.386 542 HZ PHE 72 HZ PHE 72 2.131 10.487 15.647 543 H THR 73 H THR 73 9.142 8.751 20.189 544 HA THR 73 HA THR 73 9.011 9.301 22.994 545 HB THR 73 HB THR 73 11.616 8.948 21.566 546 HG1 THR 73 HG1 THR 73 10.292 6.644 22.295 547 HG21 THR 73 HG21 THR 73 10.512 7.907 24.172 548 HG22 THR 73 HG22 THR 73 11.625 9.261 23.987 549 HG23 THR 73 HG23 THR 73 12.144 7.630 23.567 550 H ASN 74 H ASN 74 10.215 11.017 20.191 551 HA ASN 74 HA ASN 74 11.299 13.124 21.953 552 HB2 ASN 74 HB2 ASN 74 12.967 11.818 20.568 553 HB3 ASN 74 HB3 ASN 74 12.198 12.487 19.134 554 HD21 ASN 74 HD21 ASN 74 14.030 13.549 18.470 555 HD22 ASN 74 HD22 ASN 74 14.647 14.946 19.282 556 H LEU 75 H LEU 75 8.558 12.852 20.950 557 HA LEU 75 HA LEU 75 8.171 14.472 18.656 558 HB2 LEU 75 HB2 LEU 75 6.545 12.798 19.424 559 HB3 LEU 75 HB3 LEU 75 6.222 13.769 20.847 560 HG LEU 75 HG LEU 75 5.318 15.561 19.428 561 HD11 LEU 75 HD11 LEU 75 6.647 15.164 17.425 562 HD12 LEU 75 HD12 LEU 75 4.925 15.149 17.048 563 HD13 LEU 75 HD13 LEU 75 5.814 13.631 17.165 564 HD21 LEU 75 HD21 LEU 75 4.117 12.850 18.904 565 HD22 LEU 75 HD22 LEU 75 3.292 14.397 18.706 566 HD23 LEU 75 HD23 LEU 75 3.810 13.871 20.309 567 H LYS 76 H LYS 76 8.738 15.240 21.966 568 HA LYS 76 HA LYS 76 7.404 17.763 21.973 569 HB2 LYS 76 HB2 LYS 76 8.660 18.107 24.100 570 HB3 LYS 76 HB3 LYS 76 7.730 16.618 24.050 571 HG2 LYS 76 HG2 LYS 76 9.616 15.698 24.826 572 HG3 LYS 76 HG3 LYS 76 10.118 15.746 23.138 573 HD2 LYS 76 HD2 LYS 76 11.291 17.813 23.487 574 HD3 LYS 76 HD3 LYS 76 10.670 17.935 25.135 575 HE2 LYS 76 HE2 LYS 76 12.826 17.108 25.428 576 HE3 LYS 76 HE3 LYS 76 11.807 15.673 25.509 577 HZ1 LYS 76 HZ1 LYS 76 13.302 16.564 23.103 578 HZ2 LYS 76 HZ2 LYS 76 12.373 15.152 23.242 579 HZ3 LYS 76 HZ3 LYS 76 13.784 15.328 24.153 580 H ALA 77 H ALA 77 10.085 16.797 20.330 581 HA ALA 77 HA ALA 77 11.561 19.298 20.606 582 HB1 ALA 77 HB1 ALA 77 12.787 17.164 20.449 583 HB2 ALA 77 HB2 ALA 77 13.206 18.280 19.150 584 HB3 ALA 77 HB3 ALA 77 12.126 16.924 18.830 585 H ALA 78 H ALA 78 8.817 18.649 19.157 586 HA ALA 78 HA ALA 78 9.409 19.655 16.494 587 HB1 ALA 78 HB1 ALA 78 7.832 17.818 16.707 588 HB2 ALA 78 HB2 ALA 78 7.032 19.240 16.041 589 HB3 ALA 78 HB3 ALA 78 6.792 18.802 17.734 590 H LYS 79 H LYS 79 8.380 21.477 15.595 591 HA LYS 79 HA LYS 79 7.442 23.479 17.539 592 HB2 LYS 79 HB2 LYS 79 9.292 23.933 15.187 593 HB3 LYS 79 HB3 LYS 79 8.559 25.218 16.137 594 HG2 LYS 79 HG2 LYS 79 10.379 25.140 17.407 595 HG3 LYS 79 HG3 LYS 79 9.752 23.618 18.039 596 HD2 LYS 79 HD2 LYS 79 12.006 23.237 17.360 597 HD3 LYS 79 HD3 LYS 79 10.958 22.453 16.176 598 HE2 LYS 79 HE2 LYS 79 11.264 24.254 14.622 599 HE3 LYS 79 HE3 LYS 79 12.144 25.201 15.819 600 HZ1 LYS 79 HZ1 LYS 79 13.035 22.675 14.526 601 HZ2 LYS 79 HZ2 LYS 79 13.841 23.410 15.822 602 HZ3 LYS 79 HZ3 LYS 79 13.711 24.222 14.342 603 H LYS 80 H LYS 80 6.497 25.425 16.139 604 HA LYS 80 HA LYS 80 4.053 24.422 15.223 605 HB2 LYS 80 HB2 LYS 80 3.441 26.694 14.787 606 HB3 LYS 80 HB3 LYS 80 4.400 26.645 16.255 607 HG2 LYS 80 HG2 LYS 80 6.378 27.311 14.829 608 HG3 LYS 80 HG3 LYS 80 5.218 27.625 13.536 609 HD2 LYS 80 HD2 LYS 80 5.384 28.961 16.233 610 HD3 LYS 80 HD3 LYS 80 5.632 29.695 14.649 611 HE2 LYS 80 HE2 LYS 80 3.027 28.532 15.629 612 HE3 LYS 80 HE3 LYS 80 3.435 30.244 15.653 613 HZ1 LYS 80 HZ1 LYS 80 2.044 29.457 13.733 614 HZ2 LYS 80 HZ2 LYS 80 3.416 28.648 13.149 615 HZ3 LYS 80 HZ3 LYS 80 3.429 30.338 13.318 616 H GLY 81 H GLY 81 6.959 24.952 13.471 617 HA2 GLY 81 HA2 GLY 81 5.480 24.303 10.999 618 HA3 GLY 81 HA3 GLY 81 6.763 25.506 10.995 619 H SER 82 H SER 82 6.431 22.259 12.398 620 HA SER 82 HA SER 82 9.176 21.681 11.809 621 HB2 SER 82 HB2 SER 82 6.955 20.277 13.221 622 HB3 SER 82 HB3 SER 82 8.384 19.358 12.745 623 HG SER 82 HG SER 82 9.589 21.136 13.801 624 H MET 83 H MET 83 6.538 21.571 9.851 625 HA MET 83 HA MET 83 5.883 20.416 8.011 626 HB2 MET 83 HB2 MET 83 8.871 20.059 7.887 627 HB3 MET 83 HB3 MET 83 7.797 19.529 6.601 628 HG2 MET 83 HG2 MET 83 7.538 22.326 7.523 629 HG3 MET 83 HG3 MET 83 8.979 21.903 6.607 630 HE1 MET 83 HE1 MET 83 4.670 21.419 4.993 631 HE2 MET 83 HE2 MET 83 5.054 22.037 6.606 632 HE3 MET 83 HE3 MET 83 5.351 20.344 6.211 633 H VAL 84 H VAL 84 4.703 18.875 9.187 634 HA VAL 84 HA VAL 84 5.963 16.365 9.895 635 HB VAL 84 HB VAL 84 3.048 17.151 9.984 636 HG11 VAL 84 HG11 VAL 84 3.343 14.749 9.967 637 HG12 VAL 84 HG12 VAL 84 2.832 15.284 11.568 638 HG13 VAL 84 HG13 VAL 84 4.519 14.861 11.278 639 HG21 VAL 84 HG21 VAL 84 5.092 17.184 12.198 640 HG22 VAL 84 HG22 VAL 84 3.379 17.582 12.344 641 HG23 VAL 84 HG23 VAL 84 4.443 18.604 11.380 642 H TYR 85 H TYR 85 6.329 14.899 8.359 643 HA TYR 85 HA TYR 85 4.652 14.893 5.969 644 HB2 TYR 85 HB2 TYR 85 7.170 13.324 6.560 645 HB3 TYR 85 HB3 TYR 85 6.342 13.405 5.010 646 HD1 TYR 85 HD1 TYR 85 8.722 14.971 7.206 647 HD2 TYR 85 HD2 TYR 85 6.289 15.599 3.775 648 HE1 TYR 85 HE1 TYR 85 10.090 16.919 6.604 649 HE2 TYR 85 HE2 TYR 85 7.655 17.552 3.159 650 HH TYR 85 HH TYR 85 10.648 18.260 4.709 651 H PHE 86 H PHE 86 2.937 13.628 5.947 652 HA PHE 86 HA PHE 86 2.983 11.148 7.514 653 HB2 PHE 86 HB2 PHE 86 1.054 12.823 7.705 654 HB3 PHE 86 HB3 PHE 86 0.596 12.320 6.081 655 HD1 PHE 86 HD1 PHE 86 1.771 10.443 9.078 656 HD2 PHE 86 HD2 PHE 86 -1.301 11.020 6.188 657 HE1 PHE 86 HE1 PHE 86 0.518 8.558 10.041 658 HE2 PHE 86 HE2 PHE 86 -2.559 9.135 7.147 659 HZ PHE 86 HZ PHE 86 -1.649 7.901 9.075 660 H LYS 87 H LYS 87 3.929 9.611 6.381 661 HA LYS 87 HA LYS 87 3.900 9.667 3.488 662 HB2 LYS 87 HB2 LYS 87 5.844 9.068 5.173 663 HB3 LYS 87 HB3 LYS 87 5.134 7.464 5.095 664 HG2 LYS 87 HG2 LYS 87 6.873 7.507 3.514 665 HG3 LYS 87 HG3 LYS 87 5.370 7.611 2.592 666 HD2 LYS 87 HD2 LYS 87 5.636 9.974 2.311 667 HD3 LYS 87 HD3 LYS 87 7.027 9.991 3.399 668 HE2 LYS 87 HE2 LYS 87 8.225 8.514 1.805 669 HE3 LYS 87 HE3 LYS 87 6.855 8.655 0.703 670 HZ1 LYS 87 HZ1 LYS 87 8.626 10.200 0.137 671 HZ2 LYS 87 HZ2 LYS 87 8.518 10.919 1.673 672 HZ3 LYS 87 HZ3 LYS 87 7.218 11.033 0.590 673 H VAL 88 H VAL 88 1.913 9.015 2.734 674 HA VAL 88 HA VAL 88 1.099 6.295 3.515 675 HB VAL 88 HB VAL 88 -1.206 6.979 2.644 676 HG11 VAL 88 HG11 VAL 88 -1.819 7.953 4.801 677 HG12 VAL 88 HG12 VAL 88 -0.117 8.268 5.139 678 HG13 VAL 88 HG13 VAL 88 -0.696 6.607 4.997 679 HG21 VAL 88 HG21 VAL 88 -1.749 9.348 2.753 680 HG22 VAL 88 HG22 VAL 88 -0.500 9.060 1.541 681 HG23 VAL 88 HG23 VAL 88 -0.064 9.732 3.112 682 H GLY 89 H GLY 89 2.392 5.323 2.003 683 HA2 GLY 89 HA2 GLY 89 2.801 4.293 -0.005 684 HA3 GLY 89 HA3 GLY 89 1.213 4.845 -0.518 685 H ASN 90 H ASN 90 1.089 6.403 -1.999 686 HA ASN 90 HA ASN 90 3.603 7.508 -2.984 687 HB2 ASN 90 HB2 ASN 90 2.323 8.160 -4.984 688 HB3 ASN 90 HB3 ASN 90 2.146 6.442 -4.643 689 HD21 ASN 90 HD21 ASN 90 0.175 5.638 -4.017 690 HD22 ASN 90 HD22 ASN 90 -1.290 6.561 -4.116 691 H GLU 91 H GLU 91 1.095 8.410 -0.945 692 HA GLU 91 HA GLU 91 1.200 11.220 -1.749 693 HB2 GLU 91 HB2 GLU 91 -0.519 9.906 0.357 694 HB3 GLU 91 HB3 GLU 91 -0.635 11.575 -0.178 695 HG2 GLU 91 HG2 GLU 91 -1.138 10.664 -2.478 696 HG3 GLU 91 HG3 GLU 91 -1.313 9.086 -1.708 697 H THR 92 H THR 92 2.915 12.245 -0.972 698 HA THR 92 HA THR 92 3.583 11.869 1.860 699 HB THR 92 HB THR 92 5.098 13.540 -0.158 700 HG1 THR 92 HG1 THR 92 5.278 11.440 -0.872 701 HG21 THR 92 HG21 THR 92 5.888 12.405 2.532 702 HG22 THR 92 HG22 THR 92 5.477 14.090 2.210 703 HG23 THR 92 HG23 THR 92 6.913 13.376 1.474 704 H ARG 93 H ARG 93 1.796 12.919 2.706 705 HA ARG 93 HA ARG 93 1.293 15.659 1.845 706 HB2 ARG 93 HB2 ARG 93 -0.740 15.456 3.317 707 HB3 ARG 93 HB3 ARG 93 -0.684 14.350 1.953 708 HG2 ARG 93 HG2 ARG 93 0.087 12.564 3.456 709 HG3 ARG 93 HG3 ARG 93 -0.039 13.681 4.817 710 HD2 ARG 93 HD2 ARG 93 -2.023 12.396 4.824 711 HD3 ARG 93 HD3 ARG 93 -2.457 13.987 4.202 712 HE ARG 93 HE ARG 93 -1.964 11.715 2.391 713 HH11 ARG 93 HH11 ARG 93 -3.913 14.425 3.451 714 HH12 ARG 93 HH12 ARG 93 -5.198 14.085 2.332 715 HH21 ARG 93 HH21 ARG 93 -3.668 11.275 0.895 716 HH22 ARG 93 HH22 ARG 93 -5.083 12.291 0.924 717 H LYS 94 H LYS 94 1.644 17.418 3.072 718 HA LYS 94 HA LYS 94 3.201 16.948 5.505 719 HB2 LYS 94 HB2 LYS 94 3.608 19.593 4.872 720 HB3 LYS 94 HB3 LYS 94 4.679 18.263 4.476 721 HG2 LYS 94 HG2 LYS 94 4.400 19.498 2.497 722 HG3 LYS 94 HG3 LYS 94 3.422 18.045 2.304 723 HD2 LYS 94 HD2 LYS 94 1.412 19.328 2.901 724 HD3 LYS 94 HD3 LYS 94 2.401 20.782 3.077 725 HE2 LYS 94 HE2 LYS 94 3.052 20.634 0.727 726 HE3 LYS 94 HE3 LYS 94 2.098 19.165 0.546 727 HZ1 LYS 94 HZ1 LYS 94 0.838 20.955 -0.310 728 HZ2 LYS 94 HZ2 LYS 94 1.092 21.909 1.064 729 HZ3 LYS 94 HZ3 LYS 94 0.119 20.527 1.163 730 H TYR 95 H TYR 95 2.751 17.872 7.396 731 HA TYR 95 HA TYR 95 0.285 19.483 7.589 732 HB2 TYR 95 HB2 TYR 95 1.353 17.400 9.506 733 HB3 TYR 95 HB3 TYR 95 -0.021 18.443 9.837 734 HD1 TYR 95 HD1 TYR 95 -2.169 17.900 9.062 735 HD2 TYR 95 HD2 TYR 95 1.187 15.731 7.606 736 HE1 TYR 95 HE1 TYR 95 -3.681 16.274 8.016 737 HE2 TYR 95 HE2 TYR 95 -0.322 14.098 6.556 738 HH TYR 95 HH TYR 95 -3.592 14.655 6.101 739 H LYS 96 H LYS 96 0.261 21.157 9.133 740 HA LYS 96 HA LYS 96 2.937 21.969 10.083 741 HB2 LYS 96 HB2 LYS 96 1.031 23.377 8.577 742 HB3 LYS 96 HB3 LYS 96 0.937 24.062 10.190 743 HG2 LYS 96 HG2 LYS 96 2.490 25.322 8.848 744 HG3 LYS 96 HG3 LYS 96 3.367 24.477 10.128 745 HD2 LYS 96 HD2 LYS 96 3.961 22.712 8.520 746 HD3 LYS 96 HD3 LYS 96 3.120 23.605 7.253 747 HE2 LYS 96 HE2 LYS 96 5.508 24.577 8.812 748 HE3 LYS 96 HE3 LYS 96 5.529 23.956 7.163 749 HZ1 LYS 96 HZ1 LYS 96 4.101 26.401 8.066 750 HZ2 LYS 96 HZ2 LYS 96 4.122 25.795 6.482 751 HZ3 LYS 96 HZ3 LYS 96 5.549 26.356 7.192 752 H MET 97 H MET 97 3.266 22.236 12.231 753 HA MET 97 HA MET 97 1.208 21.364 14.038 754 HB2 MET 97 HB2 MET 97 4.028 22.347 14.464 755 HB3 MET 97 HB3 MET 97 2.964 21.923 15.794 756 HG2 MET 97 HG2 MET 97 3.829 20.067 13.593 757 HG3 MET 97 HG3 MET 97 4.512 20.125 15.218 758 HE1 MET 97 HE1 MET 97 4.012 17.573 15.890 759 HE2 MET 97 HE2 MET 97 3.703 17.478 14.158 760 HE3 MET 97 HE3 MET 97 2.561 16.762 15.298 761 H THR 98 H THR 98 -0.254 23.149 13.370 762 HA THR 98 HA THR 98 0.435 25.828 14.125 763 HB THR 98 HB THR 98 -0.991 25.691 12.265 764 HG1 THR 98 HG1 THR 98 -1.657 27.134 14.203 765 HG21 THR 98 HG21 THR 98 -2.778 23.913 13.916 766 HG22 THR 98 HG22 THR 98 -1.831 23.456 12.497 767 HG23 THR 98 HG23 THR 98 -3.201 24.556 12.329 768 H SER 99 H SER 99 -1.002 23.154 15.746 769 HA SER 99 HA SER 99 -1.487 24.913 18.042 770 HB2 SER 99 HB2 SER 99 -3.314 22.679 17.139 771 HB3 SER 99 HB3 SER 99 -3.490 23.590 18.634 772 HG SER 99 HG SER 99 -3.276 25.124 16.348 773 H ILE 100 H ILE 100 0.221 24.349 19.237 774 HA ILE 100 HA ILE 100 0.533 21.497 19.924 775 HB ILE 100 HB ILE 100 2.621 23.688 20.006 776 HG12 ILE 100 HG12 ILE 100 2.431 21.228 18.255 777 HG13 ILE 100 HG13 ILE 100 2.103 22.876 17.728 778 HG21 ILE 100 HG21 ILE 100 2.894 22.108 21.839 779 HG22 ILE 100 HG22 ILE 100 4.183 21.922 20.651 780 HG23 ILE 100 HG23 ILE 100 2.853 20.763 20.698 781 HD11 ILE 100 HD11 ILE 100 4.749 21.835 18.719 782 HD12 ILE 100 HD12 ILE 100 4.420 23.485 18.187 783 HD13 ILE 100 HD13 ILE 100 4.315 22.149 17.038 784 H ARG 101 H ARG 101 -0.259 21.073 21.885 785 HA ARG 101 HA ARG 101 0.541 22.656 24.137 786 HB2 ARG 101 HB2 ARG 101 -1.718 23.254 24.911 787 HB3 ARG 101 HB3 ARG 101 -1.309 24.047 23.398 788 HG2 ARG 101 HG2 ARG 101 -2.605 22.234 22.227 789 HG3 ARG 101 HG3 ARG 101 -3.174 21.729 23.822 790 HD2 ARG 101 HD2 ARG 101 -4.034 24.029 24.182 791 HD3 ARG 101 HD3 ARG 101 -3.564 24.428 22.532 792 HE ARG 101 HE ARG 101 -5.719 22.605 23.337 793 HH11 ARG 101 HH11 ARG 101 -4.063 24.448 20.853 794 HH12 ARG 101 HH12 ARG 101 -5.300 24.169 19.658 795 HH21 ARG 101 HH21 ARG 101 -7.358 22.291 21.762 796 HH22 ARG 101 HH22 ARG 101 -7.172 22.987 20.184 797 H ASP 102 H ASP 102 -1.057 21.807 26.092 798 HA ASP 102 HA ASP 102 -1.426 18.936 25.820 799 HB2 ASP 102 HB2 ASP 102 -0.180 18.666 28.065 800 HB3 ASP 102 HB3 ASP 102 0.779 18.833 26.599 801 H VAL 103 H VAL 103 -3.037 18.145 27.047 802 HA VAL 103 HA VAL 103 -4.325 19.983 28.948 803 HB VAL 103 HB VAL 103 -6.551 19.342 28.019 804 HG11 VAL 103 HG11 VAL 103 -5.552 21.487 27.465 805 HG12 VAL 103 HG12 VAL 103 -6.446 20.848 26.087 806 HG13 VAL 103 HG13 VAL 103 -4.686 20.755 26.114 807 HG21 VAL 103 HG21 VAL 103 -5.939 17.295 26.874 808 HG22 VAL 103 HG22 VAL 103 -4.884 18.188 25.779 809 HG23 VAL 103 HG23 VAL 103 -6.631 18.436 25.721 810 H LYS 104 H LYS 104 -6.432 18.625 29.752 811 HA LYS 104 HA LYS 104 -5.269 16.317 31.092 812 HB2 LYS 104 HB2 LYS 104 -7.744 17.971 31.582 813 HB3 LYS 104 HB3 LYS 104 -7.440 16.471 32.442 814 HG2 LYS 104 HG2 LYS 104 -6.750 18.238 33.848 815 HG3 LYS 104 HG3 LYS 104 -5.288 17.468 33.240 816 HD2 LYS 104 HD2 LYS 104 -5.055 19.884 33.227 817 HD3 LYS 104 HD3 LYS 104 -5.051 19.257 31.579 818 HE2 LYS 104 HE2 LYS 104 -7.350 19.927 31.273 819 HE3 LYS 104 HE3 LYS 104 -7.463 20.426 32.960 820 HZ1 LYS 104 HZ1 LYS 104 -5.942 22.187 32.582 821 HZ2 LYS 104 HZ2 LYS 104 -7.108 22.272 31.348 822 HZ3 LYS 104 HZ3 LYS 104 -5.567 21.635 31.021 823 HA PRO 105 HA PRO 105 -7.734 13.312 28.898 824 HB2 PRO 105 HB2 PRO 105 -8.364 11.561 30.884 825 HB3 PRO 105 HB3 PRO 105 -6.753 11.655 30.163 826 HG2 PRO 105 HG2 PRO 105 -7.754 12.836 32.723 827 HG3 PRO 105 HG3 PRO 105 -6.217 12.012 32.393 828 HD2 PRO 105 HD2 PRO 105 -6.420 14.704 32.523 829 HD3 PRO 105 HD3 PRO 105 -5.270 13.889 31.444 830 H THR 106 H THR 106 -8.929 14.976 31.664 831 HA THR 106 HA THR 106 -11.693 14.207 31.095 832 HB THR 106 HB THR 106 -10.835 14.098 33.448 833 HG1 THR 106 HG1 THR 106 -12.726 15.854 33.996 834 HG21 THR 106 HG21 THR 106 -9.388 16.061 33.422 835 HG22 THR 106 HG22 THR 106 -10.587 16.187 34.710 836 HG23 THR 106 HG23 THR 106 -10.792 17.107 33.219 837 H ASP 107 H ASP 107 -9.697 16.242 29.765 838 HA ASP 107 HA ASP 107 -11.059 18.760 29.990 839 HB2 ASP 107 HB2 ASP 107 -8.635 18.544 29.396 840 HB3 ASP 107 HB3 ASP 107 -9.119 17.850 27.853 841 H VAL 108 H VAL 108 -12.966 19.166 29.101 842 HA VAL 108 HA VAL 108 -13.884 17.467 26.900 843 HB VAL 108 HB VAL 108 -16.152 18.353 27.469 844 HG11 VAL 108 HG11 VAL 108 -16.379 17.062 29.560 845 HG12 VAL 108 HG12 VAL 108 -14.622 17.005 29.693 846 HG13 VAL 108 HG13 VAL 108 -15.432 16.212 28.343 847 HG21 VAL 108 HG21 VAL 108 -14.696 19.581 29.805 848 HG22 VAL 108 HG22 VAL 108 -16.447 19.505 29.613 849 HG23 VAL 108 HG23 VAL 108 -15.476 20.456 28.489 850 H GLU 109 H GLU 109 -12.331 20.275 27.185 851 HA GLU 109 HA GLU 109 -13.976 21.851 25.393 852 HB2 GLU 109 HB2 GLU 109 -11.268 22.429 26.601 853 HB3 GLU 109 HB3 GLU 109 -12.204 23.561 25.633 854 HG2 GLU 109 HG2 GLU 109 -13.985 23.509 27.311 855 HG3 GLU 109 HG3 GLU 109 -13.026 22.397 28.285 856 H VAL 110 H VAL 110 -11.014 19.968 25.357 857 HA VAL 110 HA VAL 110 -10.293 20.748 22.688 858 HB VAL 110 HB VAL 110 -8.628 18.915 22.804 859 HG11 VAL 110 HG11 VAL 110 -8.050 21.136 23.570 860 HG12 VAL 110 HG12 VAL 110 -7.270 19.921 24.584 861 HG13 VAL 110 HG13 VAL 110 -8.698 20.776 25.171 862 HG21 VAL 110 HG21 VAL 110 -9.729 18.467 25.577 863 HG22 VAL 110 HG22 VAL 110 -8.308 17.688 24.883 864 HG23 VAL 110 HG23 VAL 110 -9.907 17.366 24.213 865 H LEU 111 H LEU 111 -12.303 18.274 24.061 866 HA LEU 111 HA LEU 111 -12.345 16.796 21.557 867 HB2 LEU 111 HB2 LEU 111 -13.865 15.233 22.808 868 HB3 LEU 111 HB3 LEU 111 -12.225 15.363 23.406 869 HG LEU 111 HG LEU 111 -13.196 17.030 25.121 870 HD11 LEU 111 HD11 LEU 111 -15.724 15.590 24.343 871 HD12 LEU 111 HD12 LEU 111 -15.371 17.282 23.994 872 HD13 LEU 111 HD13 LEU 111 -15.526 16.739 25.667 873 HD21 LEU 111 HD21 LEU 111 -13.744 15.209 26.627 874 HD22 LEU 111 HD22 LEU 111 -12.350 14.786 25.631 875 HD23 LEU 111 HD23 LEU 111 -13.937 14.113 25.258 876 H ASP 112 H ASP 112 -13.504 19.541 22.056 877 HA ASP 112 HA ASP 112 -16.309 19.365 21.642 878 HB2 ASP 112 HB2 ASP 112 -15.096 21.430 22.401 879 HB3 ASP 112 HB3 ASP 112 -14.423 21.577 20.783 880 H GLU 113 H GLU 113 -17.282 20.220 19.534 881 HA GLU 113 HA GLU 113 -16.616 18.449 17.436 882 HB2 GLU 113 HB2 GLU 113 -18.316 19.905 16.163 883 HB3 GLU 113 HB3 GLU 113 -18.877 19.022 17.575 884 HG2 GLU 113 HG2 GLU 113 -18.707 21.045 18.924 885 HG3 GLU 113 HG3 GLU 113 -18.111 21.935 17.525 886 H GLN 114 H GLN 114 -14.449 18.847 16.916 887 HA GLN 114 HA GLN 114 -13.609 21.494 16.108 888 HB2 GLN 114 HB2 GLN 114 -12.151 18.871 16.383 889 HB3 GLN 114 HB3 GLN 114 -11.376 20.360 15.855 890 HG2 GLN 114 HG2 GLN 114 -12.818 20.050 18.470 891 HG3 GLN 114 HG3 GLN 114 -11.082 19.823 18.263 892 HE21 GLN 114 HE21 GLN 114 -12.538 21.767 19.873 893 HE22 GLN 114 HE22 GLN 114 -12.030 23.325 19.329 894 H LYS 115 H LYS 115 -15.519 20.319 14.397 895 HA LYS 115 HA LYS 115 -14.097 19.526 12.007 896 HB2 LYS 115 HB2 LYS 115 -16.245 19.387 10.923 897 HB3 LYS 115 HB3 LYS 115 -16.368 18.626 12.502 898 HG2 LYS 115 HG2 LYS 115 -17.109 21.479 12.349 899 HG3 LYS 115 HG3 LYS 115 -18.183 20.330 11.550 900 HD2 LYS 115 HD2 LYS 115 -18.436 19.086 13.611 901 HD3 LYS 115 HD3 LYS 115 -17.284 20.148 14.421 902 HE2 LYS 115 HE2 LYS 115 -19.595 20.735 14.970 903 HE3 LYS 115 HE3 LYS 115 -18.769 22.038 14.123 904 HZ1 LYS 115 HZ1 LYS 115 -20.623 20.096 12.853 905 HZ2 LYS 115 HZ2 LYS 115 -19.889 21.422 12.102 906 HZ3 LYS 115 HZ3 LYS 115 -21.035 21.671 13.324 907 H GLY 116 H GLY 116 -14.750 20.788 9.914 908 HA2 GLY 116 HA2 GLY 116 -15.142 22.917 8.900 909 HA3 GLY 116 HA3 GLY 116 -14.792 23.684 10.445 910 H LYS 117 H LYS 117 -12.503 21.487 10.339 911 HA LYS 117 HA LYS 117 -10.524 23.316 9.224 912 HB2 LYS 117 HB2 LYS 117 -10.261 20.751 10.776 913 HB3 LYS 117 HB3 LYS 117 -8.897 21.658 10.143 914 HG2 LYS 117 HG2 LYS 117 -9.993 23.627 11.482 915 HG3 LYS 117 HG3 LYS 117 -10.718 22.298 12.395 916 HD2 LYS 117 HD2 LYS 117 -8.449 21.331 12.660 917 HD3 LYS 117 HD3 LYS 117 -7.797 22.776 11.887 918 HE2 LYS 117 HE2 LYS 117 -7.630 22.937 14.315 919 HE3 LYS 117 HE3 LYS 117 -8.734 24.156 13.677 920 HZ1 LYS 117 HZ1 LYS 117 -9.575 21.572 14.875 921 HZ2 LYS 117 HZ2 LYS 117 -10.594 22.817 14.355 922 HZ3 LYS 117 HZ3 LYS 117 -9.577 23.061 15.685 923 H ASP 118 H ASP 118 -8.573 21.756 8.320 924 HA ASP 118 HA ASP 118 -9.762 20.038 6.259 925 HB2 ASP 118 HB2 ASP 118 -8.015 21.956 5.756 926 HB3 ASP 118 HB3 ASP 118 -6.847 20.759 6.312 927 H LYS 119 H LYS 119 -7.296 18.505 5.932 928 HA LYS 119 HA LYS 119 -7.805 16.513 7.892 929 HB2 LYS 119 HB2 LYS 119 -5.737 16.888 5.754 930 HB3 LYS 119 HB3 LYS 119 -5.516 15.624 6.953 931 HG2 LYS 119 HG2 LYS 119 -6.569 14.865 4.837 932 HG3 LYS 119 HG3 LYS 119 -7.521 14.528 6.281 933 HD2 LYS 119 HD2 LYS 119 -8.975 16.395 5.812 934 HD3 LYS 119 HD3 LYS 119 -7.968 16.882 4.447 935 HE2 LYS 119 HE2 LYS 119 -9.451 14.270 4.663 936 HE3 LYS 119 HE3 LYS 119 -10.008 15.679 3.759 937 HZ1 LYS 119 HZ1 LYS 119 -7.452 14.270 3.243 938 HZ2 LYS 119 HZ2 LYS 119 -8.129 15.509 2.314 939 HZ3 LYS 119 HZ3 LYS 119 -8.877 13.984 2.379 940 H GLN 120 H GLN 120 -7.381 16.897 9.981 941 HA GLN 120 HA GLN 120 -4.807 18.142 10.650 942 HB2 GLN 120 HB2 GLN 120 -5.756 18.533 12.898 943 HB3 GLN 120 HB3 GLN 120 -6.685 19.312 11.628 944 HG2 GLN 120 HG2 GLN 120 -8.413 17.690 11.782 945 HG3 GLN 120 HG3 GLN 120 -7.441 16.667 12.838 946 HE21 GLN 120 HE21 GLN 120 -7.195 17.218 14.990 947 HE22 GLN 120 HE22 GLN 120 -8.205 18.386 15.764 948 H LEU 121 H LEU 121 -3.240 16.961 11.419 949 HA LEU 121 HA LEU 121 -3.785 14.184 12.124 950 HB2 LEU 121 HB2 LEU 121 -1.949 14.832 10.500 951 HB3 LEU 121 HB3 LEU 121 -1.103 15.545 11.860 952 HG LEU 121 HG LEU 121 -1.001 13.341 12.948 953 HD11 LEU 121 HD11 LEU 121 -2.237 12.335 10.393 954 HD12 LEU 121 HD12 LEU 121 -3.022 12.378 11.971 955 HD13 LEU 121 HD13 LEU 121 -1.619 11.341 11.712 956 HD21 LEU 121 HD21 LEU 121 0.062 13.375 10.126 957 HD22 LEU 121 HD22 LEU 121 0.634 12.341 11.436 958 HD23 LEU 121 HD23 LEU 121 0.846 14.089 11.538 959 H THR 122 H THR 122 -4.531 14.145 14.143 960 HA THR 122 HA THR 122 -3.457 15.896 16.173 961 HB THR 122 HB THR 122 -5.468 13.679 16.563 962 HG1 THR 122 HG1 THR 122 -6.605 14.827 15.169 963 HG21 THR 122 HG21 THR 122 -4.998 16.292 18.010 964 HG22 THR 122 HG22 THR 122 -4.566 14.685 18.602 965 HG23 THR 122 HG23 THR 122 -6.262 15.119 18.385 966 H LEU 123 H LEU 123 -1.395 15.262 16.684 967 HA LEU 123 HA LEU 123 -0.859 12.469 17.258 968 HB2 LEU 123 HB2 LEU 123 0.959 14.828 17.728 969 HB3 LEU 123 HB3 LEU 123 1.414 13.139 17.661 970 HG LEU 123 HG LEU 123 0.584 14.918 15.378 971 HD11 LEU 123 HD11 LEU 123 3.061 13.297 15.921 972 HD12 LEU 123 HD12 LEU 123 2.908 15.049 16.059 973 HD13 LEU 123 HD13 LEU 123 2.757 14.270 14.483 974 HD21 LEU 123 HD21 LEU 123 -0.538 12.745 15.144 975 HD22 LEU 123 HD22 LEU 123 1.023 11.935 15.303 976 HD23 LEU 123 HD23 LEU 123 0.709 12.988 13.921 977 H ILE 124 H ILE 124 -1.686 11.714 19.062 978 HA ILE 124 HA ILE 124 -1.935 13.435 21.410 979 HB ILE 124 HB ILE 124 -2.919 10.597 21.043 980 HG12 ILE 124 HG12 ILE 124 -4.439 13.195 20.686 981 HG13 ILE 124 HG13 ILE 124 -3.907 12.150 19.373 982 HG21 ILE 124 HG21 ILE 124 -2.696 11.305 23.367 983 HG22 ILE 124 HG22 ILE 124 -4.395 11.142 22.923 984 HG23 ILE 124 HG23 ILE 124 -3.662 12.744 23.031 985 HD11 ILE 124 HD11 ILE 124 -5.343 10.368 20.197 986 HD12 ILE 124 HD12 ILE 124 -6.266 11.837 19.872 987 HD13 ILE 124 HD13 ILE 124 -5.861 11.397 21.533 988 H THR 125 H THR 125 -0.576 13.270 23.115 989 HA THR 125 HA THR 125 1.101 10.865 23.305 990 HB THR 125 HB THR 125 2.206 13.678 23.446 991 HG1 THR 125 HG1 THR 125 1.623 12.179 21.330 992 HG21 THR 125 HG21 THR 125 3.568 10.980 23.472 993 HG22 THR 125 HG22 THR 125 3.413 12.074 24.846 994 HG23 THR 125 HG23 THR 125 4.387 12.542 23.452 995 H CYS 126 H CYS 126 0.447 10.095 25.208 996 HA CYS 126 HA CYS 126 0.057 11.982 27.413 997 HB2 CYS 126 HB2 CYS 126 -0.671 9.047 27.312 998 HB3 CYS 126 HB3 CYS 126 -1.197 10.234 28.507 999 H ASP 127 H ASP 127 1.849 12.374 28.517 1000 HA ASP 127 HA ASP 127 3.782 10.179 28.864 1001 HB2 ASP 127 HB2 ASP 127 5.557 11.858 28.814 1002 HB3 ASP 127 HB3 ASP 127 4.588 11.929 27.347 1003 H ASP 128 H ASP 128 1.627 11.966 30.555 1004 HA ASP 128 HA ASP 128 3.291 12.005 32.971 1005 HB2 ASP 128 HB2 ASP 128 2.250 14.165 32.454 1006 HB3 ASP 128 HB3 ASP 128 0.660 13.411 32.474 1007 H TYR 129 H TYR 129 3.177 9.907 33.468 1008 HA TYR 129 HA TYR 129 0.680 8.481 33.615 1009 HB2 TYR 129 HB2 TYR 129 2.688 7.340 32.849 1010 HB3 TYR 129 HB3 TYR 129 3.507 7.706 34.362 1011 HD1 TYR 129 HD1 TYR 129 3.303 6.283 36.213 1012 HD2 TYR 129 HD2 TYR 129 0.710 5.768 32.887 1013 HE1 TYR 129 HE1 TYR 129 2.542 4.145 37.148 1014 HE2 TYR 129 HE2 TYR 129 -0.062 3.627 33.813 1015 HH TYR 129 HH TYR 129 0.976 1.851 35.417 1016 H ASN 130 H ASN 130 -0.617 8.425 35.313 1017 HA ASN 130 HA ASN 130 0.336 9.305 37.927 1018 HB2 ASN 130 HB2 ASN 130 -1.904 10.039 37.075 1019 HB3 ASN 130 HB3 ASN 130 -2.434 8.359 37.130 1020 HD21 ASN 130 HD21 ASN 130 -1.885 11.229 38.900 1021 HD22 ASN 130 HD22 ASN 130 -2.373 10.628 40.451 1022 H GLU 131 H GLU 131 1.456 7.813 38.992 1023 HA GLU 131 HA GLU 131 1.406 5.073 38.341 1024 HB2 GLU 131 HB2 GLU 131 2.526 6.438 40.785 1025 HB3 GLU 131 HB3 GLU 131 2.912 4.804 40.263 1026 HG2 GLU 131 HG2 GLU 131 3.831 5.731 38.166 1027 HG3 GLU 131 HG3 GLU 131 3.518 7.354 38.783 1028 H LYS 132 H LYS 132 -0.543 6.868 40.547 1029 HA LYS 132 HA LYS 132 -0.990 4.716 42.370 1030 HB2 LYS 132 HB2 LYS 132 -2.099 7.480 42.058 1031 HB3 LYS 132 HB3 LYS 132 -2.782 6.354 43.207 1032 HG2 LYS 132 HG2 LYS 132 0.090 7.256 43.161 1033 HG3 LYS 132 HG3 LYS 132 -1.156 7.881 44.240 1034 HD2 LYS 132 HD2 LYS 132 -0.021 6.316 45.552 1035 HD3 LYS 132 HD3 LYS 132 -1.440 5.431 44.994 1036 HE2 LYS 132 HE2 LYS 132 0.009 4.544 43.122 1037 HE3 LYS 132 HE3 LYS 132 1.387 5.237 43.974 1038 HZ1 LYS 132 HZ1 LYS 132 -0.481 3.308 45.231 1039 HZ2 LYS 132 HZ2 LYS 132 1.043 3.799 45.795 1040 HZ3 LYS 132 HZ3 LYS 132 0.924 2.834 44.409 1041 H THR 133 H THR 133 -2.510 5.764 39.441 1042 HA THR 133 HA THR 133 -4.589 3.755 39.931 1043 HB THR 133 HB THR 133 -5.668 5.878 40.237 1044 HG1 THR 133 HG1 THR 133 -7.204 4.798 39.260 1045 HG21 THR 133 HG21 THR 133 -5.786 7.531 38.406 1046 HG22 THR 133 HG22 THR 133 -4.597 6.578 37.514 1047 HG23 THR 133 HG23 THR 133 -4.158 7.321 39.052 1048 H GLY 134 H GLY 134 -2.495 5.359 37.613 1049 HA2 GLY 134 HA2 GLY 134 -1.460 3.960 35.946 1050 HA3 GLY 134 HA3 GLY 134 -2.962 3.061 35.836 1051 H VAL 135 H VAL 135 -3.931 6.171 35.989 1052 HA VAL 135 HA VAL 135 -4.359 6.305 33.152 1053 HB VAL 135 HB VAL 135 -5.730 8.195 33.591 1054 HG11 VAL 135 HG11 VAL 135 -6.710 6.044 34.124 1055 HG12 VAL 135 HG12 VAL 135 -7.347 7.306 35.177 1056 HG13 VAL 135 HG13 VAL 135 -6.129 6.183 35.782 1057 HG21 VAL 135 HG21 VAL 135 -5.954 9.170 35.870 1058 HG22 VAL 135 HG22 VAL 135 -4.394 9.469 35.106 1059 HG23 VAL 135 HG23 VAL 135 -4.543 8.228 36.350 1060 H TRP 136 H TRP 136 -4.060 8.539 32.120 1061 HA TRP 136 HA TRP 136 -1.441 9.633 32.894 1062 HB2 TRP 136 HB2 TRP 136 -2.642 9.559 30.112 1063 HB3 TRP 136 HB3 TRP 136 -1.035 10.132 30.545 1064 HD1 TRP 136 HD1 TRP 136 -3.058 6.841 30.427 1065 HE1 TRP 136 HE1 TRP 136 -1.417 4.886 30.111 1066 HE3 TRP 136 HE3 TRP 136 1.343 9.423 30.719 1067 HZ2 TRP 136 HZ2 TRP 136 1.369 4.491 29.990 1068 HZ3 TRP 136 HZ3 TRP 136 3.453 8.178 30.493 1069 HH2 TRP 136 HH2 TRP 136 3.464 5.766 30.137 1070 H GLU 137 H GLU 137 -1.673 11.590 33.770 1071 HA GLU 137 HA GLU 137 -4.210 12.924 33.568 1072 HB2 GLU 137 HB2 GLU 137 -1.677 13.591 35.047 1073 HB3 GLU 137 HB3 GLU 137 -3.109 14.609 35.089 1074 HG2 GLU 137 HG2 GLU 137 -4.378 12.639 35.954 1075 HG3 GLU 137 HG3 GLU 137 -2.838 11.789 36.088 1076 H LYS 138 H LYS 138 -1.160 13.220 31.991 1077 HA LYS 138 HA LYS 138 -2.069 15.771 30.853 1078 HB2 LYS 138 HB2 LYS 138 0.079 15.875 32.098 1079 HB3 LYS 138 HB3 LYS 138 0.762 14.731 30.950 1080 HG2 LYS 138 HG2 LYS 138 1.457 16.900 30.301 1081 HG3 LYS 138 HG3 LYS 138 0.241 16.369 29.137 1082 HD2 LYS 138 HD2 LYS 138 -0.500 18.500 29.555 1083 HD3 LYS 138 HD3 LYS 138 -1.399 17.610 30.785 1084 HE2 LYS 138 HE2 LYS 138 1.187 19.113 31.195 1085 HE3 LYS 138 HE3 LYS 138 -0.413 19.639 31.712 1086 HZ1 LYS 138 HZ1 LYS 138 0.727 18.705 33.568 1087 HZ2 LYS 138 HZ2 LYS 138 1.112 17.295 32.715 1088 HZ3 LYS 138 HZ3 LYS 138 -0.500 17.619 33.131 1089 H ARG 139 H ARG 139 -2.872 15.588 28.937 1090 HA ARG 139 HA ARG 139 -1.735 13.621 27.077 1091 HB2 ARG 139 HB2 ARG 139 -4.028 13.206 27.162 1092 HB3 ARG 139 HB3 ARG 139 -4.437 14.910 27.283 1093 HG2 ARG 139 HG2 ARG 139 -3.927 15.244 24.961 1094 HG3 ARG 139 HG3 ARG 139 -3.325 13.591 24.817 1095 HD2 ARG 139 HD2 ARG 139 -5.631 13.938 23.926 1096 HD3 ARG 139 HD3 ARG 139 -5.500 12.686 25.159 1097 HE ARG 139 HE ARG 139 -6.182 14.955 26.532 1098 HH11 ARG 139 HH11 ARG 139 -7.565 13.184 23.859 1099 HH12 ARG 139 HH12 ARG 139 -9.210 13.513 24.299 1100 HH21 ARG 139 HH21 ARG 139 -8.333 15.426 27.129 1101 HH22 ARG 139 HH22 ARG 139 -9.644 14.817 26.172 1102 H LYS 140 H LYS 140 -0.007 14.661 26.292 1103 HA LYS 140 HA LYS 140 0.003 17.361 25.402 1104 HB2 LYS 140 HB2 LYS 140 2.012 15.882 25.977 1105 HB3 LYS 140 HB3 LYS 140 1.774 15.118 24.413 1106 HG2 LYS 140 HG2 LYS 140 3.475 16.728 24.145 1107 HG3 LYS 140 HG3 LYS 140 2.030 17.394 23.382 1108 HD2 LYS 140 HD2 LYS 140 1.602 18.781 25.301 1109 HD3 LYS 140 HD3 LYS 140 2.935 18.036 26.184 1110 HE2 LYS 140 HE2 LYS 140 4.479 18.898 24.429 1111 HE3 LYS 140 HE3 LYS 140 3.115 19.762 23.721 1112 HZ1 LYS 140 HZ1 LYS 140 2.848 20.964 25.812 1113 HZ2 LYS 140 HZ2 LYS 140 4.400 21.198 25.163 1114 HZ3 LYS 140 HZ3 LYS 140 4.178 20.143 26.471 1115 H ILE 141 H ILE 141 -0.731 18.165 23.495 1116 HA ILE 141 HA ILE 141 -1.561 16.193 21.489 1117 HB ILE 141 HB ILE 141 -3.497 16.957 22.828 1118 HG12 ILE 141 HG12 ILE 141 -3.525 17.821 19.930 1119 HG13 ILE 141 HG13 ILE 141 -3.787 16.183 20.523 1120 HG21 ILE 141 HG21 ILE 141 -4.362 19.236 22.498 1121 HG22 ILE 141 HG22 ILE 141 -2.876 19.650 21.641 1122 HG23 ILE 141 HG23 ILE 141 -2.817 19.211 23.347 1123 HD11 ILE 141 HD11 ILE 141 -5.883 17.253 19.941 1124 HD12 ILE 141 HD12 ILE 141 -5.545 18.563 21.073 1125 HD13 ILE 141 HD13 ILE 141 -5.807 16.926 21.672 1126 H PHE 142 H PHE 142 -0.585 16.497 19.694 1127 HA PHE 142 HA PHE 142 0.216 19.208 18.880 1128 HB2 PHE 142 HB2 PHE 142 1.315 16.481 18.200 1129 HB3 PHE 142 HB3 PHE 142 1.694 17.892 17.228 1130 HD1 PHE 142 HD1 PHE 142 3.640 18.983 17.673 1131 HD2 PHE 142 HD2 PHE 142 1.741 16.842 20.825 1132 HE1 PHE 142 HE1 PHE 142 5.529 19.500 19.160 1133 HE2 PHE 142 HE2 PHE 142 3.626 17.362 22.311 1134 HZ PHE 142 HZ PHE 142 5.523 18.689 21.481 1135 H VAL 143 H VAL 143 -1.477 19.979 17.723 1136 HA VAL 143 HA VAL 143 -2.820 18.193 15.824 1137 HB VAL 143 HB VAL 143 -3.553 21.030 16.535 1138 HG11 VAL 143 HG11 VAL 143 -5.133 18.867 15.158 1139 HG12 VAL 143 HG12 VAL 143 -4.415 20.278 14.381 1140 HG13 VAL 143 HG13 VAL 143 -5.716 20.484 15.553 1141 HG21 VAL 143 HG21 VAL 143 -4.685 18.459 17.627 1142 HG22 VAL 143 HG22 VAL 143 -5.280 20.082 17.978 1143 HG23 VAL 143 HG23 VAL 143 -3.671 19.596 18.511 1144 H ALA 144 H ALA 144 -1.490 18.012 14.149 1145 HA ALA 144 HA ALA 144 -0.453 20.420 12.860 1146 HB1 ALA 144 HB1 ALA 144 0.880 18.894 11.507 1147 HB2 ALA 144 HB2 ALA 144 0.065 17.510 12.237 1148 HB3 ALA 144 HB3 ALA 144 1.093 18.551 13.223 1149 H THR 145 H THR 145 -1.763 21.364 11.435 1150 HA THR 145 HA THR 145 -3.841 19.782 10.131 1151 HB THR 145 HB THR 145 -3.407 22.761 9.859 1152 HG1 THR 145 HG1 THR 145 -3.994 21.394 12.072 1153 HG21 THR 145 HG21 THR 145 -5.849 20.997 9.591 1154 HG22 THR 145 HG22 THR 145 -4.991 21.797 8.273 1155 HG23 THR 145 HG23 THR 145 -5.853 22.755 9.479 1156 H GLU 146 H GLU 146 -3.965 19.423 7.960 1157 HA GLU 146 HA GLU 146 -1.612 19.114 6.527 1158 HB2 GLU 146 HB2 GLU 146 -3.880 17.989 6.190 1159 HB3 GLU 146 HB3 GLU 146 -4.326 19.408 5.252 1160 HG2 GLU 146 HG2 GLU 146 -2.681 18.967 3.622 1161 HG3 GLU 146 HG3 GLU 146 -1.910 17.743 4.627 1162 H VAL 147 H VAL 147 -0.379 20.418 5.398 1163 HA VAL 147 HA VAL 147 -0.983 23.222 5.359 1164 HB VAL 147 HB VAL 147 1.378 21.942 3.993 1165 HG11 VAL 147 HG11 VAL 147 2.513 24.018 4.590 1166 HG12 VAL 147 HG12 VAL 147 1.044 24.604 5.370 1167 HG13 VAL 147 HG13 VAL 147 1.067 24.334 3.625 1168 HG21 VAL 147 HG21 VAL 147 1.137 22.592 6.924 1169 HG22 VAL 147 HG22 VAL 147 2.608 22.084 6.092 1170 HG23 VAL 147 HG23 VAL 147 1.241 20.978 6.220 1171 H LYS 148 H LYS 148 -1.205 24.534 3.606 1172 HA LYS 148 HA LYS 148 -2.805 23.927 1.522 1173 HB2 LYS 148 HB2 LYS 148 -0.536 25.926 1.458 1174 HB3 LYS 148 HB3 LYS 148 -1.941 25.937 0.403 1175 HG2 LYS 148 HG2 LYS 148 -3.393 26.492 2.177 1176 HG3 LYS 148 HG3 LYS 148 -2.161 26.141 3.390 1177 HD2 LYS 148 HD2 LYS 148 -2.420 28.541 3.115 1178 HD3 LYS 148 HD3 LYS 148 -0.825 28.027 2.561 1179 HE2 LYS 148 HE2 LYS 148 -1.685 28.027 0.237 1180 HE3 LYS 148 HE3 LYS 148 -3.219 28.655 0.839 1181 HZ1 LYS 148 HZ1 LYS 148 -0.585 29.997 1.092 1182 HZ2 LYS 148 HZ2 LYS 148 -2.057 30.603 1.669 1183 HZ3 LYS 148 HZ3 LYS 148 -1.809 30.424 -0.000 1184 H1 JPT 201 H7 UNK 201 -3.617 9.896 28.393 1185 H11 JPT 201 H11 UNK 201 -4.612 7.549 29.031 1186 H12 JPT 201 H12 UNK 201 -2.539 5.464 25.439 1187 H13 JPT 201 H13 UNK 201 -2.474 8.068 25.293 1188 H62 JPT 201 H62 UNK 201 -6.699 8.124 24.151 1189 H61 JPT 201 H61 UNK 201 -8.240 8.994 24.311 1190 H3 JPT 201 H3 UNK 201 -5.875 9.946 22.930 1191 H4 JPT 201 H4 UNK 201 -5.797 12.325 28.902 1192 H2 JPT 201 H2 UNK 201 -8.464 10.919 25.653 Start of MODEL 17 1 HA MET 1 HA MET 1 -5.004 11.201 -5.187 2 HB2 MET 1 HB2 MET 1 -3.334 12.825 -7.102 3 HB3 MET 1 HB3 MET 1 -4.853 12.071 -7.574 4 HG2 MET 1 HG2 MET 1 -6.002 13.340 -5.820 5 HG3 MET 1 HG3 MET 1 -4.480 14.130 -5.415 6 HE1 MET 1 HE1 MET 1 -3.142 14.598 -8.261 7 HE2 MET 1 HE2 MET 1 -3.213 15.841 -7.013 8 HE3 MET 1 HE3 MET 1 -3.738 16.206 -8.658 9 H GLN 2 H GLN 2 -5.360 10.063 -7.427 10 HA GLN 2 HA GLN 2 -5.045 8.276 -8.772 11 HB2 GLN 2 HB2 GLN 2 -2.880 9.386 -9.336 12 HB3 GLN 2 HB3 GLN 2 -2.114 8.453 -8.059 13 HG2 GLN 2 HG2 GLN 2 -2.887 6.382 -9.282 14 HG3 