NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635007 | 6fbl | 34220 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 15.715 3.957 -11.678 2 HA SER 1 HA SER 1 13.697 3.676 -12.900 3 HB2 SER 1 HB2 SER 1 14.691 3.311 -15.115 4 HB3 SER 1 HB3 SER 1 15.755 4.321 -14.105 5 HG SER 1 HG SER 1 16.867 2.621 -15.204 6 H GLY 2 H GLY 2 12.667 2.204 -14.647 7 HA2 GLY 2 HA2 GLY 2 11.848 0.171 -15.349 8 HA3 GLY 2 HA3 GLY 2 13.091 -0.645 -14.383 9 H SER 3 H SER 3 11.364 1.594 -12.465 10 HA SER 3 HA SER 3 10.199 -0.461 -10.863 11 HB2 SER 3 HB2 SER 3 10.893 1.658 -9.888 12 HB3 SER 3 HB3 SER 3 9.757 2.536 -10.937 13 HG SER 3 HG SER 3 9.172 0.743 -8.829 14 H HIS 4 H HIS 4 7.972 -0.875 -10.409 15 HA HIS 4 HA HIS 4 6.308 -0.934 -12.783 16 HB2 HIS 4 HB2 HIS 4 4.771 -2.176 -11.415 17 HB3 HIS 4 HB3 HIS 4 6.404 -2.767 -11.105 18 HD1 HIS 4 HD1 HIS 4 7.512 -1.653 -8.679 19 HD2 HIS 4 HD2 HIS 4 3.352 -1.615 -9.341 20 HE1 HIS 4 HE1 HIS 4 6.415 -1.278 -6.389 21 HE2 HIS 4 HE2 HIS 4 3.880 -1.273 -6.800 22 H MET 5 H MET 5 6.834 1.495 -10.420 23 HA MET 5 HA MET 5 4.422 2.909 -11.316 24 HB2 MET 5 HB2 MET 5 3.530 1.556 -9.515 25 HB3 MET 5 HB3 MET 5 4.824 2.079 -8.419 26 HG2 MET 5 HG2 MET 5 4.015 4.377 -8.493 27 HG3 MET 5 HG3 MET 5 2.791 3.933 -9.693 28 HE1 MET 5 HE1 MET 5 0.948 5.122 -8.299 29 HE2 MET 5 HE2 MET 5 0.618 4.789 -6.581 30 HE3 MET 5 HE3 MET 5 2.144 5.575 -7.066 31 H LYS 6 H LYS 6 7.522 2.904 -9.557 32 HA LYS 6 HA LYS 6 7.368 5.732 -8.932 33 HB2 LYS 6 HB2 LYS 6 8.656 4.165 -7.565 34 HB3 LYS 6 HB3 LYS 6 9.728 3.813 -8.935 35 HG2 LYS 6 HG2 LYS 6 10.495 6.139 -8.993 36 HG3 LYS 6 HG3 LYS 6 9.360 6.569 -7.701 37 HD2 LYS 6 HD2 LYS 6 10.515 5.005 -6.162 38 HD3 LYS 6 HD3 LYS 6 11.644 4.560 -7.456 39 HE2 LYS 6 HE2 LYS 6 12.407 6.905 -7.607 40 HE3 LYS 6 HE3 LYS 6 11.260 7.360 -6.327 41 HZ1 LYS 6 HZ1 LYS 6 12.434 5.889 -4.846 42 HZ2 LYS 6 HZ2 LYS 6 13.494 5.462 -6.019 43 HZ3 LYS 6 HZ3 LYS 6 13.464 7.011 -5.458 44 H THR 7 H THR 7 8.473 7.440 -9.883 45 HA THR 7 HA THR 7 9.721 6.956 -12.493 46 HB THR 7 HB THR 7 8.433 8.335 -13.759 47 HG1 THR 7 HG1 THR 7 6.980 9.835 -12.815 48 HG21 THR 7 HG21 THR 7 6.383 7.300 -11.749 49 HG22 THR 7 HG22 THR 7 6.069 7.821 -13.419 50 HG23 THR 7 HG23 THR 7 7.049 6.368 -13.118 51 H CYS 8 H CYS 8 10.822 8.825 -13.454 52 HA CYS 8 HA CYS 8 12.443 10.154 -11.440 53 HB2 CYS 8 HB2 CYS 8 13.646 11.028 -13.447 54 HB3 CYS 8 HB3 CYS 8 13.464 9.256 -13.454 55 HG CYS 8 HG CYS 8 11.724 11.566 -15.037 56 H VAL 9 H VAL 9 9.399 10.872 -12.574 57 HA VAL 9 HA VAL 9 9.686 13.666 -13.155 58 HB VAL 9 HB VAL 9 7.202 12.162 -12.302 59 HG11 VAL 9 HG11 VAL 9 7.619 14.717 -13.901 60 HG12 VAL 9 HG12 VAL 9 6.053 13.913 -13.629 61 HG13 VAL 9 HG13 VAL 9 6.934 14.603 -12.260 62 HG21 VAL 9 HG21 VAL 9 6.784 11.882 -14.730 63 HG22 VAL 9 HG22 VAL 9 8.380 12.583 -15.079 64 HG23 VAL 9 HG23 VAL 9 8.253 11.028 -14.225 65 H VAL 10 H VAL 10 9.267 15.468 -11.913 66 HA VAL 10 HA VAL 10 8.737 15.132 -9.033 67 HB VAL 10 HB VAL 10 10.602 16.536 -8.379 68 HG11 VAL 10 HG11 VAL 10 10.995 14.088 -8.497 69 HG12 VAL 10 HG12 VAL 10 11.617 14.283 -10.155 70 HG13 VAL 10 HG13 VAL 10 12.469 15.036 -8.789 71 HG21 VAL 10 HG21 VAL 10 11.418 16.492 -11.310 72 HG22 VAL 10 HG22 VAL 10 10.820 17.913 -10.412 73 HG23 VAL 10 HG23 VAL 10 12.372 17.168 -9.978 74 H GLU 11 H GLU 11 8.088 17.094 -7.976 75 HA GLU 11 HA GLU 11 6.565 18.870 -9.739 76 HB2 GLU 11 HB2 GLU 11 6.857 18.615 -6.722 77 HB3 GLU 11 HB3 GLU 11 5.819 19.818 -7.500 78 HG2 GLU 11 HG2 GLU 11 5.592 16.801 -7.903 79 HG3 GLU 11 HG3 GLU 11 4.602 17.762 -6.794 80 H LYS 12 H LYS 12 6.631 21.223 -9.472 81 HA LYS 12 HA LYS 12 9.176 22.340 -8.508 82 HB2 LYS 12 HB2 LYS 12 8.406 22.161 -11.403 83 HB3 LYS 12 HB3 LYS 12 9.143 23.664 -10.821 84 HG2 LYS 12 HG2 LYS 12 11.035 22.412 -9.878 85 HG3 LYS 12 HG3 LYS 12 10.354 20.889 -10.505 86 HD2 LYS 12 HD2 LYS 12 10.545 21.731 -12.805 87 HD3 LYS 12 HD3 LYS 12 11.093 23.312 -12.208 88 HE2 LYS 12 HE2 LYS 12 13.073 22.251 -11.180 89 HE3 LYS 12 HE3 LYS 12 12.538 20.664 -11.771 90 HZ1 LYS 12 HZ1 LYS 12 14.166 21.636 -13.231 91 HZ2 LYS 12 HZ2 LYS 12 12.729 21.510 -14.010 92 HZ3 LYS 12 HZ3 LYS 12 13.240 22.973 -13.460 93 H ILE 13 H ILE 13 9.186 24.453 -8.044 94 HA ILE 13 HA ILE 13 6.844 26.153 -8.589 95 HB ILE 13 HB ILE 13 7.852 25.506 -5.789 96 HG12 ILE 13 HG12 ILE 13 5.128 25.168 -7.109 97 HG13 ILE 13 HG13 ILE 13 6.240 23.866 -6.640 98 HG21 ILE 13 HG21 ILE 13 5.892 27.634 -6.718 99 HG22 ILE 13 HG22 ILE 13 6.212 27.194 -5.019 100 HG23 ILE 13 HG23 ILE 13 7.494 27.917 -5.975 101 HD11 ILE 13 HD11 ILE 13 6.051 24.671 -4.245 102 HD12 ILE 13 HD12 ILE 13 4.737 25.743 -4.788 103 HD13 ILE 13 HD13 ILE 13 4.567 23.989 -4.945 104 H LYS 14 H LYS 14 7.386 28.415 -8.392 105 HA LYS 14 HA LYS 14 10.217 29.060 -7.841 106 HB2 LYS 14 HB2 LYS 14 10.070 28.486 -10.253 107 HB3 LYS 14 HB3 LYS 14 8.807 29.710 -10.461 108 HG2 LYS 14 HG2 LYS 14 10.419 31.478 -9.751 109 HG3 LYS 14 HG3 LYS 14 11.671 30.226 -9.563 110 HD2 LYS 14 HD2 LYS 14 11.323 29.605 -11.979 111 HD3 LYS 14 HD3 LYS 14 10.188 30.962 -12.122 112 HE2 LYS 14 HE2 LYS 14 12.358 31.650 -12.966 113 HE3 LYS 14 HE3 LYS 14 12.014 32.522 -11.466 114 HZ1 LYS 14 HZ1 LYS 14 14.267 31.639 -11.573 115 HZ2 LYS 14 HZ2 LYS 14 13.432 30.972 -10.312 116 HZ3 LYS 14 HZ3 LYS 14 13.690 30.104 -11.679 117 H GLN 15 H GLN 15 10.473 31.111 -6.988 118 HA GLN 15 HA GLN 15 8.339 33.086 -7.218 119 HB2 GLN 15 HB2 GLN 15 7.458 31.662 -5.441 120 HB3 GLN 15 HB3 GLN 15 8.994 31.746 -4.567 121 HG2 GLN 15 HG2 GLN 15 7.245 33.245 -3.619 122 HG3 GLN 15 HG3 GLN 15 8.692 34.111 -4.124 123 HE21 GLN 15 HE21 GLN 15 7.803 36.123 -4.615 124 HE22 GLN 15 HE22 GLN 15 6.622 36.367 -5.883 125 H TRP 16 H TRP 16 8.927 35.160 -6.282 126 HA TRP 16 HA TRP 16 11.874 35.557 -6.206 127 HB2 TRP 16 HB2 TRP 16 9.599 37.510 -6.670 128 HB3 TRP 16 HB3 TRP 16 11.324 37.863 -6.792 129 HD1 TRP 16 HD1 TRP 16 8.554 35.893 -8.570 130 HE1 TRP 16 HE1 TRP 16 9.223 35.442 -10.995 131 HE3 TRP 16 HE3 TRP 16 13.295 37.786 -8.449 132 HZ2 TRP 16 HZ2 TRP 16 11.541 35.872 -12.690 133 HZ3 TRP 16 HZ3 TRP 16 14.697 37.777 -10.478 134 HH2 TRP 16 HH2 TRP 16 13.842 36.811 -12.597 135 H ILE 17 H ILE 17 12.839 36.728 -4.568 136 HA ILE 17 HA ILE 17 11.125 37.852 -2.439 137 HB ILE 17 HB ILE 17 12.382 36.931 -0.682 138 HG12 ILE 17 HG12 ILE 17 14.360 35.885 -2.733 139 HG13 ILE 17 HG13 ILE 17 14.628 37.174 -1.542 140 HG21 ILE 17 HG21 ILE 17 10.739 35.374 -1.728 141 HG22 ILE 17 HG22 ILE 17 12.074 34.623 -2.639 142 HG23 ILE 17 HG23 ILE 17 12.041 34.549 -0.860 143 HD11 ILE 17 HD11 ILE 17 14.136 34.239 -0.925 144 HD12 ILE 17 HD12 ILE 17 15.659 35.123 -0.750 145 HD13 ILE 17 HD13 ILE 17 14.276 35.528 0.293 146 HA PRO 18 HA PRO 18 13.787 41.274 -3.315 147 HB2 PRO 18 HB2 PRO 18 13.677 42.674 -0.954 148 HB3 PRO 18 HB3 PRO 18 12.331 42.612 -2.137 149 HG2 PRO 18 HG2 PRO 18 12.699 40.906 0.348 150 HG3 PRO 18 HG3 PRO 18 11.233 41.804 -0.171 151 HD2 PRO 18 HD2 PRO 18 11.501 39.160 -0.693 152 HD3 PRO 18 HD3 PRO 18 10.810 40.250 -1.931 153 H THR 19 H THR 19 15.939 42.043 -2.857 154 HA THR 19 HA THR 19 17.689 39.916 -2.081 155 HB THR 19 HB THR 19 19.338 42.002 -2.135 156 HG1 THR 19 HG1 THR 19 18.429 43.714 -3.323 157 HG21 THR 19 HG21 THR 19 17.737 41.081 -4.558 158 HG22 THR 19 HG22 THR 19 19.315 41.901 -4.621 159 HG23 THR 19 HG23 THR 19 19.181 40.291 -3.880 160 H THR 20 H THR 20 16.044 42.502 -0.342 161 HA THR 20 HA THR 20 17.911 42.730 1.782 162 HB THR 20 HB THR 20 16.146 44.400 1.057 163 HG1 THR 20 HG1 THR 20 16.028 45.163 3.175 164 HG21 THR 20 HG21 THR 20 13.984 44.274 2.167 165 HG22 THR 20 HG22 THR 20 14.220 42.796 1.211 166 HG23 THR 20 HG23 THR 20 14.438 42.754 2.974 167 H GLU 21 H GLU 21 16.071 40.037 1.069 168 HA GLU 21 HA GLU 21 16.483 39.133 3.843 169 HB2 GLU 21 HB2 GLU 21 14.334 38.088 4.015 170 HB3 GLU 21 HB3 GLU 21 14.119 39.810 3.656 171 HG2 GLU 21 HG2 GLU 21 13.759 39.222 1.255 172 HG3 GLU 21 HG3 GLU 21 13.898 37.506 1.673 173 H VAL 22 H VAL 22 17.487 38.677 0.796 174 HA VAL 22 HA VAL 22 17.281 35.819 0.506 175 HB VAL 22 HB VAL 22 19.330 37.870 -0.423 176 HG11 VAL 22 HG11 VAL 22 20.455 35.687 -0.348 177 HG12 VAL 22 HG12 VAL 22 19.078 34.935 -1.191 178 HG13 VAL 22 HG13 VAL 22 20.093 36.128 -2.028 179 HG21 VAL 22 HG21 VAL 22 18.234 37.601 -2.584 180 HG22 VAL 22 HG22 VAL 22 17.172 36.336 -1.927 181 HG23 VAL 22 HG23 VAL 22 17.010 38.017 -1.367 182 H GLY 23 H GLY 23 19.146 37.969 2.575 183 HA2 GLY 23 HA2 GLY 23 21.184 36.096 3.338 184 HA3 GLY 23 HA3 GLY 23 20.700 37.570 4.211 185 H LYS 24 H LYS 24 17.797 36.217 4.031 186 HA LYS 24 HA LYS 24 18.017 34.854 6.621 187 HB2 LYS 24 HB2 LYS 24 15.591 35.336 4.855 188 HB3 LYS 24 HB3 LYS 24 15.568 34.802 6.535 189 HG2 LYS 24 HG2 LYS 24 16.558 37.493 5.500 190 HG3 LYS 24 HG3 LYS 24 15.053 37.193 6.372 191 HD2 LYS 24 HD2 LYS 24 17.876 36.847 7.474 192 HD3 LYS 24 HD3 LYS 24 16.747 38.145 7.869 193 HE2 LYS 24 HE2 LYS 24 15.149 36.497 8.795 194 HE3 LYS 24 HE3 LYS 24 16.276 35.187 8.406 195 HZ1 LYS 24 HZ1 LYS 24 16.791 37.393 10.289 196 HZ2 LYS 24 HZ2 LYS 24 16.486 35.829 10.678 197 HZ3 LYS 24 HZ3 LYS 24 17.874 36.221 9.890 198 H ILE 25 H ILE 25 18.626 33.869 3.520 199 HA ILE 25 HA ILE 25 17.731 31.083 4.126 200 HB ILE 25 HB ILE 25 17.931 32.416 1.407 201 HG12 ILE 25 HG12 ILE 25 15.468 31.681 3.041 202 HG13 ILE 25 HG13 ILE 25 16.033 33.323 2.664 203 HG21 ILE 25 HG21 ILE 25 16.907 29.672 2.235 204 HG22 ILE 25 HG22 ILE 25 16.890 30.334 0.578 205 HG23 ILE 25 HG23 ILE 25 18.425 30.006 1.375 206 HD11 ILE 25 HD11 ILE 25 14.264 32.802 1.127 207 HD12 ILE 25 HD12 ILE 25 15.799 32.787 0.224 208 HD13 ILE 25 HD13 ILE 25 15.013 31.258 0.675 209 H LEU 26 H LEU 26 20.203 33.270 2.804 210 HA LEU 26 HA LEU 26 22.065 30.967 2.538 211 HB2 LEU 26 HB2 LEU 26 22.134 33.604 1.034 212 HB3 LEU 26 HB3 LEU 26 23.133 32.176 0.724 213 HG LEU 26 HG LEU 26 20.107 32.327 0.356 214 HD11 LEU 26 HD11 LEU 26 21.383 33.683 -1.262 215 HD12 LEU 26 HD12 LEU 26 22.422 32.289 -1.624 216 HD13 LEU 26 HD13 LEU 26 20.692 32.246 -2.046 217 HD21 LEU 26 HD21 LEU 26 20.877 30.044 0.921 218 HD22 LEU 26 HD22 LEU 26 20.403 30.153 -0.785 219 HD23 LEU 26 HD23 LEU 26 22.127 30.149 -0.345 220 H GLY 27 H GLY 27 21.443 33.041 4.830 221 HA2 GLY 27 HA2 GLY 27 23.667 34.829 4.963 222 HA3 GLY 27 HA3 GLY 27 22.565 34.405 6.281 223 H ASN 28 H ASN 28 23.518 31.422 5.652 224 HA ASN 28 HA ASN 28 26.283 31.509 6.611 225 HB2 ASN 28 HB2 ASN 28 25.057 31.879 8.711 226 HB3 ASN 28 HB3 ASN 28 24.015 30.496 8.371 227 HD21 ASN 28 HD21 ASN 28 24.776 29.771 10.522 228 HD22 ASN 28 HD22 ASN 28 26.294 28.901 10.625 229 H ARG 29 H ARG 29 26.777 30.278 4.783 230 HA ARG 29 HA ARG 29 27.010 28.418 3.492 231 HB2 ARG 29 HB2 ARG 29 26.628 27.072 6.187 232 HB3 ARG 29 HB3 ARG 29 27.325 26.308 4.747 233 HG2 ARG 29 HG2 ARG 29 29.158 27.917 4.710 234 HG3 ARG 29 HG3 ARG 29 28.445 28.822 6.063 235 HD2 ARG 29 HD2 ARG 29 28.698 26.868 7.538 236 HD3 ARG 29 HD3 ARG 29 29.342 25.919 6.191 237 HE ARG 29 HE ARG 29 31.396 26.944 6.437 238 HH11 ARG 29 HH11 ARG 29 28.986 28.808 8.250 239 HH12 ARG 29 HH12 ARG 29 30.187 29.795 9.044 240 HH21 ARG 29 HH21 ARG 29 32.927 28.275 7.465 241 HH22 ARG 29 HH22 ARG 29 32.410 29.500 8.599 242 H ALA 30 H ALA 30 24.223 29.438 3.816 243 HA ALA 30 HA ALA 30 22.086 28.894 3.380 244 HB1 ALA 30 HB1 ALA 30 23.360 26.715 1.698 245 HB2 ALA 30 HB2 ALA 30 21.712 27.363 1.517 246 HB3 ALA 30 HB3 ALA 30 23.121 28.410 1.214 247 H ALA 31 H ALA 31 23.364 27.554 5.768 248 HA ALA 31 HA ALA 31 22.366 24.909 6.034 249 HB1 ALA 31 HB1 ALA 31 22.902 27.051 8.134 250 HB2 ALA 31 HB2 ALA 31 22.751 25.303 8.437 251 HB3 ALA 31 HB3 ALA 31 24.110 25.926 7.475 252 H VAL 32 H VAL 32 20.774 28.046 6.264 253 HA VAL 32 HA VAL 32 18.462 27.083 7.732 254 HB VAL 32 HB VAL 32 18.916 29.519 5.968 255 HG11 VAL 32 HG11 VAL 32 16.505 28.993 6.151 256 HG12 VAL 32 HG12 VAL 32 16.662 28.866 7.919 257 HG13 VAL 32 HG13 VAL 32 16.905 30.430 7.105 258 HG21 VAL 32 HG21 VAL 32 19.112 30.716 8.124 259 HG22 VAL 32 HG22 VAL 32 18.938 29.178 8.996 260 HG23 VAL 32 HG23 VAL 32 20.360 29.464 7.965 261 H LYS 33 H LYS 33 19.398 27.422 4.292 262 HA LYS 33 HA LYS 33 16.807 26.754 3.239 263 HB2 LYS 33 HB2 LYS 33 18.628 27.919 1.990 264 HB3 LYS 33 HB3 LYS 33 19.571 26.420 2.006 265 HG2 LYS 33 HG2 LYS 33 17.746 25.271 0.740 266 HG3 LYS 33 HG3 LYS 33 16.813 26.781 0.756 267 HD2 LYS 33 HD2 LYS 33 17.916 26.647 -1.379 268 HD3 LYS 33 HD3 LYS 33 18.710 27.916 -0.436 269 HE2 LYS 33 HE2 LYS 33 20.411 26.617 -1.535 270 HE3 LYS 33 HE3 LYS 33 20.490 26.247 0.198 271 HZ1 LYS 33 HZ1 LYS 33 20.611 24.264 -1.143 272 HZ2 LYS 33 HZ2 LYS 33 19.221 24.236 -0.261 273 HZ3 LYS 33 HZ3 LYS 33 19.168 24.589 -1.853 274 H LYS 34 H LYS 34 19.740 24.922 4.099 275 HA LYS 34 HA LYS 34 18.857 22.382 3.103 276 HB2 LYS 34 HB2 LYS 34 20.924 23.184 5.188 277 HB3 LYS 34 HB3 LYS 34 20.748 21.541 4.539 278 HG2 LYS 34 HG2 LYS 34 21.325 22.251 2.314 279 HG3 LYS 34 HG3 LYS 34 21.192 23.966 2.749 280 HD2 LYS 34 HD2 LYS 34 23.103 23.727 4.304 281 HD3 LYS 34 HD3 LYS 34 23.266 22.021 3.833 282 HE2 LYS 34 HE2 LYS 34 23.709 22.669 1.515 283 HE3 LYS 34 HE3 LYS 34 23.381 24.368 1.891 284 HZ1 LYS 34 HZ1 LYS 34 25.733 23.894 1.828 285 HZ2 LYS 34 HZ2 LYS 34 25.276 24.384 3.326 286 HZ3 LYS 34 HZ3 LYS 34 25.589 22.794 3.037 287 H HIS 35 H HIS 35 18.107 24.162 6.036 288 HA HIS 35 HA HIS 35 17.268 21.815 7.529 289 HB2 HIS 35 HB2 HIS 35 17.997 23.942 8.589 290 HB3 HIS 35 HB3 HIS 35 16.579 24.757 7.912 291 HD1 HIS 35 HD1 HIS 35 17.100 21.562 10.103 292 HD2 HIS 35 HD2 HIS 35 14.667 24.972 9.643 293 HE1 HIS 35 HE1 HIS 35 15.362 21.477 11.993 294 HE2 HIS 35 HE2 HIS 35 13.886 23.558 11.702 295 H ILE 36 H ILE 36 15.723 24.125 5.284 296 HA ILE 36 HA ILE 36 13.041 23.174 5.828 297 HB ILE 36 HB ILE 36 14.259 24.788 3.564 298 HG12 ILE 36 HG12 ILE 36 12.424 25.628 5.832 299 HG13 ILE 36 HG13 ILE 36 14.193 25.774 5.894 300 HG21 ILE 36 HG21 ILE 36 11.323 24.206 4.152 301 HG22 ILE 36 HG22 ILE 36 11.920 25.344 2.925 302 HG23 ILE 36 HG23 ILE 36 12.241 23.618 2.745 303 HD11 ILE 36 HD11 ILE 36 14.118 27.204 3.842 304 HD12 ILE 36 HD12 ILE 36 12.334 27.173 3.927 305 HD13 ILE 36 HD13 ILE 36 13.274 27.906 5.237 306 H GLU 37 H GLU 37 15.691 22.252 3.670 307 HA GLU 37 HA GLU 37 14.151 20.535 1.965 308 HB2 GLU 37 HB2 GLU 37 17.095 20.603 2.705 309 HB3 GLU 37 HB3 GLU 37 16.410 19.566 1.437 310 HG2 GLU 37 HG2 GLU 37 15.574 21.551 0.242 311 HG3 GLU 37 HG3 GLU 37 16.189 22.606 1.510 312 H ARG 38 H ARG 38 15.761 20.085 5.120 313 HA ARG 38 HA ARG 38 15.225 17.201 5.105 314 HB2 ARG 38 HB2 ARG 38 16.341 19.097 7.203 315 HB3 ARG 38 HB3 ARG 38 16.164 17.347 7.428 316 HG2 ARG 38 HG2 ARG 38 17.642 16.921 5.497 317 HG3 ARG 38 HG3 ARG 38 17.811 18.670 5.223 318 HD2 ARG 38 HD2 ARG 38 18.806 18.931 7.465 319 HD3 ARG 38 HD3 ARG 38 18.660 17.189 7.747 320 HE ARG 38 HE ARG 38 20.521 18.559 5.871 321 HH11 ARG 38 HH11 ARG 38 19.363 15.530 7.284 322 HH12 ARG 38 HH12 ARG 38 20.765 14.623 6.771 323 HH21 ARG 38 HH21 ARG 38 22.343 17.363 5.236 324 HH22 ARG 38 HH22 ARG 38 22.438 15.657 5.613 325 H GLN 39 H GLN 39 13.527 20.079 5.982 326 HA GLN 39 HA GLN 39 11.857 18.833 8.023 327 HB2 GLN 39 HB2 GLN 39 12.361 21.194 8.164 328 HB3 GLN 39 HB3 GLN 39 11.798 21.457 6.504 329 HG2 GLN 39 HG2 GLN 39 10.135 22.259 8.110 330 HG3 GLN 39 HG3 GLN 39 9.501 20.933 7.137 331 HE21 GLN 39 HE21 GLN 39 7.893 20.494 8.729 332 HE22 GLN 39 HE22 GLN 39 8.297 19.685 10.235 333 H PHE 40 H PHE 40 11.749 19.336 4.531 334 HA PHE 40 HA PHE 40 9.106 18.010 4.514 335 HB2 PHE 40 HB2 PHE 40 9.932 20.412 2.886 336 HB3 PHE 40 HB3 PHE 40 8.495 19.452 2.557 337 HD1 PHE 40 HD1 PHE 40 9.453 22.399 3.939 338 HD2 PHE 40 HD2 PHE 40 7.133 18.929 4.974 339 HE1 PHE 40 HE1 PHE 40 8.162 23.744 5.574 340 HE2 PHE 40 HE2 PHE 40 5.868 20.261 6.630 341 HZ PHE 40 HZ PHE 40 6.383 22.676 6.933 342 H ASN 41 H ASN 41 12.094 17.282 3.851 343 HA ASN 41 HA ASN 41 13.194 15.942 2.422 344 HB2 ASN 41 HB2 ASN 41 10.430 14.879 1.770 345 HB3 ASN 41 HB3 ASN 41 11.955 14.068 1.411 346 HD21 ASN 41 HD21 ASN 41 9.851 12.970 3.012 347 HD22 ASN 41 HD22 ASN 41 10.472 12.761 4.639 348 H CYS 42 H CYS 42 11.951 18.568 1.389 349 HA CYS 42 HA CYS 42 11.865 18.089 -1.515 350 HB2 CYS 42 HB2 CYS 42 11.207 20.415 -1.621 351 HB3 CYS 42 HB3 CYS 42 10.257 19.621 -0.346 352 HG CYS 42 HG CYS 42 11.527 20.486 1.656 353 H VAL 43 H VAL 43 13.045 20.081 -2.698 354 HA VAL 43 HA VAL 43 15.765 20.540 -1.584 355 HB VAL 43 HB VAL 43 15.043 19.633 -4.399 356 HG11 VAL 43 HG11 VAL 43 17.691 20.647 -3.287 357 HG12 VAL 43 HG12 VAL 43 17.472 19.866 -4.868 358 HG13 VAL 43 HG13 VAL 43 16.697 21.422 -4.550 359 HG21 VAL 43 HG21 VAL 43 15.298 17.789 -2.770 360 HG22 VAL 43 HG22 VAL 43 16.653 17.815 -3.915 361 HG23 VAL 43 HG23 VAL 43 16.866 18.447 -2.263 362 H ILE 44 H ILE 44 16.566 22.628 -2.093 363 HA ILE 44 HA ILE 44 14.695 24.406 -3.569 364 HB ILE 44 HB ILE 44 15.949 24.962 -0.859 365 HG12 ILE 44 HG12 ILE 44 13.054 24.579 -1.726 366 HG13 ILE 44 HG13 ILE 44 14.013 23.455 -0.745 367 HG21 ILE 44 HG21 ILE 44 14.146 26.727 -2.575 368 HG22 ILE 44 HG22 ILE 44 14.794 27.126 -0.969 369 HG23 ILE 44 HG23 ILE 44 15.890 26.983 -2.336 370 HD11 ILE 44 HD11 ILE 44 14.241 25.210 1.010 371 HD12 ILE 44 HD12 ILE 44 13.173 26.269 0.056 372 HD13 ILE 44 HD13 ILE 44 12.557 24.733 0.696 373 H THR 45 H THR 45 15.616 26.036 -4.715 374 HA THR 45 HA THR 45 18.546 26.284 -4.626 375 HB THR 45 HB THR 45 17.217 26.023 -7.301 376 HG1 THR 45 HG1 THR 45 17.867 23.867 -7.267 377 HG21 THR 45 HG21 THR 45 20.074 25.674 -6.300 378 HG22 THR 45 HG22 THR 45 19.522 25.436 -7.971 379 HG23 THR 45 HG23 THR 45 19.439 27.050 -7.229 380 H VAL 46 H VAL 46 18.873 28.325 -4.017 381 HA VAL 46 HA VAL 46 17.248 30.460 -5.147 382 HB VAL 46 HB VAL 46 19.763 30.728 -3.478 383 HG11 VAL 46 HG11 VAL 46 19.067 32.794 -4.618 384 HG12 VAL 46 HG12 VAL 46 17.399 32.573 -4.043 385 HG13 VAL 46 HG13 VAL 46 18.699 32.911 -2.886 386 HG21 VAL 46 HG21 VAL 46 18.134 29.344 -2.263 387 HG22 VAL 46 HG22 VAL 46 18.244 30.963 -1.553 388 HG23 VAL 46 HG23 VAL 46 16.857 30.547 -2.580 389 H HIS 47 H HIS 47 17.966 32.103 -6.570 390 HA HIS 47 HA HIS 47 20.347 31.349 -8.191 391 HB2 HIS 47 HB2 HIS 47 17.531 32.020 -9.055 392 HB3 HIS 47 HB3 HIS 47 18.917 32.138 -10.153 393 HD1 HIS 47 HD1 HIS 47 20.356 29.716 -10.383 394 HD2 HIS 47 HD2 HIS 47 16.391 29.661 -8.962 395 HE1 HIS 47 HE1 HIS 47 19.502 27.302 -10.684 396 HE2 HIS 47 HE2 HIS 47 17.069 27.297 -9.851 397 H THR 48 H THR 48 21.177 32.994 -6.531 398 HA THR 48 HA THR 48 20.432 35.706 -6.827 399 HB THR 48 HB THR 48 22.068 36.277 -5.355 400 HG1 THR 48 HG1 THR 48 24.002 35.118 -5.154 401 HG21 THR 48 HG21 THR 48 20.595 34.509 -4.370 402 HG22 THR 48 HG22 THR 48 21.805 33.283 -4.823 403 HG23 THR 48 HG23 THR 48 22.215 34.546 -3.640 404 H GLU 49 H GLU 49 22.217 33.797 -9.007 405 HA GLU 49 HA GLU 49 23.677 35.994 -10.203 406 HB2 GLU 49 HB2 GLU 49 24.225 34.447 -11.948 407 HB3 GLU 49 HB3 GLU 49 24.425 33.632 -10.403 408 HG2 GLU 49 HG2 GLU 49 21.923 33.360 -12.123 409 HG3 GLU 49 HG3 GLU 49 23.334 32.337 -12.331 410 H VAL 50 H VAL 50 20.431 35.444 -9.945 411 HA VAL 50 HA VAL 50 19.855 36.857 -12.492 412 HB VAL 50 HB VAL 50 17.893 35.140 -10.971 413 HG11 VAL 50 HG11 VAL 50 17.911 36.281 -13.790 414 HG12 VAL 50 HG12 VAL 50 16.668 35.196 -13.129 415 HG13 VAL 50 HG13 VAL 50 16.873 36.809 -12.439 416 HG21 VAL 50 HG21 VAL 50 19.693 33.669 -11.724 417 HG22 VAL 50 HG22 VAL 50 18.252 33.427 -12.725 418 HG23 VAL 50 HG23 VAL 50 19.619 34.376 -13.358 419 H GLN 51 H GLN 51 18.452 38.619 -12.441 420 HA GLN 51 HA GLN 51 17.180 39.380 -9.923 421 HB2 GLN 51 HB2 GLN 51 19.545 40.155 -9.671 422 HB3 GLN 51 HB3 GLN 51 19.354 41.155 -11.120 423 HG2 GLN 51 HG2 GLN 51 17.564 42.446 -10.004 424 HG3 GLN 51 HG3 GLN 51 17.638 41.361 -8.605 425 HE21 GLN 51 HE21 GLN 51 18.161 43.036 -7.121 426 HE22 GLN 51 HE22 GLN 51 19.727 43.813 -7.140 427 H SER 52 H SER 52 15.227 40.017 -10.541 428 HA SER 52 HA SER 52 14.644 40.835 -13.266 429 HB2 SER 52 HB2 SER 52 13.109 39.479 -11.823 430 HB3 SER 52 HB3 SER 52 12.892 40.899 -10.778 431 HG SER 52 HG SER 52 12.193 40.620 -13.512 432 H SER 53 H SER 53 13.168 42.880 -13.540 433 HA SER 53 HA SER 53 14.613 45.228 -12.798 434 HB2 SER 53 HB2 SER 53 11.735 44.863 -13.727 435 HB3 SER 53 HB3 SER 53 12.617 46.406 -13.699 436 HG SER 53 HG SER 53 14.051 45.578 -15.203 437 H PHE 54 H PHE 54 12.379 43.245 -11.065 438 HA PHE 54 HA PHE 54 11.419 45.248 -9.208 439 HB2 PHE 54 HB2 PHE 54 11.591 42.223 -9.028 440 HB3 PHE 54 HB3 PHE 54 10.712 43.264 -7.905 441 HD1 PHE 54 HD1 PHE 54 10.393 41.253 -10.768 442 HD2 PHE 54 HD2 PHE 54 8.990 44.935 -9.061 443 HE1 PHE 54 HE1 PHE 54 8.376 41.158 -12.221 444 HE2 PHE 54 HE2 PHE 54 6.966 44.839 -10.507 445 HZ PHE 54 HZ PHE 54 6.663 42.940 -12.085 446 H GLY 55 H GLY 55 14.468 43.825 -9.662 447 HA2 GLY 55 HA2 GLY 55 16.414 44.097 -8.457 448 HA3 GLY 55 HA3 GLY 55 15.502 44.923 -7.182 449 H ALA 56 H ALA 56 13.799 42.127 -7.681 450 HA ALA 56 HA ALA 56 14.868 40.924 -5.253 451 HB1 ALA 56 HB1 ALA 56 12.461 41.120 -5.614 452 HB2 ALA 56 HB2 ALA 56 12.587 40.159 -7.108 453 HB3 ALA 56 HB3 ALA 56 12.930 39.407 -5.532 454 H THR 57 H THR 57 15.214 38.576 -5.094 455 HA THR 57 HA THR 57 16.708 37.476 -7.447 456 HB THR 57 HB THR 57 17.001 37.286 -4.429 457 HG1 THR 57 HG1 THR 57 18.201 38.833 -5.529 458 HG21 THR 57 HG21 THR 57 18.152 35.384 -6.503 459 HG22 THR 57 HG22 THR 57 18.712 35.521 -4.818 460 HG23 THR 57 HG23 THR 57 17.062 34.968 -5.157 461 HA PRO 58 HA PRO 58 13.316 34.516 -7.183 462 HB2 PRO 58 HB2 PRO 58 13.915 32.976 -9.306 463 HB3 PRO 58 HB3 PRO 58 13.423 34.690 -9.509 464 HG2 PRO 58 HG2 PRO 58 16.238 33.560 -9.494 465 HG3 PRO 58 HG3 PRO 58 15.505 34.708 -10.660 466 HD2 PRO 58 HD2 PRO 58 17.049 35.483 -8.493 467 HD3 PRO 58 HD3 PRO 58 15.748 36.500 -9.176 468 H VAL 59 H VAL 59 12.992 32.251 -6.767 469 HA VAL 59 HA VAL 59 15.331 30.555 -6.193 470 HB VAL 59 HB VAL 59 15.028 31.609 -4.054 471 HG11 VAL 59 HG11 VAL 59 12.807 32.584 -4.319 472 HG12 VAL 59 HG12 VAL 59 12.066 30.963 -4.337 473 HG13 VAL 59 HG13 VAL 59 12.845 31.580 -2.863 474 HG21 VAL 59 HG21 VAL 59 14.415 29.761 -2.625 475 HG22 VAL 59 HG22 VAL 59 13.540 28.960 -3.936 476 HG23 VAL 59 HG23 VAL 59 15.314 29.133 -4.023 477 H GLU 60 H GLU 60 14.740 28.331 -6.126 478 HA GLU 60 HA GLU 60 12.053 27.705 -7.262 479 HB2 GLU 60 HB2 GLU 60 14.792 26.727 -8.108 480 HB3 GLU 60 HB3 GLU 60 13.278 25.955 -8.614 481 HG2 GLU 60 HG2 GLU 60 12.532 27.964 -9.725 482 HG3 GLU 60 HG3 GLU 60 13.851 28.921 -9.035 483 H ILE 61 H ILE 61 11.349 25.498 -6.922 484 HA ILE 61 HA ILE 61 12.639 24.118 -4.629 485 HB ILE 61 HB ILE 61 9.670 24.701 -4.862 486 HG12 ILE 61 HG12 ILE 61 11.765 25.941 -3.032 487 HG13 ILE 61 HG13 ILE 61 10.922 26.752 -4.366 488 HG21 ILE 61 HG21 ILE 61 11.271 23.415 -2.616 489 HG22 ILE 61 HG22 ILE 61 9.521 23.737 -2.602 490 HG23 ILE 61 HG23 ILE 61 10.183 22.564 -3.732 491 HD11 ILE 61 HD11 ILE 61 8.750 26.348 -3.206 492 HD12 ILE 61 HD12 ILE 61 9.655 25.699 -1.813 493 HD13 ILE 61 HD13 ILE 61 9.862 27.391 -2.293 494 H VAL 62 H VAL 62 12.299 21.877 -4.593 495 HA VAL 62 HA VAL 62 10.766 20.647 -6.813 496 HB VAL 62 HB VAL 62 13.686 20.056 -6.160 497 HG11 VAL 62 HG11 VAL 62 11.782 18.737 -8.131 498 HG12 VAL 62 HG12 VAL 62 13.528 18.421 -8.019 499 HG13 VAL 62 HG13 VAL 62 12.471 17.981 -6.671 500 HG21 VAL 62 HG21 VAL 62 14.095 20.704 -8.507 501 HG22 VAL 62 HG22 VAL 62 12.381 21.141 -8.684 502 HG23 VAL 62 HG23 VAL 62 13.429 22.054 -7.567 503 H ALA 63 H ALA 63 9.837 18.678 -6.244 504 HA ALA 63 HA ALA 63 10.712 17.252 -3.858 505 HB1 ALA 63 HB1 ALA 63 8.647 17.525 -2.596 506 HB2 ALA 63 HB2 ALA 63 9.337 19.134 -2.913 507 HB3 ALA 63 HB3 ALA 63 7.958 18.543 -3.872 508 H GLN 64 H GLN 64 9.089 15.424 -3.378 509 HA GLN 64 HA GLN 64 8.774 13.890 -5.787 510 HB2 GLN 64 HB2 GLN 64 7.637 13.361 -3.006 511 HB3 GLN 64 HB3 GLN 64 7.895 12.190 -4.298 512 HG2 GLN 64 HG2 GLN 64 9.677 11.840 -2.822 513 HG3 GLN 64 HG3 GLN 64 10.379 12.751 -4.170 514 HE21 GLN 64 HE21 GLN 64 12.129 13.231 -2.560 515 HE22 GLN 64 HE22 GLN 64 11.884 14.555 -1.442 516 H ASN 65 H ASN 65 6.660 15.942 -3.862 517 HA ASN 65 HA ASN 65 4.367 15.502 -5.654 518 HB2 ASN 65 HB2 ASN 65 4.405 14.800 -2.693 519 HB3 ASN 65 HB3 ASN 65 2.914 14.983 -3.636 520 HD21 ASN 65 HD21 ASN 65 5.082 12.786 -2.421 521 HD22 ASN 65 HD22 ASN 65 4.802 11.451 -3.525 522 H LYS 66 H LYS 66 2.643 17.101 -5.222 523 HA LYS 66 HA LYS 66 3.674 19.665 -4.435 524 HB2 LYS 66 HB2 LYS 66 0.793 18.729 -4.791 525 HB3 LYS 66 HB3 LYS 66 1.326 20.410 -4.644 526 HG2 LYS 66 HG2 LYS 66 2.761 20.093 -6.675 527 HG3 LYS 66 HG3 LYS 66 2.034 18.477 -6.884 528 HD2 LYS 66 HD2 LYS 66 -0.228 19.539 -6.941 529 HD3 LYS 66 HD3 LYS 66 0.531 21.135 -6.812 530 HE2 LYS 66 HE2 LYS 66 0.886 19.143 -9.083 531 HE3 LYS 66 HE3 LYS 66 -0.066 20.633 -9.124 532 HZ1 LYS 66 HZ1 LYS 66 1.998 21.846 -8.708 533 HZ2 LYS 66 HZ2 LYS 66 2.849 20.432 -8.837 534 HZ3 LYS 66 HZ3 LYS 66 2.021 21.011 -10.123 535 H GLU 67 H GLU 67 2.228 17.020 -2.661 536 HA GLU 67 HA GLU 67 1.341 18.519 -0.380 537 HB2 GLU 67 HB2 GLU 67 2.263 15.625 -0.633 538 HB3 GLU 67 HB3 GLU 67 1.386 16.316 0.743 539 HG2 GLU 67 HG2 GLU 67 -0.487 16.925 -0.801 540 HG3 GLU 67 HG3 GLU 67 0.376 16.129 -2.128 541 H GLN 68 H GLN 68 4.497 17.762 -1.572 542 HA GLN 68 HA GLN 68 5.688 18.421 1.089 543 HB2 GLN 68 HB2 GLN 68 6.878 16.948 -1.293 544 HB3 GLN 68 HB3 GLN 68 7.714 17.306 0.223 545 HG2 GLN 68 HG2 GLN 68 5.255 15.531 -0.112 546 HG3 GLN 68 HG3 GLN 68 6.911 14.995 0.191 547 HE21 GLN 68 HE21 GLN 68 7.737 16.848 2.178 548 HE22 GLN 68 HE22 GLN 68 6.767 16.585 3.614 549 H CYS 69 H CYS 69 5.313 19.425 -2.265 550 HA CYS 69 HA CYS 69 7.668 21.151 -2.237 551 HB2 CYS 69 HB2 CYS 69 6.564 19.938 -4.252 552 HB3 CYS 69 HB3 CYS 69 5.336 21.220 -4.196 553 HG CYS 69 HG CYS 69 6.921 23.218 -4.446 554 H GLN 70 H GLN 70 4.112 21.482 -1.815 555 HA GLN 70 HA GLN 70 4.140 24.369 -1.875 556 HB2 GLN 70 HB2 GLN 70 2.119 22.364 -0.799 557 HB3 GLN 70 HB3 GLN 70 1.817 24.095 -0.963 558 HG2 GLN 70 HG2 GLN 70 2.577 22.280 -3.302 559 HG3 GLN 70 HG3 GLN 70 0.915 22.653 -2.844 560 HE21 GLN 70 HE21 GLN 70 1.442 23.259 -5.340 561 HE22 GLN 70 HE22 GLN 70 1.677 24.979 -5.568 562 H GLU 71 H GLU 71 4.604 21.923 0.657 563 HA GLU 71 HA GLU 71 4.085 23.727 2.846 564 HB2 GLU 71 HB2 GLU 71 5.732 21.166 2.725 565 HB3 GLU 71 HB3 GLU 71 5.157 21.964 4.203 566 HG2 GLU 71 HG2 GLU 71 3.374 20.831 2.002 567 HG3 GLU 71 HG3 GLU 71 3.751 20.025 3.528 568 H ALA 72 H ALA 72 6.947 22.923 0.892 569 HA ALA 72 HA ALA 72 8.755 24.437 2.607 570 HB1 ALA 72 HB1 ALA 72 9.055 23.347 -0.220 571 HB2 ALA 72 HB2 ALA 72 10.374 23.983 0.800 572 HB3 ALA 72 HB3 ALA 72 9.510 22.503 1.275 573 H ARG 73 H ARG 73 6.671 25.051 -0.165 574 HA ARG 73 HA ARG 73 7.898 27.538 -0.979 575 HB2 ARG 73 HB2 ARG 73 6.590 26.265 -2.559 576 HB3 ARG 73 HB3 ARG 73 5.208 26.204 -1.464 577 HG2 ARG 73 HG2 ARG 73 4.818 27.805 -3.267 578 HG3 ARG 73 HG3 ARG 73 4.834 28.604 -1.694 579 HD2 ARG 73 HD2 ARG 73 7.047 29.507 -2.074 580 HD3 ARG 73 HD3 ARG 73 7.288 28.468 -3.480 581 HE ARG 73 HE ARG 73 6.271 30.045 -4.777 582 HH11 ARG 73 HH11 ARG 73 5.078 30.482 -1.479 583 HH12 ARG 73 HH12 ARG 73 4.069 31.846 -1.910 584 HH21 ARG 73 HH21 ARG 73 4.965 31.839 -5.292 585 HH22 ARG 73 HH22 ARG 73 4.029 32.620 -4.050 586 H ASN 74 H ASN 74 5.156 26.647 1.141 587 HA ASN 74 HA ASN 74 4.491 29.436 1.628 588 HB2 ASN 74 HB2 ASN 74 3.518 26.791 2.763 589 HB3 ASN 74 HB3 ASN 74 2.886 28.352 3.299 590 HD21 ASN 74 HD21 ASN 74 1.960 25.891 1.472 591 HD22 ASN 74 HD22 ASN 74 1.117 26.735 0.185 592 H ALA 75 H ALA 75 6.890 27.338 2.920 593 HA ALA 75 HA ALA 75 6.861 28.505 5.594 594 HB1 ALA 75 HB1 ALA 75 8.918 27.178 5.880 595 HB2 ALA 75 HB2 ALA 75 7.612 26.195 5.181 596 HB3 ALA 75 HB3 ALA 75 8.925 26.799 4.142 597 H VAL 76 H VAL 76 8.526 29.105 2.489 598 HA VAL 76 HA VAL 76 10.565 30.767 3.750 599 HB VAL 76 HB VAL 76 9.861 30.178 0.842 600 HG11 VAL 76 HG11 VAL 76 12.293 31.581 2.024 601 HG12 VAL 76 HG12 VAL 76 12.184 30.982 0.354 602 HG13 VAL 76 HG13 VAL 76 11.099 32.276 0.894 603 HG21 VAL 76 HG21 VAL 76 10.642 28.230 2.170 604 HG22 VAL 76 HG22 VAL 76 11.829 28.708 0.934 605 HG23 VAL 76 HG23 VAL 76 12.095 29.138 2.638 606 H MET 77 H MET 77 7.317 31.263 2.843 607 HA MET 77 HA MET 77 7.713 34.019 1.955 608 HB2 MET 77 HB2 MET 77 5.209 32.399 2.546 609 HB3 MET 77 HB3 MET 77 5.223 34.010 1.801 610 HG2 MET 77 HG2 MET 77 6.670 31.607 0.626 611 HG3 MET 77 HG3 MET 77 5.010 32.044 0.232 612 HE1 MET 77 HE1 MET 77 8.849 33.752 -1.487 613 HE2 MET 77 HE2 MET 77 8.744 33.399 0.256 614 HE3 MET 77 HE3 MET 77 8.465 32.105 -0.932 615 H SER 78 H SER 78 7.688 32.611 5.043 616 HA SER 78 HA SER 78 7.292 35.262 6.221 617 HB2 SER 78 HB2 SER 78 4.961 34.545 6.012 618 HB3 SER 78 HB3 SER 78 5.347 32.996 6.783 619 HG SER 78 HG SER 78 5.493 35.578 7.945 620 H LEU 79 H LEU 79 7.810 31.736 6.733 621 HA LEU 79 HA LEU 79 8.849 32.246 9.441 622 HB2 LEU 79 HB2 LEU 79 8.713 29.679 7.808 623 HB3 LEU 79 HB3 LEU 79 9.059 29.809 9.538 624 HG LEU 79 HG LEU 79 6.448 30.613 8.172 625 HD11 LEU 79 HD11 LEU 79 7.140 28.254 9.976 626 HD12 LEU 79 HD12 LEU 79 5.520 28.653 9.350 627 HD13 LEU 79 HD13 LEU 79 6.815 28.171 8.233 628 HD21 LEU 79 HD21 LEU 79 7.238 30.522 11.116 629 HD22 LEU 79 HD22 LEU 79 6.863 31.986 10.170 630 HD23 LEU 79 HD23 LEU 79 5.591 30.790 10.503 631 H MET 80 H MET 80 10.034 31.090 6.287 632 HA MET 80 HA MET 80 12.078 30.766 5.411 633 HB2 MET 80 HB2 MET 80 12.919 33.144 7.103 634 HB3 MET 80 HB3 MET 80 13.606 32.609 5.554 635 HG2 MET 80 HG2 MET 80 11.323 33.001 4.522 636 HG3 MET 80 HG3 MET 80 10.812 33.696 6.059 637 HE1 MET 80 HE1 MET 80 12.582 34.179 2.718 638 HE2 MET 80 HE2 MET 80 13.719 35.521 2.985 639 HE3 MET 80 HE3 MET 80 14.024 33.943 3.741 640 H GLN 81 H GLN 81 11.526 29.717 8.344 641 HA GLN 81 HA GLN 81 12.603 28.696 10.028 642 HB2 GLN 81 HB2 GLN 81 14.283 27.810 7.665 643 HB3 GLN 81 HB3 GLN 81 14.495 27.152 9.292 644 HG2 GLN 81 HG2 GLN 81 11.896 27.121 7.705 645 HG3 GLN 81 HG3 GLN 81 12.992 25.750 7.927 646 HE21 GLN 81 HE21 GLN 81 10.213 25.766 8.669 647 HE22 GLN 81 HE22 GLN 81 10.147 25.554 10.404 648 H SER 82 H SER 82 13.544 31.500 9.337 649 HA SER 82 HA SER 82 15.644 31.518 11.367 650 HB2 SER 82 HB2 SER 82 16.888 31.049 9.274 651 HB3 SER 82 HB3 SER 82 16.233 32.543 8.561 652 HG SER 82 HG SER 82 17.252 33.678 10.274 653 H HIS 83 H HIS 83 12.868 32.824 10.190 654 HA HIS 83 HA HIS 83 13.515 35.643 10.427 655 HB2 HIS 83 HB2 HIS 83 11.810 34.610 8.864 656 HB3 HIS 83 HB3 HIS 83 10.786 34.324 10.270 657 HD1 HIS 83 HD1 HIS 83 9.055 36.018 8.932 658 HD2 HIS 83 HD2 HIS 83 12.649 37.650 10.399 659 HE1 HIS 83 HE1 HIS 83 8.760 38.578 8.912 660 HE2 HIS 83 HE2 HIS 83 10.964 39.552 9.805 661 H GLN 84 H GLN 84 13.914 33.754 12.804 662 HA GLN 84 HA GLN 84 11.916 34.338 14.748 663 HB2 GLN 84 HB2 GLN 84 13.402 32.397 14.853 664 HB3 GLN 84 HB3 GLN 84 14.818 33.443 14.956 665 HG2 GLN 84 HG2 GLN 84 14.265 32.517 17.147 666 HG3 GLN 84 HG3 GLN 84 14.100 34.267 17.160 667 HE21 GLN 84 HE21 GLN 84 12.790 33.809 19.130 668 HE22 GLN 84 HE22 GLN 84 11.098 33.400 18.928 669 H ASP 85 H ASP 85 14.325 36.362 13.390 670 HA ASP 85 HA ASP 85 14.843 37.910 15.750 671 HB2 ASP 85 HB2 ASP 85 15.876 39.557 14.116 672 HB3 ASP 85 HB3 ASP 85 16.593 37.962 14.308 673 H LYS 86 H LYS 86 11.965 37.666 14.390 674 HA LYS 86 HA LYS 86 11.171 40.294 15.407 675 HB2 LYS 86 HB2 LYS 86 11.657 40.794 13.062 676 HB3 LYS 86 HB3 LYS 86 10.625 39.450 12.534 677 HG2 LYS 86 HG2 LYS 86 8.650 40.521 13.538 678 HG3 LYS 86 HG3 LYS 86 9.650 41.854 14.142 679 HD2 LYS 86 HD2 LYS 86 9.219 41.109 11.221 680 HD3 LYS 86 HD3 LYS 86 8.447 42.461 12.065 681 HE2 LYS 86 HE2 LYS 86 11.442 42.130 11.593 682 HE3 LYS 86 HE3 LYS 86 10.368 43.204 10.691 683 HZ1 LYS 86 HZ1 LYS 86 10.915 43.392 13.583 684 HZ2 LYS 86 HZ2 LYS 86 11.536 44.372 12.423 685 HZ3 LYS 86 HZ3 LYS 86 9.922 44.386 12.726 Start of MODEL 2 1 H1 SER 1 H SER 1 3.606 11.783 -19.033 2 HA SER 1 HA SER 1 3.956 9.439 -19.120 3 HB2 SER 1 HB2 SER 1 5.879 10.843 -18.615 4 HB3 SER 1 HB3 SER 1 5.459 10.850 -16.887 5 HG SER 1 HG SER 1 7.050 9.278 -17.432 6 H GLY 2 H GLY 2 3.721 10.355 -15.615 7 HA2 GLY 2 HA2 GLY 2 1.655 8.580 -14.947 8 HA3 GLY 2 HA3 GLY 2 3.177 7.689 -14.762 9 H SER 3 H SER 3 1.955 7.857 -12.472 10 HA SER 3 HA SER 3 2.296 10.275 -10.984 11 HB2 SER 3 HB2 SER 3 0.723 8.589 -10.268 12 HB3 SER 3 HB3 SER 3 2.005 7.368 -10.131 13 HG SER 3 HG SER 3 1.444 8.375 -8.118 14 H HIS 4 H HIS 4 3.838 10.806 -9.372 15 HA HIS 4 HA HIS 4 6.542 10.317 -10.132 16 HB2 HIS 4 HB2 HIS 4 5.505 11.420 -7.501 17 HB3 HIS 4 HB3 HIS 4 7.100 11.687 -8.219 18 HD1 HIS 4 HD1 HIS 4 6.503 12.710 -11.040 19 HD2 HIS 4 HD2 HIS 4 4.156 13.617 -7.663 20 HE1 HIS 4 HE1 HIS 4 5.253 14.897 -11.582 21 HE2 HIS 4 HE2 HIS 4 3.835 15.437 -9.511 22 H MET 5 H MET 5 4.428 8.289 -8.455 23 HA MET 5 HA MET 5 6.339 7.093 -6.624 24 HB2 MET 5 HB2 MET 5 3.927 7.078 -6.209 25 HB3 MET 5 HB3 MET 5 3.640 6.181 -7.708 26 HG2 MET 5 HG2 MET 5 4.896 4.263 -6.844 27 HG3 MET 5 HG3 MET 5 5.294 5.156 -5.372 28 HE1 MET 5 HE1 MET 5 2.580 6.622 -4.603 29 HE2 MET 5 HE2 MET 5 1.865 5.404 -3.524 30 HE3 MET 5 HE3 MET 5 3.612 5.722 -3.464 31 H LYS 6 H LYS 6 5.803 6.903 -10.039 32 HA LYS 6 HA LYS 6 7.501 4.475 -10.167 33 HB2 LYS 6 HB2 LYS 6 4.947 4.922 -11.750 34 HB3 LYS 6 HB3 LYS 6 6.080 3.582 -11.982 35 HG2 LYS 6 HG2 LYS 6 5.669 2.850 -9.632 36 HG3 LYS 6 HG3 LYS 6 4.477 4.154 -9.453 37 HD2 LYS 6 HD2 LYS 6 3.140 3.186 -11.307 38 HD3 LYS 6 HD3 LYS 6 4.359 1.925 -11.535 39 HE2 LYS 6 HE2 LYS 6 2.487 1.048 -10.235 40 HE3 LYS 6 HE3 LYS 6 3.949 1.098 -9.245 41 HZ1 LYS 6 HZ1 LYS 6 3.144 3.128 -8.258 42 HZ2 LYS 6 HZ2 LYS 6 1.785 3.095 -9.191 43 HZ3 LYS 6 HZ3 LYS 6 2.041 1.928 -8.059 44 H THR 7 H THR 7 7.592 7.574 -10.753 45 HA THR 7 HA THR 7 9.226 7.212 -13.164 46 HB THR 7 HB THR 7 8.317 8.865 -14.464 47 HG1 THR 7 HG1 THR 7 6.742 10.306 -13.635 48 HG21 THR 7 HG21 THR 7 5.923 8.432 -14.712 49 HG22 THR 7 HG22 THR 7 6.801 6.911 -14.446 50 HG23 THR 7 HG23 THR 7 5.863 7.647 -13.119 51 H CYS 8 H CYS 8 10.712 8.923 -13.690 52 HA CYS 8 HA CYS 8 11.957 9.962 -11.283 53 HB2 CYS 8 HB2 CYS 8 12.626 10.208 -14.241 54 HB3 CYS 8 HB3 CYS 8 13.665 10.794 -12.920 55 HG CYS 8 HG CYS 8 14.108 8.610 -11.758 56 H VAL 9 H VAL 9 9.335 11.095 -12.939 57 HA VAL 9 HA VAL 9 10.024 13.857 -13.269 58 HB VAL 9 HB VAL 9 7.262 12.661 -12.928 59 HG11 VAL 9 HG11 VAL 9 8.268 15.170 -14.331 60 HG12 VAL 9 HG12 VAL 9 6.597 14.570 -14.366 61 HG13 VAL 9 HG13 VAL 9 7.309 15.119 -12.836 62 HG21 VAL 9 HG21 VAL 9 8.483 11.436 -14.681 63 HG22 VAL 9 HG22 VAL 9 7.233 12.471 -15.392 64 HG23 VAL 9 HG23 VAL 9 8.937 12.971 -15.447 65 H VAL 10 H VAL 10 9.437 15.671 -12.014 66 HA VAL 10 HA VAL 10 8.672 15.140 -9.196 67 HB VAL 10 HB VAL 10 10.492 16.511 -8.364 68 HG11 VAL 10 HG11 VAL 10 11.588 14.364 -10.223 69 HG12 VAL 10 HG12 VAL 10 12.381 15.028 -8.779 70 HG13 VAL 10 HG13 VAL 10 10.889 14.079 -8.610 71 HG21 VAL 10 HG21 VAL 10 10.804 18.019 -10.278 72 HG22 VAL 10 HG22 VAL 10 12.338 17.237 -9.860 73 HG23 VAL 10 HG23 VAL 10 11.421 16.670 -11.264 74 H GLU 11 H GLU 11 8.000 17.044 -8.026 75 HA GLU 11 HA GLU 11 6.527 18.925 -9.698 76 HB2 GLU 11 HB2 GLU 11 6.889 18.665 -6.684 77 HB3 GLU 11 HB3 GLU 11 5.787 19.810 -7.465 78 HG2 GLU 11 HG2 GLU 11 5.655 16.782 -7.757 79 HG3 GLU 11 HG3 GLU 11 4.658 17.750 -6.660 80 H LYS 12 H LYS 12 6.703 21.224 -9.517 81 HA LYS 12 HA LYS 12 9.178 22.293 -8.349 82 HB2 LYS 12 HB2 LYS 12 8.502 22.594 -11.301 83 HB3 LYS 12 HB3 LYS 12 9.694 23.574 -10.426 84 HG2 LYS 12 HG2 LYS 12 10.877 21.427 -9.792 85 HG3 LYS 12 HG3 LYS 12 9.794 20.573 -10.911 86 HD2 LYS 12 HD2 LYS 12 11.837 21.056 -12.097 87 HD3 LYS 12 HD3 LYS 12 10.595 22.158 -12.731 88 HE2 LYS 12 HE2 LYS 12 11.428 23.947 -11.235 89 HE3 LYS 12 HE3 LYS 12 12.655 22.836 -10.599 90 HZ1 LYS 12 HZ1 LYS 12 12.431 23.719 -13.399 91 HZ2 LYS 12 HZ2 LYS 12 13.531 24.272 -12.311 92 HZ3 LYS 12 HZ3 LYS 12 13.585 22.705 -12.804 93 H ILE 13 H ILE 13 9.159 24.444 -7.893 94 HA ILE 13 HA ILE 13 6.814 26.100 -8.587 95 HB ILE 13 HB ILE 13 7.770 25.542 -5.750 96 HG12 ILE 13 HG12 ILE 13 5.059 25.091 -7.065 97 HG13 ILE 13 HG13 ILE 13 6.240 23.833 -6.658 98 HG21 ILE 13 HG21 ILE 13 5.739 27.571 -6.752 99 HG22 ILE 13 HG22 ILE 13 6.038 27.174 -5.042 100 HG23 ILE 13 HG23 ILE 13 7.314 27.929 -5.993 101 HD11 ILE 13 HD11 ILE 13 4.605 23.842 -4.922 102 HD12 ILE 13 HD12 ILE 13 6.093 24.549 -4.251 103 HD13 ILE 13 HD13 ILE 13 4.725 25.598 -4.702 104 H LYS 14 H LYS 14 7.292 28.354 -8.449 105 HA LYS 14 HA LYS 14 10.106 29.063 -7.866 106 HB2 LYS 14 HB2 LYS 14 10.064 28.603 -10.262 107 HB3 LYS 14 HB3 LYS 14 8.642 29.631 -10.470 108 HG2 LYS 14 HG2 LYS 14 9.944 31.611 -9.766 109 HG3 LYS 14 HG3 LYS 14 11.380 30.578 -9.532 110 HD2 LYS 14 HD2 LYS 14 11.294 29.944 -11.925 111 HD3 LYS 14 HD3 LYS 14 9.874 30.994 -12.150 112 HE2 LYS 14 HE2 LYS 14 11.208 32.949 -11.427 113 HE3 LYS 14 HE3 LYS 14 12.629 31.912 -11.220 114 HZ1 LYS 14 HZ1 LYS 14 12.520 31.398 -13.564 115 HZ2 LYS 14 HZ2 LYS 14 11.213 32.376 -13.755 116 HZ3 LYS 14 HZ3 LYS 14 12.667 33.021 -13.330 117 H GLN 15 H GLN 15 10.343 31.065 -6.933 118 HA GLN 15 HA GLN 15 8.235 33.059 -7.168 119 HB2 GLN 15 HB2 GLN 15 7.304 31.660 -5.414 120 HB3 GLN 15 HB3 GLN 15 8.831 31.698 -4.512 121 HG2 GLN 15 HG2 GLN 15 7.115 33.264 -3.582 122 HG3 GLN 15 HG3 GLN 15 8.587 34.089 -4.096 123 HE21 GLN 15 HE21 GLN 15 7.788 36.110 -4.637 124 HE22 GLN 15 HE22 GLN 15 6.600 36.377 -5.891 125 H TRP 16 H TRP 16 8.870 35.134 -6.448 126 HA TRP 16 HA TRP 16 11.794 35.512 -6.307 127 HB2 TRP 16 HB2 TRP 16 9.502 37.467 -6.670 128 HB3 TRP 16 HB3 TRP 16 11.217 37.845 -6.815 129 HD1 TRP 16 HD1 TRP 16 8.443 35.914 -8.633 130 HE1 TRP 16 HE1 TRP 16 9.093 35.552 -11.067 131 HE3 TRP 16 HE3 TRP 16 13.193 37.803 -8.475 132 HZ2 TRP 16 HZ2 TRP 16 11.390 36.044 -12.764 133 HZ3 TRP 16 HZ3 TRP 16 14.573 37.872 -10.528 134 HH2 TRP 16 HH2 TRP 16 13.692 36.989 -12.665 135 H ILE 17 H ILE 17 12.800 36.671 -4.674 136 HA ILE 17 HA ILE 17 11.144 37.775 -2.493 137 HB ILE 17 HB ILE 17 12.437 36.834 -0.767 138 HG12 ILE 17 HG12 ILE 17 14.332 35.759 -2.883 139 HG13 ILE 17 HG13 ILE 17 14.655 37.030 -1.684 140 HG21 ILE 17 HG21 ILE 17 12.013 34.537 -2.714 141 HG22 ILE 17 HG22 ILE 17 12.024 34.469 -0.934 142 HG23 ILE 17 HG23 ILE 17 10.722 35.329 -1.768 143 HD11 ILE 17 HD11 ILE 17 14.116 34.092 -1.093 144 HD12 ILE 17 HD12 ILE 17 15.660 34.943 -0.943 145 HD13 ILE 17 HD13 ILE 17 14.319 35.367 0.140 146 HA PRO 18 HA PRO 18 13.825 41.173 -3.428 147 HB2 PRO 18 HB2 PRO 18 13.677 42.623 -1.097 148 HB3 PRO 18 HB3 PRO 18 12.333 42.518 -2.278 149 HG2 PRO 18 HG2 PRO 18 12.724 40.856 0.233 150 HG3 PRO 18 HG3 PRO 18 11.248 41.737 -0.292 151 HD2 PRO 18 HD2 PRO 18 11.532 39.089 -0.772 152 HD3 PRO 18 HD3 PRO 18 10.836 40.162 -2.028 153 H THR 19 H THR 19 15.975 41.854 -3.078 154 HA THR 19 HA THR 19 17.604 39.876 -1.946 155 HB THR 19 HB THR 19 18.778 42.554 -2.500 156 HG1 THR 19 HG1 THR 19 17.396 42.314 -4.198 157 HG21 THR 19 HG21 THR 19 19.574 39.680 -3.127 158 HG22 THR 19 HG22 THR 19 20.531 41.129 -3.509 159 HG23 THR 19 HG23 THR 19 20.242 40.680 -1.817 160 H THR 20 H THR 20 15.973 42.284 -0.301 161 HA THR 20 HA THR 20 17.868 42.631 1.825 162 HB THR 20 HB THR 20 16.421 44.079 2.802 163 HG1 THR 20 HG1 THR 20 14.191 43.950 2.557 164 HG21 THR 20 HG21 THR 20 15.421 44.074 -0.083 165 HG22 THR 20 HG22 THR 20 15.381 45.436 1.053 166 HG23 THR 20 HG23 THR 20 16.943 44.819 0.460 167 H GLU 21 H GLU 21 15.957 39.972 1.085 168 HA GLU 21 HA GLU 21 16.392 39.012 3.848 169 HB2 GLU 21 HB2 GLU 21 14.235 37.997 3.993 170 HB3 GLU 21 HB3 GLU 21 14.035 39.717 3.622 171 HG2 GLU 21 HG2 GLU 21 13.705 39.124 1.217 172 HG3 GLU 21 HG3 GLU 21 13.818 37.405 1.646 173 H VAL 22 H VAL 22 17.401 38.599 0.810 174 HA VAL 22 HA VAL 22 17.205 35.744 0.464 175 HB VAL 22 HB VAL 22 19.263 37.827 -0.400 176 HG11 VAL 22 HG11 VAL 22 19.087 34.889 -1.180 177 HG12 VAL 22 HG12 VAL 22 20.086 36.109 -2.000 178 HG13 VAL 22 HG13 VAL 22 20.427 35.680 -0.317 179 HG21 VAL 22 HG21 VAL 22 16.958 37.936 -1.401 180 HG22 VAL 22 HG22 VAL 22 18.223 37.558 -2.593 181 HG23 VAL 22 HG23 VAL 22 17.169 36.270 -1.973 182 H GLY 23 H GLY 23 19.037 37.849 2.614 183 HA2 GLY 23 HA2 GLY 23 21.057 35.961 3.389 184 HA3 GLY 23 HA3 GLY 23 20.533 37.399 4.292 185 H LYS 24 H LYS 24 17.649 36.068 3.994 186 HA LYS 24 HA LYS 24 17.802 34.605 6.529 187 HB2 LYS 24 HB2 LYS 24 15.429 35.178 4.718 188 HB3 LYS 24 HB3 LYS 24 15.357 34.581 6.382 189 HG2 LYS 24 HG2 LYS 24 16.442 37.295 5.516 190 HG3 LYS 24 HG3 LYS 24 14.866 36.991 6.260 191 HD2 LYS 24 HD2 LYS 24 16.007 36.100 8.282 192 HD3 LYS 24 HD3 LYS 24 17.586 36.470 7.546 193 HE2 LYS 24 HE2 LYS 24 16.958 38.855 7.405 194 HE3 LYS 24 HE3 LYS 24 15.386 38.488 8.132 195 HZ1 LYS 24 HZ1 LYS 24 18.002 38.077 9.427 196 HZ2 LYS 24 HZ2 LYS 24 16.949 39.286 9.761 197 HZ3 LYS 24 HZ3 LYS 24 16.538 37.733 10.099 198 H ILE 25 H ILE 25 18.600 33.725 3.499 199 HA ILE 25 HA ILE 25 17.742 30.913 3.982 200 HB ILE 25 HB ILE 25 17.879 32.308 1.288 201 HG12 ILE 25 HG12 ILE 25 15.426 31.466 2.876 202 HG13 ILE 25 HG13 ILE 25 15.957 33.132 2.558 203 HG21 ILE 25 HG21 ILE 25 18.456 29.904 1.228 204 HG22 ILE 25 HG22 ILE 25 16.930 29.518 2.063 205 HG23 ILE 25 HG23 ILE 25 16.922 30.203 0.419 206 HD11 ILE 25 HD11 ILE 25 15.022 31.100 0.503 207 HD12 ILE 25 HD12 ILE 25 14.233 32.620 0.973 208 HD13 ILE 25 HD13 ILE 25 15.778 32.667 0.099 209 H LEU 26 H LEU 26 20.105 33.212 2.626 210 HA LEU 26 HA LEU 26 22.068 30.990 2.362 211 HB2 LEU 26 HB2 LEU 26 22.025 33.629 0.873 212 HB3 LEU 26 HB3 LEU 26 23.093 32.257 0.565 213 HG LEU 26 HG LEU 26 20.067 32.286 0.157 214 HD11 LEU 26 HD11 LEU 26 21.304 33.677 -1.449 215 HD12 LEU 26 HD12 LEU 26 22.423 32.333 -1.776 216 HD13 LEU 26 HD13 LEU 26 20.710 32.198 -2.233 217 HD21 LEU 26 HD21 LEU 26 20.916 30.027 0.748 218 HD22 LEU 26 HD22 LEU 26 20.476 30.104 -0.969 219 HD23 LEU 26 HD23 LEU 26 22.186 30.176 -0.488 220 H GLY 27 H GLY 27 21.367 33.096 4.650 221 HA2 GLY 27 HA2 GLY 27 23.540 34.938 4.738 222 HA3 GLY 27 HA3 GLY 27 22.454 34.516 6.072 223 H ASN 28 H ASN 28 23.503 31.541 5.525 224 HA ASN 28 HA ASN 28 26.265 31.753 6.472 225 HB2 ASN 28 HB2 ASN 28 24.984 32.158 8.550 226 HB3 ASN 28 HB3 ASN 28 24.056 30.677 8.276 227 HD21 ASN 28 HD21 ASN 28 24.826 30.006 10.406 228 HD22 ASN 28 HD22 ASN 28 26.428 29.313 10.559 229 H ARG 29 H ARG 29 26.818 30.482 4.706 230 HA ARG 29 HA ARG 29 27.087 28.631 3.438 231 HB2 ARG 29 HB2 ARG 29 26.711 27.234 6.112 232 HB3 ARG 29 HB3 ARG 29 27.475 26.540 4.671 233 HG2 ARG 29 HG2 ARG 29 29.209 28.312 4.732 234 HG3 ARG 29 HG3 ARG 29 28.458 28.996 6.189 235 HD2 ARG 29 HD2 ARG 29 28.810 26.858 7.378 236 HD3 ARG 29 HD3 ARG 29 29.561 26.166 5.932 237 HE ARG 29 HE ARG 29 30.720 28.164 7.773 238 HH11 ARG 29 HH11 ARG 29 31.016 26.424 4.703 239 HH12 ARG 29 HH12 ARG 29 32.732 26.739 4.563 240 HH21 ARG 29 HH21 ARG 29 32.952 28.540 7.569 241 HH22 ARG 29 HH22 ARG 29 33.828 27.924 6.188 242 H ALA 30 H ALA 30 24.287 29.598 3.719 243 HA ALA 30 HA ALA 30 22.166 29.014 3.260 244 HB1 ALA 30 HB1 ALA 30 23.468 26.792 1.656 245 HB2 ALA 30 HB2 ALA 30 21.819 27.427 1.451 246 HB3 ALA 30 HB3 ALA 30 23.223 28.468 1.114 247 H ALA 31 H ALA 31 23.430 27.760 5.704 248 HA ALA 31 HA ALA 31 22.453 25.114 6.023 249 HB1 ALA 31 HB1 ALA 31 22.953 27.299 8.084 250 HB2 ALA 31 HB2 ALA 31 22.816 25.558 8.419 251 HB3 ALA 31 HB3 ALA 31 24.170 26.169 7.447 252 H VAL 32 H VAL 32 20.826 28.253 6.216 253 HA VAL 32 HA VAL 32 18.517 27.246 7.663 254 HB VAL 32 HB VAL 32 18.901 29.710 5.910 255 HG11 VAL 32 HG11 VAL 32 16.693 28.921 7.848 256 HG12 VAL 32 HG12 VAL 32 16.889 30.546 7.156 257 HG13 VAL 32 HG13 VAL 32 16.523 29.166 6.099 258 HG21 VAL 32 HG21 VAL 32 20.386 29.690 7.883 259 HG22 VAL 32 HG22 VAL 32 19.101 30.898 8.069 260 HG23 VAL 32 HG23 VAL 32 18.991 29.346 8.931 261 H LYS 33 H LYS 33 19.519 27.459 4.248 262 HA LYS 33 HA LYS 33 16.926 26.855 3.162 263 HB2 LYS 33 HB2 LYS 33 18.898 27.858 1.937 264 HB3 LYS 33 HB3 LYS 33 19.674 26.265 1.985 265 HG2 LYS 33 HG2 LYS 33 17.798 25.297 0.705 266 HG3 LYS 33 HG3 LYS 33 16.947 26.855 0.770 267 HD2 LYS 33 HD2 LYS 33 18.006 26.670 -1.401 268 HD3 LYS 33 HD3 LYS 33 18.859 27.906 -0.464 269 HE2 LYS 33 HE2 LYS 33 20.505 26.545 -1.577 270 HE3 LYS 33 HE3 LYS 33 20.577 26.183 0.152 271 HZ1 LYS 33 HZ1 LYS 33 19.203 24.574 -1.903 272 HZ2 LYS 33 HZ2 LYS 33 20.621 24.186 -1.173 273 HZ3 LYS 33 HZ3 LYS 33 19.218 24.211 -0.313 274 H LYS 34 H LYS 34 19.717 24.936 4.261 275 HA LYS 34 HA LYS 34 18.707 22.377 3.435 276 HB2 LYS 34 HB2 LYS 34 20.701 23.146 5.601 277 HB3 LYS 34 HB3 LYS 34 20.453 21.508 4.987 278 HG2 LYS 34 HG2 LYS 34 21.142 22.212 2.732 279 HG3 LYS 34 HG3 LYS 34 21.338 23.885 3.288 280 HD2 LYS 34 HD2 LYS 34 23.040 23.128 4.943 281 HD3 LYS 34 HD3 LYS 34 22.898 21.475 4.315 282 HE2 LYS 34 HE2 LYS 34 23.740 23.927 2.709 283 HE3 LYS 34 HE3 LYS 34 24.846 22.708 3.359 284 HZ1 LYS 34 HZ1 LYS 34 24.328 22.296 1.062 285 HZ2 LYS 34 HZ2 LYS 34 23.761 21.071 2.001 286 HZ3 LYS 34 HZ3 LYS 34 22.722 22.188 1.385 287 H HIS 35 H HIS 35 18.006 24.459 6.189 288 HA HIS 35 HA HIS 35 17.033 22.407 7.943 289 HB2 HIS 35 HB2 HIS 35 17.737 24.739 8.569 290 HB3 HIS 35 HB3 HIS 35 16.283 25.359 7.789 291 HD1 HIS 35 HD1 HIS 35 17.439 24.569 11.104 292 HD2 HIS 35 HD2 HIS 35 13.877 23.948 8.933 293 HE1 HIS 35 HE1 HIS 35 15.588 24.154 12.834 294 HE2 HIS 35 HE2 HIS 35 13.431 23.770 11.498 295 H ILE 36 H ILE 36 15.568 24.358 5.340 296 HA ILE 36 HA ILE 36 12.879 23.366 5.882 297 HB ILE 36 HB ILE 36 14.103 24.913 3.571 298 HG12 ILE 36 HG12 ILE 36 12.246 25.881 5.772 299 HG13 ILE 36 HG13 ILE 36 14.016 25.967 5.897 300 HG21 ILE 36 HG21 ILE 36 11.177 24.329 4.206 301 HG22 ILE 36 HG22 ILE 36 11.749 25.440 2.940 302 HG23 ILE 36 HG23 ILE 36 12.082 23.709 2.809 303 HD11 ILE 36 HD11 ILE 36 14.079 27.316 3.805 304 HD12 ILE 36 HD12 ILE 36 12.292 27.341 3.808 305 HD13 ILE 36 HD13 ILE 36 13.205 28.099 5.134 306 H GLU 37 H GLU 37 15.644 22.440 3.872 307 HA GLU 37 HA GLU 37 14.182 20.686 2.122 308 HB2 GLU 37 HB2 GLU 37 17.099 20.875 2.917 309 HB3 GLU 37 HB3 GLU 37 16.480 19.734 1.697 310 HG2 GLU 37 HG2 GLU 37 15.609 21.557 0.341 311 HG3 GLU 37 HG3 GLU 37 16.057 22.745 1.567 312 H ARG 38 H ARG 38 15.768 20.214 5.316 313 HA ARG 38 HA ARG 38 15.206 17.333 5.194 314 HB2 ARG 38 HB2 ARG 38 16.262 17.213 7.344 315 HB3 ARG 38 HB3 ARG 38 17.237 18.251 6.301 316 HG2 ARG 38 HG2 ARG 38 16.268 20.259 7.389 317 HG3 ARG 38 HG3 ARG 38 15.258 19.212 8.417 318 HD2 ARG 38 HD2 ARG 38 17.355 18.122 9.266 319 HD3 ARG 38 HD3 ARG 38 18.299 19.281 8.322 320 HE ARG 38 HE ARG 38 17.820 20.953 9.869 321 HH11 ARG 38 HH11 ARG 38 15.779 18.137 10.494 322 HH12 ARG 38 HH12 ARG 38 15.224 18.741 12.039 323 HH21 ARG 38 HH21 ARG 38 17.096 21.701 11.888 324 HH22 ARG 38 HH22 ARG 38 15.973 20.744 12.830 325 H GLN 39 H GLN 39 13.476 20.177 6.047 326 HA GLN 39 HA GLN 39 11.794 18.957 8.080 327 HB2 GLN 39 HB2 GLN 39 12.206 21.341 8.119 328 HB3 GLN 39 HB3 GLN 39 11.655 21.513 6.447 329 HG2 GLN 39 HG2 GLN 39 9.932 22.296 8.010 330 HG3 GLN 39 HG3 GLN 39 9.366 20.922 7.071 331 HE21 GLN 39 HE21 GLN 39 7.750 20.442 8.648 332 HE22 GLN 39 HE22 GLN 39 8.158 19.725 10.191 333 H PHE 40 H PHE 40 11.748 19.299 4.569 334 HA PHE 40 HA PHE 40 9.178 17.828 4.544 335 HB2 PHE 40 HB2 PHE 40 9.883 20.223 2.851 336 HB3 PHE 40 HB3 PHE 40 8.503 19.162 2.553 337 HD1 PHE 40 HD1 PHE 40 9.311 22.215 3.859 338 HD2 PHE 40 HD2 PHE 40 7.131 18.672 4.948 339 HE1 PHE 40 HE1 PHE 40 7.938 23.547 5.434 340 HE2 PHE 40 HE2 PHE 40 5.778 20.000 6.543 341 HZ PHE 40 HZ PHE 40 6.184 22.441 6.796 342 H ASN 41 H ASN 41 12.236 17.341 3.943 343 HA ASN 41 HA ASN 41 13.490 16.095 2.567 344 HB2 ASN 41 HB2 ASN 41 11.711 14.447 3.332 345 HB3 ASN 41 HB3 ASN 41 10.920 14.704 1.770 346 HD21 ASN 41 HD21 ASN 41 11.251 12.391 1.398 347 HD22 ASN 41 HD22 ASN 41 12.819 11.816 0.869 348 H CYS 42 H CYS 42 12.101 18.574 1.500 349 HA CYS 42 HA CYS 42 12.023 18.051 -1.402 350 HB2 CYS 42 HB2 CYS 42 11.259 20.360 -1.527 351 HB3 CYS 42 HB3 CYS 42 10.333 19.520 -0.268 352 HG CYS 42 HG CYS 42 11.557 20.429 1.752 353 H VAL 43 H VAL 43 13.117 20.051 -2.630 354 HA VAL 43 HA VAL 43 15.815 20.616 -1.504 355 HB VAL 43 HB VAL 43 15.122 19.672 -4.314 356 HG11 VAL 43 HG11 VAL 43 17.753 20.754 -3.214 357 HG12 