GLN 2 HG3 GLN 2 -3.321 7.446 -10.620 15 HE21 GLN 2 HE21 GLN 2 -0.733 6.044 -8.787 16 HE22 GLN 2 HE22 GLN 2 0.540 6.489 -9.874 17 H ALA 3 H ALA 3 -4.977 8.235 -5.643 18 HA ALA 3 HA ALA 3 -5.009 5.372 -5.406 19 HB1 ALA 3 HB1 ALA 3 -2.600 5.833 -5.234 20 HB2 ALA 3 HB2 ALA 3 -3.262 5.186 -3.732 21 HB3 ALA 3 HB3 ALA 3 -2.914 6.910 -3.872 22 H LYS 4 H LYS 4 -6.242 4.686 -3.746 23 HA LYS 4 HA LYS 4 -6.979 6.658 -1.695 24 HB2 LYS 4 HB2 LYS 4 -8.629 4.521 -2.996 25 HB3 LYS 4 HB3 LYS 4 -9.064 5.176 -1.424 26 HG2 LYS 4 HG2 LYS 4 -8.687 6.825 -3.915 27 HG3 LYS 4 HG3 LYS 4 -10.246 6.249 -3.319 28 HD2 LYS 4 HD2 LYS 4 -9.970 7.504 -1.271 29 HD3 LYS 4 HD3 LYS 4 -8.341 7.986 -1.753 30 HE2 LYS 4 HE2 LYS 4 -9.272 9.202 -3.662 31 HE3 LYS 4 HE3 LYS 4 -10.897 8.725 -3.172 32 HZ1 LYS 4 HZ1 LYS 4 -10.239 10.995 -2.465 33 HZ2 LYS 4 HZ2 LYS 4 -9.066 10.307 -1.451 34 HZ3 LYS 4 HZ3 LYS 4 -10.700 9.993 -1.183 35 HA PRO 5 HA PRO 5 -4.603 3.468 0.450 36 HB2 PRO 5 HB2 PRO 5 -3.711 5.097 2.413 37 HB3 PRO 5 HB3 PRO 5 -2.974 5.045 0.808 38 HG2 PRO 5 HG2 PRO 5 -4.915 7.012 1.939 39 HG3 PRO 5 HG3 PRO 5 -3.494 7.303 0.920 40 HD2 PRO 5 HD2 PRO 5 -6.052 7.259 -0.029 41 HD3 PRO 5 HD3 PRO 5 -4.640 6.833 -1.016 42 H GLN 6 H GLN 6 -5.705 2.091 1.615 43 HA GLN 6 HA GLN 6 -7.514 3.121 3.699 44 HB2 GLN 6 HB2 GLN 6 -8.922 1.126 3.321 45 HB3 GLN 6 HB3 GLN 6 -8.822 2.149 1.895 46 HG2 GLN 6 HG2 GLN 6 -7.334 0.646 0.821 47 HG3 GLN 6 HG3 GLN 6 -7.108 -0.288 2.299 48 HE21 GLN 6 HE21 GLN 6 -9.244 0.419 -0.350 49 HE22 GLN 6 HE22 GLN 6 -10.323 -0.911 -0.096 50 H ILE 7 H ILE 7 -7.632 2.037 5.594 51 HA ILE 7 HA ILE 7 -5.248 0.597 6.350 52 HB ILE 7 HB ILE 7 -7.622 1.640 7.887 53 HG12 ILE 7 HG12 ILE 7 -4.786 2.459 8.314 54 HG13 ILE 7 HG13 ILE 7 -5.633 3.058 6.891 55 HG21 ILE 7 HG21 ILE 7 -6.876 -0.399 8.976 56 HG22 ILE 7 HG22 ILE 7 -6.453 1.016 9.940 57 HG23 ILE 7 HG23 ILE 7 -5.216 0.200 8.985 58 HD11 ILE 7 HD11 ILE 7 -5.733 4.610 8.772 59 HD12 ILE 7 HD12 ILE 7 -6.571 3.384 9.729 60 HD13 ILE 7 HD13 ILE 7 -7.330 4.047 8.278 61 HA PRO 8 HA PRO 8 -7.323 -3.311 5.704 62 HB2 PRO 8 HB2 PRO 8 -5.273 -4.895 6.471 63 HB3 PRO 8 HB3 PRO 8 -5.286 -4.054 4.915 64 HG2 PRO 8 HG2 PRO 8 -3.902 -3.302 7.463 65 HG3 PRO 8 HG3 PRO 8 -3.285 -3.260 5.800 66 HD2 PRO 8 HD2 PRO 8 -4.199 -1.048 7.085 67 HD3 PRO 8 HD3 PRO 8 -4.329 -1.262 5.328 68 H LYS 9 H LYS 9 -7.284 -5.460 7.120 69 HA LYS 9 HA LYS 9 -8.055 -4.612 9.809 70 HB2 LYS 9 HB2 LYS 9 -9.074 -6.967 9.909 71 HB3 LYS 9 HB3 LYS 9 -9.853 -5.781 8.880 72 HG2 LYS 9 HG2 LYS 9 -7.871 -7.739 7.777 73 HG3 LYS 9 HG3 LYS 9 -9.567 -8.167 8.000 74 HD2 LYS 9 HD2 LYS 9 -8.508 -5.888 6.319 75 HD3 LYS 9 HD3 LYS 9 -9.156 -7.412 5.716 76 HE2 LYS 9 HE2 LYS 9 -11.334 -6.877 6.693 77 HE3 LYS 9 HE3 LYS 9 -10.688 -5.358 7.312 78 HZ1 LYS 9 HZ1 LYS 9 -11.917 -5.008 5.271 79 HZ2 LYS 9 HZ2 LYS 9 -10.927 -6.107 4.442 80 HZ3 LYS 9 HZ3 LYS 9 -10.277 -4.654 5.023 81 H ASP 10 H ASP 10 -5.374 -5.554 8.399 82 HA ASP 10 HA ASP 10 -4.445 -7.319 10.535 83 HB2 ASP 10 HB2 ASP 10 -3.821 -7.775 8.140 84 HB3 ASP 10 HB3 ASP 10 -2.912 -6.268 8.142 85 H LYS 11 H LYS 11 -4.053 -6.193 12.341 86 HA LYS 11 HA LYS 11 -3.142 -3.453 12.227 87 HB2 LYS 11 HB2 LYS 11 -3.906 -5.285 14.495 88 HB3 LYS 11 HB3 LYS 11 -3.347 -3.633 14.735 89 HG2 LYS 11 HG2 LYS 11 -5.218 -2.790 13.441 90 HG3 LYS 11 HG3 LYS 11 -5.764 -4.436 13.129 91 HD2 LYS 11 HD2 LYS 11 -5.451 -3.329 15.908 92 HD3 LYS 11 HD3 LYS 11 -6.954 -3.188 14.996 93 HE2 LYS 11 HE2 LYS 11 -5.546 -5.754 15.723 94 HE3 LYS 11 HE3 LYS 11 -6.999 -5.114 16.490 95 HZ1 LYS 11 HZ1 LYS 11 -7.713 -6.711 14.945 96 HZ2 LYS 11 HZ2 LYS 11 -6.699 -6.125 13.726 97 HZ3 LYS 11 HZ3 LYS 11 -8.041 -5.210 14.216 98 H SER 12 H SER 12 -1.420 -6.045 11.685 99 HA SER 12 HA SER 12 0.783 -5.253 13.469 100 HB2 SER 12 HB2 SER 12 0.040 -7.680 13.438 101 HB3 SER 12 HB3 SER 12 0.642 -7.760 11.783 102 HG SER 12 HG SER 12 2.581 -7.965 12.555 103 H LYS 13 H LYS 13 -0.420 -4.795 10.417 104 HA LYS 13 HA LYS 13 2.171 -4.499 9.113 105 HB2 LYS 13 HB2 LYS 13 -0.641 -4.021 8.119 106 HB3 LYS 13 HB3 LYS 13 0.802 -3.744 7.156 107 HG2 LYS 13 HG2 LYS 13 1.372 -6.134 7.402 108 HG3 LYS 13 HG3 LYS 13 -0.156 -6.376 8.253 109 HD2 LYS 13 HD2 LYS 13 -1.390 -5.620 6.309 110 HD3 LYS 13 HD3 LYS 13 0.119 -5.284 5.458 111 HE2 LYS 13 HE2 LYS 13 0.695 -7.668 5.560 112 HE3 LYS 13 HE3 LYS 13 -0.822 -7.994 6.398 113 HZ1 LYS 13 HZ1 LYS 13 -2.036 -7.244 4.461 114 HZ2 LYS 13 HZ2 LYS 13 -0.948 -8.473 4.017 115 HZ3 LYS 13 HZ3 LYS 13 -0.591 -6.859 3.660 116 H VAL 14 H VAL 14 2.110 -2.351 7.645 117 HA VAL 14 HA VAL 14 1.623 -0.116 9.492 118 HB VAL 14 HB VAL 14 3.990 -0.458 8.979 119 HG11 VAL 14 HG11 VAL 14 3.815 -1.499 6.807 120 HG12 VAL 14 HG12 VAL 14 4.862 -0.082 6.724 121 HG13 VAL 14 HG13 VAL 14 3.210 0.004 6.110 122 HG21 VAL 14 HG21 VAL 14 3.213 1.806 9.395 123 HG22 VAL 14 HG22 VAL 14 2.869 2.018 7.679 124 HG23 VAL 14 HG23 VAL 14 4.533 1.806 8.226 125 H ALA 15 H ALA 15 0.435 1.617 8.801 126 HA ALA 15 HA ALA 15 -0.911 1.301 6.207 127 HB1 ALA 15 HB1 ALA 15 -2.339 1.444 8.199 128 HB2 ALA 15 HB2 ALA 15 -2.614 2.789 7.093 129 HB3 ALA 15 HB3 ALA 15 -1.663 3.033 8.557 130 H GLY 16 H GLY 16 1.139 3.416 8.032 131 HA2 GLY 16 HA2 GLY 16 1.932 4.854 5.682 132 HA3 GLY 16 HA3 GLY 16 0.965 5.834 6.783 133 H TYR 17 H TYR 17 3.623 6.482 6.231 134 HA TYR 17 HA TYR 17 4.976 5.677 8.722 135 HB2 TYR 17 HB2 TYR 17 6.217 6.840 6.220 136 HB3 TYR 17 HB3 TYR 17 7.082 6.307 7.655 137 HD1 TYR 17 HD1 TYR 17 7.590 4.010 8.001 138 HD2 TYR 17 HD2 TYR 17 5.091 5.171 4.762 139 HE1 TYR 17 HE1 TYR 17 7.775 1.749 7.055 140 HE2 TYR 17 HE2 TYR 17 5.261 2.916 3.811 141 HH TYR 17 HH TYR 17 6.736 0.994 3.885 142 H ILE 18 H ILE 18 5.537 7.177 10.178 143 HA ILE 18 HA ILE 18 4.656 9.912 9.636 144 HB ILE 18 HB ILE 18 3.696 8.914 11.637 145 HG12 ILE 18 HG12 ILE 18 4.361 10.649 13.283 146 HG13 ILE 18 HG13 ILE 18 5.720 11.075 12.244 147 HG21 ILE 18 HG21 ILE 18 6.532 8.609 12.584 148 HG22 ILE 18 HG22 ILE 18 5.388 7.314 12.227 149 HG23 ILE 18 HG23 ILE 18 5.103 8.392 13.595 150 HD11 ILE 18 HD11 ILE 18 3.871 12.617 11.956 151 HD12 ILE 18 HD12 ILE 18 2.806 11.279 11.516 152 HD13 ILE 18 HD13 ILE 18 4.166 11.706 10.475 153 H GLU 19 H GLU 19 6.160 11.148 8.853 154 HA GLU 19 HA GLU 19 8.911 10.786 9.793 155 HB2 GLU 19 HB2 GLU 19 8.003 11.830 7.104 156 HB3 GLU 19 HB3 GLU 19 9.674 11.646 7.627 157 HG2 GLU 19 HG2 GLU 19 9.330 9.227 7.832 158 HG3 GLU 19 HG3 GLU 19 7.673 9.425 7.268 159 H ILE 20 H ILE 20 9.200 12.197 11.299 160 HA ILE 20 HA ILE 20 8.695 15.032 10.685 161 HB ILE 20 HB ILE 20 8.789 13.818 13.457 162 HG12 ILE 20 HG12 ILE 20 6.337 14.783 11.980 163 HG13 ILE 20 HG13 ILE 20 6.814 13.090 12.042 164 HG21 ILE 20 HG21 ILE 20 7.956 16.551 12.480 165 HG22 ILE 20 HG22 ILE 20 9.449 16.165 13.336 166 HG23 ILE 20 HG23 ILE 20 7.895 15.993 14.153 167 HD11 ILE 20 HD11 ILE 20 6.602 13.114 14.466 168 HD12 ILE 20 HD12 ILE 20 5.096 13.588 13.677 169 HD13 ILE 20 HD13 ILE 20 6.134 14.815 14.408 170 HA PRO 21 HA PRO 21 13.206 14.336 10.730 171 HB2 PRO 21 HB2 PRO 21 13.183 16.996 9.449 172 HB3 PRO 21 HB3 PRO 21 13.883 15.479 8.875 173 HG2 PRO 21 HG2 PRO 21 11.685 16.506 7.749 174 HG3 PRO 21 HG3 PRO 21 11.897 14.760 7.949 175 HD2 PRO 21 HD2 PRO 21 10.262 16.661 9.579 176 HD3 PRO 21 HD3 PRO 21 9.860 15.023 9.018 177 H ASP 22 H ASP 22 11.271 16.942 11.831 178 HA ASP 22 HA ASP 22 13.319 18.408 13.168 179 HB2 ASP 22 HB2 ASP 22 11.041 19.302 12.464 180 HB3 ASP 22 HB3 ASP 22 10.382 18.444 13.848 181 H ALA 23 H ALA 23 11.330 15.664 13.993 182 HA ALA 23 HA ALA 23 12.240 15.852 16.789 183 HB1 ALA 23 HB1 ALA 23 10.303 14.468 17.366 184 HB2 ALA 23 HB2 ALA 23 9.836 14.413 15.667 185 HB3 ALA 23 HB3 ALA 23 9.811 15.947 16.537 186 H ASP 24 H ASP 24 13.278 14.565 14.132 187 HA ASP 24 HA ASP 24 14.576 12.803 13.546 188 HB2 ASP 24 HB2 ASP 24 15.691 13.312 15.709 189 HB3 ASP 24 HB3 ASP 24 14.607 12.182 16.510 190 H ILE 25 H ILE 25 11.696 12.551 13.630 191 HA ILE 25 HA ILE 25 11.303 9.717 14.296 192 HB ILE 25 HB ILE 25 9.303 11.914 13.728 193 HG12 ILE 25 HG12 ILE 25 9.966 10.428 16.281 194 HG13 ILE 25 HG13 ILE 25 10.453 12.078 15.906 195 HG21 ILE 25 HG21 ILE 25 8.455 9.773 12.940 196 HG22 ILE 25 HG22 ILE 25 7.588 10.281 14.391 197 HG23 ILE 25 HG23 ILE 25 8.831 9.032 14.496 198 HD11 ILE 25 HD11 ILE 25 7.614 11.128 16.169 199 HD12 ILE 25 HD12 ILE 25 8.144 12.786 15.895 200 HD13 ILE 25 HD13 ILE 25 8.528 11.976 17.414 201 H LYS 26 H LYS 26 11.452 8.307 12.703 202 HA LYS 26 HA LYS 26 10.439 9.016 10.029 203 HB2 LYS 26 HB2 LYS 26 13.026 7.505 10.530 204 HB3 LYS 26 HB3 LYS 26 12.326 7.863 8.962 205 HG2 LYS 26 HG2 LYS 26 14.019 9.421 9.138 206 HG3 LYS 26 HG3 LYS 26 12.605 10.340 9.653 207 HD2 LYS 26 HD2 LYS 26 14.482 10.782 11.133 208 HD3 LYS 26 HD3 LYS 26 13.213 9.919 12.004 209 HE2 LYS 26 HE2 LYS 26 14.467 7.806 11.605 210 HE3 LYS 26 HE3 LYS 26 15.766 8.758 10.891 211 HZ1 LYS 26 HZ1 LYS 26 16.283 8.293 13.166 212 HZ2 LYS 26 HZ2 LYS 26 14.796 8.896 13.696 213 HZ3 LYS 26 HZ3 LYS 26 15.950 9.948 13.037 214 H GLU 27 H GLU 27 8.942 7.727 11.836 215 HA GLU 27 HA GLU 27 9.640 4.870 11.813 216 HB2 GLU 27 HB2 GLU 27 7.678 6.178 13.680 217 HB3 GLU 27 HB3 GLU 27 8.556 4.673 13.895 218 HG2 GLU 27 HG2 GLU 27 9.661 7.464 14.036 219 HG3 GLU 27 HG3 GLU 27 9.468 6.320 15.362 220 HA PRO 28 HA PRO 28 5.818 3.990 9.691 221 HB2 PRO 28 HB2 PRO 28 5.523 1.384 10.277 222 HB3 PRO 28 HB3 PRO 28 6.814 1.959 9.216 223 HG2 PRO 28 HG2 PRO 28 6.937 1.129 12.075 224 HG3 PRO 28 HG3 PRO 28 8.112 0.863 10.776 225 HD2 PRO 28 HD2 PRO 28 8.295 2.840 12.714 226 HD3 PRO 28 HD3 PRO 28 9.137 2.861 11.153 227 H VAL 29 H VAL 29 3.630 3.976 10.089 228 HA VAL 29 HA VAL 29 2.826 3.928 12.921 229 HB VAL 29 HB VAL 29 1.347 5.082 10.544 230 HG11 VAL 29 HG11 VAL 29 -0.140 6.078 12.215 231 HG12 VAL 29 HG12 VAL 29 0.737 5.240 13.495 232 HG13 VAL 29 HG13 VAL 29 -0.167 4.316 12.295 233 HG21 VAL 29 HG21 VAL 29 2.869 6.453 12.757 234 HG22 VAL 29 HG22 VAL 29 1.905 7.261 11.521 235 HG23 VAL 29 HG23 VAL 29 3.349 6.358 11.063 236 H TYR 30 H TYR 30 1.562 2.355 13.660 237 HA TYR 30 HA TYR 30 0.622 0.374 11.720 238 HB2 TYR 30 HB2 TYR 30 0.953 0.084 14.713 239 HB3 TYR 30 HB3 TYR 30 0.616 -1.206 13.560 240 HD1 TYR 30 HD1 TYR 30 3.155 0.594 15.278 241 HD2 TYR 30 HD2 TYR 30 2.386 -1.607 11.722 242 HE1 TYR 30 HE1 TYR 30 5.569 0.251 14.974 243 HE2 TYR 30 HE2 TYR 30 4.797 -1.957 11.406 244 HH TYR 30 HH TYR 30 7.124 -1.024 13.869 245 HA PRO 31 HA PRO 31 -3.563 1.630 12.528 246 HB2 PRO 31 HB2 PRO 31 -4.774 -0.538 11.426 247 HB3 PRO 31 HB3 PRO 31 -4.079 0.770 10.462 248 HG2 PRO 31 HG2 PRO 31 -2.925 -1.909 11.137 249 HG3 PRO 31 HG3 PRO 31 -2.910 -1.040 9.589 250 HD2 PRO 31 HD2 PRO 31 -0.778 -1.089 11.248 251 HD3 PRO 31 HD3 PRO 31 -1.154 0.307 10.219 252 H GLY 32 H GLY 32 -5.065 1.222 14.113 253 HA2 GLY 32 HA2 GLY 32 -5.824 -1.172 15.178 254 HA3 GLY 32 HA3 GLY 32 -4.396 -0.722 16.101 255 HA PRO 33 HA PRO 33 -8.110 1.604 17.772 256 HB2 PRO 33 HB2 PRO 33 -9.026 -0.445 19.489 257 HB3 PRO 33 HB3 PRO 33 -9.785 0.141 18.018 258 HG2 PRO 33 HG2 PRO 33 -8.711 -2.410 18.381 259 HG3 PRO 33 HG3 PRO 33 -9.111 -1.673 16.820 260 HD2 PRO 33 HD2 PRO 33 -6.477 -1.869 18.208 261 HD3 PRO 33 HD3 PRO 33 -6.859 -1.989 16.473 262 H ALA 34 H ALA 34 -5.391 1.392 18.441 263 HA ALA 34 HA ALA 34 -3.896 1.912 20.077 264 HB1 ALA 34 HB1 ALA 34 -4.701 3.003 22.108 265 HB2 ALA 34 HB2 ALA 34 -6.348 2.492 21.739 266 HB3 ALA 34 HB3 ALA 34 -5.525 3.640 20.683 267 H THR 35 H THR 35 -4.671 -0.780 19.702 268 HA THR 35 HA THR 35 -5.093 -2.048 22.231 269 HB THR 35 HB THR 35 -4.267 -4.068 20.650 270 HG1 THR 35 HG1 THR 35 -4.097 -3.427 18.645 271 HG21 THR 35 HG21 THR 35 -6.464 -3.908 21.708 272 HG22 THR 35 HG22 THR 35 -6.628 -4.364 20.012 273 HG23 THR 35 HG23 THR 35 -6.965 -2.707 20.517 274 HA PRO 36 HA PRO 36 -1.193 -2.412 24.119 275 HB2 PRO 36 HB2 PRO 36 -1.024 -5.205 24.425 276 HB3 PRO 36 HB3 PRO 36 -1.725 -4.059 25.569 277 HG2 PRO 36 HG2 PRO 36 -3.067 -5.765 23.533 278 HG3 PRO 36 HG3 PRO 36 -3.630 -5.272 25.141 279 HD2 PRO 36 HD2 PRO 36 -4.624 -4.152 22.928 280 HD3 PRO 36 HD3 PRO 36 -4.331 -3.186 24.389 281 H GLU 37 H GLU 37 -1.465 -5.211 21.893 282 HA GLU 37 HA GLU 37 1.293 -5.515 21.539 283 HB2 GLU 37 HB2 GLU 37 -1.053 -6.381 19.864 284 HB3 GLU 37 HB3 GLU 37 0.604 -6.790 19.440 285 HG2 GLU 37 HG2 GLU 37 -0.796 -7.530 21.999 286 HG3 GLU 37 HG3 GLU 37 -0.470 -8.605 20.639 287 H GLN 38 H GLN 38 -1.006 -3.520 19.774 288 HA GLN 38 HA GLN 38 0.670 -2.902 17.586 289 HB2 GLN 38 HB2 GLN 38 -1.749 -1.606 18.794 290 HB3 GLN 38 HB3 GLN 38 -0.854 -0.784 17.527 291 HG2 GLN 38 HG2 GLN 38 -2.842 -2.104 16.768 292 HG3 GLN 38 HG3 GLN 38 -1.326 -2.478 15.955 293 HE21 GLN 38 HE21 GLN 38 -0.443 -4.492 16.169 294 HE22 GLN 38 HE22 GLN 38 -1.247 -5.815 16.951 295 H LEU 39 H LEU 39 0.089 -1.288 20.681 296 HA LEU 39 HA LEU 39 1.987 0.800 20.232 297 HB2 LEU 39 HB2 LEU 39 0.867 -0.261 22.832 298 HB3 LEU 39 HB3 LEU 39 1.715 1.258 22.629 299 HG LEU 39 HG LEU 39 -0.921 0.599 21.316 300 HD11 LEU 39 HD11 LEU 39 -1.173 0.695 23.731 301 HD12 LEU 39 HD12 LEU 39 -1.900 2.111 22.973 302 HD13 LEU 39 HD13 LEU 39 -0.334 2.246 23.773 303 HD21 LEU 39 HD21 LEU 39 -1.005 3.005 20.873 304 HD22 LEU 39 HD22 LEU 39 0.392 2.255 20.101 305 HD23 LEU 39 HD23 LEU 39 0.599 3.192 21.581 306 H ASN 40 H ASN 40 2.067 -2.407 21.575 307 HA ASN 40 HA ASN 40 4.581 -2.329 22.818 308 HB2 ASN 40 HB2 ASN 40 2.975 -4.130 23.201 309 HB3 ASN 40 HB3 ASN 40 3.122 -4.649 21.528 310 HD21 ASN 40 HD21 ASN 40 3.724 -6.702 22.176 311 HD22 ASN 40 HD22 ASN 40 5.296 -7.043 22.798 312 H ARG 41 H ARG 41 3.643 -3.096 19.470 313 HA ARG 41 HA ARG 41 6.350 -3.545 18.638 314 HB2 ARG 41 HB2 ARG 41 4.004 -2.784 16.900 315 HB3 ARG 41 HB3 ARG 41 5.502 -3.542 16.384 316 HG2 ARG 41 HG2 ARG 41 4.840 -5.444 17.955 317 HG3 ARG 41 HG3 ARG 41 3.235 -4.711 17.915 318 HD2 ARG 41 HD2 ARG 41 3.360 -6.424 16.224 319 HD3 ARG 41 HD3 ARG 41 3.283 -4.845 15.442 320 HE ARG 41 HE ARG 41 5.785 -6.380 15.795 321 HH11 ARG 41 HH11 ARG 41 3.670 -4.379 13.845 322 HH12 ARG 41 HH12 ARG 41 4.830 -4.166 12.572 323 HH21 ARG 41 HH21 ARG 41 7.333 -6.068 14.129 324 HH22 ARG 41 HH22 ARG 41 6.920 -5.097 12.745 325 H GLY 42 H GLY 42 4.051 -0.864 18.258 326 HA2 GLY 42 HA2 GLY 42 6.256 0.998 18.124 327 HA3 GLY 42 HA3 GLY 42 5.363 0.803 16.626 328 H VAL 43 H VAL 43 3.520 1.922 16.343 329 HA VAL 43 HA VAL 43 2.234 3.154 18.660 330 HB VAL 43 HB VAL 43 3.891 4.762 17.623 331 HG11 VAL 43 HG11 VAL 43 3.613 4.155 15.288 332 HG12 VAL 43 HG12 VAL 43 3.267 5.867 15.528 333 HG13 VAL 43 HG13 VAL 43 1.943 4.721 15.320 334 HG21 VAL 43 HG21 VAL 43 0.989 5.559 17.588 335 HG22 VAL 43 HG22 VAL 43 2.359 6.665 17.681 336 HG23 VAL 43 HG23 VAL 43 2.050 5.533 18.996 337 H SER 44 H SER 44 0.022 3.732 18.259 338 HA SER 44 HA SER 44 -1.106 2.356 15.915 339 HB2 SER 44 HB2 SER 44 -1.401 0.955 17.881 340 HB3 SER 44 HB3 SER 44 -2.092 2.305 18.779 341 HG SER 44 HG SER 44 -3.792 2.308 17.168 342 H PHE 45 H PHE 45 -3.157 3.138 15.182 343 HA PHE 45 HA PHE 45 -3.588 5.939 15.435 344 HB2 PHE 45 HB2 PHE 45 -5.171 3.707 14.184 345 HB3 PHE 45 HB3 PHE 45 -5.821 5.339 14.281 346 HD1 PHE 45 HD1 PHE 45 -3.587 7.040 13.669 347 HD2 PHE 45 HD2 PHE 45 -4.637 3.266 12.004 348 HE1 PHE 45 HE1 PHE 45 -2.443 7.651 11.579 349 HE2 PHE 45 HE2 PHE 45 -3.493 3.866 9.909 350 HZ PHE 45 HZ PHE 45 -2.396 6.067 9.698 351 H ALA 46 H ALA 46 -5.991 6.647 15.887 352 HA ALA 46 HA ALA 46 -6.498 6.222 18.636 353 HB1 ALA 46 HB1 ALA 46 -8.477 7.581 18.303 354 HB2 ALA 46 HB2 ALA 46 -8.354 7.379 16.556 355 HB3 ALA 46 HB3 ALA 46 -7.115 8.281 17.430 356 H GLU 47 H GLU 47 -8.121 5.053 15.709 357 HA GLU 47 HA GLU 47 -9.033 2.719 17.162 358 HB2 GLU 47 HB2 GLU 47 -11.371 2.977 16.434 359 HB3 GLU 47 HB3 GLU 47 -10.870 4.251 17.534 360 HG2 GLU 47 HG2 GLU 47 -10.577 5.766 15.631 361 HG3 GLU 47 HG3 GLU 47 -11.112 4.483 14.545 362 H GLU 48 H GLU 48 -10.639 1.540 15.329 363 HA GLU 48 HA GLU 48 -8.584 0.915 13.347 364 HB2 GLU 48 HB2 GLU 48 -9.554 -0.812 14.939 365 HB3 GLU 48 HB3 GLU 48 -11.045 -0.699 14.018 366 HG2 GLU 48 HG2 GLU 48 -9.854 -1.429 12.009 367 HG3 GLU 48 HG3 GLU 48 -8.365 -1.552 12.946 368 H ASN 49 H ASN 49 -11.842 2.129 13.591 369 HA ASN 49 HA ASN 49 -12.439 1.705 10.789 370 HB2 ASN 49 HB2 ASN 49 -14.175 1.667 12.610 371 HB3 ASN 49 HB3 ASN 49 -13.944 3.400 12.793 372 HD21 ASN 49 HD21 ASN 49 -13.958 1.594 9.751 373 HD22 ASN 49 HD22 ASN 49 -15.377 2.354 9.117 374 H GLU 50 H GLU 50 -10.652 3.955 12.508 375 HA GLU 50 HA GLU 50 -11.251 6.386 11.257 376 HB2 GLU 50 HB2 GLU 50 -9.789 6.067 13.278 377 HB3 GLU 50 HB3 GLU 50 -8.528 5.474 12.206 378 HG2 GLU 50 HG2 GLU 50 -8.298 7.575 11.159 379 HG3 GLU 50 HG3 GLU 50 -9.770 8.191 11.909 380 H SER 51 H SER 51 -10.339 7.431 9.425 381 HA SER 51 HA SER 51 -9.250 5.511 7.469 382 HB2 SER 51 HB2 SER 51 -11.277 7.694 6.939 383 HB3 SER 51 HB3 SER 51 -10.654 6.538 5.760 384 HG SER 51 HG SER 51 -11.898 5.655 8.139 385 H LEU 52 H LEU 52 -7.802 6.268 5.936 386 HA LEU 52 HA LEU 52 -6.187 8.477 6.843 387 HB2 LEU 52 HB2 LEU 52 -5.833 6.634 4.480 388 HB3 LEU 52 HB3 LEU 52 -4.624 7.739 5.104 389 HG LEU 52 HG LEU 52 -5.760 5.393 6.626 390 HD11 LEU 52 HD11 LEU 52 -4.417 4.670 4.718 391 HD12 LEU 52 HD12 LEU 52 -3.595 4.340 6.243 392 HD13 LEU 52 HD13 LEU 52 -3.096 5.710 5.252 393 HD21 LEU 52 HD21 LEU 52 -3.906 5.838 8.170 394 HD22 LEU 52 HD22 LEU 52 -5.034 7.191 8.082 395 HD23 LEU 52 HD23 LEU 52 -3.488 7.276 7.238 396 H ASP 53 H ASP 53 -8.766 8.210 4.727 397 HA ASP 53 HA ASP 53 -7.772 10.309 2.938 398 HB2 ASP 53 HB2 ASP 53 -8.779 8.168 2.017 399 HB3 ASP 53 HB3 ASP 53 -10.326 8.727 2.642 400 H ASP 54 H ASP 54 -9.212 10.204 5.795 401 HA ASP 54 HA ASP 54 -11.262 12.221 5.242 402 HB2 ASP 54 HB2 ASP 54 -11.612 10.187 6.814 403 HB3 ASP 54 HB3 ASP 54 -10.640 11.099 7.965 404 H GLN 55 H GLN 55 -11.288 13.905 7.256 405 HA GLN 55 HA GLN 55 -8.683 15.203 6.992 406 HB2 GLN 55 HB2 GLN 55 -9.898 17.260 7.736 407 HB3 GLN 55 HB3 GLN 55 -10.432 16.591 6.205 408 HG2 GLN 55 HG2 GLN 55 -12.390 17.182 7.265 409 HG3 GLN 55 HG3 GLN 55 -12.270 15.452 7.542 410 HE21 GLN 55 HE21 GLN 55 -10.424 17.891 9.290 411 HE22 GLN 55 HE22 GLN 55 -11.194 17.626 10.813 412 H ASN 56 H ASN 56 -10.379 13.402 9.220 413 HA ASN 56 HA ASN 56 -8.727 14.565 11.350 414 HB2 ASN 56 HB2 ASN 56 -10.327 14.147 13.032 415 HB3 ASN 56 HB3 ASN 56 -11.208 14.903 11.718 416 HD21 ASN 56 HD21 ASN 56 -11.671 12.686 10.074 417 HD22 ASN 56 HD22 ASN 56 -12.686 11.577 10.921 418 H ILE 57 H ILE 57 -7.043 13.347 11.560 419 HA ILE 57 HA ILE 57 -7.437 10.452 11.921 420 HB ILE 57 HB ILE 57 -5.008 11.725 10.635 421 HG12 ILE 57 HG12 ILE 57 -7.232 10.139 9.330 422 HG13 ILE 57 HG13 ILE 57 -7.067 11.890 9.238 423 HG21 ILE 57 HG21 ILE 57 -5.826 8.832 10.901 424 HG22 ILE 57 HG22 ILE 57 -4.560 9.633 11.832 425 HG23 ILE 57 HG23 ILE 57 -4.377 9.428 10.088 426 HD11 ILE 57 HD11 ILE 57 -6.257 10.815 7.230 427 HD12 ILE 57 HD12 ILE 57 -5.107 9.871 8.180 428 HD13 ILE 57 HD13 ILE 57 -4.943 11.625 8.083 429 H SER 58 H SER 58 -6.375 9.567 13.671 430 HA SER 58 HA SER 58 -4.853 11.466 15.324 431 HB2 SER 58 HB2 SER 58 -7.192 11.479 16.087 432 HB3 SER 58 HB3 SER 58 -7.139 9.728 16.291 433 HG SER 58 HG SER 58 -5.700 9.968 17.948 434 H ILE 59 H ILE 59 -3.121 10.637 16.292 435 HA ILE 59 HA ILE 59 -2.765 7.710 16.177 436 HB ILE 59 HB ILE 59 -0.537 9.755 16.172 437 HG12 ILE 59 HG12 ILE 59 -1.710 8.243 13.818 438 HG13 ILE 59 HG13 ILE 59 -1.902 9.969 14.117 439 HG21 ILE 59 HG21 ILE 59 -0.582 6.800 15.554 440 HG22 ILE 59 HG22 ILE 59 0.061 7.546 17.018 441 HG23 ILE 59 HG23 ILE 59 0.832 7.849 15.461 442 HD11 ILE 59 HD11 ILE 59 0.721 8.579 13.621 443 HD12 ILE 59 HD12 ILE 59 0.472 10.312 13.821 444 HD13 ILE 59 HD13 ILE 59 -0.203 9.480 12.419 445 H ALA 60 H ALA 60 -2.421 6.707 18.069 446 HA ALA 60 HA ALA 60 -2.511 8.359 20.464 447 HB1 ALA 60 HB1 ALA 60 -2.762 5.368 20.175 448 HB2 ALA 60 HB2 ALA 60 -4.109 6.504 20.216 449 HB3 ALA 60 HB3 ALA 60 -3.080 6.307 21.635 450 H GLY 61 H GLY 61 -0.668 8.981 21.301 451 HA2 GLY 61 HA2 GLY 61 1.685 7.214 21.105 452 HA3 GLY 61 HA3 GLY 61 1.734 8.947 21.401 453 H HIS 62 H HIS 62 2.716 6.458 22.875 454 HA HIS 62 HA HIS 62 1.917 7.347 25.524 455 HB2 HIS 62 HB2 HIS 62 0.256 5.648 25.091 456 HB3 HIS 62 HB3 HIS 62 1.483 4.525 24.522 457 HD1 HIS 62 HD1 HIS 62 2.855 3.271 26.290 458 HD2 HIS 62 HD2 HIS 62 0.046 5.878 27.895 459 HE1 HIS 62 HE1 HIS 62 2.683 2.661 28.724 460 H THR 63 H THR 63 3.924 7.912 26.132 461 HA THR 63 HA THR 63 6.336 6.726 25.441 462 HB THR 63 HB THR 63 5.961 7.956 28.152 463 HG1 THR 63 HG1 THR 63 5.895 10.005 27.153 464 HG21 THR 63 HG21 THR 63 8.205 7.247 27.401 465 HG22 THR 63 HG22 THR 63 8.100 8.994 27.624 466 HG23 THR 63 HG23 THR 63 8.051 8.309 25.998 467 H PHE 64 H PHE 64 7.699 5.230 26.522 468 HA PHE 64 HA PHE 64 6.496 3.681 28.689 469 HB2 PHE 64 HB2 PHE 64 5.909 2.574 26.536 470 HB3 PHE 64 HB3 PHE 64 7.624 2.418 26.178 471 HD1 PHE 64 HD1 PHE 64 8.771 0.515 26.844 472 HD2 PHE 64 HD2 PHE 64 5.073 1.481 28.717 473 HE1 PHE 64 HE1 PHE 64 8.819 -1.635 28.038 474 HE2 PHE 64 HE2 PHE 64 5.115 -0.668 29.912 475 HZ PHE 64 HZ PHE 64 6.989 -2.228 29.577 476 H ILE 65 H ILE 65 7.986 2.544 29.957 477 HA ILE 65 HA ILE 65 10.280 3.943 30.591 478 HB ILE 65 HB ILE 65 9.777 1.029 31.216 479 HG12 ILE 65 HG12 ILE 65 8.884 3.473 32.770 480 HG13 ILE 65 HG13 ILE 65 7.828 2.500 31.753 481 HG21 ILE 65 HG21 ILE 65 11.376 3.149 32.651 482 HG22 ILE 65 HG22 ILE 65 12.022 1.765 31.768 483 HG23 ILE 65 HG23 ILE 65 11.087 1.512 33.242 484 HD11 ILE 65 HD11 ILE 65 8.222 0.570 33.187 485 HD12 ILE 65 HD12 ILE 65 7.573 1.933 34.100 486 HD13 ILE 65 HD13 ILE 65 9.290 1.539 34.200 487 H ASP 66 H ASP 66 10.045 0.860 28.831 488 HA ASP 66 HA ASP 66 12.931 0.749 28.536 489 HB2 ASP 66 HB2 ASP 66 11.415 -1.230 29.099 490 HB3 ASP 66 HB3 ASP 66 10.928 -1.200 27.411 491 H ARG 67 H ARG 67 11.737 2.908 27.140 492 HA ARG 67 HA ARG 67 12.987 2.476 24.631 493 HB2 ARG 67 HB2 ARG 67 10.945 3.053 23.237 494 HB3 ARG 67 HB3 ARG 67 11.024 1.423 23.883 495 HG2 ARG 67 HG2 ARG 67 9.491 2.075 25.681 496 HG3 ARG 67 HG3 ARG 67 9.394 3.698 24.988 497 HD2 ARG 67 HD2 ARG 67 7.478 2.446 24.264 498 HD3 ARG 67 HD3 ARG 67 8.546 2.691 22.883 499 HE ARG 67 HE ARG 67 9.169 0.228 24.056 500 HH11 ARG 67 HH11 ARG 67 6.556 1.751 22.299 501 HH12 ARG 67 HH12 ARG 67 5.954 0.266 21.637 502 HH21 ARG 67 HH21 ARG 67 8.383 -1.743 23.197 503 HH22 ARG 67 HH22 ARG 67 7.017 -1.719 22.121 504 HA PRO 68 HA PRO 68 13.095 6.886 25.843 505 HB2 PRO 68 HB2 PRO 68 15.724 7.194 25.323 506 HB3 PRO 68 HB3 PRO 68 15.140 6.525 26.854 507 HG2 PRO 68 HG2 PRO 68 16.265 5.125 24.470 508 HG3 PRO 68 HG3 PRO 68 16.517 4.783 26.190 509 HD2 PRO 68 HD2 PRO 68 14.797 3.382 24.573 510 HD3 PRO 68 HD3 PRO 68 14.624 3.514 26.333 511 H ASN 69 H ASN 69 13.334 5.105 23.067 512 HA ASN 69 HA ASN 69 13.462 7.389 21.314 513 HB2 ASN 69 HB2 ASN 69 15.853 6.718 21.898 514 HB3 ASN 69 HB3 ASN 69 15.544 5.221 21.028 515 HD21 ASN 69 HD21 ASN 69 17.415 7.400 20.567 516 HD22 ASN 69 HD22 ASN 69 17.130 7.925 18.930 517 H TYR 70 H TYR 70 11.363 6.573 20.889 518 HA TYR 70 HA TYR 70 11.413 4.461 18.858 519 HB2 TYR 70 HB2 TYR 70 9.480 3.350 19.738 520 HB3 TYR 70 HB3 TYR 70 10.595 3.536 21.086 521 HD1 TYR 70 HD1 TYR 70 10.203 5.589 22.635 522 HD2 TYR 70 HD2 TYR 70 7.289 4.067 19.936 523 HE1 TYR 70 HE1 TYR 70 8.438 6.742 23.897 524 HE2 TYR 70 HE2 TYR 70 5.518 5.211 21.190 525 HH TYR 70 HH TYR 70 6.133 7.623 23.422 526 H GLN 71 H GLN 71 8.829 4.459 18.148 527 HA GLN 71 HA GLN 71 8.145 6.171 16.337 528 HB2 GLN 71 HB2 GLN 71 6.146 5.652 18.534 529 HB3 GLN 71 HB3 GLN 71 5.815 5.916 16.830 530 HG2 GLN 71 HG2 GLN 71 7.380 3.560 17.844 531 HG3 GLN 71 HG3 GLN 71 5.631 3.548 17.662 532 HE21 GLN 71 HE21 GLN 71 5.642 5.182 15.292 533 HE22 GLN 71 HE22 GLN 71 6.185 4.158 14.011 534 H PHE 72 H PHE 72 6.736 7.076 19.486 535 HA PHE 72 HA PHE 72 7.276 9.888 18.797 536 HB2 PHE 72 HB2 PHE 72 4.895 8.691 20.221 537 HB3 PHE 72 HB3 PHE 72 5.245 10.413 20.220 538 HD1 PHE 72 HD1 PHE 72 2.734 9.060 19.222 539 HD2 PHE 72 HD2 PHE 72 6.304 10.252 17.245 540 HE1 PHE 72 HE1 PHE 72 1.481 9.309 17.119 541 HE2 PHE 72 HE2 PHE 72 5.060 10.511 15.139 542 HZ PHE 72 HZ PHE 72 2.642 10.039 15.075 543 H THR 73 H THR 73 9.141 10.175 19.962 544 HA THR 73 HA THR 73 8.792 10.083 22.884 545 HB THR 73 HB THR 73 11.558 9.641 21.979 546 HG1 THR 73 HG1 THR 73 10.161 8.301 20.531 547 HG21 THR 73 HG21 THR 73 11.523 8.039 23.826 548 HG22 THR 73 HG22 THR 73 9.779 8.250 23.983 549 HG23 THR 73 HG23 THR 73 10.865 9.596 24.333 550 H ASN 74 H ASN 74 10.786 11.293 20.204 551 HA ASN 74 HA ASN 74 11.812 13.461 21.833 552 HB2 ASN 74 HB2 ASN 74 13.246 12.126 20.263 553 HB3 ASN 74 HB3 ASN 74 12.358 12.840 18.921 554 HD21 ASN 74 HD21 ASN 74 14.227 13.766 18.095 555 HD22 ASN 74 HD22 ASN 74 14.970 15.144 18.830 556 H LEU 75 H LEU 75 8.986 13.475 21.244 557 HA LEU 75 HA LEU 75 8.448 15.329 19.140 558 HB2 LEU 75 HB2 LEU 75 6.815 14.235 21.409 559 HB3 LEU 75 HB3 LEU 75 6.197 15.509 20.375 560 HG LEU 75 HG LEU 75 7.074 12.783 19.421 561 HD11 LEU 75 HD11 LEU 75 4.313 13.947 19.744 562 HD12 LEU 75 HD12 LEU 75 5.034 12.717 20.782 563 HD13 LEU 75 HD13 LEU 75 4.708 12.358 19.087 564 HD21 LEU 75 HD21 LEU 75 5.707 15.054 17.980 565 HD22 LEU 75 HD22 LEU 75 6.068 13.466 17.303 566 HD23 LEU 75 HD23 LEU 75 7.382 14.552 17.757 567 H LYS 76 H LYS 76 9.825 15.744 22.155 568 HA LYS 76 HA LYS 76 8.676 18.306 22.727 569 HB2 LYS 76 HB2 LYS 76 10.477 18.438 24.474 570 HB3 LYS 76 HB3 LYS 76 9.424 17.039 24.608 571 HG2 LYS 76 HG2 LYS 76 11.553 16.196 25.024 572 HG3 LYS 76 HG3 LYS 76 11.249 15.768 23.341 573 HD2 LYS 76 HD2 LYS 76 12.559 17.730 22.625 574 HD3 LYS 76 HD3 LYS 76 12.886 18.112 24.317 575 HE2 LYS 76 HE2 LYS 76 13.668 15.534 22.959 576 HE3 LYS 76 HE3 LYS 76 14.741 16.915 23.171 577 HZ1 LYS 76 HZ1 LYS 76 13.442 15.441 25.395 578 HZ2 LYS 76 HZ2 LYS 76 14.578 16.685 25.540 579 HZ3 LYS 76 HZ3 LYS 76 15.030 15.189 24.874 580 H ALA 77 H ALA 77 10.991 17.208 20.569 581 HA ALA 77 HA ALA 77 12.477 19.697 20.445 582 HB1 ALA 77 HB1 ALA 77 13.665 18.641 18.577 583 HB2 ALA 77 HB2 ALA 77 12.554 17.272 18.645 584 HB3 ALA 77 HB3 ALA 77 13.641 17.594 19.997 585 H ALA 78 H ALA 78 9.572 18.485 19.365 586 HA ALA 78 HA ALA 78 9.454 19.814 16.798 587 HB1 ALA 78 HB1 ALA 78 8.300 17.721 17.050 588 HB2 ALA 78 HB2 ALA 78 7.095 18.995 16.839 589 HB3 ALA 78 HB3 ALA 78 7.407 18.329 18.447 590 H LYS 79 H LYS 79 7.839 21.420 16.310 591 HA LYS 79 HA LYS 79 6.490 22.816 18.421 592 HB2 LYS 79 HB2 LYS 79 7.531 25.045 17.865 593 HB3 LYS 79 HB3 LYS 79 8.553 23.944 18.761 594 HG2 LYS 79 HG2 LYS 79 8.759 24.157 15.782 595 HG3 LYS 79 HG3 LYS 79 9.583 25.296 16.848 596 HD2 LYS 79 HD2 LYS 79 10.653 23.364 17.985 597 HD3 LYS 79 HD3 LYS 79 9.916 22.299 16.790 598 HE2 LYS 79 HE2 LYS 79 11.106 23.564 15.017 599 HE3 LYS 79 HE3 LYS 79 11.920 24.491 16.279 600 HZ1 LYS 79 HZ1 LYS 79 13.390 22.774 15.714 601 HZ2 LYS 79 HZ2 LYS 79 12.161 21.603 15.680 602 HZ3 LYS 79 HZ3 LYS 79 12.667 22.253 17.157 603 H LYS 80 H LYS 80 5.954 25.183 17.107 604 HA LYS 80 HA LYS 80 3.681 24.554 15.771 605 HB2 LYS 80 HB2 LYS 80 3.729 26.876 14.873 606 HB3 LYS 80 HB3 LYS 80 4.037 26.757 16.600 607 HG2 LYS 80 HG2 LYS 80 6.480 26.905 16.085 608 HG3 LYS 80 HG3 LYS 80 6.039 27.251 14.411 609 HD2 LYS 80 HD2 LYS 80 5.188 28.860 16.817 610 HD3 LYS 80 HD3 LYS 80 6.480 29.297 15.699 611 HE2 LYS 80 HE2 LYS 80 4.915 29.517 13.889 612 HE3 LYS 80 HE3 LYS 80 3.605 28.884 14.886 613 HZ1 LYS 80 HZ1 LYS 80 5.074 31.409 15.436 614 HZ2 LYS 80 HZ2 LYS 80 3.729 30.813 16.284 615 HZ3 LYS 80 HZ3 LYS 80 3.559 31.316 14.674 616 H GLY 81 H GLY 81 6.859 24.976 14.217 617 HA2 GLY 81 HA2 GLY 81 5.517 24.156 11.723 618 HA3 GLY 81 HA3 GLY 81 6.774 25.386 11.733 619 H SER 82 H SER 82 6.395 22.104 13.085 620 HA SER 82 HA SER 82 9.140 21.490 12.493 621 HB2 SER 82 HB2 SER 82 6.868 19.824 13.582 622 HB3 SER 82 HB3 SER 82 8.527 19.250 13.413 623 HG SER 82 HG SER 82 9.193 20.596 14.971 624 H MET 83 H MET 83 6.449 21.584 10.599 625 HA MET 83 HA MET 83 5.595 20.506 8.812 626 HB2 MET 83 HB2 MET 83 8.548 20.461 8.305 627 HB3 MET 83 HB3 MET 83 7.380 19.914 7.104 628 HG2 MET 83 HG2 MET 83 7.427 22.644 8.368 629 HG3 MET 83 HG3 MET 83 8.043 22.244 6.776 630 HE1 MET 83 HE1 MET 83 5.660 20.061 5.905 631 HE2 MET 83 HE2 MET 83 6.491 21.210 4.853 632 HE3 MET 83 HE3 MET 83 4.729 21.192 4.923 633 H VAL 84 H VAL 84 4.572 18.786 9.616 634 HA VAL 84 HA VAL 84 5.950 16.269 10.025 635 HB VAL 84 HB VAL 84 2.998 16.927 10.168 636 HG11 VAL 84 HG11 VAL 84 3.405 14.559 9.780 637 HG12 VAL 84 HG12 VAL 84 2.805 14.832 11.416 638 HG13 VAL 84 HG13 VAL 84 4.519 14.516 11.147 639 HG21 VAL 84 HG21 VAL 84 4.317 18.177 11.812 640 HG22 VAL 84 HG22 VAL 84 5.024 16.667 12.389 641 HG23 VAL 84 HG23 VAL 84 3.297 16.965 12.584 642 H TYR 85 H TYR 85 6.320 14.913 8.392 643 HA TYR 85 HA TYR 85 4.673 15.133 5.980 644 HB2 TYR 85 HB2 TYR 85 7.268 13.630 6.393 645 HB3 TYR 85 HB3 TYR 85 6.434 13.861 4.860 646 HD1 TYR 85 HD1 TYR 85 8.917 15.121 7.050 647 HD2 TYR 85 HD2 TYR 85 6.119 16.324 4.082 648 HE1 TYR 85 HE1 TYR 85 10.211 17.175 6.674 649 HE2 TYR 85 HE2 TYR 85 7.406 18.385 3.698 650 HH TYR 85 HH TYR 85 10.556 18.828 4.883 651 H PHE 86 H PHE 86 2.915 13.877 6.103 652 HA PHE 86 HA PHE 86 3.111 11.285 7.414 653 HB2 PHE 86 HB2 PHE 86 1.126 12.727 7.827 654 HB3 PHE 86 HB3 PHE 86 0.696 12.577 6.126 655 HD1 PHE 86 HD1 PHE 86 1.791 10.159 8.752 656 HD2 PHE 86 HD2 PHE 86 -1.131 11.224 5.848 657 HE1 PHE 86 HE1 PHE 86 0.536 8.108 9.271 658 HE2 PHE 86 HE2 PHE 86 -2.387 9.171 6.355 659 HZ PHE 86 HZ PHE 86 -1.556 7.612 8.068 660 H LYS 87 H LYS 87 4.156 9.885 6.195 661 HA LYS 87 HA LYS 87 3.899 9.853 3.321 662 HB2 LYS 87 HB2 LYS 87 6.042 9.415 4.618 663 HB3 LYS 87 HB3 LYS 87 5.339 7.877 5.093 664 HG2 LYS 87 HG2 LYS 87 6.786 7.469 3.259 665 HG3 LYS 87 HG3 LYS 87 5.129 7.312 2.668 666 HD2 LYS 87 HD2 LYS 87 6.464 8.566 1.080 667 HD3 LYS 87 HD3 LYS 87 5.239 9.609 1.810 668 HE2 LYS 87 HE2 LYS 87 7.384 10.761 1.671 669 HE3 LYS 87 HE3 LYS 87 6.913 10.505 3.350 670 HZ1 LYS 87 HZ1 LYS 87 9.158 9.946 3.258 671 HZ2 LYS 87 HZ2 LYS 87 9.004 9.103 1.794 672 HZ3 LYS 87 HZ3 LYS 87 8.373 8.447 3.222 673 H VAL 88 H VAL 88 1.812 9.189 2.836 674 HA VAL 88 HA VAL 88 1.109 6.500 3.808 675 HB VAL 88 HB VAL 88 -0.416 8.075 4.773 676 HG11 VAL 88 HG11 VAL 88 -0.977 9.025 1.971 677 HG12 VAL 88 HG12 VAL 88 -0.148 9.930 3.236 678 HG13 VAL 88 HG13 VAL 88 -1.855 9.524 3.417 679 HG21 VAL 88 HG21 VAL 88 -1.352 5.945 4.086 680 HG22 VAL 88 HG22 VAL 88 -1.725 6.607 2.494 681 HG23 VAL 88 HG23 VAL 88 -2.549 7.231 3.923 682 H GLY 89 H GLY 89 0.999 4.993 2.348 683 HA2 GLY 89 HA2 GLY 89 0.861 3.912 0.323 684 HA3 GLY 89 HA3 GLY 89 -0.090 5.277 -0.251 685 H ASN 90 H ASN 90 0.913 6.970 -1.304 686 HA ASN 90 HA ASN 90 3.795 6.791 -1.773 687 HB2 ASN 90 HB2 ASN 90 2.331 5.694 -3.644 688 HB3 ASN 90 HB3 ASN 90 1.965 7.358 -4.076 689 HD21 ASN 90 HD21 ASN 90 5.018 6.213 -2.794 690 HD22 ASN 90 HD22 ASN 90 5.947 6.513 -4.222 691 H GLU 91 H GLU 91 1.478 8.500 -0.521 692 HA GLU 91 HA GLU 91 2.058 11.049 -1.841 693 HB2 GLU 91 HB2 GLU 91 -0.105 10.253 0.102 694 HB3 GLU 91 HB3 GLU 91 0.143 11.896 -0.471 695 HG2 GLU 91 HG2 GLU 91 -0.199 11.052 -2.792 696 HG3 GLU 91 HG3 GLU 91 -0.647 9.495 -2.092 697 H THR 92 H THR 92 3.330 12.498 -0.927 698 HA THR 92 HA THR 92 3.808 12.336 1.965 699 HB THR 92 HB THR 92 5.276 13.977 -0.121 700 HG1 THR 92 HG1 THR 92 5.849 11.830 -0.372 701 HG21 THR 92 HG21 THR 92 6.920 14.344 1.697 702 HG22 THR 92 HG22 THR 92 5.818 13.544 2.819 703 HG23 THR 92 HG23 THR 92 5.346 15.057 2.047 704 H ARG 93 H ARG 93 2.052 13.296 2.845 705 HA ARG 93 HA ARG 93 1.229 15.909 1.812 706 HB2 ARG 93 HB2 ARG 93 -0.698 15.582 3.468 707 HB3 ARG 93 HB3 ARG 93 -0.658 14.542 2.053 708 HG2 ARG 93 HG2 ARG 93 0.427 12.795 3.482 709 HG3 ARG 93 HG3 ARG 93 0.105 13.834 4.871 710 HD2 ARG 93 HD2 ARG 93 -1.638 12.171 4.656 711 HD3 ARG 93 HD3 ARG 93 -2.288 13.778 4.342 712 HE ARG 93 HE ARG 93 -1.581 12.710 1.879 713 HH11 ARG 93 HH11 