VAL 43 HG12 VAL 43 17.541 19.959 -4.795 358 HG13 VAL 43 HG13 VAL 43 16.741 21.504 -4.475 359 HG21 VAL 43 HG21 VAL 43 16.785 17.905 -3.800 360 HG22 VAL 43 HG22 VAL 43 16.957 18.553 -2.151 361 HG23 VAL 43 HG23 VAL 43 15.405 17.863 -2.678 362 H ILE 44 H ILE 44 16.584 22.717 -2.046 363 HA ILE 44 HA ILE 44 14.675 24.457 -3.533 364 HB ILE 44 HB ILE 44 15.911 25.024 -0.816 365 HG12 ILE 44 HG12 ILE 44 13.023 24.645 -1.699 366 HG13 ILE 44 HG13 ILE 44 13.971 23.518 -0.719 367 HG21 ILE 44 HG21 ILE 44 14.125 26.792 -2.546 368 HG22 ILE 44 HG22 ILE 44 14.739 27.184 -0.925 369 HG23 ILE 44 HG23 ILE 44 15.868 27.047 -2.275 370 HD11 ILE 44 HD11 ILE 44 13.128 26.328 0.100 371 HD12 ILE 44 HD12 ILE 44 12.527 24.785 0.738 372 HD13 ILE 44 HD13 ILE 44 14.210 25.266 1.040 373 H THR 45 H THR 45 15.590 26.117 -4.681 374 HA THR 45 HA THR 45 18.503 26.428 -4.527 375 HB THR 45 HB THR 45 17.287 26.073 -7.235 376 HG1 THR 45 HG1 THR 45 17.953 23.937 -7.131 377 HG21 THR 45 HG21 THR 45 19.630 25.530 -7.807 378 HG22 THR 45 HG22 THR 45 19.492 27.138 -7.085 379 HG23 THR 45 HG23 THR 45 20.103 25.771 -6.110 380 H VAL 46 H VAL 46 18.941 28.476 -4.157 381 HA VAL 46 HA VAL 46 17.223 30.564 -5.295 382 HB VAL 46 HB VAL 46 19.786 30.782 -3.676 383 HG11 VAL 46 HG11 VAL 46 18.983 33.117 -3.272 384 HG12 VAL 46 HG12 VAL 46 19.351 32.817 -4.979 385 HG13 VAL 46 HG13 VAL 46 17.663 32.837 -4.428 386 HG21 VAL 46 HG21 VAL 46 17.992 29.687 -2.396 387 HG22 VAL 46 HG22 VAL 46 18.261 31.338 -1.800 388 HG23 VAL 46 HG23 VAL 46 16.861 30.989 -2.835 389 H HIS 47 H HIS 47 17.770 31.950 -6.974 390 HA HIS 47 HA HIS 47 20.170 31.139 -8.548 391 HB2 HIS 47 HB2 HIS 47 17.368 31.916 -9.362 392 HB3 HIS 47 HB3 HIS 47 18.730 31.995 -10.491 393 HD1 HIS 47 HD1 HIS 47 19.973 29.581 -11.036 394 HD2 HIS 47 HD2 HIS 47 16.301 29.515 -8.963 395 HE1 HIS 47 HE1 HIS 47 19.095 27.180 -11.181 396 HE2 HIS 47 HE2 HIS 47 16.840 27.158 -9.956 397 H THR 48 H THR 48 21.203 32.747 -6.999 398 HA THR 48 HA THR 48 20.678 35.509 -7.351 399 HB THR 48 HB THR 48 22.516 35.974 -6.056 400 HG1 THR 48 HG1 THR 48 24.292 34.609 -5.922 401 HG21 THR 48 HG21 THR 48 22.566 34.325 -4.247 402 HG22 THR 48 HG22 THR 48 20.908 34.509 -4.841 403 HG23 THR 48 HG23 THR 48 21.867 33.082 -5.313 404 H GLU 49 H GLU 49 21.973 33.353 -9.563 405 HA GLU 49 HA GLU 49 23.581 35.193 -11.106 406 HB2 GLU 49 HB2 GLU 49 23.435 33.440 -12.823 407 HB3 GLU 49 HB3 GLU 49 23.820 32.758 -11.236 408 HG2 GLU 49 HG2 GLU 49 21.305 32.304 -10.960 409 HG3 GLU 49 HG3 GLU 49 21.141 32.713 -12.671 410 H VAL 50 H VAL 50 20.394 35.336 -10.298 411 HA VAL 50 HA VAL 50 19.729 36.871 -12.738 412 HB VAL 50 HB VAL 50 17.690 35.245 -11.230 413 HG11 VAL 50 HG11 VAL 50 16.356 35.588 -13.284 414 HG12 VAL 50 HG12 VAL 50 16.794 37.121 -12.519 415 HG13 VAL 50 HG13 VAL 50 17.678 36.572 -13.965 416 HG21 VAL 50 HG21 VAL 50 19.196 34.440 -13.747 417 HG22 VAL 50 HG22 VAL 50 19.215 33.619 -12.154 418 HG23 VAL 50 HG23 VAL 50 17.737 33.633 -13.121 419 H GLN 51 H GLN 51 18.615 38.758 -12.456 420 HA GLN 51 HA GLN 51 17.568 39.448 -9.791 421 HB2 GLN 51 HB2 GLN 51 19.721 41.042 -11.241 422 HB3 GLN 51 HB3 GLN 51 18.742 41.680 -9.913 423 HG2 GLN 51 HG2 GLN 51 20.617 39.288 -9.738 424 HG3 GLN 51 HG3 GLN 51 20.952 40.907 -9.131 425 HE21 GLN 51 HE21 GLN 51 20.928 38.483 -7.537 426 HE22 GLN 51 HE22 GLN 51 19.637 38.660 -6.362 427 H SER 52 H SER 52 15.604 40.215 -10.090 428 HA SER 52 HA SER 52 14.685 41.095 -12.707 429 HB2 SER 52 HB2 SER 52 13.220 39.828 -11.233 430 HB3 SER 52 HB3 SER 52 13.350 41.081 -9.978 431 HG SER 52 HG SER 52 11.471 41.332 -11.244 432 H SER 53 H SER 53 13.476 43.193 -12.939 433 HA SER 53 HA SER 53 15.243 45.376 -12.441 434 HB2 SER 53 HB2 SER 53 12.324 45.303 -13.314 435 HB3 SER 53 HB3 SER 53 13.372 46.736 -13.379 436 HG SER 53 HG SER 53 13.309 45.577 -15.370 437 H PHE 54 H PHE 54 12.751 43.922 -10.497 438 HA PHE 54 HA PHE 54 12.578 46.313 -8.859 439 HB2 PHE 54 HB2 PHE 54 10.888 44.957 -7.503 440 HB3 PHE 54 HB3 PHE 54 10.481 45.662 -9.062 441 HD1 PHE 54 HD1 PHE 54 11.793 42.426 -7.677 442 HD2 PHE 54 HD2 PHE 54 9.368 44.386 -10.635 443 HE1 PHE 54 HE1 PHE 54 10.991 40.216 -8.488 444 HE2 PHE 54 HE2 PHE 54 8.574 42.176 -11.441 445 HZ PHE 54 HZ PHE 54 9.388 40.093 -10.367 446 H GLY 55 H GLY 55 14.979 44.341 -8.968 447 HA2 GLY 55 HA2 GLY 55 16.728 44.135 -7.484 448 HA3 GLY 55 HA3 GLY 55 15.812 45.095 -6.309 449 H ALA 56 H ALA 56 14.958 41.942 -7.855 450 HA ALA 56 HA ALA 56 15.124 40.692 -5.161 451 HB1 ALA 56 HB1 ALA 56 12.789 40.463 -7.086 452 HB2 ALA 56 HB2 ALA 56 12.944 39.629 -5.529 453 HB3 ALA 56 HB3 ALA 56 12.803 41.406 -5.569 454 H THR 57 H THR 57 15.395 38.499 -5.084 455 HA THR 57 HA THR 57 16.568 37.300 -7.507 456 HB THR 57 HB THR 57 16.971 36.283 -4.716 457 HG1 THR 57 HG1 THR 57 17.589 38.435 -4.747 458 HG21 THR 57 HG21 THR 57 18.574 36.123 -7.296 459 HG22 THR 57 HG22 THR 57 19.074 35.452 -5.719 460 HG23 THR 57 HG23 THR 57 17.644 34.801 -6.542 461 HA PRO 58 HA PRO 58 13.177 34.416 -7.503 462 HB2 PRO 58 HB2 PRO 58 13.800 32.972 -9.700 463 HB3 PRO 58 HB3 PRO 58 13.309 34.690 -9.823 464 HG2 PRO 58 HG2 PRO 58 16.120 33.560 -9.826 465 HG3 PRO 58 HG3 PRO 58 15.408 34.768 -10.943 466 HD2 PRO 58 HD2 PRO 58 16.929 35.418 -8.719 467 HD3 PRO 58 HD3 PRO 58 15.643 36.482 -9.354 468 H VAL 59 H VAL 59 12.821 32.241 -6.968 469 HA VAL 59 HA VAL 59 15.150 30.523 -6.535 470 HB VAL 59 HB VAL 59 14.919 30.112 -4.328 471 HG11 VAL 59 HG11 VAL 59 15.503 32.521 -4.578 472 HG12 VAL 59 HG12 VAL 59 13.774 32.938 -4.447 473 HG13 VAL 59 HG13 VAL 59 14.611 32.187 -3.079 474 HG21 VAL 59 HG21 VAL 59 12.581 29.401 -4.316 475 HG22 VAL 59 HG22 VAL 59 12.883 30.526 -2.981 476 HG23 VAL 59 HG23 VAL 59 12.042 31.097 -4.435 477 H GLU 60 H GLU 60 14.703 28.265 -6.266 478 HA GLU 60 HA GLU 60 12.076 27.457 -7.418 479 HB2 GLU 60 HB2 GLU 60 14.885 26.599 -8.088 480 HB3 GLU 60 HB3 GLU 60 13.527 25.482 -8.323 481 HG2 GLU 60 HG2 GLU 60 12.417 26.972 -9.822 482 HG3 GLU 60 HG3 GLU 60 13.563 28.286 -9.470 483 H ILE 61 H ILE 61 11.289 25.407 -6.819 484 HA ILE 61 HA ILE 61 12.557 24.111 -4.468 485 HB ILE 61 HB ILE 61 9.601 24.709 -4.779 486 HG12 ILE 61 HG12 ILE 61 11.668 25.971 -2.933 487 HG13 ILE 61 HG13 ILE 61 10.848 26.758 -4.300 488 HG21 ILE 61 HG21 ILE 61 11.146 23.457 -2.470 489 HG22 ILE 61 HG22 ILE 61 9.397 23.790 -2.503 490 HG23 ILE 61 HG23 ILE 61 10.072 22.592 -3.601 491 HD11 ILE 61 HD11 ILE 61 8.657 26.386 -3.167 492 HD12 ILE 61 HD12 ILE 61 9.541 25.761 -1.748 493 HD13 ILE 61 HD13 ILE 61 9.768 27.445 -2.264 494 H VAL 62 H VAL 62 12.279 21.861 -4.427 495 HA VAL 62 HA VAL 62 10.792 20.619 -6.658 496 HB VAL 62 HB VAL 62 13.676 19.936 -6.034 497 HG11 VAL 62 HG11 VAL 62 11.772 19.038 -8.232 498 HG12 VAL 62 HG12 VAL 62 13.490 18.600 -8.115 499 HG13 VAL 62 HG13 VAL 62 12.353 18.045 -6.872 500 HG21 VAL 62 HG21 VAL 62 12.505 21.496 -8.370 501 HG22 VAL 62 HG22 VAL 62 13.623 22.124 -7.127 502 HG23 VAL 62 HG23 VAL 62 14.182 20.899 -8.268 503 H ALA 63 H ALA 63 9.839 18.686 -6.154 504 HA ALA 63 HA ALA 63 10.749 17.093 -3.899 505 HB1 ALA 63 HB1 ALA 63 8.020 18.434 -3.761 506 HB2 ALA 63 HB2 ALA 63 8.692 17.274 -2.595 507 HB3 ALA 63 HB3 ALA 63 9.425 18.884 -2.762 508 H GLN 64 H GLN 64 9.363 15.111 -3.655 509 HA GLN 64 HA GLN 64 8.722 14.093 -6.296 510 HB2 GLN 64 HB2 GLN 64 9.892 12.804 -4.546 511 HB3 GLN 64 HB3 GLN 64 8.439 12.837 -3.535 512 HG2 GLN 64 HG2 GLN 64 7.203 11.516 -5.180 513 HG3 GLN 64 HG3 GLN 64 8.524 11.667 -6.346 514 HE21 GLN 64 HE21 GLN 64 8.336 9.253 -6.369 515 HE22 GLN 64 HE22 GLN 64 9.211 8.347 -5.154 516 H ASN 65 H ASN 65 6.888 15.756 -3.886 517 HA ASN 65 HA ASN 65 4.386 15.091 -5.307 518 HB2 ASN 65 HB2 ASN 65 4.695 14.805 -2.287 519 HB3 ASN 65 HB3 ASN 65 3.208 14.576 -3.213 520 HD21 ASN 65 HD21 ASN 65 5.829 13.021 -1.793 521 HD22 ASN 65 HD22 ASN 65 5.713 11.487 -2.626 522 H LYS 66 H LYS 66 2.692 16.670 -4.941 523 HA LYS 66 HA LYS 66 3.613 19.342 -4.441 524 HB2 LYS 66 HB2 LYS 66 0.792 18.185 -4.533 525 HB3 LYS 66 HB3 LYS 66 1.197 19.908 -4.557 526 HG2 LYS 66 HG2 LYS 66 2.472 19.577 -6.663 527 HG3 LYS 66 HG3 LYS 66 2.012 17.849 -6.651 528 HD2 LYS 66 HD2 LYS 66 -0.386 18.504 -6.696 529 HD3 LYS 66 HD3 LYS 66 0.089 20.210 -6.694 530 HE2 LYS 66 HE2 LYS 66 -0.449 19.558 -8.961 531 HE3 LYS 66 HE3 LYS 66 1.297 19.853 -8.841 532 HZ1 LYS 66 HZ1 LYS 66 0.032 17.200 -8.747 533 HZ2 LYS 66 HZ2 LYS 66 0.756 17.854 -10.067 534 HZ3 LYS 66 HZ3 LYS 66 1.652 17.508 -8.740 535 H GLU 67 H GLU 67 2.252 16.814 -2.406 536 HA GLU 67 HA GLU 67 1.510 18.481 -0.202 537 HB2 GLU 67 HB2 GLU 67 2.152 15.509 -0.385 538 HB3 GLU 67 HB3 GLU 67 1.541 16.326 1.058 539 HG2 GLU 67 HG2 GLU 67 -0.384 15.461 0.105 540 HG3 GLU 67 HG3 GLU 67 -0.419 17.154 -0.378 541 H GLN 68 H GLN 68 4.572 17.907 -1.459 542 HA GLN 68 HA GLN 68 5.789 18.565 1.190 543 HB2 GLN 68 HB2 GLN 68 6.992 16.996 -1.117 544 HB3 GLN 68 HB3 GLN 68 7.827 17.428 0.386 545 HG2 GLN 68 HG2 GLN 68 6.295 16.039 1.688 546 HG3 GLN 68 HG3 GLN 68 5.303 15.714 0.250 547 HE21 GLN 68 HE21 GLN 68 8.862 15.652 0.912 548 HE22 GLN 68 HE22 GLN 68 9.099 14.031 0.282 549 H CYS 69 H CYS 69 5.415 19.348 -2.231 550 HA CYS 69 HA CYS 69 7.696 21.168 -2.280 551 HB2 CYS 69 HB2 CYS 69 6.644 19.853 -4.252 552 HB3 CYS 69 HB3 CYS 69 5.341 21.054 -4.200 553 HG CYS 69 HG CYS 69 8.598 21.464 -4.597 554 H GLN 70 H GLN 70 4.130 21.375 -1.900 555 HA GLN 70 HA GLN 70 4.054 24.264 -1.957 556 HB2 GLN 70 HB2 GLN 70 2.092 22.196 -0.890 557 HB3 GLN 70 HB3 GLN 70 1.739 23.917 -1.083 558 HG2 GLN 70 HG2 GLN 70 2.554 22.061 -3.370 559 HG3 GLN 70 HG3 GLN 70 0.885 22.461 -2.954 560 HE21 GLN 70 HE21 GLN 70 1.647 22.980 -5.486 561 HE22 GLN 70 HE22 GLN 70 1.857 24.699 -5.735 562 H GLU 71 H GLU 71 4.587 21.843 0.578 563 HA GLU 71 HA GLU 71 3.945 23.632 2.757 564 HB2 GLU 71 HB2 GLU 71 5.682 21.127 2.692 565 HB3 GLU 71 HB3 GLU 71 5.026 21.907 4.144 566 HG2 GLU 71 HG2 GLU 71 3.371 20.690 1.896 567 HG3 GLU 71 HG3 GLU 71 3.718 19.922 3.450 568 H ALA 72 H ALA 72 6.870 22.907 0.871 569 HA ALA 72 HA ALA 72 8.611 24.484 2.603 570 HB1 ALA 72 HB1 ALA 72 8.967 23.404 -0.223 571 HB2 ALA 72 HB2 ALA 72 10.253 24.082 0.804 572 HB3 ALA 72 HB3 ALA 72 9.433 22.570 1.276 573 H ARG 73 H ARG 73 6.566 25.021 -0.239 574 HA ARG 73 HA ARG 73 7.733 27.537 -1.013 575 HB2 ARG 73 HB2 ARG 73 6.445 26.266 -2.607 576 HB3 ARG 73 HB3 ARG 73 5.061 26.178 -1.511 577 HG2 ARG 73 HG2 ARG 73 4.659 27.788 -3.303 578 HG3 ARG 73 HG3 ARG 73 4.665 28.577 -1.720 579 HD2 ARG 73 HD2 ARG 73 6.867 29.495 -2.105 580 HD3 ARG 73 HD3 ARG 73 7.114 28.469 -3.525 581 HE ARG 73 HE ARG 73 6.048 30.040 -4.806 582 HH11 ARG 73 HH11 ARG 73 4.991 30.493 -1.461 583 HH12 ARG 73 HH12 ARG 73 3.993 31.876 -1.851 584 HH21 ARG 73 HH21 ARG 73 4.760 31.857 -5.272 585 HH22 ARG 73 HH22 ARG 73 3.861 32.638 -4.000 586 H ASN 74 H ASN 74 5.025 26.601 1.119 587 HA ASN 74 HA ASN 74 4.322 29.387 1.618 588 HB2 ASN 74 HB2 ASN 74 3.341 26.710 2.643 589 HB3 ASN 74 HB3 ASN 74 2.768 28.247 3.320 590 HD21 ASN 74 HD21 ASN 74 2.382 25.966 0.778 591 HD22 ASN 74 HD22 ASN 74 1.265 26.899 -0.195 592 H ALA 75 H ALA 75 6.772 27.319 2.878 593 HA ALA 75 HA ALA 75 6.726 28.518 5.544 594 HB1 ALA 75 HB1 ALA 75 8.749 26.740 4.115 595 HB2 ALA 75 HB2 ALA 75 8.778 27.165 5.843 596 HB3 ALA 75 HB3 ALA 75 7.448 26.183 5.194 597 H VAL 76 H VAL 76 8.356 29.088 2.420 598 HA VAL 76 HA VAL 76 10.451 30.706 3.647 599 HB VAL 76 HB VAL 76 9.642 30.149 0.761 600 HG11 VAL 76 HG11 VAL 76 12.091 31.605 1.839 601 HG12 VAL 76 HG12 VAL 76 11.918 31.000 0.170 602 HG13 VAL 76 HG13 VAL 76 10.838 32.271 0.759 603 HG21 VAL 76 HG21 VAL 76 10.525 28.217 2.082 604 HG22 VAL 76 HG22 VAL 76 11.614 28.699 0.764 605 HG23 VAL 76 HG23 VAL 76 11.989 29.169 2.437 606 H MET 77 H MET 77 7.178 31.240 2.821 607 HA MET 77 HA MET 77 7.583 34.009 1.983 608 HB2 MET 77 HB2 MET 77 5.069 32.401 2.595 609 HB3 MET 77 HB3 MET 77 5.081 34.020 1.875 610 HG2 MET 77 HG2 MET 77 6.478 31.615 0.631 611 HG3 MET 77 HG3 MET 77 4.824 32.080 0.272 612 HE1 MET 77 HE1 MET 77 8.644 33.792 -1.484 613 HE2 MET 77 HE2 MET 77 8.579 33.435 0.256 614 HE3 MET 77 HE3 MET 77 8.272 32.144 -0.930 615 H SER 78 H SER 78 7.583 32.560 5.044 616 HA SER 78 HA SER 78 7.258 35.211 6.248 617 HB2 SER 78 HB2 SER 78 4.920 34.539 6.080 618 HB3 SER 78 HB3 SER 78 5.285 32.975 6.843 619 HG SER 78 HG SER 78 4.455 34.525 8.321 620 H LEU 79 H LEU 79 7.715 31.677 6.754 621 HA LEU 79 HA LEU 79 8.803 32.141 9.438 622 HB2 LEU 79 HB2 LEU 79 8.697 29.615 7.750 623 HB3 LEU 79 HB3 LEU 79 9.042 29.709 9.479 624 HG LEU 79 HG LEU 79 6.408 30.474 8.132 625 HD11 LEU 79 HD11 LEU 79 7.177 28.143 9.937 626 HD12 LEU 79 HD12 LEU 79 5.546 28.482 9.311 627 HD13 LEU 79 HD13 LEU 79 6.853 28.044 8.186 628 HD21 LEU 79 HD21 LEU 79 5.550 30.630 10.451 629 HD22 LEU 79 HD22 LEU 79 7.198 30.382 11.078 630 HD23 LEU 79 HD23 LEU 79 6.804 31.845 10.144 631 H MET 80 H MET 80 9.969 30.966 6.294 632 HA MET 80 HA MET 80 11.983 30.661 5.375 633 HB2 MET 80 HB2 MET 80 12.877 33.038 7.038 634 HB3 MET 80 HB3 MET 80 13.534 32.479 5.489 635 HG2 MET 80 HG2 MET 80 11.258 32.872 4.469 636 HG3 MET 80 HG3 MET 80 10.756 33.590 6.003 637 HE1 MET 80 HE1 MET 80 12.460 34.034 2.622 638 HE2 MET 80 HE2 MET 80 13.607 35.372 2.856 639 HE3 MET 80 HE3 MET 80 13.915 33.788 3.614 640 H GLN 81 H GLN 81 11.567 29.886 8.534 641 HA GLN 81 HA GLN 81 12.702 28.827 10.144 642 HB2 GLN 81 HB2 GLN 81 14.186 27.635 7.781 643 HB3 GLN 81 HB3 GLN 81 14.144 26.957 9.416 644 HG2 GLN 81 HG2 GLN 81 11.743 27.369 7.587 645 HG3 GLN 81 HG3 GLN 81 12.536 25.833 7.935 646 HE21 GLN 81 HE21 GLN 81 9.746 26.423 8.351 647 HE22 GLN 81 HE22 GLN 81 9.443 26.278 10.072 648 H SER 82 H SER 82 13.863 31.457 9.168 649 HA SER 82 HA SER 82 16.726 31.181 9.680 650 HB2 SER 82 HB2 SER 82 15.829 32.667 7.924 651 HB3 SER 82 HB3 SER 82 15.010 33.634 9.167 652 HG SER 82 HG SER 82 17.065 34.067 10.062 653 H HIS 83 H HIS 83 14.284 30.990 11.784 654 HA HIS 83 HA HIS 83 14.732 33.054 13.677 655 HB2 HIS 83 HB2 HIS 83 13.659 31.376 15.265 656 HB3 HIS 83 HB3 HIS 83 12.739 31.862 13.837 657 HD1 HIS 83 HD1 HIS 83 15.161 28.858 14.590 658 HD2 HIS 83 HD2 HIS 83 11.556 29.931 12.672 659 HE1 HIS 83 HE1 HIS 83 14.220 26.720 13.576 660 HE2 HIS 83 HE2 HIS 83 12.038 27.369 12.392 661 H GLN 84 H GLN 84 15.852 33.117 15.623 662 HA GLN 84 HA GLN 84 18.451 31.800 15.499 663 HB2 GLN 84 HB2 GLN 84 19.068 33.326 17.278 664 HB3 GLN 84 HB3 GLN 84 18.267 34.200 15.961 665 HG2 GLN 84 HG2 GLN 84 16.167 34.266 17.247 666 HG3 GLN 84 HG3 GLN 84 16.911 33.314 18.542 667 HE21 GLN 84 HE21 GLN 84 15.958 35.460 19.603 668 HE22 GLN 84 HE22 GLN 84 17.147 36.732 19.805 669 H ASP 85 H ASP 85 15.789 30.370 16.365 670 HA ASP 85 HA ASP 85 15.192 28.771 17.765 671 HB2 ASP 85 HB2 ASP 85 18.175 28.383 17.967 672 HB3 ASP 85 HB3 ASP 85 17.002 27.297 18.722 673 H LYS 86 H LYS 86 15.236 31.388 18.916 674 HA LYS 86 HA LYS 86 15.988 31.286 21.660 675 HB2 LYS 86 HB2 LYS 86 14.473 33.192 21.918 676 HB3 LYS 86 HB3 LYS 86 15.481 33.370 20.474 677 HG2 LYS 86 HG2 LYS 86 13.587 32.594 19.055 678 HG3 LYS 86 HG3 LYS 86 12.587 32.394 20.508 679 HD2 LYS 86 HD2 LYS 86 12.826 34.814 21.005 680 HD3 LYS 86 HD3 LYS 86 13.806 35.018 19.534 681 HE2 LYS 86 HE2 LYS 86 11.913 34.198 18.163 682 HE3 LYS 86 HE3 LYS 86 10.933 34.011 19.623 683 HZ1 LYS 86 HZ1 LYS 86 12.038 36.545 18.623 684 HZ2 LYS 86 HZ2 LYS 86 10.467 36.069 18.530 685 HZ3 LYS 86 HZ3 LYS 86 11.153 36.375 19.997 Start of MODEL 3 1 H1 SER 1 H SER 1 -3.296 -0.231 -12.171 2 HA SER 1 HA SER 1 -1.057 0.565 -11.967 3 HB2 SER 1 HB2 SER 1 -1.867 -0.067 -14.189 4 HB3 SER 1 HB3 SER 1 -2.502 1.571 -14.445 5 HG SER 1 HG SER 1 -0.427 1.266 -15.364 6 H GLY 2 H GLY 2 0.441 2.375 -12.215 7 HA2 GLY 2 HA2 GLY 2 -0.335 5.093 -12.334 8 HA3 GLY 2 HA3 GLY 2 -0.276 4.612 -10.631 9 H SER 3 H SER 3 1.462 6.485 -11.062 10 HA SER 3 HA SER 3 3.977 5.735 -12.225 11 HB2 SER 3 HB2 SER 3 3.263 7.846 -10.152 12 HB3 SER 3 HB3 SER 3 4.825 7.723 -10.991 13 HG SER 3 HG SER 3 3.778 8.099 -12.931 14 H HIS 4 H HIS 4 5.991 5.312 -11.164 15 HA HIS 4 HA HIS 4 5.756 3.411 -9.000 16 HB2 HIS 4 HB2 HIS 4 8.204 4.643 -10.314 17 HB3 HIS 4 HB3 HIS 4 8.192 3.228 -9.262 18 HD1 HIS 4 HD1 HIS 4 9.303 2.885 -12.171 19 HD2 HIS 4 HD2 HIS 4 5.294 2.304 -11.002 20 HE1 HIS 4 HE1 HIS 4 8.247 1.337 -13.924 21 HE2 HIS 4 HE2 HIS 4 5.809 0.992 -13.204 22 H MET 5 H MET 5 7.199 3.538 -7.090 23 HA MET 5 HA MET 5 6.648 6.009 -5.647 24 HB2 MET 5 HB2 MET 5 8.024 3.435 -4.796 25 HB3 MET 5 HB3 MET 5 7.557 4.763 -3.713 26 HG2 MET 5 HG2 MET 5 5.202 4.498 -4.401 27 HG3 MET 5 HG3 MET 5 5.649 3.143 -5.446 28 HE1 MET 5 HE1 MET 5 6.428 0.805 -4.625 29 HE2 MET 5 HE2 MET 5 7.772 1.533 -3.721 30 HE3 MET 5 HE3 MET 5 6.692 0.365 -2.924 31 H LYS 6 H LYS 6 9.048 5.408 -7.804 32 HA LYS 6 HA LYS 6 10.911 7.214 -6.410 33 HB2 LYS 6 HB2 LYS 6 12.829 5.731 -6.803 34 HB3 LYS 6 HB3 LYS 6 11.634 4.975 -5.738 35 HG2 LYS 6 HG2 LYS 6 10.733 3.680 -7.649 36 HG3 LYS 6 HG3 LYS 6 11.913 4.432 -8.732 37 HD2 LYS 6 HD2 LYS 6 12.544 2.679 -6.318 38 HD3 LYS 6 HD3 LYS 6 12.653 2.183 -8.014 39 HE2 LYS 6 HE2 LYS 6 14.305 4.358 -6.668 40 HE3 LYS 6 HE3 LYS 6 14.871 2.741 -7.103 41 HZ1 LYS 6 HZ1 LYS 6 15.505 4.352 -8.740 42 HZ2 LYS 6 HZ2 LYS 6 14.447 3.285 -9.411 43 HZ3 LYS 6 HZ3 LYS 6 13.945 4.796 -8.998 44 H THR 7 H THR 7 9.085 7.268 -8.851 45 HA THR 7 HA THR 7 10.669 7.208 -11.149 46 HB THR 7 HB THR 7 8.393 9.125 -11.007 47 HG1 THR 7 HG1 THR 7 6.992 7.387 -11.103 48 HG21 THR 7 HG21 THR 7 9.539 8.739 -13.165 49 HG22 THR 7 HG22 THR 7 9.289 6.987 -12.994 50 HG23 THR 7 HG23 THR 7 7.898 8.075 -13.202 51 H CYS 8 H CYS 8 11.518 8.797 -12.540 52 HA CYS 8 HA CYS 8 13.170 10.708 -11.149 53 HB2 CYS 8 HB2 CYS 8 13.803 9.447 -13.219 54 HB3 CYS 8 HB3 CYS 8 12.598 10.399 -14.125 55 HG CYS 8 HG CYS 8 13.618 12.699 -13.717 56 H VAL 9 H VAL 9 9.935 10.832 -12.388 57 HA VAL 9 HA VAL 9 9.825 13.630 -13.036 58 HB VAL 9 HB VAL 9 7.633 11.703 -12.184 59 HG11 VAL 9 HG11 VAL 9 7.494 14.405 -13.584 60 HG12 VAL 9 HG12 VAL 9 6.132 13.293 -13.344 61 HG13 VAL 9 HG13 VAL 9 6.917 14.038 -11.939 62 HG21 VAL 9 HG21 VAL 9 7.198 11.539 -14.618 63 HG22 VAL 9 HG22 VAL 9 8.610 12.565 -14.945 64 HG23 VAL 9 HG23 VAL 9 8.828 10.955 -14.221 65 H VAL 10 H VAL 10 9.355 15.402 -11.787 66 HA VAL 10 HA VAL 10 8.732 15.049 -8.916 67 HB VAL 10 HB VAL 10 10.589 16.624 -8.325 68 HG11 VAL 10 HG11 VAL 10 10.795 14.172 -7.983 69 HG12 VAL 10 HG12 VAL 10 11.551 14.025 -9.585 70 HG13 VAL 10 HG13 VAL 10 12.358 14.957 -8.302 71 HG21 VAL 10 HG21 VAL 10 11.027 17.576 -10.571 72 HG22 VAL 10 HG22 VAL 10 12.496 16.863 -9.873 73 HG23 VAL 10 HG23 VAL 10 11.611 15.984 -11.127 74 H GLU 11 H GLU 11 8.036 17.019 -7.942 75 HA GLU 11 HA GLU 11 6.624 18.793 -9.792 76 HB2 GLU 11 HB2 GLU 11 6.753 18.567 -6.760 77 HB3 GLU 11 HB3 GLU 11 5.733 19.733 -7.612 78 HG2 GLU 11 HG2 GLU 11 5.601 16.704 -7.929 79 HG3 GLU 11 HG3 GLU 11 4.510 17.676 -6.941 80 H LYS 12 H LYS 12 6.689 21.131 -9.534 81 HA LYS 12 HA LYS 12 9.188 22.248 -8.442 82 HB2 LYS 12 HB2 LYS 12 8.483 22.127 -11.365 83 HB3 LYS 12 HB3 LYS 12 9.262 23.589 -10.735 84 HG2 LYS 12 HG2 LYS 12 11.085 22.254 -9.772 85 HG3 LYS 12 HG3 LYS 12 10.367 20.771 -10.457 86 HD2 LYS 12 HD2 LYS 12 10.639 21.628 -12.720 87 HD3 LYS 12 HD3 LYS 12 11.208 23.196 -12.090 88 HE2 LYS 12 HE2 LYS 12 13.138 22.086 -11.041 89 HE3 LYS 12 HE3 LYS 12 12.591 20.516 -11.653 90 HZ1 LYS 12 HZ1 LYS 12 12.835 21.364 -13.882 91 HZ2 LYS 12 HZ2 LYS 12 13.359 22.818 -13.317 92 HZ3 LYS 12 HZ3 LYS 12 14.263 21.469 -13.071 93 H ILE 13 H ILE 13 9.179 24.384 -7.996 94 HA ILE 13 HA ILE 13 6.828 26.049 -8.612 95 HB ILE 13 HB ILE 13 7.845 25.509 -5.795 96 HG12 ILE 13 HG12 ILE 13 5.127 25.069 -7.097 97 HG13 ILE 13 HG13 ILE 13 6.282 23.812 -6.613 98 HG21 ILE 13 HG21 ILE 13 6.178 27.190 -5.075 99 HG22 ILE 13 HG22 ILE 13 7.422 27.909 -6.094 100 HG23 ILE 13 HG23 ILE 13 5.812 27.550 -6.779 101 HD11 ILE 13 HD11 ILE 13 4.747 25.692 -4.781 102 HD12 ILE 13 HD12 ILE 13 4.617 23.927 -4.904 103 HD13 ILE 13 HD13 ILE 13 6.091 24.660 -4.236 104 H LYS 14 H LYS 14 7.354 28.312 -8.523 105 HA LYS 14 HA LYS 14 10.176 28.998 -7.994 106 HB2 LYS 14 HB2 LYS 14 9.981 28.400 -10.406 107 HB3 LYS 14 HB3 LYS 14 8.729 29.635 -10.595 108 HG2 LYS 14 HG2 LYS 14 10.380 31.386 -9.887 109 HG3 LYS 14 HG3 LYS 14 11.617 30.118 -9.748 110 HD2 LYS 14 HD2 LYS 14 11.185 29.543 -12.174 111 HD3 LYS 14 HD3 LYS 14 10.091 30.941 -12.257 112 HE2 LYS 14 HE2 LYS 14 12.278 31.553 -13.150 113 HE3 LYS 14 HE3 LYS 14 11.995 32.433 -11.650 114 HZ1 LYS 14 HZ1 LYS 14 14.208 31.471 -11.771 115 HZ2 LYS 14 HZ2 LYS 14 13.365 30.825 -10.513 116 HZ3 LYS 14 HZ3 LYS 14 13.584 29.957 -11.886 117 H GLN 15 H GLN 15 10.414 31.047 -7.131 118 HA GLN 15 HA GLN 15 8.284 33.015 -7.393 119 HB2 GLN 15 HB2 GLN 15 7.306 31.588 -5.688 120 HB3 GLN 15 HB3 GLN 15 8.800 31.627 -4.735 121 HG2 GLN 15 HG2 GLN 15 7.063 33.164 -3.835 122 HG3 GLN 15 HG3 GLN 15 8.533 34.008 -4.304 123 HE21 GLN 15 HE21 GLN 15 7.749 36.017 -4.853 124 HE22 GLN 15 HE22 GLN 15 6.570 36.299 -6.124 125 H TRP 16 H TRP 16 8.860 35.081 -6.692 126 HA TRP 16 HA TRP 16 11.758 35.522 -6.414 127 HB2 TRP 16 HB2 TRP 16 9.428 37.429 -6.827 128 HB3 TRP 16 HB3 TRP 16 11.138 37.849 -6.908 129 HD1 TRP 16 HD1 TRP 16 8.493 35.815 -8.806 130 HE1 TRP 16 HE1 TRP 16 9.221 35.494 -11.231 131 HE3 TRP 16 HE3 TRP 16 13.126 37.962 -8.538 132 HZ2 TRP 16 HZ2 TRP 16 11.519 36.144 -12.873 133 HZ3 TRP 16 HZ3 TRP 16 14.550 38.116 -10.546 134 HH2 TRP 16 HH2 TRP 16 13.771 37.205 -12.719 135 H ILE 17 H ILE 17 12.697 36.680 -4.757 136 HA ILE 17 HA ILE 17 10.998 37.619 -2.524 137 HB ILE 17 HB ILE 17 12.279 36.565 -0.865 138 HG12 ILE 17 HG12 ILE 17 14.294 35.775 -2.994 139 HG13 ILE 17 HG13 ILE 17 14.508 36.998 -1.729 140 HG21 ILE 17 HG21 ILE 17 12.042 34.192 -1.258 141 HG22 ILE 17 HG22 ILE 17 10.700 35.035 -2.038 142 HG23 ILE 17 HG23 ILE 17 12.059 34.433 -3.023 143 HD11 ILE 17 HD11 ILE 17 14.157 34.009 -1.291 144 HD12 ILE 17 HD12 ILE 17 15.638 34.954 -1.068 145 HD13 ILE 17 HD13 ILE 17 14.251 35.235 0.004 146 HA PRO 18 HA PRO 18 13.539 41.165 -3.105 147 HB2 PRO 18 HB2 PRO 18 13.674 42.236 -0.573 148 HB3 PRO 18 HB3 PRO 18 12.203 42.289 -1.598 149 HG2 PRO 18 HG2 PRO 18 12.877 40.284 0.574 150 HG3 PRO 18 HG3 PRO 18 11.346 41.193 0.342 151 HD2 PRO 18 HD2 PRO 18 11.597 38.658 -0.537 152 HD3 PRO 18 HD3 PRO 18 10.757 39.883 -1.545 153 H THR 19 H THR 19 15.729 41.694 -3.089 154 HA THR 19 HA THR 19 17.461 39.624 -2.350 155 HB THR 19 HB THR 19 18.533 42.360 -2.886 156 HG1 THR 19 HG1 THR 19 18.103 42.019 -5.053 157 HG21 THR 19 HG21 THR 19 19.263 39.537 -3.779 158 HG22 THR 19 HG22 THR 19 20.109 41.019 -4.273 159 HG23 THR 19 HG23 THR 19 20.125 40.515 -2.567 160 H THR 20 H THR 20 16.227 42.054 -0.335 161 HA THR 20 HA THR 20 18.435 42.006 1.531 162 HB THR 20 HB THR 20 17.339 43.551 2.791 163 HG1 THR 20 HG1 THR 20 15.099 43.758 2.810 164 HG21 THR 20 HG21 THR 20 16.011 43.939 0.063 165 HG22 THR 20 HG22 THR 20 16.327 45.184 1.292 166 HG23 THR 20 HG23 THR 20 17.685 44.404 0.454 167 H GLU 21 H GLU 21 15.970 39.775 0.899 168 HA GLU 21 HA GLU 21 16.263 38.648 3.643 169 HB2 GLU 21 HB2 GLU 21 14.065 38.166 1.597 170 HB3 GLU 21 HB3 GLU 21 14.154 37.465 3.220 171 HG2 GLU 21 HG2 GLU 21 13.911 40.434 2.596 172 HG3 GLU 21 HG3 GLU 21 12.595 39.363 3.092 173 H VAL 22 H VAL 22 17.428 38.291 0.505 174 HA VAL 22 HA VAL 22 17.425 35.439 0.207 175 HB VAL 22 HB VAL 22 19.303 37.651 -0.718 176 HG11 VAL 22 HG11 VAL 22 19.279 34.709 -1.508 177 HG12 VAL 22 HG12 VAL 22 20.171 35.985 -2.364 178 HG13 VAL 22 HG13 VAL 22 20.604 35.578 -0.697 179 HG21 VAL 22 HG21 VAL 22 18.203 37.326 -2.872 180 HG22 VAL 22 HG22 VAL 22 17.235 35.985 -2.216 181 HG23 VAL 22 HG23 VAL 22 16.968 37.637 -1.625 182 H GLY 23 H GLY 23 19.237 37.681 2.240 183 HA2 GLY 23 HA2 GLY 23 21.429 35.925 2.855 184 HA3 GLY 23 HA3 GLY 23 20.943 37.378 3.744 185 H LYS 24 H LYS 24 18.084 35.939 3.858 186 HA LYS 24 HA LYS 24 18.573 34.689 6.452 187 HB2 LYS 24 HB2 LYS 24 16.032 34.782 4.772 188 HB3 LYS 24 HB3 LYS 24 16.152 34.373 6.485 189 HG2 LYS 24 HG2 LYS 24 16.698 37.086 5.220 190 HG3 LYS 24 HG3 LYS 24 15.333 36.633 6.253 191 HD2 LYS 24 HD2 LYS 24 17.020 36.112 8.087 192 HD3 LYS 24 HD3 LYS 24 18.263 