ARG 93 -3.814 12.005 4.470 714 HH12 ARG 93 HH12 ARG 93 -4.975 11.223 3.448 715 HH21 ARG 93 HH21 ARG 93 -3.106 11.706 0.487 716 HH22 ARG 93 HH22 ARG 93 -4.571 11.057 1.170 717 H LYS 94 H LYS 94 0.787 17.651 3.407 718 HA LYS 94 HA LYS 94 3.091 17.664 5.239 719 HB2 LYS 94 HB2 LYS 94 3.278 20.121 4.647 720 HB3 LYS 94 HB3 LYS 94 3.753 18.986 3.400 721 HG2 LYS 94 HG2 LYS 94 0.999 20.175 3.451 722 HG3 LYS 94 HG3 LYS 94 2.363 21.039 2.739 723 HD2 LYS 94 HD2 LYS 94 2.757 19.175 1.209 724 HD3 LYS 94 HD3 LYS 94 1.423 18.281 1.939 725 HE2 LYS 94 HE2 LYS 94 1.205 20.906 0.465 726 HE3 LYS 94 HE3 LYS 94 0.752 19.326 -0.167 727 HZ1 LYS 94 HZ1 LYS 94 -0.612 20.998 1.808 728 HZ2 LYS 94 HZ2 LYS 94 -0.720 19.318 1.997 729 HZ3 LYS 94 HZ3 LYS 94 -1.261 20.046 0.564 730 H TYR 95 H TYR 95 2.652 18.073 7.266 731 HA TYR 95 HA TYR 95 0.220 19.618 7.889 732 HB2 TYR 95 HB2 TYR 95 1.372 17.270 9.408 733 HB3 TYR 95 HB3 TYR 95 0.018 18.255 9.953 734 HD1 TYR 95 HD1 TYR 95 1.065 15.532 7.824 735 HD2 TYR 95 HD2 TYR 95 -2.109 18.243 8.642 736 HE1 TYR 95 HE1 TYR 95 -0.480 14.093 6.572 737 HE2 TYR 95 HE2 TYR 95 -3.665 16.811 7.393 738 HH TYR 95 HH TYR 95 -3.551 15.118 5.601 739 H LYS 96 H LYS 96 0.370 21.209 9.369 740 HA LYS 96 HA LYS 96 3.055 21.734 10.483 741 HB2 LYS 96 HB2 LYS 96 1.806 23.342 8.806 742 HB3 LYS 96 HB3 LYS 96 0.947 23.846 10.244 743 HG2 LYS 96 HG2 LYS 96 2.705 25.349 9.949 744 HG3 LYS 96 HG3 LYS 96 3.203 24.289 11.270 745 HD2 LYS 96 HD2 LYS 96 5.124 24.279 10.022 746 HD3 LYS 96 HD3 LYS 96 4.277 22.931 9.263 747 HE2 LYS 96 HE2 LYS 96 5.140 24.311 7.528 748 HE3 LYS 96 HE3 LYS 96 3.389 24.541 7.576 749 HZ1 LYS 96 HZ1 LYS 96 3.794 26.572 8.926 750 HZ2 LYS 96 HZ2 LYS 96 4.430 26.669 7.356 751 HZ3 LYS 96 HZ3 LYS 96 5.459 26.373 8.669 752 H MET 97 H MET 97 3.248 21.935 12.688 753 HA MET 97 HA MET 97 0.914 21.164 14.224 754 HB2 MET 97 HB2 MET 97 3.811 21.568 14.957 755 HB3 MET 97 HB3 MET 97 2.577 21.281 16.176 756 HG2 MET 97 HG2 MET 97 1.995 19.171 14.999 757 HG3 MET 97 HG3 MET 97 3.362 19.453 13.922 758 HE1 MET 97 HE1 MET 97 4.491 16.480 16.284 759 HE2 MET 97 HE2 MET 97 4.130 16.956 14.625 760 HE3 MET 97 HE3 MET 97 2.823 16.807 15.802 761 H THR 98 H THR 98 -0.057 23.229 13.425 762 HA THR 98 HA THR 98 0.895 25.707 14.499 763 HB THR 98 HB THR 98 -0.208 25.693 12.342 764 HG1 THR 98 HG1 THR 98 -0.756 27.348 14.277 765 HG21 THR 98 HG21 THR 98 -2.668 24.762 13.822 766 HG22 THR 98 HG22 THR 98 -1.724 23.812 12.675 767 HG23 THR 98 HG23 THR 98 -2.610 25.233 12.123 768 H SER 99 H SER 99 -1.028 23.217 15.766 769 HA SER 99 HA SER 99 -1.820 25.001 17.952 770 HB2 SER 99 HB2 SER 99 -3.564 22.826 16.779 771 HB3 SER 99 HB3 SER 99 -3.964 23.840 18.164 772 HG SER 99 HG SER 99 -3.299 25.470 16.212 773 H ILE 100 H ILE 100 -0.303 24.364 19.348 774 HA ILE 100 HA ILE 100 -0.175 21.498 20.033 775 HB ILE 100 HB ILE 100 1.951 23.633 20.272 776 HG12 ILE 100 HG12 ILE 100 1.831 21.069 18.667 777 HG13 ILE 100 HG13 ILE 100 1.696 22.702 18.024 778 HG21 ILE 100 HG21 ILE 100 2.030 22.227 22.240 779 HG22 ILE 100 HG22 ILE 100 3.405 21.881 21.192 780 HG23 ILE 100 HG23 ILE 100 2.030 20.778 21.235 781 HD11 ILE 100 HD11 ILE 100 3.899 21.812 17.625 782 HD12 ILE 100 HD12 ILE 100 4.116 21.511 19.350 783 HD13 ILE 100 HD13 ILE 100 3.985 23.165 18.751 784 H ARG 101 H ARG 101 -0.852 20.947 22.012 785 HA ARG 101 HA ARG 101 -0.383 22.666 24.266 786 HB2 ARG 101 HB2 ARG 101 -2.769 22.786 24.972 787 HB3 ARG 101 HB3 ARG 101 -2.418 23.738 23.538 788 HG2 ARG 101 HG2 ARG 101 -3.599 22.340 22.153 789 HG3 ARG 101 HG3 ARG 101 -3.445 20.960 23.240 790 HD2 ARG 101 HD2 ARG 101 -5.726 21.935 23.140 791 HD3 ARG 101 HD3 ARG 101 -5.032 21.880 24.756 792 HE ARG 101 HE ARG 101 -4.630 24.390 23.403 793 HH11 ARG 101 HH11 ARG 101 -6.778 22.508 25.417 794 HH12 ARG 101 HH12 ARG 101 -7.596 23.890 26.081 795 HH21 ARG 101 HH21 ARG 101 -5.709 26.222 24.238 796 HH22 ARG 101 HH22 ARG 101 -7.028 26.007 25.360 797 H ASP 102 H ASP 102 -1.668 21.639 26.230 798 HA ASP 102 HA ASP 102 -1.554 18.712 25.962 799 HB2 ASP 102 HB2 ASP 102 -0.999 18.662 28.394 800 HB3 ASP 102 HB3 ASP 102 0.235 19.457 27.423 801 H VAL 103 H VAL 103 -3.248 17.540 26.836 802 HA VAL 103 HA VAL 103 -5.400 19.103 28.077 803 HB VAL 103 HB VAL 103 -7.064 17.619 26.892 804 HG11 VAL 103 HG11 VAL 103 -6.734 19.942 26.254 805 HG12 VAL 103 HG12 VAL 103 -7.046 18.946 24.832 806 HG13 VAL 103 HG13 VAL 103 -5.403 19.477 25.193 807 HG21 VAL 103 HG21 VAL 103 -5.538 15.867 26.160 808 HG22 VAL 103 HG22 VAL 103 -4.690 17.020 25.129 809 HG23 VAL 103 HG23 VAL 103 -6.367 16.593 24.783 810 H LYS 104 H LYS 104 -7.090 17.530 29.011 811 HA LYS 104 HA LYS 104 -5.577 15.633 30.648 812 HB2 LYS 104 HB2 LYS 104 -7.715 15.773 32.107 813 HB3 LYS 104 HB3 LYS 104 -6.598 17.127 32.122 814 HG2 LYS 104 HG2 LYS 104 -8.925 17.136 30.249 815 HG3 LYS 104 HG3 LYS 104 -9.148 17.550 31.950 816 HD2 LYS 104 HD2 LYS 104 -7.619 19.376 31.786 817 HD3 LYS 104 HD3 LYS 104 -7.091 18.870 30.184 818 HE2 LYS 104 HE2 LYS 104 -8.583 20.781 30.024 819 HE3 LYS 104 HE3 LYS 104 -9.328 19.357 29.301 820 HZ1 LYS 104 HZ1 LYS 104 -10.874 20.642 30.671 821 HZ2 LYS 104 HZ2 LYS 104 -9.897 20.378 32.034 822 HZ3 LYS 104 HZ3 LYS 104 -10.664 19.068 31.273 823 HA PRO 105 HA PRO 105 -7.465 12.155 28.717 824 HB2 PRO 105 HB2 PRO 105 -7.680 10.916 31.398 825 HB3 PRO 105 HB3 PRO 105 -6.821 10.352 29.962 826 HG2 PRO 105 HG2 PRO 105 -5.495 11.338 32.053 827 HG3 PRO 105 HG3 PRO 105 -4.965 11.667 30.392 828 HD2 PRO 105 HD2 PRO 105 -6.468 13.434 32.287 829 HD3 PRO 105 HD3 PRO 105 -5.147 13.845 31.174 830 H THR 106 H THR 106 -9.076 14.085 30.887 831 HA THR 106 HA THR 106 -11.619 12.716 30.356 832 HB THR 106 HB THR 106 -11.018 12.450 32.722 833 HG1 THR 106 HG1 THR 106 -13.194 14.147 32.070 834 HG21 THR 106 HG21 THR 106 -9.603 14.431 32.973 835 HG22 THR 106 HG22 THR 106 -10.860 14.385 34.210 836 HG23 THR 106 HG23 THR 106 -11.024 15.470 32.827 837 H ASP 107 H ASP 107 -10.031 15.027 29.087 838 HA ASP 107 HA ASP 107 -11.467 17.408 29.651 839 HB2 ASP 107 HB2 ASP 107 -10.315 18.417 27.842 840 HB3 ASP 107 HB3 ASP 107 -9.178 17.297 28.573 841 H VAL 108 H VAL 108 -12.646 18.605 27.931 842 HA VAL 108 HA VAL 108 -14.495 16.795 26.518 843 HB VAL 108 HB VAL 108 -16.269 18.509 26.876 844 HG11 VAL 108 HG11 VAL 108 -16.169 16.570 28.329 845 HG12 VAL 108 HG12 VAL 108 -16.668 17.989 29.251 846 HG13 VAL 108 HG13 VAL 108 -15.014 17.391 29.379 847 HG21 VAL 108 HG21 VAL 108 -14.235 19.760 28.721 848 HG22 VAL 108 HG22 VAL 108 -15.935 20.215 28.617 849 HG23 VAL 108 HG23 VAL 108 -14.869 20.465 27.234 850 H GLU 109 H GLU 109 -12.012 18.169 25.686 851 HA GLU 109 HA GLU 109 -13.034 20.186 23.818 852 HB2 GLU 109 HB2 GLU 109 -10.167 19.724 23.690 853 HB3 GLU 109 HB3 GLU 109 -11.045 21.214 23.986 854 HG2 GLU 109 HG2 GLU 109 -10.403 19.142 26.076 855 HG3 GLU 109 HG3 GLU 109 -9.483 20.615 25.790 856 H VAL 110 H VAL 110 -11.292 17.112 23.942 857 HA VAL 110 HA VAL 110 -10.983 17.078 21.047 858 HB VAL 110 HB VAL 110 -9.729 15.028 21.342 859 HG11 VAL 110 HG11 VAL 110 -7.925 15.864 22.803 860 HG12 VAL 110 HG12 VAL 110 -9.015 17.125 23.387 861 HG13 VAL 110 HG13 VAL 110 -8.530 17.094 21.690 862 HG21 VAL 110 HG21 VAL 110 -11.069 13.988 23.088 863 HG22 VAL 110 HG22 VAL 110 -10.520 15.197 24.248 864 HG23 VAL 110 HG23 VAL 110 -9.373 14.048 23.561 865 H LEU 111 H LEU 111 -13.407 16.195 23.163 866 HA LEU 111 HA LEU 111 -14.416 14.205 21.250 867 HB2 LEU 111 HB2 LEU 111 -15.729 13.277 23.203 868 HB3 LEU 111 HB3 LEU 111 -14.005 12.976 23.189 869 HG LEU 111 HG LEU 111 -13.788 14.950 24.786 870 HD11 LEU 111 HD11 LEU 111 -15.994 15.921 24.370 871 HD12 LEU 111 HD12 LEU 111 -15.754 15.540 26.076 872 HD13 LEU 111 HD13 LEU 111 -16.752 14.490 25.068 873 HD21 LEU 111 HD21 LEU 111 -15.291 12.486 25.650 874 HD22 LEU 111 HD22 LEU 111 -14.405 13.574 26.719 875 HD23 LEU 111 HD23 LEU 111 -13.542 12.647 25.493 876 H ASP 112 H ASP 112 -14.731 17.192 21.515 877 HA ASP 112 HA ASP 112 -17.618 17.253 21.192 878 HB2 ASP 112 HB2 ASP 112 -17.256 17.594 23.614 879 HB3 ASP 112 HB3 ASP 112 -16.232 18.972 23.229 880 H GLU 113 H GLU 113 -18.273 18.823 19.857 881 HA GLU 113 HA GLU 113 -18.134 20.343 18.178 882 HB2 GLU 113 HB2 GLU 113 -16.384 21.638 20.253 883 HB3 GLU 113 HB3 GLU 113 -16.778 22.416 18.730 884 HG2 GLU 113 HG2 GLU 113 -19.147 22.266 19.282 885 HG3 GLU 113 HG3 GLU 113 -18.724 21.546 20.840 886 H GLN 114 H GLN 114 -16.821 18.414 17.183 887 HA GLN 114 HA GLN 114 -14.121 19.288 16.558 888 HB2 GLN 114 HB2 GLN 114 -15.623 16.954 15.371 889 HB3 GLN 114 HB3 GLN 114 -13.889 17.234 15.344 890 HG2 GLN 114 HG2 GLN 114 -15.562 16.636 17.759 891 HG3 GLN 114 HG3 GLN 114 -14.464 15.526 16.954 892 HE21 GLN 114 HE21 GLN 114 -14.794 18.125 19.170 893 HE22 GLN 114 HE22 GLN 114 -13.155 18.180 19.709 894 H LYS 115 H LYS 115 -14.276 21.087 15.442 895 HA LYS 115 HA LYS 115 -16.356 21.664 13.615 896 HB2 LYS 115 HB2 LYS 115 -13.798 23.062 14.304 897 HB3 LYS 115 HB3 LYS 115 -14.831 23.646 13.009 898 HG2 LYS 115 HG2 LYS 115 -15.477 24.918 14.837 899 HG3 LYS 115 HG3 LYS 115 -16.701 23.652 14.771 900 HD2 LYS 115 HD2 LYS 115 -15.626 22.448 16.564 901 HD3 LYS 115 HD3 LYS 115 -14.269 23.580 16.559 902 HE2 LYS 115 HE2 LYS 115 -16.112 25.359 16.997 903 HE3 LYS 115 HE3 LYS 115 -17.078 23.972 17.497 904 HZ1 LYS 115 HZ1 LYS 115 -16.139 24.396 19.486 905 HZ2 LYS 115 HZ2 LYS 115 -14.820 25.227 18.818 906 HZ3 LYS 115 HZ3 LYS 115 -14.816 23.535 18.854 907 H GLY 116 H GLY 116 -16.012 22.426 11.396 908 HA2 GLY 116 HA2 GLY 116 -14.990 20.221 9.882 909 HA3 GLY 116 HA3 GLY 116 -15.790 21.649 9.243 910 H LYS 117 H LYS 117 -12.839 21.155 11.114 911 HA LYS 117 HA LYS 117 -11.253 22.922 9.560 912 HB2 LYS 117 HB2 LYS 117 -10.649 20.780 11.568 913 HB3 LYS 117 HB3 LYS 117 -9.339 21.490 10.640 914 HG2 LYS 117 HG2 LYS 117 -11.276 23.140 12.232 915 HG3 LYS 117 HG3 LYS 117 -9.778 22.497 12.907 916 HD2 LYS 117 HD2 LYS 117 -8.478 23.696 11.245 917 HD3 LYS 117 HD3 LYS 117 -9.960 24.273 10.475 918 HE2 LYS 117 HE2 LYS 117 -9.027 26.024 11.853 919 HE3 LYS 117 HE3 LYS 117 -10.549 25.471 12.544 920 HZ1 LYS 117 HZ1 LYS 117 -8.906 25.776 14.259 921 HZ2 LYS 117 HZ2 LYS 117 -7.825 24.725 13.480 922 HZ3 LYS 117 HZ3 LYS 117 -9.278 24.126 14.127 923 H ASP 118 H ASP 118 -9.170 22.088 8.477 924 HA ASP 118 HA ASP 118 -9.954 20.307 6.342 925 HB2 ASP 118 HB2 ASP 118 -8.410 22.472 6.310 926 HB3 ASP 118 HB3 ASP 118 -7.147 21.296 6.657 927 H LYS 119 H LYS 119 -7.435 19.048 5.828 928 HA LYS 119 HA LYS 119 -7.626 16.794 7.530 929 HB2 LYS 119 HB2 LYS 119 -5.699 17.644 5.406 930 HB3 LYS 119 HB3 LYS 119 -5.235 16.335 6.483 931 HG2 LYS 119 HG2 LYS 119 -6.188 15.385 4.518 932 HG3 LYS 119 HG3 LYS 119 -7.331 15.154 5.839 933 HD2 LYS 119 HD2 LYS 119 -8.669 15.867 4.070 934 HD3 LYS 119 HD3 LYS 119 -8.405 17.336 5.019 935 HE2 LYS 119 HE2 LYS 119 -6.468 17.833 3.465 936 HE3 LYS 119 HE3 LYS 119 -7.048 16.514 2.452 937 HZ1 LYS 119 HZ1 LYS 119 -8.455 19.035 3.119 938 HZ2 LYS 119 HZ2 LYS 119 -9.222 17.717 2.370 939 HZ3 LYS 119 HZ3 LYS 119 -7.944 18.510 1.593 940 H GLN 120 H GLN 120 -6.971 16.623 9.520 941 HA GLN 120 HA GLN 120 -4.526 18.051 10.333 942 HB2 GLN 120 HB2 GLN 120 -5.512 18.348 12.587 943 HB3 GLN 120 HB3 GLN 120 -6.390 19.218 11.337 944 HG2 GLN 120 HG2 GLN 120 -8.127 17.562 11.330 945 HG3 GLN 120 HG3 GLN 120 -7.221 16.549 12.453 946 HE21 GLN 120 HE21 GLN 120 -7.112 17.125 14.622 947 HE22 GLN 120 HE22 GLN 120 -8.173 18.302 15.310 948 H LEU 121 H LEU 121 -3.070 16.934 11.481 949 HA LEU 121 HA LEU 121 -3.677 14.111 12.022 950 HB2 LEU 121 HB2 LEU 121 -1.730 14.715 10.515 951 HB3 LEU 121 HB3 LEU 121 -0.965 15.437 11.919 952 HG LEU 121 HG LEU 121 -0.959 13.247 13.039 953 HD11 LEU 121 HD11 LEU 121 -1.463 11.229 11.723 954 HD12 LEU 121 HD12 LEU 121 -2.080 12.253 10.426 955 HD13 LEU 121 HD13 LEU 121 -2.887 12.235 11.994 956 HD21 LEU 121 HD21 LEU 121 0.304 13.237 10.301 957 HD22 LEU 121 HD22 LEU 121 0.777 12.221 11.664 958 HD23 LEU 121 HD23 LEU 121 0.985 13.970 11.754 959 H THR 122 H THR 122 -4.333 13.835 14.026 960 HA THR 122 HA THR 122 -3.471 15.687 16.105 961 HB THR 122 HB THR 122 -5.487 13.447 16.337 962 HG1 THR 122 HG1 THR 122 -6.759 14.641 15.162 963 HG21 THR 122 HG21 THR 122 -5.090 15.987 17.920 964 HG22 THR 122 HG22 THR 122 -4.676 14.360 18.456 965 HG23 THR 122 HG23 THR 122 -6.363 14.794 18.185 966 H LEU 123 H LEU 123 -1.533 15.146 16.954 967 HA LEU 123 HA LEU 123 -0.948 12.335 17.504 968 HB2 LEU 123 HB2 LEU 123 0.809 14.718 18.086 969 HB3 LEU 123 HB3 LEU 123 1.287 13.034 18.056 970 HG LEU 123 HG LEU 123 0.759 14.888 15.759 971 HD11 LEU 123 HD11 LEU 123 3.018 14.703 16.606 972 HD12 LEU 123 HD12 LEU 123 2.896 13.994 14.995 973 HD13 LEU 123 HD13 LEU 123 2.967 12.949 16.415 974 HD21 LEU 123 HD21 LEU 123 0.785 11.869 15.599 975 HD22 LEU 123 HD22 LEU 123 0.800 12.978 14.227 976 HD23 LEU 123 HD23 LEU 123 -0.605 12.911 15.291 977 H ILE 124 H ILE 124 -2.012 11.646 19.277 978 HA ILE 124 HA ILE 124 -2.129 13.407 21.623 979 HB ILE 124 HB ILE 124 -3.465 10.721 21.265 980 HG12 ILE 124 HG12 ILE 124 -4.724 13.448 20.930 981 HG13 ILE 124 HG13 ILE 124 -4.195 12.443 19.582 982 HG21 ILE 124 HG21 ILE 124 -3.172 11.433 23.583 983 HG22 ILE 124 HG22 ILE 124 -4.874 11.455 23.123 984 HG23 ILE 124 HG23 ILE 124 -3.968 12.965 23.220 985 HD11 ILE 124 HD11 ILE 124 -5.746 10.702 20.267 986 HD12 ILE 124 HD12 ILE 124 -6.579 12.226 19.958 987 HD13 ILE 124 HD13 ILE 124 -6.281 11.704 21.616 988 H THR 125 H THR 125 -0.113 13.248 22.515 989 HA THR 125 HA THR 125 0.891 10.540 23.079 990 HB THR 125 HB THR 125 2.452 13.120 23.243 991 HG1 THR 125 HG1 THR 125 1.483 12.059 21.075 992 HG21 THR 125 HG21 THR 125 3.319 10.231 23.004 993 HG22 THR 125 HG22 THR 125 3.387 11.206 24.474 994 HG23 THR 125 HG23 THR 125 4.391 11.632 23.088 995 H CYS 126 H CYS 126 -0.068 9.985 24.992 996 HA CYS 126 HA CYS 126 -0.318 11.893 27.128 997 HB2 CYS 126 HB2 CYS 126 -1.056 9.848 28.450 998 HB3 CYS 126 HB3 CYS 126 -2.038 10.274 27.055 999 H ASP 127 H ASP 127 1.569 12.624 27.834 1000 HA ASP 127 HA ASP 127 3.555 10.669 28.769 1001 HB2 ASP 127 HB2 ASP 127 4.333 11.727 26.697 1002 HB3 ASP 127 HB3 ASP 127 4.093 13.318 27.410 1003 H ASP 128 H ASP 128 2.470 10.894 30.782 1004 HA ASP 128 HA ASP 128 3.740 12.726 32.529 1005 HB2 ASP 128 HB2 ASP 128 1.922 14.176 31.520 1006 HB3 ASP 128 HB3 ASP 128 0.749 13.092 32.260 1007 H TYR 129 H TYR 129 4.306 10.839 33.542 1008 HA TYR 129 HA TYR 129 2.270 8.830 34.061 1009 HB2 TYR 129 HB2 TYR 129 4.297 8.086 32.987 1010 HB3 TYR 129 HB3 TYR 129 5.281 8.792 34.260 1011 HD1 TYR 129 HD1 TYR 129 6.063 7.416 35.933 1012 HD2 TYR 129 HD2 TYR 129 2.568 6.255 33.803 1013 HE1 TYR 129 HE1 TYR 129 6.070 5.264 37.112 1014 HE2 TYR 129 HE2 TYR 129 2.560 4.097 34.985 1015 HH TYR 129 HH TYR 129 4.768 3.454 37.634 1016 H ASN 130 H ASN 130 1.315 8.626 35.950 1017 HA ASN 130 HA ASN 130 2.619 9.627 38.375 1018 HB2 ASN 130 HB2 ASN 130 0.234 10.210 38.008 1019 HB3 ASN 130 HB3 ASN 130 -0.171 8.500 37.982 1020 HD21 ASN 130 HD21 ASN 130 -1.003 10.734 39.739 1021 HD22 ASN 130 HD22 ASN 130 -0.681 10.187 41.347 1022 H GLU 131 H GLU 131 3.984 8.247 39.269 1023 HA GLU 131 HA GLU 131 4.262 5.567 38.572 1024 HB2 GLU 131 HB2 GLU 131 5.221 6.963 41.066 1025 HB3 GLU 131 HB3 GLU 131 5.820 5.422 40.466 1026 HG2 GLU 131 HG2 GLU 131 6.744 6.449 38.532 1027 HG3 GLU 131 HG3 GLU 131 5.959 7.985 38.905 1028 H LYS 132 H LYS 132 2.336 6.976 41.146 1029 HA LYS 132 HA LYS 132 2.302 4.663 42.780 1030 HB2 LYS 132 HB2 LYS 132 0.733 7.222 42.737 1031 HB3 LYS 132 HB3 LYS 132 0.403 5.950 43.892 1032 HG2 LYS 132 HG2 LYS 132 3.031 7.373 43.561 1033 HG3 LYS 132 HG3 LYS 132 1.850 7.665 44.839 1034 HD2 LYS 132 HD2 LYS 132 2.119 5.310 45.564 1035 HD3 LYS 132 HD3 LYS 132 3.377 5.109 44.343 1036 HE2 LYS 132 HE2 LYS 132 3.452 7.099 46.609 1037 HE3 LYS 132 HE3 LYS 132 4.287 5.547 46.597 1038 HZ1 LYS 132 HZ1 LYS 132 4.753 7.665 44.564 1039 HZ2 LYS 132 HZ2 LYS 132 5.666 6.258 44.818 1040 HZ3 LYS 132 HZ3 LYS 132 5.678 7.498 45.975 1041 H THR 133 H THR 133 0.361 5.676 40.078 1042 HA THR 133 HA THR 133 -1.435 3.415 40.631 1043 HB THR 133 HB THR 133 -2.775 5.319 41.038 1044 HG1 THR 133 HG1 THR 133 -4.132 4.119 39.887 1045 HG21 THR 133 HG21 THR 133 -1.828 6.435 38.402 1046 HG22 THR 133 HG22 THR 133 -1.335 6.997 39.998 1047 HG23 THR 133 HG23 THR 133 -3.010 7.180 39.477 1048 H GLY 134 H GLY 134 0.348 5.240 38.235 1049 HA2 GLY 134 HA2 GLY 134 1.235 4.235 36.284 1050 HA3 GLY 134 HA3 GLY 134 -0.017 3.008 36.384 1051 H VAL 135 H VAL 135 -1.421 5.931 36.954 1052 HA VAL 135 HA VAL 135 -2.611 6.003 34.317 1053 HB VAL 135 HB VAL 135 -3.146 7.693 36.773 1054 HG11 VAL 135 HG11 VAL 135 -5.190 8.408 35.613 1055 HG12 VAL 135 HG12 VAL 135 -4.659 7.550 34.167 1056 HG13 VAL 135 HG13 VAL 135 -3.733 8.928 34.765 1057 HG21 VAL 135 HG21 VAL 135 -3.758 5.347 37.051 1058 HG22 VAL 135 HG22 VAL 135 -4.719 5.420 35.572 1059 HG23 VAL 135 HG23 VAL 135 -5.188 6.379 36.978 1060 H TRP 136 H TRP 136 -2.286 7.528 32.802 1061 HA TRP 136 HA TRP 136 -0.155 9.465 33.264 1062 HB2 TRP 136 HB2 TRP 136 -1.514 8.605 30.693 1063 HB3 TRP 136 HB3 TRP 136 -0.137 9.705 30.807 1064 HD1 TRP 136 HD1 TRP 136 -0.997 6.035 31.729 1065 HE1 TRP 136 HE1 TRP 136 1.146 4.625 31.535 1066 HE3 TRP 136 HE3 TRP 136 2.301 9.749 30.522 1067 HZ2 TRP 136 HZ2 TRP 136 3.870 5.036 30.923 1068 HZ3 TRP 136 HZ3 TRP 136 4.657 9.153 30.143 1069 HH2 TRP 136 HH2 TRP 136 5.424 6.844 30.341 1070 H GLU 137 H GLU 137 -0.798 11.334 34.034 1071 HA GLU 137 HA GLU 137 -3.615 11.885 34.128 1072 HB2 GLU 137 HB2 GLU 137 -1.304 13.415 35.322 1073 HB3 GLU 137 HB3 GLU 137 -3.003 13.616 35.733 1074 HG2 GLU 137 HG2 GLU 137 -3.051 11.272 36.520 1075 HG3 GLU 137 HG3 GLU 137 -1.320 11.162 36.201 1076 H LYS 138 H LYS 138 -1.038 12.974 32.166 1077 HA LYS 138 HA LYS 138 -2.812 15.039 31.089 1078 HB2 LYS 138 HB2 LYS 138 -0.986 16.045 32.466 1079 HB3 LYS 138 HB3 LYS 138 0.183 15.314 31.374 1080 HG2 LYS 138 HG2 LYS 138 -0.057 17.554 30.716 1081 HG3 LYS 138 HG3 LYS 138 -0.910 16.588 29.515 1082 HD2 LYS 138 HD2 LYS 138 -2.351 18.391 29.967 1083 HD3 LYS 138 HD3 LYS 138 -3.013 17.040 30.888 1084 HE2 LYS 138 HE2 LYS 138 -3.052 18.971 32.296 1085 HE3 LYS 138 HE3 LYS 138 -1.782 17.899 32.887 1086 HZ1 LYS 138 HZ1 LYS 138 -1.330 20.247 31.118 1087 HZ2 LYS 138 HZ2 LYS 138 -0.133 19.264 31.806 1088 HZ3 LYS 138 HZ3 LYS 138 -1.094 20.248 32.797 1089 H ARG 139 H ARG 139 -3.115 14.882 28.946 1090 HA ARG 139 HA ARG 139 -1.224 13.197 27.461 1091 HB2 ARG 139 HB2 ARG 139 -3.075 12.821 25.828 1092 HB3 ARG 139 HB3 ARG 139 -3.350 12.133 27.417 1093 HG2 ARG 139 HG2 ARG 139 -4.821 14.038 27.956 1094 HG3 ARG 139 HG3 ARG 139 -4.586 14.648 26.315 1095 HD2 ARG 139 HD2 ARG 139 -5.496 12.540 25.427 1096 HD3 ARG 139 HD3 ARG 139 -5.776 11.984 27.074 1097 HE ARG 139 HE ARG 139 -7.062 14.489 26.395 1098 HH11 ARG 139 HH11 ARG 139 -7.370 10.997 26.674 1099 HH12 ARG 139 HH12 ARG 139 -9.109 11.036 26.564 1100 HH21 ARG 139 HH21 ARG 139 -9.323 14.531 26.279 1101 HH22 ARG 139 HH22 ARG 139 -10.219 13.037 26.353 1102 H LYS 140 H LYS 140 0.111 14.270 26.274 1103 HA LYS 140 HA LYS 140 -0.287 17.030 25.595 1104 HB2 LYS 140 HB2 LYS 140 1.915 16.186 26.228 1105 HB3 LYS 140 HB3 LYS 140 1.892 15.049 24.891 1106 HG2 LYS 140 HG2 LYS 140 3.334 16.951 24.436 1107 HG3 LYS 140 HG3 LYS 140 1.983 16.888 23.304 1108 HD2 LYS 140 HD2 LYS 140 1.014 18.765 24.143 1109 HD3 LYS 140 HD3 LYS 140 1.653 18.508 25.770 1110 HE2 LYS 140 HE2 LYS 140 3.277 19.371 23.378 1111 HE3 LYS 140 HE3 LYS 140 2.657 20.457 24.622 1112 HZ1 LYS 140 HZ1 LYS 140 4.640 18.267 24.991 1113 HZ2 LYS 140 HZ2 LYS 140 3.952 19.148 26.266 1114 HZ3 LYS 140 HZ3 LYS 140 4.916 19.937 25.122 1115 H ILE 141 H ILE 141 -1.042 17.840 23.703 1116 HA ILE 141 HA ILE 141 -1.581 15.870 21.586 1117 HB ILE 141 HB ILE 141 -3.644 16.404 22.760 1118 HG12 ILE 141 HG12 ILE 141 -3.548 17.671 20.017 1119 HG13 ILE 141 HG13 ILE 141 -3.719 15.948 20.339 1120 HG21 ILE 141 HG21 ILE 141 -3.119 18.590 23.617 1121 HG22 ILE 141 HG22 ILE 141 -4.600 18.669 22.660 1122 HG23 ILE 141 HG23 ILE 141 -3.078 19.251 21.982 1123 HD11 ILE 141 HD11 ILE 141 -5.852 16.945 19.781 1124 HD12 ILE 141 HD12 ILE 141 -5.680 18.097 21.103 1125 HD13 ILE 141 HD13 ILE 141 -5.853 16.378 21.450 1126 H PHE 142 H PHE 142 -0.825 16.321 19.699 1127 HA PHE 142 HA PHE 142 -0.086 19.100 19.061 1128 HB2 PHE 142 HB2 PHE 142 1.087 16.535 17.953 1129 HB3 PHE 142 HB3 PHE 142 1.574 18.163 17.502 1130 HD1 PHE 142 HD1 PHE 142 1.931 15.486 19.895 1131 HD2 PHE 142 HD2 PHE 142 2.741 19.593 19.162 1132 HE1 PHE 142 HE1 PHE 142 3.632 15.463 21.670 1133 HE2 PHE 142 HE2 PHE 142 4.441 19.583 20.932 1134 HZ PHE 142 HZ PHE 142 4.891 17.514 22.192 1135 H VAL 143 H VAL 143 -1.660 19.929 17.820 1136 HA VAL 143 HA VAL 143 -3.004 18.197 15.869 1137 HB VAL 143 HB VAL 143 -3.662 21.048 16.612 1138 HG11 VAL 143 HG11 VAL 143 -4.472 20.415 14.407 1139 HG12 VAL 143 HG12 VAL 143 -5.814 20.597 15.536 1140 HG13 VAL 143 HG13 VAL 143 -5.250 18.986 15.089 1141 HG21 VAL 143 HG21 VAL 143 -3.925 19.602 18.546 1142 HG22 VAL 143 HG22 VAL 143 -4.902 18.483 17.595 1143 HG23 VAL 143 HG23 VAL 143 -5.501 20.106 17.933 1144 H ALA 144 H ALA 144 -1.782 18.012 14.124 1145 HA ALA 144 HA ALA 144 -0.549 20.414 12.985 1146 HB1 ALA 144 HB1 ALA 144 0.904 18.466 13.343 1147 HB2 ALA 144 HB2 ALA 144 0.783 18.897 11.638 1148 HB3 ALA 144 HB3 ALA 144 -0.120 17.517 12.264 1149 H THR 145 H THR 145 -1.873 21.464 11.653 1150 HA THR 145 HA THR 145 -3.873 20.009 10.110 1151 HB THR 145 HB THR 145 -3.465 22.994 10.038 1152 HG1 THR 145 HG1 THR 145 -4.238 21.417 12.181 1153 HG21 THR 145 HG21 THR 145 -5.114 22.151 8.491 1154 HG22 THR 145 HG22 THR 145 -5.961 22.947 9.823 1155 HG23 THR 145 HG23 THR 145 -5.873 21.187 9.758 1156 H GLU 146 H GLU 146 -3.939 19.961 7.879 1157 HA GLU 146 HA GLU 146 -1.621 19.730 6.421 1158 HB2 GLU 146 HB2 GLU 146 -3.844 18.881 5.726 1159 HB3 GLU 146 HB3 GLU 146 -4.337 20.525 5.352 1160 HG2 GLU 146 HG2 GLU 146 -3.770 19.716 3.281 1161 HG3 GLU 146 HG3 GLU 146 -2.286 20.521 3.768 1162 H VAL 147 H VAL 147 -0.386 21.002 5.177 1163 HA VAL 147 HA VAL 147 -0.734 23.899 5.508 1164 HB VAL 147 HB VAL 147 1.690 22.426 4.439 1165 HG11 VAL 147 HG11 VAL 147 1.407 25.212 5.563 1166 HG12 VAL 147 HG12 VAL 147 1.575 24.804 3.853 1167 HG13 VAL 147 HG13 VAL 147 2.896 24.469 4.973 1168 HG21 VAL 147 HG21 VAL 147 0.993 23.243 7.241 1169 HG22 VAL 147 HG22 VAL 147 2.637 22.856 6.731 1170 HG23 VAL 147 HG23 VAL 147 1.372 21.625 6.649 1171 H LYS 148 H LYS 148 -0.484 25.303 3.684 1172 HA LYS 148 HA LYS 148 -1.951 24.616 1.439 1173 HB2 LYS 148 HB2 LYS 148 -1.004 26.683 0.421 1174 HB3 LYS 148 HB3 LYS 148 -1.673 26.914 2.030 1175 HG2 LYS 148 HG2 LYS 148 0.600 26.837 2.964 1176 HG3 LYS 148 HG3 LYS 148 1.247 26.668 1.331 1177 HD2 LYS 148 HD2 LYS 148 -0.339 28.999 2.402 1178 HD3 LYS 148 HD3 LYS 148 1.390 28.977 2.052 1179 HE2 LYS 148 HE2 LYS 148 0.950 28.642 -0.297 1180 HE3 LYS 148 HE3 LYS 148 -0.781 28.516 0.015 1181 HZ1 LYS 148 HZ1 LYS 148 -0.698 30.822 0.851 1182 HZ2 LYS 148 HZ2 LYS 148 -0.293 30.689 -0.790 1183 HZ3 LYS 148 HZ3 LYS 148 0.925 30.922 0.364 1184 H1 JPT 201 H7 UNK 201 -2.638 7.652 28.244 1185 H11 JPT 201 H11 UNK 201 -3.622 5.353 28.553 1186 H12 JPT 201 H12 UNK 201 -2.233 3.750 24.427 1187 H13 JPT 201 H13 UNK 201 -1.729 6.290 24.765 1188 H62 JPT 201 H62 UNK 201 -4.274 7.117 23.200 1189 H61 JPT 201 H61 UNK 201 -5.918 7.785 23.151 1190 H3 JPT 201 H3 UNK 201 -4.594 8.585 21.392 1191 H4 JPT 201 H4 UNK 201 -5.175 9.652 28.883 1192 H2 JPT 201 H2 UNK 201 -6.573 9.598 24.659 Start of MODEL 18 1 HA MET 1 HA MET 1 -9.634 0.744 -9.345 2 HB2 MET 1 HB2 MET 1 -9.858 0.232 -6.988 3 HB3 MET 1 HB3 MET 1 -10.016 -1.253 -7.913 4 HG2 MET 1 HG2 MET 1 -7.516 -0.372 -6.479 5 HG3 MET 1 HG3 MET 1 -8.698 -1.509 -5.842 6 HE1 MET 1 HE1 MET 1 -6.873 -3.367 -5.411 7 HE2 MET 1 HE2 MET 1 -5.631 -2.239 -5.958 8 HE3 MET 1 HE3 MET 1 -5.691 -3.874 -6.618 9 H GLN 2 H GLN 2 -9.201 2.618 -8.023 10 HA GLN 2 HA GLN 2 -6.532 3.554 -8.514 11 HB2 GLN 2 HB2 GLN 2 -8.781 4.945 -7.061 12 HB3 GLN 2 HB3 GLN 2 -7.303 5.692 -7.659 13 HG2 GLN 2 HG2 GLN 2 -9.524 4.483 -9.295 14 HG3 GLN 2 HG3 GLN 2 -9.107 6.191 -9.160 15 HE21 GLN 2 HE21 GLN 2 -9.285 4.461 -11.494 16 HE22 GLN 2 HE22 GLN 2 -7.736 4.521 -12.263 17 H ALA 3 H ALA 3 -5.981 5.242 -6.473 18 HA ALA 3 HA ALA 3 -5.477 3.399 -4.240 19 HB1 ALA 3 HB1 ALA 3 -3.524 3.569 -5.667 20 HB2 ALA 3 HB2 ALA 3 -3.223 4.300 -4.090 21 HB3 ALA 3 HB3 ALA 3 -3.538 5.322 -5.495 22 H LYS 4 H LYS 4 -6.761 4.228 -2.695 23 HA LYS 4 HA LYS 4 -6.083 6.932 -1.798 24 HB2 LYS 4 HB2 LYS 4 -8.794 5.633 -1.787 25 HB3 LYS 4 HB3 LYS 4 -8.411 7.048 -0.822 26 HG2 LYS 4 HG2 LYS 4 -7.771 8.208 -2.953 27 HG3 LYS 4 HG3 LYS 4 -8.432 6.823 -3.821 28 HD2 LYS 4 HD2 LYS 4 -9.975 8.541 -1.879 29 HD3 LYS 4 HD3 LYS 4 -10.022 8.708 -3.634 30 HE2 LYS 4 HE2 LYS 4 -10.856 6.392 -3.800 31 HE3 LYS 4 HE3 LYS 4 -10.876 6.293 -2.040 32 HZ1 LYS 4 HZ1 LYS 4 -12.432 8.254 -3.641 33 HZ2 LYS 4 HZ2 LYS 4 -12.513 8.036 -1.960 34 HZ3 LYS 4 HZ3 LYS 4 -13.062 6.816 -3.003 35 HA PRO 5 HA PRO 5 -4.359 4.129 1.260 36 HB2 PRO 5 HB2 PRO 5 -3.893 6.781 2.538 37 HB3 PRO 5 HB3 PRO 5 -2.775 5.431 2.305 38 HG2 PRO 5 HG2 PRO 5 -2.655 7.597 0.761 39 HG3 PRO 5 HG3 PRO 5 -2.362 5.979 0.104 40 HD2 PRO 5 HD2 PRO 5 -4.729 7.751 -0.211 41 HD3 PRO 5 HD3 PRO 5 -4.056 6.554 -1.333 42 H GLN 6 H GLN 6 -5.347 3.146 2.854 43 HA GLN 6 HA GLN 6 -6.962 4.628 4.772 44 HB2 GLN 6 HB2 GLN 6 -8.924 3.385 4.493 45 HB3 GLN 6 HB3 GLN 6 -8.411 3.675 2.840 46 HG2 GLN 6 HG2 GLN 6 -7.878 1.130 4.359 47 HG3 GLN 6 HG3 GLN 6 -9.245 1.379 3.283 48 HE21 GLN 6 HE21 GLN 6 -7.691 2.918 1.351 49 HE22 GLN 6 HE22 GLN 6 -6.700 1.769 0.525 50 H ILE 7 H ILE 7 -7.569 3.088 6.630 51 HA ILE 7 HA ILE 7 -5.234 1.682 7.462 52 HB ILE 7 HB ILE 7 -7.989 1.929 8.671 53 HG12 ILE 7 HG12 ILE 7 -6.627 3.040 10.506 54 HG13 ILE 7 HG13 ILE 7 -5.264 2.996 9.397 55 HG21 ILE 7 HG21 ILE 7 -7.127 0.768 10.657 56 HG22 ILE 7 HG22 ILE 7 -5.649 0.385 9.771 57 HG23 ILE 7 HG23 ILE 7 -7.194 -0.282 9.242 58 HD11 ILE 7 HD11 ILE 7 -6.480 4.396 7.829 59 HD12 ILE 7 HD12 ILE 7 -6.350 5.168 9.410 60 HD13 ILE 7 HD13 ILE 7 -7.868 4.418 8.916 61 HA PRO 8 HA PRO 8 -6.238 -2.045 5.264 62 HB2 PRO 8 HB2 PRO 8 -4.113 -3.270 6.880 63 HB3 PRO 8 HB3 PRO 8 -4.210 -3.055 5.131 64 HG2 PRO 8 HG2 PRO 8 -2.509 -1.628 6.639 65 HG3 PRO 8 HG3 PRO 8 -3.296 -0.947 5.203 66 HD2 PRO 8 HD2 PRO 8 -3.980 -0.571 8.096 67 HD3 PRO 8 HD3 PRO 8 -3.942 0.624 6.782 68 H LYS 9 H LYS 9 -6.639 -4.318 5.742 69 HA LYS 9 HA LYS 9 -8.348 -4.622 8.039 70 HB2 LYS 9 HB2 LYS 9 -7.507 -6.637 5.964 71 HB3 LYS 9 HB3 LYS 9 -8.858 -6.799 7.076 72 HG2 LYS 9 HG2 LYS 9 -10.151 -5.277 5.945 73 HG3 LYS 9 HG3 LYS 9 -8.757 -4.467 5.227 74 HD2 LYS 9 HD2 LYS 9 -9.982 -5.737 3.548 75 HD3 LYS 9 HD3 LYS 9 -8.368 -6.407 3.794 76 HE2 LYS 9 HE2 LYS 9 -9.319 -8.147 5.235 77 HE3 LYS 9 HE3 LYS 9 -10.931 -7.481 4.969 78 HZ1 LYS 9 HZ1 LYS 9 -9.141 -8.623 2.889 79 HZ2 LYS 9 HZ2 LYS 9 -10.662 -7.935 2.594 80 HZ3 LYS 9 HZ3 LYS 9 -10.541 -9.352 3.518 81 H ASP 10 H ASP 10 -5.132 -5.328 7.178 82 HA ASP 10 HA ASP 10 -4.750 -7.174 9.410 83 HB2 ASP 10 HB2 ASP 10 -3.772 -7.758 7.212 84 HB3 ASP 10 HB3 ASP 10 -2.810 -6.285 7.267 85 H LYS 11 H LYS 11 -4.488 -6.164 11.283 86 HA LYS 11 HA LYS 11 -3.191 -3.575 11.408 87 HB2 LYS 11 HB2 LYS 11 -4.661 -5.246 13.449 88 HB3 LYS 11 HB3 LYS 11 -3.890 -3.712 13.837 89 HG2 LYS 11 HG2 LYS 11 -5.304 -2.571 12.233 90 HG3 LYS 11 HG3 LYS 11 -6.042 -4.097 11.767 91 HD2 LYS 11 HD2 LYS 11 -6.150 -3.071 14.596 92 HD3 LYS 11 HD3 LYS 11 -7.357 -2.625 13.388 93 HE2 LYS 11 HE2 LYS 11 -7.712 -5.084 12.996 94 HE3 LYS 11 HE3 LYS 11 -6.698 -5.381 14.407 95 HZ1 LYS 11 HZ1 LYS 11 -9.083 -5.387 14.915 96 HZ2 LYS 11 HZ2 LYS 11 -9.191 -3.763 14.427 97 HZ3 LYS 11 HZ3 LYS 11 -8.250 -4.188 15.773 98 H SER 12 H SER 12 -1.612 -5.988 10.783 99 HA SER 12 HA SER 12 0.312 -5.738 13.001 100 HB2 SER 12 HB2 SER 12 -0.493 -8.059 12.687 101 HB3 SER 12 HB3 SER 12 0.069 -8.016 11.016 102 HG SER 12 HG SER 12 2.184 -7.391 12.143 103 H LYS 13 H LYS 13 -0.310 -5.251 9.661 104 HA LYS 13 HA LYS 13 2.496 -4.858 8.995 105 HB2 LYS 13 HB2 LYS 13 1.680 -4.402 6.724 106 HB3 LYS 13 HB3 LYS 13 1.056 -5.928 7.335 107 HG2 LYS 13 HG2 LYS 13 -1.091 -4.965 7.746 108 HG3 LYS 13 HG3 LYS 13 -0.493 -3.349 7.372 109 HD2 LYS 13 HD2 LYS 13 -1.759 -4.237 5.502 110 HD3 LYS 13 HD3 LYS 13 -0.060 -4.061 5.061 111 HE2 LYS 13 HE2 LYS 13 0.280 -6.457 5.479 112 HE3 LYS 13 HE3 LYS 13 -1.429 -6.619 5.885 113 HZ1 LYS 13 HZ1 LYS 13 -0.336 -5.777 3.251 114 HZ2 LYS 13 HZ2 LYS 13 -1.988 -5.897 3.640 115 HZ3 LYS 13 HZ3 LYS 13 -1.020 -7.289 3.611 116 H VAL 14 H VAL 14 2.603 -2.748 7.378 117 HA VAL 14 HA VAL 14 1.969 -0.518 9.170 118 HB VAL 14 HB VAL 14 4.336 -0.763 8.618 119 HG11 VAL 14 HG11 VAL 14 5.158 -0.415 6.343 120 HG12 VAL 14 HG12 VAL 14 3.497 -0.378 5.753 121 HG13 VAL 14 HG13 VAL 14 4.147 -1.856 6.462 122 HG21 VAL 14 HG21 VAL 14 3.505 1.477 9.009 123 HG22 VAL 14 HG22 VAL 14 3.082 1.639 7.303 124 HG23 VAL 14 HG23 VAL 14 4.773 1.501 7.784 125 H ALA 15 H ALA 15 0.706 1.144 8.555 126 HA ALA 15 HA ALA 15 -0.625 0.944 5.943 127 HB1 ALA 15 HB1 ALA 15 -2.320 2.438 6.901 128 HB2 ALA 15 HB2 ALA 15 -1.391 2.528 8.399 129 HB3 ALA 15 HB3 ALA 15 -2.095 0.994 7.889 130 H GLY 16 H GLY 16 1.135 3.146 8.037 131 HA2 GLY 16 HA2 GLY 16 1.950 4.728 5.728 132 HA3 GLY 16 HA3 GLY 16 1.040 5.578 6.973 133 H TYR 17 H TYR 17 3.637 6.326 6.376 134 HA TYR 17 HA TYR 17 5.087 5.393 8.772 135 HB2 TYR 17 HB2 TYR 17 6.278 6.643 6.284 136 HB3 TYR 17 HB3 TYR 17 7.165 6.010 7.662 137 HD1 TYR 17 HD1 TYR 17 5.024 5.050 4.791 138 HD2 TYR 17 HD2 TYR 17 7.703 3.715 7.817 139 HE1 TYR 17 HE1 TYR 17 5.152 2.851 3.697 140 HE2 TYR 17 HE2 TYR 17 7.838 1.516 6.735 141 HH TYR 17 HH TYR 17 6.563 0.914 3.582 142 H ILE 18 H ILE 18 5.803 6.929 10.211 143 HA ILE 18 HA ILE 18 4.842 9.649 9.672 144 HB ILE 18 HB ILE 18 3.852 8.647 11.665 145 HG12 ILE 18 HG12 ILE 18 4.490 10.408 13.313 146 HG13 ILE 18 HG13 ILE 18 5.818 10.865 12.250 147 HG21 ILE 18 HG21 ILE 18 5.184 8.126 13.642 148 HG22 ILE 18 HG22 ILE 18 6.660 8.442 12.725 149 HG23 ILE 18 HG23 ILE 18 5.614 7.094 12.275 150 HD11 ILE 18 HD11 ILE 18 2.893 10.959 11.549 151 HD12 ILE 18 HD12 ILE 18 4.228 11.441 10.502 152 HD13 ILE 18 HD13 ILE 18 3.901 12.338 11.984 153 H GLU 19 H GLU 19 6.301 11.037 9.070 154 HA GLU 19 HA GLU 19 9.033 10.763 10.098 155 HB2 GLU 19 HB2 GLU 19 8.228 11.501 7.275 156 HB3 GLU 19 HB3 GLU 19 9.876 11.508 7.895 157 HG2 GLU 19 HG2 GLU 19 9.742 9.108 8.303 158 HG3 GLU 19 HG3 GLU 19 8.084 9.094 7.706 159 H ILE 20 H ILE 20 9.441 12.382 11.352 160 HA ILE 20 HA ILE 20 8.618 15.096 10.555 161 HB ILE 20 HB ILE 20 8.756 14.112 13.416 162 HG12 ILE 20 HG12 ILE 20 6.278 14.688 11.776 163 HG13 ILE 20 HG13 ILE 20 6.887 13.070 12.112 164 HG21 ILE 20 HG21 ILE 20 7.712 16.680 12.219 165 HG22 ILE 20 HG22 ILE 20 9.194 16.492 13.158 166 HG23 ILE 20 HG23 ILE 20 7.625 16.238 13.925 167 HD11 ILE 20 HD11 ILE 20 5.937 15.072 14.145 168 HD12 ILE 20 HD12 ILE 20 6.575 13.467 14.504 169 HD13 ILE 20 HD13 ILE 20 5.070 13.636 13.600 170 HA PRO 21 HA PRO 21 13.182 14.926 10.677 171 HB2 PRO 21 HB2 PRO 21 12.824 17.595 9.442 172 HB3 PRO 21 HB3 PRO 21 13.772 16.214 8.882 173 HG2 PRO 21 HG2 PRO 21 11.489 16.895 7.678 174 HG3 PRO 21 HG3 PRO 21 11.948 15.198 7.892 175 HD2 PRO 21 HD2 PRO 21 9.978 16.832 9.434 176 HD3 PRO 21 HD3 PRO 21 9.865 15.142 8.898 177 H ASP 22 H ASP 22 11.044 17.490 11.652 178 HA ASP 22 HA ASP 22 12.872 19.149 13.002 179 HB2 ASP 22 HB2 ASP 22 10.350 19.497 12.362 180 HB3 ASP 22 HB3 ASP 22 10.050 18.816 13.952 181 H ALA 23 H ALA 23 11.193 16.225 13.963 182 HA ALA 23 HA ALA 23 12.305 16.477 16.678 183 HB1 ALA 23 HB1 ALA 23 9.943 14.845 15.757 184 HB2 ALA 23 HB2 ALA 23 9.859 16.391 16.601 185 HB3 ALA 23 HB3 ALA 23 10.533 14.979 17.413 186 H ASP 24 H ASP 24 13.154 15.224 13.911 187 HA ASP 24 HA ASP 24 14.565 13.599 13.220 188 HB2 ASP 24 HB2 ASP 24 15.722 14.183 15.375 189 HB3 ASP 24 HB3 ASP 24 14.860 12.854 