36.842 7.052 193 HE2 LYS 24 HE2 LYS 24 15.759 38.196 8.140 194 HE3 LYS 24 HE3 LYS 24 17.429 38.482 8.658 195 HZ1 LYS 24 HZ1 LYS 24 17.875 39.262 6.388 196 HZ2 LYS 24 HZ2 LYS 24 16.274 39.098 6.024 197 HZ3 LYS 24 HZ3 LYS 24 16.750 40.177 7.161 198 H ILE 25 H ILE 25 18.019 33.659 3.113 199 HA ILE 25 HA ILE 25 17.546 30.867 3.888 200 HB ILE 25 HB ILE 25 17.947 32.191 1.178 201 HG12 ILE 25 HG12 ILE 25 15.367 31.446 2.612 202 HG13 ILE 25 HG13 ILE 25 15.989 33.090 2.369 203 HG21 ILE 25 HG21 ILE 25 16.829 29.449 1.907 204 HG22 ILE 25 HG22 ILE 25 16.919 30.134 0.268 205 HG23 ILE 25 HG23 ILE 25 18.406 29.768 1.143 206 HD11 ILE 25 HD11 ILE 25 15.949 32.680 -0.111 207 HD12 ILE 25 HD12 ILE 25 15.107 31.143 0.202 208 HD13 ILE 25 HD13 ILE 25 14.345 32.673 0.661 209 H LEU 26 H LEU 26 20.119 32.822 2.332 210 HA LEU 26 HA LEU 26 21.811 30.428 2.098 211 HB2 LEU 26 HB2 LEU 26 22.245 33.274 1.136 212 HB3 LEU 26 HB3 LEU 26 23.238 31.867 0.722 213 HG LEU 26 HG LEU 26 20.294 32.232 -0.011 214 HD11 LEU 26 HD11 LEU 26 22.847 32.264 -1.670 215 HD12 LEU 26 HD12 LEU 26 21.194 32.385 -2.308 216 HD13 LEU 26 HD13 LEU 26 21.844 33.678 -1.271 217 HD21 LEU 26 HD21 LEU 26 20.677 30.181 -1.381 218 HD22 LEU 26 HD22 LEU 26 22.297 30.024 -0.669 219 HD23 LEU 26 HD23 LEU 26 20.853 29.848 0.347 220 H GLY 27 H GLY 27 21.206 32.538 4.565 221 HA2 GLY 27 HA2 GLY 27 23.846 33.299 5.372 222 HA3 GLY 27 HA3 GLY 27 22.405 33.239 6.404 223 H ASN 28 H ASN 28 25.043 32.482 7.214 224 HA ASN 28 HA ASN 28 26.239 30.824 8.175 225 HB2 ASN 28 HB2 ASN 28 24.221 30.987 9.632 226 HB3 ASN 28 HB3 ASN 28 23.482 29.653 8.731 227 HD21 ASN 28 HD21 ASN 28 23.400 28.606 10.875 228 HD22 ASN 28 HD22 ASN 28 24.828 27.767 11.456 229 H ARG 29 H ARG 29 26.545 30.470 5.598 230 HA ARG 29 HA ARG 29 26.966 29.025 3.919 231 HB2 ARG 29 HB2 ARG 29 27.152 26.995 6.170 232 HB3 ARG 29 HB3 ARG 29 27.778 26.788 4.526 233 HG2 ARG 29 HG2 ARG 29 29.255 28.747 4.823 234 HG3 ARG 29 HG3 ARG 29 28.651 28.961 6.479 235 HD2 ARG 29 HD2 ARG 29 29.454 26.695 7.072 236 HD3 ARG 29 HD3 ARG 29 30.065 26.477 5.424 237 HE ARG 29 HE ARG 29 31.167 28.255 7.529 238 HH11 ARG 29 HH11 ARG 29 31.379 27.018 4.225 239 HH12 ARG 29 HH12 ARG 29 33.021 27.572 3.999 240 HH21 ARG 29 HH21 ARG 29 33.307 28.951 7.217 241 HH22 ARG 29 HH22 ARG 29 34.107 28.662 5.688 242 H ALA 30 H ALA 30 24.267 29.601 4.305 243 HA ALA 30 HA ALA 30 22.197 28.999 3.735 244 HB1 ALA 30 HB1 ALA 30 23.571 26.899 2.028 245 HB2 ALA 30 HB2 ALA 30 21.918 27.514 1.825 246 HB3 ALA 30 HB3 ALA 30 23.299 28.604 1.585 247 H ALA 31 H ALA 31 23.438 27.614 6.131 248 HA ALA 31 HA ALA 31 22.415 24.974 6.297 249 HB1 ALA 31 HB1 ALA 31 22.855 27.071 8.470 250 HB2 ALA 31 HB2 ALA 31 22.626 25.328 8.743 251 HB3 ALA 31 HB3 ALA 31 24.061 25.902 7.873 252 H VAL 32 H VAL 32 20.813 28.097 6.452 253 HA VAL 32 HA VAL 32 18.433 27.153 7.809 254 HB VAL 32 HB VAL 32 18.946 29.559 6.025 255 HG11 VAL 32 HG11 VAL 32 16.650 28.918 7.921 256 HG12 VAL 32 HG12 VAL 32 16.901 30.478 7.100 257 HG13 VAL 32 HG13 VAL 32 16.539 29.026 6.148 258 HG21 VAL 32 HG21 VAL 32 20.344 29.530 8.065 259 HG22 VAL 32 HG22 VAL 32 19.097 30.787 8.156 260 HG23 VAL 32 HG23 VAL 32 18.896 29.266 9.059 261 H LYS 33 H LYS 33 19.484 27.471 4.379 262 HA LYS 33 HA LYS 33 16.935 26.731 3.274 263 HB2 LYS 33 HB2 LYS 33 18.842 27.875 2.065 264 HB3 LYS 33 HB3 LYS 33 19.720 26.336 2.091 265 HG2 LYS 33 HG2 LYS 33 17.888 25.257 0.816 266 HG3 LYS 33 HG3 LYS 33 16.972 26.779 0.856 267 HD2 LYS 33 HD2 LYS 33 18.037 26.662 -1.297 268 HD3 LYS 33 HD3 LYS 33 18.883 27.895 -0.347 269 HE2 LYS 33 HE2 LYS 33 20.544 26.581 -1.475 270 HE3 LYS 33 HE3 LYS 33 20.609 26.144 0.240 271 HZ1 LYS 33 HZ1 LYS 33 19.248 24.203 -0.311 272 HZ2 LYS 33 HZ2 LYS 33 19.242 24.620 -1.886 273 HZ3 LYS 33 HZ3 LYS 33 20.656 24.203 -1.161 274 H LYS 34 H LYS 34 19.857 24.983 4.271 275 HA LYS 34 HA LYS 34 19.001 22.381 3.395 276 HB2 LYS 34 HB2 LYS 34 21.062 23.279 5.446 277 HB3 LYS 34 HB3 LYS 34 20.910 21.622 4.826 278 HG2 LYS 34 HG2 LYS 34 21.493 22.301 2.593 279 HG3 LYS 34 HG3 LYS 34 21.324 24.019 2.986 280 HD2 LYS 34 HD2 LYS 34 23.219 23.856 4.571 281 HD3 LYS 34 HD3 LYS 34 23.439 22.146 4.123 282 HE2 LYS 34 HE2 LYS 34 23.883 22.783 1.804 283 HE3 LYS 34 HE3 LYS 34 23.486 24.472 2.150 284 HZ1 LYS 34 HZ1 LYS 34 25.863 24.057 2.118 285 HZ2 LYS 34 HZ2 LYS 34 25.368 24.597 3.588 286 HZ3 LYS 34 HZ3 LYS 34 25.726 23.002 3.367 287 H HIS 35 H HIS 35 18.100 24.334 6.135 288 HA HIS 35 HA HIS 35 17.287 22.071 7.793 289 HB2 HIS 35 HB2 HIS 35 17.995 24.248 8.753 290 HB3 HIS 35 HB3 HIS 35 16.627 25.040 7.966 291 HD1 HIS 35 HD1 HIS 35 17.061 22.095 10.480 292 HD2 HIS 35 HD2 HIS 35 14.546 25.320 9.468 293 HE1 HIS 35 HE1 HIS 35 15.181 22.138 12.237 294 HE2 HIS 35 HE2 HIS 35 13.665 24.115 11.615 295 H ILE 36 H ILE 36 15.788 24.257 5.395 296 HA ILE 36 HA ILE 36 13.090 23.308 5.956 297 HB ILE 36 HB ILE 36 14.334 24.954 3.728 298 HG12 ILE 36 HG12 ILE 36 12.416 25.712 5.960 299 HG13 ILE 36 HG13 ILE 36 14.180 25.909 6.055 300 HG21 ILE 36 HG21 ILE 36 12.369 23.745 2.826 301 HG22 ILE 36 HG22 ILE 36 11.390 24.299 4.202 302 HG23 ILE 36 HG23 ILE 36 12.014 25.469 3.013 303 HD11 ILE 36 HD11 ILE 36 14.116 27.374 4.052 304 HD12 ILE 36 HD12 ILE 36 12.331 27.270 4.055 305 HD13 ILE 36 HD13 ILE 36 13.183 28.027 5.411 306 H GLU 37 H GLU 37 15.764 22.385 3.828 307 HA GLU 37 HA GLU 37 14.226 20.715 2.074 308 HB2 GLU 37 HB2 GLU 37 17.160 20.826 2.816 309 HB3 GLU 37 HB3 GLU 37 16.507 19.747 1.563 310 HG2 GLU 37 HG2 GLU 37 15.622 21.651 0.310 311 HG3 GLU 37 HG3 GLU 37 16.153 22.770 1.562 312 H ARG 38 H ARG 38 15.746 20.140 5.259 313 HA ARG 38 HA ARG 38 15.141 17.257 5.042 314 HB2 ARG 38 HB2 ARG 38 16.299 17.063 7.160 315 HB3 ARG 38 HB3 ARG 38 17.279 17.996 6.018 316 HG2 ARG 38 HG2 ARG 38 16.431 20.114 7.097 317 HG3 ARG 38 HG3 ARG 38 15.574 19.112 8.289 318 HD2 ARG 38 HD2 ARG 38 17.703 19.867 9.210 319 HD3 ARG 38 HD3 ARG 38 17.738 18.109 8.974 320 HE ARG 38 HE ARG 38 18.855 19.905 6.871 321 HH11 ARG 38 HH11 ARG 38 19.409 17.491 9.396 322 HH12 ARG 38 HH12 ARG 38 21.041 17.150 8.871 323 HH21 ARG 38 HH21 ARG 38 20.972 19.434 6.206 324 HH22 ARG 38 HH22 ARG 38 21.919 18.244 7.069 325 H GLN 39 H GLN 39 13.587 20.140 6.068 326 HA GLN 39 HA GLN 39 11.930 18.937 8.132 327 HB2 GLN 39 HB2 GLN 39 12.428 21.298 8.202 328 HB3 GLN 39 HB3 GLN 39 11.843 21.518 6.547 329 HG2 GLN 39 HG2 GLN 39 10.195 22.344 8.184 330 HG3 GLN 39 HG3 GLN 39 9.549 21.019 7.223 331 HE21 GLN 39 HE21 GLN 39 7.964 20.542 8.806 332 HE22 GLN 39 HE22 GLN 39 8.378 19.769 10.326 333 H PHE 40 H PHE 40 11.818 19.304 4.631 334 HA PHE 40 HA PHE 40 9.185 17.942 4.629 335 HB2 PHE 40 HB2 PHE 40 9.971 20.323 2.935 336 HB3 PHE 40 HB3 PHE 40 8.534 19.337 2.677 337 HD1 PHE 40 HD1 PHE 40 9.537 22.340 3.956 338 HD2 PHE 40 HD2 PHE 40 7.186 18.923 5.092 339 HE1 PHE 40 HE1 PHE 40 8.267 23.747 5.562 340 HE2 PHE 40 HE2 PHE 40 5.937 20.319 6.708 341 HZ PHE 40 HZ PHE 40 6.473 22.731 6.945 342 H ASN 41 H ASN 41 12.240 17.385 3.941 343 HA ASN 41 HA ASN 41 13.418 16.132 2.513 344 HB2 ASN 41 HB2 ASN 41 10.732 14.858 1.925 345 HB3 ASN 41 HB3 ASN 41 12.296 14.179 1.478 346 HD21 ASN 41 HD21 ASN 41 10.433 12.821 3.123 347 HD22 ASN 41 HD22 ASN 41 11.134 12.660 4.720 348 H CYS 42 H CYS 42 12.007 18.675 1.491 349 HA CYS 42 HA CYS 42 11.938 18.217 -1.411 350 HB2 CYS 42 HB2 CYS 42 11.615 20.707 0.309 351 HB3 CYS 42 HB3 CYS 42 11.335 20.617 -1.446 352 HG CYS 42 HG CYS 42 9.043 20.652 -0.169 353 H VAL 43 H VAL 43 13.092 20.132 -2.647 354 HA VAL 43 HA VAL 43 15.789 20.686 -1.512 355 HB VAL 43 HB VAL 43 15.118 19.740 -4.328 356 HG11 VAL 43 HG11 VAL 43 17.746 20.743 -3.161 357 HG12 VAL 43 HG12 VAL 43 17.555 19.951 -4.748 358 HG13 VAL 43 HG13 VAL 43 16.795 21.520 -4.452 359 HG21 VAL 43 HG21 VAL 43 15.316 17.909 -2.686 360 HG22 VAL 43 HG22 VAL 43 16.698 17.915 -3.798 361 HG23 VAL 43 HG23 VAL 43 16.885 18.558 -2.150 362 H ILE 44 H ILE 44 16.580 22.769 -2.048 363 HA ILE 44 HA ILE 44 14.686 24.515 -3.539 364 HB ILE 44 HB ILE 44 15.958 25.098 -0.841 365 HG12 ILE 44 HG12 ILE 44 13.051 24.728 -1.668 366 HG13 ILE 44 HG13 ILE 44 14.014 23.572 -0.738 367 HG21 ILE 44 HG21 ILE 44 14.770 27.251 -0.948 368 HG22 ILE 44 HG22 ILE 44 15.876 27.107 -2.320 369 HG23 ILE 44 HG23 ILE 44 14.135 26.837 -2.554 370 HD11 ILE 44 HD11 ILE 44 13.227 26.369 0.167 371 HD12 ILE 44 HD12 ILE 44 12.620 24.824 0.780 372 HD13 ILE 44 HD13 ILE 44 14.316 25.271 1.057 373 H THR 45 H THR 45 15.600 26.159 -4.710 374 HA THR 45 HA THR 45 18.523 26.440 -4.590 375 HB THR 45 HB THR 45 17.254 26.182 -7.280 376 HG1 THR 45 HG1 THR 45 17.881 24.022 -7.238 377 HG21 THR 45 HG21 THR 45 19.494 27.172 -7.153 378 HG22 THR 45 HG22 THR 45 20.075 25.787 -6.191 379 HG23 THR 45 HG23 THR 45 19.586 25.566 -7.889 380 H VAL 46 H VAL 46 18.987 28.451 -4.139 381 HA VAL 46 HA VAL 46 17.309 30.631 -5.144 382 HB VAL 46 HB VAL 46 19.915 30.732 -3.587 383 HG11 VAL 46 HG11 VAL 46 19.116 33.012 -3.000 384 HG12 VAL 46 HG12 VAL 46 19.419 32.837 -4.742 385 HG13 VAL 46 HG13 VAL 46 17.751 32.813 -4.123 386 HG21 VAL 46 HG21 VAL 46 18.164 29.551 -2.321 387 HG22 VAL 46 HG22 VAL 46 18.441 31.170 -1.639 388 HG23 VAL 46 HG23 VAL 46 17.013 30.864 -2.653 389 H HIS 47 H HIS 47 17.973 32.230 -6.635 390 HA HIS 47 HA HIS 47 20.320 31.499 -8.317 391 HB2 HIS 47 HB2 HIS 47 17.469 32.103 -9.127 392 HB3 HIS 47 HB3 HIS 47 18.828 32.254 -10.253 393 HD1 HIS 47 HD1 HIS 47 20.278 29.861 -10.616 394 HD2 HIS 47 HD2 HIS 47 16.419 29.703 -8.923 395 HE1 HIS 47 HE1 HIS 47 19.456 27.437 -10.870 396 HE2 HIS 47 HE2 HIS 47 17.103 27.366 -9.852 397 H THR 48 H THR 48 21.092 33.192 -6.614 398 HA THR 48 HA THR 48 20.405 35.900 -7.038 399 HB THR 48 HB THR 48 22.105 36.506 -5.625 400 HG1 THR 48 HG1 THR 48 23.997 35.305 -5.411 401 HG21 THR 48 HG21 THR 48 22.219 34.867 -3.828 402 HG22 THR 48 HG22 THR 48 20.589 34.853 -4.519 403 HG23 THR 48 HG23 THR 48 21.742 33.554 -4.920 404 H GLU 49 H GLU 49 22.007 33.830 -9.136 405 HA GLU 49 HA GLU 49 23.588 35.757 -10.582 406 HB2 GLU 49 HB2 GLU 49 23.671 33.969 -12.281 407 HB3 GLU 49 HB3 GLU 49 23.967 33.333 -10.652 408 HG2 GLU 49 HG2 GLU 49 21.447 32.769 -10.574 409 HG3 GLU 49 HG3 GLU 49 21.438 33.086 -12.315 410 H VAL 50 H VAL 50 20.345 35.705 -9.997 411 HA VAL 50 HA VAL 50 19.735 37.138 -12.500 412 HB VAL 50 HB VAL 50 17.683 35.404 -11.155 413 HG11 VAL 50 HG11 VAL 50 17.936 36.575 -13.952 414 HG12 VAL 50 HG12 VAL 50 16.605 35.549 -13.377 415 HG13 VAL 50 HG13 VAL 50 16.848 37.149 -12.663 416 HG21 VAL 50 HG21 VAL 50 19.422 33.853 -11.786 417 HG22 VAL 50 HG22 VAL 50 18.066 33.710 -12.912 418 HG23 VAL 50 HG23 VAL 50 19.544 34.583 -13.413 419 H GLN 51 H GLN 51 18.427 38.946 -12.317 420 HA GLN 51 HA GLN 51 16.937 39.434 -9.875 421 HB2 GLN 51 HB2 GLN 51 19.134 40.167 -9.123 422 HB3 GLN 51 HB3 GLN 51 19.341 41.167 -10.578 423 HG2 GLN 51 HG2 GLN 51 17.581 42.656 -9.904 424 HG3 GLN 51 HG3 GLN 51 17.041 41.548 -8.623 425 HE21 GLN 51 HE21 GLN 51 20.493 42.198 -9.227 426 HE22 GLN 51 HE22 GLN 51 20.762 43.098 -7.752 427 H SER 52 H SER 52 15.069 40.220 -10.568 428 HA SER 52 HA SER 52 14.831 41.474 -13.193 429 HB2 SER 52 HB2 SER 52 13.144 39.876 -12.279 430 HB3 SER 52 HB3 SER 52 12.751 41.056 -11.007 431 HG SER 52 HG SER 52 11.390 41.150 -12.913 432 H SER 53 H SER 53 13.438 43.531 -13.327 433 HA SER 53 HA SER 53 14.762 45.684 -12.019 434 HB2 SER 53 HB2 SER 53 13.646 45.850 -14.209 435 HB3 SER 53 HB3 SER 53 12.072 45.559 -13.436 436 HG SER 53 HG SER 53 12.517 47.789 -13.781 437 H PHE 54 H PHE 54 12.312 43.547 -10.902 438 HA PHE 54 HA PHE 54 10.944 45.276 -9.084 439 HB2 PHE 54 HB2 PHE 54 11.381 42.280 -9.063 440 HB3 PHE 54 HB3 PHE 54 10.263 43.150 -8.007 441 HD1 PHE 54 HD1 PHE 54 10.495 41.342 -10.980 442 HD2 PHE 54 HD2 PHE 54 8.588 44.790 -9.295 443 HE1 PHE 54 HE1 PHE 54 8.699 41.180 -12.696 444 HE2 PHE 54 HE2 PHE 54 6.788 44.644 -11.004 445 HZ PHE 54 HZ PHE 54 6.849 42.836 -12.709 446 H GLY 55 H GLY 55 14.175 44.138 -9.021 447 HA2 GLY 55 HA2 GLY 55 15.801 44.458 -7.428 448 HA3 GLY 55 HA3 GLY 55 14.597 45.227 -6.366 449 H ALA 56 H ALA 56 14.357 41.983 -7.833 450 HA ALA 56 HA ALA 56 14.655 40.742 -5.146 451 HB1 ALA 56 HB1 ALA 56 12.370 40.337 -7.103 452 HB2 ALA 56 HB2 ALA 56 12.623 39.414 -5.605 453 HB3 ALA 56 HB3 ALA 56 12.278 41.157 -5.523 454 H THR 57 H THR 57 15.092 38.513 -5.144 455 HA THR 57 HA THR 57 16.509 37.527 -7.591 456 HB THR 57 HB THR 57 16.822 37.139 -4.593 457 HG1 THR 57 HG1 THR 57 17.970 38.803 -5.620 458 HG21 THR 57 HG21 THR 57 18.567 35.441 -5.094 459 HG22 THR 57 HG22 THR 57 16.938 34.883 -5.513 460 HG23 THR 57 HG23 THR 57 18.047 35.437 -6.795 461 HA PRO 58 HA PRO 58 13.157 34.523 -7.497 462 HB2 PRO 58 HB2 PRO 58 13.862 32.990 -9.608 463 HB3 PRO 58 HB3 PRO 58 13.323 34.695 -9.812 464 HG2 PRO 58 HG2 PRO 58 16.161 33.635 -9.730 465 HG3 PRO 58 HG3 PRO 58 15.444 34.772 -10.908 466 HD2 PRO 58 HD2 PRO 58 16.902 35.575 -8.701 467 HD3 PRO 58 HD3 PRO 58 15.581 36.558 -9.396 468 H VAL 59 H VAL 59 12.802 32.343 -6.963 469 HA VAL 59 HA VAL 59 15.124 30.666 -6.253 470 HB VAL 59 HB VAL 59 12.813 31.112 -4.335 471 HG11 VAL 59 HG11 VAL 59 13.898 28.939 -4.093 472 HG12 VAL 59 HG12 VAL 59 15.499 29.720 -4.045 473 HG13 VAL 59 HG13 VAL 59 14.324 29.989 -2.735 474 HG21 VAL 59 HG21 VAL 59 14.444 32.352 -2.932 475 HG22 VAL 59 HG22 VAL 59 15.614 32.301 -4.268 476 HG23 VAL 59 HG23 VAL 59 14.086 33.199 -4.449 477 H GLU 60 H GLU 60 14.642 28.403 -6.135 478 HA GLU 60 HA GLU 60 12.041 27.627 -7.362 479 HB2 GLU 60 HB2 GLU 60 14.840 26.746 -8.114 480 HB3 GLU 60 HB3 GLU 60 13.371 25.895 -8.636 481 HG2 GLU 60 HG2 GLU 60 12.562 27.834 -9.816 482 HG3 GLU 60 HG3 GLU 60 13.834 28.861 -9.138 483 H ILE 61 H ILE 61 11.377 25.440 -6.958 484 HA ILE 61 HA ILE 61 12.660 24.124 -4.624 485 HB ILE 61 HB ILE 61 9.697 24.717 -4.885 486 HG12 ILE 61 HG12 ILE 61 11.781 25.965 -3.050 487 HG13 ILE 61 HG13 ILE 61 10.947 26.762 -4.396 488 HG21 ILE 61 HG21 ILE 61 10.172 22.588 -3.733 489 HG22 ILE 61 HG22 ILE 61 11.274 23.433 -2.616 490 HG23 ILE 61 HG23 ILE 61 9.528 23.780 -2.609 491 HD11 ILE 61 HD11 ILE 61 9.885 27.422 -2.339 492 HD12 ILE 61 HD12 ILE 61 8.770 26.382 -3.257 493 HD13 ILE 61 HD13 ILE 61 9.655 25.733 -1.848 494 H VAL 62 H VAL 62 12.340 21.886 -4.547 495 HA VAL 62 HA VAL 62 10.827 20.616 -6.760 496 HB VAL 62 HB VAL 62 13.715 19.973 -6.048 497 HG11 VAL 62 HG11 VAL 62 11.840 18.758 -8.112 498 HG12 VAL 62 HG12 VAL 62 13.573 18.396 -7.955 499 HG13 VAL 62 HG13 VAL 62 12.458 17.950 -6.651 500 HG21 VAL 62 HG21 VAL 62 14.198 20.680 -8.370 501 HG22 VAL 62 HG22 VAL 62 12.507 21.172 -8.573 502 HG23 VAL 62 HG23 VAL 62 13.556 22.020 -7.402 503 H ALA 63 H ALA 63 9.911 18.656 -6.229 504 HA ALA 63 HA ALA 63 10.685 17.189 -3.834 505 HB1 ALA 63 HB1 ALA 63 7.934 18.494 -3.963 506 HB2 ALA 63 HB2 ALA 63 8.554 17.443 -2.670 507 HB3 ALA 63 HB3 ALA 63 9.265 19.056 -2.922 508 H GLN 64 H GLN 64 9.229 15.220 -3.566 509 HA GLN 64 HA GLN 64 8.789 14.058 -6.182 510 HB2 GLN 64 HB2 GLN 64 9.742 12.811 -4.308 511 HB3 GLN 64 HB3 GLN 64 8.249 13.013 -3.371 512 HG2 GLN 64 HG2 GLN 64 6.994 11.636 -4.908 513 HG3 GLN 64 HG3 GLN 64 8.293 11.687 -6.107 514 HE21 GLN 64 HE21 GLN 64 7.728 9.251 -5.869 515 HE22 GLN 64 HE22 GLN 64 8.713 8.365 -4.721 516 H ASN 65 H ASN 65 6.780 15.894 -4.024 517 HA ASN 65 HA ASN 65 4.482 15.440 -5.770 518 HB2 ASN 65 HB2 ASN 65 2.987 14.781 -3.857 519 HB3 ASN 65 HB3 ASN 65 4.178 13.560 -4.312 520 HD21 ASN 65 HD21 ASN 65 4.662 12.483 -2.446 521 HD22 ASN 65 HD22 ASN 65 5.180 13.272 -0.963 522 H LYS 66 H LYS 66 2.620 16.847 -5.186 523 HA LYS 66 HA LYS 66 3.539 19.503 -4.500 524 HB2 LYS 66 HB2 LYS 66 0.743 18.383 -4.948 525 HB3 LYS 66 HB3 LYS 66 1.152 20.102 -4.807 526 HG2 LYS 66 HG2 LYS 66 2.603 19.953 -6.788 527 HG3 LYS 66 HG3 LYS 66 2.271 18.212 -6.919 528 HD2 LYS 66 HD2 LYS 66 0.900 19.441 -8.517 529 HD3 LYS 66 HD3 LYS 66 -0.130 18.689 -7.282 530 HE2 LYS 66 HE2 LYS 66 -0.268 20.840 -6.078 531 HE3 LYS 66 HE3 LYS 66 0.793 21.588 -7.295 532 HZ1 LYS 66 HZ1 LYS 66 -1.524 22.027 -7.726 533 HZ2 LYS 66 HZ2 LYS 66 -0.891 21.121 -8.940 534 HZ3 LYS 66 HZ3 LYS 66 -1.860 20.421 -7.813 535 H GLU 67 H GLU 67 2.348 16.822 -2.679 536 HA GLU 67 HA GLU 67 1.109 18.305 -0.542 537 HB2 GLU 67 HB2 GLU 67 2.279 15.491 -0.589 538 HB3 GLU 67 HB3 GLU 67 1.195 16.133 0.652 539 HG2 GLU 67 HG2 GLU 67 0.498 15.814 -2.298 540 HG3 GLU 67 HG3 GLU 67 0.032 14.702 -1.016 541 H GLN 68 H GLN 68 4.330 18.147 -1.482 542 HA GLN 68 HA GLN 68 5.183 18.965 1.257 543 HB2 GLN 68 HB2 GLN 68 6.699 17.195 -0.692 544 HB3 GLN 68 HB3 GLN 68 7.355 17.840 0.822 545 HG2 GLN 68 HG2 GLN 68 5.837 16.554 2.149 546 HG3 GLN 68 HG3 GLN 68 4.853 16.110 0.747 547 HE21 GLN 68 HE21 GLN 68 8.454 16.064 1.078 548 HE22 GLN 68 HE22 GLN 68 8.595 14.348 0.751 549 H CYS 69 H CYS 69 5.409 19.387 -2.281 550 HA CYS 69 HA CYS 69 7.644 21.191 -2.217 551 HB2 CYS 69 HB2 CYS 69 6.547 19.917 -4.205 552 HB3 CYS 69 HB3 CYS 69 5.345 21.221 -4.214 553 HG CYS 69 HG CYS 69 6.966 23.176 -4.527 554 H GLN 70 H GLN 70 4.114 21.535 -1.784 555 HA GLN 70 HA GLN 70 4.121 24.428 -1.870 556 HB2 GLN 70 HB2 GLN 70 2.130 22.423 -0.737 557 HB3 GLN 70 HB3 GLN 70 1.832 24.156 -0.906 558 HG2 GLN 70 HG2 GLN 70 2.486 22.281 -3.223 559 HG3 GLN 70 HG3 GLN 70 0.855 22.767 -2.752 560 HE21 GLN 70 HE21 GLN 70 1.631 23.245 -5.314 561 HE22 GLN 70 HE22 GLN 70 1.888 24.960 -5.563 562 H GLU 71 H GLU 71 4.664 21.982 0.647 563 HA GLU 71 HA GLU 71 4.217 23.797 2.845 564 HB2 GLU 71 HB2 GLU 71 5.853 21.233 2.720 565 HB3 GLU 71 HB3 GLU 71 5.265 22.032 4.189 566 HG2 GLU 71 HG2 GLU 71 3.512 20.842 1.991 567 HG3 GLU 71 HG3 GLU 71 3.869 20.086 3.540 568 H ALA 72 H ALA 72 7.042 22.875 0.872 569 HA ALA 72 HA ALA 72 8.900 24.419 2.501 570 HB1 ALA 72 HB1 ALA 72 9.128 23.210 -0.287 571 HB2 ALA 72 HB2 ALA 72 10.476 23.864 0.668 572 HB3 ALA 72 HB3 ALA 72 9.602 22.421 1.234 573 H ARG 73 H ARG 73 6.652 25.085 -0.077 574 HA ARG 73 HA ARG 73 7.959 27.529 -1.008 575 HB2 ARG 73 HB2 ARG 73 6.621 26.277 -2.568 576 HB3 ARG 73 HB3 ARG 73 5.265 26.193 -1.443 577 HG2 ARG 73 HG2 ARG 73 4.824 27.772 -3.240 578 HG3 ARG 73 HG3 ARG 73 4.861 28.599 -1.674 579 HD2 ARG 73 HD2 ARG 73 7.017 29.559 -2.137 580 HD3 ARG 73 HD3 ARG 73 7.291 28.443 -3.484 581 HE ARG 73 HE ARG 73 6.279 29.946 -4.863 582 HH11 ARG 73 HH11 ARG 73 4.927 30.451 -1.630 583 HH12 ARG 73 HH12 ARG 73 3.872 31.742 -2.165 584 HH21 ARG 73 HH21 ARG 73 4.910 31.639 -5.508 585 HH22 ARG 73 HH22 ARG 73 3.856 32.402 -4.347 586 H ASN 74 H ASN 74 5.181 26.707 1.112 587 HA ASN 74 HA ASN 74 4.601 29.514 1.592 588 HB2 ASN 74 HB2 ASN 74 3.583 26.911 2.766 589 HB3 ASN 74 HB3 ASN 74 2.980 28.497 3.274 590 HD21 ASN 74 HD21 ASN 74 2.012 26.013 1.493 591 HD22 ASN 74 HD22 ASN 74 1.180 26.844 0.191 592 H ALA 75 H ALA 75 6.952 27.369 2.878 593 HA ALA 75 HA ALA 75 7.008 28.585 5.534 594 HB1 ALA 75 HB1 ALA 75 8.942 26.726 4.083 595 HB2 ALA 75 HB2 ALA 75 9.018 27.171 5.805 596 HB3 ALA 75 HB3 ALA 75 7.637 26.241 5.192 597 H VAL 76 H VAL 76 8.246 29.424 2.398 598 HA VAL 76 HA VAL 76 10.432 31.019 3.608 599 HB VAL 76 HB VAL 76 9.948 30.288 0.699 600 HG11 VAL 76 HG11 VAL 76 12.343 31.536 2.111 601 HG12 VAL 76 HG12 VAL 76 12.364 30.889 0.454 602 HG13 VAL 76 HG13 VAL 76 11.346 32.281 0.832 603 HG21 VAL 76 HG21 VAL 76 11.887 29.140 2.748 604 HG22 VAL 76 HG22 VAL 76 10.438 28.311 2.135 605 HG23 VAL 76 HG23 VAL 76 11.779 28.684 1.033 606 H MET 77 H MET 77 7.223 31.451 2.730 607 HA MET 77 HA MET 77 7.616 34.087 1.521 608 HB2 MET 77 HB2 MET 77 5.124 32.568 2.379 609 HB3 MET 77 HB3 MET 77 5.105 34.128 1.540 610 HG2 MET 77 HG2 MET 77 6.372 31.590 0.441 611 HG3 MET 77 HG3 MET 77 4.766 32.180 0.038 612 HE1 MET 77 HE1 MET 77 8.735 33.429 -1.778 613 HE2 MET 77 HE2 MET 77 8.631 33.217 -0.020 614 HE3 MET 77 HE3 MET 77 8.221 31.862 -1.096 615 H SER 78 H SER 78 7.684 33.038 4.757 616 HA SER 78 HA SER 78 7.449 35.823 5.614 617 HB2 SER 78 HB2 SER 78 5.089 35.143 5.575 618 HB3 SER 78 HB3 SER 78 5.465 33.722 6.565 619 HG SER 78 HG SER 78 5.755 36.446 7.302 620 H LEU 79 H LEU 79 7.883 32.374 6.526 621 HA LEU 79 HA LEU 79 9.112 33.175 9.076 622 HB2 LEU 79 HB2 LEU 79 8.760 30.437 7.799 623 HB3 LEU 79 HB3 LEU 79 9.241 30.761 9.476 624 HG LEU 79 HG LEU 79 6.570 31.513 8.206 625 HD11 LEU 79 HD11 LEU 79 7.320 29.358 10.220 626 HD12 LEU 79 HD12 LEU 79 5.666 29.738 9.675 627 HD13 LEU 79 HD13 LEU 79 6.846 29.083 8.526 628 HD21 LEU 79 HD21 LEU 79 7.185 33.087 9.985 629 HD22 LEU 79 HD22 LEU 79 5.902 31.998 10.554 630 HD23 LEU 79 HD23 LEU 79 7.587 31.731 11.072 631 H MET 80 H MET 80 10.050 31.546 6.036 632 HA MET 80 HA MET 80 12.021 31.061 5.081 633 HB2 MET 80 HB2 MET 80 13.076 33.557 6.435 634 HB3 MET 80 HB3 MET 80 13.604 32.844 4.900 635 HG2 MET 80 HG2 MET 80 11.312 33.263 3.980 636 HG3 MET 80 HG3 MET 80 10.882 34.067 5.497 637 HE1 MET 80 HE1 MET 80 14.043 34.165 3.077 638 HE2 MET 80 HE2 MET 80 12.568 34.271 2.080 639 HE3 MET 80 HE3 MET 80 13.666 35.666 2.200 640 H GLN 81 H GLN 81 11.589 30.375 8.123 641 HA GLN 81 HA GLN 81 12.695 29.505 9.870 642 HB2 GLN 81 HB2 GLN 81 14.326 28.319 7.600 643 HB3 GLN 81 HB3 GLN 81 14.465 27.799 9.287 644 HG2 GLN 81 HG2 GLN 81 11.915 27.760 7.632 645 HG3 GLN 81 HG3 GLN 81 12.922 26.357 8.009 646 HE21 GLN 81 HE21 GLN 81 10.126 26.594 8.646 647 HE22 GLN 81 HE22 GLN 81 9.993 26.564 10.394 648 H SER 82 H SER 82 13.668 32.189 8.860 649 HA SER 82 HA SER 82 15.782 32.445 10.833 650 HB2 SER 82 HB2 SER 82 17.115 31.573 9.000 651 HB3 SER 82 HB3 SER 82 16.413 32.758 7.877 652 HG SER 82 HG SER 82 18.500 33.346 8.712 653 H HIS 83 H HIS 83 13.404 33.815 8.698 654 HA HIS 83 HA HIS 83 14.220 36.562 8.902 655 HB2 HIS 83 HB2 HIS 83 12.660 35.608 7.190 656 HB3 HIS 83 HB3 HIS 83 11.456 35.373 8.459 657 HD1 HIS 83 HD1 HIS 83 13.413 38.369 6.878 658 HD2 HIS 83 HD2 HIS 83 9.791 37.321 8.769 659 HE1 HIS 83 HE1 HIS 83 11.936 40.459 6.829 660 HE2 HIS 83 HE2 HIS 83 9.734 39.817 7.976 661 H GLN 84 H GLN 84 13.478 38.207 10.297 662 HA GLN 84 HA GLN 84 11.799 37.434 12.587 663 HB2 GLN 84 HB2 GLN 84 13.449 38.115 14.248 664 HB3 GLN 84 HB3 GLN 84 14.058 36.763 13.274 665 HG2 GLN 84 HG2 GLN 84 15.411 38.323 11.918 666 HG3 GLN 84 HG3 GLN 84 14.751 39.698 12.807 667 HE21 GLN 84 HE21 GLN 84 17.327 39.795 12.892 668 HE22 GLN 84 HE22 GLN 84 18.011 39.158 14.374 669 H ASP 85 H ASP 85 12.545 39.677 10.238 670 HA ASP 85 HA ASP 85 12.067 42.040 11.866 671 HB2 ASP 85 HB2 ASP 85 12.467 41.652 8.900 672 HB3 ASP 85 HB3 ASP 85 12.081 43.214 9.629 673 H LYS 86 H LYS 86 10.022 39.721 11.099 674 HA LYS 86 HA LYS 86 7.788 41.089 9.927 675 HB2 LYS 86 HB2 LYS 86 8.110 38.651 9.847 676 HB3 LYS 86 HB3 LYS 86 7.950 38.554 11.609 677 HG2 LYS 86 HG2 LYS 86 5.630 39.374 11.467 678 HG3 LYS 86 HG3 LYS 86 5.797 39.566 9.704 679 HD2 LYS 86 HD2 LYS 86 6.286 37.121 9.524 680 HD3 LYS 86 HD3 LYS 86 6.007 36.958 11.270 681 HE2 LYS 86 HE2 LYS 86 3.706 37.778 10.998 682 HE3 LYS 86 HE3 LYS 86 3.971 38.004 9.260 683 HZ1 LYS 86 HZ1 LYS 86 4.080 35.425 10.686 684 HZ2 LYS 86 HZ2 LYS 86 2.873 35.929 9.696 685 HZ3 LYS 86 HZ3 LYS 86 4.370 35.639 9.081 Start of MODEL 4 1 H1 SER 1 H SER 1 -2.827 -2.989 -4.446 2 HA SER 1 HA SER 1 -2.957 -0.759 -3.626 3 HB2 SER 1 HB2 SER 1 -0.135 -1.797 -4.087 4 HB3 SER 1 HB3 SER 1 -0.589 -0.547 -2.904 5 HG SER 1 HG SER 1 -0.547 -2.624 -1.956 6 H GLY 2 H GLY 2 -1.884 1.399 -3.630 7 HA2 GLY 2 HA2 GLY 2 -2.003 2.545 -6.287 8 HA3 GLY 2 HA3 GLY 2 -1.698 3.395 -4.767 9 H SER 3 H SER 3 -0.228 4.421 -6.556 10 HA SER 3 HA SER 3 2.178 3.056 -7.297 11 HB2 SER 3 HB2 SER 3 1.396 4.947 -8.583 12 HB3 SER 3 HB3 SER 3 1.477 6.007 -7.160 13 HG SER 3 HG SER 3 3.313 6.171 -8.547 14 H HIS 4 H HIS 4 4.278 3.224 -6.516 15 HA HIS 4 HA HIS 4 4.500 3.717 -3.633 16 HB2 HIS 4 HB2 HIS 4 6.419 2.621 -5.717 17 HB3 HIS 4 HB3 HIS 4 6.846 2.879 -4.025 18 HD1 HIS 4 HD1 HIS 4 3.739 1.102 -5.608 19 HD2 HIS 4 HD2 HIS 4 6.859 0.617 -2.814 20 HE1 HIS 4 HE1 HIS 4 3.408 -1.211 -4.540 21 HE2 HIS 4 HE2 HIS 4 5.312 -1.494 -2.844 22 H MET 5 H MET 5 4.554 5.730 -6.228 23 HA MET 5 HA MET 5 5.393 7.757 -6.701 24 HB2 MET 5 HB2 MET 5 4.334 8.153 -4.493 25 HB3 MET 5 HB3 MET 5 5.914 7.954 -3.715 26 HG2 MET 5 HG2 MET 5 6.780 9.910 -4.883 27 HG3 MET 5 HG3 MET 5 5.316 10.007 -5.870 28 HE1 MET 5 HE1 MET 5 5.640 9.305 -1.952 29 HE2 MET 5 HE2 MET 5 6.938 10.454 -2.358 30 HE3 MET 5 HE3 MET 5 5.576 10.970 -1.343 31 H LYS 6 H LYS 6 7.292 5.347 -6.522 32 HA LYS 6 HA LYS 6 9.872 6.563 -5.926 33 HB2 LYS 6 HB2 LYS 6 10.764 4.381 -6.596 34 HB3 LYS 6 HB3 LYS 6 9.433 4.193 -5.444 35 HG2 LYS 6 HG2 LYS 6 7.871 3.725 -7.333 36 HG3 LYS 6 HG3 LYS 6 9.228 3.861 -8.468 37 HD2 LYS 6 HD2 LYS 6 9.003 1.841 -6.188 38 HD3 LYS 6 HD3 LYS 6 8.704 1.505 -7.901 39 HE2 LYS 6 HE2 LYS 6 11.054 2.157 -8.422 40 HE3 LYS 6 HE3 LYS 6 11.343 2.444 -6.701 41 HZ1 LYS 6 HZ1 LYS 6 10.583 -0.136 -7.898 42 HZ2 LYS 6 HZ2 LYS 6 12.080 0.268 -7.352 43 HZ3 LYS 6 HZ3 LYS 6 10.830 0.133 -6.294 44 H THR 7 H THR 7 7.836 7.124 -8.380 45 HA THR 7 HA THR 7 9.406 6.742 -10.680 46 HB THR 7 HB THR 7 7.378 8.917 -10.602 47 HG1 THR 7 HG1 THR 7 5.788 7.316 -10.690 48 HG21 THR 7 HG21 THR 7 8.451 8.386 -12.743 49 HG22 THR 7 HG22 THR 7 8.049 6.661 -12.543 50 HG23 THR 7 HG23 THR 7 6.756 7.861 -12.769 51 H CYS 8 H CYS 8 10.401 8.218 -12.147 52 HA CYS 8 HA CYS 8 12.292 9.896 -10.754 53 HB2 CYS 8 HB2 CYS 8 13.177 10.306 -13.054 54 HB3 CYS 8 HB3 CYS 8 12.987 8.584 -12.657 55 HG CYS 8 HG CYS 8 11.025 10.582 -14.414 56 H VAL 9 H VAL 9 9.136 10.539 -11.901 57 HA VAL 9 HA VAL 9 9.582 13.257 -12.708 58 HB VAL 9 HB VAL 9 7.641 11.802 -13.374 59 HG11 VAL 9 HG11 VAL 9 6.557 12.636 -10.645 60 HG12 VAL 9 HG12 VAL 9 5.681 11.756 -11.914 61 HG13 VAL 9 HG13 VAL 9 7.055 10.991 -11.080 62 HG21 VAL 9 HG21 VAL 9 7.738 14.254 -13.758 63 HG22 VAL 9 HG22 VAL 9 6.082 13.674 -13.480 64 HG23 VAL 9 HG23 VAL 9 6.952 14.520 -12.184 65 H VAL 10 H VAL 10 9.128 15.206 -11.620 66 HA VAL 10 HA VAL 10 8.734 15.080 -8.697 67 HB VAL 10 HB VAL 10 10.654 16.525 -8.264 68 HG11 VAL 10 HG11 VAL 10 11.520 14.024 -9.760 69 HG12 VAL 10 HG12 VAL 10 12.433 14.895 -8.509 70 HG13 VAL 10 HG13 VAL 10 10.926 14.061 -8.081 71 HG21 VAL 10 HG21 VAL 10 10.842 17.604 -10.486 72 HG22 VAL 10 HG22 VAL 10 12.386 16.894 -9.970 73 HG23 VAL 10 HG23 VAL 10 11.391 16.055 -11.182 74 H GLU 11 H GLU 11 8.197 17.104 -7.764 75 HA GLU 11 HA GLU 11 6.562 18.767 -9.513 76 HB2 GLU 11 HB2 GLU 11 5.813 17.974 -7.296 77 HB3 GLU 11 HB3 GLU 11 7.161 18.800 -6.527 78 HG2 GLU 11 HG2 GLU 11 5.111 20.086 -6.248 79 HG3 GLU 11 HG3 GLU 11 6.291 20.992 -7.193 80 H LYS 12 H LYS 12 6.715 21.129 -9.569 81 HA LYS 12 HA LYS 12 9.281 22.268 -8.672 82 HB2 LYS 12 HB2 LYS 12 8.431 22.022 -11.533 83 HB3 LYS 12 HB3 LYS 12 9.178 23.544 -11.013 84 HG2 LYS 12 HG2 LYS 12 11.069 22.288 -10.023 85 HG3 LYS 12 HG3 LYS 12 10.394 20.771 -10.663 86 HD2 LYS 12 HD2 LYS 12 10.617 21.603 -12.954 87 HD3 LYS 12 HD3 LYS 12 11.115 23.201 -12.360 88 HE2 LYS 12 HE2 LYS 12 13.104 22.215 -11.299 89 HE3 LYS 12 HE3 LYS 12 12.622 20.599 -11.859 90 HZ1 LYS 12 HZ1 LYS 12 12.842 21.374 -14.112 91 HZ2 LYS 12 HZ2 LYS 12 13.283 22.879 -13.593 92 HZ3 LYS 12 HZ3 LYS 12 14.253 21.587 -13.301 93 H ILE 13 H ILE 13 9.307 24.373 -8.186 94 HA ILE 13 HA ILE 13 6.920 26.061 -8.596 95 HB ILE 13 HB ILE 13 8.071 25.253 -5.904 96 HG12 ILE 13 HG12 ILE 13 5.267 25.205 -7.100 97 HG13 ILE 13 HG13 ILE 13 6.286 23.807 -6.728 98 HG21 ILE 13 HG21 ILE 13 7.875 27.720 -5.942 99 HG22 ILE 13 HG22 ILE 13 6.175 27.575 -6.462 100 HG23 ILE 13 HG23 ILE 13 6.701 26.999 -4.864 101 HD11 ILE 13 HD11 ILE 13 5.000 25.726 -4.753 102 HD12 ILE 13 HD12 ILE 13 4.686 23.989 -4.972 103 HD13 ILE 13 HD13 ILE 13 6.240 24.538 -4.293 104 H LYS 14 H LYS 14 7.416 28.295 -8.461 105 HA LYS 14 HA LYS 14 10.212 29.039 -7.897 106 HB2 LYS 14 HB2 LYS 14 10.216 28.654 -10.292 107 HB3 LYS 14 HB3 LYS 14 8.750 29.642 -10.485 108 HG2 LYS 14 HG2 LYS 14 9.957 31.655 -9.773 109 HG3 LYS 14 HG3 LYS 14 11.404 30.696 -9.406 110 HD2 LYS 14 HD2 LYS 14 11.636 31.847 -11.557 111 HD3 LYS 14 HD3 LYS 14 11.632 30.090 -11.785 112 HE2 LYS 14 HE2 LYS 14 9.230 30.183 -12.419 113 HE3 LYS 14 HE3 LYS 14 9.234 31.933 -12.162 114 HZ1 LYS 14 HZ1 LYS 14 9.519 31.373 -14.476 115 HZ2 LYS 14 HZ2 LYS 14 10.870 32.120 -13.914 116 HZ3 LYS 14 HZ3 LYS 14 10.866 30.492 -14.147 117 H GLN 15 H GLN 15 10.392 31.024 -6.920 118 HA GLN 15 HA GLN 15 8.181 32.925 -7.017 119 HB2 GLN 15 HB2 GLN 15 7.337 31.379 -5.325 120 HB3 GLN 15 HB3 GLN 15 8.873 31.442 -4.448 121 HG2 GLN 15 HG2 GLN 15 7.131 32.872 -3.405 122 HG3 GLN 15 HG3 GLN 15 8.538 33.801 -3.922 123 HE21 GLN 15 HE21 GLN 15 7.645 35.801 -4.389 124 HE22 GLN 15 HE22 GLN 15 6.377 36.048 -5.573 125 H TRP 16 H TRP 16 8.731 34.981 -6.283 126 HA TRP 16 HA TRP 16 11.634 35.477 -6.152 127 HB2 TRP 16 HB2 TRP 16 9.261 37.358 -6.398 128 HB3 TRP 16 HB3 TRP 16 10.965 37.797 -6.572 129 HD1 TRP 16 HD1 TRP 16 8.197 35.854 -8.365 130 HE1 TRP 16 HE1 TRP 16 8.800 35.564 -10.834 131 HE3 TRP 16 HE3 TRP 16 12.901 37.850 -8.281 132 HZ2 TRP 16 HZ2 TRP 16 11.050 36.138 -12.567 133 HZ3 TRP 16 HZ3 TRP 16 14.239 37.970 -10.346 134 HH2 TRP 16 HH2 TRP 16 13.329 37.126 -12.493 135 H ILE 17 H ILE 17 12.637 36.607 -4.527 136 HA ILE 17 HA ILE 17 11.041 37.528 -2.225 137 HB ILE 17 HB ILE 17 12.479 36.575 -0.616 138 HG12 ILE 17 HG12 ILE 17 14.288 35.667 -2.872 139 HG13 ILE 17 HG13 ILE 17 14.625 36.938 -1.682 140 HG21 ILE 17 HG21 ILE 17 12.034 34.365 -2.661 141 HG22 ILE 17 HG22 ILE 17 12.185 34.192 -0.892 142 HG23 ILE 17 HG23 ILE 17 10.784 35.022 -1.577 143 HD11 ILE 17 HD11 ILE 17 14.291 33.972 -1.100 144 HD12 ILE 17 HD12 ILE 17 15.789 34.923 -1.023 145 HD13 ILE 17 HD13 ILE 17 14.486 35.237 0.138 146 HA PRO 18 HA PRO 18 13.517 41.089 -3.100 147 HB2 PRO 18 HB2 PRO 18 13.520 42.391 -0.683 148 HB3 PRO 18 HB3 PRO 18 12.066 42.265 -1.723 149 HG2 PRO 18 HG2 PRO 18 12.832 40.477 0.610 150 HG3 PRO 18 HG3 PRO 18 11.258 41.306 0.324 151 HD2 PRO 18 HD2 PRO 18 11.610 38.719 -0.381 152 HD3 PRO 18 HD3 PRO 18 10.723 39.833 -1.465 153 H THR 19 H THR 19 15.656 41.994 -2.709 154 HA THR 19 HA THR 19 17.509 40.004 -2.108 155 HB THR 19 HB THR 19 18.395 42.849 -2.100 156 HG1 THR 19 HG1 THR 19 18.136 42.856 -4.335 157 HG21 THR 19 HG21 THR 19 19.379 40.308 -3.462 158 HG22 THR 19 HG22 THR 19 20.162 41.906 -3.534 159 HG23 THR 19 HG23 THR 19 20.070 41.043 -1.991 160 H THR 20 H THR 20 15.981 42.105 0.136 161 HA THR 20 HA THR 20 18.031 41.797 2.143 162 HB THR 20 HB THR 20 16.826 43.157 3.524 163 HG1 THR 20 HG1 THR 20 14.591 43.401 3.355 164 HG21 THR 20 HG21 THR 20 15.757 43.963 0.776 165 HG22 THR 20 HG22 THR 20 15.970 45.007 2.195 166 HG23 THR 20 HG23 THR 20 17.392 44.333 1.381 167 H GLU 21 H GLU 21 15.685 39.703 0.978 168 HA GLU 21 HA GLU 21 15.566 38.202 3.546 169 HB2 GLU 21 HB2 GLU 21 13.809 38.157 1.073 170 HB3 GLU 21 HB3 GLU 21 13.707 36.959 2.386 171 HG2 GLU 21 HG2 GLU 21 13.372 38.796 4.016 172 HG3 GLU 21 HG3 GLU 21 13.359 39.967 2.689 173 H VAL 22 H VAL 22 17.238 38.268 0.574 174 HA VAL 22 HA VAL 22 17.555 35.436 0.180 175 HB VAL 22 HB VAL 22 19.354 37.792 -0.529 176 HG11 VAL 22 HG11 VAL 22 20.637 35.704 -0.559 177 HG12 VAL 22 HG12 VAL 22 19.379 34.928 -1.552 178 HG13 VAL 22 HG13 VAL 22 20.345 36.274 -2.209 179 HG21 VAL 22 HG21 VAL 22 18.355 37.595 -2.759 180 HG22 VAL 22 HG22 VAL 22 17.343 36.236 -2.216 181 HG23 VAL 22 HG23 VAL 22 17.079 37.862 -1.552 182 H GLY 23 H GLY 23 19.045 37.825 2.325 183 HA2 GLY 23 HA2 GLY 23 21.255 36.152 3.152 184 HA3 GLY 23 HA3 GLY 23 20.674 37.621 3.952 185 H LYS 24 H LYS 24 17.849 36.232 3.932 186 HA LYS 24 HA LYS 24 18.174 34.926 6.527 187 HB2 LYS 24 HB2 LYS 24 15.716 35.460 4.819 188 HB3 LYS 24 HB3 LYS 24 15.704 34.799 6.464 189 HG2 LYS 24 HG2 LYS 24 16.855 36.828 7.296 190 HG3 LYS 24 HG3 LYS 24 16.817 37.519 5.653 191 HD2 LYS 24 HD2 LYS 24 14.353 37.466 5.679 192 HD3 LYS 24 HD3 LYS 24 14.370 36.676 7.269 193 HE2 LYS 24 HE2 LYS 24 13.925 39.072 7.522 194 HE3 LYS 24 HE3 LYS 24 15.482 38.646 8.248 195 HZ1 LYS 24 HZ1 LYS 24 15.116 39.873 5.596 196 HZ2 LYS 24 HZ2 LYS 24 15.615 40.653 6.944 197 HZ3 LYS 24 HZ3 LYS 24 16.561 39.487 6.272 198 H ILE 25 H ILE 25 18.735 33.830 3.481 199 HA ILE 25 HA ILE 25 17.879 31.066 4.228 200 HB ILE 25 HB ILE 25 17.992 32.268 1.448 201 HG12 ILE 25 HG12 ILE 25 15.549 31.567 3.122 202 HG13 ILE 25 HG13 ILE 25 16.110 33.207 2.733 203 HG21 ILE 25 HG21 ILE 25 16.955 30.148 0.735 204 HG22 ILE 25 HG22 ILE 25 18.509 29.854 1.514 205 HG23 ILE 25 HG23 ILE 25 17.000 29.559 2.412 206 HD11 ILE 25 HD11 ILE 25 14.349 32.664 1.206 207 HD12 ILE 25 HD12 ILE 25 15.885 32.657 0.298 208 HD13 ILE 25 HD13 ILE 25 15.110 31.125 0.762 209 H LEU 26 H LEU 26 20.331 33.216 2.834 210 HA LEU 26 HA LEU 26 22.172 30.893 2.540 211 HB2 LEU 26 HB2 LEU 26 22.217 33.519 1.020 212 HB3 LEU 26 HB3 LEU 26 23.208 32.086 0.705 213 HG LEU 26 HG LEU 26 20.179 32.257 0.383 214 HD11 LEU 26 HD11 LEU 26 22.455 32.161 -1.643 215 HD12 LEU 26 HD12 LEU 26 20.721 32.146 -2.023 216 HD13 LEU 26 HD13 LEU 26 21.454 33.584 -1.266 217 HD21 LEU 26 HD21 LEU 26 20.465 30.055 -0.746 218 HD22 LEU 26 HD22 LEU 26 22.186 30.057 -0.293 219 HD23 LEU 26 HD23 LEU 26 20.930 29.976 0.965 220 H GLY 27 H GLY 27 21.584 33.242 4.702 221 HA2 GLY 27 HA2 GLY 27 24.026 34.756 4.751 222 HA3 GLY 27 HA3 GLY 27 22.787 34.700 6.004 223 H ASN 28 H ASN 28 23.623 31.508 5.525 224 HA ASN 28 HA ASN 28 26.040 31.528 7.196 225 HB2 ASN 28 HB2 ASN 28 24.933 30.029 8.902 226 HB3 ASN 28 HB3 ASN 28 24.435 31.715 8.923 227 HD21 ASN 28 HD21 ASN 28 22.609 30.841 10.167 228 HD22 ASN 28 HD22 ASN 28 21.215 30.233 9.290 229 H ARG 29 H ARG 29 26.399 30.758 4.817 230 HA ARG 29 HA ARG 29 26.858 29.088 3.350 231 HB2 ARG 29 HB2 ARG 29 27.050 27.344 5.839 232 HB3 ARG 29 HB3 ARG 29 27.767 27.011 4.259 233 HG2 ARG 29 HG2 ARG 29 28.476 29.348 6.078 234 HG3 ARG 29 HG3 ARG 29 29.436 27.883 5.820 235 HD2 ARG 29 HD2 ARG 29 29.627 28.455 3.402 236 HD3 ARG 29 HD3 ARG 29 28.737 29.959 3.705 237 HE ARG 29 HE ARG 29 30.578 30.838 4.909 238 HH11 ARG 29 HH11 ARG 29 31.260 27.597 3.646 239 HH12 ARG 29 HH12 ARG 29 32.986 27.768 3.850 240 HH21 ARG 29 HH21 ARG 29 32.822 31.022 5.151 241 HH22 ARG 29 HH22 ARG 29 33.863 29.695 4.700 242 H ALA 30 H ALA 30 24.128 29.658 3.881 243 HA ALA 30 HA ALA 30 22.051 28.942 3.461 244 HB1 ALA 30 HB1 ALA 30 23.102 28.494 1.282 245 HB2 ALA 30 HB2 ALA 30 23.427 26.817 1.786 246 HB3 ALA 30 HB3 ALA 30 21.750 27.397 1.620 247 H ALA 31 H ALA 31 23.425 27.730 5.865 248 HA ALA 31 HA ALA 31 22.558 25.042 6.165 249 HB1 ALA 31 HB1 ALA 31 22.982 27.231 8.250 250 HB2 ALA 31 HB2 ALA 31 22.898 25.489 8.572 251 HB3 ALA 31 HB3 ALA 31 24.238 26.157 7.602 252 H VAL 32 H VAL 32 20.785 28.089 6.299 253 HA VAL 32 HA VAL 32 18.503 27.053 7.772 254 HB VAL 32 HB VAL 32 18.949 29.424 5.906 255 HG11 VAL 32 HG11 VAL 32 16.479 28.670 7.514 256 HG12 VAL 32 HG12 VAL 32 16.752 30.261 6.769 257 HG13 VAL 32 HG13 VAL 32 16.586 28.822 5.745 258 HG21 VAL 32 HG21 VAL 32 20.097 29.498 8.093 259 HG22 VAL 32 HG22 VAL 32 18.796 30.708 8.009 260 HG23 VAL 32 HG23 VAL 32 18.552 29.201 8.920 261 H LYS 33 H LYS 33 19.467 27.314 4.313 262 HA LYS 33 HA LYS 33 16.918 26.472 3.285 263 HB2 LYS 33 HB2 LYS 33 18.742 27.700 2.044 264 HB3 LYS 33 HB3 LYS 33 19.680 26.194 2.030 265 HG2 LYS 33 HG2 LYS 33 17.856 25.073 0.769 266 HG3 LYS 33 HG3 LYS 33 16.897 26.564 0.848 267 HD2 LYS 33 HD2 LYS 33 17.961 26.491 -1.325 268 HD3 LYS 33 HD3 LYS 33 18.731 27.767 -0.367 269 HE2 LYS 33 HE2 LYS 33 20.452 26.520 -1.521 270 HE3 LYS 33 HE3 LYS 33 20.567 26.159 0.209 271 HZ1 LYS 33 HZ1 LYS 33 19.277 24.466 -1.826 272 HZ2 LYS 33 HZ2 LYS 33 20.721 24.163 -1.111 273 HZ3 LYS 33 HZ3 LYS 33 19.329 24.114 -0.230 274 H LYS 34 H LYS 34 19.847 24.789 4.357 275 HA LYS 34 HA LYS 34 19.112 22.195 3.361 276 HB2 LYS 34 HB2 LYS 34 21.051 23.102 5.524 277 HB3 LYS 34 HB3 LYS 34 20.914 21.431 4.937 278 HG2 LYS 34 HG2 LYS 34 21.503 22.137 2.664 279 HG3 LYS 34 HG3 LYS 34 21.537 23.839 3.171 280 HD2 LYS 34 HD2 LYS 34 23.367 23.322 4.773 281 HD3 LYS 34 HD3 LYS 34 23.359 21.634 4.225 282 HE2 LYS 34 HE2 LYS 34 23.910 24.063 2.467 283 HE3 LYS 34 HE3 LYS 34 25.146 22.999 3.151 284 HZ1 LYS 34 HZ1 LYS 34 24.628 22.393 0.903 285 HZ2 LYS 34 HZ2 LYS 34 24.163 21.181 1.917 286 HZ3 LYS 34 HZ3 LYS 34 23.039 22.186 1.261 287 H HIS 35 H HIS 35 18.030 24.016 6.150 288 HA HIS 35 HA HIS 35 17.209 21.659 7.666 289 HB2 HIS 35 HB2 HIS 35 17.679 23.774 8.791 290 HB3 HIS 35 HB3 HIS 35 16.431 24.596 7.838 291 HD1 HIS 35 HD1 HIS 35 16.778 22.207 10.810 292 HD2 HIS 35 HD2 HIS 35 13.841 24.168 8.506 293 HE1 HIS 35 HE1 HIS 35 14.558 21.935 12.067 294 HE2 HIS 35 HE2 HIS 35 12.779 23.139 10.656 295 H ILE 36 H ILE 36 15.710 23.888 5.299 296 HA ILE 36 HA ILE 36 13.044 22.884 5.714 297 HB ILE 36 HB ILE 36 14.236 24.366 3.340 298 HG12 ILE 36 HG12 ILE 36 12.971 25.361 5.924 299 HG13 ILE 36 HG13 ILE 36 14.653 25.577 5.412 300 HG21 ILE 36 HG21 ILE 36 11.363 24.091 4.330 301 HG22 ILE 36 HG22 ILE 36 11.898 25.056 2.932 302 HG23 ILE 36 HG23 ILE 36 12.038 23.296 2.890 303 HD11 ILE 36 HD11 ILE 36 12.191 26.792 4.101 304 HD12 ILE 36 HD12 ILE 36 13.460 27.631 5.010 305 HD13 ILE 36 HD13 ILE 36 13.843 26.889 3.439 306 H GLU 37 H GLU 37 15.777 21.974 3.635 307 HA GLU 37 HA GLU 37 14.315 20.227 1.895 308 HB2 GLU 37 HB2 GLU 37 17.241 20.345 2.710 309 HB3 GLU 37 HB3 GLU 37 16.601 19.317 1.415 310 HG2 GLU 37 HG2 GLU 37 15.743 21.292 0.228 311 HG3 GLU 37 HG3 GLU 37 16.284 22.350 1.525 312 H ARG 38 H ARG 38 15.605 19.861 5.156 313 HA ARG 38 HA ARG 38 15.160 16.940 5.130 314 HB2 ARG 38 HB2 ARG 38 16.168 18.883 7.244 315 HB3 ARG 38 HB3 ARG 38 15.993 17.132 7.489 316 HG2 ARG 38 HG2 ARG 38 17.542 16.696 5.629 317 HG3 ARG 38 HG3 ARG 38 17.732 18.438 5.345 318 HD2 ARG 38 HD2 ARG 38 18.377 17.089 7.993 319 HD3 ARG 38 HD3 ARG 38 19.570 17.334 6.706 320 HE ARG 38 HE ARG 38 19.180 19.767 6.901 321 HH11 ARG 38 HH11 ARG 38 18.201 17.749 9.645 322 HH12 ARG 38 HH12 ARG 38 18.334 19.068 10.788 323 HH21 ARG 38 HH21 ARG 38 19.422 21.420 8.438 324 HH22 ARG 38 HH22 ARG 38 18.980 21.124 10.104 325 H GLN 39 H GLN 39 13.522 19.872 5.964 326 HA GLN 39 HA GLN 39 11.698 18.711 7.901 327 HB2 GLN 39 HB2 GLN 39 12.352 21.058 7.963 328 HB3 GLN 39 HB3 GLN 39 11.733 21.303 6.317 329 HG2 GLN 39 HG2 GLN 39 9.447 20.893 7.055 330 HG3 GLN 39 HG3 GLN 39 10.006 20.462 8.678 331 HE21 GLN 39 HE21 GLN 39 8.100 22.550 7.998 332 HE22 GLN 39 HE22 GLN 39 8.794 24.065 8.542 333 H PHE 40 H PHE 40 11.785 19.146 4.398 334 HA PHE 40 HA PHE 40 9.113 17.899 4.248 335 HB2 PHE 40 HB2 PHE 40 10.034 20.324 2.734 336 HB3 PHE 40 HB3 PHE 40 8.675 19.329 2.216 337 HD1 PHE 40 HD1 PHE 40 9.479 22.206 3.980 338 HD2 PHE 40 HD2 PHE 40 6.947 18.736 4.242 339 HE1 PHE 40 HE1 PHE 40 7.956 23.435 5.490 340 HE2 PHE 40 HE2 PHE 40 5.441 19.955 5.787 341 HZ PHE 40 HZ PHE 40 5.940 22.306 6.408 342 H ASN 41 H ASN 41 12.101 17.113 3.712 343 HA ASN 41 HA ASN 41 13.249 15.776 2.305 344 HB2 ASN 41 HB2 ASN 41 11.289 14.312 2.994 345 HB3 ASN 41 HB3 ASN 41 10.547 14.700 1.437 346 HD21 ASN 41 HD21 ASN 41 10.621 12.400 0.962 347 HD22 ASN 41 HD22 ASN 41 12.120 11.671 0.420 348 H CYS 42 H CYS 42 12.117 18.427 1.305 349 HA CYS 42 HA CYS 42 11.976 17.999 -1.606 350 HB2 CYS 42 HB2 CYS 42 11.348 20.373 -1.621 351 HB3 CYS 42 HB3 CYS 42 10.370 19.492 -0.431 352 HG CYS 42 HG CYS 42 13.046 21.380 -0.023 353 H VAL 43 H VAL 43 13.156 19.986 -2.767 354 HA VAL 43 HA VAL 43 15.885 20.423 -1.661 355 HB VAL 43 HB VAL 43 15.139 19.551 -4.485 356 HG11 VAL 43 HG11 VAL 43 17.554 19.803 -4.991 357 HG12 VAL 43 HG12 VAL 43 16.795 21.356 -4.618 358 HG13 VAL 43 HG13 VAL 43 17.803 20.541 -3.393 359 HG21 VAL 43 HG21 VAL 43 15.414 17.696 -2.884 360 HG22 VAL 43 HG22 VAL 43 16.762 17.733 -4.036 361 HG23 VAL 43 HG23 VAL 43 16.989 18.348 -2.378 362 H ILE 44 H ILE 44 16.654 22.535 -2.081 363 HA ILE 44 HA ILE 44 14.767 24.313 -3.540 364 HB ILE 44 HB ILE 44 15.939 24.816 -0.791 365 HG12 ILE 44 HG12 ILE 44 13.071 24.473 -1.743 366 HG13 ILE 44 HG13 ILE 44 14.003 23.284 -0.817 367 HG21 ILE 44 HG21 ILE 44 14.173 26.613 -2.524 368 HG22 ILE 44 HG22 ILE 44 14.728 26.973 -0.878 369 HG23 ILE 44 HG23 ILE 44 15.896 26.887 -2.189 370 HD11 ILE 44 HD11 ILE 44 13.155 26.047 0.146 371 HD12 ILE 44 HD12 ILE 44 12.538 24.479 0.694 372 HD13 ILE 44 HD13 ILE 44 14.219 24.939 1.046 373 H THR 45 H THR 45 15.663 26.037 -4.587 374 HA THR 45 HA THR 45 18.581 26.349 -4.464 375 HB THR 45 HB THR 45 17.260 26.299 -7.153 376 HG1 THR 45 HG1 THR 45 16.869 24.301 -6.281 377 HG21 THR 45 HG21 THR 45 20.111 25.884 -6.155 378 HG22 THR 45 HG22 THR 45 19.584 25.739 -7.849 379 HG23 THR 45 HG23 THR 45 19.478 27.306 -7.019 380 H VAL 46 H VAL 46 19.455 28.346 -4.852 381 HA VAL 46 HA VAL 46 17.461 30.502 -5.291 382 HB VAL 46 HB VAL 46 19.994 30.824 -3.673 383 HG11 VAL 46 HG11 VAL 46 17.456 32.478 -4.005 384 HG12 VAL 46 HG12 VAL 46 18.758 32.833 -2.859 385 HG13 VAL 46 HG13 VAL 46 19.072 32.899 -4.609 386 HG21 VAL 46 HG21 VAL 46 17.140 30.269 -2.752 387 HG22 VAL 46 HG22 VAL 46 18.553 29.202 -2.511 388 HG23 VAL 46 HG23 VAL 46 18.470 30.778 -1.698 389 H HIS 47 H HIS 47 18.078 32.332 -6.499 390 HA HIS 47 HA HIS 47 20.280 31.781 -8.416 391 HB2 HIS 47 HB2 HIS 47 17.365 32.391 -8.910 392 HB3 HIS 47 HB3 HIS 47 18.601 32.734 -10.128 393 HD1 HIS 47 HD1 HIS 47 20.147 30.501 -10.827 394 HD2 HIS 47 HD2 HIS 47 16.457 29.900 -8.888 395 HE1 HIS 47 HE1 HIS 47 19.471 28.060 -11.283 396 HE2 HIS 47 HE2 HIS 47 17.212 27.717 -10.110 397 H THR 48 H THR 48 20.977 33.352 -6.431 398 HA THR 48 HA THR 48 20.263 36.065 -6.693 399 HB THR 48 HB THR 48 21.762 36.559 -5.056 400 HG1 THR 48 HG1 THR 48 23.697 35.449 -4.779 401 HG21 THR 48 HG21 THR 48 21.880 34.717 -3.450 402 HG22 THR 48 HG22 THR 48 20.286 34.735 -4.224 403 HG23 THR 48 HG23 THR 48 21.504 33.534 -4.723 404 H GLU 49 H GLU 49 22.160 34.290 -8.871 405 HA GLU 49 HA GLU 49 23.973 36.389 -9.627 406 HB2 GLU 49 HB2 GLU 49 24.481 34.999 -11.521 407 HB3 GLU 49 HB3 GLU 49 24.441 34.018 -10.064 408 HG2 GLU 49 HG2 GLU 49 22.054 34.240 -11.955 409 HG3 GLU 49 HG3 GLU 49 23.371 33.100 -12.223 410 H VAL 50 H VAL 50 20.588 35.999 -10.117 411 HA VAL 50 HA VAL 50 20.592 37.487 -12.624 412 HB VAL 50 HB VAL 50 19.002 35.575 -11.976 413 HG11 VAL 50 HG11 VAL 50 17.501 37.943 -10.761 414 HG12 VAL 50 HG12 VAL 50 16.873 36.301 -11.014 415 HG13 VAL 50 HG13 VAL 50 18.191 36.586 -9.850 416 HG21 VAL 50 HG21 VAL 50 17.869 38.114 -13.216 417 HG22 VAL 50 HG22 VAL 50 18.889 36.925 -14.057 418 HG23 VAL 50 HG23 VAL 50 17.293 36.450 -13.451 419 H GLN 51 H GLN 51 19.137 39.362 -12.917 420 HA GLN 51 HA GLN 51 18.854 41.124 -10.574 421 HB2 GLN 51 HB2 GLN 51 21.149 41.529 -11.408 422 HB3 GLN 51 HB3 GLN 51 20.504 41.915 -13.010 423 HG2 GLN 51 HG2 GLN 51 19.263 43.829 -12.076 424 HG3 GLN 51 HG3 GLN 51 19.752 43.383 -10.444 425 HE21 GLN 51 HE21 GLN 51 20.355 45.864 -10.892 426 HE22 GLN 51 HE22 GLN 51 22.037 46.106 -11.318 427 H SER 52 H SER 52 16.644 40.477 -11.097 428 HA SER 52 HA SER 52 15.452 41.187 -13.623 429 HB2 SER 52 HB2 SER 52 13.380 40.562 -12.556 430 HB3 SER 52 HB3 SER 52 14.625 39.387 -12.084 431 HG SER 52 HG SER 52 14.750 40.332 -10.093 432 H SER 53 H SER 53 13.630 42.715 -13.833 433 HA SER 53 HA SER 53 14.291 45.334 -12.831 434 HB2 SER 53 HB2 SER 53 12.292 46.013 -14.091 435 HB3 SER 53 HB3 SER 53 13.315 44.932 -15.057 436 HG SER 53 HG SER 53 10.941 44.275 -13.650 437 H PHE 54 H PHE 54 12.648 42.697 -11.417 438 HA PHE 54 HA PHE 54 10.674 44.234 -9.925 439 HB2 PHE 54 HB2 PHE 54 11.753 41.431 -9.477 440 HB3 PHE 54 HB3 PHE 54 10.268 42.101 -8.801 441 HD1 PHE 54 HD1 PHE 54 11.558 40.039 -11.297 442 HD2 PHE 54 HD2 PHE 54 8.574 43.063 -10.687 443 HE1 PHE 54 HE1 PHE 54 10.302 39.193 -13.264 444 HE2 PHE 54 HE2 PHE 54 7.318 42.227 -12.646 445 HZ PHE 54 HZ PHE 54 8.178 40.289 -13.942 446 H GLY 55 H GLY 55 14.073 43.820 -9.729 447 HA2 GLY 55 HA2 GLY 55 15.585 44.453 -8.128 448 HA3 GLY 55 HA3 GLY 55 14.257 45.195 -7.210 449 H ALA 56 H ALA 56 14.402 41.759 -8.177 450 HA ALA 56 HA ALA 56 14.855 40.951 -5.364 451 HB1 ALA 56 HB1 ALA 56 12.393 40.255 -7.004 452 HB2 ALA 56 HB2 ALA 56 12.797 39.592 -5.405 453 HB3 ALA 56 HB3 ALA 56 12.436 41.323 -5.579 454 H THR 57 H THR 57 14.996 38.553 -5.160 455 HA THR 57 HA THR 57 16.418 37.401 -7.533 456 HB THR 57 HB THR 57 16.713 37.151 -4.515 457 HG1 THR 57 HG1 THR 57 17.952 38.706 -5.579 458 HG21 THR 57 HG21 THR 57 17.846 35.291 -6.642 459 HG22 THR 57 HG22 THR 57 18.378 35.353 -4.938 460 HG23 THR 57 HG23 THR 57 16.728 34.848 -5.330 461 HA PRO 58 HA PRO 58 12.988 34.474 -7.234 462 HB2 PRO 58 HB2 PRO 58 13.505 32.978 -9.418 463 HB3 PRO 58 HB3 PRO 58 12.987 34.689 -9.563 464 HG2 PRO 58 HG2 PRO 58 15.802 33.575 -9.718 465 HG3 PRO 58 HG3 PRO 58 15.015 34.775 -10.794 466 HD2 PRO 58 HD2 PRO 58 16.662 35.436 -8.655 467 HD3 PRO 58 HD3 PRO 58 15.366 36.506 -9.274 468 H VAL 59 H VAL 59 12.706 32.287 -6.670 469 HA VAL 59 HA VAL 59 15.114 30.650 -6.298 470 HB VAL 59 HB VAL 59 14.897 30.183 -4.107 471 HG11 VAL 59 HG11 VAL 59 13.578 32.928 -4.153 472 HG12 VAL 59 HG12 VAL 59 14.490 32.199 -2.814 473 HG13 VAL 59 HG13 VAL 59 15.326 32.630 -4.321 474 HG21 VAL 59 HG21 VAL 59 12.841 30.433 -2.764 475 HG22 VAL 59 HG22 VAL 59 11.969 30.980 -4.221 476 HG23 VAL 59 HG23 VAL 59 12.629 29.325 -4.127 477 H GLU 60 H GLU 60 14.694 28.330 -6.017 478 HA GLU 60 HA GLU 60 12.172 27.517 -7.375 479 HB2 GLU 60 HB2 GLU 60 15.029 26.786 -8.042 480 HB3 GLU 60 HB3 GLU 60 13.643 25.829 -8.606 481 HG2 GLU 60 HG2 GLU 60 12.711 27.740 -9.776 482 HG3 GLU 60 HG3 GLU 60 13.946 28.814 -9.102 483 H ILE 61 H ILE 61 11.461 25.375 -6.959 484 HA ILE 61 HA ILE 61 12.723 24.009 -4.648 485 HB ILE 61 HB ILE 61 9.773 24.691 -4.853 486 HG12 ILE 61 HG12 ILE 61 11.879 25.934 -3.052 487 HG13 ILE 61 HG13 ILE 61 11.071 26.719 -4.426 488 HG21 ILE 61 HG21 ILE 61 10.211 22.577 -3.682 489 HG22 ILE 61 HG22 ILE 61 11.369 23.387 -2.606 490 HG23 ILE 61 HG23 ILE 61 9.637 23.799 -2.553 491 HD11 ILE 61 HD11 ILE 61 8.883 26.413 -3.303 492 HD12 ILE 61 HD12 ILE 61 9.728 25.781 -1.868 493 HD13 ILE 61 HD13 ILE 61 10.002 27.452 -2.396 494 H VAL 62 H VAL 62 12.358 21.792 -4.596 495 HA VAL 62 HA VAL 62 10.632 20.590 -6.685 496 HB VAL 62 HB VAL 62 13.543 19.853 -6.190 497 HG11 VAL 62 HG11 VAL 62 11.425 18.609 -7.989 498 HG12 VAL 62 HG12 VAL 62 13.161 18.201 -8.013 499 HG13 VAL 62 HG13 VAL 62 12.185 17.848 -6.575 500 HG21 VAL 62 HG21 VAL 62 13.331 21.834 -7.617 501 HG22 VAL 62 HG22 VAL 62 13.841 20.436 -8.580 502 HG23 VAL 62 HG23 VAL 62 12.151 20.985 -8.647 503 H ALA 63 H ALA 63 9.669 18.671 -6.042 504 HA ALA 63 HA ALA 63 10.571 17.269 -3.649 505 HB1 ALA 63 HB1 ALA 63 7.851 18.633 -3.689 506 HB2 ALA 63 HB2 ALA 63 8.486 17.588 -2.401 507 HB3 ALA 63 HB3 ALA 63 9.236 19.171 -2.710 508 H GLN 64 H GLN 64 8.856 15.446 -3.173 509 HA GLN 64 HA GLN 64 8.542 13.979 -5.635 510 HB2 GLN 64 HB2 GLN 64 7.491 13.397 -2.836 511 HB3 GLN 64 HB3 GLN 64 7.576 12.257 -4.185 512 HG2 GLN 64 HG2 GLN 64 9.449 11.758 -2.869 513 HG3 GLN 64 HG3 GLN 64 10.091 12.674 -4.240 514 HE21 GLN 64 HE21 GLN 64 11.995 13.110 -2.874 515 HE22 GLN 64 HE22 GLN 64 11.910 14.375 -1.663 516 H ASN 65 H ASN 65 6.500 16.210 -3.892 517 HA ASN 65 HA ASN 65 4.299 15.818 -5.740 518 HB2 ASN 65 HB2 ASN 65 2.675 15.146 -3.946 519 HB3 ASN 65 HB3 ASN 65 3.904 13.921 -4.290 520 HD21 ASN 65 HD21 ASN 65 4.287 12.861 -2.419 521 HD22 ASN 65 HD22 ASN 65 4.679 13.650 -0.899 522 H LYS 66 H LYS 66 2.407 17.279 -5.133 523 HA LYS 66 HA LYS 66 3.388 19.901 -4.441 524 HB2 LYS 66 HB2 LYS 66 0.581 18.775 -4.812 525 HB3 LYS 66 HB3 LYS 66 0.937 20.489 -4.544 526 HG2 LYS 66 HG2 LYS 66 2.324 20.554 -6.567 527 HG3 LYS 66 HG3 LYS 66 1.990 18.831 -6.868 528 HD2 LYS 66 HD2 LYS 66 -0.426 19.301 -6.998 529 HD3 LYS 66 HD3 LYS 66 -0.134 21.014 -6.668 530 HE2 LYS 66 HE2 LYS 66 0.940 19.490 -9.083 531 HE3 LYS 66 HE3 LYS 66 -0.500 20.522 -9.087 532 HZ1 LYS 66 HZ1 LYS 66 1.391 21.713 -9.880 533 HZ2 LYS 66 HZ2 LYS 66 0.908 22.374 -8.462 534 HZ3 LYS 66 HZ3 LYS 66 2.247 21.407 -8.518 535 H GLU 67 H GLU 67 2.094 17.259 -2.564 536 HA GLU 67 HA GLU 67 0.996 18.825 -0.420 537 HB2 GLU 67 HB2 GLU 67 1.987 15.947 -0.463 538 HB3 GLU 67 HB3 GLU 67 0.958 16.662 0.784 539 HG2 GLU 67 HG2 GLU 67 0.215 16.353 -2.156 540 HG3 GLU 67 HG3 GLU 67 -0.312 15.296 -0.845 541 H GLN 68 H GLN 68 4.204 18.446 -1.380 542 HA GLN 68 HA GLN 68 5.143 19.212 1.345 543 HB2 GLN 68 HB2 GLN 68 6.501 17.343 -0.626 544 HB3 GLN 68 HB3 GLN 68 7.225 17.935 0.876 545 HG2 GLN 68 