16.130 190 H ILE 25 H ILE 25 11.640 13.114 14.035 191 HA ILE 25 HA ILE 25 11.493 10.310 14.651 192 HB ILE 25 HB ILE 25 9.423 12.369 13.922 193 HG12 ILE 25 HG12 ILE 25 9.930 10.807 16.467 194 HG13 ILE 25 HG13 ILE 25 10.423 12.473 16.186 195 HG21 ILE 25 HG21 ILE 25 8.941 9.474 14.604 196 HG22 ILE 25 HG22 ILE 25 8.818 10.174 12.991 197 HG23 ILE 25 HG23 ILE 25 7.713 10.697 14.268 198 HD11 ILE 25 HD11 ILE 25 8.405 12.345 17.537 199 HD12 ILE 25 HD12 ILE 25 7.587 11.467 16.245 200 HD13 ILE 25 HD13 ILE 25 8.090 13.139 15.994 201 H LYS 26 H LYS 26 11.575 8.683 13.217 202 HA LYS 26 HA LYS 26 10.527 9.005 10.526 203 HB2 LYS 26 HB2 LYS 26 13.310 7.936 10.758 204 HB3 LYS 26 HB3 LYS 26 12.506 8.627 9.364 205 HG2 LYS 26 HG2 LYS 26 12.847 10.820 10.102 206 HG3 LYS 26 HG3 LYS 26 13.234 10.295 11.742 207 HD2 LYS 26 HD2 LYS 26 14.891 9.818 9.280 208 HD3 LYS 26 HD3 LYS 26 15.220 10.993 10.551 209 HE2 LYS 26 HE2 LYS 26 15.059 8.018 11.015 210 HE3 LYS 26 HE3 LYS 26 16.560 8.881 10.700 211 HZ1 LYS 26 HZ1 LYS 26 16.353 10.083 12.693 212 HZ2 LYS 26 HZ2 LYS 26 16.025 8.473 13.100 213 HZ3 LYS 26 HZ3 LYS 26 14.755 9.586 12.946 214 H GLU 27 H GLU 27 9.046 7.322 11.307 215 HA GLU 27 HA GLU 27 10.131 4.664 10.961 216 HB2 GLU 27 HB2 GLU 27 9.261 5.665 13.638 217 HB3 GLU 27 HB3 GLU 27 8.920 3.996 13.210 218 HG2 GLU 27 HG2 GLU 27 11.635 5.295 13.283 219 HG3 GLU 27 HG3 GLU 27 10.981 4.161 14.466 220 HA PRO 28 HA PRO 28 6.096 3.743 9.471 221 HB2 PRO 28 HB2 PRO 28 6.045 1.105 10.712 222 HB3 PRO 28 HB3 PRO 28 6.216 1.534 9.009 223 HG2 PRO 28 HG2 PRO 28 8.234 0.471 10.474 224 HG3 PRO 28 HG3 PRO 28 8.500 1.579 9.117 225 HD2 PRO 28 HD2 PRO 28 8.552 2.130 12.055 226 HD3 PRO 28 HD3 PRO 28 9.614 2.748 10.774 227 H VAL 29 H VAL 29 3.914 3.450 9.950 228 HA VAL 29 HA VAL 29 3.206 3.466 12.815 229 HB VAL 29 HB VAL 29 1.709 4.737 10.509 230 HG11 VAL 29 HG11 VAL 29 1.079 4.710 13.459 231 HG12 VAL 29 HG12 VAL 29 0.169 3.897 12.187 232 HG13 VAL 29 HG13 VAL 29 0.226 5.658 12.240 233 HG21 VAL 29 HG21 VAL 29 3.713 5.977 11.109 234 HG22 VAL 29 HG22 VAL 29 3.206 5.999 12.798 235 HG23 VAL 29 HG23 VAL 29 2.263 6.861 11.581 236 H TYR 30 H TYR 30 2.049 1.785 13.478 237 HA TYR 30 HA TYR 30 0.966 -0.024 11.438 238 HB2 TYR 30 HB2 TYR 30 1.515 -0.569 14.368 239 HB3 TYR 30 HB3 TYR 30 1.005 -1.753 13.170 240 HD1 TYR 30 HD1 TYR 30 3.684 -0.980 15.020 241 HD2 TYR 30 HD2 TYR 30 2.686 -1.349 10.903 242 HE1 TYR 30 HE1 TYR 30 6.041 -1.435 14.495 243 HE2 TYR 30 HE2 TYR 30 5.043 -1.806 10.365 244 HH TYR 30 HH TYR 30 7.280 -1.390 11.353 245 HA PRO 31 HA PRO 31 -3.077 1.541 12.405 246 HB2 PRO 31 HB2 PRO 31 -4.446 -0.598 11.316 247 HB3 PRO 31 HB3 PRO 31 -3.850 0.789 10.400 248 HG2 PRO 31 HG2 PRO 31 -2.638 -1.924 10.740 249 HG3 PRO 31 HG3 PRO 31 -2.722 -0.904 9.291 250 HD2 PRO 31 HD2 PRO 31 -0.473 -1.107 10.733 251 HD3 PRO 31 HD3 PRO 31 -0.951 0.427 9.974 252 H GLY 32 H GLY 32 -4.177 1.407 14.253 253 HA2 GLY 32 HA2 GLY 32 -5.050 -1.039 15.390 254 HA3 GLY 32 HA3 GLY 32 -3.640 -0.434 16.248 255 HA PRO 33 HA PRO 33 -7.582 2.086 17.237 256 HB2 PRO 33 HB2 PRO 33 -9.091 0.072 18.589 257 HB3 PRO 33 HB3 PRO 33 -9.489 0.930 17.105 258 HG2 PRO 33 HG2 PRO 33 -8.907 -1.775 17.264 259 HG3 PRO 33 HG3 PRO 33 -8.818 -0.806 15.786 260 HD2 PRO 33 HD2 PRO 33 -6.636 -1.675 17.619 261 HD3 PRO 33 HD3 PRO 33 -6.633 -1.500 15.850 262 H ALA 34 H ALA 34 -5.398 2.220 18.495 263 HA ALA 34 HA ALA 34 -4.289 2.598 20.445 264 HB1 ALA 34 HB1 ALA 34 -5.604 3.251 22.384 265 HB2 ALA 34 HB2 ALA 34 -7.056 2.576 21.646 266 HB3 ALA 34 HB3 ALA 34 -6.261 3.970 20.913 267 H THR 35 H THR 35 -4.793 -0.171 19.611 268 HA THR 35 HA THR 35 -5.249 -1.688 22.007 269 HB THR 35 HB THR 35 -4.524 -3.624 20.463 270 HG1 THR 35 HG1 THR 35 -4.073 -3.145 18.434 271 HG21 THR 35 HG21 THR 35 -6.854 -3.103 21.043 272 HG22 THR 35 HG22 THR 35 -6.710 -3.650 19.374 273 HG23 THR 35 HG23 THR 35 -6.918 -1.934 19.723 274 HA PRO 36 HA PRO 36 -1.271 -1.559 23.816 275 HB2 PRO 36 HB2 PRO 36 -1.761 -4.440 24.407 276 HB3 PRO 36 HB3 PRO 36 -1.301 -3.126 25.497 277 HG2 PRO 36 HG2 PRO 36 -3.795 -4.030 25.466 278 HG3 PRO 36 HG3 PRO 36 -3.466 -2.295 25.618 279 HD2 PRO 36 HD2 PRO 36 -4.406 -3.845 23.247 280 HD3 PRO 36 HD3 PRO 36 -4.850 -2.210 23.775 281 H GLU 37 H GLU 37 -1.868 -4.619 22.042 282 HA GLU 37 HA GLU 37 0.893 -5.196 21.720 283 HB2 GLU 37 HB2 GLU 37 -1.368 -6.209 19.993 284 HB3 GLU 37 HB3 GLU 37 0.202 -6.958 20.231 285 HG2 GLU 37 HG2 GLU 37 -0.933 -8.234 21.677 286 HG3 GLU 37 HG3 GLU 37 -0.656 -6.879 22.772 287 H GLN 38 H GLN 38 -1.281 -3.200 19.936 288 HA GLN 38 HA GLN 38 0.420 -3.101 17.601 289 HB2 GLN 38 HB2 GLN 38 -2.142 -1.796 18.423 290 HB3 GLN 38 HB3 GLN 38 -1.199 -1.075 17.129 291 HG2 GLN 38 HG2 GLN 38 -2.973 -2.569 16.317 292 HG3 GLN 38 HG3 GLN 38 -1.365 -3.075 15.814 293 HE21 GLN 38 HE21 GLN 38 -0.512 -4.966 16.619 294 HE22 GLN 38 HE22 GLN 38 -1.460 -6.151 17.445 295 H LEU 39 H LEU 39 0.045 -1.452 20.597 296 HA LEU 39 HA LEU 39 1.572 0.870 19.741 297 HB2 LEU 39 HB2 LEU 39 0.248 0.133 22.344 298 HB3 LEU 39 HB3 LEU 39 1.239 1.566 22.155 299 HG LEU 39 HG LEU 39 -1.270 1.009 20.570 300 HD11 LEU 39 HD11 LEU 39 -0.824 2.820 22.941 301 HD12 LEU 39 HD12 LEU 39 -1.780 1.338 22.930 302 HD13 LEU 39 HD13 LEU 39 -2.299 2.727 21.976 303 HD21 LEU 39 HD21 LEU 39 0.349 2.444 19.422 304 HD22 LEU 39 HD22 LEU 39 0.421 3.495 20.837 305 HD23 LEU 39 HD23 LEU 39 -1.079 3.352 19.918 306 H ASN 40 H ASN 40 2.293 -2.201 20.815 307 HA ASN 40 HA ASN 40 4.652 -1.331 22.299 308 HB2 ASN 40 HB2 ASN 40 4.902 -3.594 23.067 309 HB3 ASN 40 HB3 ASN 40 3.237 -3.109 23.292 310 HD21 ASN 40 HD21 ASN 40 2.601 -5.235 23.464 311 HD22 ASN 40 HD22 ASN 40 2.487 -6.285 22.084 312 H ARG 41 H ARG 41 3.727 -2.622 19.245 313 HA ARG 41 HA ARG 41 6.493 -3.210 18.532 314 HB2 ARG 41 HB2 ARG 41 5.478 -3.959 16.365 315 HB3 ARG 41 HB3 ARG 41 4.908 -4.843 17.774 316 HG2 ARG 41 HG2 ARG 41 2.843 -3.644 17.774 317 HG3 ARG 41 HG3 ARG 41 3.421 -2.551 16.515 318 HD2 ARG 41 HD2 ARG 41 1.898 -4.257 15.627 319 HD3 ARG 41 HD3 ARG 41 3.514 -4.378 14.936 320 HE ARG 41 HE ARG 41 3.795 -6.189 16.766 321 HH11 ARG 41 HH11 ARG 41 0.894 -5.555 14.900 322 HH12 ARG 41 HH12 ARG 41 0.323 -7.189 15.003 323 HH21 ARG 41 HH21 ARG 41 3.033 -8.334 16.913 324 HH22 ARG 41 HH22 ARG 41 1.534 -8.772 16.143 325 H GLY 42 H GLY 42 4.146 -0.742 18.276 326 HA2 GLY 42 HA2 GLY 42 5.966 1.036 16.996 327 HA3 GLY 42 HA3 GLY 42 4.695 0.515 15.898 328 H VAL 43 H VAL 43 3.862 2.615 15.759 329 HA VAL 43 HA VAL 43 2.361 3.434 18.154 330 HB VAL 43 HB VAL 43 3.269 5.202 15.866 331 HG11 VAL 43 HG11 VAL 43 2.448 7.044 17.226 332 HG12 VAL 43 HG12 VAL 43 1.906 5.907 18.461 333 HG13 VAL 43 HG13 VAL 43 1.147 5.907 16.868 334 HG21 VAL 43 HG21 VAL 43 4.258 5.040 18.709 335 HG22 VAL 43 HG22 VAL 43 4.766 6.226 17.509 336 HG23 VAL 43 HG23 VAL 43 5.138 4.517 17.274 337 H SER 44 H SER 44 0.163 3.918 17.861 338 HA SER 44 HA SER 44 -0.933 3.014 15.291 339 HB2 SER 44 HB2 SER 44 -1.834 2.209 18.061 340 HB3 SER 44 HB3 SER 44 -2.695 1.813 16.573 341 HG SER 44 HG SER 44 -0.572 0.877 15.912 342 H PHE 45 H PHE 45 -3.508 3.264 15.604 343 HA PHE 45 HA PHE 45 -3.908 6.123 15.749 344 HB2 PHE 45 HB2 PHE 45 -5.632 3.819 14.825 345 HB3 PHE 45 HB3 PHE 45 -6.214 5.476 14.883 346 HD1 PHE 45 HD1 PHE 45 -4.927 7.223 13.547 347 HD2 PHE 45 HD2 PHE 45 -4.468 3.034 12.970 348 HE1 PHE 45 HE1 PHE 45 -3.989 7.641 11.316 349 HE2 PHE 45 HE2 PHE 45 -3.531 3.444 10.729 350 HZ PHE 45 HZ PHE 45 -3.289 5.756 9.905 351 H ALA 46 H ALA 46 -6.311 6.626 16.589 352 HA ALA 46 HA ALA 46 -6.311 5.797 19.389 353 HB1 ALA 46 HB1 ALA 46 -6.498 8.196 18.858 354 HB2 ALA 46 HB2 ALA 46 -7.901 7.597 19.742 355 HB3 ALA 46 HB3 ALA 46 -8.008 7.875 18.005 356 H GLU 47 H GLU 47 -8.591 6.023 16.663 357 HA GLU 47 HA GLU 47 -10.045 3.758 17.865 358 HB2 GLU 47 HB2 GLU 47 -11.163 5.992 16.159 359 HB3 GLU 47 HB3 GLU 47 -12.073 4.596 16.717 360 HG2 GLU 47 HG2 GLU 47 -11.539 5.335 19.066 361 HG3 GLU 47 HG3 GLU 47 -10.930 6.832 18.361 362 H GLU 48 H GLU 48 -11.631 3.089 15.740 363 HA GLU 48 HA GLU 48 -9.679 2.372 13.652 364 HB2 GLU 48 HB2 GLU 48 -10.786 0.586 15.279 365 HB3 GLU 48 HB3 GLU 48 -12.142 0.743 14.172 366 HG2 GLU 48 HG2 GLU 48 -10.712 0.088 12.312 367 HG3 GLU 48 HG3 GLU 48 -9.336 -0.039 13.410 368 H ASN 49 H ASN 49 -11.354 4.733 13.891 369 HA ASN 49 HA ASN 49 -13.424 4.323 11.835 370 HB2 ASN 49 HB2 ASN 49 -14.236 5.232 13.970 371 HB3 ASN 49 HB3 ASN 49 -13.075 6.548 13.866 372 HD21 ASN 49 HD21 ASN 49 -16.076 5.278 12.722 373 HD22 ASN 49 HD22 ASN 49 -16.587 6.685 11.857 374 H GLU 50 H GLU 50 -10.529 6.006 12.642 375 HA GLU 50 HA GLU 50 -10.616 8.112 10.810 376 HB2 GLU 50 HB2 GLU 50 -8.218 6.688 11.970 377 HB3 GLU 50 HB3 GLU 50 -8.199 8.258 11.197 378 HG2 GLU 50 HG2 GLU 50 -8.249 8.916 13.366 379 HG3 GLU 50 HG3 GLU 50 -9.978 8.827 13.049 380 H SER 51 H SER 51 -8.981 8.380 9.031 381 HA SER 51 HA SER 51 -8.275 5.958 7.594 382 HB2 SER 51 HB2 SER 51 -10.018 8.108 6.362 383 HB3 SER 51 HB3 SER 51 -9.295 6.760 5.485 384 HG SER 51 HG SER 51 -10.738 6.029 7.723 385 H LEU 52 H LEU 52 -6.824 6.503 5.709 386 HA LEU 52 HA LEU 52 -4.861 8.321 6.760 387 HB2 LEU 52 HB2 LEU 52 -4.791 6.627 4.266 388 HB3 LEU 52 HB3 LEU 52 -3.422 7.457 4.979 389 HG LEU 52 HG LEU 52 -4.965 5.189 6.239 390 HD11 LEU 52 HD11 LEU 52 -2.173 5.302 5.111 391 HD12 LEU 52 HD12 LEU 52 -3.555 4.488 4.377 392 HD13 LEU 52 HD13 LEU 52 -2.911 3.918 5.918 393 HD21 LEU 52 HD21 LEU 52 -2.536 6.683 7.223 394 HD22 LEU 52 HD22 LEU 52 -3.245 5.254 7.975 395 HD23 LEU 52 HD23 LEU 52 -4.156 6.763 7.916 396 H ASP 53 H ASP 53 -7.472 8.891 4.899 397 HA ASP 53 HA ASP 53 -6.245 11.345 3.865 398 HB2 ASP 53 HB2 ASP 53 -6.500 9.757 1.979 399 HB3 ASP 53 HB3 ASP 53 -8.221 9.645 2.317 400 H ASP 54 H ASP 54 -8.097 10.244 6.070 401 HA ASP 54 HA ASP 54 -10.630 11.519 5.527 402 HB2 ASP 54 HB2 ASP 54 -10.320 9.396 6.905 403 HB3 ASP 54 HB3 ASP 54 -9.713 10.441 8.188 404 H GLN 55 H GLN 55 -11.562 13.091 7.049 405 HA GLN 55 HA GLN 55 -9.935 15.380 7.292 406 HB2 GLN 55 HB2 GLN 55 -12.420 15.372 7.011 407 HB3 GLN 55 HB3 GLN 55 -12.572 14.786 8.657 408 HG2 GLN 55 HG2 GLN 55 -11.063 17.300 8.246 409 HG3 GLN 55 HG3 GLN 55 -12.807 17.348 8.006 410 HE21 GLN 55 HE21 GLN 55 -10.243 17.095 10.298 411 HE22 GLN 55 HE22 GLN 55 -11.232 17.140 11.717 412 H ASN 56 H ASN 56 -10.916 12.858 9.554 413 HA ASN 56 HA ASN 56 -9.153 14.129 11.534 414 HB2 ASN 56 HB2 ASN 56 -10.431 13.342 13.313 415 HB3 ASN 56 HB3 ASN 56 -11.638 13.800 12.128 416 HD21 ASN 56 HD21 ASN 56 -11.426 11.419 10.487 417 HD22 ASN 56 HD22 ASN 56 -12.080 10.125 11.425 418 H ILE 57 H ILE 57 -7.359 13.142 12.100 419 HA ILE 57 HA ILE 57 -7.195 10.224 11.850 420 HB ILE 57 HB ILE 57 -4.967 12.093 11.019 421 HG12 ILE 57 HG12 ILE 57 -6.839 10.418 9.334 422 HG13 ILE 57 HG13 ILE 57 -6.788 12.176 9.398 423 HG21 ILE 57 HG21 ILE 57 -4.186 9.984 11.951 424 HG22 ILE 57 HG22 ILE 57 -3.888 10.039 10.214 425 HG23 ILE 57 HG23 ILE 57 -5.232 9.090 10.848 426 HD11 ILE 57 HD11 ILE 57 -4.574 12.162 8.435 427 HD12 ILE 57 HD12 ILE 57 -5.716 11.295 7.407 428 HD13 ILE 57 HD13 ILE 57 -4.582 10.401 8.420 429 H SER 58 H SER 58 -6.707 9.436 13.764 430 HA SER 58 HA SER 58 -5.405 11.234 15.697 431 HB2 SER 58 HB2 SER 58 -7.373 9.010 16.281 432 HB3 SER 58 HB3 SER 58 -6.713 10.166 17.439 433 HG SER 58 HG SER 58 -8.801 10.434 15.730 434 H ILE 59 H ILE 59 -3.473 10.613 16.387 435 HA ILE 59 HA ILE 59 -2.784 7.751 16.198 436 HB ILE 59 HB ILE 59 -0.938 10.133 15.900 437 HG12 ILE 59 HG12 ILE 59 -1.863 8.064 13.889 438 HG13 ILE 59 HG13 ILE 59 -2.325 9.762 13.917 439 HG21 ILE 59 HG21 ILE 59 0.188 8.304 17.024 440 HG22 ILE 59 HG22 ILE 59 0.799 8.476 15.379 441 HG23 ILE 59 HG23 ILE 59 -0.334 7.182 15.769 442 HD11 ILE 59 HD11 ILE 59 -0.011 10.401 13.475 443 HD12 ILE 59 HD12 ILE 59 -0.644 9.335 12.220 444 HD13 ILE 59 HD13 ILE 59 0.452 8.698 13.446 445 H ALA 60 H ALA 60 -2.330 6.784 18.076 446 HA ALA 60 HA ALA 60 -2.219 8.427 20.485 447 HB1 ALA 60 HB1 ALA 60 -2.420 5.432 20.184 448 HB2 ALA 60 HB2 ALA 60 -3.772 6.540 20.428 449 HB3 ALA 60 HB3 ALA 60 -2.560 6.338 21.691 450 H GLY 61 H GLY 61 -0.299 9.065 21.209 451 HA2 GLY 61 HA2 GLY 61 2.037 7.385 20.545 452 HA3 GLY 61 HA3 GLY 61 2.082 9.134 20.673 453 H HIS 62 H HIS 62 3.811 7.391 21.997 454 HA HIS 62 HA HIS 62 3.352 8.281 24.726 455 HB2 HIS 62 HB2 HIS 62 4.094 6.019 25.609 456 HB3 HIS 62 HB3 HIS 62 2.474 6.063 24.931 457 HD1 HIS 62 HD1 HIS 62 5.976 4.879 24.011 458 HD2 HIS 62 HD2 HIS 62 2.011 4.256 22.925 459 HE1 HIS 62 HE1 HIS 62 5.994 2.873 22.505 460 H THR 63 H THR 63 5.248 8.886 25.722 461 HA THR 63 HA THR 63 7.400 9.619 24.170 462 HB THR 63 HB THR 63 7.759 8.979 27.081 463 HG1 THR 63 HG1 THR 63 6.745 11.475 26.433 464 HG21 THR 63 HG21 THR 63 9.684 9.869 25.863 465 HG22 THR 63 HG22 THR 63 9.081 11.052 27.024 466 HG23 THR 63 HG23 THR 63 8.713 11.234 25.309 467 H PHE 64 H PHE 64 7.635 7.053 26.660 468 HA PHE 64 HA PHE 64 8.719 5.167 24.871 469 HB2 PHE 64 HB2 PHE 64 11.015 5.042 25.708 470 HB3 PHE 64 HB3 PHE 64 10.697 6.593 24.942 471 HD1 PHE 64 HD1 PHE 64 11.278 4.869 28.123 472 HD2 PHE 64 HD2 PHE 64 10.716 8.618 26.197 473 HE1 PHE 64 HE1 PHE 64 12.049 6.021 30.144 474 HE2 PHE 64 HE2 PHE 64 11.479 9.776 28.217 475 HZ PHE 64 HZ PHE 64 12.153 8.480 30.201 476 H ILE 65 H ILE 65 9.194 3.157 25.855 477 HA ILE 65 HA ILE 65 8.200 2.891 28.591 478 HB ILE 65 HB ILE 65 8.916 0.737 26.591 479 HG12 ILE 65 HG12 ILE 65 6.945 1.993 25.883 480 HG13 ILE 65 HG13 ILE 65 6.483 0.380 26.408 481 HG21 ILE 65 HG21 ILE 65 7.587 0.540 29.288 482 HG22 ILE 65 HG22 ILE 65 9.194 -0.046 28.863 483 HG23 ILE 65 HG23 ILE 65 7.765 -0.790 28.145 484 HD11 ILE 65 HD11 ILE 65 6.194 2.909 28.010 485 HD12 ILE 65 HD12 ILE 65 5.737 1.292 28.546 486 HD13 ILE 65 HD13 ILE 65 4.902 2.039 27.184 487 H ASP 66 H ASP 66 10.901 1.902 26.559 488 HA ASP 66 HA ASP 66 12.813 2.596 28.589 489 HB2 ASP 66 HB2 ASP 66 12.085 0.291 29.248 490 HB3 ASP 66 HB3 ASP 66 12.612 -0.290 27.674 491 H ARG 67 H ARG 67 11.985 3.196 25.803 492 HA ARG 67 HA ARG 67 14.444 2.410 24.366 493 HB2 ARG 67 HB2 ARG 67 11.870 3.200 23.011 494 HB3 ARG 67 HB3 ARG 67 13.254 2.364 22.322 495 HG2 ARG 67 HG2 ARG 67 11.352 1.228 24.358 496 HG3 ARG 67 HG3 ARG 67 11.354 0.869 22.633 497 HD2 ARG 67 HD2 ARG 67 13.691 0.359 24.458 498 HD3 ARG 67 HD3 ARG 67 12.459 -0.844 24.091 499 HE ARG 67 HE ARG 67 13.772 0.328 21.786 500 HH11 ARG 67 HH11 ARG 67 13.746 -2.239 24.158 501 HH12 ARG 67 HH12 ARG 67 14.631 -3.358 23.168 502 HH21 ARG 67 HH21 ARG 67 14.960 -1.140 20.461 503 HH22 ARG 67 HH22 ARG 67 15.329 -2.722 21.075 504 HA PRO 68 HA PRO 68 15.088 6.835 24.537 505 HB2 PRO 68 HB2 PRO 68 17.602 6.836 23.586 506 HB3 PRO 68 HB3 PRO 68 17.215 6.270 25.218 507 HG2 PRO 68 HG2 PRO 68 17.760 4.695 22.739 508 HG3 PRO 68 HG3 PRO 68 18.283 4.378 24.403 509 HD2 PRO 68 HD2 PRO 68 16.159 3.130 23.181 510 HD3 PRO 68 HD3 PRO 68 16.331 3.319 24.935 511 H ASN 69 H ASN 69 14.828 4.936 21.724 512 HA ASN 69 HA ASN 69 14.750 7.223 19.993 513 HB2 ASN 69 HB2 ASN 69 17.208 6.706 20.270 514 HB3 ASN 69 HB3 ASN 69 16.904 5.159 19.494 515 HD21 ASN 69 HD21 ASN 69 18.564 7.461 18.752 516 HD22 ASN 69 HD22 ASN 69 18.087 7.879 17.141 517 H TYR 70 H TYR 70 12.674 6.425 19.646 518 HA TYR 70 HA TYR 70 12.662 4.631 17.368 519 HB2 TYR 70 HB2 TYR 70 10.817 3.268 18.155 520 HB3 TYR 70 HB3 TYR 70 12.141 3.165 19.303 521 HD1 TYR 70 HD1 TYR 70 8.684 3.658 18.916 522 HD2 TYR 70 HD2 TYR 70 11.975 4.789 21.354 523 HE1 TYR 70 HE1 TYR 70 7.131 4.232 20.729 524 HE2 TYR 70 HE2 TYR 70 10.433 5.381 23.170 525 HH TYR 70 HH TYR 70 7.966 6.101 23.314 526 H GLN 71 H GLN 71 9.799 4.549 17.200 527 HA GLN 71 HA GLN 71 9.235 6.569 15.508 528 HB2 GLN 71 HB2 GLN 71 7.219 5.377 17.414 529 HB3 GLN 71 HB3 GLN 71 6.852 6.186 15.902 530 HG2 GLN 71 HG2 GLN 71 6.640 3.909 15.447 531 HG3 GLN 71 HG3 GLN 71 8.199 4.363 14.768 532 HE21 GLN 71 HE21 GLN 71 6.596 2.708 17.385 533 HE22 GLN 71 HE22 GLN 71 7.949 1.748 17.865 534 H PHE 72 H PHE 72 7.573 6.700 18.636 535 HA PHE 72 HA PHE 72 7.769 9.621 18.507 536 HB2 PHE 72 HB2 PHE 72 5.681 7.794 19.671 537 HB3 PHE 72 HB3 PHE 72 5.822 9.461 20.208 538 HD1 PHE 72 HD1 PHE 72 6.775 9.538 16.890 539 HD2 PHE 72 HD2 PHE 72 3.313 9.013 19.309 540 HE1 PHE 72 HE1 PHE 72 5.358 10.271 15.019 541 HE2 PHE 72 HE2 PHE 72 1.891 9.742 17.442 542 HZ PHE 72 HZ PHE 72 2.913 10.371 15.292 543 H THR 73 H THR 73 9.478 10.187 19.659 544 HA THR 73 HA THR 73 9.406 9.626 22.521 545 HB THR 73 HB THR 73 11.991 9.339 20.981 546 HG1 THR 73 HG1 THR 73 9.988 7.495 21.607 547 HG21 THR 73 HG21 THR 73 12.220 9.974 23.339 548 HG22 THR 73 HG22 THR 73 12.804 8.335 23.058 549 HG23 THR 73 HG23 THR 73 11.228 8.590 23.805 550 H ASN 74 H ASN 74 11.159 11.279 19.917 551 HA ASN 74 HA ASN 74 11.861 13.480 21.696 552 HB2 ASN 74 HB2 ASN 74 13.478 12.393 20.069 553 HB3 ASN 74 HB3 ASN 74 12.545 13.121 18.769 554 HD21 ASN 74 HD21 ASN 74 14.200 14.369 18.035 555 HD22 ASN 74 HD22 ASN 74 14.832 15.728 18.908 556 H LEU 75 H LEU 75 9.070 12.988 20.797 557 HA LEU 75 HA LEU 75 8.369 14.814 18.749 558 HB2 LEU 75 HB2 LEU 75 7.070 12.857 20.279 559 HB3 LEU 75 HB3 LEU 75 6.223 14.352 20.626 560 HG LEU 75 HG LEU 75 6.664 13.171 17.880 561 HD11 LEU 75 HD11 LEU 75 4.229 12.853 17.907 562 HD12 LEU 75 HD12 LEU 75 4.195 13.384 19.590 563 HD13 LEU 75 HD13 LEU 75 5.050 11.906 19.147 564 HD21 LEU 75 HD21 LEU 75 5.126 15.626 18.716 565 HD22 LEU 75 HD22 LEU 75 5.168 14.935 17.094 566 HD23 LEU 75 HD23 LEU 75 6.637 15.605 17.805 567 H LYS 76 H LYS 76 9.156 15.273 22.039 568 HA LYS 76 HA LYS 76 7.616 17.656 22.428 569 HB2 LYS 76 HB2 LYS 76 8.920 17.947 24.487 570 HB3 LYS 76 HB3 LYS 76 8.260 16.326 24.366 571 HG2 LYS 76 HG2 LYS 76 11.038 16.822 23.416 572 HG3 LYS 76 HG3 LYS 76 10.727 16.732 25.143 573 HD2 LYS 76 HD2 LYS 76 9.463 14.585 23.634 574 HD3 LYS 76 HD3 LYS 76 11.221 14.608 23.480 575 HE2 LYS 76 HE2 LYS 76 10.595 13.220 25.352 576 HE3 LYS 76 HE3 LYS 76 11.398 14.675 25.937 577 HZ1 LYS 76 HZ1 LYS 76 9.159 15.606 26.383 578 HZ2 LYS 76 HZ2 LYS 76 9.512 14.243 27.305 579 HZ3 LYS 76 HZ3 LYS 76 8.471 14.109 25.977 580 H ALA 77 H ALA 77 10.380 16.957 20.686 581 HA ALA 77 HA ALA 77 11.609 19.568 20.998 582 HB1 ALA 77 HB1 ALA 77 12.946 17.503 20.696 583 HB2 ALA 77 HB2 ALA 77 13.299 18.750 19.498 584 HB3 ALA 77 HB3 ALA 77 12.298 17.364 19.062 585 H ALA 78 H ALA 78 9.040 18.316 19.327 586 HA ALA 78 HA ALA 78 9.279 19.779 16.856 587 HB1 ALA 78 HB1 ALA 78 6.955 19.056 16.507 588 HB2 ALA 78 HB2 ALA 78 6.911 18.429 18.157 589 HB3 ALA 78 HB3 ALA 78 7.998 17.708 16.967 590 H LYS 79 H LYS 79 7.437 21.274 16.261 591 HA LYS 79 HA LYS 79 6.249 22.880 18.291 592 HB2 LYS 79 HB2 LYS 79 7.538 24.983 17.416 593 HB3 LYS 79 HB3 LYS 79 8.255 23.974 18.662 594 HG2 LYS 79 HG2 LYS 79 10.039 24.230 17.272 595 HG3 LYS 79 HG3 LYS 79 9.339 22.757 16.603 596 HD2 LYS 79 HD2 LYS 79 8.081 24.259 15.001 597 HD3 LYS 79 HD3 LYS 79 9.136 25.563 15.550 598 HE2 LYS 79 HE2 LYS 79 9.778 23.137 13.945 599 HE3 LYS 79 HE3 LYS 79 10.273 24.811 13.703 600 HZ1 LYS 79 HZ1 LYS 79 11.318 22.925 15.741 601 HZ2 LYS 79 HZ2 LYS 79 11.741 24.567 15.666 602 HZ3 LYS 79 HZ3 LYS 79 12.146 23.523 14.394 603 H LYS 80 H LYS 80 5.806 25.200 16.858 604 HA LYS 80 HA LYS 80 3.525 24.474 15.543 605 HB2 LYS 80 HB2 LYS 80 3.461 26.773 14.618 606 HB3 LYS 80 HB3 LYS 80 3.781 26.701 16.342 607 HG2 LYS 80 HG2 LYS 80 6.101 27.189 15.994 608 HG3 LYS 80 HG3 LYS 80 5.909 27.067 14.244 609 HD2 LYS 80 HD2 LYS 80 4.592 29.115 16.032 610 HD3 LYS 80 HD3 LYS 80 5.970 29.403 14.966 611 HE2 LYS 80 HE2 LYS 80 4.610 28.875 13.024 612 HE3 LYS 80 HE3 LYS 80 3.240 28.489 14.065 613 HZ1 LYS 80 HZ1 LYS 80 2.971 30.673 13.166 614 HZ2 LYS 80 HZ2 LYS 80 4.502 31.157 13.715 615 HZ3 LYS 80 HZ3 LYS 80 3.270 30.814 14.830 616 H GLY 81 H GLY 81 6.620 25.259 13.899 617 HA2 GLY 81 HA2 GLY 81 5.349 24.149 11.469 618 HA3 GLY 81 HA3 GLY 81 6.631 25.359 11.448 619 H SER 82 H SER 82 6.102 22.128 12.868 620 HA SER 82 HA SER 82 8.848 21.410 12.444 621 HB2 SER 82 HB2 SER 82 6.459 19.864 13.453 622 HB3 SER 82 HB3 SER 82 8.083 19.190 13.343 623 HG SER 82 HG SER 82 8.810 20.732 14.807 624 H MET 83 H MET 83 6.051 21.331 10.571 625 HA MET 83 HA MET 83 5.386 20.322 8.658 626 HB2 MET 83 HB2 MET 83 8.373 20.294 8.310 627 HB3 MET 83 HB3 MET 83 7.280 19.726 7.054 628 HG2 MET 83 HG2 MET 83 6.700 22.379 8.192 629 HG3 MET 83 HG3 MET 83 8.167 22.243 7.231 630 HE1 MET 83 HE1 MET 83 4.349 21.489 7.330 631 HE2 MET 83 HE2 MET 83 4.853 20.052 6.430 632 HE3 MET 83 HE3 MET 83 3.924 21.321 5.625 633 H VAL 84 H VAL 84 4.344 18.584 9.466 634 HA VAL 84 HA VAL 84 5.794 16.125 10.012 635 HB VAL 84 HB VAL 84 2.815 16.625 10.066 636 HG11 VAL 84 HG11 VAL 84 3.430 14.266 9.917 637 HG12 VAL 84 HG12 VAL 84 2.721 14.651 11.487 638 HG13 VAL 84 HG13 VAL 84 4.467 14.446 11.333 639 HG21 VAL 84 HG21 VAL 84 3.044 16.910 12.474 640 HG22 VAL 84 HG22 VAL 84 3.959 18.136 11.596 641 HG23 VAL 84 HG23 VAL 84 4.797 16.768 12.331 642 H TYR 85 H TYR 85 6.225 14.713 8.443 643 HA TYR 85 HA TYR 85 4.619 14.774 6.001 644 HB2 TYR 85 HB2 TYR 85 7.199 13.312 6.614 645 HB3 TYR 85 HB3 TYR 85 6.382 13.322 5.055 646 HD1 TYR 85 HD1 TYR 85 8.638 15.066 7.249 647 HD2 TYR 85 HD2 TYR 85 6.206 15.487 3.789 648 HE1 TYR 85 HE1 TYR 85 9.890 17.085 6.627 649 HE2 TYR 85 HE2 TYR 85 7.455 17.509 3.152 650 HH TYR 85 HH TYR 85 8.831 19.241 4.223 651 H PHE 86 H PHE 86 2.832 13.596 6.180 652 HA PHE 86 HA PHE 86 2.911 11.056 7.613 653 HB2 PHE 86 HB2 PHE 86 1.001 12.770 7.790 654 HB3 PHE 86 HB3 PHE 86 0.525 12.231 6.185 655 HD1 PHE 86 HD1 PHE 86 -1.586 11.329 6.740 656 HD2 PHE 86 HD2 PHE 86 1.900 10.041 8.820 657 HE1 PHE 86 HE1 PHE 86 -2.870 9.489 7.750 658 HE2 PHE 86 HE2 PHE 86 0.620 8.199 9.830 659 HZ PHE 86 HZ PHE 86 -1.768 7.921 9.295 660 H LYS 87 H LYS 87 4.040 9.673 6.386 661 HA LYS 87 HA LYS 87 3.764 9.590 3.522 662 HB2 LYS 87 HB2 LYS 87 5.929 9.255 4.762 663 HB3 LYS 87 HB3 LYS 87 5.287 7.730 5.350 664 HG2 LYS 87 HG2 LYS 87 6.736 7.298 3.502 665 HG3 LYS 87 HG3 LYS 87 5.073 6.966 3.008 666 HD2 LYS 87 HD2 LYS 87 6.209 8.166 1.252 667 HD3 LYS 87 HD3 LYS 87 4.969 9.195 1.969 668 HE2 LYS 87 HE2 LYS 87 7.050 10.422 1.552 669 HE3 LYS 87 HE3 LYS 87 6.646 10.366 3.266 670 HZ1 LYS 87 HZ1 LYS 87 8.479 8.367 2.123 671 HZ2 LYS 87 HZ2 LYS 87 8.375 8.932 3.721 672 HZ3 LYS 87 HZ3 LYS 87 9.050 9.912 2.512 673 H VAL 88 H VAL 88 1.589 8.961 3.253 674 HA VAL 88 HA VAL 88 0.767 6.413 4.388 675 HB VAL 88 HB VAL 88 -1.430 6.945 3.208 676 HG11 VAL 88 HG11 VAL 88 -0.370 8.829 5.311 677 HG12 VAL 88 HG12 VAL 88 -1.105 7.252 5.596 678 HG13 VAL 88 HG13 VAL 88 -2.074 8.571 4.938 679 HG21 VAL 88 HG21 VAL 88 -1.796 9.276 2.599 680 HG22 VAL 88 HG22 VAL 88 -0.525 8.559 1.606 681 HG23 VAL 88 HG23 VAL 88 -0.103 9.636 2.936 682 H GLY 89 H GLY 89 1.974 4.933 3.320 683 HA2 GLY 89 HA2 GLY 89 2.363 3.367 1.685 684 HA3 GLY 89 HA3 GLY 89 0.996 4.043 0.805 685 H ASN 90 H ASN 90 1.336 5.666 -0.704 686 HA ASN 90 HA ASN 90 4.150 6.049 -1.481 687 HB2 ASN 90 HB2 ASN 90 3.352 6.198 -3.835 688 HB3 ASN 90 HB3 ASN 90 3.074 4.618 -3.108 689 HD21 ASN 90 HD21 ASN 90 1.003 3.908 -2.782 690 HD22 ASN 90 HD22 ASN 90 -0.385 4.732 -3.400 691 H GLU 91 H GLU 91 1.483 7.598 -0.283 692 HA GLU 91 HA GLU 91 1.993 10.083 -1.744 693 HB2 GLU 91 HB2 GLU 91 -0.225 9.255 0.117 694 HB3 GLU 91 HB3 GLU 91 -0.002 10.917 -0.407 695 HG2 GLU 91 HG2 GLU 91 -0.109 10.020 -2.776 696 HG3 GLU 91 HG3 GLU 91 -0.704 8.523 -2.059 697 H THR 92 H THR 92 2.558 11.980 -0.749 698 HA THR 92 HA THR 92 3.432 11.773 2.055 699 HB THR 92 HB THR 92 4.808 13.469 -0.030 700 HG1 THR 92 HG1 THR 92 5.077 11.283 -0.610 701 HG21 THR 92 HG21 THR 92 5.127 14.127 2.312 702 HG22 THR 92 HG22 THR 92 6.623 13.499 1.616 703 HG23 THR 92 HG23 THR 92 5.663 12.490 2.698 704 H ARG 93 H ARG 93 1.868 12.889 3.089 705 HA ARG 93 HA ARG 93 1.166 15.528 2.006 706 HB2 ARG 93 HB2 ARG 93 -0.895 15.354 3.365 707 HB3 ARG 93 HB3 ARG 93 -0.759 14.091 2.152 708 HG2 ARG 93 HG2 ARG 93 0.235 12.689 4.096 709 HG3 ARG 93 HG3 ARG 93 -0.549 13.895 5.121 710 HD2 ARG 93 HD2 ARG 93 -1.786 11.959 3.194 711 HD3 ARG 93 HD3 ARG 93 -2.156 12.216 4.899 712 HE ARG 93 HE ARG 93 -2.916 14.552 3.955 713 HH11 ARG 93 HH11 ARG 93 -3.478 11.341 2.668 714 HH12 ARG 93 HH12 ARG 93 -4.870 11.816 1.749 715 HH21 ARG 93 HH21 ARG 93 -4.735 15.183 2.732 716 HH22 ARG 93 HH22 ARG 93 -5.590 13.983 1.792 717 H LYS 94 H LYS 94 1.290 17.330 3.292 718 HA LYS 94 HA LYS 94 3.041 16.965 5.619 719 HB2 LYS 94 HB2 LYS 94 3.544 19.485 5.013 720 HB3 LYS 94 HB3 LYS 94 4.369 18.174 4.200 721 HG2 LYS 94 HG2 LYS 94 2.528 18.348 2.435 722 HG3 LYS 94 HG3 LYS 94 2.112 19.879 3.206 723 HD2 LYS 94 HD2 LYS 94 4.865 19.223 2.161 724 HD3 LYS 94 HD3 LYS 94 3.636 20.075 1.223 725 HE2 LYS 94 HE2 LYS 94 4.779 20.978 3.865 726 HE3 LYS 94 HE3 LYS 94 5.225 21.616 2.284 727 HZ1 LYS 94 HZ1 LYS 94 3.000 22.429 1.977 728 HZ2 LYS 94 HZ2 LYS 94 3.592 23.002 3.465 729 HZ3 LYS 94 HZ3 LYS 94 2.488 21.717 3.426 730 H TYR 95 H TYR 95 2.477 17.681 7.526 731 HA TYR 95 HA TYR 95 0.103 19.415 7.735 732 HB2 TYR 95 HB2 TYR 95 1.090 17.287 9.646 733 HB3 TYR 95 HB3 TYR 95 -0.280 18.350 9.943 734 HD1 TYR 95 HD1 TYR 95 -2.423 17.797 9.146 735 HD2 TYR 95 HD2 TYR 95 0.964 15.680 7.685 736 HE1 TYR 95 HE1 TYR 95 -3.914 16.186 8.046 737 HE2 TYR 95 HE2 TYR 95 -0.519 14.068 6.573 738 HH TYR 95 HH TYR 95 -3.749 14.604 6.053 739 H LYS 96 H LYS 96 0.092 20.990 9.406 740 HA LYS 96 HA LYS 96 2.787 21.708 10.384 741 HB2 LYS 96 HB2 LYS 96 1.395 23.211 8.693 742 HB3 LYS 96 HB3 LYS 96 0.593 23.727 10.166 743 HG2 LYS 96 HG2 LYS 96 2.295 25.286 9.710 744 HG3 LYS 96 HG3 LYS 96 2.849 24.312 11.075 745 HD2 LYS 96 HD2 LYS 96 4.742 24.323 9.778 746 HD3 LYS 96 HD3 LYS 96 3.948 22.878 9.154 747 HE2 LYS 96 HE2 LYS 96 4.750 24.209 7.317 748 HE3 LYS 96 HE3 LYS 96 2.988 24.233 7.331 749 HZ1 LYS 96 HZ1 LYS 96 3.909 26.428 6.909 750 HZ2 LYS 96 HZ2 LYS 96 4.755 26.381 8.379 751 HZ3 LYS 96 HZ3 LYS 96 3.057 26.411 8.377 752 H MET 97 H MET 97 3.023 22.062 12.565 753 HA MET 97 HA MET 97 0.881 21.100 14.253 754 HB2 MET 97 HB2 MET 97 3.696 22.018 14.860 755 HB3 MET 97 HB3 MET 97 2.565 21.520 16.107 756 HG2 MET 97 HG2 MET 97 3.530 19.799 13.839 757 HG3 MET 97 HG3 MET 97 4.130 19.750 15.496 758 HE1 MET 97 HE1 MET 97 3.642 17.240 16.014 759 HE2 MET 97 HE2 MET 97 3.331 17.118 14.284 760 HE3 MET 97 HE3 MET 97 2.194 16.410 15.436 761 H THR 98 H THR 98 -0.408 23.028 13.440 762 HA THR 98 HA THR 98 0.314 25.621 14.401 763 HB THR 98 HB THR 98 -0.923 25.543 12.374 764 HG1 THR 98 HG1 THR 98 -1.578 27.119 14.176 765 HG21 THR 98 HG21 THR 98 -1.998 23.389 12.628 766 HG22 THR 98 HG22 THR 98 -3.201 24.618 12.236 767 HG23 THR 98 HG23 THR 98 -3.048 24.033 13.892 768 H SER 99 H SER 99 -1.467 22.960 15.721 769 HA SER 99 HA SER 99 -2.249 24.681 17.969 770 HB2 SER 99 HB2 SER 99 -3.933 22.460 16.803 771 HB3 SER 99 HB3 SER 99 -4.364 23.498 18.155 772 HG SER 99 HG SER 99 -3.733 25.114 16.202 773 H ILE 100 H ILE 100 -0.625 24.034 19.299 774 HA ILE 100 HA ILE 100 -0.531 21.178 20.023 775 HB ILE 100 HB ILE 100 1.514 23.344 20.564 776 HG12 ILE 100 HG12 ILE 100 1.638 20.985 18.671 777 HG13 ILE 100 HG13 ILE 100 1.376 22.656 18.187 778 HG21 ILE 100 HG21 ILE 100 1.477 21.664 22.326 779 HG22 ILE 100 HG22 ILE 100 2.945 21.526 21.361 780 HG23 ILE 100 HG23 ILE 100 1.625 20.381 21.123 781 HD11 ILE 100 HD11 ILE 100 3.581 23.247 19.052 782 HD12 ILE 100 HD12 ILE 100 3.675 21.992 17.818 783 HD13 ILE 100 HD13 ILE 100 3.842 21.569 19.521 784 H ARG 101 H ARG 101 -1.387 20.620 21.939 785 HA ARG 101 HA ARG 101 -1.643 22.640 24.027 786 HB2 ARG 101 HB2 ARG 101 -3.735 22.657 22.831 787 HB3 ARG 101 HB3 ARG 101 -3.833 20.902 22.880 788 HG2 ARG 101 HG2 ARG 101 -4.125 20.943 25.249 789 HG3 ARG 101 HG3 ARG 101 -3.880 22.683 25.269 790 HD2 ARG 101 HD2 ARG 101 -6.133 21.256 23.871 791 HD3 ARG 101 HD3 ARG 101 -6.257 22.054 25.436 792 HE ARG 101 HE ARG 101 -5.593 23.516 22.965 793 HH11 ARG 101 HH11 ARG 101 -7.239 23.241 26.027 794 HH12 ARG 101 HH12 ARG 101 -8.199 24.674 25.797 795 HH21 ARG 101 HH21 ARG 101 -6.819 25.454 22.664 796 HH22 ARG 101 HH22 ARG 101 -7.947 25.939 23.892 797 H ASP 102 H ASP 102 -2.021 21.714 26.154 798 HA ASP 102 HA ASP 102 -1.321 18.858 26.342 799 HB2 ASP 102 HB2 ASP 102 -0.335 19.274 28.523 800 HB3 ASP 102 HB3 ASP 102 0.403 20.345 27.340 801 H VAL 103 H VAL 103 -2.855 17.556 27.139 802 HA VAL 103 HA VAL 103 -5.060 18.844 28.603 803 HB VAL 103 HB VAL 103 -6.580 17.102 27.678 804 HG11 VAL 103 HG11 VAL 103 -6.524 19.344 26.751 805 HG12 VAL 103 HG12 VAL 103 -6.805 18.156 25.477 806 HG13 VAL 103 HG13 VAL 103 -5.210 18.883 25.669 807 HG21 VAL 103 HG21 VAL 103 -5.898 15.879 25.673 808 HG22 VAL 103 HG22 VAL 103 -4.918 15.424 27.066 809 HG23 VAL 103 HG23 VAL 103 -4.259 16.510 25.842 810 H LYS 104 H LYS 104 -5.657 18.047 30.448 811 HA LYS 104 HA LYS 104 -4.130 15.819 31.559 812 HB2 LYS 104 HB2 LYS 104 -5.655 18.118 32.781 813 HB3 LYS 104 HB3 LYS 104 -5.075 16.769 33.745 814 HG2 LYS 104 HG2 LYS 104 -3.523 18.578 33.929 815 HG3 LYS 104 HG3 LYS 104 -2.770 17.285 33.002 816 HD2 LYS 104 HD2 LYS 104 -2.232 19.370 31.951 817 HD3 LYS 104 HD3 LYS 104 -3.380 18.517 30.922 818 HE2 LYS 104 HE2 LYS 104 -5.203 19.891 31.863 819 HE3 LYS 104 HE3 LYS 104 -4.013 20.771 32.824 820 HZ1 LYS 104 HZ1 LYS 104 -2.911 21.306 30.619 821 HZ2 LYS 104 HZ2 LYS 104 -4.380 22.084 30.949 822 HZ3 LYS 104 HZ3 LYS 104 -4.341 20.769 29.880 823 HA PRO 105 HA PRO 105 -7.644 13.116 32.023 824 HB2 PRO 105 HB2 PRO 105 -7.215 12.938 34.947 825 HB3 PRO 105 HB3 PRO 105 -7.192 11.663 33.725 826 HG2 PRO 105 HG2 PRO 105 -4.933 12.513 34.858 827 HG3 PRO 105 HG3 PRO 105 -4.991 12.078 33.141 828 HD2 PRO 105 HD2 PRO 105 -5.018 14.798 34.406 829 HD3 PRO 105 HD3 PRO 105 -4.137 14.232 32.969 830 H THR 106 H THR 106 -7.439 16.016 33.771 831 HA THR 106 HA THR 106 -10.282 15.887 34.526 832 HB THR 106 HB THR 106 -8.786 16.380 36.402 833 HG1 THR 106 HG1 THR 106 -10.674 18.190 35.482 834 HG21 THR 106 HG21 THR 106 -7.499 18.475 36.470 835 HG22 THR 106 HG22 THR 106 -7.939 18.793 34.792 836 HG23 THR 106 HG23 THR 106 -6.932 17.402 35.191 837 H ASP 107 H ASP 107 -8.692 16.656 31.925 838 HA ASP 107 HA ASP 107 -9.598 19.412 31.577 839 HB2 ASP 107 HB2 ASP 107 -7.255 18.601 30.964 840 HB3 ASP 107 HB3 ASP 107 -8.008 17.757 29.617 841 H VAL 108 H VAL 108 -11.204 19.987 30.190 842 HA VAL 108 HA VAL 108 -12.710 17.748 29.004 843 HB VAL 108 HB VAL 108 -14.727 19.133 29.216 844 HG11 VAL 108 HG11 VAL 108 -13.168 18.768 31.771 845 HG12 VAL 108 HG12 VAL 108 -14.210 17.579 30.990 846 HG13 VAL 108 HG13 VAL 108 -14.907 19.045 31.679 847 HG21 VAL 108 HG21 VAL 108 -14.693 21.204 30.497 848 HG22 VAL 108 HG22 VAL 108 -13.657 21.336 29.077 849 HG23 VAL 108 HG23 VAL 108 -12.942 21.086 30.669 850 H GLU 109 H GLU 109 -10.631 20.010 27.997 851 HA GLU 109 HA GLU 109 -12.031 21.390 25.955 852 HB2 GLU 109 HB2 GLU 109 -9.094 20.700 26.170 853 HB3 GLU 109 HB3 GLU 109 -9.776 21.834 25.012 854 HG2 GLU 109 HG2 GLU 109 -10.018 22.146 27.992 855 HG3 GLU 109 HG3 GLU 109 -8.732 22.868 27.030 856 H VAL 110 H VAL 110 -10.536 18.245 26.098 857 HA VAL 110 HA VAL 110 -10.773 17.801 23.247 858 HB VAL 110 HB VAL 110 -10.045 15.469 23.798 859 HG11 VAL 110 HG11 VAL 110 -7.748 16.095 24.373 860 HG12 VAL 110 HG12 VAL 110 -8.306 17.698 24.851 861 HG13 VAL 110 HG13 VAL 110 -8.436 17.185 23.169 862 HG21 VAL 110 HG21 VAL 110 -9.229 14.997 26.053 863 HG22 VAL 110 HG22 VAL 110 -10.956 15.362 26.069 864 HG23 VAL 110 HG23 VAL 110 -9.793 16.579 26.595 865 H LEU 111 H LEU 111 -12.904 17.791 25.772 866 HA LEU 111 HA LEU 111 -14.473 15.529 24.802 867 HB2 LEU 111 HB2 LEU 111 -14.842 17.310 27.207 868 HB3 LEU 111 HB3 LEU 111 -15.897 15.974 26.789 869 HG LEU 111 HG LEU 111 -12.970 15.739 27.504 870 HD11 LEU 111 HD11 LEU 111 -13.785 14.686 29.554 871 HD12 LEU 111 HD12 LEU 111 -15.447 15.022 29.068 872 HD13 LEU 111 HD13 LEU 111 -14.343 16.353 29.417 873 HD21 LEU 111 HD21 LEU 111 -13.668 14.011 25.934 874 HD22 LEU 111 HD22 LEU 111 -15.045 13.613 26.961 875 HD23 LEU 111 HD23 LEU 111 -13.402 