HG2 GLN 68 5.653 16.738 2.223 546 HG3 GLN 68 HG3 GLN 68 4.592 16.403 0.840 547 HE21 GLN 68 HE21 GLN 68 8.179 16.074 0.984 548 HE22 GLN 68 HE22 GLN 68 8.167 14.354 0.647 549 H CYS 69 H CYS 69 5.209 19.704 -2.155 550 HA CYS 69 HA CYS 69 7.578 21.381 -2.111 551 HB2 CYS 69 HB2 CYS 69 6.507 20.080 -4.108 552 HB3 CYS 69 HB3 CYS 69 5.356 21.422 -4.190 553 HG CYS 69 HG CYS 69 7.208 21.769 -5.993 554 H GLN 70 H GLN 70 4.020 21.897 -1.974 555 HA GLN 70 HA GLN 70 4.184 24.780 -2.060 556 HB2 GLN 70 HB2 GLN 70 2.036 22.924 -0.953 557 HB3 GLN 70 HB3 GLN 70 1.829 24.651 -1.259 558 HG2 GLN 70 HG2 GLN 70 2.532 22.591 -3.401 559 HG3 GLN 70 HG3 GLN 70 0.892 23.128 -3.037 560 HE21 GLN 70 HE21 GLN 70 1.602 23.432 -5.563 561 HE22 GLN 70 HE22 GLN 70 1.966 25.098 -5.956 562 H GLU 71 H GLU 71 4.234 22.332 0.536 563 HA GLU 71 HA GLU 71 3.964 24.261 2.667 564 HB2 GLU 71 HB2 GLU 71 5.196 21.477 2.688 565 HB3 GLU 71 HB3 GLU 71 4.636 22.388 4.104 566 HG2 GLU 71 HG2 GLU 71 2.883 21.404 1.811 567 HG3 GLU 71 HG3 GLU 71 3.023 20.650 3.402 568 H ALA 72 H ALA 72 6.680 22.945 0.784 569 HA ALA 72 HA ALA 72 8.710 24.086 2.521 570 HB1 ALA 72 HB1 ALA 72 8.824 23.042 -0.339 571 HB2 ALA 72 HB2 ALA 72 10.228 23.410 0.694 572 HB3 ALA 72 HB3 ALA 72 9.115 22.092 1.140 573 H ARG 73 H ARG 73 6.732 25.236 -0.156 574 HA ARG 73 HA ARG 73 8.417 27.553 -0.739 575 HB2 ARG 73 HB2 ARG 73 6.857 26.544 -2.429 576 HB3 ARG 73 HB3 ARG 73 5.500 26.951 -1.372 577 HG2 ARG 73 HG2 ARG 73 6.371 29.405 -1.508 578 HG3 ARG 73 HG3 ARG 73 7.320 28.833 -2.898 579 HD2 ARG 73 HD2 ARG 73 5.193 28.012 -3.939 580 HD3 ARG 73 HD3 ARG 73 4.306 28.594 -2.523 581 HE ARG 73 HE ARG 73 5.479 30.226 -4.689 582 HH11 ARG 73 HH11 ARG 73 4.003 30.105 -1.508 583 HH12 ARG 73 HH12 ARG 73 3.427 31.759 -1.549 584 HH21 ARG 73 HH21 ARG 73 4.738 32.420 -4.747 585 HH22 ARG 73 HH22 ARG 73 3.852 33.060 -3.386 586 H ASN 74 H ASN 74 5.348 26.920 1.002 587 HA ASN 74 HA ASN 74 5.030 29.664 1.795 588 HB2 ASN 74 HB2 ASN 74 3.689 27.073 2.636 589 HB3 ASN 74 HB3 ASN 74 3.176 28.679 3.194 590 HD21 ASN 74 HD21 ASN 74 1.982 26.494 1.300 591 HD22 ASN 74 HD22 ASN 74 1.445 27.452 -0.065 592 H ALA 75 H ALA 75 6.934 27.055 3.044 593 HA ALA 75 HA ALA 75 7.169 28.132 5.726 594 HB1 ALA 75 HB1 ALA 75 8.874 26.164 4.143 595 HB2 ALA 75 HB2 ALA 75 9.052 26.509 5.876 596 HB3 ALA 75 HB3 ALA 75 7.559 25.758 5.277 597 H VAL 76 H VAL 76 8.135 29.359 2.763 598 HA VAL 76 HA VAL 76 10.478 30.720 3.977 599 HB VAL 76 HB VAL 76 10.053 30.024 1.050 600 HG11 VAL 76 HG11 VAL 76 12.485 30.614 0.874 601 HG12 VAL 76 HG12 VAL 76 11.464 32.010 1.248 602 HG13 VAL 76 HG13 VAL 76 12.424 31.238 2.536 603 HG21 VAL 76 HG21 VAL 76 11.923 28.826 3.129 604 HG22 VAL 76 HG22 VAL 76 10.491 28.026 2.438 605 HG23 VAL 76 HG23 VAL 76 11.874 28.406 1.401 606 H MET 77 H MET 77 7.286 31.175 3.054 607 HA MET 77 HA MET 77 7.710 33.824 1.896 608 HB2 MET 77 HB2 MET 77 5.203 32.303 2.733 609 HB3 MET 77 HB3 MET 77 5.178 33.892 1.959 610 HG2 MET 77 HG2 MET 77 6.366 31.375 0.720 611 HG3 MET 77 HG3 MET 77 4.773 32.020 0.389 612 HE1 MET 77 HE1 MET 77 8.726 33.304 -1.449 613 HE2 MET 77 HE2 MET 77 8.627 32.876 0.272 614 HE3 MET 77 HE3 MET 77 8.150 31.684 -0.959 615 H SER 78 H SER 78 7.553 32.615 5.113 616 HA SER 78 HA SER 78 7.599 35.368 6.084 617 HB2 SER 78 HB2 SER 78 5.181 35.013 5.904 618 HB3 SER 78 HB3 SER 78 5.310 33.508 6.833 619 HG SER 78 HG SER 78 5.905 34.678 8.621 620 H LEU 79 H LEU 79 7.538 31.857 6.844 621 HA LEU 79 HA LEU 79 8.644 32.319 9.516 622 HB2 LEU 79 HB2 LEU 79 8.375 29.743 7.919 623 HB3 LEU 79 HB3 LEU 79 8.674 29.881 9.657 624 HG LEU 79 HG LEU 79 6.152 30.797 8.196 625 HD11 LEU 79 HD11 LEU 79 6.644 28.496 10.130 626 HD12 LEU 79 HD12 LEU 79 5.084 28.934 9.398 627 HD13 LEU 79 HD13 LEU 79 6.406 28.335 8.372 628 HD21 LEU 79 HD21 LEU 79 6.849 30.767 11.167 629 HD22 LEU 79 HD22 LEU 79 6.617 32.214 10.152 630 HD23 LEU 79 HD23 LEU 79 5.252 31.136 10.493 631 H MET 80 H MET 80 9.777 31.105 6.387 632 HA MET 80 HA MET 80 11.763 30.753 5.451 633 HB2 MET 80 HB2 MET 80 12.741 32.975 7.265 634 HB3 MET 80 HB3 MET 80 13.468 32.432 5.743 635 HG2 MET 80 HG2 MET 80 11.212 32.917 4.640 636 HG3 MET 80 HG3 MET 80 10.744 33.724 6.135 637 HE1 MET 80 HE1 MET 80 12.592 33.861 2.804 638 HE2 MET 80 HE2 MET 80 13.887 35.058 3.049 639 HE3 MET 80 HE3 MET 80 13.962 33.493 3.880 640 H GLN 81 H GLN 81 11.355 29.814 8.595 641 HA GLN 81 HA GLN 81 12.449 28.470 10.021 642 HB2 GLN 81 HB2 GLN 81 13.602 27.325 7.453 643 HB3 GLN 81 HB3 GLN 81 13.507 26.495 9.009 644 HG2 GLN 81 HG2 GLN 81 11.133 27.496 7.370 645 HG3 GLN 81 HG3 GLN 81 11.670 25.820 7.483 646 HE21 GLN 81 HE21 GLN 81 9.035 26.758 8.133 647 HE22 GLN 81 HE22 GLN 81 8.789 26.465 9.844 648 H SER 82 H SER 82 13.833 31.007 9.379 649 HA SER 82 HA SER 82 16.651 30.501 9.178 650 HB2 SER 82 HB2 SER 82 16.834 32.930 9.457 651 HB3 SER 82 HB3 SER 82 15.577 32.506 8.277 652 HG SER 82 HG SER 82 15.216 33.270 10.987 653 H HIS 83 H HIS 83 14.799 29.716 11.732 654 HA HIS 83 HA HIS 83 16.065 30.945 13.973 655 HB2 HIS 83 HB2 HIS 83 15.143 28.900 15.170 656 HB3 HIS 83 HB3 HIS 83 13.987 29.906 14.297 657 HD1 HIS 83 HD1 HIS 83 16.143 26.885 13.028 658 HD2 HIS 83 HD2 HIS 83 12.215 28.401 13.233 659 HE1 HIS 83 HE1 HIS 83 14.659 25.199 11.812 660 HE2 HIS 83 HE2 HIS 83 12.269 26.137 11.906 661 H GLN 84 H GLN 84 17.481 29.883 15.552 662 HA GLN 84 HA GLN 84 19.827 28.801 14.283 663 HB2 GLN 84 HB2 GLN 84 19.087 29.075 17.224 664 HB3 GLN 84 HB3 GLN 84 20.707 28.718 16.598 665 HG2 GLN 84 HG2 GLN 84 19.103 31.262 16.110 666 HG3 GLN 84 HG3 GLN 84 20.530 31.077 17.148 667 HE21 GLN 84 HE21 GLN 84 22.164 29.446 15.446 668 HE22 GLN 84 HE22 GLN 84 22.618 30.420 14.063 669 H ASP 85 H ASP 85 16.941 27.316 15.286 670 HA ASP 85 HA ASP 85 18.062 24.798 16.135 671 HB2 ASP 85 HB2 ASP 85 15.938 25.441 16.991 672 HB3 ASP 85 HB3 ASP 85 15.275 25.658 15.367 673 H LYS 86 H LYS 86 19.599 24.741 14.323 674 HA LYS 86 HA LYS 86 18.789 24.138 11.651 675 HB2 LYS 86 HB2 LYS 86 21.019 24.949 12.211 676 HB3 LYS 86 HB3 LYS 86 21.330 23.499 13.189 677 HG2 LYS 86 HG2 LYS 86 21.114 22.082 11.154 678 HG3 LYS 86 HG3 LYS 86 20.816 23.548 10.184 679 HD2 LYS 86 HD2 LYS 86 23.027 24.428 10.831 680 HD3 LYS 86 HD3 LYS 86 23.318 22.974 11.821 681 HE2 LYS 86 HE2 LYS 86 23.115 21.560 9.799 682 HE3 LYS 86 HE3 LYS 86 22.829 23.005 8.811 683 HZ1 LYS 86 HZ1 LYS 86 25.015 23.778 9.433 684 HZ2 LYS 86 HZ2 LYS 86 25.269 22.442 10.364 685 HZ3 LYS 86 HZ3 LYS 86 25.122 22.297 8.733 Start of MODEL 5 1 H1 SER 1 H SER 1 24.053 7.141 -12.984 2 HA SER 1 HA SER 1 22.671 5.721 -14.330 3 HB2 SER 1 HB2 SER 1 24.128 4.701 -12.630 4 HB3 SER 1 HB3 SER 1 22.848 4.890 -11.414 5 HG SER 1 HG SER 1 22.885 2.804 -12.363 6 H GLY 2 H GLY 2 20.699 4.454 -14.493 7 HA2 GLY 2 HA2 GLY 2 18.447 4.767 -12.809 8 HA3 GLY 2 HA3 GLY 2 18.356 5.997 -14.084 9 H SER 3 H SER 3 16.321 4.403 -14.227 10 HA SER 3 HA SER 3 16.758 2.819 -16.643 11 HB2 SER 3 HB2 SER 3 17.311 1.164 -14.923 12 HB3 SER 3 HB3 SER 3 15.807 1.536 -14.056 13 HG SER 3 HG SER 3 16.086 0.368 -16.621 14 H HIS 4 H HIS 4 14.736 2.191 -17.661 15 HA HIS 4 HA HIS 4 12.665 4.162 -17.305 16 HB2 HIS 4 HB2 HIS 4 11.570 2.920 -19.150 17 HB3 HIS 4 HB3 HIS 4 13.247 3.329 -19.502 18 HD1 HIS 4 HD1 HIS 4 11.411 0.186 -18.074 19 HD2 HIS 4 HD2 HIS 4 14.605 1.398 -20.541 20 HE1 HIS 4 HE1 HIS 4 12.462 -1.963 -19.023 21 HE2 HIS 4 HE2 HIS 4 14.390 -1.209 -20.535 22 H MET 5 H MET 5 13.316 1.369 -15.538 23 HA MET 5 HA MET 5 10.616 0.387 -15.207 24 HB2 MET 5 HB2 MET 5 13.135 -0.027 -13.553 25 HB3 MET 5 HB3 MET 5 11.616 -0.923 -13.357 26 HG2 MET 5 HG2 MET 5 11.783 -1.647 -15.736 27 HG3 MET 5 HG3 MET 5 13.373 -0.882 -15.837 28 HE1 MET 5 HE1 MET 5 15.505 -1.672 -14.505 29 HE2 MET 5 HE2 MET 5 14.625 -1.546 -12.961 30 HE3 MET 5 HE3 MET 5 15.518 -3.027 -13.354 31 H LYS 6 H LYS 6 11.944 3.298 -14.240 32 HA LYS 6 HA LYS 6 9.846 3.650 -12.223 33 HB2 LYS 6 HB2 LYS 6 11.741 2.808 -10.912 34 HB3 LYS 6 HB3 LYS 6 12.794 4.063 -11.592 35 HG2 LYS 6 HG2 LYS 6 11.408 5.821 -10.562 36 HG3 LYS 6 HG3 LYS 6 10.306 4.588 -9.912 37 HD2 LYS 6 HD2 LYS 6 13.265 4.870 -9.231 38 HD3 LYS 6 HD3 LYS 6 11.918 5.419 -8.221 39 HE2 LYS 6 HE2 LYS 6 11.081 3.083 -8.085 40 HE3 LYS 6 HE3 LYS 6 12.462 2.543 -9.053 41 HZ1 LYS 6 HZ1 LYS 6 12.641 3.867 -6.431 42 HZ2 LYS 6 HZ2 LYS 6 12.850 2.264 -6.714 43 HZ3 LYS 6 HZ3 LYS 6 13.917 3.352 -7.336 44 H THR 7 H THR 7 9.298 5.865 -11.897 45 HA THR 7 HA THR 7 9.824 7.487 -14.183 46 HB THR 7 HB THR 7 8.180 8.893 -13.515 47 HG1 THR 7 HG1 THR 7 7.620 9.174 -11.327 48 HG21 THR 7 HG21 THR 7 7.270 6.562 -13.675 49 HG22 THR 7 HG22 THR 7 7.473 6.397 -11.910 50 HG23 THR 7 HG23 THR 7 6.344 7.604 -12.577 51 H CYS 8 H CYS 8 10.404 9.770 -14.154 52 HA CYS 8 HA CYS 8 12.474 10.434 -12.122 53 HB2 CYS 8 HB2 CYS 8 12.672 10.732 -15.139 54 HB3 CYS 8 HB3 CYS 8 13.796 11.479 -13.989 55 HG CYS 8 HG CYS 8 14.671 9.371 -12.895 56 H VAL 9 H VAL 9 9.504 11.207 -13.141 57 HA VAL 9 HA VAL 9 9.753 14.043 -13.586 58 HB VAL 9 HB VAL 9 7.932 12.616 -14.497 59 HG11 VAL 9 HG11 VAL 9 7.501 11.230 -12.477 60 HG12 VAL 9 HG12 VAL 9 6.871 12.667 -11.637 61 HG13 VAL 9 HG13 VAL 9 6.033 12.021 -13.066 62 HG21 VAL 9 HG21 VAL 9 7.723 15.078 -14.324 63 HG22 VAL 9 HG22 VAL 9 6.157 14.249 -14.172 64 HG23 VAL 9 HG23 VAL 9 6.963 14.890 -12.724 65 H VAL 10 H VAL 10 9.175 15.754 -12.232 66 HA VAL 10 HA VAL 10 8.733 15.212 -9.369 67 HB VAL 10 HB VAL 10 10.541 16.607 -8.632 68 HG11 VAL 10 HG11 VAL 10 12.489 15.273 -9.231 69 HG12 VAL 10 HG12 VAL 10 11.082 14.215 -9.005 70 HG13 VAL 10 HG13 VAL 10 11.648 14.608 -10.648 71 HG21 VAL 10 HG21 VAL 10 10.652 18.205 -10.478 72 HG22 VAL 10 HG22 VAL 10 12.248 17.483 -10.207 73 HG23 VAL 10 HG23 VAL 10 11.256 16.940 -11.576 74 H GLU 11 H GLU 11 7.960 17.035 -8.198 75 HA GLU 11 HA GLU 11 6.513 18.972 -9.873 76 HB2 GLU 11 HB2 GLU 11 6.554 18.379 -6.894 77 HB3 GLU 11 HB3 GLU 11 5.613 19.701 -7.591 78 HG2 GLU 11 HG2 GLU 11 5.352 16.772 -8.370 79 HG3 GLU 11 HG3 GLU 11 4.282 17.624 -7.249 80 H LYS 12 H LYS 12 6.660 21.244 -9.602 81 HA LYS 12 HA LYS 12 9.038 22.255 -8.177 82 HB2 LYS 12 HB2 LYS 12 8.549 22.661 -11.154 83 HB3 LYS 12 HB3 LYS 12 9.640 23.659 -10.168 84 HG2 LYS 12 HG2 LYS 12 10.834 21.544 -9.492 85 HG3 LYS 12 HG3 LYS 12 9.878 20.681 -10.719 86 HD2 LYS 12 HD2 LYS 12 12.004 21.246 -11.699 87 HD3 LYS 12 HD3 LYS 12 10.793 22.320 -12.431 88 HE2 LYS 12 HE2 LYS 12 11.435 24.124 -10.866 89 HE3 LYS 12 HE3 LYS 12 12.574 23.028 -10.063 90 HZ1 LYS 12 HZ1 LYS 12 13.789 22.897 -12.139 91 HZ2 LYS 12 HZ2 LYS 12 12.743 23.940 -12.861 92 HZ3 LYS 12 HZ3 LYS 12 13.690 24.449 -11.617 93 H ILE 13 H ILE 13 9.103 24.449 -7.813 94 HA ILE 13 HA ILE 13 6.720 26.095 -8.376 95 HB ILE 13 HB ILE 13 7.817 25.414 -5.622 96 HG12 ILE 13 HG12 ILE 13 5.009 25.344 -6.819 97 HG13 ILE 13 HG13 ILE 13 6.042 23.937 -6.500 98 HG21 ILE 13 HG21 ILE 13 6.374 27.184 -4.706 99 HG22 ILE 13 HG22 ILE 13 7.614 27.861 -5.756 100 HG23 ILE 13 HG23 ILE 13 5.941 27.690 -6.360 101 HD11 ILE 13 HD11 ILE 13 4.802 25.803 -4.449 102 HD12 ILE 13 HD12 ILE 13 4.492 24.071 -4.693 103 HD13 ILE 13 HD13 ILE 13 6.066 24.613 -4.060 104 H LYS 14 H LYS 14 7.215 28.362 -8.275 105 HA LYS 14 HA LYS 14 10.049 29.077 -7.829 106 HB2 LYS 14 HB2 LYS 14 9.886 28.567 -10.223 107 HB3 LYS 14 HB3 LYS 14 8.500 29.666 -10.377 108 HG2 LYS 14 HG2 LYS 14 9.929 31.578 -9.715 109 HG3 LYS 14 HG3 LYS 14 11.312 30.476 -9.526 110 HD2 LYS 14 HD2 LYS 14 11.135 29.868 -11.932 111 HD3 LYS 14 HD3 LYS 14 9.763 30.987 -12.102 112 HE2 LYS 14 HE2 LYS 14 11.212 32.868 -11.399 113 HE3 LYS 14 HE3 LYS 14 12.580 31.744 -11.240 114 HZ1 LYS 14 HZ1 LYS 14 12.401 31.287 -13.586 115 HZ2 LYS 14 HZ2 LYS 14 11.129 32.312 -13.742 116 HZ3 LYS 14 HZ3 LYS 14 12.608 32.902 -13.339 117 H GLN 15 H GLN 15 10.340 31.151 -7.063 118 HA GLN 15 HA GLN 15 8.204 33.115 -7.169 119 HB2 GLN 15 HB2 GLN 15 7.379 31.695 -5.360 120 HB3 GLN 15 HB3 GLN 15 8.937 31.790 -4.530 121 HG2 GLN 15 HG2 GLN 15 7.217 33.306 -3.550 122 HG3 GLN 15 HG3 GLN 15 8.646 34.166 -4.120 123 HE21 GLN 15 HE21 GLN 15 7.809 36.152 -4.671 124 HE22 GLN 15 HE22 GLN 15 6.541 36.383 -5.860 125 H TRP 16 H TRP 16 8.891 35.196 -6.357 126 HA TRP 16 HA TRP 16 11.842 35.501 -6.280 127 HB2 TRP 16 HB2 TRP 16 9.615 37.537 -6.646 128 HB3 TRP 16 HB3 TRP 16 11.351 37.836 -6.809 129 HD1 TRP 16 HD1 TRP 16 8.473 35.977 -8.537 130 HE1 TRP 16 HE1 TRP 16 9.053 35.550 -10.985 131 HE3 TRP 16 HE3 TRP 16 13.262 37.776 -8.551 132 HZ2 TRP 16 HZ2 TRP 16 11.314 35.958 -12.750 133 HZ3 TRP 16 HZ3 TRP 16 14.590 37.760 -10.622 134 HH2 TRP 16 HH2 TRP 16 13.636 36.845 -12.734 135 H ILE 17 H ILE 17 12.863 36.591 -4.595 136 HA ILE 17 HA ILE 17 11.171 37.481 -2.321 137 HB ILE 17 HB ILE 17 13.253 36.772 -0.908 138 HG12 ILE 17 HG12 ILE 17 13.398 34.709 -3.159 139 HG13 ILE 17 HG13 ILE 17 14.578 36.014 -2.917 140 HG21 ILE 17 HG21 ILE 17 11.271 34.698 -1.922 141 HG22 ILE 17 HG22 ILE 17 12.123 34.685 -0.362 142 HG23 ILE 17 HG23 ILE 17 10.921 35.938 -0.697 143 HD11 ILE 17 HD11 ILE 17 13.960 33.775 -0.944 144 HD12 ILE 17 HD12 ILE 17 15.429 33.972 -1.917 145 HD13 ILE 17 HD13 ILE 17 15.057 35.144 -0.634 146 HA PRO 18 HA PRO 18 13.416 41.206 -2.942 147 HB2 PRO 18 HB2 PRO 18 13.251 42.396 -0.480 148 HB3 PRO 18 HB3 PRO 18 11.838 42.210 -1.574 149 HG2 PRO 18 HG2 PRO 18 12.665 40.400 0.714 150 HG3 PRO 18 HG3 PRO 18 11.044 41.115 0.408 151 HD2 PRO 18 HD2 PRO 18 11.642 38.588 -0.364 152 HD3 PRO 18 HD3 PRO 18 10.667 39.657 -1.432 153 H THR 19 H THR 19 15.470 42.183 -2.521 154 HA THR 19 HA THR 19 17.419 40.302 -1.788 155 HB THR 19 HB THR 19 18.197 43.169 -1.901 156 HG1 THR 19 HG1 THR 19 17.967 43.065 -4.151 157 HG21 THR 19 HG21 THR 19 19.900 41.369 -1.740 158 HG22 THR 19 HG22 THR 19 19.217 40.599 -3.193 159 HG23 THR 19 HG23 THR 19 19.988 42.199 -3.304 160 H THR 20 H THR 20 15.602 42.239 0.267 161 HA THR 20 HA THR 20 17.620 42.287 2.363 162 HB THR 20 HB THR 20 16.290 43.678 3.577 163 HG1 THR 20 HG1 THR 20 14.049 43.791 3.280 164 HG21 THR 20 HG21 THR 20 15.307 44.196 0.732 165 HG22 THR 20 HG22 THR 20 15.400 45.372 2.058 166 HG23 THR 20 HG23 THR 20 16.891 44.712 1.361 167 H GLU 21 H GLU 21 15.449 39.951 1.292 168 HA GLU 21 HA GLU 21 15.415 38.690 3.997 169 HB2 GLU 21 HB2 GLU 21 13.486 38.402 1.665 170 HB3 GLU 21 HB3 GLU 21 13.418 37.433 3.139 171 HG2 GLU 21 HG2 GLU 21 13.138 40.459 2.975 172 HG3 GLU 21 HG3 GLU 21 11.820 39.301 3.191 173 H VAL 22 H VAL 22 16.515 38.340 0.683 174 HA VAL 22 HA VAL 22 16.844 35.503 0.786 175 HB VAL 22 HB VAL 22 16.872 36.940 -1.268 176 HG11 VAL 22 HG11 VAL 22 19.771 37.463 -0.469 177 HG12 VAL 22 HG12 VAL 22 18.964 37.965 -1.972 178 HG13 VAL 22 HG13 VAL 22 18.463 38.668 -0.417 179 HG21 VAL 22 HG21 VAL 22 19.269 35.110 -0.898 180 HG22 VAL 22 HG22 VAL 22 17.610 34.569 -1.238 181 HG23 VAL 22 HG23 VAL 22 18.489 35.543 -2.438 182 H GLY 23 H GLY 23 18.607 38.158 2.162 183 HA2 GLY 23 HA2 GLY 23 21.087 36.779 2.675 184 HA3 GLY 23 HA3 GLY 23 20.509 38.267 3.448 185 H LYS 24 H LYS 24 17.921 36.526 4.111 186 HA LYS 24 HA LYS 24 19.002 35.539 6.679 187 HB2 LYS 24 HB2 LYS 24 16.214 36.032 5.602 188 HB3 LYS 24 HB3 LYS 24 16.493 35.083 7.067 189 HG2 LYS 24 HG2 LYS 24 16.004 37.373 7.654 190 HG3 LYS 24 HG3 LYS 24 17.660 36.961 8.124 191 HD2 LYS 24 HD2 LYS 24 18.564 38.215 6.245 192 HD3 LYS 24 HD3 LYS 24 16.927 38.464 5.578 193 HE2 LYS 24 HE2 LYS 24 16.315 39.730 7.619 194 HE3 LYS 24 HE3 LYS 24 17.947 39.489 8.261 195 HZ1 LYS 24 HZ1 LYS 24 18.799 40.716 6.381 196 HZ2 LYS 24 HZ2 LYS 24 17.278 40.918 5.783 197 HZ3 LYS 24 HZ3 LYS 24 17.704 41.623 7.204 198 H ILE 25 H ILE 25 18.228 34.312 3.570 199 HA ILE 25 HA ILE 25 17.724 31.580 4.612 200 HB ILE 25 HB ILE 25 17.594 32.730 1.812 201 HG12 ILE 25 HG12 ILE 25 15.274 31.992 3.641 202 HG13 ILE 25 HG13 ILE 25 15.891 33.641 3.449 203 HG21 ILE 25 HG21 ILE 25 18.041 30.312 1.793 204 HG22 ILE 25 HG22 ILE 25 16.667 30.039 2.897 205 HG23 ILE 25 HG23 ILE 25 16.399 30.631 1.243 206 HD11 ILE 25 HD11 ILE 25 14.011 33.354 1.963 207 HD12 ILE 25 HD12 ILE 25 15.506 33.519 1.009 208 HD13 ILE 25 HD13 ILE 25 14.750 31.923 1.221 209 H LEU 26 H LEU 26 20.147 33.540 2.944 210 HA LEU 26 HA LEU 26 21.815 31.101 2.517 211 HB2 LEU 26 HB2 LEU 26 21.893 33.703 0.968 212 HB3 LEU 26 HB3 LEU 26 22.736 32.200 0.569 213 HG LEU 26 HG LEU 26 19.703 32.579 0.582 214 HD11 LEU 26 HD11 LEU 26 19.911 32.512 -1.851 215 HD12 LEU 26 HD12 LEU 26 20.911 33.825 -1.210 216 HD13 LEU 26 HD13 LEU 26 21.675 32.304 -1.723 217 HD21 LEU 26 HD21 LEU 26 19.702 30.374 -0.552 218 HD22 LEU 26 HD22 LEU 26 21.466 30.259 -0.333 219 HD23 LEU 26 HD23 LEU 26 20.387 30.257 1.085 220 H GLY 27 H GLY 27 21.591 33.955 4.358 221 HA2 GLY 27 HA2 GLY 27 24.370 34.759 4.281 222 HA3 GLY 27 HA3 GLY 27 23.133 35.321 5.413 223 H ASN 28 H ASN 28 22.860 32.105 5.750 224 HA ASN 28 HA ASN 28 24.981 31.935 7.839 225 HB2 ASN 28 HB2 ASN 28 22.613 32.181 8.679 226 HB3 ASN 28 HB3 ASN 28 22.220 30.658 7.862 227 HD21 ASN 28 HD21 ASN 28 21.608 29.992 10.097 228 HD22 ASN 28 HD22 ASN 28 22.869 29.375 11.149 229 H ARG 29 H ARG 29 25.786 31.255 5.383 230 HA ARG 29 HA ARG 29 26.507 29.626 3.988 231 HB2 ARG 29 HB2 ARG 29 26.471 27.941 6.512 232 HB3 ARG 29 HB3 ARG 29 27.361 27.570 5.015 233 HG2 ARG 29 HG2 ARG 29 28.645 29.682 5.265 234 HG3 ARG 29 HG3 ARG 29 27.771 30.039 6.765 235 HD2 ARG 29 HD2 ARG 29 29.929 29.051 7.316 236 HD3 ARG 29 HD3 ARG 29 28.630 27.943 7.775 237 HE ARG 29 HE ARG 29 29.311 26.433 6.122 238 HH11 ARG 29 HH11 ARG 29 31.103 29.465 5.809 239 HH12 ARG 29 HH12 ARG 29 32.270 28.795 4.696 240 HH21 ARG 29 HH21 ARG 29 30.845 25.584 4.682 241 HH22 ARG 29 HH22 ARG 29 32.120 26.602 4.049 242 H ALA 30 H ALA 30 23.673 30.024 4.210 243 HA ALA 30 HA ALA 30 21.687 29.187 3.646 244 HB1 ALA 30 HB1 ALA 30 21.611 27.613 1.780 245 HB2 ALA 30 HB2 ALA 30 22.854 28.858 1.529 246 HB3 ALA 30 HB3 ALA 30 23.330 27.215 2.028 247 H ALA 31 H ALA 31 23.124 27.922 6.057 248 HA ALA 31 HA ALA 31 22.289 25.211 6.252 249 HB1 ALA 31 HB1 ALA 31 22.595 25.578 8.682 250 HB2 ALA 31 HB2 ALA 31 23.940 26.277 7.752 251 HB3 ALA 31 HB3 ALA 31 22.666 27.330 8.411 252 H VAL 32 H VAL 32 20.522 28.246 6.500 253 HA VAL 32 HA VAL 32 18.222 27.167 7.894 254 HB VAL 32 HB VAL 32 18.573 29.610 6.110 255 HG11 VAL 32 HG11 VAL 32 16.335 28.872 8.040 256 HG12 VAL 32 HG12 VAL 32 16.513 30.435 7.209 257 HG13 VAL 32 HG13 VAL 32 16.202 28.969 6.270 258 HG21 VAL 32 HG21 VAL 32 18.587 29.288 9.141 259 HG22 VAL 32 HG22 VAL 32 19.997 29.667 8.122 260 HG23 VAL 32 HG23 VAL 32 18.674 30.834 8.262 261 H LYS 33 H LYS 33 19.162 27.636 4.457 262 HA LYS 33 HA LYS 33 16.654 26.729 3.376 263 HB2 LYS 33 HB2 LYS 33 18.351 28.103 2.150 264 HB3 LYS 33 HB3 LYS 33 19.444 26.708 2.153 265 HG2 LYS 33 HG2 LYS 33 17.731 25.396 0.886 266 HG3 LYS 33 HG3 LYS 33 16.672 26.818 0.894 267 HD2 LYS 33 HD2 LYS 33 17.776 26.827 -1.235 268 HD3 LYS 33 HD3 LYS 33 18.531 28.098 -0.266 269 HE2 LYS 33 HE2 LYS 33 20.283 26.884 -1.396 270 HE3 LYS 33 HE3 LYS 33 20.367 26.466 0.321 271 HZ1 LYS 33 HZ1 LYS 33 19.149 24.426 -0.213 272 HZ2 LYS 33 HZ2 LYS 33 19.113 24.838 -1.791 273 HZ3 LYS 33 HZ3 LYS 33 20.550 24.520 -1.059 274 H LYS 34 H LYS 34 19.753 25.177 4.170 275 HA LYS 34 HA LYS 34 19.149 22.613 3.051 276 HB2 LYS 34 HB2 LYS 34 21.125 23.542 5.166 277 HB3 LYS 34 HB3 LYS 34 21.125 21.908 4.470 278 HG2 LYS 34 HG2 LYS 34 21.642 22.712 2.281 279 HG3 LYS 34 HG3 LYS 34 21.297 24.394 2.729 280 HD2 LYS 34 HD2 LYS 34 23.197 24.383 4.316 281 HD3 LYS 34 HD3 LYS 34 23.584 22.713 3.846 282 HE2 LYS 34 HE2 LYS 34 24.000 23.410 1.548 283 HE3 LYS 34 HE3 LYS 34 23.454 25.057 1.906 284 HZ1 LYS 34 HZ1 LYS 34 25.792 23.757 3.132 285 HZ2 LYS 34 HZ2 LYS 34 25.852 24.861 1.915 286 HZ3 LYS 34 HZ3 LYS 34 25.298 25.309 3.390 287 H HIS 35 H HIS 35 18.214 24.103 6.111 288 HA HIS 35 HA HIS 35 17.647 21.514 7.357 289 HB2 HIS 35 HB2 HIS 35 18.323 23.553 8.626 290 HB3 HIS 35 HB3 HIS 35 16.784 24.313 8.183 291 HD1 HIS 35 HD1 HIS 35 18.096 21.261 10.195 292 HD2 HIS 35 HD2 HIS 35 14.696 23.690 9.667 293 HE1 HIS 35 HE1 HIS 35 16.442 20.609 12.049 294 HE2 HIS 35 HE2 HIS 35 14.384 22.107 11.729 295 H ILE 36 H ILE 36 15.894 23.942 5.433 296 HA ILE 36 HA ILE 36 13.285 22.823 6.006 297 HB ILE 36 HB ILE 36 14.327 24.689 3.848 298 HG12 ILE 36 HG12 ILE 36 12.618 25.141 6.340 299 HG13 ILE 36 HG13 ILE 36 14.354 25.462 6.228 300 HG21 ILE 36 HG21 ILE 36 11.952 25.185 3.350 301 HG22 ILE 36 HG22 ILE 36 12.333 23.494 2.998 302 HG23 ILE 36 HG23 ILE 36 11.445 23.908 4.482 303 HD11 ILE 36 HD11 ILE 36 12.153 26.841 4.646 304 HD12 ILE 36 HD12 ILE 36 13.186 27.550 5.903 305 HD13 ILE 36 HD13 ILE 36 13.902 27.063 4.353 306 H GLU 37 H GLU 37 15.857 22.179 3.652 307 HA GLU 37 HA GLU 37 14.334 20.431 1.959 308 HB2 GLU 37 HB2 GLU 37 17.296 20.575 2.644 309 HB3 GLU 37 HB3 GLU 37 16.619 19.575 1.350 310 HG2 GLU 37 HG2 GLU 37 15.710 21.579 0.239 311 HG3 GLU 37 HG3 GLU 37 16.321 22.605 1.538 312 H ARG 38 H ARG 38 15.893 20.085 5.109 313 HA ARG 38 HA ARG 38 15.616 17.167 5.170 314 HB2 ARG 38 HB2 ARG 38 17.561 18.151 6.179 315 HB3 ARG 38 HB3 ARG 38 16.587 19.310 7.092 316 HG2 ARG 38 HG2 ARG 38 15.687 17.583 8.508 317 HG3 ARG 38 HG3 ARG 38 16.447 16.305 7.509 318 HD2 ARG 38 HD2 ARG 38 18.685 17.210 8.105 319 HD3 ARG 38 HD3 ARG 38 17.916 18.460 9.089 320 HE ARG 38 HE ARG 38 17.332 16.868 10.716 321 HH11 ARG 38 HH11 ARG 38 18.968 15.350 7.969 322 HH12 ARG 38 HH12 ARG 38 19.290 13.864 8.828 323 HH21 ARG 38 HH21 ARG 38 17.775 14.914 11.817 324 HH22 ARG 38 HH22 ARG 38 18.610 13.617 10.998 325 H GLN 39 H GLN 39 13.718 19.960 5.929 326 HA GLN 39 HA GLN 39 12.065 18.683 7.965 327 HB2 GLN 39 HB2 GLN 39 12.551 21.068 8.032 328 HB3 GLN 39 HB3 GLN 39 11.869 21.278 6.402 329 HG2 GLN 39 HG2 GLN 39 9.644 20.675 7.187 330 HG3 GLN 39 HG3 GLN 39 10.271 20.324 8.807 331 HE21 GLN 39 HE21 GLN 39 8.176 22.208 8.103 332 HE22 GLN 39 HE22 GLN 39 8.740 23.793 8.606 333 H PHE 40 H PHE 40 12.016 19.118 4.468 334 HA PHE 40 HA PHE 40 9.401 17.743 4.402 335 HB2 PHE 40 HB2 PHE 40 10.183 20.186 2.845 336 HB3 PHE 40 HB3 PHE 40 8.843 19.136 2.380 337 HD1 PHE 40 HD1 PHE 40 9.597 22.069 4.067 338 HD2 PHE 40 HD2 PHE 40 7.232 18.502 4.494 339 HE1 PHE 40 HE1 PHE 40 8.078 23.266 5.594 340 HE2 PHE 40 HE2 PHE 40 5.732 19.690 6.073 341 HZ PHE 40 HZ PHE 40 6.153 22.068 6.631 342 H ASN 41 H ASN 41 12.414 17.112 3.777 343 HA ASN 41 HA ASN 41 13.589 15.824 2.348 344 HB2 ASN 41 HB2 ASN 41 10.882 14.607 1.708 345 HB3 ASN 41 HB3 ASN 41 12.452 13.894 1.338 346 HD21 ASN 41 HD21 ASN 41 10.488 12.609 2.921 347 HD22 ASN 41 HD22 ASN 41 11.119 12.452 4.551 348 H CYS 42 H CYS 42 12.179 18.378 1.329 349 HA CYS 42 HA CYS 42 12.121 17.928 -1.580 350 HB2 CYS 42 HB2 CYS 42 11.355 20.266 -1.612 351 HB3 CYS 42 HB3 CYS 42 10.421 19.319 -0.439 352 HG CYS 42 HG CYS 42 12.951 21.395 -0.005 353 H VAL 43 H VAL 43 13.184 19.961 -2.763 354 HA VAL 43 HA VAL 43 15.864 20.561 -1.621 355 HB VAL 43 HB VAL 43 15.268 19.780 -4.493 356 HG11 VAL 43 HG11 VAL 43 16.978 21.520 -4.403 357 HG12 VAL 43 HG12 VAL 43 17.855 20.636 -3.132 358 HG13 VAL 43 HG13 VAL 43 17.736 19.963 -4.776 359 HG21 VAL 43 HG21 VAL 43 15.346 17.817 -3.020 360 HG22 VAL 43 HG22 VAL 43 16.811 17.887 -4.013 361 HG23 VAL 43 HG23 VAL 43 16.874 18.386 -2.309 362 H ILE 44 H ILE 44 16.629 22.672 -2.111 363 HA ILE 44 HA ILE 44 14.693 24.425 -3.534 364 HB ILE 44 HB ILE 44 15.981 24.990 -0.843 365 HG12 ILE 44 HG12 ILE 44 13.073 24.565 -1.625 366 HG13 ILE 44 HG13 ILE 44 14.082 23.433 -0.701 367 HG21 ILE 44 HG21 ILE 44 14.083 26.704 -2.506 368 HG22 ILE 44 HG22 ILE 44 14.769 27.123 -0.916 369 HG23 ILE 44 HG23 ILE 44 15.826 27.010 -2.324 370 HD11 ILE 44 HD11 ILE 44 13.215 26.212 0.188 371 HD12 ILE 44 HD12 ILE 44 12.673 24.658 0.835 372 HD13 ILE 44 HD13 ILE 44 14.366 25.172 1.064 373 H THR 45 H THR 45 15.583 26.044 -4.747 374 HA THR 45 HA THR 45 18.515 26.335 -4.701 375 HB THR 45 HB THR 45 17.076 25.876 -7.308 376 HG1 THR 45 HG1 THR 45 16.878 24.001 -6.132 377 HG21 THR 45 HG21 THR 45 19.989 25.766 -6.452 378 HG22 THR 45 HG22 THR 45 19.376 25.399 -8.083 379 HG23 THR 45 HG23 THR 45 19.221 27.044 -7.425 380 H VAL 46 H VAL 46 18.799 28.424 -4.219 381 HA VAL 46 HA VAL 46 17.070 30.424 -5.430 382 HB VAL 46 HB VAL 46 19.602 30.938 -3.855 383 HG11 VAL 46 HG11 VAL 46 18.658 32.829 -5.180 384 HG12 VAL 46 HG12 VAL 46 17.091 32.584 -4.386 385 HG13 VAL 46 HG13 VAL 46 18.498 33.102 -3.429 386 HG21 VAL 46 HG21 VAL 46 18.104 29.528 -2.513 387 HG22 VAL 46 HG22 VAL 46 18.067 31.201 -1.911 388 HG23 VAL 46 HG23 VAL 46 16.731 30.591 -2.902 389 H HIS 47 H HIS 47 17.330 31.440 -7.291 390 HA HIS 47 HA HIS 47 19.695 30.737 -8.908 391 HB2 HIS 47 HB2 HIS 47 16.875 31.652 -9.479 392 HB3 HIS 47 HB3 HIS 47 18.134 31.770 -10.713 393 HD1 HIS 47 HD1 HIS 47 19.294 29.384 -11.444 394 HD2 HIS 47 HD2 HIS 47 15.789 29.245 -9.118 395 HE1 HIS 47 HE1 HIS 47 18.365 26.992 -11.665 396 HE2 HIS 47 HE2 HIS 47 16.207 26.935 -10.274 397 H THR 48 H THR 48 20.959 32.240 -7.482 398 HA THR 48 HA THR 48 20.445 35.021 -7.593 399 HB THR 48 HB THR 48 22.254 35.371 -6.271 400 HG1 THR 48 HG1 THR 48 24.066 34.030 -6.276 401 HG21 THR 48 HG21 THR 48 22.366 33.550 -4.636 402 HG22 THR 48 HG22 THR 48 20.698 33.754 -5.190 403 HG23 THR 48 HG23 THR 48 21.694 32.405 -5.810 404 H GLU 49 H GLU 49 21.706 33.085 -10.069 405 HA GLU 49 HA GLU 49 23.360 35.150 -11.261 406 HB2 GLU 49 HB2 GLU 49 23.481 33.705 -13.159 407 HB3 GLU 49 HB3 GLU 49 23.707 32.726 -11.711 408 HG2 GLU 49 HG2 GLU 49 21.029 32.986 -13.148 409 HG3 GLU 49 HG3 GLU 49 22.240 31.791 -13.596 410 H VAL 50 H VAL 50 20.015 34.761 -10.855 411 HA VAL 50 HA VAL 50 19.351 36.386 -13.242 412 HB VAL 50 HB VAL 50 17.514 35.081 -11.217 413 HG11 VAL 50 HG11 VAL 50 17.008 36.341 -13.939 414 HG12 VAL 50 HG12 VAL 50 15.816 35.381 -13.033 415 HG13 VAL 50 HG13 VAL 50 16.391 36.914 -12.368 416 HG21 VAL 50 HG21 VAL 50 18.775 33.362 -12.422 417 HG22 VAL 50 HG22 VAL 50 17.099 33.406 -13.005 418 HG23 VAL 50 HG23 VAL 50 18.402 34.144 -13.974 419 H GLN 51 H GLN 51 18.076 38.323 -13.020 420 HA GLN 51 HA GLN 51 17.884 39.521 -10.339 421 HB2 GLN 51 HB2 GLN 51 20.111 40.192 -11.047 422 HB3 GLN 51 HB3 GLN 51 19.494 40.723 -12.622 423 HG2 GLN 51 HG2 GLN 51 18.182 42.495 -11.570 424 HG3 GLN 51 HG3 GLN 51 18.641 41.912 -9.957 425 HE21 GLN 51 HE21 GLN 51 19.153 44.482 -10.284 426 HE22 GLN 51 HE22 GLN 51 20.855 44.779 -10.571 427 H SER 52 H SER 52 15.912 40.299 -10.167 428 HA SER 52 HA SER 52 14.179 40.693 -12.454 429 HB2 SER 52 HB2 SER 52 13.347 39.833 -10.328 430 HB3 SER 52 HB3 SER 52 13.842 41.320 -9.497 431 HG SER 52 HG SER 52 11.628 41.338 -10.080 432 H SER 53 H SER 53 12.864 42.771 -12.638 433 HA SER 53 HA SER 53 14.583 44.981 -13.215 434 HB2 SER 53 HB2 SER 53 11.556 44.810 -12.916 435 HB3 SER 53 HB3 SER 53 12.435 46.177 -13.634 436 HG SER 53 HG SER 53 13.192 44.806 -15.234 437 H PHE 54 H PHE 54 13.346 43.851 -10.283 438 HA PHE 54 HA PHE 54 13.957 46.431 -9.036 439 HB2 PHE 54 HB2 PHE 54 12.359 45.720 -7.151 440 HB3 PHE 54 HB3 PHE 54 11.790 46.492 -8.629 441 HD1 PHE 54 HD1 PHE 54 12.269 43.105 -7.115 442 HD2 PHE 54 HD2 PHE 54 10.114 45.530 -9.928 443 HE1 PHE 54 HE1 PHE 54 10.687 41.224 -7.527 444 HE2 PHE 54 HE2 PHE 54 8.536 43.648 -10.345 445 HZ PHE 54 HZ PHE 54 8.834 41.498 -9.144 446 H GLY 55 H GLY 55 15.551 43.891 -9.560 447 HA2 GLY 55 HA2 GLY 55 17.583 43.332 -8.633 448 HA3 GLY 55 HA3 GLY 55 17.193 44.297 -7.201 449 H ALA 56 H ALA 56 14.553 42.270 -7.616 450 HA ALA 56 HA ALA 56 15.261 40.753 -5.283 451 HB1 ALA 56 HB1 ALA 56 12.969 40.467 -7.265 452 HB2 ALA 56 HB2 ALA 56 13.078 39.651 -5.691 453 HB3 ALA 56 HB3 ALA 56 12.963 41.426 -5.764 454 H THR 57 H THR 57 15.445 38.494 -5.046 455 HA THR 57 HA THR 57 16.601 37.174 -7.406 456 HB THR 57 HB THR 57 17.040 36.184 -4.629 457 HG1 THR 57 HG1 THR 57 18.876 37.505 -4.620 458 HG21 THR 57 HG21 THR 57 18.625 36.115 -7.231 459 HG22 THR 57 HG22 THR 57 19.144 35.404 -5.679 460 HG23 THR 57 HG23 THR 57 17.720 34.755 -6.517 461 HA PRO 58 HA PRO 58 13.159 34.348 -7.299 462 HB2 PRO 58 HB2 PRO 58 13.708 32.897 -9.509 463 HB3 PRO 58 HB3 PRO 58 13.196 34.611 -9.615 464 HG2 PRO 58 HG2 PRO 58 16.016 33.511 -9.741 465 HG3 PRO 58 HG3 PRO 58 15.239 34.724 -10.812 466 HD2 PRO 58 HD2 PRO 58 16.850 35.367 -8.657 467 HD3 PRO 58 HD3 PRO 58 15.531 36.426 -9.233 468 H VAL 59 H VAL 59 12.827 32.097 -6.869 469 HA VAL 59 HA VAL 59 15.189 30.385 -6.428 470 HB VAL 59 HB VAL 59 15.012 31.449 -4.273 471 HG11 VAL 59 HG11 VAL 59 12.033 30.822 -4.366 472 HG12 VAL 59 HG12 VAL 59 12.912 31.449 -2.955 473 HG13 VAL 59 HG13 VAL 59 12.784 32.440 -4.416 474 HG21 VAL 59 HG21 VAL 59 14.437 29.592 -2.811 475 HG22 VAL 59 HG22 VAL 59 13.513 28.800 -4.104 476 HG23 VAL 59 HG23 VAL 59 15.278 28.973 -4.248 477 H GLU 60 H GLU 60 14.685 28.214 -6.501 478 HA GLU 60 HA GLU 60 11.889 27.533 -7.277 479 HB2 GLU 60 HB2 GLU 60 14.554 26.589 -8.339 480 HB3 GLU 60 HB3 GLU 60 13.102 25.583 -8.489 481 HG2 GLU 60 HG2 GLU 60 11.912 27.320 -9.674 482 HG3 GLU 60 HG3 GLU 60 13.268 28.452 -9.474 483 H ILE 61 H ILE 61 11.191 25.389 -6.787 484 HA ILE 61 HA ILE 61 12.617 24.076 -4.531 485 HB ILE 61 HB ILE 61 9.637 24.638 -4.656 486 HG12 ILE 61 HG12 ILE 61 11.791 25.911 -2.929 487 HG13 ILE 61 HG13 ILE 61 10.893 26.694 -4.248 488 HG21 ILE 61 HG21 ILE 61 9.570 23.698 -2.401 489 HG22 ILE 61 HG22 ILE 61 10.227 22.510 -3.520 490 HG23 ILE 61 HG23 ILE 61 11.331 23.406 -2.447 491 HD11 ILE 61 HD11 ILE 61 9.708 25.671 -1.642 492 HD12 ILE 61 HD12 ILE 61 9.903 27.358 -2.152 493 HD13 ILE 61 HD13 ILE 61 8.768 26.299 -3.019 494 H VAL 62 H VAL 62 12.302 21.807 -4.467 495 HA VAL 62 HA VAL 62 10.747 20.614 -6.674 496 HB VAL 62 HB VAL 62 13.599 19.779 -6.095 497 HG11 VAL 62 HG11 VAL 62 12.162 18.023 -7.041 498 HG12 VAL 62 HG12 VAL 62 11.643 19.124 -8.338 499 HG13 VAL 62 HG13 VAL 62 13.335 18.586 -8.251 500 HG21 VAL 62 HG21 VAL 62 13.687 22.021 -7.051 501 HG22 VAL 62 HG22 VAL 62 14.155 20.834 -8.276 502 HG23 VAL 62 HG23 VAL 62 12.530 21.558 -8.322 503 H ALA 63 H ALA 63 9.753 18.704 -6.215 504 HA ALA 63 HA ALA 63 10.564 17.073 -3.944 505 HB1 ALA 63 HB1 ALA 63 7.897 18.545 -3.877 506 HB2 ALA 63 HB2 ALA 63 8.459 17.335 -2.709 507 HB3 ALA 63 HB3 ALA 63 9.290 18.898 -2.828 508 H GLN 64 H GLN 64 8.987 15.201 -3.671 509 HA GLN 64 HA GLN 64 8.450 14.058 -6.262 510 HB2 GLN 64 HB2 GLN 64 9.247 12.738 -4.395 511 HB3 GLN 64 HB3 GLN 64 7.826 13.151 -3.423 512 HG2 GLN 64 HG2 GLN 64 6.366 11.908 -4.930 513 HG3 GLN 64 HG3 GLN 64 7.693 11.674 -6.081 514 HE21 GLN 64 HE21 GLN 64 6.648 9.385 -5.577 515 HE22 GLN 64 HE22 GLN 64 7.506 8.460 -4.365 516 H ASN 65 H ASN 65 6.586 16.058 -4.109 517 HA ASN 65 HA ASN 65 4.257 15.856 -5.866 518 HB2 ASN 65 HB2 ASN 65 2.722 15.314 -3.938 519 HB3 ASN 65 HB3 ASN 65 3.765 13.996 -4.474 520 HD21 ASN 65 HD21 ASN 65 3.986 12.803 -2.607 521 HD22 ASN 65 HD22 ASN 65 4.701 13.447 -1.135 522 H LYS 66 H LYS 66 2.555 17.455 -5.285 523 HA LYS 66 HA LYS 66 3.711 19.966 -4.456 524 HB2 LYS 66 HB2 LYS 66 0.843 19.117 -5.020 525 HB3 LYS 66 HB3 LYS 66 1.358 20.787 -4.726 526 HG2 LYS 66 HG2 LYS 66 2.880 20.696 -6.653 527 HG3 LYS 66 HG3 LYS 66 2.389 19.015 -6.981 528 HD2 LYS 66 HD2 LYS 66 0.051 19.759 -7.312 529 HD3 LYS 66 HD3 LYS 66 0.541 21.440 -6.996 530 HE2 LYS 66 HE2 LYS 66 2.084 21.344 -8.937 531 HE3 LYS 66 HE3 LYS 66 1.608 19.666 -9.235 532 HZ1 LYS 66 HZ1 LYS 66 0.413 21.194 -10.638 533 HZ2 LYS 66 HZ2 LYS 66 -0.634 20.438 -9.622 534 HZ3 LYS 66 HZ3 LYS 66 -0.193 21.997 -9.338 535 H GLU 67 H GLU 67 2.296 17.320 -2.760 536 HA GLU 67 HA GLU 67 1.136 18.773 -0.570 537 HB2 GLU 67 HB2 GLU 67 2.184 15.919 -0.736 538 HB3 GLU 67 HB3 GLU 67 1.117 16.549 0.528 539 HG2 GLU 67 HG2 GLU 67 0.444 16.380 -2.437 540 HG3 GLU 67 HG3 GLU 67 -0.101 15.247 -1.192 541 H GLN 68 H GLN 68 4.367 18.390 -1.501 542 HA GLN 68 HA GLN 68 5.266 19.128 1.247 543 HB2 GLN 68 HB2 GLN 68 6.660 17.302 -0.744 544 HB3 GLN 68 HB3 GLN 68 7.365 17.870 0.782 545 HG2 GLN 68 HG2 GLN 68 5.747 16.668 2.082 546 HG3 GLN 68 HG3 GLN 68 4.760 16.298 0.661 547 HE21 GLN 68 HE21 GLN 68 8.346 16.041 1.013 548 HE22 GLN 68 HE22 GLN 68 8.389 14.321 0.674 549 H CYS 69 H CYS 69 5.355 19.698 -2.238 550 HA CYS 69 HA CYS 69 7.706 21.379 -2.182 551 HB2 CYS 69 HB2 CYS 69 6.615 20.165 -4.183 552 HB3 CYS 69 HB3 CYS 69 5.389 21.447 -4.162 553 HG CYS 69 HG CYS 69 8.663 21.617 -4.529 554 H GLN 70 H GLN 70 4.157 21.885 -1.895 555 HA GLN 70 HA GLN 70 4.307 24.772 -1.830 556 HB2 GLN 70 HB2 GLN 70 2.221 22.803 -0.807 557 HB3 GLN 70 HB3 GLN 70 1.994 24.550 -0.870 558 HG2 GLN 70 HG2 GLN 70 2.611 22.820 -3.312 559 HG3 GLN 70 HG3 GLN 70 0.982 23.239 -2.794 560 HE21 GLN 70 HE21 GLN 70 1.539 23.954 -5.294 561 HE22 GLN 70 HE22 GLN 70 1.838 25.676 -5.428 562 H GLU 71 H GLU 71 4.618 22.204 0.611 563 HA GLU 71 HA GLU 71 4.221 23.998 2.850 564 HB2 GLU 71 HB2 GLU 71 5.625 21.295 2.714 565 HB3 GLU 71 HB3 GLU 71 5.042 22.104 4.179 566 HG2 GLU 71 HG2 GLU 71 3.309 21.115 1.872 567 HG3 GLU 71 HG3 GLU 71 3.521 20.310 3.426 568 H ALA 72 H ALA 72 6.987 22.962 0.874 569 HA ALA 72 HA ALA 72 8.955 24.163 2.638 570 HB1 ALA 72 HB1 ALA 72 9.102 23.210 -0.250 571 HB2 ALA 72 HB2 ALA 72 10.494 23.627 0.777 572 HB3 ALA 72 HB3 ALA 72 9.458 22.240 1.192 573 H ARG 73 H ARG 73 6.878 25.276 0.020 574 HA ARG 73 HA ARG 73 8.368 27.708 -0.538 575 HB2 ARG 73 HB2 ARG 73 6.713 26.827 -2.157 576 HB3 ARG 73 HB3 ARG 73 5.443 26.935 -0.929 577 HG2 ARG 73 HG2 ARG 73 6.020 29.481 -0.812 578 HG3 ARG 73 HG3 ARG 73 6.866 29.200 -2.352 579 HD2 ARG 73 HD2 ARG 73 4.737 28.249 -3.271 580 HD3 ARG 73 HD3 ARG 73 3.955 28.569 -1.709 581 HE ARG 73 HE ARG 73 3.863 30.851 -2.190 582 HH11 ARG 73 HH11 ARG 73 5.788 29.138 -4.560 583 HH12 ARG 73 HH12 ARG 73 5.819 30.465 -5.708 584 HH21 ARG 73 HH21 ARG 73 3.913 32.607 -3.657 585 HH22 ARG 73 HH22 ARG 73 4.774 32.456 -5.169 586 H ASN 74 H ASN 74 5.397 26.969 1.305 587 HA ASN 74 HA ASN 74 5.137 29.592 2.403 588 HB2 ASN 74 HB2 ASN 74 3.956 26.880 3.078 589 HB3 ASN 74 HB3 ASN 74 3.548 28.342 3.993 590 HD21 ASN 74 HD21 ASN 74 2.939 26.519 1.123 591 HD22 ASN 74 HD22 ASN 74 1.839 27.656 0.375 592 H ALA 75 H ALA 75 7.229 26.963 3.241 593 HA ALA 75 HA ALA 75 7.693 27.832 5.969 594 HB1 ALA 75 HB1 ALA 75 9.233 25.984 4.110 595 HB2 ALA 75 HB2 ALA 75 9.568 26.208 5.844 596 HB3 ALA 75 HB3 ALA 75 8.019 25.507 5.320 597 H VAL 76 H VAL 76 8.427 29.291 3.037 598 HA VAL 76 HA VAL 76 10.820 30.606 4.217 599 HB VAL 76 HB VAL 76 10.410 29.805 1.310 600 HG11 VAL 76 HG11 VAL 76 12.727 31.207 2.701 601 HG12 VAL 76 HG12 VAL 76 12.769 30.567 1.044 602 HG13 VAL 76 HG13 VAL 76 11.672 31.899 1.444 603 HG21 VAL 76 HG21 VAL 76 10.996 27.887 2.755 604 HG22 VAL 76 HG22 VAL 76 12.346 28.329 1.690 605 HG23 VAL 76 HG23 VAL 76 12.379 28.805 3.402 606 H MET 77 H MET 77 7.706 30.916 2.653 607 HA MET 77 HA MET 77 8.216 33.694 1.888 608 HB2 MET 77 HB2 MET 77 5.717 31.956 1.797 609 HB3 MET 77 HB3 MET 77 5.802 33.618 1.175 610 HG2 MET 77 HG2 MET 77 7.552 31.310 0.250 611 HG3 MET 77 HG3 MET 77 6.151 31.938 -0.615 612 HE1 MET 77 HE1 MET 77 8.550 31.616 -2.269 613 HE2 MET 77 HE2 MET 77 9.850 32.841 -2.233 614 HE3 MET 77 HE3 MET 77 9.681 31.680 -0.898 615 H SER 78 H SER 78 7.508 32.216 4.841 616 HA SER 78 HA SER 78 6.858 34.831 5.966 617 HB2 SER 78 HB2 SER 78 4.626 34.114 5.287 618 HB3 SER 78 HB3 SER 78 4.857 32.542 6.078 619 HG SER 78 HG SER 78 3.688 34.046 7.361 620 H LEU 79 H LEU 79 7.242 31.292 6.517 621 HA LEU 79 HA LEU 79 7.760 31.734 9.363 622 HB2 LEU 79 HB2 LEU 79 8.156 29.243 7.664 623 HB3 LEU 79 HB3 LEU 79 8.105 29.329 9.433 624 HG LEU 79 HG LEU 79 5.802 29.985 7.537 625 HD11 LEU 79 HD11 LEU 79 6.328 27.578 7.686 626 HD12 LEU 79 HD12 LEU 79 6.249 27.667 9.460 627 HD13 LEU 79 HD13 LEU 79 4.789 27.954 8.492 628 HD21 LEU 79 HD21 LEU 79 5.675 31.350 9.591 629 HD22 LEU 79 HD22 LEU 79 4.447 30.074 9.627 630 HD23 LEU 79 HD23 LEU 79 5.933 29.904 10.590 631 H MET 80 H MET 80 9.661 31.044 6.436 632 HA MET 80 HA MET 80 11.868 30.918 6.020 633 HB2 MET 80 HB2 MET 80 12.083 33.128 8.094 634 HB3 MET 80 HB3 MET 80 13.181 32.811 6.739 635 HG2 MET 80 HG2 MET 80 11.210 33.154 5.179 636 HG3 MET 80 HG3 MET 80 10.266 33.657 6.588 637 HE1 MET 80 HE1 MET 80 13.865 34.283 5.120 638 HE2 MET 80 HE2 MET 80 12.721 34.654 3.811 639 HE3 MET 80 HE3 MET 80 13.695 35.957 4.539 640 H GLN 81 H GLN 81 10.839 29.223 8.252 641 HA GLN 81 HA GLN 81 11.473 27.952 9.979 642 HB2 GLN 81 HB2 GLN 81 12.767 27.040 8.064 643 HB3 GLN 81 HB3 GLN 81 14.197 27.916 8.631 644 HG2 GLN 81 HG2 GLN 81 12.772 26.331 10.721 645 HG3 GLN 81 HG3 GLN 81 13.385 25.362 9.385 646 HE21 GLN 81 HE21 GLN 81 14.225 25.360 12.204 647 HE22 GLN 81 HE22 GLN 81 15.940 25.710 12.181 648 H SER 82 H SER 82 11.661 30.820 10.426 649 HA SER 82 HA SER 82 14.004 31.482 11.912 650 HB2 SER 82 HB2 SER 82 12.489 33.149 10.955 651 HB3 SER 82 HB3 SER 82 11.172 32.585 11.998 652 HG SER 82 HG SER 82 12.251 34.428 12.840 653 H HIS 83 H HIS 83 11.224 29.527 12.718 654 HA HIS 83 HA HIS 83 11.361 29.858 15.576 655 HB2 HIS 83 HB2 HIS 83 10.062 27.662 15.524 656 HB3 HIS 83 HB3 HIS 83 9.336 29.068 14.747 657 HD1 HIS 83 HD1 HIS 83 11.660 26.245 13.325 658 HD2 HIS 83 HD2 HIS 83 8.116 28.418 12.622 659 HE1 HIS 83 HE1 HIS 83 10.685 25.340 11.147 660 HE2 HIS 83 HE2 HIS 83 8.524 26.672 10.713 661 H GLN 84 H GLN 84 12.622 28.897 17.079 662 HA GLN 84 HA GLN 84 14.912 27.374 16.067 663 HB2 GLN 84 HB2 GLN 84 15.825 27.741 18.307 664 HB3 GLN 84 HB3 GLN 84 15.215 29.258 17.626 665 HG2 GLN 84 HG2 GLN 84 13.141 29.027 18.967 666 HG3 GLN 84 HG3 GLN 84 13.727 27.496 19.628 667 HE21 GLN 84 HE21 GLN 84 13.148 29.051 21.591 668 HE22 GLN 84 HE22 GLN 84 14.526 29.890 22.264 669 H ASP 85 H ASP 85 11.828 26.601 17.381 670 HA ASP 85 HA ASP 85 12.819 24.146 18.614 671 HB2 ASP 85 HB2 ASP 85 10.399 23.832 19.309 672 HB3 ASP 85 HB3 ASP 85 11.352 25.125 20.037 673 H LYS 86 H LYS 86 12.356 24.799 15.535 674 HA LYS 86 HA LYS 86 11.802 21.999 14.892 675 HB2 LYS 86 HB2 LYS 86 9.532 22.926 15.043 676 HB3 LYS 86 HB3 LYS 86 9.963 24.236 13.934 677 HG2 LYS 86 HG2 LYS 86 10.404 22.594 12.139 678 HG3 LYS 86 HG3 LYS 86 10.037 21.265 13.263 679 HD2 LYS 86 HD2 LYS 86 7.739 22.157 13.560 680 HD3 LYS 86 HD3 LYS 86 8.111 23.479 12.438 681 HE2 LYS 86 HE2 LYS 86 6.890 21.716 11.264 682 HE3 LYS 86 HE3 LYS 86 8.541 21.835 10.639 683 HZ1 LYS 86 HZ1 LYS 86 7.596 19.847 12.599 684 HZ2 LYS 86 HZ2 LYS 86 7.885 19.561 11.007 685 HZ3 LYS 86 HZ3 LYS 86 9.124 19.944 12.010 Start of MODEL 6 1 H1 SER 1 H SER 1 10.540 -5.346 -3.229 2 HA SER 1 HA SER 1 9.239 -4.966 -5.188 3 HB2 SER 1 HB2 SER 1 7.768 -3.234 -4.279 4 HB3 SER 1 HB3 SER 1 8.324 -4.324 -2.999 5 HG SER 1 HG SER 1 8.506 -2.126 -2.404 6 H GLY 2 H GLY 2 8.337 -3.195 -6.625 7 HA2 GLY 2 HA2 GLY 2 8.595 -1.468 -8.116 8 HA3 GLY 2 HA3 GLY 2 10.005 -0.903 -7.211 9 H SER 3 H SER 3 10.400 -0.590 -9.724 10 HA SER 3 HA SER 3 12.418 -2.571 -10.465 11 HB2 SER 3 HB2 SER 3 11.473 -3.071 -12.647 12 HB3 SER 3 HB3 SER 3 10.274 -3.505 -11.412 13 HG SER 3 HG SER 3 9.166 -1.647 -11.866 14 H HIS 4 H HIS 4 13.507 -1.828 -12.581 15 HA HIS 4 HA HIS 4 14.246 0.924 -12.295 16 HB2 HIS 4 HB2 HIS 4 14.772 -1.000 -14.587 17 HB3 HIS 4 HB3 HIS 4 15.668 0.481 -14.239 18 HD1 HIS 4 HD1 HIS 4 16.561 0.261 -11.353 19 HD2 HIS 4 HD2 HIS 4 16.180 -3.056 -13.923 20 HE1 HIS 4 HE1 HIS 4 18.048 -1.590 -10.376 21 HE2 HIS 4 HE2 HIS 4 17.809 -3.605 -11.945 22 H MET 5 H MET 5 11.521 -0.462 -13.780 23 HA MET 5 HA MET 5 11.291 1.449 -15.974 24 HB2 MET 5 HB2 MET 5 9.287 -0.501 -14.756 25 HB3 MET 5 HB3 MET 5 9.066 0.413 -16.260 26 HG2 MET 5 HG2 MET 5 11.035 -0.695 -17.243 27 HG3 MET 5 HG3 MET 5 11.312 -1.579 -15.738 28 HE1 MET 5 HE1 MET 5 9.083 -1.134 -18.900 29 HE2 MET 5 HE2 MET 5 7.780 -2.316 -18.631 30 HE3 MET 5 HE3 MET 5 7.876 -0.854 -17.619 31 H LYS 6 H LYS 6 10.916 1.719 -12.625 32 HA LYS 6 HA LYS 6 8.522 3.261 -12.454 33 HB2 LYS 6 HB2 LYS 6 9.489 2.151 -10.525 34 HB3 LYS 6 HB3 LYS 6 10.985 3.090 -10.681 35 HG2 LYS 6 HG2 LYS 6 9.771 5.163 -10.190 36 HG3 LYS 6 HG3 LYS 6 8.236 4.263 -10.111 37 HD2 LYS 6 HD2 LYS 6 9.084 2.954 -8.207 38 HD3 LYS 6 HD3 LYS 6 10.646 3.788 -8.301 39 HE2 LYS 6 HE2 LYS 6 7.948 5.098 -7.746 40 HE3 LYS 6 HE3 LYS 6 9.181 4.733 -6.529 41 HZ1 LYS 6 HZ1 LYS 6 9.309 7.013 -7.239 42 HZ2 LYS 6 HZ2 LYS 6 10.677 6.220 -7.679 43 HZ3 LYS 6 HZ3 LYS 6 9.533 6.570 -8.805 44 H THR 7 H THR 7 8.174 5.461 -12.358 45 HA THR 7 HA THR 7 9.889 7.048 -14.002 46 HB THR 7 HB THR 7 8.254 8.603 -14.128 47 HG1 THR 7 HG1 THR 7 6.765 8.958 -12.452 48 HG21 THR 7 HG21 THR 7 7.324 6.379 -14.795 49 HG22 THR 7 HG22 THR 7 6.631 6.212 -13.160 50 HG23 THR 7 HG23 THR 7 6.089 7.520 -14.223 51 H CYS 8 H CYS 8 10.417 9.369 -13.456 52 HA CYS 8 HA CYS 8 11.535 9.572 -10.710 53 HB2 CYS 8 HB2 CYS 8 13.243 8.792 -12.394 54 HB3 CYS 8 HB3 CYS 8 13.011 10.322 -13.268 55 HG CYS 8 HG CYS 8 13.681 11.894 -11.374 56 H VAL 9 H VAL 9 9.107 10.663 -12.177 57 HA VAL 9 HA VAL 9 9.573 13.422 -12.754 58 HB VAL 9 HB VAL 9 6.981 12.062 -11.964 59 HG11 VAL 9 HG11 VAL 9 6.835 14.526 -11.968 60 HG12 VAL 9 HG12 VAL 9 7.589 14.576 -13.579 61 HG13 VAL 9 HG13 VAL 9 5.976 13.854 -13.372 62 HG21 VAL 9 HG21 VAL 9 8.281 12.394 -14.698 63 HG22 VAL 9 HG22 VAL 9 8.032 10.860 -13.835 64 HG23 VAL 9 HG23 VAL 9 6.633 11.795 -14.400 65 H VAL 10 H VAL 10 9.181 15.279 -11.558 66 HA VAL 10 HA VAL 10 8.555 15.024 -8.683 67 HB VAL 10 HB VAL 10 10.495 16.449 -8.084 68 HG11 VAL 10 HG11 VAL 10 11.358 13.906 -9.521 69 HG12 VAL 10 HG12 VAL 10 12.235 14.749 -8.228 70 HG13 VAL 10 HG13 VAL 10 10.671 13.975 -7.882 71 HG21 VAL 10 HG21 VAL 10 11.395 15.953 -10.952 72 HG22 VAL 10 HG22 VAL 10 10.865 17.512 -10.273 73 HG23 VAL 10 HG23 VAL 10 12.347 16.731 -9.678 74 H GLU 11 H GLU 11 7.939 17.043 -7.724 75 HA GLU 11 HA GLU 11 6.545 18.788 -9.603 76 HB2 GLU 11 HB2 GLU 11 6.750 18.736 -6.569 77 HB3 GLU 11 HB3 GLU 11 5.720 19.849 -7.473 78 HG2 GLU 11 HG2 GLU 11 5.549 16.810 -7.580 79 HG3 GLU 11 HG3 GLU 11 4.481 17.870 -6.646 80 H LYS 12 H LYS 12 6.656 21.144 -9.416 81 HA LYS 12 HA LYS 12 9.201 22.245 -8.431 82 HB2 LYS 12 HB2 LYS 12 8.421 22.066 -11.331 83 HB3 LYS 12 HB3 LYS 12 9.225 23.533 -10.751 84 HG2 LYS 12 HG2 LYS 12 11.053 22.186 -9.794 85 HG3 LYS 12 HG3 LYS 12 10.311 20.706 -10.456 86 HD2 LYS 12 HD2 LYS 12 10.549 21.582 -12.735 87 HD3 LYS 12 HD3 LYS 12 11.172 23.119 -12.107 88 HE2 LYS 12 HE2 LYS 12 13.027 21.738 -12.868 89 HE3 LYS 12 HE3 LYS 12 13.103 21.956 -11.114 90 HZ1 LYS 12 HZ1 LYS 12 12.054 19.572 -12.486 91 HZ2 LYS 12 HZ2 LYS 12 13.513 19.690 -11.742 92 HZ3 LYS 12 HZ3 LYS 12 12.127 19.780 -10.854 93 H ILE 13 H ILE 13 9.245 24.386 -8.037 94 HA ILE 13 HA ILE 13 6.896 26.077 -8.595 95 HB ILE 13 HB ILE 13 7.963 25.445 -5.818 96 HG12 ILE 13 HG12 ILE 13 5.189 25.264 -7.073 97 HG13 ILE 13 HG13 ILE 13 6.232 23.906 -6.617 98 HG21 ILE 13 HG21 ILE 13 6.079 27.678 -6.665 99 HG22 ILE 13 HG22 ILE 13 6.472 27.224 -4.987 100 HG23 ILE 13 HG23 ILE 13 7.734 27.878 -6.023 101 HD11 ILE 13 HD11 ILE 13 6.149 24.755 -4.226 102 HD12 ILE 13 HD12 ILE 13 4.877 25.884 -4.750 103 HD13 ILE 13 HD13 ILE 13 4.611 24.138 -4.882 104 H LYS 14 H LYS 14 7.438 28.306 -8.586 105 HA LYS 14 HA LYS 14 10.220 29.046 -7.957 106 HB2 LYS 14 HB2 LYS 14 10.378 28.431 -10.291 107 HB3 LYS 14 HB3 LYS 14 8.934 29.388 -10.679 108 HG2 LYS 14 HG2 LYS 14 10.102 31.465 -10.065 109 HG3 LYS 14 HG3 LYS 14 11.535 30.539 -9.571 110 HD2 LYS 14 HD2 LYS 14 11.842 31.517 -11.800 111 HD3 LYS 14 HD3 LYS 14 11.833 29.741 -11.879 112 HE2 LYS 14 HE2 LYS 14 9.473 29.778 -12.607 113 HE3 LYS 14 HE3 LYS 14 9.455 31.543 -12.484 114 HZ1 LYS 14 HZ1 LYS 14 11.142 31.619 -14.189 115 HZ2 LYS 14 HZ2 LYS 14 11.174 29.980 -14.296 116 HZ3 LYS 14 HZ3 LYS 14 9.819 30.810 -14.731 117 H GLN 15 H GLN 15 10.372 31.067 -7.110 118 HA GLN 15 HA GLN 15 8.359 33.089 -7.643 119 HB2 GLN 15 HB2 GLN 15 7.135 31.794 -5.987 120 HB3 GLN 15 HB3 GLN 15 8.543 31.763 -4.914 121 HG2 GLN 15 HG2 GLN 15 6.853 33.430 -4.188 122 HG3 GLN 15 HG3 GLN 15 8.400 34.176 -4.568 123 HE21 GLN 15 HE21 GLN 15 7.704 36.221 -5.135 124 HE22 GLN 15 HE22 GLN 15 6.670 36.537 -6.518 125 H TRP 16 H TRP 16 8.965 35.154 -6.948 126 HA TRP 16 HA TRP 16 11.850 35.485 -6.490 127 HB2 TRP 16 HB2 TRP 16 9.620 37.490 -6.994 128 HB3 TRP 16 HB3 TRP 16 11.349 37.833 -7.002 129 HD1 TRP 16 HD1 TRP 16 8.712 35.889 -9.013 130 HE1 TRP 16 HE1 TRP 16 9.485 35.619 -11.424 131 HE3 TRP 16 HE3 TRP 16 13.367 37.966 -8.588 132 HZ2 TRP 16 HZ2 TRP 16 11.831 36.257 -12.996 133 HZ3 TRP 16 HZ3 TRP 16 14.832 38.143 -10.560 134 HH2 TRP 16 HH2 TRP 16 14.087 37.288 -12.771 135 H ILE 17 H ILE 17 12.751 36.595 -4.774 136 HA ILE 17 HA ILE 17 10.944 37.696 -2.700 137 HB ILE 17 HB ILE 17 12.159 36.779 -0.906 138 HG12 ILE 17 HG12 ILE 17 14.208 35.800 -2.913 139 HG13 ILE 17 HG13 ILE 17 14.411 37.064 -1.689 140 HG21 ILE 17 HG21 ILE 17 10.562 35.216 -2.009 141 HG22 ILE 17 HG22 ILE 17 11.930 34.484 -2.884 142 HG23 ILE 17 HG23 ILE 17 11.844 34.407 -1.104 143 HD11 ILE 17 HD11 ILE 17 14.025 35.364 0.097 144 HD12 ILE 17 HD12 ILE 17 13.971 34.103 -1.163 145 HD13 ILE 17 HD13 ILE 17 15.460 35.024 -0.901 146 HA PRO 18 HA PRO 18 13.541 41.188 -3.447 147 HB2 PRO 18 HB2 PRO 18 13.412 42.515 -1.039 148 HB3 PRO 18 HB3 PRO 18 12.056 42.442 -2.214 149 HG2 PRO 18 HG2 PRO 18 12.505 40.682 0.215 150 HG3 PRO 18 HG3 PRO 18 11.006 41.551 -0.254 151 HD2 PRO 18 HD2 PRO 18 11.342 38.938 -0.861 152 HD3 PRO 18 HD3 PRO 18 10.605 40.050 -2.061 153 H THR 19 H THR 19 15.691 41.831 -3.179 154 HA THR 19 HA THR 19 17.387 39.862 -2.152 155 HB THR 19 HB THR 19 18.476 42.581 -2.664 156 HG1 THR 19 HG1 THR 19 18.281 42.155 -4.870 157 HG21 THR 19 HG21 THR 19 19.286 39.749 -3.446 158 HG22 THR 19 HG22 THR 19 20.197 41.230 -3.830 159 HG23 THR 19 HG23 THR 19 20.011 40.722 -2.140 160 H THR 20 H THR 20 15.778 42.186 -0.365 161 HA THR 20 HA THR 20 17.789 42.572 1.646 162 HB THR 20 HB THR 20 16.359 43.988 2.715 163 HG1 THR 20 HG1 THR 20 14.107 43.809 2.552 164 HG21 THR 20 HG21 THR 20 15.203 43.979 -0.114 165 HG22 THR 20 HG22 THR 20 15.213 45.334 1.035 166 HG23 THR 20 HG23 THR 20 16.741 44.746 0.349 167 H GLU 21 H GLU 21 15.912 39.883 0.997 168 HA GLU 21 HA GLU 21 16.416 38.926 3.762 169 HB2 GLU 21 HB2 GLU 21 14.287 37.801 3.860 170 HB3 GLU 21 HB3 GLU 21 14.055 39.534 3.585 171 HG2 GLU 21 HG2 GLU 21 13.718 39.051 1.153 172 HG3 GLU 21 HG3 GLU 21 13.863 37.319 1.492 173 H VAL 22 H VAL 22 17.257 38.502 0.596 174 HA VAL 22 HA VAL 22 17.154 35.654 0.308 175 HB VAL 22 HB VAL 22 19.098 37.775 -0.706 176 HG11 VAL 22 HG11 VAL 22 18.859 34.854 -1.513 177 HG12 VAL 22 HG12 VAL 22 19.795 36.085 -2.389 178 HG13 VAL 22 HG13 VAL 22 20.270 35.627 -0.745 179 HG21 VAL 22 HG21 VAL 22 16.887 36.237 -2.126 180 HG22 VAL 22 HG22 VAL 22 16.726 37.902 -1.517 181 HG23 VAL 22 HG23 VAL 22 17.893 37.530 -2.807 182 H GLY 23 H GLY 23 19.141 37.837 2.237 183 HA2 GLY 23 HA2 GLY 23 21.317 36.028 2.725 184 HA3 GLY 23 HA3 GLY 23 20.914 37.487 3.647 185 H LYS 24 H LYS 24 18.045 36.085 3.919 186 HA LYS 24 HA LYS 24 18.696 34.795 6.460 187 HB2 LYS 24 HB2 LYS 24 16.055 35.181 4.995 188 HB3 LYS 24 HB3 LYS 24 16.242 34.529 6.636 189 HG2 LYS 24 HG2 LYS 24 17.317 36.662 7.342 190 HG3 LYS 24 HG3 LYS 24 17.103 37.311 5.709 191 HD2 LYS 24 HD2 LYS 24 15.327 38.120 7.196 192 HD3 LYS 24 HD3 LYS 24 14.653 37.076 5.926 193 HE2 LYS 24 HE2 LYS 24 14.596 35.179 7.525 194 HE3 LYS 24 HE3 LYS 24 15.305 36.213 8.778 195 HZ1 LYS 24 HZ1 LYS 24 12.923 36.056 8.968 196 HZ2 LYS 24 HZ2 LYS 24 13.356 37.601 8.625 197 HZ3 LYS 24 HZ3 LYS 24 12.711 36.641 7.450 198 H ILE 25 H ILE 25 18.009 33.796 3.152 199 HA ILE 25 HA ILE 25 17.470 31.008 3.932 200 HB ILE 25 HB ILE 25 17.881 32.340 1.228 201 HG12 ILE 25 HG12 ILE 25 15.304 31.542 2.647 202 HG13 ILE 25 HG13 ILE 25 15.897 33.197 2.406 203 HG21 ILE 25 HG21 ILE 25 18.393 29.935 1.169 204 HG22 ILE 25 HG22 ILE 25 16.818 29.566 1.918 205 HG23 ILE 25 HG23 ILE 25 16.906 30.268 0.289 206 HD11 ILE 25 HD11 ILE 25 14.279 32.765 0.690 207 HD12 ILE 25 HD12 ILE 25 15.893 32.781 -0.075 208 HD13 ILE 25 HD13 ILE 25 15.058 31.240 0.234 209 H LEU 26 H LEU 26 20.071 32.974 2.459 210 HA LEU 26 HA LEU 26 21.752 30.567 2.166 211 HB2 LEU 26 HB2 LEU 26 22.162 33.430 1.237 212 HB3 LEU 26 HB3 LEU 26 23.173 32.036 0.809 213 HG LEU 26 HG LEU 26 20.230 32.365 0.084 214 HD11 LEU 26 HD11 LEU 26 22.784 32.477 -1.572 215 HD12 LEU 26 HD12 LEU 26 21.132 32.556 -2.212 216 HD13 LEU 26 HD13 LEU 26 21.743 33.861 -1.159 217 HD21 LEU 26 HD21 LEU 26 20.811 