13.327 27.537 876 H ASP 112 H ASP 112 -14.174 18.782 24.225 877 HA ASP 112 HA ASP 112 -17.003 19.252 23.703 878 HB2 ASP 112 HB2 ASP 112 -15.649 21.075 24.676 879 HB3 ASP 112 HB3 ASP 112 -14.611 21.050 23.257 880 H GLU 113 H GLU 113 -17.712 19.968 21.624 881 HA GLU 113 HA GLU 113 -16.904 18.312 19.502 882 HB2 GLU 113 HB2 GLU 113 -18.370 19.840 18.128 883 HB3 GLU 113 HB3 GLU 113 -19.144 19.110 19.528 884 HG2 GLU 113 HG2 GLU 113 -18.904 21.156 20.783 885 HG3 GLU 113 HG3 GLU 113 -18.010 21.897 19.459 886 H GLN 114 H GLN 114 -15.230 18.487 18.175 887 HA GLN 114 HA GLN 114 -13.599 20.848 18.148 888 HB2 GLN 114 HB2 GLN 114 -13.407 18.356 16.439 889 HB3 GLN 114 HB3 GLN 114 -12.165 19.590 16.616 890 HG2 GLN 114 HG2 GLN 114 -13.190 17.754 18.771 891 HG3 GLN 114 HG3 GLN 114 -11.617 17.680 17.979 892 HE21 GLN 114 HE21 GLN 114 -12.412 18.063 20.820 893 HE22 GLN 114 HE22 GLN 114 -11.605 19.505 21.323 894 H LYS 115 H LYS 115 -13.319 22.296 16.442 895 HA LYS 115 HA LYS 115 -15.814 22.617 15.004 896 HB2 LYS 115 HB2 LYS 115 -13.550 24.569 15.412 897 HB3 LYS 115 HB3 LYS 115 -15.114 24.947 14.703 898 HG2 LYS 115 HG2 LYS 115 -14.547 24.138 17.546 899 HG3 LYS 115 HG3 LYS 115 -15.135 25.698 16.963 900 HD2 LYS 115 HD2 LYS 115 -17.186 24.565 16.153 901 HD3 LYS 115 HD3 LYS 115 -16.603 23.062 16.865 902 HE2 LYS 115 HE2 LYS 115 -17.237 25.615 18.342 903 HE3 LYS 115 HE3 LYS 115 -18.223 24.155 18.322 904 HZ1 LYS 115 HZ1 LYS 115 -15.554 24.530 19.558 905 HZ2 LYS 115 HZ2 LYS 115 -16.244 22.997 19.324 906 HZ3 LYS 115 HZ3 LYS 115 -17.013 24.130 20.324 907 H GLY 116 H GLY 116 -14.552 24.518 13.088 908 HA2 GLY 116 HA2 GLY 116 -14.668 22.623 10.960 909 HA3 GLY 116 HA3 GLY 116 -14.463 24.356 10.804 910 H LYS 117 H LYS 117 -12.478 21.842 12.328 911 HA LYS 117 HA LYS 117 -10.095 22.772 11.020 912 HB2 LYS 117 HB2 LYS 117 -10.781 20.455 12.785 913 HB3 LYS 117 HB3 LYS 117 -9.259 20.453 11.902 914 HG2 LYS 117 HG2 LYS 117 -10.111 22.702 13.704 915 HG3 LYS 117 HG3 LYS 117 -9.153 21.324 14.246 916 HD2 LYS 117 HD2 LYS 117 -7.471 21.863 12.509 917 HD3 LYS 117 HD3 LYS 117 -8.410 23.293 12.084 918 HE2 LYS 117 HE2 LYS 117 -8.111 24.138 14.379 919 HE3 LYS 117 HE3 LYS 117 -7.120 22.727 14.752 920 HZ1 LYS 117 HZ1 LYS 117 -5.566 23.428 13.020 921 HZ2 LYS 117 HZ2 LYS 117 -5.747 24.631 14.200 922 HZ3 LYS 117 HZ3 LYS 117 -6.518 24.795 12.699 923 H ASP 118 H ASP 118 -8.897 21.725 9.425 924 HA ASP 118 HA ASP 118 -10.465 20.140 7.544 925 HB2 ASP 118 HB2 ASP 118 -8.919 22.171 6.979 926 HB3 ASP 118 HB3 ASP 118 -7.614 20.995 7.113 927 H LYS 119 H LYS 119 -7.977 18.875 6.445 928 HA LYS 119 HA LYS 119 -7.988 16.463 7.910 929 HB2 LYS 119 HB2 LYS 119 -5.702 17.443 6.195 930 HB3 LYS 119 HB3 LYS 119 -6.129 15.780 6.558 931 HG2 LYS 119 HG2 LYS 119 -7.761 17.674 4.892 932 HG3 LYS 119 HG3 LYS 119 -6.696 16.415 4.275 933 HD2 LYS 119 HD2 LYS 119 -8.095 14.769 5.579 934 HD3 LYS 119 HD3 LYS 119 -9.234 16.091 5.844 935 HE2 LYS 119 HE2 LYS 119 -9.957 14.786 3.949 936 HE3 LYS 119 HE3 LYS 119 -9.422 16.373 3.396 937 HZ1 LYS 119 HZ1 LYS 119 -7.853 13.853 3.264 938 HZ2 LYS 119 HZ2 LYS 119 -7.290 15.375 2.783 939 HZ3 LYS 119 HZ3 LYS 119 -8.577 14.646 1.954 940 H GLN 120 H GLN 120 -7.021 15.998 9.792 941 HA GLN 120 HA GLN 120 -4.681 17.579 10.567 942 HB2 GLN 120 HB2 GLN 120 -5.519 18.078 12.743 943 HB3 GLN 120 HB3 GLN 120 -6.725 18.597 11.577 944 HG2 GLN 120 HG2 GLN 120 -8.049 16.608 12.034 945 HG3 GLN 120 HG3 GLN 120 -6.825 16.045 13.173 946 HE21 GLN 120 HE21 GLN 120 -8.139 16.058 14.968 947 HE22 GLN 120 HE22 GLN 120 -8.775 17.507 15.658 948 H LEU 121 H LEU 121 -3.133 16.521 11.610 949 HA LEU 121 HA LEU 121 -3.591 13.722 12.311 950 HB2 LEU 121 HB2 LEU 121 -1.075 15.383 12.155 951 HB3 LEU 121 HB3 LEU 121 -1.105 13.748 12.785 952 HG LEU 121 HG LEU 121 -1.698 14.624 9.961 953 HD11 LEU 121 HD11 LEU 121 0.667 14.514 10.556 954 HD12 LEU 121 HD12 LEU 121 0.234 13.235 9.422 955 HD13 LEU 121 HD13 LEU 121 0.453 12.862 11.132 956 HD21 LEU 121 HD21 LEU 121 -2.010 12.232 9.478 957 HD22 LEU 121 HD22 LEU 121 -3.244 12.858 10.570 958 HD23 LEU 121 HD23 LEU 121 -1.920 11.884 11.205 959 H THR 122 H THR 122 -4.554 13.566 14.198 960 HA THR 122 HA THR 122 -3.938 15.414 16.353 961 HB THR 122 HB THR 122 -5.831 13.054 16.380 962 HG1 THR 122 HG1 THR 122 -6.027 15.073 14.810 963 HG21 THR 122 HG21 THR 122 -5.228 13.989 18.584 964 HG22 THR 122 HG22 THR 122 -6.924 14.265 18.191 965 HG23 THR 122 HG23 THR 122 -5.759 15.580 18.042 966 H LEU 123 H LEU 123 -1.837 14.870 16.923 967 HA LEU 123 HA LEU 123 -1.191 12.116 17.551 968 HB2 LEU 123 HB2 LEU 123 0.479 14.590 17.997 969 HB3 LEU 123 HB3 LEU 123 1.035 12.935 18.087 970 HG LEU 123 HG LEU 123 0.266 14.493 15.627 971 HD11 LEU 123 HD11 LEU 123 2.525 14.820 16.414 972 HD12 LEU 123 HD12 LEU 123 2.538 13.867 14.931 973 HD13 LEU 123 HD13 LEU 123 2.783 13.077 16.488 974 HD21 LEU 123 HD21 LEU 123 -0.729 12.255 15.467 975 HD22 LEU 123 HD22 LEU 123 0.841 11.535 15.821 976 HD23 LEU 123 HD23 LEU 123 0.609 12.454 14.335 977 H ILE 124 H ILE 124 -2.256 11.441 19.299 978 HA ILE 124 HA ILE 124 -2.474 13.102 21.667 979 HB ILE 124 HB ILE 124 -3.220 10.184 21.379 980 HG12 ILE 124 HG12 ILE 124 -4.978 12.615 20.964 981 HG13 ILE 124 HG13 ILE 124 -4.343 11.605 19.669 982 HG21 ILE 124 HG21 ILE 124 -4.115 12.317 23.314 983 HG22 ILE 124 HG22 ILE 124 -3.055 10.954 23.674 984 HG23 ILE 124 HG23 ILE 124 -4.743 10.668 23.246 985 HD11 ILE 124 HD11 ILE 124 -6.230 10.722 21.842 986 HD12 ILE 124 HD12 ILE 124 -5.581 9.699 20.558 987 HD13 ILE 124 HD13 ILE 124 -6.645 11.048 20.157 988 H THR 125 H THR 125 -0.217 13.371 21.994 989 HA THR 125 HA THR 125 1.405 11.011 22.419 990 HB THR 125 HB THR 125 2.242 13.899 22.669 991 HG1 THR 125 HG1 THR 125 1.541 13.711 20.592 992 HG21 THR 125 HG21 THR 125 3.820 11.382 22.101 993 HG22 THR 125 HG22 THR 125 3.791 12.249 23.636 994 HG23 THR 125 HG23 THR 125 4.476 13.015 22.204 995 H CYS 126 H CYS 126 0.835 10.093 24.320 996 HA CYS 126 HA CYS 126 0.585 11.614 26.731 997 HB2 CYS 126 HB2 CYS 126 1.033 8.635 26.389 998 HB3 CYS 126 HB3 CYS 126 0.446 9.446 27.841 999 H ASP 127 H ASP 127 2.350 12.794 27.148 1000 HA ASP 127 HA ASP 127 4.998 11.564 26.876 1001 HB2 ASP 127 HB2 ASP 127 4.448 13.666 25.610 1002 HB3 ASP 127 HB3 ASP 127 4.295 14.496 27.153 1003 H ASP 128 H ASP 128 2.789 11.938 29.170 1004 HA ASP 128 HA ASP 128 4.728 12.513 31.293 1005 HB2 ASP 128 HB2 ASP 128 2.911 14.127 31.294 1006 HB3 ASP 128 HB3 ASP 128 1.720 12.830 31.298 1007 H TYR 129 H TYR 129 5.505 10.537 31.606 1008 HA TYR 129 HA TYR 129 3.899 8.172 31.678 1009 HB2 TYR 129 HB2 TYR 129 6.072 7.901 30.822 1010 HB3 TYR 129 HB3 TYR 129 6.799 8.815 32.134 1011 HD1 TYR 129 HD1 TYR 129 5.334 5.545 31.208 1012 HD2 TYR 129 HD2 TYR 129 7.487 7.754 34.138 1013 HE1 TYR 129 HE1 TYR 129 5.913 3.449 32.356 1014 HE2 TYR 129 HE2 TYR 129 8.073 5.665 35.292 1015 HH TYR 129 HH TYR 129 7.253 3.375 35.498 1016 H ASN 130 H ASN 130 4.994 10.435 34.021 1017 HA ASN 130 HA ASN 130 5.147 10.487 36.282 1018 HB2 ASN 130 HB2 ASN 130 2.701 10.610 35.988 1019 HB3 ASN 130 HB3 ASN 130 2.603 8.853 36.119 1020 HD21 ASN 130 HD21 ASN 130 1.192 9.217 37.905 1021 HD22 ASN 130 HD22 ASN 130 1.832 9.590 39.468 1022 H GLU 131 H GLU 131 6.936 9.455 36.829 1023 HA GLU 131 HA GLU 131 7.423 6.698 36.603 1024 HB2 GLU 131 HB2 GLU 131 8.788 8.718 38.376 1025 HB3 GLU 131 HB3 GLU 131 9.438 7.155 37.900 1026 HG2 GLU 131 HG2 GLU 131 9.796 7.829 35.708 1027 HG3 GLU 131 HG3 GLU 131 8.671 9.182 35.841 1028 H LYS 132 H LYS 132 5.512 8.264 38.887 1029 HA LYS 132 HA LYS 132 6.106 6.913 41.246 1030 HB2 LYS 132 HB2 LYS 132 3.695 8.293 40.160 1031 HB3 LYS 132 HB3 LYS 132 3.561 7.369 41.641 1032 HG2 LYS 132 HG2 LYS 132 5.488 9.627 41.164 1033 HG3 LYS 132 HG3 LYS 132 3.981 9.734 42.078 1034 HD2 LYS 132 HD2 LYS 132 4.807 8.164 43.713 1035 HD3 LYS 132 HD3 LYS 132 6.266 7.888 42.760 1036 HE2 LYS 132 HE2 LYS 132 6.899 10.238 43.076 1037 HE3 LYS 132 HE3 LYS 132 5.455 10.485 44.058 1038 HZ1 LYS 132 HZ1 LYS 132 7.581 8.520 44.706 1039 HZ2 LYS 132 HZ2 LYS 132 6.277 8.973 45.687 1040 HZ3 LYS 132 HZ3 LYS 132 7.511 10.085 45.351 1041 H THR 133 H THR 133 4.144 5.954 38.491 1042 HA THR 133 HA THR 133 4.278 3.222 39.368 1043 HB THR 133 HB THR 133 2.350 4.122 40.663 1044 HG1 THR 133 HG1 THR 133 2.249 1.958 38.904 1045 HG21 THR 133 HG21 THR 133 1.464 5.700 39.064 1046 HG22 THR 133 HG22 THR 133 0.232 4.497 39.446 1047 HG23 THR 133 HG23 THR 133 1.122 4.399 37.924 1048 H GLY 134 H GLY 134 4.159 5.438 36.891 1049 HA2 GLY 134 HA2 GLY 134 4.361 4.973 34.621 1050 HA3 GLY 134 HA3 GLY 134 3.860 3.319 34.943 1051 H VAL 135 H VAL 135 2.188 6.296 35.827 1052 HA VAL 135 HA VAL 135 -0.043 5.427 34.127 1053 HB VAL 135 HB VAL 135 -0.688 5.492 36.464 1054 HG11 VAL 135 HG11 VAL 135 -0.690 7.561 37.768 1055 HG12 VAL 135 HG12 VAL 135 0.152 8.383 36.455 1056 HG13 VAL 135 HG13 VAL 135 0.945 7.067 37.323 1057 HG21 VAL 135 HG21 VAL 135 -2.600 7.015 36.331 1058 HG22 VAL 135 HG22 VAL 135 -2.373 6.124 34.826 1059 HG23 VAL 135 HG23 VAL 135 -1.865 7.810 34.939 1060 H TRP 136 H TRP 136 -0.300 6.537 32.340 1061 HA TRP 136 HA TRP 136 1.143 8.983 31.917 1062 HB2 TRP 136 HB2 TRP 136 -0.857 7.696 30.054 1063 HB3 TRP 136 HB3 TRP 136 0.427 8.828 29.636 1064 HD1 TRP 136 HD1 TRP 136 -0.103 5.158 30.659 1065 HE1 TRP 136 HE1 TRP 136 1.962 3.802 29.946 1066 HE3 TRP 136 HE3 TRP 136 2.884 8.993 29.084 1067 HZ2 TRP 136 HZ2 TRP 136 4.515 4.288 28.852 1068 HZ3 TRP 136 HZ3 TRP 136 5.125 8.460 28.215 1069 HH2 TRP 136 HH2 TRP 136 5.921 6.157 28.105 1070 H GLU 137 H GLU 137 0.321 10.621 33.069 1071 HA GLU 137 HA GLU 137 -2.548 10.942 33.337 1072 HB2 GLU 137 HB2 GLU 137 -0.394 12.770 34.381 1073 HB3 GLU 137 HB3 GLU 137 -2.048 12.625 34.957 1074 HG2 GLU 137 HG2 GLU 137 -1.503 10.282 35.646 1075 HG3 GLU 137 HG3 GLU 137 0.182 10.634 35.261 1076 H LYS 138 H LYS 138 0.121 13.069 32.354 1077 HA LYS 138 HA LYS 138 -1.815 14.873 31.151 1078 HB2 LYS 138 HB2 LYS 138 1.147 15.132 31.659 1079 HB3 LYS 138 HB3 LYS 138 0.189 16.361 30.842 1080 HG2 LYS 138 HG2 LYS 138 -1.169 16.682 32.800 1081 HG3 LYS 138 HG3 LYS 138 -0.368 15.345 33.620 1082 HD2 LYS 138 HD2 LYS 138 1.125 17.772 32.662 1083 HD3 LYS 138 HD3 LYS 138 0.366 17.698 34.252 1084 HE2 LYS 138 HE2 LYS 138 2.498 15.846 33.192 1085 HE3 LYS 138 HE3 LYS 138 2.722 17.111 34.397 1086 HZ1 LYS 138 HZ1 LYS 138 2.511 15.190 35.653 1087 HZ2 LYS 138 HZ2 LYS 138 1.308 14.532 34.662 1088 HZ3 LYS 138 HZ3 LYS 138 0.935 15.824 35.704 1089 H ARG 139 H ARG 139 -2.343 14.780 29.132 1090 HA ARG 139 HA ARG 139 -0.647 13.304 27.246 1091 HB2 ARG 139 HB2 ARG 139 -3.497 14.243 26.864 1092 HB3 ARG 139 HB3 ARG 139 -2.621 13.079 25.884 1093 HG2 ARG 139 HG2 ARG 139 -2.723 11.433 27.571 1094 HG3 ARG 139 HG3 ARG 139 -3.254 12.607 28.780 1095 HD2 ARG 139 HD2 ARG 139 -5.340 12.933 27.545 1096 HD3 ARG 139 HD3 ARG 139 -4.811 11.762 26.340 1097 HE ARG 139 HE ARG 139 -4.941 10.063 28.091 1098 HH11 ARG 139 HH11 ARG 139 -6.522 13.114 28.744 1099 HH12 ARG 139 HH12 ARG 139 -7.712 12.420 29.791 1100 HH21 ARG 139 HH21 ARG 139 -6.510 9.118 29.437 1101 HH22 ARG 139 HH22 ARG 139 -7.697 10.145 30.202 1102 H LYS 140 H LYS 140 0.679 14.574 26.069 1103 HA LYS 140 HA LYS 140 -0.095 17.329 25.534 1104 HB2 LYS 140 HB2 LYS 140 2.267 16.675 26.193 1105 HB3 LYS 140 HB3 LYS 140 2.409 15.913 24.613 1106 HG2 LYS 140 HG2 LYS 140 1.906 18.100 23.566 1107 HG3 LYS 140 HG3 LYS 140 1.921 18.831 25.172 1108 HD2 LYS 140 HD2 LYS 140 4.247 18.106 25.467 1109 HD3 LYS 140 HD3 LYS 140 4.221 17.393 23.851 1110 HE2 LYS 140 HE2 LYS 140 5.252 19.482 23.570 1111 HE3 LYS 140 HE3 LYS 140 3.594 19.709 23.015 1112 HZ1 LYS 140 HZ1 LYS 140 4.636 20.486 25.687 1113 HZ2 LYS 140 HZ2 LYS 140 3.049 20.733 25.133 1114 HZ3 LYS 140 HZ3 LYS 140 4.343 21.545 24.397 1115 H ILE 141 H ILE 141 -1.329 17.728 23.829 1116 HA ILE 141 HA ILE 141 -1.450 15.666 21.746 1117 HB ILE 141 HB ILE 141 -3.552 16.000 22.934 1118 HG12 ILE 141 HG12 ILE 141 -3.658 17.088 20.112 1119 HG13 ILE 141 HG13 ILE 141 -3.614 15.384 20.552 1120 HG21 ILE 141 HG21 ILE 141 -4.797 18.118 22.717 1121 HG22 ILE 141 HG22 ILE 141 -3.368 18.848 21.979 1122 HG23 ILE 141 HG23 ILE 141 -3.308 18.286 23.649 1123 HD11 ILE 141 HD11 ILE 141 -5.767 15.593 21.652 1124 HD12 ILE 141 HD12 ILE 141 -5.864 16.124 19.971 1125 HD13 ILE 141 HD13 ILE 141 -5.805 17.315 21.272 1126 H PHE 142 H PHE 142 -0.816 16.089 19.802 1127 HA PHE 142 HA PHE 142 -0.249 18.877 19.051 1128 HB2 PHE 142 HB2 PHE 142 0.887 16.304 17.918 1129 HB3 PHE 142 HB3 PHE 142 1.299 17.922 17.376 1130 HD1 PHE 142 HD1 PHE 142 1.678 15.468 20.069 1131 HD2 PHE 142 HD2 PHE 142 2.796 19.307 18.623 1132 HE1 PHE 142 HE1 PHE 142 3.525 15.533 21.690 1133 HE2 PHE 142 HE2 PHE 142 4.647 19.386 20.240 1134 HZ PHE 142 HZ PHE 142 5.015 17.494 21.777 1135 H VAL 143 H VAL 143 -1.858 19.686 17.826 1136 HA VAL 143 HA VAL 143 -3.214 17.879 15.947 1137 HB VAL 143 HB VAL 143 -3.995 20.690 16.707 1138 HG11 VAL 143 HG11 VAL 143 -6.148 20.117 15.668 1139 HG12 VAL 143 HG12 VAL 143 -5.485 18.554 15.192 1140 HG13 VAL 143 HG13 VAL 143 -4.813 20.039 14.518 1141 HG21 VAL 143 HG21 VAL 143 -4.150 19.217 18.636 1142 HG22 VAL 143 HG22 VAL 143 -5.109 18.072 17.696 1143 HG23 VAL 143 HG23 VAL 143 -5.757 19.671 18.064 1144 H ALA 144 H ALA 144 -1.861 17.755 14.267 1145 HA ALA 144 HA ALA 144 -0.819 20.204 13.073 1146 HB1 ALA 144 HB1 ALA 144 0.728 18.340 13.355 1147 HB2 ALA 144 HB2 ALA 144 0.492 18.706 11.645 1148 HB3 ALA 144 HB3 ALA 144 -0.315 17.315 12.370 1149 H THR 145 H THR 145 -2.066 21.208 11.658 1150 HA THR 145 HA THR 145 -4.176 19.753 10.278 1151 HB THR 145 HB THR 145 -3.593 22.714 10.098 1152 HG1 THR 145 HG1 THR 145 -4.543 21.197 12.192 1153 HG21 THR 145 HG21 THR 145 -6.158 21.142 9.774 1154 HG22 THR 145 HG22 THR 145 -5.178 21.771 8.448 1155 HG23 THR 145 HG23 THR 145 -5.965 22.883 9.570 1156 H GLU 146 H GLU 146 -4.326 19.506 8.096 1157 HA GLU 146 HA GLU 146 -1.950 19.120 6.673 1158 HB2 GLU 146 HB2 GLU 146 -4.023 17.866 6.279 1159 HB3 GLU 146 HB3 GLU 146 -4.790 19.315 5.649 1160 HG2 GLU 146 HG2 GLU 146 -3.744 19.171 3.658 1161 HG3 GLU 146 HG3 GLU 146 -2.280 18.463 4.344 1162 H VAL 147 H VAL 147 -0.660 20.532 5.807 1163 HA VAL 147 HA VAL 147 -1.744 23.089 4.853 1164 HB VAL 147 HB VAL 147 -0.430 23.483 6.828 1165 HG11 VAL 147 HG11 VAL 147 0.867 21.433 6.835 1166 HG12 VAL 147 HG12 VAL 147 1.921 22.839 6.994 1167 HG13 VAL 147 HG13 VAL 147 1.791 22.000 5.446 1168 HG21 VAL 147 HG21 VAL 147 1.241 25.014 5.994 1169 HG22 VAL 147 HG22 VAL 147 -0.200 25.093 4.973 1170 HG23 VAL 147 HG23 VAL 147 1.227 24.212 4.423 1171 H LYS 148 H LYS 148 -1.446 23.522 2.788 1172 HA LYS 148 HA LYS 148 -0.163 21.598 1.105 1173 HB2 LYS 148 HB2 LYS 148 -0.927 23.104 -0.738 1174 HB3 LYS 148 HB3 LYS 148 -2.206 22.527 0.318 1175 HG2 LYS 148 HG2 LYS 148 -2.126 24.689 1.520 1176 HG3 LYS 148 HG3 LYS 148 -0.943 25.256 0.342 1177 HD2 LYS 148 HD2 LYS 148 -3.765 24.364 -0.246 1178 HD3 LYS 148 HD3 LYS 148 -3.169 26.024 -0.267 1179 HE2 LYS 148 HE2 LYS 148 -1.692 25.503 -2.115 1180 HE3 LYS 148 HE3 LYS 148 -2.168 23.807 -2.049 1181 HZ1 LYS 148 HZ1 LYS 148 -3.985 26.077 -2.680 1182 HZ2 LYS 148 HZ2 LYS 148 -4.414 24.437 -2.660 1183 HZ3 LYS 148 HZ3 LYS 148 -3.314 25.015 -3.818 1184 H1 JPT 201 H7 UNK 201 -1.526 7.967 28.104 1185 H11 JPT 201 H11 UNK 201 -1.150 5.409 28.353 1186 H12 JPT 201 H12 UNK 201 0.253 4.927 23.958 1187 H13 JPT 201 H13 UNK 201 -0.814 7.256 24.445 1188 H62 JPT 201 H62 UNK 201 -5.814 6.977 23.876 1189 H61 JPT 201 H61 UNK 201 -4.518 5.783 24.090 1190 H3 JPT 201 H3 UNK 201 -5.941 4.599 25.532 1191 H4 JPT 201 H4 UNK 201 -2.599 8.771 29.031 1192 H2 JPT 201 H2 UNK 201 -6.863 6.720 26.736 Start of MODEL 19 1 HA MET 1 HA MET 1 -4.622 -0.741 -1.463 2 HB2 MET 1 HB2 MET 1 -6.248 -0.469 -3.283 3 HB3 MET 1 HB3 MET 1 -6.713 -1.782 -2.214 4 HG2 MET 1 HG2 MET 1 -8.378 -0.407 -1.159 5 HG3 MET 1 HG3 MET 1 -7.858 0.996 -2.089 6 HE1 MET 1 HE1 MET 1 -8.180 1.246 -4.703 7 HE2 MET 1 HE2 MET 1 -8.918 0.012 -5.725 8 HE3 MET 1 HE3 MET 1 -7.350 -0.287 -4.976 9 H GLN 2 H GLN 2 -4.632 1.032 -3.238 10 HA GLN 2 HA GLN 2 -4.476 3.617 -2.022 11 HB2 GLN 2 HB2 GLN 2 -4.229 2.725 -4.904 12 HB3 GLN 2 HB3 GLN 2 -4.007 4.387 -4.378 13 HG2 GLN 2 HG2 GLN 2 -1.844 3.680 -4.429 14 HG3 GLN 2 HG3 GLN 2 -2.251 3.312 -2.756 15 HE21 GLN 2 HE21 GLN 2 -0.197 2.150 -4.424 16 HE22 GLN 2 HE22 GLN 2 -0.518 0.455 -4.485 17 H ALA 3 H ALA 3 -5.539 5.393 -3.764 18 HA ALA 3 HA ALA 3 -7.446 6.597 -3.985 19 HB1 ALA 3 HB1 ALA 3 -9.441 5.494 -4.845 20 HB2 ALA 3 HB2 ALA 3 -8.756 3.918 -4.454 21 HB3 ALA 3 HB3 ALA 3 -8.002 4.925 -5.692 22 H LYS 4 H LYS 4 -8.108 7.581 -2.220 23 HA LYS 4 HA LYS 4 -8.574 7.988 -0.062 24 HB2 LYS 4 HB2 LYS 4 -10.332 5.660 -0.632 25 HB3 LYS 4 HB3 LYS 4 -10.330 6.416 0.951 26 HG2 LYS 4 HG2 LYS 4 -10.816 8.586 -0.334 27 HG3 LYS 4 HG3 LYS 4 -11.225 7.521 -1.683 28 HD2 LYS 4 HD2 LYS 4 -12.505 7.621 1.043 29 HD3 LYS 4 HD3 LYS 4 -13.250 7.994 -0.512 30 HE2 LYS 4 HE2 LYS 4 -13.086 5.676 -1.187 31 HE3 LYS 4 HE3 LYS 4 -12.217 5.275 0.293 32 HZ1 LYS 4 HZ1 LYS 4 -14.210 5.952 1.552 33 HZ2 LYS 4 HZ2 LYS 4 -14.503 4.641 0.521 34 HZ3 LYS 4 HZ3 LYS 4 -15.036 6.194 0.089 35 HA PRO 5 HA PRO 5 -5.264 5.311 1.568 36 HB2 PRO 5 HB2 PRO 5 -4.783 7.091 3.641 37 HB3 PRO 5 HB3 PRO 5 -3.965 7.111 2.074 38 HG2 PRO 5 HG2 PRO 5 -6.282 8.728 3.030 39 HG3 PRO 5 HG3 PRO 5 -4.906 9.227 2.030 40 HD2 PRO 5 HD2 PRO 5 -7.303 8.767 0.945 41 HD3 PRO 5 HD3 PRO 5 -5.815 8.288 0.101 42 H GLN 6 H GLN 6 -5.664 3.695 2.903 43 HA GLN 6 HA GLN 6 -7.618 4.007 5.049 44 HB2 GLN 6 HB2 GLN 6 -8.773 1.916 4.204 45 HB3 GLN 6 HB3 GLN 6 -9.025 3.375 3.253 46 HG2 GLN 6 HG2 GLN 6 -7.151 2.575 1.762 47 HG3 GLN 6 HG3 GLN 6 -7.249 1.037 2.618 48 HE21 GLN 6 HE21 GLN 6 -8.853 3.231 0.454 49 HE22 GLN 6 HE22 GLN 6 -10.047 2.111 -0.113 50 H ILE 7 H ILE 7 -7.474 2.541 6.690 51 HA ILE 7 HA ILE 7 -4.976 1.146 6.976 52 HB ILE 7 HB ILE 7 -7.379 1.460 8.774 53 HG12 ILE 7 HG12 ILE 7 -5.615 2.557 10.241 54 HG13 ILE 7 HG13 ILE 7 -4.543 2.486 8.849 55 HG21 ILE 7 HG21 ILE 7 -6.526 -0.759 9.193 56 HG22 ILE 7 HG22 ILE 7 -6.118 0.310 10.537 57 HG23 ILE 7 HG23 ILE 7 -4.888 -0.124 9.351 58 HD11 ILE 7 HD11 ILE 7 -5.530 4.671 9.039 59 HD12 ILE 7 HD12 ILE 7 -7.150 3.973 9.024 60 HD13 ILE 7 HD13 ILE 7 -6.131 3.866 7.588 61 HA PRO 8 HA PRO 8 -6.480 -2.721 5.314 62 HB2 PRO 8 HB2 PRO 8 -4.372 -4.259 6.047 63 HB3 PRO 8 HB3 PRO 8 -4.308 -3.133 4.686 64 HG2 PRO 8 HG2 PRO 8 -3.299 -2.788 7.481 65 HG3 PRO 8 HG3 PRO 8 -2.521 -2.351 5.948 66 HD2 PRO 8 HD2 PRO 8 -3.792 -0.533 7.503 67 HD3 PRO 8 HD3 PRO 8 -3.749 -0.408 5.733 68 H LYS 9 H LYS 9 -7.065 -4.838 6.034 69 HA LYS 9 HA LYS 9 -8.128 -4.896 8.661 70 HB2 LYS 9 HB2 LYS 9 -8.881 -7.166 8.132 71 HB3 LYS 9 HB3 LYS 9 -9.279 -6.037 6.845 72 HG2 LYS 9 HG2 LYS 9 -6.792 -7.690 6.720 73 HG3 LYS 9 HG3 LYS 9 -8.351 -8.354 6.229 74 HD2 LYS 9 HD2 LYS 9 -8.566 -6.841 4.464 75 HD3 LYS 9 HD3 LYS 9 -7.356 -5.743 5.139 76 HE2 LYS 9 HE2 LYS 9 -5.623 -7.396 4.721 77 HE3 LYS 9 HE3 LYS 9 -6.821 -8.497 4.047 78 HZ1 LYS 9 HZ1 LYS 9 -5.582 -7.282 2.335 79 HZ2 LYS 9 HZ2 LYS 9 -6.174 -5.815 2.947 80 HZ3 LYS 9 HZ3 LYS 9 -7.243 -6.944 2.274 81 H ASP 10 H ASP 10 -5.096 -5.676 7.395 82 HA ASP 10 HA ASP 10 -4.399 -7.599 9.450 83 HB2 ASP 10 HB2 ASP 10 -3.474 -7.562 7.055 84 HB3 ASP 10 HB3 ASP 10 -2.498 -6.192 7.574 85 H LYS 11 H LYS 11 -3.710 -7.051 11.410 86 HA LYS 11 HA LYS 11 -3.243 -4.213 11.967 87 HB2 LYS 11 HB2 LYS 11 -3.669 -6.530 13.865 88 HB3 LYS 11 HB3 LYS 11 -3.597 -4.832 14.313 89 HG2 LYS 11 HG2 LYS 11 -5.648 -5.945 12.420 90 HG3 LYS 11 HG3 LYS 11 -5.894 -5.832 14.162 91 HD2 LYS 11 HD2 LYS 11 -5.771 -3.469 14.125 92 HD3 LYS 11 HD3 LYS 11 -5.147 -3.458 12.470 93 HE2 LYS 11 HE2 LYS 11 -7.900 -4.347 13.325 94 HE3 LYS 11 HE3 LYS 11 -7.503 -2.810 12.558 95 HZ1 LYS 11 HZ1 LYS 11 -8.371 -4.422 10.970 96 HZ2 LYS 11 HZ2 LYS 11 -7.108 -5.492 11.341 97 HZ3 LYS 11 HZ3 LYS 11 -6.769 -4.006 10.603 98 H SER 12 H SER 12 -1.244 -6.307 10.850 99 HA SER 12 HA SER 12 0.890 -5.653 12.769 100 HB2 SER 12 HB2 SER 12 0.242 -8.067 12.868 101 HB3 SER 12 HB3 SER 12 0.680 -8.219 11.167 102 HG SER 12 HG SER 12 2.813 -7.510 11.795 103 H LYS 13 H LYS 13 -0.047 -4.315 10.293 104 HA LYS 13 HA LYS 13 2.418 -4.577 8.694 105 HB2 LYS 13 HB2 LYS 13 -0.335 -3.746 7.792 106 HB3 LYS 13 HB3 LYS 13 1.105 -3.657 6.793 107 HG2 LYS 13 HG2 LYS 13 1.353 -6.134 7.144 108 HG3 LYS 13 HG3 LYS 13 -0.263 -6.101 7.855 109 HD2 LYS 13 HD2 LYS 13 -1.113 -5.078 5.769 110 HD3 LYS 13 HD3 LYS 13 0.501 -5.241 5.070 111 HE2 LYS 13 HE2 LYS 13 -1.317 -7.460 5.993 112 HE3 LYS 13 HE3 LYS 13 -0.866 -7.081 4.332 113 HZ1 LYS 13 HZ1 LYS 13 1.410 -7.671 4.833 114 HZ2 LYS 13 HZ2 LYS 13 0.384 -8.959 5.225 115 HZ3 LYS 13 HZ3 LYS 13 1.014 -7.979 6.455 116 H VAL 14 H VAL 14 2.794 -2.559 7.348 117 HA VAL 14 HA VAL 14 2.425 -0.155 9.016 118 HB VAL 14 HB VAL 14 4.454 -0.628 6.822 119 HG11 VAL 14 HG11 VAL 14 4.162 1.623 8.803 120 HG12 VAL 14 HG12 VAL 14 3.871 1.708 7.065 121 HG13 VAL 14 HG13 VAL 14 5.500 1.422 7.674 122 HG21 VAL 14 HG21 VAL 14 4.943 -2.052 8.723 123 HG22 VAL 14 HG22 VAL 14 4.810 -0.674 9.817 124 HG23 VAL 14 HG23 VAL 14 6.116 -0.737 8.632 125 H ALA 15 H ALA 15 0.751 1.031 8.302 126 HA ALA 15 HA ALA 15 0.001 0.940 5.485 127 HB1 ALA 15 HB1 ALA 15 -1.343 2.307 7.811 128 HB2 ALA 15 HB2 ALA 15 -1.769 0.729 7.145 129 HB3 ALA 15 HB3 ALA 15 -1.986 2.185 6.173 130 H GLY 16 H GLY 16 1.683 2.966 7.683 131 HA2 GLY 16 HA2 GLY 16 2.352 4.804 5.581 132 HA3 GLY 16 HA3 GLY 16 1.321 5.516 6.815 133 H TYR 17 H TYR 17 3.928 6.399 6.243 134 HA TYR 17 HA TYR 17 5.380 5.557 8.671 135 HB2 TYR 17 HB2 TYR 17 6.531 6.807 6.166 136 HB3 TYR 17 HB3 TYR 17 7.441 6.257 7.566 137 HD1 TYR 17 HD1 TYR 17 8.056 3.981 7.812 138 HD2 TYR 17 HD2 TYR 17 5.404 5.128 4.692 139 HE1 TYR 17 HE1 TYR 17 8.313 1.765 6.786 140 HE2 TYR 17 HE2 TYR 17 5.652 2.915 3.655 141 HH TYR 17 HH TYR 17 7.337 0.309 5.271 142 H ILE 18 H ILE 18 5.909 7.096 10.138 143 HA ILE 18 HA ILE 18 4.976 9.808 9.533 144 HB ILE 18 HB ILE 18 3.919 8.810 11.495 145 HG12 ILE 18 HG12 ILE 18 4.472 10.589 13.155 146 HG13 ILE 18 HG13 ILE 18 5.838 11.053 12.147 147 HG21 ILE 18 HG21 ILE 18 6.686 8.632 12.665 148 HG22 ILE 18 HG22 ILE 18 5.667 7.276 12.181 149 HG23 ILE 18 HG23 ILE 18 5.179 8.310 13.524 150 HD11 ILE 18 HD11 ILE 18 2.945 11.118 11.319 151 HD12 ILE 18 HD12 ILE 18 4.320 11.613 10.333 152 HD13 ILE 18 HD13 ILE 18 3.917 12.511 11.797 153 H GLU 19 H GLU 19 6.396 11.310 9.141 154 HA GLU 19 HA GLU 19 9.155 10.951 10.085 155 HB2 GLU 19 HB2 GLU 19 8.367 12.245 7.477 156 HB3 GLU 19 HB3 GLU 19 9.982 11.798 8.006 157 HG2 GLU 19 HG2 GLU 19 9.431 9.452 7.828 158 HG3 GLU 19 HG3 GLU 19 7.765 9.848 7.409 159 H ILE 20 H ILE 20 9.729 12.493 11.420 160 HA ILE 20 HA ILE 20 8.808 15.241 10.928 161 HB ILE 20 HB ILE 20 8.952 14.004 13.688 162 HG12 ILE 20 HG12 ILE 20 6.488 14.822 12.137 163 HG13 ILE 20 HG13 ILE 20 7.047 13.160 12.286 164 HG21 ILE 20 HG21 ILE 20 9.471 16.378 13.658 165 HG22 ILE 20 HG22 ILE 20 7.894 16.108 14.402 166 HG23 ILE 20 HG23 ILE 20 7.997 16.707 12.746 167 HD11 ILE 20 HD11 ILE 20 6.736 13.260 14.690 168 HD12 ILE 20 HD12 ILE 20 5.242 13.654 13.838 169 HD13 ILE 20 HD13 ILE 20 6.210 14.940 14.562 170 HA PRO 21 HA PRO 21 13.360 15.172 10.860 171 HB2 PRO 21 HB2 PRO 21 13.420 17.894 10.180 172 HB3 PRO 21 HB3 PRO 21 13.494 16.533 9.061 173 HG2 PRO 21 HG2 PRO 21 11.187 18.245 9.808 174 HG3 PRO 21 HG3 PRO 21 11.547 17.445 8.270 175 HD2 PRO 21 HD2 PRO 21 9.655 16.535 9.961 176 HD3 PRO 21 HD3 PRO 21 10.629 15.442 8.956 177 H ASP 22 H ASP 22 11.323 17.617 12.396 178 HA ASP 22 HA ASP 22 13.346 18.792 13.975 179 HB2 ASP 22 HB2 ASP 22 10.345 18.756 14.227 180 HB3 ASP 22 HB3 ASP 22 11.372 19.597 15.383 181 H ALA 23 H ALA 23 11.420 15.926 14.408 182 HA ALA 23 HA ALA 23 12.218 15.801 17.234 183 HB1 ALA 23 HB1 ALA 23 9.810 15.735 16.804 184 HB2 ALA 23 HB2 ALA 23 10.388 14.237 17.531 185 HB3 ALA 23 HB3 ALA 23 10.030 14.298 15.805 186 H ASP 24 H ASP 24 13.316 14.827 14.376 187 HA ASP 24 HA ASP 24 14.727 13.225 13.620 188 HB2 ASP 24 HB2 ASP 24 15.833 13.652 15.830 189 HB3 ASP 24 HB3 ASP 24 14.895 12.327 16.507 190 H ILE 25 H ILE 25 11.849 12.819 13.867 191 HA ILE 25 HA ILE 25 11.539 9.972 14.399 192 HB ILE 25 HB ILE 25 9.539 12.142 13.757 193 HG12 ILE 25 HG12 ILE 25 10.030 10.525 16.271 194 HG13 ILE 25 HG13 ILE 25 10.535 12.191 16.013 195 HG21 ILE 25 HG21 ILE 25 9.037 9.219 14.321 196 HG22 ILE 25 HG22 ILE 25 8.755 10.054 12.794 197 HG23 ILE 25 HG23 ILE 25 7.794 10.465 14.213 198 HD11 ILE 25 HD11 ILE 25 7.695 11.200 16.094 199 HD12 ILE 25 HD12 ILE 25 8.197 12.868 15.827 200 HD13 ILE 25 HD13 ILE 25 8.529 12.085 17.371 201 H LYS 26 H LYS 26 11.587 8.493 12.867 202 HA LYS 26 HA LYS 26 10.679 9.040 10.160 203 HB2 LYS 26 HB2 LYS 26 13.507 8.813 10.907 204 HB3 LYS 26 HB3 LYS 26 13.034 7.652 9.676 205 HG2 LYS 26 HG2 LYS 26 12.542 10.613 9.472 206 HG3 LYS 26 HG3 LYS 26 13.944 9.783 8.788 207 HD2 LYS 26 HD2 LYS 26 11.069 9.145 8.131 208 HD3 LYS 26 HD3 LYS 26 12.129 10.150 7.141 209 HE2 LYS 26 HE2 LYS 26 13.611 8.295 6.754 210 HE3 LYS 26 HE3 LYS 26 12.706 7.284 7.879 211 HZ1 LYS 26 HZ1 LYS 26 11.147 8.418 5.711 212 HZ2 LYS 26 HZ2 LYS 26 11.143 6.843 6.349 213 HZ3 LYS 26 HZ3 LYS 26 12.328 7.300 5.230 214 H GLU 27 H GLU 27 9.209 7.547 11.638 215 HA GLU 27 HA GLU 27 10.206 4.768 11.550 216 HB2 GLU 27 HB2 GLU 27 8.539 6.057 13.718 217 HB3 GLU 27 HB3 GLU 27 9.095 4.390 13.697 218 HG2 GLU 27 HG2 GLU 27 11.025 6.674 13.607 219 HG3 GLU 27 HG3 GLU 27 10.367 6.084 15.131 220 HA PRO 28 HA PRO 28 6.331 3.752 9.637 221 HB2 PRO 28 HB2 PRO 28 6.213 1.114 10.120 222 HB3 PRO 28 HB3 PRO 28 7.431 1.808 9.045 223 HG2 PRO 28 HG2 PRO 28 7.696 0.919 11.887 224 HG3 PRO 28 HG3 PRO 28 8.819 0.695 10.532 225 HD2 PRO 28 HD2 PRO 28 9.076 2.645 12.456 226 HD3 PRO 28 HD3 PRO 28 9.759 2.756 10.823 227 H VAL 29 H VAL 29 4.230 3.901 10.196 228 HA VAL 29 HA VAL 29 3.509 3.625 13.010 229 HB VAL 29 HB VAL 29 1.825 4.592 10.688 230 HG11 VAL 29 HG11 VAL 29 0.467 3.772 12.535 231 HG12 VAL 29 HG12 VAL 29 0.362 5.530 12.427 232 HG13 VAL 29 HG13 VAL 29 1.370 4.780 13.666 233 HG21 VAL 29 HG21 VAL 29 3.732 6.051 11.041 234 HG22 VAL 29 HG22 VAL 29 3.358 6.153 12.762 235 HG23 VAL 29 HG23 VAL 29 2.249 6.843 11.577 236 H TYR 30 H TYR 30 2.230 2.037 13.816 237 HA TYR 30 HA TYR 30 1.368 -0.050 11.944 238 HB2 TYR 30 HB2 TYR 30 1.747 -0.158 14.944 239 HB3 TYR 30 HB3 TYR 30 1.212 -1.506 13.943 240 HD1 TYR 30 HD1 TYR 30 2.862 -1.820 11.787 241 HD2 TYR 30 HD2 TYR 30 3.955 -0.242 15.582 242 HE1 TYR 30 HE1 TYR 30 5.200 -2.443 11.359 243 HE2 TYR 30 HE2 TYR 30 6.298 -0.859 15.172 244 HH TYR 30 HH TYR 30 7.564 -2.476 13.784 245 HA PRO 31 HA PRO 31 -2.591 1.951 12.660 246 HB2 PRO 31 HB2 PRO 31 -3.866 0.772 10.601 247 HB3 PRO 31 HB3 PRO 31 -2.716 2.091 10.357 248 HG2 PRO 31 HG2 PRO 31 -2.286 -0.863 10.083 249 HG3 PRO 31 HG3 PRO 31 -1.789 0.444 8.991 250 HD2 PRO 31 HD2 PRO 31 -0.091 -0.686 10.761 251 HD3 PRO 31 HD3 PRO 31 0.015 1.026 10.304 252 H GLY 32 H GLY 32 -4.382 1.313 13.790 253 HA2 GLY 32 HA2 GLY 32 -5.501 -1.251 13.726 254 HA3 GLY 32 HA3 GLY 32 -4.349 -1.196 15.049 255 HA PRO 33 HA PRO 33 -8.323 0.536 16.587 256 HB2 PRO 33 HB2 PRO 33 -9.055 -1.623 18.100 257 HB3 PRO 33 HB3 PRO 33 -9.481 -1.383 16.412 258 HG2 PRO 33 HG2 PRO 33 -7.728 -3.372 17.542 259 HG3 PRO 33 HG3 PRO 33 -8.263 -3.205 15.864 260 HD2 PRO 33 HD2 PRO 33 -5.751 -2.349 17.116 261 HD3 PRO 33 HD3 PRO 33 -6.130 -2.619 15.403 262 H ALA 34 H ALA 34 -5.623 0.788 17.581 263 HA ALA 34 HA ALA 34 -4.454 1.478 19.405 264 HB1 ALA 34 HB1 ALA 34 -6.347 3.006 19.673 265 HB2 ALA 34 HB2 ALA 34 -5.676 2.523 21.232 266 HB3 ALA 34 HB3 ALA 34 -7.179 1.800 20.656 267 H THR 35 H THR 35 -5.146 -1.360 19.085 268 HA THR 35 HA THR 35 -5.673 -2.572 21.560 269 HB THR 35 HB THR 35 -5.943 -3.906 19.617 270 HG1 THR 35 HG1 THR 35 -4.873 -5.721 20.246 271 HG21 THR 35 HG21 THR 35 -4.152 -4.470 18.074 272 HG22 THR 35 HG22 THR 35 -3.017 -3.492 19.008 273 HG23 THR 35 HG23 THR 35 -4.360 -2.720 18.163 274 HA PRO 36 HA PRO 36 -2.236 -1.517 24.046 275 HB2 PRO 36 HB2 PRO 36 -2.151 -4.004 25.391 276 HB3 PRO 36 HB3 PRO 36 -2.995 -2.541 25.905 277 HG2 PRO 36 HG2 PRO 36 -4.037 -4.939 24.495 278 HG3 PRO 36 HG3 PRO 36 -4.851 -3.863 25.647 279 HD2 PRO 36 HD2 PRO 36 -5.398 -3.765 23.030 280 HD3 PRO 36 HD3 PRO 36 -5.344 -2.287 24.013 281 H GLU 37 H GLU 37 -2.164 -4.810 22.686 282 HA GLU 37 HA GLU 37 0.569 -5.291 23.151 283 HB2 GLU 37 HB2 GLU 37 -1.021 -6.409 20.843 284 HB3 GLU 37 HB3 GLU 37 0.349 -7.142 21.662 285 HG2 GLU 37 HG2 GLU 37 -0.980 -7.490 23.649 286 HG3 GLU 37 HG3 GLU 37 -2.350 -6.664 22.903 287 H GLN 38 H GLN 38 -1.126 -4.127 20.260 288 HA GLN 38 HA GLN 38 1.252 -3.882 18.717 289 HB2 GLN 38 HB2 GLN 38 -1.597 -3.060 18.341 290 HB3 GLN 38 HB3 GLN 38 -0.367 -2.399 17.276 291 HG2 GLN 38 HG2 GLN 38 -1.527 -4.403 16.383 292 HG3 GLN 38 HG3 GLN 38 0.223 -4.560 16.477 293 HE21 GLN 38 HE21 GLN 38 -2.824 -5.613 17.770 294 HE22 GLN 38 HE22 GLN 38 -2.220 -6.990 18.622 295 H LEU 39 H LEU 39 -0.440 -1.800 20.918 296 HA LEU 39 HA LEU 39 0.915 0.602 20.137 297 HB2 LEU 39 HB2 LEU 39 -0.985 -0.208 22.226 298 HB3 LEU 39 HB3 LEU 39 0.139 1.044 22.719 299 HG LEU 39 HG LEU 39 -1.681 1.204 20.312 300 HD11 LEU 39 HD11 LEU 39 -2.945 1.289 22.391 301 HD12 LEU 39 HD12 LEU 39 -2.898 2.878 21.627 302 HD13 LEU 39 HD13 LEU 39 -1.864 2.536 23.012 303 HD21 LEU 39 HD21 LEU 39 0.387 2.461 20.024 304 HD22 LEU 39 HD22 LEU 39 0.138 3.249 21.583 305 HD23 LEU 39 HD23 LEU 39 -0.980 3.551 20.252 306 H ASN 40 H ASN 40 1.848 -2.163 21.775 307 HA ASN 40 HA ASN 40 3.995 -0.798 23.216 308 HB2 ASN 40 HB2 ASN 40 2.880 -3.588 23.308 309 HB3 ASN 40 HB3 ASN 40 4.441 -3.215 24.028 310 HD21 ASN 40 HD21 ASN 40 2.080 -4.140 25.359 311 HD22 ASN 40 HD22 ASN 40 1.634 -2.917 26.498 312 H ARG 41 H ARG 41 3.391 -2.095 20.248 313 HA ARG 41 HA ARG 41 6.174 -2.916 19.764 314 HB2 ARG 41 HB2 ARG 41 3.830 -3.089 17.858 315 HB3 ARG 41 HB3 ARG 41 5.380 -3.913 17.723 316 HG2 ARG 41 HG2 ARG 41 4.886 -5.328 19.537 317 HG3 ARG 41 HG3 ARG 41 3.476 -4.368 19.980 318 HD2 ARG 41 HD2 ARG 41 2.700 -6.353 18.895 319 HD3 ARG 41 HD3 ARG 41 2.442 -4.992 17.808 320 HE ARG 41 HE ARG 41 4.910 -6.137 17.171 321 HH11 ARG 41 HH11 ARG 41 1.508 -6.964 17.093 322 HH12 ARG 41 HH12 ARG 41 1.670 -8.081 15.770 323 HH21 ARG 41 HH21 ARG 41 5.143 -7.600 15.432 324 HH22 ARG 41 HH22 ARG 41 3.743 -8.446 14.826 325 H GLY 42 H GLY 42 3.721 -0.604 19.040 326 HA2 GLY 42 HA2 GLY 42 5.591 1.355 18.206 327 HA3 GLY 42 HA3 GLY 42 4.679 0.710 16.846 328 H VAL 43 H VAL 43 4.028 3.142 16.900 329 HA VAL 43 HA VAL 43 1.893 3.631 18.820 330 HB VAL 43 HB VAL 43 1.676 5.842 17.821 331 HG11 VAL 43 HG11 VAL 43 3.313 5.553 19.575 332 HG12 VAL 43 HG12 VAL 43 3.898 6.725 18.394 333 HG13 VAL 43 HG13 VAL 43 4.534 5.081 18.394 334 HG21 VAL 43 HG21 VAL 43 3.184 6.589 16.040 335 HG22 VAL 43 HG22 VAL 43 2.135 5.276 15.501 336 HG23 VAL 43 HG23 VAL 43 3.822 4.950 15.900 337 H SER 44 H SER 44 -0.265 4.075 18.158 338 HA SER 44 HA SER 44 -0.987 3.020 15.530 339 HB2 SER 44 HB2 SER 44 -1.045 1.246 17.433 340 HB3 SER 44 HB3 SER 44 -2.479 2.112 17.983 341 HG SER 44 HG SER 44 -2.066 0.868 15.463 342 H PHE 45 H PHE 45 -3.559 3.170 15.455 343 HA PHE 45 HA PHE 45 -4.084 5.995 15.784 344 HB2 PHE 45 HB2 PHE 45 -5.597 3.766 14.425 345 HB3 PHE 45 HB3 PHE 45 -6.194 5.419 14.516 346 HD1 PHE 45 HD1 PHE 45 -4.511 3.167 12.502 347 HD2 PHE 45 HD2 PHE 45 -4.353 7.219 13.782 348 HE1 PHE 45 HE1 PHE 45 -3.216 3.745 10.492 349 HE2 PHE 45 HE2 PHE 45 -3.054 7.807 11.782 350 HZ PHE 45 HZ PHE 45 -2.486 6.077 10.134 351 H ALA 46 H ALA 46 -6.469 6.540 16.397 352 HA ALA 46 HA ALA 46 -6.739 5.857 19.140 353 HB1 ALA 46 HB1 ALA 46 -8.737 7.250 19.098 354 HB2 ALA 46 HB2 ALA 46 -8.696 7.274 17.335 355 HB3 ALA 46 HB3 ALA 46 -7.404 8.041 18.256 356 H GLU 47 H GLU 47 -8.455 4.891 16.210 357 HA GLU 47 HA GLU 47 -9.122 2.389 17.464 358 HB2 GLU 47 HB2 GLU 47 -11.516 2.485 17.077 359 HB3 GLU 47 HB3 GLU 47 -11.027 3.779 18.161 360 HG2 GLU 47 HG2 GLU 47 -11.214 5.397 16.426 361 HG3 GLU 47 HG3 GLU 47 -11.480 4.140 15.215 362 H GLU 48 H GLU 48 -10.688 1.181 15.723 363 HA GLU 48 HA GLU 48 -8.899 0.921 13.499 364 HB2 GLU 48 HB2 GLU 48 -10.157 -0.945 14.744 365 HB3 GLU 48 HB3 GLU 48 -11.537 -0.491 13.752 366 HG2 GLU 48 HG2 GLU 48 -10.007 -0.809 11.751 367 HG3 GLU 48 HG3 GLU 48 -8.892 -1.591 12.871 368 H ASN 49 H ASN 49 -11.732 2.752 14.042 369 HA ASN 49 HA ASN 49 -12.468 2.804 11.235 370 HB2 ASN 49 HB2 ASN 49 -13.633 4.182 13.642 371 HB3 ASN 49 HB3 ASN 49 -14.163 4.534 11.997 372 HD21 ASN 49 HD21 ASN 49 -14.291 2.370 14.622 373 HD22 ASN 49 HD22 ASN 49 -15.384 1.223 13.916 374 H GLU 50 H GLU 50 -10.034 4.113 12.860 375 HA GLU 50 HA GLU 50 -9.988 6.825 12.225 376 HB2 GLU 50 HB2 GLU 50 -8.252 5.173 13.453 377 HB3 GLU 50 HB3 GLU 50 -7.470 5.283 11.882 378 HG2 GLU 50 HG2 GLU 50 -6.506 6.942 13.256 379 HG3 GLU 50 HG3 GLU 50 -7.560 7.775 12.112 380 H SER 51 H SER 51 -9.804 7.894 10.334 381 HA SER 51 HA SER 51 -9.304 6.253 7.944 382 HB2 SER 51 HB2 SER 51 -11.227 8.578 8.189 383 HB3 SER 51 HB3 SER 51 -10.975 7.571 6.762 384 HG SER 51 HG SER 51 -11.700 6.380 9.213 385 H LEU 52 H LEU 52 -7.619 6.868 6.807 386 HA LEU 52 HA LEU 52 -6.140 9.221 7.456 387 HB2 LEU 52 HB2 LEU 52 -5.797 7.340 5.119 388 HB3 LEU 52 HB3 LEU 52 -4.604 8.473 5.723 389 HG LEU 52 HG LEU 52 -5.668 6.133 7.307 390 HD11 LEU 52 HD11 LEU 52 -3.102 6.410 5.748 391 HD12 LEU 52 HD12 LEU 52 -4.437 5.313 5.392 392 HD13 LEU 52 HD13 LEU 52 -3.486 5.096 6.859 393 HD21 LEU 52 HD21 LEU 52 -3.784 6.585 8.775 394 HD22 LEU 52 HD22 LEU 52 -4.845 7.991 8.663 395 HD23 LEU 52 HD23 LEU 52 -3.319 7.963 7.776 396 H ASP 53 H ASP 53 -8.688 8.517 5.321 397 HA ASP 53 HA ASP 53 -8.139 10.858 3.646 398 HB2 ASP 53 HB2 ASP 53 -8.790 8.706 2.571 399 HB3 ASP 53 HB3 ASP 53 -10.342 8.797 3.396 400 H ASP 54 H ASP 54 -9.440 10.318 6.539 401 HA ASP 54 HA ASP 54 -11.849 11.935 6.275 402 HB2 ASP 54 HB2 ASP 54 -11.625 9.938 7.859 403 HB3 ASP 54 HB3 ASP 54 -10.561 10.946 8.833 404 H GLN 55 H GLN 55 -11.924 13.606 8.327 405 HA GLN 55 HA GLN 55 -9.792 15.507 7.710 406 HB2 GLN 55 HB2 GLN 55 -12.291 16.078 7.661 407 HB3 GLN 55 HB3 GLN 55 -12.244 15.979 9.414 408 HG2 GLN 55 HG2 GLN 55 -10.139 17.682 8.489 409 HG3 GLN 55 HG3 GLN 55 -11.674 18.189 7.789 410 HE21 GLN 55 HE21 GLN 55 -9.821 17.841 10.687 411 HE22 GLN 55 HE22 GLN 55 -10.888 18.730 11.720 412 H ASN 56 H ASN 56 -10.782 13.289 10.090 413 HA ASN 56 HA ASN 56 -8.943 14.467 12.076 414 HB2 ASN 56 HB2 ASN 56 -11.350 12.682 12.523 415 HB3 ASN 56 HB3 ASN 56 -10.253 13.226 13.784 416 HD21 ASN 56 HD21 ASN 56 -9.961 15.900 12.684 417 HD22 ASN 56 HD22 ASN 56 -11.442 16.721 13.023 418 H ILE 57 H ILE 57 -7.034 13.402 11.827 419 HA ILE 57 HA ILE 57 -7.159 10.458 11.921 420 HB ILE 57 HB ILE 57 -4.875 12.163 10.889 421 HG12 ILE 57 HG12 ILE 57 -5.498 10.664 8.786 422 HG13 ILE 57 HG13 ILE 57 -7.085 10.677 9.548 423 HG21 ILE 57 HG21 ILE 57 -5.168 9.170 11.025 424 HG22 ILE 57 HG22 ILE 57 -4.041 10.160 11.953 425 HG23 ILE 57 HG23 ILE 57 -3.870 10.032 10.203 426 HD11 ILE 57 HD11 ILE 57 -7.111 13.094 9.485 427 HD12 ILE 57 HD12 ILE 57 -6.854 12.423 7.873 428 HD13 ILE 57 HD13 ILE 57 -5.498 13.102 8.776 429 H SER 58 H SER 58 -6.988 9.886 13.979 430 HA SER 58 HA SER 58 -5.296 11.475 15.776 431 HB2 SER 58 HB2 SER 58 -7.140 9.288 16.686 432 HB3 SER 58 HB3 SER 58 -6.673 10.773 17.519 433 HG SER 58 HG SER 58 -8.434 10.492 15.303 434 H ILE 59 H ILE 59 -3.327 10.724 16.269 435 HA ILE 59 HA ILE 59 -2.896 7.804 16.206 436 HB ILE 59 HB ILE 59 -0.771 9.944 15.964 437 HG12 ILE 59 HG12 ILE 59 -2.001 8.202 13.810 438 HG13 ILE 59 HG13 ILE 59 -2.234 9.939 13.984 439 HG21 ILE 59 HG21 ILE 59 -0.657 6.953 15.593 440 HG22 ILE 59 HG22 ILE 59 0.037 7.866 16.932 441 HG23 ILE 59 HG23 ILE 59 0.674 8.072 15.301 442 HD11 ILE 59 HD11 ILE 59 0.148 10.296 13.566 443 HD12 ILE 59 HD12 ILE 59 -0.632 9.444 12.232 444 HD13 ILE 59 HD13 ILE 59 0.373 8.557 13.380 445 H ALA 60 H ALA 60 -2.411 6.827 18.069 446 HA ALA 60 HA ALA 60 -2.124 8.501 20.450 447 HB1 ALA 60 HB1 ALA 60 -2.674 5.545 20.199 448 HB2 ALA 60 HB2 ALA 60 -3.880 6.803 20.474 449 HB3 ALA 60 HB3 ALA 60 -2.659 6.468 21.702 450 H GLY 61 H GLY 61 -0.231 8.789 21.387 451 HA2 GLY 61 HA2 GLY 61 1.876 6.765 20.944 452 HA3 GLY 61 HA3 GLY 61 2.213 8.489 20.879 453 H HIS 62 H HIS 62 3.731 7.140 22.541 454 HA HIS 62 HA HIS 62 3.089 8.215 25.110 455 HB2 HIS 62 HB2 HIS 62 3.132 6.085 26.357 456 HB3 HIS 62 HB3 HIS 62 1.760 6.157 25.260 457 HD1 HIS 62 HD1 HIS 62 4.888 4.261 25.955 458 HD2 HIS 62 HD2 HIS 62 1.902 4.366 23.058 459 HE1 HIS 62 HE1 HIS 62 5.143 2.134 24.637 460 H THR 63 H THR 63 4.895 7.350 26.737 461 HA THR 63 HA THR 63 7.427 7.436 25.309 462 HB THR 63 HB THR 63 8.048 7.214 27.983 463 HG1 THR 63 HG1 THR 63 6.313 9.120 28.490 464 HG21 THR 63 HG21 THR 63 7.471 9.721 26.399 465 HG22 THR 63 HG22 THR 63 8.987 8.820 26.396 466 HG23 THR 63 HG23 THR 63 8.446 9.635 27.864 467 H PHE 64 H PHE 64 9.080 5.875 25.591 468 HA PHE 64 HA PHE 64 8.249 3.299 26.722 469 HB2 PHE 64 HB2 PHE 64 7.938 3.368 24.200 470 HB3 PHE 64 HB3 PHE 64 9.683 3.556 24.071 471 HD1 PHE 64 HD1 PHE 64 7.131 1.317 25.598 472 HD2 PHE 64 HD2 PHE 64 10.988 1.673 23.840 473 HE1 PHE 64 HE1 PHE 64 7.378 -1.130 25.655 474 HE2 PHE 64 HE2 PHE 64 11.244 -0.773 23.896 475 HZ PHE 64 HZ PHE 64 9.437 -2.178 24.802 476 H ILE 65 H ILE 65 10.067 1.946 27.321 477 HA ILE 65 HA ILE 65 12.095 3.617 28.496 478 HB ILE 65 HB ILE 65 11.778 0.625 28.734 479 HG12 ILE 65 HG12 ILE 65 10.713 2.808 30.545 480 HG13 ILE 65 HG13 ILE 65 9.735 1.854 29.434 481 HG21 ILE 65 HG21 ILE 65 13.966 1.419 29.404 482 HG22 ILE 65 HG22 ILE 65 13.041 0.929 30.824 483 HG23 ILE 65 HG23 ILE 65 13.231 2.640 30.442 484 HD11 ILE 65 HD11 ILE 65 9.539 1.036 31.709 485 HD12 ILE 65 HD12 ILE 65 11.284 0.787 31.783 486 HD13 ILE 65 HD13 ILE 65 10.303 -0.169 30.672 487 H ASP 66 H ASP 66 12.147 0.726 26.406 488 HA ASP 66 HA ASP 66 14.957 0.619 26.212 489 HB2 ASP 66 HB2 ASP 66 13.604 -1.344 25.752 490 HB3 ASP 66 HB3 ASP 66 12.852 -0.539 24.378 491 H ARG 67 H ARG 67 12.527 2.112 24.124 492 HA ARG 67 HA ARG 67 14.698 3.050 22.385 493 HB2 ARG 67 HB2 ARG 67 11.750 2.725 21.788 494 HB3 ARG 67 HB3 ARG 67 12.923 3.415 20.672 495 HG2 ARG 67 HG2 ARG 67 14.125 1.329 20.572 496 HG3 ARG 67 HG3 ARG 67 13.072 0.626 21.798 497 HD2 ARG 67 HD2 ARG 67 12.395 -0.174 19.639 498 HD3 ARG 67 HD3 ARG 67 11.157 0.916 20.253 499 HE ARG 67 HE ARG 67 12.228 2.628 18.749 500 HH11 ARG 67 HH11 ARG 67 12.506 -0.798 18.073 501 HH12 ARG 67 HH12 ARG 67 12.587 -0.576 16.355 502 HH21 ARG 67 HH21 ARG 67 12.313 2.914 16.460 503 HH22 ARG 67 HH22 ARG 67 12.464 1.516 15.438 504 HA PRO 68 HA PRO 68 13.789 6.984 24.368 505 HB2 PRO 68 HB2 PRO 68 15.956 8.271 23.416 506 HB3 PRO 68 HB3 PRO 68 16.075 7.097 24.739 507 HG2 PRO 68 HG2 PRO 68 16.625 6.727 21.813 508 HG3 PRO 68 HG3 PRO 68 17.595 6.200 23.203 509 HD2 PRO 68 HD2 PRO 68 15.937 4.519 21.879 510 HD3 PRO 68 HD3 PRO 68 16.235 4.377 23.623 511 H ASN 69 H ASN 69 13.826 6.095 21.121 512 HA ASN 69 HA ASN 69 12.406 8.430 20.289 513 HB2 ASN 69 HB2 ASN 69 14.962 8.966 20.236 514 HB3 ASN 69 HB3 ASN 69 14.970 7.945 18.804 515 HD21 ASN 69 HD21 ASN 69 15.546 10.743 19.085 516 HD22 ASN 69 HD22 ASN 69 14.456 11.570 18.018 517 H TYR 70 H TYR 70 10.915 6.749 19.844 518 HA TYR 70 HA TYR 70 11.528 5.397 17.304 519 HB2 TYR 70 HB2 TYR 70 9.727 3.793 17.823 520 HB3 TYR 70 HB3 TYR 70 10.994 3.762 19.040 521 HD1 TYR 70 HD1 TYR 70 10.538 5.069 21.222 522 HD2 TYR 70 HD2 TYR 70 7.497 4.020 18.447 523 HE1 TYR 70 HE1 TYR 70 8.847 5.347 22.980 524 HE2 TYR 70 HE2 TYR 70 5.794 4.293 20.195 525 HH TYR 70 HH TYR 70 6.327 5.871 23.051 526 H GLN 71 H GLN 71 8.578 4.929 16.971 527 HA GLN 71 HA GLN 71 7.957 6.908 15.220 528 HB2 GLN 71 HB2 GLN 71 6.087 5.328 16.980 529 HB3 GLN 71 HB3 GLN 71 5.532 6.364 15.676 530 HG2 GLN 71 HG2 GLN 71 5.555 4.346 14.624 531 HG3 GLN 71 HG3 GLN 71 7.172 4.925 14.236 532 HE21 GLN 71 HE21 GLN 71 6.185 2.212 14.309 533 HE22 GLN 71 HE22 GLN 71 7.152 1.367 15.472 534 H PHE 72 H PHE 72 6.807 6.875 18.604 535 HA PHE 72 HA PHE 72 6.756 9.815 18.496 536 HB2 PHE 72 HB2 PHE 72 4.683 7.962 19.676 537 HB3 PHE 72 HB3 PHE 72 4.833 9.638 20.186 538 HD1 PHE 72 HD1 PHE 72 2.822 10.554 19.479 539 HD2 PHE 72 HD2 PHE 72 5.145 8.285 16.728 540 HE1 PHE 72 HE1 PHE 72 1.334 11.247 17.649 541 HE2 PHE 72 HE2 PHE 72 3.665 8.978 14.897 542 HZ PHE 72 HZ PHE 72 1.757 10.458 15.352 543 H THR 73 H THR 73 8.517 10.323 19.709 544 HA THR 73 HA THR 73 8.337 9.722 22.541 545 HB THR 73 HB THR 73 11.069 9.272 21.476 546 HG1 THR 73 HG1 THR 73 8.881 7.561 21.027 547 HG21 THR 73 HG21 THR 73 10.598 9.239 23.877 548 HG22 THR 73 HG22 THR 73 11.123 7.650 23.320 549 HG23 THR 73 HG23 THR 73 9.414 7.957 23.632 550 H ASN 74 H ASN 74 10.776 10.942 20.241 551 HA ASN 74 HA ASN 74 11.366 13.183 21.976 552 HB2 ASN 74 HB2 ASN 74 13.102 11.904 20.640 553 HB3 ASN 74 HB3 ASN 74 12.432 12.652 19.195 554 HD21 ASN 74 HD21 ASN 74 14.253 13.770 18.669 555 HD22 ASN 74 HD22 ASN 74 14.857 15.097 19.599 556 H LEU 75 H LEU 75 8.730 12.837 20.600 557 HA LEU 75 HA LEU 75 8.425 14.596 18.443 558 HB2 LEU 75 HB2 LEU 75 6.865 12.778 19.316 559 HB3 LEU 75 HB3 LEU 75 6.327 13.944 20.505 560 HG LEU 75 HG LEU 75 6.172 14.661 17.602 561 HD11 LEU 75 HD11 LEU 75 5.204 12.428 17.748 562 HD12 LEU 75 HD12 LEU 75 3.952 13.644 17.498 563 HD13 LEU 75 HD13 LEU 75 4.194 12.945 19.099 564 HD21 LEU 75 HD21 LEU 75 5.654 16.350 19.292 565 HD22 LEU 75 HD22 LEU 75 4.453 15.275 20.006 566 HD23 LEU 75 HD23 LEU 75 4.215 15.905 18.377 567 H LYS 76 H LYS 76 8.828 15.188 21.795 568 HA LYS 76 HA LYS 76 7.471 17.657 22.002 569 HB2 LYS 76 HB2 LYS 76 8.891 17.956 24.062 570 HB3 LYS 76 HB3 LYS 76 7.925 16.492 24.009 571 HG2 LYS 76 HG2 LYS 76 9.993 15.822 24.860 572 HG3 LYS 76 HG3 LYS 76 10.021 15.321 23.174 573 HD2 LYS 76 HD2 LYS 76 11.420 17.173 22.577 574 HD3 LYS 76 HD3 LYS 76 11.239 17.890 24.179 575 HE2 LYS 76 HE2 LYS 76 12.545 15.227 23.628 576 HE3 LYS 76 HE3 LYS 76 13.416 16.744 23.845 577 HZ1 LYS 76 HZ1 LYS 76 13.373 15.505 25.900 578 HZ2 LYS 76 HZ2 LYS 76 11.683 15.415 25.861 579 HZ3 LYS 76 HZ3 LYS 76 12.447 16.916 26.070 580 H ALA 77 H ALA 77 10.278 16.878 20.331 581 HA ALA 77 HA ALA 77 11.619 19.414 20.662 582 HB1 ALA 77 HB1 ALA 77 12.886 17.378 20.213 583 HB2 ALA 77 HB2 ALA 77 13.162 18.591 18.963 584 HB3 ALA 77 HB3 ALA 77 12.094 17.222 18.647 585 H ALA 78 H ALA 78 8.875 18.528 19.060 586 HA ALA 78 HA ALA 78 9.229 20.060 16.643 587 HB1 ALA 78 HB1 ALA 78 7.747 18.126 16.661 588 HB2 ALA 78 HB2 ALA 78 6.855 19.598 16.268 589 HB3 ALA 78 HB3 ALA 78 6.736 18.900 17.883 590 H LYS 79 H LYS 79 7.739 21.855 16.108 591 HA LYS 79 HA LYS 79 7.042 23.503 18.422 592 HB2 LYS 79 HB2 LYS 79 8.009 25.511 17.280 593 HB3 LYS 79 HB3 LYS 79 9.198 24.366 17.864 594 HG2 LYS 79 HG2 LYS 79 8.270 24.349 15.015 595 HG3 LYS 79 HG3 LYS 79 9.559 25.416 15.563 596 HD2 LYS 79 HD2 LYS 79 9.568 22.413 15.860 597 HD3 LYS 79 HD3 LYS 79 10.382 23.296 14.570 598 HE2 LYS 79 HE2 LYS 79 11.777 24.434 16.207 599 HE3 LYS 79 HE3 LYS 79 10.940 23.605 17.520 600 HZ1 LYS 79 HZ1 LYS 79 12.303 22.085 15.377 601 HZ2 LYS 79 HZ2 LYS 79 11.888 21.577 16.949 602 HZ3 LYS 79 HZ3 LYS 79 13.163 22.667 16.719 603 H LYS 80 H LYS 80 6.200 25.761 17.154 604 HA LYS 80 HA LYS 80 3.623 24.831 16.350 605 HB2 LYS 80 HB2 LYS 80 3.060 27.227 16.166 606 HB3 LYS 80 HB3 LYS 80 3.745 26.774 17.716 607 HG2 LYS 80 HG2 LYS 80 5.713 27.916 17.327 608 HG3 LYS 80 HG3 LYS 80 5.502 27.883 15.575 609 HD2 LYS 80 HD2 LYS 80 5.145 30.127 16.481 610 HD3 LYS 80 HD3 LYS 80 3.675 29.484 15.752 611 HE2 LYS 80 HE2 LYS 80 3.098 30.581 17.808 612 HE3 LYS 80 HE3 LYS 80 2.894 28.844 18.019 613 HZ1 LYS 80 HZ1 LYS 80 4.014 30.068 19.883 614 HZ2 LYS 80 HZ2 LYS 80 5.352 30.272 18.858 615 HZ3 LYS 80 HZ3 LYS 80 4.846 28.718 19.296 616 H GLY 81 H GLY 81 6.163 24.759 14.539 617 HA2 GLY 81 HA2 GLY 81 4.601 24.895 12.122 618 HA3 GLY 81 HA3 GLY 81 5.900 26.081 12.194 619 H SER 82 H SER 82 5.793 22.721 13.333 620 HA SER 82 HA SER 82 8.201 22.119 11.867 621 HB2 SER 82 HB2 SER 82 6.394 20.421 13.607 622 HB3 SER 82 HB3 SER 82 7.898 19.855 12.885 623 HG SER 82 HG SER 82 9.001 21.453 14.061 624 H MET 83 H MET 83 8.326 21.129 9.945 625 HA MET 83 HA MET 83 5.904 20.598 8.474 626 HB2 MET 83 HB2 MET 83 8.836 20.425 7.795 627 HB3 MET 83 HB3 MET 83 7.596 19.842 6.693 628 HG2 MET 83 HG2 MET 83 7.821 22.661 7.728 629 HG3 MET 83 HG3 MET 83 8.350 22.102 6.141 630 HE1 MET 83 HE1 MET 83 5.783 19.941 5.740 631 HE2 MET 83 HE2 MET 83 6.590 20.853 4.464 632 HE3 MET 83 HE3 MET 83 4.842 20.962 4.651 633 H VAL 84 H VAL 84 4.846 18.851 9.120 634 HA VAL 84 HA VAL 84 6.268 16.389 9.760 635 HB VAL 84 HB VAL 84 3.291 16.911 9.753 636 HG11 VAL 84 HG11 VAL 84 3.874 14.547 9.653 637 HG12 VAL 84 HG12 VAL 84 3.176 14.956 11.220 638 HG13 VAL 84 HG13 VAL 84 4.918 14.736 11.062 639 HG21 VAL 84 HG21 VAL 84 3.497 17.217 12.175 640 HG22 VAL 84 HG22 VAL 84 4.403 18.439 11.282 641 HG23 VAL 84 HG23 VAL 84 5.251 17.088 12.036 642 H TYR 85 H TYR 85 6.411 14.673 8.419 643 HA TYR 85 HA TYR 85 4.955 14.839 5.861 644 HB2 TYR 85 HB2 TYR 85 7.582 13.447 6.422 645 HB3 TYR 85 HB3 TYR 85 6.788 13.577 4.859 646 HD1 TYR 85 HD1 TYR 85 6.752 15.716 3.660 647 HD2 TYR 85 HD2 TYR 85 8.842 15.277 7.340 648 HE1 TYR 85 HE1 TYR 85 7.993 17.785 3.194 649 HE2 TYR 85 HE2 TYR 85 10.089 17.348 6.890 650 HH TYR 85 HH TYR 85 9.219 19.506 4.373 651 H PHE 86 H PHE 86 3.405 13.352 5.642 652 HA PHE 86 HA PHE 86 3.743 10.810 7.081 653 HB2 PHE 86 HB2 PHE 86 1.735 12.204 7.664 654 HB3 PHE 86 HB3 PHE 86 1.167 11.978 6.013 655 HD1 PHE 86 HD1 PHE 86 -0.512 10.429 5.815 656 HD2 PHE 86 HD2 PHE 86 2.539 9.789 8.711 657 HE1 PHE 86 HE1 PHE 86 -1.593 8.322 6.485 658 HE2 PHE 86 HE2 PHE 86 1.462 7.680 9.384 659 HZ PHE 86 HZ PHE 86 -0.605 6.947 8.270 660 H LYS 87 H LYS 87 4.563 9.329 5.804 661 HA LYS 87 HA LYS 87 4.124 9.324 2.944 662 HB2 LYS 87 HB2 LYS 87 5.578 7.412 4.780 663 HB3 LYS 87 HB3 LYS 87 5.482 7.207 3.040 664 HG2 LYS 87 HG2 LYS 87 6.723 9.575 4.421 665 HG3 LYS 87 HG3 LYS 87 7.612 8.182 3.805 666 HD2 LYS 87 HD2 LYS 87 6.232 8.831 1.603 667 HD3 LYS 87 HD3 LYS 87 6.338 10.424 2.355 668 HE2 LYS 87 HE2 LYS 87 8.670 8.605 1.751 669 HE3 LYS 87 HE3 LYS 87 8.191 10.003 0.795 670 HZ1 LYS 87 HZ1 LYS 87 10.064 10.317 2.437 671 HZ2 LYS 87 HZ2 LYS 87 8.895 10.247 3.665 672 HZ3 LYS 87 HZ3 LYS 87 8.820 11.464 2.490 673 H VAL 88 H VAL 88 2.144 8.693 2.281 674 HA VAL 88 HA VAL 88 1.199 6.086 3.195 675 HB VAL 88 HB VAL 88 0.035 7.685 4.621 676 HG11 VAL 88 HG11 VAL 88 -0.971 8.896 2.052 677 HG12 VAL 88 HG12 VAL 88 0.075 9.661 3.249 678 HG13 VAL 88 HG13 VAL 88 -1.595 9.271 3.658 679 HG21 VAL 88 HG21 VAL 88 -1.124 5.654 4.000 680 HG22 VAL 88 HG22 VAL 88 -1.754 6.430 2.547 681 HG23 VAL 88 HG23 VAL 88 -2.268 6.988 4.139 682 H GLY 89 H GLY 89 0.398 4.867 1.630 683 HA2 GLY 89 HA2 GLY 89 -0.368 4.188 -0.424 684 HA3 GLY 89 HA3 GLY 89 -1.027 5.806 -0.623 685 H ASN 90 H ASN 90 0.142 7.354 -1.711 686 HA ASN 90 HA ASN 90 2.742 6.598 -2.814 687 HB2 ASN 90 HB2 ASN 90 0.760 6.061 -4.400 688 HB3 ASN 90 HB3 ASN 90 0.650 7.803 -4.595 689 HD21 ASN 90 HD21 ASN 90 2.592 4.983 -5.149 690 HD22 ASN 90 HD22 ASN 90 3.629 5.683 -6.340 691 H GLU 91 H GLU 91 1.116 8.662 -1.012 692 HA GLU 91 HA GLU 91 2.222 11.099 -2.237 693 HB2 GLU 91 HB2 GLU 91 -0.045 10.846 -0.259 694 HB3 GLU 91 HB3 GLU 91 0.529 12.338 -0.985 695 HG2 GLU 91 HG2 GLU 91 -0.118 11.408 -3.210 696 HG3 GLU 91 HG3 GLU 91 -0.858 10.052 -2.358 697 H THR 92 H THR 92 2.924 12.766 -0.756 698 HA THR 92 HA THR 92 3.733 11.770 1.892 699 HB THR 92 HB THR 92 5.215 13.848 0.262 700 HG1 THR 92 HG1 THR 92 5.204 11.141 0.099 701 HG21 THR 92 HG21 THR 92 6.995 13.486 1.915 702 HG22 THR 92 HG22 THR 92 5.972 12.335 2.772 703 HG23 THR 92 HG23 THR 92 5.513 14.035 2.696 704 H ARG 93 H ARG 93 1.989 12.555 2.984 705 HA ARG 93 HA ARG 93 0.853 15.117 2.408 706 HB2 ARG 93 HB2 ARG 93 0.351 13.092 4.584 707 HB3 ARG 93 HB3 ARG 93 -0.542 14.601 4.457 708 HG2 ARG 93 HG2 ARG 93 -0.398 12.562 2.254 709 HG3 ARG 93 HG3 ARG 93 -1.679 12.611 3.468 710 HD2 ARG 93 HD2 ARG 93 -2.399 14.759 2.740 711 HD3 ARG 93 HD3 ARG 93 -0.979 14.958 1.718 712 HE ARG 93 HE ARG 93 -2.067 12.850 0.566 713 HH11 ARG 93 HH11 ARG 93 -3.739 15.645 1.866 714 HH12 ARG 93 HH12 ARG 93 -4.905 15.695 0.570 715 HH21 ARG 93 HH21 ARG 93 -3.604 12.897 -1.111 716 HH22 ARG 93 HH22 ARG 93 -4.843 14.126 -1.110 717 H LYS 94 H LYS 94 1.517 16.994 3.122 718 HA LYS 94 HA LYS 94 3.405 17.107 5.340 719 HB2 LYS 94 HB2 LYS 94 3.682 19.512 4.613 720 HB3 LYS 94 HB3 LYS 94 4.219 18.304 3.462 721 HG2 LYS 94 HG2 LYS 94 1.472 19.458 3.240 722 HG3 LYS 94 HG3 LYS 94 2.865 20.371 2.661 723 HD2 LYS 94 HD2 LYS 94 3.491 18.404 1.265 724 HD3 LYS 94 HD3 LYS 94 1.987 17.627 1.765 725 HE2 LYS 94 HE2 LYS 94 2.168 20.281 0.342 726 HE3 LYS 94 HE3 LYS 94 1.837 18.739 -0.447 727 HZ1 LYS 94 HZ1 LYS 94 -0.169 20.090 0.067 728 HZ2 LYS 94 HZ2 LYS 94 0.147 19.883 1.716 729 HZ3 LYS 94 HZ3 LYS 94 -0.199 18.535 0.744 730 H TYR 95 H TYR 95 2.943 17.931 7.258 731 HA TYR 95 HA TYR 95 0.388 19.364 7.598 732 HB2 TYR 95 HB2 TYR 95 1.570 17.309 9.484 733 HB3 TYR 95 HB3 TYR 95 0.106 18.240 9.772 734 HD1 TYR 95 HD1 TYR 95 -1.934 17.767 8.489 735 HD2 TYR 95 HD2 TYR 95 1.566 15.401 8.024 736 HE1 TYR 95 HE1 TYR 95 -3.270 16.019 7.396 737 HE2 TYR 95 HE2 TYR 95 0.242 13.646 6.926 738 HH TYR 95 HH TYR 95 -2.963 14.156 5.873 739 H LYS 96 H LYS 96 0.355 20.973 9.202 740 HA LYS 96 HA LYS 96 3.021 21.776 10.191 741 HB2 LYS 96 HB2 LYS 96 1.635 23.208 8.442 742 HB3 LYS 96 HB3 LYS 96 0.799 23.753 9.882 743 HG2 LYS 96 HG2 LYS 96 2.560 25.273 9.295 744 HG3 LYS 96 HG3 LYS 96 2.949 24.472 10.823 745 HD2 LYS 96 HD2 LYS 96 4.956 24.154 9.816 746 HD3 LYS 96 HD3 LYS 96 4.120 22.784 9.079 747 HE2 LYS 96 HE2 LYS 96 5.229 23.943 7.328 748 HE3 LYS 96 HE3 LYS 96 3.504 24.295 7.179 749 HZ1 LYS 96 HZ1 LYS 96 5.610 26.068 8.293 750 HZ2 LYS 96 HZ2 LYS 96 3.951 26.406 8.404 751 HZ3 LYS 96 HZ3 LYS 96 4.697 26.316 6.884 752 H MET 97 H MET 97 3.231 21.834 12.353 753 HA MET 97 HA MET 97 0.913 21.186 13.961 754 HB2 MET 97 HB2 MET 97 3.840 21.473 14.643 755 HB3 MET 97 HB3 MET 97 2.603 21.103 15.837 756 HG2 MET 97 HG2 MET 97 2.038 19.065 14.657 757 HG3 MET 97 HG3 MET 97 3.218 19.446 13.406 758 HE1 MET 97 HE1 MET 97 2.848 16.769 15.281 759 HE2 MET 97 HE2 MET 97 4.531 16.332 15.594 760 HE3 MET 97 HE3 MET 97 4.032 16.802 13.972 761 H THR 98 H THR 98 -0.115 23.254 13.442 762 HA THR 98 HA THR 98 1.099 25.651 14.505 763 HB THR 98 HB THR 98 -0.049 25.841 12.404 764 HG1 THR 98 HG1 THR 98 -0.200 27.646 13.830 765 HG21 THR 98 HG21 THR 98 -2.488 24.851 13.874 766 HG22 THR 98 HG22 THR 98 -1.636 24.051 12.551 767 HG23 THR 98 HG23 THR 98 -2.514 25.552 12.255 768 H SER 99 H SER 99 -1.182 23.299 15.618 769 HA SER 99 HA SER 99 -1.794 25.047 17.910 770 HB2 SER 99 HB2 SER 99 -3.501 22.822 16.771 771 HB3 SER 99 HB3 SER 99 -3.906 23.818 18.166 772 HG SER 99 HG SER 99 -3.269 25.367 16.052 773 H ILE 100 H ILE 100 -0.623 24.450 19.604 774 HA ILE 100 HA ILE 100 -0.134 21.577 20.063 775 HB ILE 100 HB ILE 100 1.875 23.811 20.375 776 HG12 ILE 100 HG12 ILE 100 1.868 21.439 18.497 777 HG13 ILE 100 HG13 ILE 100 1.479 23.094 18.037 778 HG21 ILE 100 HG21 ILE 100 3.461 22.054 21.005 779 HG22 ILE 100 HG22 ILE 100 2.161 20.864 20.942 780 HG23 ILE 100 HG23 ILE 100 2.115 22.157 22.140 781 HD11 ILE 100 HD11 ILE 100 3.755 22.487 17.424 782 HD12 ILE 100 HD12 ILE 100 4.124 22.153 19.116 783 HD13 ILE 100 HD13 ILE 100 3.730 23.795 18.606 784 H ARG 101 H ARG 101 -0.711 20.913 22.032 785 HA ARG 101 HA ARG 101 0.071 22.312 24.378 786 HB2 ARG 101 HB2 ARG 101 -2.041 22.888 25.345 787 HB3 ARG 101 HB3 ARG 101 -1.978 23.636 23.759 788 HG2 ARG 101 HG2 ARG 101 -3.398 21.857 22.862 789 HG3 ARG 101 HG3 ARG 101 -3.460 21.108 24.461 790 HD2 ARG 101 HD2 ARG 101 -4.437 23.214 25.344 791 HD3 ARG 101 HD3 ARG 101 -4.488 23.836 23.696 792 HE ARG 101 HE ARG 101 -5.861 21.322 24.141 793 HH11 ARG 101 HH11 ARG 101 -6.081 24.800 23.931 794 HH12 ARG 101 HH12 ARG 101 -7.804 24.814 23.687 795 HH21 ARG 101 HH21 ARG 101 -8.143 21.328 23.832 796 HH22 ARG 101 HH22 ARG 101 -8.967 22.834 23.590 797 H ASP 102 H ASP 102 -1.242 21.133 26.347 798 HA ASP 102 HA ASP 102 -1.738 18.349 25.525 799 HB2 ASP 102 HB2 ASP 102 -0.872 17.575 27.720 800 HB3 ASP 102 HB3 ASP 102 0.370 18.307 26.715 801 H VAL 103 H VAL 103 -3.309 17.227 26.816 802 HA VAL 103 HA VAL 103 -5.118 19.102 28.168 803 HB VAL 103 HB VAL 103 -7.037 17.816 27.163 804 HG11 VAL 103 HG11 VAL 103 -6.965 19.082 25.077 805 HG12 VAL 103 HG12 VAL 103 -5.238 19.361 25.303 806 HG13 VAL 103 HG13 VAL 103 -6.400 20.051 26.437 807 HG21 VAL 103 HG21 VAL 103 -4.871 16.839 25.300 808 HG22 VAL 103 HG22 VAL 103 -6.607 16.643 25.051 809 HG23 VAL 103 HG23 VAL 103 -5.816 15.846 26.410 810 H LYS 104 H LYS 104 -5.667 18.551 30.082 811 HA LYS 104 HA LYS 104 -5.280 15.941 31.160 812 HB2 LYS 104 HB2 LYS 104 -6.821 17.036 33.040 813 HB3 LYS 104 HB3 LYS 104 -5.110 17.391 32.902 814 HG2 LYS 104 HG2 LYS 104 -6.577 19.358 33.307 815 HG3 LYS 104 HG3 LYS 104 -5.543 19.495 31.883 816 HD2 LYS 104 HD2 LYS 104 -7.402 18.970 30.442 817 HD3 LYS 104 HD3 LYS 104 -8.439 18.658 31.833 818 HE2 LYS 104 HE2 LYS 104 -8.899 20.854 30.866 819 HE3 LYS 104 HE3 LYS 104 -8.265 20.997 32.503 820 HZ1 LYS 104 HZ1 LYS 104 -6.197 21.716 31.709 821 HZ2 LYS 104 HZ2 LYS 104 -7.334 22.563 30.774 822 HZ3 LYS 104 HZ3 LYS 104 -6.527 21.225 30.123 823 HA PRO 105 HA PRO 105 -8.993 13.821 30.198 824 HB2 PRO 105 HB2 PRO 105 -9.406 13.302 33.094 825 HB3 PRO 105 HB3 PRO 105 -9.282 12.161 31.751 826 HG2 PRO 105 HG2 PRO 105 -7.269 12.455 33.466 827 HG3 PRO 105 HG3 PRO 105 -6.963 12.229 31.733 828 HD2 PRO 105 HD2 PRO 105 -6.861 14.734 33.368 829 HD3 PRO 105 HD3 PRO 105 -5.787 14.197 32.058 830 H THR 106 H THR 106 -9.024 16.444 32.409 831 HA THR 106 HA THR 106 -11.919 16.523 32.641 832 HB THR 106 HB THR 106 -11.588 18.491 34.044 833 HG1 THR 106 HG1 THR 106 -9.832 19.649 33.850 834 HG21 THR 106 HG21 THR 106 -11.283 16.273 35.069 835 HG22 THR 106 HG22 THR 106 -10.268 17.497 35.835 836 HG23 THR 106 HG23 THR 106 -9.559 16.353 34.696 837 H ASP 107 H ASP 107 -9.748 17.374 30.300 838 HA ASP 107 HA ASP 107 -10.944 19.899 29.532 839 HB2 ASP 107 HB2 ASP 107 -8.537 19.418 29.106 840 HB3 ASP 107 HB3 ASP 107 -9.020 18.165 27.966 841 H VAL 108 H VAL 108 -12.823 20.013 28.539 842 HA VAL 108 HA VAL 108 -13.707 17.732 26.912 843 HB VAL 108 HB VAL 108 -15.978 18.707 27.081 844 HG11 VAL 108 HG11 VAL 108 -14.620 18.251 29.734 845 HG12 VAL 108 HG12 VAL 108 -15.265 17.002 28.667 846 HG13 VAL 108 HG13 VAL 108 -16.355 18.159 29.434 847 HG21 VAL 108 HG21 VAL 108 -16.396 20.500 28.724 848 HG22 VAL 108 HG22 VAL 108 -15.415 21.047 27.365 849 HG23 VAL 108 HG23 VAL 108 -14.655 20.703 28.919 850 H GLU 109 H GLU 109 -11.990 20.317 26.372 851 HA GLU 109 HA GLU 109 -13.500 21.581 24.259 852 HB2 GLU 109 HB2 GLU 109 -10.611 21.950 25.079 853 HB3 GLU 109 HB3 GLU 109 -11.510 22.981 23.974 854 HG2 GLU 109 HG2 GLU 109 -12.107 22.574 26.895 855 HG3 GLU 109 HG3 GLU 109 -11.341 23.990 26.177 856 H VAL 110 H VAL 110 -10.734 19.398 24.582 857 HA VAL 110 HA VAL 110 -10.446 19.087 21.730 858 HB VAL 110 HB VAL 110 -8.969 17.164 22.293 859 HG11 VAL 110 HG11 VAL 110 -8.076 19.420 22.064 860 HG12 VAL 110 HG12 VAL 110 -7.193 18.511 23.290 861 HG13 VAL 110 HG13 VAL 110 -8.380 19.722 23.775 862 HG21 VAL 110 HG21 VAL 110 -9.571 17.937 25.148 863 HG22 VAL 110 HG22 VAL 110 -8.365 16.760 24.627 864 HG23 VAL 110 HG23 VAL 110 -10.079 16.447 24.354 865 H LEU 111 H LEU 111 -12.360 17.677 24.214 866 HA LEU 111 HA LEU 111 -13.073 15.294 22.828 867 HB2 LEU 111 HB2 LEU 111 -14.517 16.801 25.010 868 HB3 LEU 111 HB3 LEU 111 -14.962 15.205 24.437 869 HG LEU 111 HG LEU 111 -12.378 15.933 25.819 870 HD11 LEU 111 HD11 LEU 111 -13.241 14.546 27.634 871 HD12 LEU 111 HD12 LEU 111 -14.745 14.310 26.745 872 HD13 LEU 111 HD13 LEU 111 -14.301 15.919 27.315 873 HD21 LEU 111 HD21 LEU 111 -13.387 13.254 24.865 874 HD22 LEU 111 HD22 LEU 111 -11.921 13.535 25.805 875 HD23 LEU 111 HD23 LEU 111 -12.050 14.167 24.164 876 H ASP 112 H ASP 112 -14.111 18.597 22.762 877 HA ASP 112 HA ASP 112 -16.465 18.018 21.170 878 HB2 ASP 112 HB2 ASP 112 -16.390 19.900 22.788 879 HB3 ASP 112 HB3 ASP 112 -15.211 20.672 21.745 880 H GLU 113 H GLU 113 -15.903 17.204 19.408 881 HA GLU 113 HA GLU 113 -14.045 16.992 17.666 882 HB2 GLU 113 HB2 GLU 113 -15.763 17.401 15.805 883 HB3 GLU 113 HB3 GLU 113 -16.161 16.223 17.054 884 HG2 GLU 113 HG2 GLU 113 -17.367 18.112 18.253 885 HG3 GLU 113 HG3 GLU 113 -17.196 19.027 16.754 886 H GLN 114 H GLN 114 -12.370 18.310 17.185 887 HA GLN 114 HA GLN 114 -12.717 21.108 16.683 888 HB2 GLN 114 HB2 GLN 114 -10.338 19.297 16.252 889 HB3 GLN 114 HB3 GLN 114 -10.307 21.043 16.083 890 HG2 GLN 114 HG2 GLN 114 -9.406 20.662 18.169 891 HG3 GLN 114 HG3 GLN 114 -11.066 21.110 18.523 892 HE21 GLN 114 HE21 GLN 114 -12.428 19.595 19.416 893 HE22 GLN 114 HE22 GLN 114 -11.866 18.072 20.019 894 H LYS 115 H LYS 115 -13.589 21.842 14.857 895 HA LYS 115 HA LYS 115 -12.603 20.704 12.335 896 HB2 LYS 115 HB2 LYS 115 -15.387 21.726 12.919 897 HB3 LYS 115 HB3 LYS 115 -14.785 21.397 11.300 898 HG2 LYS 115 HG2 LYS 115 -15.785 19.411 11.668 899 HG3 LYS 115 HG3 LYS 115 -14.241 19.048 12.439 900 HD2 LYS 115 HD2 LYS 115 -16.044 18.346 13.883 901 HD3 LYS 115 HD3 LYS 115 -15.200 19.712 14.614 902 HE2 LYS 115 HE2 LYS 115 -17.601 19.972 14.850 903 HE3 LYS 115 HE3 LYS 115 -16.945 21.220 13.791 904 HZ1 LYS 115 HZ1 LYS 115 -18.367 18.754 12.930 905 HZ2 LYS 115 HZ2 LYS 115 -17.678 19.890 11.878 906 HZ3 LYS 115 HZ3 LYS 115 -18.970 20.335 12.877 907 H GLY 116 H GLY 116 -13.282 22.460 10.508 908 HA2 GLY 116 HA2 GLY 116 -13.197 24.798 9.962 909 HA3 GLY 116 HA3 GLY 116 -12.385 25.087 11.496 910 H LYS 117 H LYS 117 -10.821 22.543 10.861 911 HA LYS 117 HA LYS 117 -8.760 23.827 9.223 912 HB2 LYS 117 HB2 LYS 117 -8.613 21.374 10.992 913 HB3 LYS 117 HB3 LYS 117 -7.258 22.112 10.156 914 HG2 LYS 117 HG2 LYS 117 -8.893 23.493 12.273 915 HG3 LYS 117 HG3 LYS 117 -7.382 22.635 12.575 916 HD2 LYS 117 HD2 LYS 117 -6.250 24.149 10.977 917 HD3 LYS 117 HD3 LYS 117 -7.763 25.040 10.797 918 HE2 LYS 117 HE2 LYS 117 -6.161 24.704 13.330 919 HE3 LYS 117 HE3 LYS 117 -6.305 26.174 12.368 920 HZ1 LYS 117 HZ1 LYS 117 -8.732 26.097 12.834 921 HZ2 LYS 117 HZ2 LYS 117 -7.776 26.361 14.204 922 HZ3 LYS 117 HZ3 LYS 117 -8.443 24.829 13.924 923 H ASP 118 H ASP 118 -7.426 22.075 7.970 924 HA ASP 118 HA ASP 118 -9.227 20.431 6.372 925 HB2 ASP 118 HB2 ASP 118 -7.163 21.864 5.545 926 HB3 ASP 118 HB3 ASP 118 -6.241 20.452 6.049 927 H LYS 119 H LYS 119 -7.070 18.427 5.905 928 HA LYS 119 HA LYS 119 -7.606 16.522 7.881 929 HB2 LYS 119 HB2 LYS 119 -5.551 16.850 5.767 930 HB3 LYS 119 HB3 LYS 119 -5.153 15.738 7.065 931 HG2 LYS 119 HG2 LYS 119 -6.139 14.591 5.163 932 HG3 LYS 119 HG3 LYS 119 -7.146 14.441 6.599 933 HD2 LYS 119 HD2 LYS 119 -8.756 15.911 5.763 934 HD3 LYS 119 HD3 LYS 119 -7.649 16.585 4.565 935 HE2 LYS 119 HE2 LYS 119 -8.706 13.759 4.548 936 HE3 LYS 119 HE3 LYS 119 -9.348 15.083 3.576 937 HZ1 LYS 119 HZ1 LYS 119 -7.797 13.733 2.304 938 HZ2 LYS 119 HZ2 LYS 119 -6.579 14.024 3.438 939 HZ3 LYS 119 HZ3 LYS 119 -7.189 15.303 2.512 940 H GLN 120 H GLN 120 -7.241 16.828 10.002 941 HA GLN 120 HA GLN 120 -4.768 18.201 10.756 942 HB2 GLN 120 HB2 GLN 120 -5.762 18.672 12.884 943 HB3 GLN 120 HB3 GLN 120 -6.914 19.111 11.637 944 HG2 GLN 120 HG2 GLN 120 -8.112 16.992 12.045 945 HG3 GLN 120 HG3 GLN 120 -6.988 16.649 13.362 946 HE21 GLN 120 HE21 GLN 120 -8.477 16.697 14.999 947 HE22 GLN 120 HE22 GLN 120 -9.315 18.132 15.476 948 H LEU 121 H LEU 121 -3.126 17.028 11.333 949 HA LEU 121 HA LEU 121 -3.468 14.232 11.983 950 HB2 LEU 121 HB2 LEU 121 -1.612 15.184 10.523 951 HB3 LEU 121 HB3 LEU 121 -0.910 15.831 11.994 952 HG LEU 121 HG LEU 121 -0.696 13.551 12.889 953 HD11 LEU 121 HD11 LEU 121 -1.068 11.632 11.429 954 HD12 LEU 121 HD12 LEU 121 -1.693 12.701 10.172 955 HD13 LEU 121 HD13 LEU 121 -2.566 12.526 11.696 956 HD21 LEU 121 HD21 LEU 121 1.181 14.534 11.706 957 HD22 LEU 121 HD22 LEU 121 0.536 13.960 10.168 958 HD23 LEU 121 HD23 LEU 121 1.090 12.804 11.377 959 H THR 122 H THR 122 -4.212 13.880 13.960 960 HA THR 122 HA THR 122 -3.509 15.704 16.119 961 HB THR 122 HB THR 122 -5.408 13.355 16.213 962 HG1 THR 122 HG1 THR 122 -5.759 15.216 14.595 963 HG21 THR 122 HG21 THR 122 -4.759 14.224 18.394 964 HG22 THR 122 HG22 THR 122 -6.436 14.646 18.047 965 HG23 THR 122 HG23 THR 122 -5.168 15.861 17.884 966 H LEU 123 H LEU 123 -1.459 15.196 16.759 967 HA LEU 123 HA LEU 123 -0.783 12.404 17.240 968 HB2 LEU 123 HB2 LEU 123 0.943 14.853 17.631 969 HB3 LEU 123 HB3 LEU 123 1.479 13.185 17.634 970 HG LEU 123 HG LEU 123 0.715 14.920 15.316 971 HD11 LEU 123 HD11 LEU 123 3.050 14.728 15.949 972 HD12 LEU 123 HD12 LEU 123 2.750 13.998 14.372 973 HD13 LEU 123 HD13 LEU 123 2.958 12.974 15.793 974 HD21 LEU 123 HD21 LEU 123 -0.705 12.973 15.042 975 HD22 LEU 123 HD22 LEU 123 0.668 11.905 15.317 976 HD23 LEU 123 HD23 LEU 123 0.619 12.923 13.879 977 H ILE 124 H ILE 124 -1.648 11.648 19.058 978 HA ILE 124 HA ILE 124 -1.783 13.363 21.426 979 HB ILE 124 HB ILE 124 -2.902 10.576 21.114 980 HG12 ILE 124 HG12 ILE 124 -4.365 13.192 20.702 981 HG13 ILE 124 HG13 ILE 124 -3.800 12.165 19.387 982 HG21 ILE 124 HG21 ILE 124 -3.564 12.828 23.009 983 HG22 ILE 124 HG22 ILE 124 -2.666 11.365 23.410 984 HG23 ILE 124 HG23 ILE 124 -4.368 11.260 22.958 985 HD11 ILE 124 HD11 ILE 124 -5.245 10.364 20.187 986 HD12 ILE 124 HD12 ILE 124 -6.159 11.825 19.810 987 HD13 ILE 124 HD13 ILE 124 -5.816 11.408 21.488 988 H THR 125 H THR 125 0.224 13.366 22.321 989 HA THR 125 HA THR 125 1.589 10.798 22.701 990 HB THR 125 HB THR 125 2.648 13.566 23.302 991 HG1 THR 125 HG1 THR 125 2.059 12.815 20.979 992 HG21 THR 125 HG21 THR 125 4.037 10.907 22.928 993 HG22 THR 125 HG22 THR 125 3.830 11.763 24.456 994 HG23 THR 125 HG23 THR 125 4.841 12.456 23.188 995 H CYS 126 H CYS 126 0.601 9.833 24.412 996 HA CYS 126 HA CYS 126 -0.024 11.297 26.811 997 HB2 CYS 126 HB2 CYS 126 0.020 8.309 26.342 998 HB3 CYS 126 HB3 CYS 126 -0.711 9.133 27.713 999 H ASP 127 H ASP 127 1.715 12.079 27.841 1000 HA ASP 127 HA ASP 127 3.735 10.146 28.704 1001 HB2 ASP 127 HB2 ASP 127 4.709 11.318 26.793 1002 HB3 ASP 127 HB3 ASP 127 4.359 12.870 27.550 1003 H ASP 128 H ASP 128 2.552 10.188 30.612 1004 HA ASP 128 HA ASP 128 3.724 11.429 32.724 1005 HB2 ASP 128 HB2 ASP 128 2.638 13.542 31.747 1006 HB3 ASP 128 HB3 ASP 128 1.096 12.841 32.233 1007 H TYR 129 H TYR 129 3.394 9.571 33.845 1008 HA TYR 129 HA TYR 129 0.857 8.189 33.525 1009 HB2 TYR 129 HB2 TYR 129 2.981 6.938 33.308 1010 HB3 TYR 129 HB3 TYR 129 3.351 7.305 34.989 1011 HD1 TYR 129 HD1 TYR 129 2.550 5.933 36.714 1012 HD2 TYR 129 HD2 TYR 129 0.881 5.584 32.820 1013 HE1 TYR 129 HE1 TYR 129 1.312 3.934 37.432 1014 HE2 TYR 129 HE2 TYR 129 -0.362 3.586 33.523 1015 HH TYR 129 HH TYR 129 -0.608 2.631 36.825 1016 H ASN 130 H ASN 130 -0.687 8.060 34.968 1017 HA ASN 130 HA ASN 130 -0.238 9.156 37.661 1018 HB2 ASN 130 HB2 ASN 130 -2.071 10.193 36.428 1019 HB3 ASN 130 HB3 ASN 130 -2.791 8.616 36.122 1020 HD21 ASN 130 HD21 ASN 130 -2.415 11.201 38.351 1021 HD22 ASN 130 HD22 ASN 130 -3.465 10.569 39.582 1022 H GLU 131 H GLU 131 0.176 7.679 39.169 1023 HA GLU 131 HA GLU 131 -0.370 4.889 38.701 1024 HB2 GLU 131 HB2 GLU 131 0.819 6.294 41.091 1025 HB3 GLU 131 HB3 GLU 131 0.788 4.553 40.849 1026 HG2 GLU 131 HG2 GLU 131 2.202 4.788 38.883 1027 HG3 GLU 131 HG3 GLU 131 2.203 6.539 39.083 1028 H LYS 132 H LYS 132 -1.949 7.481 40.271 1029 HA LYS 132 HA LYS 132 -3.237 6.159 42.364 1030 HB2 LYS 132 HB2 LYS 132 -3.883 8.626 40.778 1031 HB3 LYS 132 HB3 LYS 132 -4.897 8.074 42.089 1032 HG2 LYS 132 HG2 LYS 132 -2.001 8.843 42.309 1033 HG3 LYS 132 HG3 LYS 132 -3.380 9.808 42.836 1034 HD2 LYS 132 HD2 LYS 132 -2.519 7.137 43.932 1035 HD3 LYS 132 HD3 LYS 132 -2.399 8.697 44.743 1036 HE2 LYS 132 HE2 LYS 132 -4.933 7.257 43.967 1037 HE3 LYS 132 HE3 LYS 132 -4.295 7.447 45.597 1038 HZ1 LYS 132 HZ1 LYS 132 -5.972 9.048 45.359 1039 HZ2 LYS 132 HZ2 LYS 132 -5.432 9.537 43.829 1040 HZ3 LYS 132 HZ3 LYS 132 -4.520 9.915 45.212 1041 H THR 133 H THR 133 -4.125 6.541 38.967 1042 HA THR 133 HA THR 133 -6.337 4.668 39.448 1043 HB THR 133 HB THR 133 -7.254 6.944 39.295 1044 HG1 THR 133 HG1 THR 133 -8.867 5.886 38.463 1045 HG21 THR 133 HG21 THR 133 -6.121 6.917 36.508 1046 HG22 THR 133 HG22 THR 133 -5.592 7.946 37.836 1047 HG23 THR 133 HG23 THR 133 -7.209 8.141 37.161 1048 H GLY 134 H GLY 134 -3.614 5.489 37.603 1049 HA2 GLY 134 HA2 GLY 134 -2.515 3.941 36.241 1050 HA3 GLY 134 HA3 GLY 134 -4.015 3.044 36.093 1051 H VAL 135 H VAL 135 -3.986 6.471 35.442 1052 HA VAL 135 HA VAL 135 -4.203 5.878 32.582 1053 HB VAL 135 HB VAL 135 -5.406 7.980 32.384 1054 HG11 VAL 135 HG11 VAL 135 -6.542 6.142 34.467 1055 HG12 VAL 135 HG12 VAL 135 -6.728 6.005 32.719 1056 HG13 VAL 135 HG13 VAL 135 -7.470 7.352 33.583 1057 HG21 VAL 135 HG21 VAL 135 -6.162 9.188 34.402 1058 HG22 VAL 135 HG22 VAL 135 -4.420 9.264 34.146 1059 HG23 VAL 135 HG23 VAL 135 -5.083 8.174 35.360 1060 H TRP 136 H TRP 136 -3.693 8.069 31.338 1061 HA TRP 136 HA TRP 136 -1.155 9.144 32.367 1062 HB2 TRP 136 HB2 TRP 136 -2.058 8.821 29.488 1063 HB3 TRP 136 HB3 TRP 136 -0.559 9.592 29.995 1064 HD1 TRP 136 HD1 TRP 136 -2.246 6.104 30.168 1065 HE1 TRP 136 HE1 TRP 136 -0.396 4.311 30.124 1066 HE3 TRP 136 HE3 TRP 136 1.843 9.171 30.268 1067 HZ2 TRP 136 HZ2 TRP 136 2.425 4.222 30.129 1068 HZ3 TRP 136 HZ3 TRP 136 4.082 8.151 30.244 1069 HH2 TRP 136 HH2 TRP 136 4.366 5.727 30.178 1070 H GLU 137 H GLU 137 -1.614 11.066 33.258 1071 HA GLU 137 HA GLU 137 -4.033 12.438 32.700 1072 HB2 GLU 137 HB2 GLU 137 -1.611 13.255 34.297 1073 HB3 GLU 137 HB3 GLU 137 -3.088 14.203 34.207 1074 HG2 GLU 137 HG2 GLU 137 -4.325 12.257 35.117 1075 HG3 GLU 137 HG3 GLU 137 -2.780 11.433 35.329 1076 H LYS 138 H LYS 138 -0.653 13.472 32.210 1077 HA LYS 138 HA LYS 138 -1.559 15.693 30.619 1078 HB2 LYS 138 HB2 LYS 138 0.321 16.050 32.063 1079 HB3 LYS 138 HB3 LYS 138 1.200 14.733 31.315 1080 HG2 LYS 138 HG2 LYS 138 1.568 15.938 29.345 1081 HG3 LYS 138 HG3 LYS 138 0.338 17.135 29.754 1082 HD2 LYS 138 HD2 LYS 138 2.658 17.966 30.042 1083 HD3 LYS 138 HD3 LYS 138 1.707 18.017 31.525 1084 HE2 LYS 138 HE2 LYS 138 3.885 17.206 32.074 1085 HE3 LYS 138 HE3 LYS 138 2.758 15.857 32.190 1086 HZ1 LYS 138 HZ1 LYS 138 4.782 15.186 31.100 1087 HZ2 LYS 138 HZ2 LYS 138 4.610 16.405 29.932 1088 HZ3 LYS 138 HZ3 LYS 138 3.500 15.126 29.995 1089 H ARG 139 H ARG 139 -2.536 14.837 28.938 1090 HA ARG 139 HA ARG 139 -1.059 13.144 27.079 1091 HB2 ARG 139 HB2 ARG 139 -3.913 14.149 26.986 1092 HB3 ARG 139 HB3 ARG 139 -3.192 13.028 25.838 1093 HG2 ARG 139 HG2 ARG 139 -2.831 11.420 27.666 1094 HG3 ARG 139 HG3 ARG 139 -3.621 12.538 28.779 1095 HD2 ARG 139 HD2 ARG 139 -4.894 11.326 26.330 1096 HD3 ARG 139 HD3 ARG 139 -5.121 10.749 27.980 1097 HE ARG 139 HE ARG 139 -5.783 13.532 27.591 1098 HH11 ARG 139 HH11 ARG 139 -6.948 10.231 27.519 1099 HH12 ARG 139 HH12 ARG 139 -8.614 10.674 27.684 1100 HH21 ARG 139 HH21 ARG 139 -8.015 14.127 27.798 1101 HH22 ARG 139 HH22 ARG 139 -9.213 12.872 27.871 1102 H LYS 140 H LYS 140 0.377 14.309 25.990 1103 HA LYS 140 HA LYS 140 -0.052 17.058 25.305 1104 HB2 LYS 140 HB2 LYS 140 2.183 16.276 25.850 1105 HB3 LYS 140 HB3 LYS 140 2.124 15.103 24.544 1106 HG2 LYS 140 HG2 LYS 140 3.483 16.964 23.892 1107 HG3 LYS 140 HG3 LYS 140 2.012 16.946 22.924 1108 HD2 LYS 140 HD2 LYS 140 2.147 19.172 23.455 1109 HD3 LYS 140 HD3 LYS 140 1.141 18.584 24.778 1110 HE2 LYS 140 HE2 LYS 140 4.121 18.721 25.045 1111 HE3 LYS 140 HE3 LYS 140 3.129 20.152 25.298 1112 HZ1 LYS 140 HZ1 LYS 140 3.602 19.016 27.375 1113 HZ2 LYS 140 HZ2 LYS 140 2.881 17.593 26.799 1114 HZ3 LYS 140 HZ3 LYS 140 1.939 18.981 27.049 1115 H ILE 141 H ILE 141 -0.925 17.843 23.497 1116 HA ILE 141 HA ILE 141 -1.428 15.935 21.322 1117 HB ILE 141 HB ILE 141 -3.485 16.342 22.540 1118 HG12 ILE 141 HG12 ILE 141 -3.396 17.681 19.831 1119 HG13 ILE 141 HG13 ILE 141 -3.687 15.975 20.156 1120 HG21 ILE 141 HG21 ILE 141 -3.010 19.246 21.927 1121 HG22 ILE 141 HG22 ILE 141 -3.032 18.485 23.519 1122 HG23 ILE 141 HG23 ILE 141 -4.516 18.589 22.569 1123 HD11 ILE 141 HD11 ILE 141 -5.790 16.520 21.240 1124 HD12 ILE 141 HD12 ILE 141 -5.743 17.168 19.599 1125 HD13 ILE 141 HD13 ILE 141 -5.494 18.241 20.979 1126 H PHE 142 H PHE 142 -0.472 16.465 19.571 1127 HA PHE 142 HA PHE 142 0.024 19.291 18.928 1128 HB2 PHE 142 HB2 PHE 142 1.437 16.743 18.166 1129 HB3 PHE 142 HB3 PHE 142 1.593 18.175 17.161 1130 HD1 PHE 142 HD1 PHE 142 1.818 17.364 20.830 1131 HD2 PHE 142 HD2 PHE 142 3.490 19.375 17.472 1132 HE1 PHE 142 HE1 PHE 142 3.687 18.141 22.222 1133 HE2 PHE 142 HE2 PHE 142 5.358 20.156 18.866 1134 HZ PHE 142 HZ PHE 142 5.459 19.538 21.244 1135 H VAL 143 H VAL 143 -1.600 20.030 17.682 1136 HA VAL 143 HA VAL 143 -2.854 18.231 15.733 1137 HB VAL 143 HB VAL 143 -3.608 21.054 16.508 1138 HG11 VAL 143 HG11 VAL 143 -4.285 20.517 14.230 1139 HG12 VAL 143 HG12 VAL 143 -5.688 20.625 15.292 1140 HG13 VAL 143 HG13 VAL 143 -5.074 19.047 14.801 1141 HG21 VAL 143 HG21 VAL 143 -4.872 18.425 17.270 1142 HG22 VAL 143 HG22 VAL 143 -5.492 20.025 17.681 1143 HG23 VAL 143 HG23 VAL 143 -3.949 19.482 18.340 1144 H ALA 144 H ALA 144 -1.752 18.067 13.940 1145 HA ALA 144 HA ALA 144 -0.528 20.474 12.786 1146 HB1 ALA 144 HB1 ALA 144 -0.002 17.573 12.147 1147 HB2 ALA 144 HB2 ALA 144 0.989 18.596 13.186 1148 HB3 ALA 144 HB3 ALA 144 0.849 18.961 11.468 1149 H THR 145 H THR 145 -1.860 21.458 11.429 1150 HA THR 145 HA THR 145 -3.885 20.037 9.958 1151 HB THR 145 HB THR 145 -3.039 22.923 9.663 1152 HG1 THR 145 HG1 THR 145 -4.620 21.604 11.586 1153 HG21 THR 145 HG21 THR 145 -5.331 23.258 8.878 1154 HG22 THR 145 HG22 THR 145 -5.660 21.537 9.077 1155 HG23 THR 145 HG23 THR 145 -4.491 22.078 7.872 1156 H GLU 146 H GLU 146 -3.840 19.450 7.841 1157 HA GLU 146 HA GLU 146 -1.460 19.068 6.475 1158 HB2 GLU 146 HB2 GLU 146 -3.595 17.890 5.997 1159 HB3 GLU 146 HB3 GLU 146 -4.213 19.361 5.257 1160 HG2 GLU 146 HG2 GLU 146 -2.448 19.257 3.575 1161 HG3 GLU 146 HG3 GLU 146 -1.828 17.786 4.318 1162 H VAL 147 H VAL 147 -0.144 20.368 5.424 1163 HA VAL 147 HA VAL 147 -0.845 23.146 5.039 1164 HB VAL 147 HB VAL 147 1.714 21.824 4.120 1165 HG11 VAL 147 HG11 VAL 147 1.255 24.149 3.389 1166 HG12 VAL 147 HG12 VAL 147 2.685 24.009 4.414 1167 HG13 VAL 147 HG13 VAL 147 1.175 24.628 5.087 1168 HG21 VAL 147 HG21 VAL 147 2.638 22.542 6.355 1169 HG22 VAL 147 HG22 VAL 147 1.531 21.167 6.393 1170 HG23 VAL 147 HG23 VAL 147 0.966 22.767 6.870 1171 H LYS 148 H LYS 148 -0.630 24.216 2.972 1172 HA LYS 148 HA LYS 148 -2.266 23.222 1.024 1173 HB2 LYS 148 HB2 LYS 148 -1.234 25.004 -0.435 1174 HB3 LYS 148 HB3 LYS 148 -1.827 25.548 1.128 1175 HG2 LYS 148 HG2 LYS 148 0.610 25.193 1.911 1176 HG3 LYS 148 HG3 LYS 148 0.991 25.221 0.190 1177 HD2 LYS 148 HD2 LYS 148 1.262 27.432 1.032 1178 HD3 LYS 148 HD3 LYS 148 -0.204 27.413 0.051 1179 HE2 LYS 148 HE2 LYS 148 -1.542 27.171 2.104 1180 HE3 LYS 148 HE3 LYS 148 -0.061 27.256 3.058 1181 HZ1 LYS 148 HZ1 LYS 148 0.321 29.488 2.173 1182 HZ2 LYS 148 HZ2 LYS 148 -1.154 29.387 3.001 1183 HZ3 LYS 148 HZ3 LYS 148 -1.135 29.399 1.304 1184 H1 JPT 201 H7 UNK 201 -2.918 8.130 27.609 1185 H11 JPT 201 H11 UNK 201 -2.837 5.578 28.034 1186 H12 JPT 201 H12 UNK 201 -0.644 4.699 24.040 1187 H13 JPT 201 H13 UNK 201 -1.553 7.140 24.197 1188 H62 JPT 201 H62 UNK 201 -5.169 6.690 22.762 1189 H61 JPT 201 H61 UNK 201 -6.917 6.613 23.062 1190 H3 JPT 201 H3 UNK 201 -6.379 8.074 21.308 1191 H4 JPT 201 H4 UNK 201 -5.928 8.239 28.844 1192 H2 JPT 201 H2 UNK 201 -7.921 7.783 24.921 Start of MODEL 20 1 HA MET 1 HA MET 1 -5.565 0.074 -10.410 2 HB2 MET 1 HB2 MET 1 -3.333 -1.513 -9.114 3 HB3 MET 1 HB3 MET 1 -4.902 -1.187 -8.392 4 HG2 MET 1 HG2 MET 1 -5.987 -2.476 -10.147 5 HG3 MET 1 HG3 MET 1 -4.421 -2.784 -10.898 6 HE1 MET 1 HE1 MET 1 -4.934 -5.365 -10.899 7 HE2 MET 1 HE2 MET 1 -6.496 -5.101 -10.122 8 HE3 MET 1 HE3 MET 1 -5.372 -6.290 -9.464 9 H GLN 2 H GLN 2 -5.764 1.599 -8.770 10 HA GLN 2 HA GLN 2 -3.400 3.279 -8.392 11 HB2 GLN 2 HB2 GLN 2 -4.859 5.033 -7.637 12 HB3 GLN 2 HB3 GLN 2 -5.414 4.427 -9.196 13 HG2 GLN 2 HG2 GLN 2 -6.562 3.512 -6.593 14 HG3 GLN 2 HG3 GLN 2 -7.176 4.916 -7.456 15 HE21 GLN 2 HE21 GLN 2 -8.531 2.451 -6.781 16 HE22 GLN 2 HE22 GLN 2 -9.065 1.759 -8.273 17 H ALA 3 H ALA 3 -3.882 4.554 -6.105 18 HA ALA 3 HA ALA 3 -3.646 2.389 -4.132 19 HB1 ALA 3 HB1 ALA 3 -1.506 3.404 -4.585 20 HB2 ALA 3 HB2 ALA 3 -2.039 3.875 -2.970 21 HB3 ALA 3 HB3 ALA 3 -2.177 5.010 -4.315 22 H LYS 4 H LYS 4 -4.914 2.477 -2.394 23 HA LYS 4 HA LYS 4 -6.088 5.076 -1.669 24 HB2 LYS 4 HB2 LYS 4 -7.446 2.398 -1.700 25 HB3 LYS 4 HB3 LYS 4 -8.068 3.760 -0.788 26 HG2 LYS 4 HG2 LYS 4 -8.129 5.044 -2.940 27 HG3 LYS 4 HG3 LYS 4 -7.759 3.529 -3.768 28 HD2 LYS 4 HD2 LYS 4 -9.771 2.514 -2.860 29 HD3 LYS 4 HD3 LYS 4 -10.128 3.986 -1.953 30 HE2 LYS 4 HE2 LYS 4 -10.268 5.212 -4.108 31 HE3 LYS 4 HE3 LYS 4 -10.052 3.678 -4.950 32 HZ1 LYS 4 HZ1 LYS 4 -12.376 4.252 -4.815 33 HZ2 LYS 4 HZ2 LYS 4 -12.294 4.371 -3.127 34 HZ3 LYS 4 HZ3 LYS 4 -12.078 2.866 -3.880 35 HA PRO 5 HA PRO 5 -3.628 3.687 1.913 36 HB2 PRO 5 HB2 PRO 5 -3.397 6.212 2.935 37 HB3 PRO 5 HB3 PRO 5 -2.303 5.551 1.715 38 HG2 PRO 5 HG2 PRO 5 -4.671 7.346 1.367 39 HG3 PRO 5 HG3 PRO 5 -3.076 7.440 0.597 40 HD2 PRO 5 HD2 PRO 5 -5.211 6.424 -0.685 41 HD3 PRO 5 HD3 PRO 5 -3.580 5.763 -0.925 42 H GLN 6 H GLN 6 -4.601 2.922 3.649 43 HA GLN 6 HA GLN 6 -6.704 4.385 4.996 44 HB2 GLN 6 HB2 GLN 6 -8.354 2.581 4.761 45 HB3 GLN 6 HB3 GLN 6 -7.931 3.267 3.197 46 HG2 GLN 6 HG2 GLN 6 -6.338 1.370 2.884 47 HG3 GLN 6 HG3 GLN 6 -6.995 0.657 4.357 48 HE21 GLN 6 HE21 GLN 6 -7.578 1.436 1.041 49 HE22 GLN 6 HE22 GLN 6 -9.035 0.510 0.856 50 H ILE 7 H ILE 7 -7.654 2.833 6.733 51 HA ILE 7 HA ILE 7 -5.356 1.630 8.101 52 HB ILE 7 HB ILE 7 -7.910 2.829 9.182 53 HG12 ILE 7 HG12 ILE 7 -5.114 3.768 9.716 54 HG13 ILE 7 HG13 ILE 7 -5.943 4.243 8.239 55 HG21 ILE 7 HG21 ILE 7 -7.047 2.452 11.404 56 HG22 ILE 7 HG22 ILE 7 -5.591 1.712 10.745 57 HG23 ILE 7 HG23 ILE 7 -7.151 0.913 10.549 58 HD11 ILE 7 HD11 ILE 7 -6.096 5.899 10.054 59 HD12 ILE 7 HD12 ILE 7 -7.006 4.724 11.006 60 HD13 ILE 7 HD13 ILE 7 -7.661 5.329 9.481 61 HA PRO 8 HA PRO 8 -7.790 -2.091 7.324 62 HB2 PRO 8 HB2 PRO 8 -5.752 -3.818 7.320 63 HB3 PRO 8 HB3 PRO 8 -6.017 -2.714 5.966 64 HG2 PRO 8 HG2 PRO 8 -4.053 -2.522 8.211 65 HG3 PRO 8 HG3 PRO 8 -3.831 -2.146 6.492 66 HD2 PRO 8 HD2 PRO 8 -4.337 -0.277 8.470 67 HD3 PRO 8 HD3 PRO 8 -4.644 -0.030 6.741 68 H LYS 9 H LYS 9 -8.014 -4.165 8.467 69 HA LYS 9 HA LYS 9 -7.911 -3.786 11.340 70 HB2 LYS 9 HB2 LYS 9 -8.789 -6.294 9.973 71 HB3 LYS 9 HB3 LYS 9 -9.366 -5.603 11.480 72 HG2 LYS 9 HG2 LYS 9 -10.484 -3.823 10.255 73 HG3 LYS 9 HG3 LYS 9 -9.880 -4.487 8.734 74 HD2 LYS 9 HD2 LYS 9 -12.119 -5.244 8.997 75 HD3 LYS 9 HD3 LYS 9 -11.048 -6.615 9.303 76 HE2 LYS 9 HE2 LYS 9 -12.837 -6.534 10.956 77 HE3 LYS 9 HE3 LYS 9 -11.268 -6.254 11.711 78 HZ1 LYS 9 HZ1 LYS 9 -12.870 -4.703 12.568 79 HZ2 LYS 9 HZ2 LYS 9 -13.282 -4.188 11.008 80 HZ3 LYS 9 HZ3 LYS 9 -11.741 -3.855 11.630 81 H ASP 10 H ASP 10 -6.191 -5.379 8.868 82 HA ASP 10 HA ASP 10 -4.810 -7.308 10.430 83 HB2 ASP 10 HB2 ASP 10 -4.965 -7.361 7.938 84 HB3 ASP 10 HB3 ASP 10 -3.885 -5.973 7.875 85 H LYS 11 H LYS 11 -3.551 -6.835 12.076 86 HA LYS 11 HA LYS 11 -2.558 -4.112 12.373 87 HB2 LYS 11 HB2 LYS 11 -2.518 -6.366 14.385 88 HB3 LYS 11 HB3 LYS 11 -2.368 -4.641 14.708 89 HG2 LYS 11 HG2 LYS 11 -4.638 -4.253 14.106 90 HG3 LYS 11 HG3 LYS 11 -4.818 -5.898 13.502 91 HD2 LYS 11 HD2 LYS 11 -4.149 -6.530 15.965 92 HD3 LYS 11 HD3 LYS 11 -4.732 -4.895 16.308 93 HE2 LYS 11 HE2 LYS 11 -6.520 -6.510 16.584 94 HE3 LYS 11 HE3 LYS 11 -6.860 -5.429 15.235 95 HZ1 LYS 11 HZ1 LYS 11 -7.386 -7.682 14.639 96 HZ2 LYS 11 HZ2 LYS 11 -5.828 -8.207 15.051 97 HZ3 LYS 11 HZ3 LYS 11 -6.049 -7.170 13.727 98 H SER 12 H SER 12 -1.237 -6.321 10.698 99 HA SER 12 HA SER 12 1.409 -6.206 11.983 100 HB2 SER 12 HB2 SER 12 0.382 -8.162 9.913 101 HB3 SER 12 HB3 SER 12 1.998 -8.172 10.620 102 HG SER 12 HG SER 12 -0.467 -8.879 11.754 103 H LYS 13 H LYS 13 -0.248 -4.471 9.908 104 HA LYS 13 HA LYS 13 1.907 -4.246 7.924 105 HB2 LYS 13 HB2 LYS 13 -1.012 -3.532 7.742 106 HB3 LYS 13 HB3 LYS 13 0.178 -3.078 6.529 107 HG2 LYS 13 HG2 LYS 13 0.671 -5.434 6.147 108 HG3 LYS 13 HG3 LYS 13 -0.549 -5.876 7.340 109 HD2 LYS 13 HD2 LYS 13 -2.279 -4.843 6.010 110 HD3 LYS 13 HD3 LYS 13 -1.077 -4.270 4.849 111 HE2 LYS 13 HE2 LYS 13 -2.429 -6.438 4.340 112 HE3 LYS 13 HE3 LYS 13 -0.701 -6.382 3.992 113 HZ1 LYS 13 HZ1 LYS 13 -1.651 -7.380 6.603 114 HZ2 LYS 13 HZ2 LYS 13 -0.204 -7.723 5.782 115 HZ3 LYS 13 HZ3 LYS 13 -1.662 -8.399 5.246 116 H VAL 14 H VAL 14 1.827 -1.993 6.885 117 HA VAL 14 HA VAL 14 1.823 0.065 8.991 118 HB VAL 14 HB VAL 14 3.451 -0.045 6.444 119 HG11 VAL 14 HG11 VAL 14 2.882 2.238 7.048 120 HG12 VAL 14 HG12 VAL 14 4.598 1.936 7.321 121 HG13 VAL 14 HG13 VAL 14 3.479 1.973 8.685 122 HG21 VAL 14 HG21 VAL 14 4.316 -0.388 9.315 123 HG22 VAL 14 HG22 VAL 14 5.387 -0.332 7.915 124 HG23 VAL 14 HG23 VAL 14 4.237 -1.657 8.094 125 H ALA 15 H ALA 15 0.354 1.645 8.741 126 HA ALA 15 HA ALA 15 -1.220 1.781 6.316 127 HB1 ALA 15 HB1 ALA 15 -1.355 3.468 8.815 128 HB2 ALA 15 HB2 ALA 15 -2.310 2.020 8.494 129 HB3 ALA 15 HB3 ALA 15 -2.535 3.463 7.506 130 H GLY 16 H GLY 16 1.082 3.789 8.060 131 HA2 GLY 16 HA2 GLY 16 1.959 5.027 5.620 132 HA3 GLY 16 HA3 GLY 16 1.088 6.128 6.687 133 H TYR 17 H TYR 17 3.792 6.459 5.993 134 HA TYR 17 HA TYR 17 5.216 5.728 8.460 135 HB2 TYR 17 HB2 TYR 17 6.356 6.960 5.941 136 HB3 TYR 17 HB3 TYR 17 7.258 6.272 7.283 137 HD1 TYR 17 HD1 TYR 17 7.640 3.922 7.441 138 HD2 TYR 17 HD2 TYR 17 5.084 5.473 4.413 139 HE1 TYR 17 HE1 TYR 17 7.648 1.735 6.319 140 HE2 TYR 17 HE2 TYR 17 5.083 3.292 3.286 141 HH TYR 17 HH TYR 17 6.304 0.461 4.762 142 H ILE 18 H ILE 18 5.800 7.272 9.913 143 HA ILE 18 HA ILE 18 4.874 9.978 9.281 144 HB ILE 18 HB ILE 18 3.801 8.991 11.237 145 HG12 ILE 18 HG12 ILE 18 4.324 10.790 12.881 146 HG13 ILE 18 HG13 ILE 18 5.699 11.250 11.881 147 HG21 ILE 18 HG21 ILE 18 6.559 8.835 12.423 148 HG22 ILE 18 HG22 ILE 18 5.519 7.477 11.988 149 HG23 ILE 18 HG23 ILE 18 5.050 8.563 13.298 150 HD11 ILE 18 HD11 ILE 18 4.195 11.756 10.039 151 HD12 ILE 18 HD12 ILE 18 3.783 12.684 11.481 152 HD13 ILE 18 HD13 ILE 18 2.815 11.280 11.030 153 H GLU 19 H GLU 19 6.346 11.327 8.661 154 HA GLU 19 HA GLU 19 9.057 11.098 9.767 155 HB2 GLU 19 HB2 GLU 19 8.128 11.986 7.047 156 HB3 GLU 19 HB3 GLU 19 9.719 12.408 7.665 157 HG2 GLU 19 HG2 GLU 19 10.198 9.994 7.938 158 HG3 GLU 19 HG3 GLU 19 8.644 9.640 7.180 159 H ILE 20 H ILE 20 9.519 12.576 11.152 160 HA ILE 20 HA ILE 20 8.646 15.338 10.666 161 HB ILE 20 HB ILE 20 8.766 14.008 13.382 162 HG12 ILE 20 HG12 ILE 20 6.343 14.948 11.837 163 HG13 ILE 20 HG13 ILE 20 6.857 13.269 11.942 164 HG21 ILE 20 HG21 ILE 20 7.721 16.104 14.166 165 HG22 ILE 20 HG22 ILE 20 7.915 16.776 12.547 166 HG23 ILE 20 HG23 ILE 20 9.336 16.351 13.501 167 HD11 ILE 20 HD11 ILE 20 6.005 14.998 14.250 168 HD12 ILE 20 HD12 ILE 20 6.515 13.313 14.353 169 HD13 ILE 20 HD13 ILE 20 5.043 13.738 13.479 170 HA PRO 21 HA PRO 21 13.200 15.116 10.726 171 HB2 PRO 21 HB2 PRO 21 13.553 17.518 9.468 172 HB3 PRO 21 HB3 PRO 21 13.227 16.004 8.615 173 HG2 PRO 21 HG2 PRO 21 11.335 18.203 9.368 174 HG3 PRO 21 HG3 PRO 21 11.452 17.300 7.846 175 HD2 PRO 21 HD2 PRO 21 9.581 16.733 9.688 176 HD3 PRO 21 HD3 PRO 21 10.338 15.463 8.703 177 H ASP 22 H ASP 22 11.053 17.413 12.068 178 HA ASP 22 HA ASP 22 13.073 19.019 13.359 179 HB2 ASP 22 HB2 ASP 22 10.884 19.944 12.630 180 HB3 ASP 22 HB3 ASP 22 10.083 18.919 13.807 181 H ALA 23 H ALA 23 11.163 16.201 14.088 182 HA ALA 23 HA ALA 23 12.070 16.300 16.893 183 HB1 ALA 23 HB1 ALA 23 9.711 14.834 15.714 184 HB2 ALA 23 HB2 ALA 23 9.639 16.327 16.648 185 HB3 ALA 23 HB3 ALA 23 10.179 14.832 17.414 186 H ASP 24 H ASP 24 13.039 15.083 14.126 187 HA ASP 24 HA ASP 24 14.460 13.440 13.505 188 HB2 ASP 24 HB2 ASP 24 15.503 13.958 15.728 189 HB3 ASP 24 HB3 ASP 24 14.541 12.661 16.422 190 H ILE 25 H ILE 25 11.529 13.027 13.841 191 HA ILE 25 HA ILE 25 11.278 10.203 14.507 192 HB ILE 25 HB ILE 25 9.260 12.357 13.884 193 HG12 ILE 25 HG12 ILE 25 9.832 10.773 16.398 194 HG13 ILE 25 HG13 ILE 25 10.334 12.435 16.100 195 HG21 ILE 25 HG21 ILE 25 8.716 9.459 14.546 196 HG22 ILE 25 HG22 ILE 25 8.451 10.226 12.980 197 HG23 ILE 25 HG23 ILE 25 7.504 10.729 14.380 198 HD11 ILE 25 HD11 ILE 25 7.989 13.110 15.987 199 HD12 ILE 25 HD12 ILE 25 8.381 12.351 17.530 200 HD13 ILE 25 HD13 ILE 25 7.499 11.444 16.299 201 H LYS 26 H LYS 26 11.677 8.764 12.939 202 HA LYS 26 HA LYS 26 10.250 9.096 10.404 203 HB2 LYS 26 HB2 LYS 26 13.161 8.263 10.515 204 HB3 LYS 26 HB3 LYS 26 12.152 8.265 9.082 205 HG2 LYS 26 HG2 LYS 26 13.329 10.203 8.795 206 HG3 LYS 26 HG3 LYS 26 11.893 10.809 9.621 207 HD2 LYS 26 HD2 LYS 26 13.903 11.787 10.586 208 HD3 LYS 26 HD3 LYS 26 13.101 10.740 11.759 209 HE2 LYS 26 HE2 LYS 26 14.686 8.944 11.219 210 HE3 LYS 26 HE3 LYS 26 15.494 10.008 10.070 211 HZ1 LYS 26 HZ1 LYS 26 15.989 11.515 11.931 212 HZ2 LYS 26 HZ2 LYS 26 16.688 9.987 12.133 213 HZ3 LYS 26 HZ3 LYS 26 15.299 10.403 13.008 214 H GLU 27 H GLU 27 8.814 7.520 11.281 215 HA GLU 27 HA GLU 27 9.816 4.798 10.985 216 HB2 GLU 27 HB2 GLU 27 8.618 5.873 13.521 217 HB3 GLU 27 HB3 GLU 27 8.493 4.170 13.108 218 HG2 GLU 27 HG2 GLU 27 11.162 4.661 12.771 219 HG3 GLU 27 HG3 GLU 27 10.748 5.692 14.142 220 HA PRO 28 HA PRO 28 5.760 4.082 9.325 221 HB2 PRO 28 HB2 PRO 28 5.503 1.427 9.700 222 HB3 PRO 28 HB3 PRO 28 6.651 2.104 8.538 223 HG2 PRO 28 HG2 PRO 28 7.136 1.067 11.299 224 HG3 PRO 28 HG3 PRO 28 8.093 0.824 9.826 225 HD2 PRO 28 HD2 PRO 28 8.725 2.653 11.759 226 HD3 PRO 28 HD3 PRO 28 9.175 2.830 10.052 227 H VAL 29 H VAL 29 3.712 4.276 10.034 228 HA VAL 29 HA VAL 29 3.170 3.910 12.880 229 HB VAL 29 HB VAL 29 1.355 5.048 10.741 230 HG11 VAL 29 HG11 VAL 29 1.223 5.224 13.752 231 HG12 VAL 29 HG12 VAL 29 0.166 4.261 12.717 232 HG13 VAL 29 HG13 VAL 29 0.129 6.021 12.621 233 HG21 VAL 29 HG21 VAL 29 1.998 7.253 11.615 234 HG22 VAL 29 HG22 VAL 29 3.366 6.392 10.908 235 HG23 VAL 29 HG23 VAL 29 3.187 6.478 12.662 236 H TYR 30 H TYR 30 1.846 2.366 13.688 237 HA TYR 30 HA TYR 30 0.945 0.335 11.794 238 HB2 TYR 30 HB2 TYR 30 1.418 0.221 14.772 239 HB3 TYR 30 HB3 TYR 30 0.721 -1.107 13.843 240 HD1 TYR 30 HD1 TYR 30 2.202 -1.354 11.485 241 HD2 TYR 30 HD2 TYR 30 3.628 -0.203 15.322 242 HE1 TYR 30 HE1 TYR 30 4.446 -2.121 10.857 243 HE2 TYR 30 HE2 TYR 30 5.886 -0.965 14.718 244 HH TYR 30 HH TYR 30 6.953 -2.494 13.156 245 HA PRO 31 HA PRO 31 -3.176 1.787 12.517 246 HB2 PRO 31 HB2 PRO 31 -4.311 0.445 10.506 247 HB3 PRO 31 HB3 PRO 31 -3.211 1.796 10.201 248 HG2 PRO 31 HG2 PRO 31 -2.724 -1.137 9.992 249 HG3 PRO 31 HG3 PRO 31 -2.115 0.180 8.974 250 HD2 PRO 31 HD2 PRO 31 -0.718 -1.073 11.040 251 HD3 PRO 31 HD3 PRO 31 -0.299 0.484 10.298 252 H GLY 32 H GLY 32 -4.987 1.020 13.574 253 HA2 GLY 32 HA2 GLY 32 -6.177 -1.411 13.317 254 HA3 GLY 32 HA3 GLY 32 -4.947 -1.690 14.539 255 HA PRO 33 HA PRO 33 -8.804 -0.169 16.648 256 HB2 PRO 33 HB2 PRO 33 -9.123 -2.279 18.275 257 HB3 PRO 33 HB3 PRO 33 -9.673 -2.297 16.598 258 HG2 PRO 33 HG2 PRO 33 -7.157 -3.446 17.755 259 HG3 PRO 33 HG3 PRO 33 -8.308 -4.197 16.633 260 HD2 PRO 33 HD2 PRO 33 -5.997 -3.048 15.819 261 HD3 PRO 33 HD3 PRO 33 -7.463 -3.072 14.819 262 H ALA 34 H ALA 34 -5.710 -0.278 17.210 263 HA ALA 34 HA ALA 34 -4.260 0.408 18.808 264 HB1 ALA 34 HB1 ALA 34 -5.045 1.928 20.536 265 HB2 ALA 34 HB2 ALA 34 -6.716 1.477 20.197 266 HB3 ALA 34 HB3 ALA 34 -5.768 2.329 18.978 267 H THR 35 H THR 35 -3.963 -1.899 19.176 268 HA THR 35 HA THR 35 -5.059 -2.897 21.701 269 HB THR 35 HB THR 35 -4.081 -5.049 21.081 270 HG1 THR 35 HG1 THR 35 -3.327 -4.215 18.531 271 HG21 THR 35 HG21 THR 35 -5.393 -5.528 19.064 272 HG22 THR 35 HG22 THR 35 -5.568 -3.797 18.769 273 HG23 THR 35 HG23 THR 35 -6.301 -4.527 20.197 274 HA PRO 36 HA PRO 36 -1.313 -2.354 24.101 275 HB2 PRO 36 HB2 PRO 36 -1.232 -5.327 24.374 276 HB3 PRO 36 HB3 PRO 36 -1.135 -4.082 25.626 277 HG2 PRO 36 HG2 PRO 36 -3.375 -5.462 25.286 278 HG3 PRO 36 HG3 PRO 36 -3.433 -3.722 25.627 279 HD2 PRO 36 HD2 PRO 36 -3.855 -5.166 23.046 280 HD3 PRO 36 HD3 PRO 36 -4.671 -3.722 23.680 281 H GLU 37 H GLU 37 -1.379 -5.048 21.818 282 HA GLU 37 HA GLU 37 1.366 -5.405 21.453 283 HB2 GLU 37 HB2 GLU 37 -0.849 -5.772 19.423 284 HB3 GLU 37 HB3 GLU 37 0.760 -6.476 19.330 285 HG2 GLU 37 HG2 GLU 37 -1.304 -7.059 21.440 286 HG3 GLU 37 HG3 GLU 37 -0.883 -8.101 20.080 287 H GLN 38 H GLN 38 -0.930 -3.294 19.774 288 HA GLN 38 HA GLN 38 0.800 -2.283 17.819 289 HB2 GLN 38 HB2 GLN 38 -1.795 -1.528 18.971 290 HB3 GLN 38 HB3 GLN 38 -0.878 -0.180 18.319 291 HG2 GLN 38 HG2 GLN 38 -2.394 -1.050 16.660 292 HG3 GLN 38 HG3 GLN 38 -0.727 -1.330 16.166 293 HE21 GLN 38 HE21 GLN 38 0.048 -3.406 16.055 294 HE22 GLN 38 HE22 GLN 38 -0.978 -4.789 16.118 295 H LEU 39 H LEU 39 0.181 -1.208 21.133 296 HA LEU 39 HA LEU 39 1.721 1.199 20.788 297 HB2 LEU 39 HB2 LEU 39 0.229 -0.044 23.062 298 HB3 LEU 39 HB3 LEU 39 1.344 1.269 23.367 299 HG LEU 39 HG LEU 39 -0.908 2.119 23.205 300 HD11 LEU 39 HD11 LEU 39 -0.592 3.806 21.471 301 HD12 LEU 39 HD12 LEU 39 0.719 2.849 20.780 302 HD13 LEU 39 HD13 LEU 39 0.888 3.539 22.394 303 HD21 LEU 39 HD21 LEU 39 -2.188 1.993 21.116 304 HD22 LEU 39 HD22 LEU 39 -1.920 0.402 21.831 305 HD23 LEU 39 HD23 LEU 39 -0.962 0.918 20.443 306 H ASN 40 H ASN 40 2.503 -1.993 21.435 307 HA ASN 40 HA ASN 40 4.865 -1.293 23.008 308 HB2 ASN 40 HB2 ASN 40 3.578 -3.918 22.296 309 HB3 ASN 40 HB3 ASN 40 5.185 -3.834 23.017 310 HD21 ASN 40 HD21 ASN 40 2.810 -5.033 24.104 311 HD22 ASN 40 HD22 ASN 40 2.465 -4.205 25.582 312 H ARG 41 H ARG 41 3.943 -2.449 19.830 313 HA ARG 41 HA ARG 41 6.713 -2.762 19.032 314 HB2 ARG 41 HB2 ARG 41 5.771 -3.323 16.819 315 HB3 ARG 41 HB3 ARG 41 5.109 -4.313 18.109 316 HG2 ARG 41 HG2 ARG 41 3.114 -2.834 18.142 317 HG3 ARG 41 HG3 ARG 41 3.768 -1.998 16.731 318 HD2 ARG 41 HD2 ARG 41 2.136 -3.699 16.083 319 HD3 ARG 41 HD3 ARG 41 3.747 -4.079 15.476 320 HE ARG 41 HE ARG 41 3.129 -5.313 18.006 321 HH11 ARG 41 HH11 ARG 41 2.882 -5.647 14.526 322 HH12 ARG 41 HH12 ARG 41 2.847 -7.384 14.563 323 HH21 ARG 41 HH21 ARG 41 3.063 -7.580 18.068 324 HH22 ARG 41 HH22 ARG 41 2.949 -8.487 16.585 325 H GLY 42 H GLY 42 4.312 -0.330 19.073 326 HA2 GLY 42 HA2 GLY 42 6.078 1.716 18.420 327 HA3 GLY 42 HA3 GLY 42 5.214 1.286 16.951 328 H VAL 43 H VAL 43 3.682 2.697 16.579 329 HA VAL 43 HA VAL 43 1.972 3.572 18.816 330 HB VAL 43 HB VAL 43 2.945 5.265 16.499 331 HG11 VAL 43 HG11 VAL 43 1.767 7.105 17.589 332 HG12 VAL 43 HG12 VAL 43 1.139 5.987 18.801 333 HG13 VAL 43 HG13 VAL 43 0.655 5.821 17.114 334 HG21 VAL 43 HG21 VAL 43 4.046 6.596 18.244 335 HG22 VAL 43 HG22 VAL 43 4.658 4.942 18.181 336 HG23 VAL 43 HG23 VAL 43 3.529 5.418 19.450 337 H SER 44 H SER 44 -0.212 3.718 18.382 338 HA SER 44 HA SER 44 -1.059 2.702 15.754 339 HB2 SER 44 HB2 SER 44 -1.390 0.993 17.456 340 HB3 SER 44 HB3 SER 44 -2.256 2.135 18.478 341 HG SER 44 HG SER 44 -3.947 2.124 17.067 342 H PHE 45 H PHE 45 -3.238 3.308 15.133 343 HA PHE 45 HA PHE 45 -3.883 6.038 15.632 344 HB2 PHE 45 HB2 PHE 45 -5.362 3.806 14.228 345 HB3 PHE 45 HB3 PHE 45 -5.958 5.456 14.302 346 HD1 PHE 45 HD1 PHE 45 -4.299 3.208 12.305 347 HD2 PHE 45 HD2 PHE 45 -4.041 7.239 13.628 348 HE1 PHE 45 HE1 PHE 45 -2.961 3.767 10.323 349 HE2 PHE 45 HE2 PHE 45 -2.695 7.808 11.652 350 HZ PHE 45 HZ PHE 45 -2.153 6.076 9.995 351 H ALA 46 H ALA 46 -5.964 6.762 16.510 352 HA ALA 46 HA ALA 46 -6.435 5.792 19.095 353 HB1 ALA 46 HB1 ALA 46 -6.957 8.078 18.411 354 HB2 ALA 46 HB2 ALA 46 -8.365 7.291 19.126 355 HB3 ALA 46 HB3 ALA 46 -8.253 7.478 17.376 356 H GLU 47 H GLU 47 -8.364 5.390 16.134 357 HA GLU 47 HA GLU 47 -9.397 2.881 17.219 358 HB2 GLU 47 HB2 GLU 47 -11.122 5.070 16.037 359 HB3 GLU 47 HB3 GLU 47 -11.674 3.433 16.361 360 HG2 GLU 47 HG2 GLU 47 -11.254 3.748 18.738 361 HG3 GLU 47 HG3 GLU 47 -10.677 5.385 18.426 362 H GLU 48 H GLU 48 -10.514 1.604 15.464 363 HA GLU 48 HA GLU 48 -8.800 1.579 13.145 364 HB2 GLU 48 HB2 GLU 48 -9.615 -0.485 14.349 365 HB3 GLU 48 HB3 GLU 48 -11.217 -0.148 13.708 366 HG2 GLU 48 HG2 GLU 48 -9.992 -0.149 11.412 367 HG3 GLU 48 HG3 GLU 48 -8.763 -1.059 12.288 368 H ASN 49 H ASN 49 -11.809 2.897 14.004 369 HA ASN 49 HA ASN 49 -13.018 2.824 11.395 370 HB2 ASN 49 HB2 ASN 49 -14.232 2.805 13.652 371 HB3 ASN 49 HB3 ASN 49 -13.898 4.530 13.722 372 HD21 ASN 49 HD21 ASN 49 -14.700 2.660 10.843 373 HD22 ASN 49 HD22 ASN 49 -16.206 3.452 10.529 374 H GLU 50 H GLU 50 -10.483 4.489 12.432 375 HA GLU 50 HA GLU 50 -11.127 7.148 11.504 376 HB2 GLU 50 HB2 GLU 50 -9.392 6.469 13.309 377 HB3 GLU 50 HB3 GLU 50 -8.356 6.032 11.960 378 HG2 GLU 50 HG2 GLU 50 -7.673 8.174 12.507 379 HG3 GLU 50 HG3 GLU 50 -8.748 8.429 11.136 380 H SER 51 H SER 51 -9.872 8.125 9.664 381 HA SER 51 HA SER 51 -9.118 6.118 7.646 382 HB2 SER 51 HB2 SER 51 -11.252 7.305 7.079 383 HB3 SER 51 HB3 SER 51 -10.360 8.824 7.073 384 HG SER 51 HG SER 51 -10.229 6.653 5.280 385 H LEU 52 H LEU 52 -7.749 7.362 5.851 386 HA LEU 52 HA LEU 52 -5.682 8.860 7.320 387 HB2 LEU 52 HB2 LEU 52 -5.450 7.132 4.857 388 HB3 LEU 52 HB3 LEU 52 -4.139 8.098 5.506 389 HG LEU 52 HG LEU 52 -5.500 5.797 6.912 390 HD11 LEU 52 HD11 LEU 52 -3.343 4.678 6.638 391 HD12 LEU 52 HD12 LEU 52 -2.747 6.054 5.712 392 HD13 LEU 52 HD13 LEU 52 -4.071 5.073 5.081 393 HD21 LEU 52 HD21 LEU 52 -4.772 7.545 8.461 394 HD22 LEU 52 HD22 LEU 52 -3.155 7.488 7.759 395 HD23 LEU 52 HD23 LEU 52 -3.793 6.086 8.619 396 H ASP 53 H ASP 53 -8.001 9.082 4.848 397 HA ASP 53 HA ASP 53 -6.741 11.567 3.878 398 HB2 ASP 53 HB2 ASP 53 -7.094 9.732 2.173 399 HB3 ASP 53 HB3 ASP 53 -8.824 9.931 2.418 400 H ASP 54 H ASP 54 -8.684 10.692 6.110 401 HA ASP 54 HA ASP 54 -11.078 12.204 5.575 402 HB2 ASP 54 HB2 ASP 54 -10.659 10.136 7.203 403 HB3 ASP 54 HB3 ASP 54 -10.288 11.420 8.349 404 H GLN 55 H GLN 55 -11.644 13.769 7.595 405 HA GLN 55 HA GLN 55 -9.763 15.936 7.256 406 HB2 GLN 55 HB2 GLN 55 -12.285 16.166 7.243 407 HB3 GLN 55 HB3 GLN 55 -12.250 15.879 8.975 408 HG2 GLN 55 HG2 GLN 55 -10.432 17.992 8.154 409 HG3 GLN 55 HG3 GLN 55 -12.108 18.320 7.715 410 HE21 GLN 55 HE21 GLN 55 -9.855 17.885 10.311 411 HE22 GLN 55 HE22 GLN 55 -10.901 18.429 11.583 412 H ASN 56 H ASN 56 -10.395 13.475 9.552 413 HA ASN 56 HA ASN 56 -8.436 14.681 11.384 414 HB2 ASN 56 HB2 ASN 56 -10.984 13.254 12.185 415 HB3 ASN 56 HB3 ASN 56 -9.700 13.699 13.301 416 HD21 ASN 56 HD21 ASN 56 -12.321 14.819 11.341 417 HD22 ASN 56 HD22 ASN 56 -12.387 16.424 11.990 418 H ILE 57 H ILE 57 -6.771 13.386 11.792 419 HA ILE 57 HA ILE 57 -7.203 10.472 11.736 420 HB ILE 57 HB ILE 57 -4.727 11.901 10.734 421 HG12 ILE 57 HG12 ILE 57 -5.425 10.412 8.652 422 HG13 ILE 57 HG13 ILE 57 -7.027 10.596 9.359 423 HG21 ILE 57 HG21 ILE 57 -3.909 9.671 10.144 424 HG22 ILE 57 HG22 ILE 57 -5.312 8.957 10.940 425 HG23 ILE 57 HG23 ILE 57 -4.129 9.866 11.882 426 HD11 ILE 57 HD11 ILE 57 -6.830 12.998 9.228 427 HD12 ILE 57 HD12 ILE 57 -6.564 12.260 7.645 428 HD13 ILE 57 HD13 ILE 57 -5.192 12.840 8.591 429 H SER 58 H SER 58 -7.220 10.036 13.869 430 HA SER 58 HA SER 58 -5.404 11.482 15.636 431 HB2 SER 58 HB2 SER 58 -7.498 9.452 16.416 432 HB3 SER 58 HB3 SER 58 -6.766 10.699 17.427 433 HG SER 58 HG SER 58 -8.572 11.022 15.262 434 H ILE 59 H ILE 59 -3.555 10.681 16.352 435 HA ILE 59 HA ILE 59 -3.132 7.756 16.285 436 HB ILE 59 HB ILE 59 -0.912 9.795 16.099 437 HG12 ILE 59 HG12 ILE 59 -2.308 8.417 13.790 438 HG13 ILE 59 HG13 ILE 59 -2.408 10.135 14.165 439 HG21 ILE 59 HG21 ILE 59 -0.281 7.557 16.793 440 HG22 ILE 59 HG22 ILE 59 0.339 7.899 15.177 441 HG23 ILE 59 HG23 ILE 59 -1.082 6.873 15.379 442 HD11 ILE 59 HD11 ILE 59 0.005 10.346 13.749 443 HD12 ILE 59 HD12 ILE 59 -0.866 9.746 12.339 444 HD13 ILE 59 HD13 ILE 59 0.072 8.633 13.334 445 H ALA 60 H ALA 60 -2.219 6.828 18.156 446 HA ALA 60 HA ALA 60 -2.118 8.670 20.468 447 HB1 ALA 60 HB1 ALA 60 -3.098 6.935 21.831 448 HB2 ALA 60 HB2 ALA 60 -3.093 5.820 20.465 449 HB3 ALA 60 HB3 ALA 60 -4.128 7.247 20.434 450 H GLY 61 H GLY 61 -0.250 8.779 21.475 451 HA2 GLY 61 HA2 GLY 61 1.538 6.414 21.432 452 HA3 GLY 61 HA3 GLY 61 2.139 8.063 21.330 453 H HIS 62 H HIS 62 3.176 6.484 23.297 454 HA HIS 62 HA HIS 62 2.105 7.669 25.727 455 HB2 HIS 62 HB2 HIS 62 1.748 5.573 26.889 456 HB3 HIS 62 HB3 HIS 62 0.782 5.583 25.421 457 HD1 HIS 62 HD1 HIS 62 1.971 3.077 27.144 458 HD2 HIS 62 HD2 HIS 62 3.196 4.426 23.404 459 HE1 HIS 62 HE1 HIS 62 3.083 1.107 26.042 460 H THR 63 H THR 63 4.539 8.094 24.432 461 HA THR 63 HA THR 63 6.798 8.052 24.614 462 HB THR 63 HB THR 63 6.709 7.164 27.461 463 HG1 THR 63 HG1 THR 63 5.919 9.815 26.849 464 HG21 THR 63 HG21 THR 63 8.790 7.981 26.426 465 HG22 THR 63 HG22 THR 63 8.260 9.048 27.724 466 HG23 THR 63 HG23 THR 63 7.995 9.505 26.042 467 H PHE 64 H PHE 64 8.371 6.304 26.439 468 HA PHE 64 HA PHE 64 8.051 3.881 24.818 469 HB2 PHE 64 HB2 PHE 64 10.450 3.748 24.591 470 HB3 PHE 64 HB3 PHE 64 9.896 5.324 24.032 471 HD1 PHE 64 HD1 PHE 64 11.661 3.525 26.691 472 HD2 PHE 64 HD2 PHE 64 10.488 7.327 25.192 473 HE1 PHE 64 HE1 PHE 64 13.227 4.613 28.234 474 HE2 PHE 64 HE2 PHE 64 12.046 8.423 26.737 475 HZ PHE 64 HZ PHE 64 13.426 7.070 28.265 476 H ILE 65 H ILE 65 9.568 2.120 25.655 477 HA ILE 65 HA ILE 65 9.705 2.079 28.596 478 HB ILE 65 HB ILE 65 9.095 -0.296 26.817 479 HG12 ILE 65 HG12 ILE 65 7.253 1.056 28.794 480 HG13 ILE 65 HG13 ILE 65 7.239 1.402 27.067 481 HG21 ILE 65 HG21 ILE 65 8.705 -1.487 28.925 482 HG22 ILE 65 HG22 ILE 65 9.202 -0.052 29.822 483 HG23 ILE 65 HG23 ILE 65 10.365 -0.900 28.802 484 HD11 ILE 65 HD11 ILE 65 6.683 -0.915 26.603 485 HD12 ILE 65 HD12 ILE 65 5.495 -0.169 27.673 486 HD13 ILE 65 HD13 ILE 65 6.706 -1.272 28.329 487 H ASP 66 H ASP 66 10.835 0.436 25.653 488 HA ASP 66 HA ASP 66 13.602 0.733 26.590 489 HB2 ASP 66 HB2 ASP 66 12.792 -1.609 26.965 490 HB3 ASP 66 HB3 ASP 66 12.495 -1.743 25.238 491 H ARG 67 H ARG 67 12.555 2.564 25.003 492 HA ARG 67 HA ARG 67 13.709 2.034 22.369 493 HB2 ARG 67 HB2 ARG 67 10.871 2.912 22.884 494 HB3 ARG 67 HB3 ARG 67 11.680 3.211 21.354 495 HG2 ARG 67 HG2 ARG 67 11.343 0.475 22.552 496 HG3 ARG 67 HG3 ARG 67 10.215 1.196 21.399 497 HD2 ARG 67 HD2 ARG 67 12.120 1.481 19.818 498 HD3 ARG 67 HD3 ARG 67 13.131 0.586 20.950 499 HE ARG 67 HE ARG 67 11.358 -1.238 20.623 500 HH11 ARG 67 HH11 ARG 67 12.324 1.038 18.143 501 HH12 ARG 67 HH12 ARG 67 11.982 -0.044 16.832 502 HH21 ARG 67 HH21 ARG 67 10.932 -2.671 18.917 503 HH22 ARG 67 HH22 ARG 67 11.206 -2.166 17.267 504 HA PRO 68 HA PRO 68 14.939 6.237 23.559 505 HB2 PRO 68 HB2 PRO 68 17.237 6.309 22.218 506 HB3 PRO 68 HB3 PRO 68 17.093 5.354 23.702 507 HG2 PRO 68 HG2 PRO 68 16.900 4.447 20.844 508 HG3 PRO 68 HG3 PRO 68 17.852 3.740 22.169 509 HD2 PRO 68 HD2 PRO 68 15.423 2.761 21.428 510 HD3 PRO 68 HD3 PRO 68 16.010 2.698 23.103 511 H ASN 69 H ASN 69 14.286 4.736 20.547 512 HA ASN 69 HA ASN 69 13.590 7.255 19.331 513 HB2 ASN 69 HB2 ASN 69 16.118 6.710 18.915 514 HB3 ASN 69 HB3 ASN 69 15.483 5.545 17.760 515 HD21 ASN 69 HD21 ASN 69 15.934 8.860 18.522 516 HD22 ASN 69 HD22 ASN 69 15.479 9.510 16.980 517 H TYR 70 H TYR 70 11.540 6.121 19.550 518 HA TYR 70 HA TYR 70 11.118 4.502 17.129 519 HB2 TYR 70 HB2 TYR 70 9.523 3.153 18.156 520 HB3 TYR 70 HB3 TYR 70 10.659 3.391 19.476 521 HD1 TYR 70 HD1 TYR 70 10.108 5.291 21.137 522 HD2 TYR 70 HD2 TYR 70 7.276 3.627 18.449 523 HE1 TYR 70 HE1 TYR 70 8.294 6.197 22.509 524 HE2 TYR 70 HE2 TYR 70 5.443 4.512 19.819 525 HH TYR 70 HH TYR 70 5.956 6.823 22.273 526 H GLN 71 H GLN 71 8.485 4.761 16.735 527 HA GLN 71 HA GLN 71 8.108 7.035 15.389 528 HB2 GLN 71 HB2 GLN 71 6.033 5.490 16.927 529 HB3 GLN 71 HB3 GLN 71 5.629 6.770 15.794 530 HG2 GLN 71 HG2 GLN 71 5.632 5.267 14.175 531 HG3 GLN 71 HG3 GLN 71 7.364 5.063 14.418 532 HE21 GLN 71 HE21 GLN 71 8.129 3.274 15.535 533 HE22 GLN 71 HE22 GLN 71 7.107 1.926 15.919 534 H PHE 72 H PHE 72 6.518 6.822 18.613 535 HA PHE 72 HA PHE 72 6.661 9.758 18.649 536 HB2 PHE 72 HB2 PHE 72 4.724 7.848 19.948 537 HB3 PHE 72 HB3 PHE 72 4.820 9.543 20.405 538 HD1 PHE 72 HD1 PHE 72 5.261 8.359 16.941 539 HD2 PHE 72 HD2 PHE 72 2.596 10.099 19.766 540 HE1 PHE 72 HE1 PHE 72 3.708 8.919 15.122 541 HE2 PHE 72 HE2 PHE 72 1.037 10.658 17.948 542 HZ PHE 72 HZ PHE 72 1.596 10.066 15.623 543 H THR 73 H THR 73 8.902 9.525 19.406 544 HA THR 73 HA THR 73 9.015 9.050 22.326 545 HB THR 73 HB THR 73 11.490 9.234 20.663 546 HG1 THR 73 HG1 THR 73 10.229 7.702 19.553 547 HG21 THR 73 HG21 THR 73 10.751 7.593 23.079 548 HG22 THR 73 HG22 THR 73 11.659 9.104 23.097 549 HG23 THR 73 HG23 THR 73 12.348 7.671 22.333 550 H ASN 74 H ASN 74 10.527 10.967 19.749 551 HA ASN 74 HA ASN 74 11.223 13.027 21.709 552 HB2 ASN 74 HB2 ASN 74 12.978 11.957 20.245 553 HB3 ASN 74 HB3 ASN 74 12.189 12.701 18.861 554 HD21 ASN 74 HD21 ASN 74 13.884 13.944 18.287 555 HD22 ASN 74 HD22 ASN 74 14.467 15.280 19.223 556 H LEU 75 H LEU 75 8.541 12.594 20.384 557 HA LEU 75 HA LEU 75 8.129 14.544 18.382 558 HB2 LEU 75 HB2 LEU 75 6.611 12.648 18.766 559 HB3 LEU 75 HB3 LEU 75 6.138 13.341 20.305 560 HG LEU 75 HG LEU 75 5.105 15.239 19.175 561 HD11 LEU 75 HD11 LEU 75 6.627 15.386 17.268 562 HD12 LEU 75 HD12 LEU 75 4.944 15.321 16.748 563 HD13 LEU 75 HD13 LEU 75 5.962 13.886 16.621 564 HD21 LEU 75 HD21 LEU 75 3.278 14.066 18.082 565 HD22 LEU 75 HD22 LEU 75 3.777 13.220 19.546 566 HD23 LEU 75 HD23 LEU 75 4.266 12.611 17.965 567 H LYS 76 H LYS 76 8.352 14.742 21.811 568 HA LYS 76 HA LYS 76 6.958 17.178 22.156 569 HB2 LYS 76 HB2 LYS 76 8.305 17.298 24.327 570 HB3 LYS 76 HB3 LYS 76 7.231 15.925 24.113 571 HG2 LYS 76 HG2 LYS 76 9.184 15.036 25.034 572 HG3 LYS 76 HG3 LYS 76 9.272 14.635 23.325 573 HD2 LYS 76 HD2 LYS 76 10.793 16.522 22.965 574 HD3 LYS 76 HD3 LYS 76 10.696 16.925 24.682 575 HE2 LYS 76 HE2 LYS 76 11.600 14.679 25.212 576 HE3 LYS 76 HE3 LYS 76 11.788 14.381 23.486 577 HZ1 LYS 76 HZ1 LYS 76 13.100 16.597 24.960 578 HZ2 LYS 76 HZ2 LYS 76 13.358 16.174 23.341 579 HZ3 LYS 76 HZ3 LYS 76 13.847 15.123 24.579 580 H ALA 77 H ALA 77 9.947 16.539 20.710 581 HA ALA 77 HA ALA 77 11.051 19.169 21.294 582 HB1 ALA 77 HB1 ALA 77 12.978 18.450 19.997 583 HB2 ALA 77 HB2 ALA 77 12.117 16.990 19.505 584 HB3 ALA 77 HB3 ALA 77 12.546 17.231 21.198 585 H ALA 78 H ALA 78 8.608 18.360 19.478 586 HA ALA 78 HA ALA 78 9.398 19.611 16.962 587 HB1 ALA 78 HB1 ALA 78 8.067 17.603 16.813 588 HB2 ALA 78 HB2 ALA 78 7.109 18.973 16.247 589 HB3 ALA 78 HB3 ALA 78 6.832 18.305 17.858 590 H LYS 79 H LYS 79 8.701 21.501 16.226 591 HA LYS 79 HA LYS 79 7.155 23.185 18.067 592 HB2 LYS 79 HB2 LYS 79 9.177 23.914 15.947 593 HB3 LYS 79 HB3 LYS 79 8.179 25.094 16.785 594 HG2 LYS 79 HG2 LYS 79 10.120 25.157 18.015 595 HG3 LYS 79 HG3 LYS 79 9.143 24.006 18.922 596 HD2 LYS 79 HD2 LYS 79 10.289 22.157 17.795 597 HD3 LYS 79 HD3 LYS 79 11.308 23.325 16.948 598 HE2 LYS 79 HE2 LYS 79 12.253 24.095 19.014 599 HE3 LYS 79 HE3 LYS 79 11.114 23.127 19.949 600 HZ1 LYS 79 HZ1 LYS 79 12.132 21.133 19.056 601 HZ2 LYS 79 HZ2 LYS 79 13.287 22.088 19.853 602 HZ3 LYS 79 HZ3 LYS 79 13.231 22.058 18.160 603 H LYS 80 H LYS 80 6.180 25.138 16.589 604 HA LYS 80 HA LYS 80 3.910 23.995 15.463 605 HB2 LYS 80 HB2 LYS 80 3.388 26.287 14.622 606 HB3 LYS 80 HB3 LYS 80 3.762 26.191 16.335 607 HG2 LYS 80 HG2 LYS 80 6.018 27.027 15.883 608 HG3 LYS 80 HG3 LYS 80 5.625 27.138 14.166 609 HD2 LYS 80 HD2 LYS 80 5.399 29.313 15.230 610 HD3 LYS 80 HD3 LYS 80 3.825 28.724 14.691 611 HE2 LYS 80 HE2 LYS 80 3.414 27.905 17.007 612 HE3 LYS 80 HE3 LYS 80 4.919 28.679 17.501 613 HZ1 LYS 80 HZ1 LYS 80 3.071 30.111 17.986 614 HZ2 LYS 80 HZ2 LYS 80 2.521 30.030 16.384 615 HZ3 LYS 80 HZ3 LYS 80 3.986 30.807 16.738 616 H GLY 81 H GLY 81 6.781 25.258 13.763 617 HA2 GLY 81 HA2 GLY 81 5.567 24.275 11.266 618 HA3 GLY 81 HA3 GLY 81 6.988 25.317 11.377 619 H SER 82 H SER 82 6.166 22.256 12.936 620 HA SER 82 HA SER 82 8.772 21.220 12.761 621 HB2 SER 82 HB2 SER 82 6.848 20.637 14.376 622 HB3 SER 82 HB3 SER 82 6.294 19.545 13.107 623 HG SER 82 HG SER 82 8.781 19.508 14.467 624 H MET 83 H MET 83 6.325 21.390 10.434 625 HA MET 83 HA MET 83 5.836 20.376 8.472 626 HB2 MET 83 HB2 MET 83 8.813 20.349 8.576 627 HB3 MET 83 HB3 MET 83 8.007 19.482 7.275 628 HG2 MET 83 HG2 MET 83 7.030 22.209 7.730 629 HG3 MET 83 HG3 MET 83 8.702 22.092 7.194 630 HE1 MET 83 HE1 MET 83 5.138 20.311 4.818 631 HE2 MET 83 HE2 MET 83 4.872 21.517 6.082 632 HE3 MET 83 HE3 MET 83 5.519 19.928 6.503 633 H VAL 84 H VAL 84 4.596 18.734 9.276 634 HA VAL 84 HA VAL 84 5.821 16.176 9.899 635 HB VAL 84 HB VAL 84 2.909 16.977 9.824 636 HG11 VAL 84 HG11 VAL 84 3.234 14.572 9.544 637 HG12 VAL 84 HG12 VAL 84 2.508 14.945 11.107 638 HG13 VAL 84 HG13 VAL 84 4.220 14.536 11.006 639 HG21 VAL 84 HG21 VAL 84 4.791 16.726 12.161 640 HG22 VAL 84 HG22 VAL 84 3.065 17.073 12.259 641 HG23 VAL 84 HG23 VAL 84 4.156 18.231 11.498 642 H TYR 85 H TYR 85 6.331 14.853 8.289 643 HA TYR 85 HA TYR 85 4.766 14.948 5.805 644 HB2 TYR 85 HB2 TYR 85 7.442 13.631 6.345 645 HB3 TYR 85 HB3 TYR 85 6.639 13.734 4.782 646 HD1 TYR 85 HD1 TYR 85 6.171 16.119 3.876 647 HD2 TYR 85 HD2 TYR 85 8.949 15.275 6.987 648 HE1 TYR 85 HE1 TYR 85 7.303 18.259 3.441 649 HE2 TYR 85 HE2 TYR 85 10.088 17.409 6.559 650 HH TYR 85 HH TYR 85 8.747 19.868 4.710 651 H PHE 86 H PHE 86 3.076 13.617 5.955 652 HA PHE 86 HA PHE 86 3.425 11.018 7.265 653 HB2 PHE 86 HB2 PHE 86 1.479 12.560 7.830 654 HB3 PHE 86 HB3 PHE 86 0.848 12.205 6.227 655 HD1 PHE 86 HD1 PHE 86 2.531 9.878 8.572 656 HD2 PHE 86 HD2 PHE 86 -1.112 11.039 6.707 657 HE1 PHE 86 HE1 PHE 86 1.432 7.871 9.479 658 HE2 PHE 86 HE2 PHE 86 -2.216 9.035 7.604 659 HZ PHE 86 HZ PHE 86 -0.945 7.447 8.994 660 H LYS 87 H LYS 87 4.184 9.517 5.954 661 HA LYS 87 HA LYS 87 3.680 9.672 3.090 662 HB2 LYS 87 HB2 LYS 87 5.414 7.739 4.635 663 HB3 LYS 87 HB3 LYS 87 5.404 7.974 2.895 664 HG2 LYS 87 HG2 LYS 87 6.251 10.002 4.947 665 HG3 LYS 87 HG3 LYS 87 7.322 9.046 3.920 666 HD2 LYS 87 HD2 LYS 87 6.251 10.078 1.935 667 HD3 LYS 87 HD3 LYS 87 5.315 11.106 3.022 668 HE2 LYS 87 HE2 LYS 87 7.275 12.278 2.162 669 HE3 LYS 87 HE3 LYS 87 7.373 12.060 3.909 670 HZ1 LYS 87 HZ1 LYS 87 9.466 11.595 2.685 671 HZ2 LYS 87 HZ2 LYS 87 8.704 10.266 1.955 672 HZ3 LYS 87 HZ3 LYS 87 8.925 10.300 3.640 673 H VAL 88 H VAL 88 1.550 8.992 2.884 674 HA VAL 88 HA VAL 88 0.874 6.342 3.890 675 HB VAL 88 HB VAL 88 -1.381 6.831 2.794 676 HG11 VAL 88 HG11 VAL 88 -0.998 6.993 5.192 677 HG12 VAL 88 HG12 VAL 88 -2.082 8.271 4.646 678 HG13 VAL 88 HG13 VAL 88 -0.394 8.639 4.997 679 HG21 VAL 88 HG21 VAL 88 -0.191 9.599 2.649 680 HG22 VAL 88 HG22 VAL 88 -1.889 9.195 2.391 681 HG23 VAL 88 HG23 VAL 88 -0.657 8.594 1.279 682 H GLY 89 H GLY 89 2.071 4.957 2.719 683 HA2 GLY 89 HA2 GLY 89 2.475 3.518 0.958 684 HA3 GLY 89 HA3 GLY 89 1.222 4.350 0.046 685 H ASN 90 H ASN 90 1.757 6.142 -1.205 686 HA ASN 90 HA ASN 90 4.620 6.782 -1.428 687 HB2 ASN 90 HB2 ASN 90 2.757 5.859 -3.512 688 HB3 ASN 90 HB3 ASN 90 3.712 7.266 -3.956 689 HD21 ASN 90 HD21 ASN 90 4.897 4.841 -1.740 690 HD22 ASN 90 HD22 ASN 90 6.072 4.162 -2.812 691 H GLU 91 H GLU 91 1.726 7.865 -0.538 692 HA GLU 91 HA GLU 91 1.809 10.439 -1.897 693 HB2 GLU 91 HB2 GLU 91 -0.200 9.394 0.105 694 HB3 GLU 91 HB3 GLU 91 -0.369 10.832 -0.893 695 HG2 GLU 91 HG2 GLU 91 -0.243 7.988 -1.874 696 HG3 GLU 91 HG3 GLU 91 -1.684 8.998 -1.778 697 H THR 92 H THR 92 2.889 12.066 -1.045 698 HA THR 92 HA THR 92 3.641 11.996 1.770 699 HB THR 92 HB THR 92 4.464 13.953 -0.388 700 HG1 THR 92 HG1 THR 92 5.802 12.450 -1.006 701 HG21 THR 92 HG21 THR 92 5.630 13.409 2.347 702 HG22 THR 92 HG22 THR 92 4.725 14.848 1.872 703 HG23 THR 92 HG23 THR 92 6.297 14.513 1.144 704 H ARG 93 H ARG 93 2.052 12.726 3.051 705 HA ARG 93 HA ARG 93 0.604 15.156 2.307 706 HB2 ARG 93 HB2 ARG 93 0.254 13.460 4.786 707 HB3 ARG 93 HB3 ARG 93 -0.851 14.679 4.168 708 HG2 ARG 93 HG2 ARG 93 -0.193 12.057 2.845 709 HG3 ARG 93 HG3 ARG 93 -1.672 12.440 3.725 710 HD2 ARG 93 HD2 ARG 93 -0.718 13.846 1.233 711 HD3 ARG 93 HD3 ARG 93 -1.938 12.576 1.271 712 HE ARG 93 HE ARG 93 -2.236 15.276 2.432 713 HH11 ARG 93 HH11 ARG 93 -3.619 12.268 1.282 714 HH12 ARG 93 HH12 ARG 93 -5.257 12.851 1.300 715 HH21 ARG 93 HH21 ARG 93 -4.370 16.072 2.431 716 HH22 ARG 93 HH22 ARG 93 -5.675 15.036 1.906 717 H LYS 94 H LYS 94 0.884 17.090 3.356 718 HA LYS 94 HA LYS 94 3.100 17.167 5.292 719 HB2 LYS 94 HB2 LYS 94 3.515 19.510 4.500 720 HB3 LYS 94 HB3 LYS 94 3.878 18.271 3.319 721 HG2 LYS 94 HG2 LYS 94 1.292 19.810 3.337 722 HG3 LYS 94 HG3 LYS 94 2.729 20.350 2.472 723 HD2 LYS 94 HD2 LYS 94 2.706 18.363 1.101 724 HD3 LYS 94 HD3 LYS 94 1.371 17.689 2.037 725 HE2 LYS 94 HE2 LYS 94 1.265 20.202 0.374 726 HE3 LYS 94 HE3 LYS 94 0.613 18.634 -0.098 727 HZ1 LYS 94 HZ1 LYS 94 -1.144 19.993 0.748 728 HZ2 LYS 94 HZ2 LYS 94 -0.288 20.329 2.170 729 HZ3 LYS 94 HZ3 LYS 94 -0.857 18.753 1.874 730 H TYR 95 H TYR 95 2.533 17.704 7.251 731 HA TYR 95 HA TYR 95 0.177 19.441 7.602 732 HB2 TYR 95 HB2 TYR 95 1.193 17.302 9.483 733 HB3 TYR 95 HB3 TYR 95 -0.231 18.302 9.727 734 HD1 TYR 95 HD1 TYR 95 1.179 15.480 7.860 735 HD2 TYR 95 HD2 TYR 95 -2.280 17.860 8.518 736 HE1 TYR 95 HE1 TYR 95 -0.191 13.805 6.693 737 HE2 TYR 95 HE2 TYR 95 -3.658 16.192 7.354 738 HH TYR 95 HH TYR 95 -2.621 13.097 6.671 739 H LYS 96 H LYS 96 0.297 21.088 9.108 740 HA LYS 96 HA LYS 96 2.993 21.654 10.167 741 HB2 LYS 96 HB2 LYS 96 1.329 23.246 8.601 742 HB3 LYS 96 HB3 LYS 96 1.089 23.870 10.227 743 HG2 LYS 96 HG2 LYS 96 2.829 25.098 9.059 744 HG3 LYS 96 HG3 LYS 96 3.495 24.234 10.448 745 HD2 LYS 96 HD2 LYS 96 4.869 23.042 9.146 746 HD3 LYS 96 HD3 LYS 96 3.565 22.626 8.033 747 HE2 LYS 96 HE2 LYS 96 5.228 23.837 6.812 748 HE3 LYS 96 HE3 LYS 96 3.817 24.871 6.994 749 HZ1 LYS 96 HZ1 LYS 96 5.703 26.193 7.410 750 HZ2 LYS 96 HZ2 LYS 96 6.392 25.051 8.451 751 HZ3 LYS 96 HZ3 LYS 96 5.005 25.904 8.929 752 H MET 97 H MET 97 3.220 22.102 12.360 753 HA MET 97 HA MET 97 1.089 21.046 14.023 754 HB2 MET 97 HB2 MET 97 3.886 22.009 14.632 755 HB3 MET 97 HB3 MET 97 2.766 21.490 15.882 756 HG2 MET 97 HG2 MET 97 3.679 19.768 13.592 757 HG3 MET 97 HG3 MET 97 4.408 19.766 15.197 758 HE1 MET 97 HE1 MET 97 4.056 17.275 15.788 759 HE2 MET 97 HE2 MET 97 3.560 17.053 14.110 760 HE3 MET 97 HE3 MET 97 2.582 16.383 15.416 761 H THR 98 H THR 98 -0.319 22.893 13.356 762 HA THR 98 HA THR 98 0.429 25.537 14.163 763 HB THR 98 HB THR 98 -0.885 25.462 12.225 764 HG1 THR 98 HG1 THR 98 -3.090 26.293 13.233 765 HG21 THR 98 HG21 THR 98 -2.826 23.734 13.747 766 HG22 THR 98 HG22 THR 98 -1.814 23.265 12.377 767 HG23 THR 98 HG23 THR 98 -3.136 24.412 12.149 768 H SER 99 H SER 99 -1.200 22.919 15.715 769 HA SER 99 HA SER 99 -1.754 24.723 17.961 770 HB2 SER 99 HB2 SER 99 -3.600 22.543 16.980 771 HB3 SER 99 HB3 SER 99 -3.848 23.512 18.431 772 HG SER 99 HG SER 99 -3.388 25.013 16.194 773 H ILE 100 H ILE 100 -0.173 24.125 19.297 774 HA ILE 100 HA ILE 100 0.048 21.267 20.003 775 HB ILE 100 HB ILE 100 2.195 23.396 20.134 776 HG12 ILE 100 HG12 ILE 100 2.022 20.917 18.406 777 HG13 ILE 100 HG13 ILE 100 1.733 22.560 17.845 778 HG21 ILE 100 HG21 ILE 100 2.310 20.477 20.878 779 HG22 ILE 100 HG22 ILE 100 2.384 21.844 21.990 780 HG23 ILE 100 HG23 ILE 100 3.688 21.577 20.832 781 HD11 ILE 100 HD11 ILE 100 4.327 21.500 18.941 782 HD12 ILE 100 HD12 ILE 100 4.041 23.148 18.381 783 HD13 ILE 100 HD13 ILE 100 3.958 21.804 17.243 784 H ARG 101 H ARG 101 -0.641 20.822 22.030 785 HA ARG 101 HA ARG 101 0.233 22.522 24.188 786 HB2 ARG 101 HB2 ARG 101 -1.883 23.095 25.118 787 HB3 ARG 101 HB3 ARG 101 -1.914 23.590 23.433 788 HG2 ARG 101 HG2 ARG 101 -3.191 21.559 22.886 789 HG3 ARG 101 HG3 ARG 101 -3.204 21.133 24.600 790 HD2 ARG 101 HD2 ARG 101 -4.454 23.542 23.296 791 HD3 ARG 101 HD3 ARG 101 -5.283 22.195 24.071 792 HE ARG 101 HE ARG 101 -3.529 23.988 25.624 793 HH11 ARG 101 HH11 ARG 101 -6.704 22.627 25.012 794 HH12 ARG 101 HH12 ARG 101 -7.359 23.154 26.534 795 HH21 ARG 101 HH21 ARG 101 -4.399 24.742 27.571 796 HH22 ARG 101 HH22 ARG 101 -6.049 24.391 27.980 797 H ASP 102 H ASP 102 -0.835 21.583 26.332 798 HA ASP 102 HA ASP 102 -0.913 18.663 26.101 799 HB2 ASP 102 HB2 ASP 102 0.651 18.403 27.993 800 HB3 ASP 102 HB3 ASP 102 1.416 19.166 26.606 801 H VAL 103 H VAL 103 -2.398 17.740 27.341 802 HA VAL 103 HA VAL 103 -3.687 19.407 29.392 803 HB VAL 103 HB VAL 103 -5.889 18.527 28.656 804 HG11 VAL 103 HG11 VAL 103 -4.369 20.025 26.528 805 HG12 VAL 103 HG12 VAL 103 -5.122 20.739 27.952 806 HG13 VAL 103 HG13 VAL 103 -6.122 19.978 26.714 807 HG21 VAL 103 HG21 VAL 103 -6.101 17.492 26.451 808 HG22 VAL 103 HG22 VAL 103 -5.099 16.506 27.518 809 HG23 VAL 103 HG23 VAL 103 -4.346 17.502 26.272 810 H LYS 104 H LYS 104 -5.456 17.916 30.482 811 HA LYS 104 HA LYS 104 -4.003 15.564 31.434 812 HB2 LYS 104 HB2 LYS 104 -5.630 15.729 33.392 813 HB3 LYS 104 HB3 LYS 104 -4.383 16.956 33.278 814 HG2 LYS 104 HG2 LYS 104 -7.057 17.502 32.087 815 HG3 LYS 104 HG3 LYS 104 -6.853 17.592 33.838 816 HD2 LYS 104 HD2 LYS 104 -5.011 19.190 33.522 817 HD3 LYS 104 HD3 LYS 104 -5.266 19.120 31.778 818 HE2 LYS 104 HE2 LYS 104 -7.532 19.985 32.068 819 HE3 LYS 104 HE3 LYS 104 -7.301 20.026 33.816 820 HZ1 LYS 104 HZ1 LYS 104 -5.452 21.606 33.428 821 HZ2 LYS 104 HZ2 LYS 104 -6.966 22.201 32.958 822 HZ3 LYS 104 HZ3 LYS 104 -5.870 21.656 31.787 823 HA PRO 105 HA PRO 105 -6.933 12.708 29.826 824 HB2 PRO 105 HB2 PRO 105 -7.409 11.072 31.990 825 HB3 PRO 105 HB3 PRO 105 -5.993 10.954 30.939 826 HG2 PRO 105 HG2 PRO 105 -6.273 12.273 33.607 827 HG3 PRO 105 HG3 PRO 105 -4.934 11.301 32.971 828 HD2 PRO 105 HD2 PRO 105 -4.800 13.976 33.065 829 HD3 PRO 105 HD3 PRO 105 -4.081 13.060 31.724 830 H THR 106 H THR 106 -7.720 14.625 32.560 831 HA THR 106 HA THR 106 -10.524 13.797 32.487 832 HB THR 106 HB THR 106 -9.438 14.000 34.697 833 HG1 THR 106 HG1 THR 106 -11.688 14.334 34.551 834 HG21 THR 106 HG21 THR 106 -9.300 16.948 34.064 835 HG22 THR 106 HG22 THR 106 -7.921 15.856 34.198 836 HG23 THR 106 HG23 THR 106 -8.915 16.201 35.615 837 H ASP 107 H ASP 107 -8.553 16.043 31.003 838 HA ASP 107 HA ASP 107 -10.529 18.167 30.809 839 HB2 ASP 107 HB2 ASP 107 -8.042 18.619 30.805 840 HB3 ASP 107 HB3 ASP 107 -7.965 17.845 29.228 841 H VAL 108 H VAL 108 -12.300 17.532 29.687 842 HA VAL 108 HA VAL 108 -11.895 15.739 27.404 843 HB VAL 108 HB VAL 108 -14.294 15.216 27.608 844 HG11 VAL 108 HG11 VAL 108 -14.150 13.963 29.706 845 HG12 VAL 108 HG12 VAL 108 -12.739 14.911 30.175 846 HG13 VAL 108 HG13 VAL 108 -12.659 13.841 28.775 847 HG21 VAL 108 HG21 VAL 108 -15.571 15.992 29.525 848 HG22 VAL 108 HG22 VAL 108 -15.038 17.359 28.545 849 HG23 VAL 108 HG23 VAL 108 -14.210 16.979 30.056 850 H GLU 109 H GLU 109 -11.918 18.883 27.692 851 HA GLU 109 HA GLU 109 -14.043 19.455 25.785 852 HB2 GLU 109 HB2 GLU 109 -12.208 21.355 27.247 853 HB3 GLU 109 HB3 GLU 109 -13.599 21.809 26.270 854 HG2 GLU 109 HG2 GLU 109 -14.990 20.396 27.843 855 HG3 GLU 109 HG3 GLU 109 -13.569 20.342 28.884 856 H VAL 110 H VAL 110 -10.703 18.881 25.824 857 HA VAL 110 HA VAL 110 -10.029 20.432 23.509 858 HB VAL 110 HB VAL 110 -7.927 19.108 23.479 859 HG11 VAL 110 HG11 VAL 110 -7.050 20.008 25.574 860 HG12 VAL 110 HG12 VAL 110 -8.697 20.265 26.154 861 HG13 VAL 110 HG13 VAL 110 -8.100 21.168 24.762 862 HG21 VAL 110 HG21 VAL 110 -9.163 17.735 25.863 863 HG22 VAL 110 HG22 VAL 110 -7.470 17.607 25.388 864 HG23 VAL 110 HG23 VAL 110 -8.734 16.994 24.322 865 H LEU 111 H LEU 111 -11.423 17.321 24.020 866 HA LEU 111 HA LEU 111 -10.854 16.531 21.270 867 HB2 LEU 111 HB2 LEU 111 -11.994 14.362 21.977 868 HB3 LEU 111 HB3 LEU 111 -10.408 14.711 22.627 869 HG LEU 111 HG LEU 111 -12.785 15.475 24.258 870 HD11 LEU 111 HD11 LEU 111 -11.696 12.670 24.041 871 HD12 LEU 111 HD12 LEU 111 -13.283 13.199 23.485 872 HD13 LEU 111 HD13 LEU 111 -12.896 13.232 25.205 873 HD21 LEU 111 HD21 LEU 111 -10.016 14.427 24.823 874 HD22 LEU 111 HD22 LEU 111 -11.220 14.780 26.059 875 HD23 LEU 111 HD23 LEU 111 -10.589 16.078 25.045 876 H ASP 112 H ASP 112 -12.657 18.691 21.838 877 HA ASP 112 HA ASP 112 -15.331 17.847 21.305 878 HB2 ASP 112 HB2 ASP 112 -14.464 20.156 22.158 879 HB3 ASP 112 HB3 ASP 112 -14.201 20.507 20.453 880 H GLU 113 H GLU 113 -16.382 18.602 19.125 881 HA GLU 113 HA GLU 113 -15.142 17.051 17.106 882 HB2 GLU 113 HB2 GLU 113 -16.986 17.944 15.645 883 HB3 GLU 113 HB3 GLU 113 -17.509 17.116 17.104 884 HG2 GLU 113 HG2 GLU 113 -17.917 19.257 18.186 885 HG3 GLU 113 HG3 GLU 113 -17.356 20.101 16.742 886 H GLN 114 H GLN 114 -13.337 17.670 16.184 887 HA GLN 114 HA GLN 114 -12.659 20.449 15.848 888 HB2 GLN 114 HB2 GLN 114 -11.197 17.901 15.153 889 HB3 GLN 114 HB3 GLN 114 -10.522 19.515 14.954 890 HG2 GLN 114 HG2 GLN 114 -11.478 18.362 17.560 891 HG3 GLN 114 HG3 GLN 114 -9.796 18.395 17.027 892 HE21 GLN 114 HE21 GLN 114 -11.135 19.640 19.337 893 HE22 GLN 114 HE22 GLN 114 -10.795 21.337 19.225 894 H LYS 115 H LYS 115 -14.872 19.873 14.392 895 HA LYS 115 HA LYS 115 -14.209 19.501 11.635 896 HB2 LYS 115 HB2 LYS 115 -16.607 20.263 11.309 897 HB3 LYS 115 HB3 LYS 115 -16.370 18.805 12.254 898 HG2 LYS 115 HG2 LYS 115 -18.055 20.042 13.331 899 HG3 LYS 115 HG3 LYS 115 -16.606 20.216 14.316 900 HD2 LYS 115 HD2 LYS 115 -16.215 22.424 13.416 901 HD3 LYS 115 HD3 LYS 115 -17.565 22.239 12.295 902 HE2 LYS 115 HE2 LYS 115 -17.722 22.343 15.304 903 HE3 LYS 115 HE3 LYS 115 -18.237 23.600 14.179 904 HZ1 LYS 115 HZ1 LYS 115 -19.443 20.921 14.593 905 HZ2 LYS 115 HZ2 LYS 115 -19.818 21.896 13.255 906 HZ3 LYS 115 HZ3 LYS 115 -20.167 22.440 14.826 907 H GLY 116 H GLY 116 -15.160 21.334 10.091 908 HA2 GLY 116 HA2 GLY 116 -14.864 23.472 9.270 909 HA3 GLY 116 HA3 GLY 116 -14.654 24.022 10.927 910 H LYS 117 H LYS 117 -12.636 21.453 10.135 911 HA LYS 117 HA LYS 117 -10.352 23.266 9.737 912 HB2 LYS 117 HB2 LYS 117 -10.555 20.501 10.934 913 HB3 LYS 117 HB3 LYS 117 -9.021 21.261 10.539 914 HG2 LYS 117 HG2 LYS 117 -10.928 22.726 12.281 915 HG3 LYS 117 HG3 LYS 117 -10.021 21.371 12.956 916 HD2 LYS 117 HD2 LYS 117 -7.922 22.443 12.203 917 HD3 LYS 117 HD3 LYS 117 -8.862 23.812 11.609 918 HE2 LYS 117 HE2 LYS 117 -7.830 24.160 13.859 919 HE3 LYS 117 HE3 LYS 117 -9.578 24.381 13.812 920 HZ1 LYS 117 HZ1 LYS 117 -8.794 23.087 15.743 921 HZ2 LYS 117 HZ2 LYS 117 -8.238 21.884 14.692 922 HZ3 LYS 117 HZ3 LYS 117 -9.891 22.234 14.779 923 H ASP 118 H ASP 118 -8.492 21.656 8.776 924 HA ASP 118 HA ASP 118 -9.627 20.396 6.370 925 HB2 ASP 118 HB2 ASP 118 -7.995 22.415 6.167 926 HB3 ASP 118 HB3 ASP 118 -6.752 21.261 6.643 927 H LYS 119 H LYS 119 -7.287 18.877 5.728 928 HA LYS 119 HA LYS 119 -7.642 16.633 7.414 929 HB2 LYS 119 HB2 LYS 119 -5.665 17.340 5.275 930 HB3 LYS 119 HB3 LYS 119 -5.374 15.932 6.286 931 HG2 LYS 119 HG2 LYS 119 -6.466 15.276 4.241 932 HG3 LYS 119 HG3 LYS 119 -7.543 15.012 5.612 933 HD2 LYS 119 HD2 LYS 119 -9.031 16.041 4.261 934 HD3 LYS 119 HD3 LYS 119 -8.288 17.491 4.940 935 HE2 LYS 119 HE2 LYS 119 -7.468 16.172 2.349 936 HE3 LYS 119 HE3 LYS 119 -8.525 17.575 2.472 937 HZ1 LYS 119 HZ1 LYS 119 -5.672 17.446 3.310 938 HZ2 LYS 119 HZ2 LYS 119 -6.687 18.786 3.524 939 HZ3 LYS 119 HZ3 LYS 119 -6.293 18.263 1.962 940 H GLN 120 H GLN 120 -7.069 16.607 9.485 941 HA GLN 120 HA GLN 120 -4.440 17.756 10.151 942 HB2 GLN 120 HB2 GLN 120 -5.271 18.519 12.279 943 HB3 GLN 120 HB3 GLN 120 -6.275 19.178 10.997 944 HG2 GLN 120 HG2 GLN 120 -8.009 17.568 11.471 945 HG3 GLN 120 HG3 GLN 120 -6.987 16.783 12.675 946 HE21 GLN 120 HE21 GLN 120 -8.357 17.111 14.364 947 HE22 GLN 120 HE22 GLN 120 -8.685 18.669 15.033 948 H LEU 121 H LEU 121 -3.139 16.667 11.520 949 HA LEU 121 HA LEU 121 -3.946 13.943 12.218 950 HB2 LEU 121 HB2 LEU 121 -1.242 15.284 12.378 951 HB3 LEU 121 HB3 LEU 121 -1.564 13.610 12.779 952 HG LEU 121 HG LEU 121 -1.735 14.874 10.046 953 HD11 LEU 121 HD11 LEU 121 0.529 14.448 10.780 954 HD12 LEU 121 HD12 LEU 121 0.073 13.287 9.532 955 HD13 LEU 121 HD13 LEU 121 0.101 12.796 11.227 956 HD21 LEU 121 HD21 LEU 121 -3.511 13.237 10.305 957 HD22 LEU 121 HD22 LEU 121 -2.352 12.049 10.901 958 HD23 LEU 121 HD23 LEU 121 -2.253 12.621 9.235 959 H THR 122 H THR 122 -4.569 13.481 14.211 960 HA THR 122 HA THR 122 -4.086 15.450 16.322 961 HB THR 122 HB THR 122 -5.845 12.990 16.484 962 HG1 THR 122 HG1 THR 122 -7.426 14.109 15.562 963 HG21 THR 122 HG21 THR 122 -6.940 14.229 18.290 964 HG22 THR 122 HG22 THR 122 -5.820 15.570 18.056 965 HG23 THR 122 HG23 THR 122 -5.222 14.012 18.626 966 H LEU 123 H LEU 123 -1.961 15.033 16.876 967 HA LEU 123 HA LEU 123 -1.145 12.303 17.459 968 HB2 LEU 123 HB2 LEU 123 0.385 14.890 17.701 969 HB3 LEU 123 HB3 LEU 123 1.059 13.300 17.963 970 HG LEU 123 HG LEU 123 1.802 13.851 15.848 971 HD11 LEU 123 HD11 LEU 123 0.647 12.414 14.274 972 HD12 LEU 123 HD12 LEU 123 -0.761 12.361 15.336 973 HD13 LEU 123 HD13 LEU 123 0.766 11.650 15.857 974 HD21 LEU 123 HD21 LEU 123 -0.929 14.925 15.185 975 HD22 LEU 123 HD22 LEU 123 0.450 14.862 14.087 976 HD23 LEU 123 HD23 LEU 123 0.517 15.876 15.527 977 H ILE 124 H ILE 124 -2.076 11.597 19.296 978 HA ILE 124 HA ILE 124 -2.057 13.293 21.672 979 HB ILE 124 HB ILE 124 -3.075 10.457 21.462 980 HG12 ILE 124 HG12 ILE 124 -4.698 12.994 21.135 981 HG13 ILE 124 HG13 ILE 124 -4.156 12.001 19.785 982 HG21 ILE 124 HG21 ILE 124 -4.402 11.071 23.413 983 HG22 ILE 124 HG22 ILE 124 -3.728 12.700 23.372 984 HG23 ILE 124 HG23 ILE 124 -2.684 11.323 23.722 985 HD11 ILE 124 HD11 ILE 124 -5.430 10.114 20.680 986 HD12 ILE 124 HD12 ILE 124 -6.453 11.511 20.338 987 HD13 ILE 124 HD13 ILE 124 -5.998 11.138 22.001 988 H THR 125 H THR 125 -0.007 13.389 22.438 989 HA THR 125 HA THR 125 1.493 10.870 22.669 990 HB THR 125 HB THR 125 2.666 13.603 23.129 991 HG1 THR 125 HG1 THR 125 1.531 13.417 21.031 992 HG21 THR 125 HG21 THR 125 3.794 10.982 22.122 993 HG22 THR 125 HG22 THR 125 4.034 11.673 23.726 994 HG23 THR 125 HG23 THR 125 4.708 12.477 22.309 995 H CYS 126 H CYS 126 0.969 9.949 24.564 996 HA CYS 126 HA CYS 126 0.400 11.604 26.866 997 HB2 CYS 126 HB2 CYS 126 0.443 8.586 26.720 998 HB3 CYS 126 HB3 CYS 126 -0.366 9.592 27.920 999 H ASP 127 H ASP 127 2.199 12.475 27.669 1000 HA ASP 127 HA ASP 127 4.345 10.656 28.547 1001 HB2 ASP 127 HB2 ASP 127 4.468 13.614 27.894 1002 HB3 ASP 127 HB3 ASP 127 5.778 12.718 28.650 1003 H ASP 128 H ASP 128 5.514 11.756 30.521 1004 HA ASP 128 HA ASP 128 5.446 12.248 32.743 1005 HB2 ASP 128 HB2 ASP 128 4.671 14.454 31.404 1006 HB3 ASP 128 HB3 ASP 128 3.234 14.196 32.383 1007 H TYR 129 H TYR 129 4.583 10.238 33.431 1008 HA TYR 129 HA TYR 129 1.667 10.140 33.665 1009 HB2 TYR 129 HB2 TYR 129 1.753 7.794 33.624 1010 HB3 TYR 129 HB3 TYR 129 2.885 8.323 32.393 1011 HD1 TYR 129 HD1 TYR 129 2.646 5.613 33.789 1012 HD2 TYR 129 HD2 TYR 129 5.144 8.974 34.512 1013 HE1 TYR 129 HE1 TYR 129 4.344 4.132 34.774 1014 HE2 TYR 129 HE2 TYR 129 6.859 7.505 35.474 1015 HH TYR 129 HH TYR 129 6.959 5.254 36.566 1016 H ASN 130 H ASN 130 0.889 8.747 35.498 1017 HA ASN 130 HA ASN 130 2.123 9.735 37.979 1018 HB2 ASN 130 HB2 ASN 130 -0.272 10.359 37.410 1019 HB3 ASN 130 HB3 ASN 130 -0.680 8.657 37.590 1020 HD21 ASN 130 HD21 ASN 130 0.020 11.607 39.162 1021 HD22 ASN 130 HD22 ASN 130 -0.253 11.058 40.793 1022 H GLU 131 H GLU 131 3.623 8.135 38.322 1023 HA GLU 131 HA GLU 131 3.579 5.489 37.752 1024 HB2 GLU 131 HB2 GLU 131 4.748 6.745 40.234 1025 HB3 GLU 131 HB3 GLU 131 5.164 5.153 39.617 1026 HG2 GLU 131 HG2 GLU 131 5.897 6.275 37.499 1027 HG3 GLU 131 HG3 GLU 131 5.681 7.817 38.328 1028 H LYS 132 H LYS 132 1.979 6.938 40.573 1029 HA LYS 132 HA LYS 132 1.696 4.570 42.044 1030 HB2 LYS 132 HB2 LYS 132 0.303 7.223 42.102 1031 HB3 LYS 132 HB3 LYS 132 -0.173 5.919 43.166 1032 HG2 LYS 132 HG2 LYS 132 2.481 7.312 43.055 1033 HG3 LYS 132 HG3 LYS 132 1.303 7.340 44.365 1034 HD2 LYS 132 HD2 LYS 132 2.954 4.985 43.455 1035 HD3 LYS 132 HD3 LYS 132 3.127 5.881 44.961 1036 HE2 LYS 132 HE2 LYS 132 0.751 4.209 44.150 1037 HE3 LYS 132 HE3 LYS 132 1.992 3.748 45.313 1038 HZ1 LYS 132 HZ1 LYS 132 -0.099 5.825 45.577 1039 HZ2 LYS 132 HZ2 LYS 132 1.277 5.830 46.568 1040 HZ3 LYS 132 HZ3 LYS 132 0.221 4.504 46.591 1041 H THR 133 H THR 133 -0.223 5.864 39.426 1042 HA THR 133 HA THR 133 -2.104 3.644 39.842 1043 HB THR 133 HB THR 133 -3.237 5.669 40.501 1044 HG1 THR 133 HG1 THR 133 -4.035 4.517 38.034 1045 HG21 THR 133 HG21 THR 133 -1.927 7.306 39.308 1046 HG22 THR 133 HG22 THR 133 -3.629 7.488 38.881 1047 HG23 THR 133 HG23 THR 133 -2.522 6.691 37.764 1048 H GLY 134 H GLY 134 -0.042 5.320 37.704 1049 HA2 GLY 134 HA2 GLY 134 0.829 4.328 35.774 1050 HA3 GLY 134 HA3 GLY 134 -0.548 3.247 35.730 1051 H VAL 135 H VAL 135 -1.875 6.231 36.143 1052 HA VAL 135 HA VAL 135 -2.672 6.395 33.414 1053 HB VAL 135 HB VAL 135 -3.994 8.278 34.049 1054 HG11 VAL 135 HG11 VAL 135 -5.335 7.356 35.877 1055 HG12 VAL 135 HG12 VAL 135 -4.036 6.216 36.230 1056 HG13 VAL 135 HG13 VAL 135 -4.887 6.133 34.689 1057 HG21 VAL 135 HG21 VAL 135 -3.914 9.247 36.327 1058 HG22 VAL 135 HG22 VAL 135 -2.463 9.551 35.372 1059 HG23 VAL 135 HG23 VAL 135 -2.451 8.310 36.626 1060 H TRP 136 H TRP 136 -2.152 7.985 31.912 1061 HA TRP 136 HA TRP 136 0.364 9.366 32.419 1062 HB2 TRP 136 HB2 TRP 136 -1.187 8.893 29.862 1063 HB3 TRP 136 HB3 TRP 136 0.325 9.796 29.951 1064 HD1 TRP 136 HD1 TRP 136 -1.045 6.224 30.304 1065 HE1 TRP 136 HE1 TRP 136 0.921 4.571 30.140 1066 HE3 TRP 136 HE3 TRP 136 2.820 9.568 30.221 1067 HZ2 TRP 136 HZ2 TRP 136 3.734 4.675 30.006 1068 HZ3 TRP 136 HZ3 TRP 136 5.118 8.712 30.067 1069 HH2 TRP 136 HH2 TRP 136 5.567 6.313 29.958 1070 H GLU 137 H GLU 137 0.285 11.349 33.174 1071 HA GLU 137 HA GLU 137 -2.200 12.710 33.401 1072 HB2 GLU 137 HB2 GLU 137 0.609 13.550 34.100 1073 HB3 GLU 137 HB3 GLU 137 -0.815 14.518 34.451 1074 HG2 GLU 137 HG2 GLU 137 -1.693 12.633 35.803 1075 HG3 GLU 137 HG3 GLU 137 -0.166 11.789 35.542 1076 H LYS 138 H LYS 138 0.836 13.524 31.690 1077 HA LYS 138 HA LYS 138 -0.579 15.693 30.364 1078 HB2 LYS 138 HB2 LYS 138 2.302 14.859 30.292 1079 HB3 LYS 138 HB3 LYS 138 1.653 16.197 29.362 1080 HG2 LYS 138 HG2 LYS 138 1.772 15.966 32.359 1081 HG3 LYS 138 HG3 LYS 138 2.702 17.060 31.333 1082 HD2 LYS 138 HD2 LYS 138 0.461 18.001 30.570 1083 HD3 LYS 138 HD3 LYS 138 -0.251 17.104 31.913 1084 HE2 LYS 138 HE2 LYS 138 0.154 19.350 32.640 1085 HE3 LYS 138 HE3 LYS 138 1.311 18.292 33.448 1086 HZ1 LYS 138 HZ1 LYS 138 2.299 20.364 32.570 1087 HZ2 LYS 138 HZ2 LYS 138 1.909 19.860 30.995 1088 HZ3 LYS 138 HZ3 LYS 138 3.010 18.963 31.928 1089 H ARG 139 H ARG 139 -1.986 14.360 29.134 1090 HA ARG 139 HA ARG 139 -0.806 12.924 26.932 1091 HB2 ARG 139 HB2 ARG 139 -3.120 12.736 26.047 1092 HB3 ARG 139 HB3 ARG 139 -2.926 12.081 27.660 1093 HG2 ARG 139 HG2 ARG 139 -3.979 14.098 28.586 1094 HG3 ARG 139 HG3 ARG 139 -4.193 14.721 26.946 1095 HD2 ARG 139 HD2 ARG 139 -5.482 12.625 26.425 1096 HD3 ARG 139 HD3 ARG 139 -5.416 12.237 28.141 1097 HE ARG 139 HE ARG 139 -6.457 14.822 27.846 1098 HH11 ARG 139 HH11 ARG 139 -7.374 11.460 27.297 1099 HH12 ARG 139 HH12 ARG 139 -9.075 11.817 27.373 1100 HH21 ARG 139 HH21 ARG 139 -8.707 15.234 27.960 1101 HH22 ARG 139 HH22 ARG 139 -9.820 13.923 27.756 1102 H LYS 140 H LYS 140 0.570 14.504 26.175 1103 HA LYS 140 HA LYS 140 -0.307 17.122 25.480 1104 HB2 LYS 140 HB2 LYS 140 2.029 16.600 26.120 1105 HB3 LYS 140 HB3 LYS 140 2.207 15.659 24.645 1106 HG2 LYS 140 HG2 LYS 140 1.995 17.600 23.285 1107 HG3 LYS 140 HG3 LYS 140 1.528 18.588 24.671 1108 HD2 LYS 140 HD2 LYS 140 3.752 18.214 25.658 1109 HD3 LYS 140 HD3 LYS 140 4.207 17.275 24.234 1110 HE2 LYS 140 HE2 LYS 140 3.954 19.196 22.818 1111 HE3 LYS 140 HE3 LYS 140 3.315 20.151 24.154 1112 HZ1 LYS 140 HZ1 LYS 140 5.690 20.570 23.620 1113 HZ2 LYS 140 HZ2 LYS 140 6.046 18.995 24.122 1114 HZ3 LYS 140 HZ3 LYS 140 5.420 20.109 25.230 1115 H ILE 141 H ILE 141 -1.246 17.800 23.691 1116 HA ILE 141 HA ILE 141 -1.568 15.821 21.553 1117 HB ILE 141 HB ILE 141 -3.634 16.406 22.752 1118 HG12 ILE 141 HG12 ILE 141 -3.558 17.396 19.896 1119 HG13 ILE 141 HG13 ILE 141 -3.726 15.717 20.400 1120 HG21 ILE 141 HG21 ILE 141 -3.116 19.184 21.723 1121 HG22 ILE 141 HG22 ILE 141 -3.165 18.668 23.410 1122 HG23 ILE 141 HG23 ILE 141 -4.637 18.642 22.438 1123 HD11 ILE 141 HD11 ILE 141 -5.695 17.931 20.929 1124 HD12 ILE 141 HD12 ILE 141 -5.862 16.260 21.468 1125 HD13 ILE 141 HD13 ILE 141 -5.867 16.635 19.745 1126 H PHE 142 H PHE 142 -0.685 16.239 19.696 1127 HA PHE 142 HA PHE 142 -0.085 19.029 18.982 1128 HB2 PHE 142 HB2 PHE 142 1.078 16.453 17.881 1129 HB3 PHE 142 HB3 PHE 142 1.479 18.058 17.307 1130 HD1 PHE 142 HD1 PHE 142 3.246 19.212 18.217 1131 HD2 PHE 142 HD2 PHE 142 1.616 15.910 20.351 1132 HE1 PHE 142 HE1 PHE 142 5.113 19.323 19.807 1133 HE2 PHE 142 HE2 PHE 142 3.479 16.020 21.948 1134 HZ PHE 142 HZ PHE 142 5.231 17.727 21.676 1135 H VAL 143 H VAL 143 -1.734 19.814 17.766 1136 HA VAL 143 HA VAL 143 -3.059 17.996 15.886 1137 HB VAL 143 HB VAL 143 -3.787 20.825 16.641 1138 HG11 VAL 143 HG11 VAL 143 -4.505 20.327 14.389 1139 HG12 VAL 143 HG12 VAL 143 -5.903 20.363 15.465 1140 HG13 VAL 143 HG13 VAL 143 -5.239 18.818 14.930 1141 HG21 VAL 143 HG21 VAL 143 -4.112 19.245 18.480 1142 HG22 VAL 143 HG22 VAL 143 -5.084 18.219 17.421 1143 HG23 VAL 143 HG23 VAL 143 -5.652 19.832 17.854 1144 H ALA 144 H ALA 144 -1.917 17.783 14.131 1145 HA ALA 144 HA ALA 144 -0.633 20.141 12.948 1146 HB1 ALA 144 HB1 ALA 144 0.813 18.211 13.368 1147 HB2 ALA 144 HB2 ALA 144 0.697 18.576 11.646 1148 HB3 ALA 144 HB3 ALA 144 -0.209 17.223 12.325 1149 H THR 145 H THR 145 -2.084 21.153 11.705 1150 HA THR 145 HA THR 145 -3.958 19.638 10.079 1151 HB THR 145 HB THR 145 -3.642 22.638 10.062 1152 HG1 THR 145 HG1 THR 145 -4.752 20.952 12.036 1153 HG21 THR 145 HG21 THR 145 -5.987 20.778 9.628 1154 HG22 THR 145 HG22 THR 145 -5.157 21.733 8.398 1155 HG23 THR 145 HG23 THR 145 -6.093 22.540 9.658 1156 H GLU 146 H GLU 146 -3.882 19.498 7.854 1157 HA GLU 146 HA GLU 146 -1.394 19.469 6.639 1158 HB2 GLU 146 HB2 GLU 146 -3.149 18.122 5.731 1159 HB3 GLU 146 HB3 GLU 146 -4.155 19.530 5.419 1160 HG2 GLU 146 HG2 GLU 146 -3.071 20.056 3.508 1161 HG3 GLU 146 HG3 GLU 146 -1.514 19.480 4.100 1162 H VAL 147 H VAL 147 -0.172 20.851 5.680 1163 HA VAL 147 HA VAL 147 -1.045 23.633 5.525 1164 HB VAL 147 HB VAL 147 0.948 23.244 6.834 1165 HG11 VAL 147 HG11 VAL 147 1.690 21.177 5.922 1166 HG12 VAL 147 HG12 VAL 147 3.001 22.353 5.809 1167 HG13 VAL 147 HG13 VAL 147 2.062 21.937 4.375 1168 HG21 VAL 147 HG21 VAL 147 2.563 24.694 5.714 1169 HG22 VAL 147 HG22 VAL 147 0.918 25.321 5.596 1170 HG23 VAL 147 HG23 VAL 147 1.662 24.528 4.207 1171 H LYS 148 H LYS 148 -0.432 24.881 3.611 1172 HA LYS 148 HA LYS 148 -1.560 23.971 1.310 1173 HB2 LYS 148 HB2 LYS 148 0.652 26.008 1.556 1174 HB3 LYS 148 HB3 LYS 148 -0.376 25.804 0.144 1175 HG2 LYS 148 HG2 LYS 148 -2.322 26.445 1.414 1176 HG3 LYS 148 HG3 LYS 148 -1.365 26.531 2.895 1177 HD2 LYS 148 HD2 LYS 148 -1.702 28.760 2.018 1178 HD3 LYS 148 HD3 LYS 148 -0.000 28.320 1.879 1179 HE2 LYS 148 HE2 LYS 148 -0.615 29.380 -0.156 1180 HE3 LYS 148 HE3 LYS 148 -0.464 27.655 -0.492 1181 HZ1 LYS 148 HZ1 LYS 148 -2.809 27.415 -0.510 1182 HZ2 LYS 148 HZ2 LYS 148 -2.453 28.764 -1.479 1183 HZ3 LYS 148 HZ3 LYS 148 -3.050 28.983 0.092 1184 H1 JPT 201 H7 UNK 201 -2.608 8.831 27.900 1185 H11 JPT 201 H11 UNK 201 -2.755 6.474 28.877 1186 H12 JPT 201 H12 UNK 201 -1.036 4.415 25.092 1187 H13 JPT 201 H13 UNK 201 -1.540 6.953 24.745 1188 H62 JPT 201 H62 UNK 201 -5.230 6.734 23.413 1189 H61 JPT 201 H61 UNK 201 -6.889 7.363 23.513 1190 H3 JPT 201 H3 UNK 201 -5.802 8.058 21.555 1191 H4 JPT 201 H4 UNK 201 -5.544 9.812 28.894 1192 H2 JPT 201 H2 UNK 201 -7.442 9.220 24.943
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