29.991 0.396 218 HD22 LEU 26 HD22 LEU 26 20.669 30.352 -1.334 219 HD23 LEU 26 HD23 LEU 26 22.277 30.200 -0.587 220 H GLY 27 H GLY 27 21.163 32.663 4.656 221 HA2 GLY 27 HA2 GLY 27 23.787 33.429 5.471 222 HA3 GLY 27 HA3 GLY 27 22.364 33.312 6.513 223 H ASN 28 H ASN 28 25.121 32.574 7.126 224 HA ASN 28 HA ASN 28 26.410 30.905 7.954 225 HB2 ASN 28 HB2 ASN 28 24.607 31.162 9.644 226 HB3 ASN 28 HB3 ASN 28 23.707 29.853 8.867 227 HD21 ASN 28 HD21 ASN 28 24.036 29.216 11.303 228 HD22 ASN 28 HD22 ASN 28 25.392 28.150 11.606 229 H ARG 29 H ARG 29 26.650 30.401 5.493 230 HA ARG 29 HA ARG 29 26.989 28.832 3.892 231 HB2 ARG 29 HB2 ARG 29 26.908 26.946 6.268 232 HB3 ARG 29 HB3 ARG 29 27.588 26.562 4.679 233 HG2 ARG 29 HG2 ARG 29 29.340 28.186 4.916 234 HG3 ARG 29 HG3 ARG 29 28.582 28.920 6.341 235 HD2 ARG 29 HD2 ARG 29 29.612 26.065 6.227 236 HD3 ARG 29 HD3 ARG 29 30.498 27.441 6.914 237 HE ARG 29 HE ARG 29 28.416 27.697 8.426 238 HH11 ARG 29 HH11 ARG 29 29.679 24.587 7.298 239 HH12 ARG 29 HH12 ARG 29 29.032 23.712 8.667 240 HH21 ARG 29 HH21 ARG 29 27.595 26.536 10.171 241 HH22 ARG 29 HH22 ARG 29 27.878 24.816 10.307 242 H ALA 30 H ALA 30 24.288 29.627 4.297 243 HA ALA 30 HA ALA 30 22.173 29.121 3.775 244 HB1 ALA 30 HB1 ALA 30 23.416 26.970 2.022 245 HB2 ALA 30 HB2 ALA 30 21.807 27.700 1.830 246 HB3 ALA 30 HB3 ALA 30 23.261 28.690 1.596 247 H ALA 31 H ALA 31 23.339 27.700 6.144 248 HA ALA 31 HA ALA 31 22.324 25.064 6.302 249 HB1 ALA 31 HB1 ALA 31 22.517 25.422 8.741 250 HB2 ALA 31 HB2 ALA 31 23.944 26.035 7.875 251 HB3 ALA 31 HB3 ALA 31 22.705 27.169 8.470 252 H VAL 32 H VAL 32 20.684 28.174 6.443 253 HA VAL 32 HA VAL 32 18.308 27.203 7.784 254 HB VAL 32 HB VAL 32 18.815 29.623 6.007 255 HG11 VAL 32 HG11 VAL 32 16.726 30.508 7.067 256 HG12 VAL 32 HG12 VAL 32 16.421 29.092 6.043 257 HG13 VAL 32 HG13 VAL 32 16.462 28.911 7.808 258 HG21 VAL 32 HG21 VAL 32 20.154 29.617 8.083 259 HG22 VAL 32 HG22 VAL 32 18.877 30.846 8.164 260 HG23 VAL 32 HG23 VAL 32 18.689 29.308 9.039 261 H LYS 33 H LYS 33 19.387 27.526 4.379 262 HA LYS 33 HA LYS 33 16.848 26.771 3.248 263 HB2 LYS 33 HB2 LYS 33 18.702 27.982 2.060 264 HB3 LYS 33 HB3 LYS 33 19.655 26.490 2.090 265 HG2 LYS 33 HG2 LYS 33 17.859 25.343 0.780 266 HG3 LYS 33 HG3 LYS 33 16.917 26.847 0.791 267 HD2 LYS 33 HD2 LYS 33 18.039 26.750 -1.330 268 HD3 LYS 33 HD3 LYS 33 18.840 27.994 -0.362 269 HE2 LYS 33 HE2 LYS 33 20.546 26.686 -1.461 270 HE3 LYS 33 HE3 LYS 33 20.594 26.307 0.264 271 HZ1 LYS 33 HZ1 LYS 33 19.269 24.686 -1.816 272 HZ2 LYS 33 HZ2 LYS 33 20.701 24.324 -1.099 273 HZ3 LYS 33 HZ3 LYS 33 19.301 24.307 -0.230 274 H LYS 34 H LYS 34 19.803 25.052 4.236 275 HA LYS 34 HA LYS 34 19.040 22.468 3.245 276 HB2 LYS 34 HB2 LYS 34 21.008 23.353 5.393 277 HB3 LYS 34 HB3 LYS 34 20.907 21.707 4.750 278 HG2 LYS 34 HG2 LYS 34 21.534 22.418 2.539 279 HG3 LYS 34 HG3 LYS 34 21.342 24.131 2.961 280 HD2 LYS 34 HD2 LYS 34 23.198 23.955 4.583 281 HD3 LYS 34 HD3 LYS 34 23.426 22.244 4.150 282 HE2 LYS 34 HE2 LYS 34 23.939 22.859 1.837 283 HE3 LYS 34 HE3 LYS 34 23.577 24.561 2.169 284 HZ1 LYS 34 HZ1 LYS 34 25.407 24.622 3.683 285 HZ2 LYS 34 HZ2 LYS 34 25.746 23.031 3.438 286 HZ3 LYS 34 HZ3 LYS 34 25.934 24.113 2.214 287 H HIS 35 H HIS 35 18.183 24.244 6.160 288 HA HIS 35 HA HIS 35 17.351 21.923 7.678 289 HB2 HIS 35 HB2 HIS 35 17.867 24.080 8.742 290 HB3 HIS 35 HB3 HIS 35 16.561 24.863 7.844 291 HD1 HIS 35 HD1 HIS 35 16.977 22.154 10.590 292 HD2 HIS 35 HD2 HIS 35 14.163 24.799 8.896 293 HE1 HIS 35 HE1 HIS 35 14.882 22.038 12.071 294 HE2 HIS 35 HE2 HIS 35 13.180 23.656 11.035 295 H ILE 36 H ILE 36 15.798 24.070 5.290 296 HA ILE 36 HA ILE 36 13.138 23.026 5.783 297 HB ILE 36 HB ILE 36 14.327 24.631 3.493 298 HG12 ILE 36 HG12 ILE 36 12.594 25.478 5.848 299 HG13 ILE 36 HG13 ILE 36 14.352 25.680 5.783 300 HG21 ILE 36 HG21 ILE 36 11.968 25.164 2.918 301 HG22 ILE 36 HG22 ILE 36 12.299 23.439 2.754 302 HG23 ILE 36 HG23 ILE 36 11.416 24.034 4.179 303 HD11 ILE 36 HD11 ILE 36 12.329 26.978 3.919 304 HD12 ILE 36 HD12 ILE 36 13.327 27.774 5.155 305 HD13 ILE 36 HD13 ILE 36 14.095 27.068 3.720 306 H GLU 37 H GLU 37 15.867 22.161 3.692 307 HA GLU 37 HA GLU 37 14.388 20.464 1.916 308 HB2 GLU 37 HB2 GLU 37 17.323 20.570 2.702 309 HB3 GLU 37 HB3 GLU 37 16.674 19.546 1.401 310 HG2 GLU 37 HG2 GLU 37 15.778 21.526 0.252 311 HG3 GLU 37 HG3 GLU 37 16.363 22.574 1.543 312 H ARG 38 H ARG 38 15.883 19.907 5.116 313 HA ARG 38 HA ARG 38 15.283 17.024 4.914 314 HB2 ARG 38 HB2 ARG 38 16.348 16.864 7.093 315 HB3 ARG 38 HB3 ARG 38 17.383 17.767 5.978 316 HG2 ARG 38 HG2 ARG 38 16.636 19.890 6.973 317 HG3 ARG 38 HG3 ARG 38 15.562 19.014 8.087 318 HD2 ARG 38 HD2 ARG 38 18.592 18.738 7.939 319 HD3 ARG 38 HD3 ARG 38 17.698 19.671 9.147 320 HE ARG 38 HE ARG 38 16.690 17.567 9.948 321 HH11 ARG 38 HH11 ARG 38 19.600 17.300 7.958 322 HH12 ARG 38 HH12 ARG 38 20.005 15.711 8.570 323 HH21 ARG 38 HH21 ARG 38 17.239 15.500 10.717 324 HH22 ARG 38 HH22 ARG 38 18.674 14.701 10.119 325 H GLN 39 H GLN 39 13.688 19.902 5.858 326 HA GLN 39 HA GLN 39 11.958 18.700 7.876 327 HB2 GLN 39 HB2 GLN 39 12.565 21.045 7.989 328 HB3 GLN 39 HB3 GLN 39 11.951 21.327 6.351 329 HG2 GLN 39 HG2 GLN 39 9.664 20.865 7.078 330 HG3 GLN 39 HG3 GLN 39 10.224 20.446 8.701 331 HE21 GLN 39 HE21 GLN 39 8.285 22.482 8.061 332 HE22 GLN 39 HE22 GLN 39 8.953 24.015 8.582 333 H PHE 40 H PHE 40 11.928 19.223 4.378 334 HA PHE 40 HA PHE 40 9.293 17.898 4.288 335 HB2 PHE 40 HB2 PHE 40 10.118 20.355 2.766 336 HB3 PHE 40 HB3 PHE 40 8.748 19.346 2.307 337 HD1 PHE 40 HD1 PHE 40 9.564 22.250 3.960 338 HD2 PHE 40 HD2 PHE 40 7.175 18.713 4.501 339 HE1 PHE 40 HE1 PHE 40 8.095 23.486 5.517 340 HE2 PHE 40 HE2 PHE 40 5.728 19.942 6.098 341 HZ PHE 40 HZ PHE 40 6.188 22.323 6.608 342 H ASN 41 H ASN 41 12.264 17.160 3.694 343 HA ASN 41 HA ASN 41 13.425 15.876 2.263 344 HB2 ASN 41 HB2 ASN 41 10.686 14.811 1.518 345 HB3 ASN 41 HB3 ASN 41 12.228 14.012 1.185 346 HD21 ASN 41 HD21 ASN 41 10.100 12.864 2.710 347 HD22 ASN 41 HD22 ASN 41 10.682 12.643 4.352 348 H CYS 42 H CYS 42 12.164 18.517 1.256 349 HA CYS 42 HA CYS 42 12.121 18.098 -1.650 350 HB2 CYS 42 HB2 CYS 42 11.446 20.465 -1.665 351 HB3 CYS 42 HB3 CYS 42 10.461 19.540 -0.509 352 HG CYS 42 HG CYS 42 13.077 21.486 -0.009 353 H VAL 43 H VAL 43 13.271 20.084 -2.806 354 HA VAL 43 HA VAL 43 15.956 20.618 -1.634 355 HB VAL 43 HB VAL 43 15.309 19.733 -4.476 356 HG11 VAL 43 HG11 VAL 43 17.922 20.773 -3.312 357 HG12 VAL 43 HG12 VAL 43 17.736 20.035 -4.920 358 HG13 VAL 43 HG13 VAL 43 16.934 21.566 -4.570 359 HG21 VAL 43 HG21 VAL 43 15.568 17.878 -2.887 360 HG22 VAL 43 HG22 VAL 43 16.957 17.953 -3.985 361 HG23 VAL 43 HG23 VAL 43 17.114 18.560 -2.321 362 H ILE 44 H ILE 44 16.706 22.745 -2.104 363 HA ILE 44 HA ILE 44 14.798 24.486 -3.576 364 HB ILE 44 HB ILE 44 15.999 25.020 -0.842 365 HG12 ILE 44 HG12 ILE 44 13.115 24.620 -1.734 366 HG13 ILE 44 HG13 ILE 44 14.093 23.458 -0.816 367 HG21 ILE 44 HG21 ILE 44 14.187 26.769 -2.561 368 HG22 ILE 44 HG22 ILE 44 14.768 27.152 -0.929 369 HG23 ILE 44 HG23 ILE 44 15.916 27.067 -2.270 370 HD11 ILE 44 HD11 ILE 44 13.220 26.210 0.139 371 HD12 ILE 44 HD12 ILE 44 12.633 24.637 0.705 372 HD13 ILE 44 HD13 ILE 44 14.315 25.115 1.024 373 H THR 45 H THR 45 15.709 26.137 -4.725 374 HA THR 45 HA THR 45 18.619 26.471 -4.529 375 HB THR 45 HB THR 45 17.462 26.169 -7.266 376 HG1 THR 45 HG1 THR 45 18.084 24.016 -7.184 377 HG21 THR 45 HG21 THR 45 20.231 25.760 -6.055 378 HG22 THR 45 HG22 THR 45 19.801 25.567 -7.769 379 HG23 THR 45 HG23 THR 45 19.698 27.168 -7.011 380 H VAL 46 H VAL 46 19.030 28.487 -4.080 381 HA VAL 46 HA VAL 46 17.359 30.635 -5.157 382 HB VAL 46 HB VAL 46 19.929 30.773 -3.537 383 HG11 VAL 46 HG11 VAL 46 17.793 32.855 -4.176 384 HG12 VAL 46 HG12 VAL 46 19.120 33.081 -3.025 385 HG13 VAL 46 HG13 VAL 46 19.478 32.858 -4.752 386 HG21 VAL 46 HG21 VAL 46 18.124 29.611 -2.317 387 HG22 VAL 46 HG22 VAL 46 18.421 31.225 -1.638 388 HG23 VAL 46 HG23 VAL 46 17.011 30.954 -2.682 389 H HIS 47 H HIS 47 18.031 32.217 -6.674 390 HA HIS 47 HA HIS 47 20.406 31.465 -8.304 391 HB2 HIS 47 HB2 HIS 47 17.554 32.012 -9.147 392 HB3 HIS 47 HB3 HIS 47 18.921 32.181 -10.264 393 HD1 HIS 47 HD1 HIS 47 20.422 29.816 -10.600 394 HD2 HIS 47 HD2 HIS 47 16.569 29.588 -8.906 395 HE1 HIS 47 HE1 HIS 47 19.677 27.374 -10.817 396 HE2 HIS 47 HE2 HIS 47 17.318 27.249 -9.802 397 H THR 48 H THR 48 21.167 33.188 -6.643 398 HA THR 48 HA THR 48 20.456 35.879 -7.109 399 HB THR 48 HB THR 48 22.143 36.522 -5.704 400 HG1 THR 48 HG1 THR 48 24.056 35.340 -5.475 401 HG21 THR 48 HG21 THR 48 22.304 34.892 -3.890 402 HG22 THR 48 HG22 THR 48 20.659 34.889 -4.552 403 HG23 THR 48 HG23 THR 48 21.800 33.579 -4.968 404 H GLU 49 H GLU 49 22.090 33.794 -9.174 405 HA GLU 49 HA GLU 49 23.662 35.713 -10.636 406 HB2 GLU 49 HB2 GLU 49 23.742 33.930 -12.329 407 HB3 GLU 49 HB3 GLU 49 24.036 33.287 -10.705 408 HG2 GLU 49 HG2 GLU 49 21.520 32.729 -10.624 409 HG3 GLU 49 HG3 GLU 49 21.504 33.053 -12.365 410 H VAL 50 H VAL 50 20.412 35.648 -10.065 411 HA VAL 50 HA VAL 50 19.813 37.074 -12.581 412 HB VAL 50 HB VAL 50 17.767 35.398 -11.139 413 HG11 VAL 50 HG11 VAL 50 17.922 36.539 -13.958 414 HG12 VAL 50 HG12 VAL 50 16.606 35.529 -13.325 415 HG13 VAL 50 HG13 VAL 50 16.891 37.133 -12.634 416 HG21 VAL 50 HG21 VAL 50 18.068 33.678 -12.903 417 HG22 VAL 50 HG22 VAL 50 19.520 34.534 -13.470 418 HG23 VAL 50 HG23 VAL 50 19.474 33.822 -11.832 419 H GLN 51 H GLN 51 18.545 38.907 -12.427 420 HA GLN 51 HA GLN 51 17.215 39.567 -9.915 421 HB2 GLN 51 HB2 GLN 51 19.481 40.220 -9.351 422 HB3 GLN 51 HB3 GLN 51 19.647 41.133 -10.865 423 HG2 GLN 51 HG2 GLN 51 17.896 42.697 -10.159 424 HG3 GLN 51 HG3 GLN 51 17.588 41.740 -8.702 425 HE21 GLN 51 HE21 GLN 51 18.054 44.290 -8.172 426 HE22 GLN 51 HE22 GLN 51 19.690 44.552 -7.592 427 H SER 52 H SER 52 15.322 40.324 -10.604 428 HA SER 52 HA SER 52 15.072 41.618 -13.231 429 HB2 SER 52 HB2 SER 52 13.411 39.956 -12.403 430 HB3 SER 52 HB3 SER 52 12.976 41.070 -11.090 431 HG SER 52 HG SER 52 11.645 41.236 -13.008 432 H SER 53 H SER 53 13.660 43.659 -13.312 433 HA SER 53 HA SER 53 14.923 45.780 -11.890 434 HB2 SER 53 HB2 SER 53 13.891 46.011 -14.109 435 HB3 SER 53 HB3 SER 53 12.291 45.698 -13.414 436 HG SER 53 HG SER 53 12.516 47.590 -12.195 437 H PHE 54 H PHE 54 12.527 43.547 -10.895 438 HA PHE 54 HA PHE 54 11.032 45.191 -9.098 439 HB2 PHE 54 HB2 PHE 54 11.560 42.205 -9.128 440 HB3 PHE 54 HB3 PHE 54 10.412 43.010 -8.066 441 HD1 PHE 54 HD1 PHE 54 10.729 41.290 -11.074 442 HD2 PHE 54 HD2 PHE 54 8.694 44.637 -9.328 443 HE1 PHE 54 HE1 PHE 54 8.961 41.114 -12.817 444 HE2 PHE 54 HE2 PHE 54 6.915 44.462 -11.061 445 HZ PHE 54 HZ PHE 54 7.047 42.700 -12.805 446 H GLY 55 H GLY 55 14.282 44.148 -8.929 447 HA2 GLY 55 HA2 GLY 55 15.845 44.493 -7.249 448 HA3 GLY 55 HA3 GLY 55 14.574 45.179 -6.218 449 H ALA 56 H ALA 56 14.512 41.971 -7.807 450 HA ALA 56 HA ALA 56 14.727 40.672 -5.148 451 HB1 ALA 56 HB1 ALA 56 12.505 40.306 -7.192 452 HB2 ALA 56 HB2 ALA 56 12.728 39.318 -5.732 453 HB3 ALA 56 HB3 ALA 56 12.354 41.051 -5.579 454 H THR 57 H THR 57 14.983 38.344 -5.256 455 HA THR 57 HA THR 57 16.528 37.444 -7.667 456 HB THR 57 HB THR 57 16.839 37.087 -4.669 457 HG1 THR 57 HG1 THR 57 18.947 37.723 -5.193 458 HG21 THR 57 HG21 THR 57 16.975 34.822 -5.560 459 HG22 THR 57 HG22 THR 57 18.096 35.362 -6.836 460 HG23 THR 57 HG23 THR 57 18.596 35.402 -5.129 461 HA PRO 58 HA PRO 58 13.201 34.418 -7.572 462 HB2 PRO 58 HB2 PRO 58 13.936 32.858 -9.662 463 HB3 PRO 58 HB3 PRO 58 13.400 34.550 -9.894 464 HG2 PRO 58 HG2 PRO 58 16.240 33.509 -9.741 465 HG3 PRO 58 HG3 PRO 58 15.531 34.628 -10.953 466 HD2 PRO 58 HD2 PRO 58 16.958 35.470 -8.741 467 HD3 PRO 58 HD3 PRO 58 15.645 36.438 -9.465 468 H VAL 59 H VAL 59 12.852 32.228 -7.014 469 HA VAL 59 HA VAL 59 15.190 30.601 -6.254 470 HB VAL 59 HB VAL 59 12.861 31.021 -4.361 471 HG11 VAL 59 HG11 VAL 59 15.575 29.689 -4.030 472 HG12 VAL 59 HG12 VAL 59 14.372 29.938 -2.745 473 HG13 VAL 59 HG13 VAL 59 13.994 28.872 -4.106 474 HG21 VAL 59 HG21 VAL 59 14.097 33.134 -4.495 475 HG22 VAL 59 HG22 VAL 59 14.429 32.312 -2.959 476 HG23 VAL 59 HG23 VAL 59 15.634 32.265 -4.267 477 H GLU 60 H GLU 60 14.829 28.368 -6.292 478 HA GLU 60 HA GLU 60 12.227 27.523 -7.508 479 HB2 GLU 60 HB2 GLU 60 15.064 26.611 -8.043 480 HB3 GLU 60 HB3 GLU 60 13.633 25.736 -8.625 481 HG2 GLU 60 HG2 GLU 60 12.898 27.651 -9.915 482 HG3 GLU 60 HG3 GLU 60 14.191 28.659 -9.250 483 H ILE 61 H ILE 61 11.494 25.415 -7.014 484 HA ILE 61 HA ILE 61 12.715 24.095 -4.653 485 HB ILE 61 HB ILE 61 9.765 24.754 -4.953 486 HG12 ILE 61 HG12 ILE 61 11.830 25.935 -3.054 487 HG13 ILE 61 HG13 ILE 61 11.063 26.766 -4.424 488 HG21 ILE 61 HG21 ILE 61 9.519 23.804 -2.703 489 HG22 ILE 61 HG22 ILE 61 10.165 22.605 -3.812 490 HG23 ILE 61 HG23 ILE 61 11.254 23.416 -2.659 491 HD11 ILE 61 HD11 ILE 61 9.652 25.752 -1.933 492 HD12 ILE 61 HD12 ILE 61 9.949 27.438 -2.398 493 HD13 ILE 61 HD13 ILE 61 8.845 26.439 -3.372 494 H VAL 62 H VAL 62 12.417 21.870 -4.591 495 HA VAL 62 HA VAL 62 10.829 20.600 -6.741 496 HB VAL 62 HB VAL 62 13.723 19.912 -6.089 497 HG11 VAL 62 HG11 VAL 62 13.504 18.329 -7.989 498 HG12 VAL 62 HG12 VAL 62 12.410 17.922 -6.651 499 HG13 VAL 62 HG13 VAL 62 11.776 18.731 -8.107 500 HG21 VAL 62 HG21 VAL 62 14.180 20.588 -8.426 501 HG22 VAL 62 HG22 VAL 62 12.492 21.132 -8.585 502 HG23 VAL 62 HG23 VAL 62 13.601 21.951 -7.453 503 H ALA 63 H ALA 63 9.809 18.715 -6.084 504 HA ALA 63 HA ALA 63 10.685 17.323 -3.663 505 HB1 ALA 63 HB1 ALA 63 7.990 18.730 -3.717 506 HB2 ALA 63 HB2 ALA 63 8.612 17.680 -2.423 507 HB3 ALA 63 HB3 ALA 63 9.389 19.246 -2.750 508 H GLN 64 H GLN 64 9.121 15.483 -3.154 509 HA GLN 64 HA GLN 64 8.746 13.988 -5.585 510 HB2 GLN 64 HB2 GLN 64 7.830 13.379 -2.737 511 HB3 GLN 64 HB3 GLN 64 7.928 12.238 -4.082 512 HG2 GLN 64 HG2 GLN 64 9.865 11.824 -2.829 513 HG3 GLN 64 HG3 GLN 64 10.421 12.768 -4.216 514 HE21 GLN 64 HE21 GLN 64 12.338 13.214 -2.832 515 HE22 GLN 64 HE22 GLN 64 12.235 14.488 -1.635 516 H ASN 65 H ASN 65 6.671 16.101 -3.715 517 HA ASN 65 HA ASN 65 4.435 15.588 -5.508 518 HB2 ASN 65 HB2 ASN 65 2.893 14.830 -3.704 519 HB3 ASN 65 HB3 ASN 65 4.206 13.692 -4.028 520 HD21 ASN 65 HD21 ASN 65 4.613 12.689 -2.123 521 HD22 ASN 65 HD22 ASN 65 4.976 13.527 -0.627 522 H LYS 66 H LYS 66 2.486 16.955 -4.861 523 HA LYS 66 HA LYS 66 3.406 19.650 -4.361 524 HB2 LYS 66 HB2 LYS 66 0.620 18.450 -4.605 525 HB3 LYS 66 HB3 LYS 66 0.977 20.184 -4.541 526 HG2 LYS 66 HG2 LYS 66 2.328 20.018 -6.590 527 HG3 LYS 66 HG3 LYS 66 2.085 18.266 -6.643 528 HD2 LYS 66 HD2 LYS 66 0.587 19.384 -8.215 529 HD3 LYS 66 HD3 LYS 66 -0.346 18.591 -6.925 530 HE2 LYS 66 HE2 LYS 66 -0.598 20.768 -5.774 531 HE3 LYS 66 HE3 LYS 66 0.379 21.549 -7.029 532 HZ1 LYS 66 HZ1 LYS 66 -1.309 20.922 -8.626 533 HZ2 LYS 66 HZ2 LYS 66 -2.205 20.206 -7.451 534 HZ3 LYS 66 HZ3 LYS 66 -1.960 21.832 -7.427 535 H GLU 67 H GLU 67 2.077 17.100 -2.342 536 HA GLU 67 HA GLU 67 1.145 18.777 -0.217 537 HB2 GLU 67 HB2 GLU 67 1.916 15.829 -0.300 538 HB3 GLU 67 HB3 GLU 67 1.206 16.653 1.090 539 HG2 GLU 67 HG2 GLU 67 -0.642 15.710 0.075 540 HG3 GLU 67 HG3 GLU 67 -0.695 17.392 -0.447 541 H GLN 68 H GLN 68 4.277 18.346 -1.310 542 HA GLN 68 HA GLN 68 5.349 19.146 1.358 543 HB2 GLN 68 HB2 GLN 68 6.605 17.252 -0.657 544 HB3 GLN 68 HB3 GLN 68 7.427 17.902 0.772 545 HG2 GLN 68 HG2 GLN 68 5.967 16.753 2.267 546 HG3 GLN 68 HG3 GLN 68 4.829 16.334 0.969 547 HE21 GLN 68 HE21 GLN 68 8.418 16.093 0.828 548 HE22 GLN 68 HE22 GLN 68 8.436 14.360 0.593 549 H CYS 69 H CYS 69 5.309 19.557 -2.175 550 HA CYS 69 HA CYS 69 7.618 21.300 -2.239 551 HB2 CYS 69 HB2 CYS 69 6.490 19.971 -4.163 552 HB3 CYS 69 HB3 CYS 69 5.283 21.274 -4.195 553 HG CYS 69 HG CYS 69 6.870 23.208 -4.608 554 H GLN 70 H GLN 70 4.073 21.710 -1.840 555 HA GLN 70 HA GLN 70 4.155 24.602 -1.975 556 HB2 GLN 70 HB2 GLN 70 2.099 22.654 -0.856 557 HB3 GLN 70 HB3 GLN 70 1.838 24.393 -1.043 558 HG2 GLN 70 HG2 GLN 70 2.511 22.485 -3.333 559 HG3 GLN 70 HG3 GLN 70 0.871 22.977 -2.898 560 HE21 GLN 70 HE21 GLN 70 1.616 23.442 -5.439 561 HE22 GLN 70 HE22 GLN 70 1.922 25.146 -5.708 562 H GLU 71 H GLU 71 4.543 22.187 0.595 563 HA GLU 71 HA GLU 71 4.120 24.082 2.740 564 HB2 GLU 71 HB2 GLU 71 5.564 21.405 2.730 565 HB3 GLU 71 HB3 GLU 71 5.000 22.284 4.159 566 HG2 GLU 71 HG2 GLU 71 3.219 21.179 1.942 567 HG3 GLU 71 HG3 GLU 71 3.482 20.434 3.522 568 H ALA 72 H ALA 72 6.904 22.984 0.822 569 HA ALA 72 HA ALA 72 8.846 24.354 2.492 570 HB1 ALA 72 HB1 ALA 72 10.390 23.783 0.644 571 HB2 ALA 72 HB2 ALA 72 9.418 22.379 1.126 572 HB3 ALA 72 HB3 ALA 72 9.005 23.275 -0.354 573 H ARG 73 H ARG 73 6.703 25.228 -0.127 574 HA ARG 73 HA ARG 73 8.074 27.668 -0.904 575 HB2 ARG 73 HB2 ARG 73 6.669 26.672 -2.531 576 HB3 ARG 73 HB3 ARG 73 5.355 26.422 -1.379 577 HG2 ARG 73 HG2 ARG 73 4.789 28.202 -2.922 578 HG3 ARG 73 HG3 ARG 73 4.910 28.830 -1.274 579 HD2 ARG 73 HD2 ARG 73 7.213 29.655 -1.777 580 HD3 ARG 73 HD3 ARG 73 7.045 29.058 -3.435 581 HE ARG 73 HE ARG 73 5.898 31.479 -2.297 582 HH11 ARG 73 HH11 ARG 73 5.469 28.998 -4.742 583 HH12 ARG 73 HH12 ARG 73 4.497 30.005 -5.796 584 HH21 ARG 73 HH21 ARG 73 4.594 32.799 -3.664 585 HH22 ARG 73 HH22 ARG 73 3.999 32.153 -5.172 586 H ASN 74 H ASN 74 5.168 26.924 1.059 587 HA ASN 74 HA ASN 74 4.794 29.664 1.876 588 HB2 ASN 74 HB2 ASN 74 3.671 26.996 2.773 589 HB3 ASN 74 HB3 ASN 74 3.230 28.520 3.566 590 HD21 ASN 74 HD21 ASN 74 2.691 26.465 0.831 591 HD22 ASN 74 HD22 ASN 74 1.560 27.512 -0.001 592 H ALA 75 H ALA 75 7.013 27.241 2.904 593 HA ALA 75 HA ALA 75 7.339 28.328 5.596 594 HB1 ALA 75 HB1 ALA 75 8.943 26.292 3.994 595 HB2 ALA 75 HB2 ALA 75 9.191 26.676 5.714 596 HB3 ALA 75 HB3 ALA 75 7.667 25.938 5.188 597 H VAL 76 H VAL 76 8.191 29.517 2.584 598 HA VAL 76 HA VAL 76 10.660 30.787 3.684 599 HB VAL 76 HB VAL 76 10.049 29.898 0.840 600 HG11 VAL 76 HG11 VAL 76 12.470 31.357 1.978 601 HG12 VAL 76 HG12 VAL 76 12.409 30.587 0.376 602 HG13 VAL 76 HG13 VAL 76 11.356 31.959 0.721 603 HG21 VAL 76 HG21 VAL 76 10.710 28.083 2.413 604 HG22 VAL 76 HG22 VAL 76 11.958 28.388 1.188 605 HG23 VAL 76 HG23 VAL 76 12.164 29.011 2.839 606 H MET 77 H MET 77 7.465 31.289 2.514 607 HA MET 77 HA MET 77 8.073 34.009 1.559 608 HB2 MET 77 HB2 MET 77 5.511 32.383 1.638 609 HB3 MET 77 HB3 MET 77 5.628 34.033 0.995 610 HG2 MET 77 HG2 MET 77 7.289 31.676 0.037 611 HG3 MET 77 HG3 MET 77 5.825 32.260 -0.765 612 HE1 MET 77 HE1 MET 77 9.302 31.976 -1.316 613 HE2 MET 77 HE2 MET 77 8.110 31.926 -2.636 614 HE3 MET 77 HE3 MET 77 9.413 33.142 -2.657 615 H SER 78 H SER 78 7.652 32.714 4.597 616 HA SER 78 HA SER 78 7.056 35.372 5.656 617 HB2 SER 78 HB2 SER 78 4.779 34.576 5.269 618 HB3 SER 78 HB3 SER 78 5.149 33.046 6.091 619 HG SER 78 HG SER 78 5.110 35.642 7.224 620 H LEU 79 H LEU 79 7.570 31.871 6.347 621 HA LEU 79 HA LEU 79 8.435 32.503 9.084 622 HB2 LEU 79 HB2 LEU 79 8.439 29.874 7.570 623 HB3 LEU 79 HB3 LEU 79 8.626 30.087 9.316 624 HG LEU 79 HG LEU 79 6.143 30.749 7.673 625 HD11 LEU 79 HD11 LEU 79 6.704 28.581 9.741 626 HD12 LEU 79 HD12 LEU 79 5.148 28.875 8.939 627 HD13 LEU 79 HD13 LEU 79 6.547 28.335 7.982 628 HD21 LEU 79 HD21 LEU 79 6.370 32.295 9.598 629 HD22 LEU 79 HD22 LEU 79 5.066 31.125 9.886 630 HD23 LEU 79 HD23 LEU 79 6.637 30.906 10.684 631 H MET 80 H MET 80 9.834 31.344 6.034 632 HA MET 80 HA MET 80 11.895 31.063 5.247 633 HB2 MET 80 HB2 MET 80 12.697 33.267 7.175 634 HB3 MET 80 HB3 MET 80 13.530 32.768 5.684 635 HG2 MET 80 HG2 MET 80 11.356 33.265 4.451 636 HG3 MET 80 HG3 MET 80 10.768 34.011 5.940 637 HE1 MET 80 HE1 MET 80 12.857 34.255 2.768 638 HE2 MET 80 HE2 MET 80 14.026 35.559 3.080 639 HE3 MET 80 HE3 MET 80 14.195 33.999 3.916 640 H GLN 81 H GLN 81 11.262 30.129 8.364 641 HA GLN 81 HA GLN 81 12.289 28.897 9.934 642 HB2 GLN 81 HB2 GLN 81 13.555 27.658 7.466 643 HB3 GLN 81 HB3 GLN 81 13.560 26.935 9.081 644 HG2 GLN 81 HG2 GLN 81 11.075 27.638 7.471 645 HG3 GLN 81 HG3 GLN 81 11.742 26.019 7.690 646 HE21 GLN 81 HE21 GLN 81 9.077 26.702 8.385 647 HE22 GLN 81 HE22 GLN 81 8.922 26.547 10.124 648 H SER 82 H SER 82 13.727 31.435 9.167 649 HA SER 82 HA SER 82 16.543 30.863 9.512 650 HB2 SER 82 HB2 SER 82 16.759 33.322 9.516 651 HB3 SER 82 HB3 SER 82 15.746 32.748 8.175 652 HG SER 82 HG SER 82 14.886 33.879 10.633 653 H HIS 83 H HIS 83 14.198 30.404 11.672 654 HA HIS 83 HA HIS 83 15.078 31.917 13.949 655 HB2 HIS 83 HB2 HIS 83 13.393 29.400 13.833 656 HB3 HIS 83 HB3 HIS 83 13.500 30.546 15.178 657 HD1 HIS 83 HD1 HIS 83 12.837 33.257 14.140 658 HD2 HIS 83 HD2 HIS 83 11.251 29.744 12.454 659 HE1 HIS 83 HE1 HIS 83 10.714 33.958 12.872 660 HE2 HIS 83 HE2 HIS 83 9.755 31.808 11.838 661 H GLN 84 H GLN 84 17.045 29.988 12.442 662 HA GLN 84 HA GLN 84 17.718 27.929 14.339 663 HB2 GLN 84 HB2 GLN 84 19.475 29.204 12.201 664 HB3 GLN 84 HB3 GLN 84 19.679 27.609 12.935 665 HG2 GLN 84 HG2 GLN 84 17.419 28.518 11.111 666 HG3 GLN 84 HG3 GLN 84 18.697 27.370 10.714 667 HE21 GLN 84 HE21 GLN 84 15.698 27.102 10.753 668 HE22 GLN 84 HE22 GLN 84 15.399 25.690 11.746 669 H ASP 85 H ASP 85 18.201 31.325 14.336 670 HA ASP 85 HA ASP 85 19.424 32.734 15.531 671 HB2 ASP 85 HB2 ASP 85 19.162 30.518 17.542 672 HB3 ASP 85 HB3 ASP 85 19.929 32.065 17.923 673 H LYS 86 H LYS 86 21.004 30.691 13.866 674 HA LYS 86 HA LYS 86 23.628 31.741 14.725 675 HB2 LYS 86 HB2 LYS 86 23.076 28.797 14.196 676 HB3 LYS 86 HB3 LYS 86 24.672 29.525 14.425 677 HG2 LYS 86 HG2 LYS 86 23.992 30.257 16.706 678 HG3 LYS 86 HG3 LYS 86 22.422 29.444 16.484 679 HD2 LYS 86 HD2 LYS 86 23.579 27.291 16.124 680 HD3 LYS 86 HD3 LYS 86 25.144 28.082 16.387 681 HE2 LYS 86 HE2 LYS 86 22.862 27.922 18.407 682 HE3 LYS 86 HE3 LYS 86 24.324 26.917 18.422 683 HZ1 LYS 86 HZ1 LYS 86 24.519 28.769 19.912 684 HZ2 LYS 86 HZ2 LYS 86 25.615 28.914 18.696 685 HZ3 LYS 86 HZ3 LYS 86 24.261 29.849 18.702 Start of MODEL 7 1 H1 SER 1 H SER 1 24.212 1.639 -10.721 2 HA SER 1 HA SER 1 22.717 -0.024 -8.819 3 HB2 SER 1 HB2 SER 1 23.986 1.167 -7.089 4 HB3 SER 1 HB3 SER 1 25.082 0.296 -8.172 5 HG SER 1 HG SER 1 25.744 2.475 -7.781 6 H GLY 2 H GLY 2 21.628 1.443 -7.137 7 HA2 GLY 2 HA2 GLY 2 20.300 3.233 -6.573 8 HA3 GLY 2 HA3 GLY 2 20.913 4.126 -7.978 9 H SER 3 H SER 3 19.813 1.059 -8.972 10 HA SER 3 HA SER 3 17.635 2.164 -10.451 11 HB2 SER 3 HB2 SER 3 17.201 -0.186 -11.079 12 HB3 SER 3 HB3 SER 3 18.916 0.234 -11.223 13 HG SER 3 HG SER 3 17.685 -1.161 -9.073 14 H HIS 4 H HIS 4 15.410 1.882 -10.242 15 HA HIS 4 HA HIS 4 14.259 0.589 -7.898 16 HB2 HIS 4 HB2 HIS 4 13.160 2.703 -7.097 17 HB3 HIS 4 HB3 HIS 4 14.893 2.621 -6.809 18 HD1 HIS 4 HD1 HIS 4 16.453 4.131 -8.584 19 HD2 HIS 4 HD2 HIS 4 12.295 4.807 -8.458 20 HE1 HIS 4 HE1 HIS 4 16.047 6.403 -9.702 21 HE2 HIS 4 HE2 HIS 4 13.515 6.805 -9.623 22 H MET 5 H MET 5 11.961 0.435 -8.025 23 HA MET 5 HA MET 5 10.992 0.628 -10.800 24 HB2 MET 5 HB2 MET 5 9.142 -0.797 -9.982 25 HB3 MET 5 HB3 MET 5 10.740 -1.474 -9.645 26 HG2 MET 5 HG2 MET 5 9.469 -1.838 -7.695 27 HG3 MET 5 HG3 MET 5 10.564 -0.520 -7.301 28 HE1 MET 5 HE1 MET 5 9.228 0.075 -5.164 29 HE2 MET 5 HE2 MET 5 7.469 0.302 -5.108 30 HE3 MET 5 HE3 MET 5 8.143 -1.299 -5.489 31 H LYS 6 H LYS 6 10.902 2.574 -8.016 32 HA LYS 6 HA LYS 6 8.205 3.591 -8.277 33 HB2 LYS 6 HB2 LYS 6 10.665 4.739 -6.891 34 HB3 LYS 6 HB3 LYS 6 8.999 5.319 -6.691 35 HG2 LYS 6 HG2 LYS 6 8.330 3.048 -5.878 36 HG3 LYS 6 HG3 LYS 6 10.031 2.551 -5.961 37 HD2 LYS 6 HD2 LYS 6 8.918 4.813 -4.252 38 HD3 LYS 6 HD3 LYS 6 9.396 3.208 -3.670 39 HE2 LYS 6 HE2 LYS 6 11.722 3.628 -4.442 40 HE3 LYS 6 HE3 LYS 6 11.242 5.239 -4.994 41 HZ1 LYS 6 HZ1 LYS 6 12.239 5.299 -2.819 42 HZ2 LYS 6 HZ2 LYS 6 10.670 5.780 -2.731 43 HZ3 LYS 6 HZ3 LYS 6 11.100 4.284 -2.211 44 H THR 7 H THR 7 7.805 5.943 -8.655 45 HA THR 7 HA THR 7 8.616 6.596 -11.283 46 HB THR 7 HB THR 7 7.119 8.293 -11.284 47 HG1 THR 7 HG1 THR 7 6.546 9.420 -9.408 48 HG21 THR 7 HG21 THR 7 5.995 6.151 -10.619 49 HG22 THR 7 HG22 THR 7 6.120 6.652 -8.915 50 HG23 THR 7 HG23 THR 7 5.141 7.604 -10.057 51 H CYS 8 H CYS 8 9.462 8.611 -12.088 52 HA CYS 8 HA CYS 8 11.678 9.652 -10.380 53 HB2 CYS 8 HB2 CYS 8 11.619 9.160 -13.387 54 HB3 CYS 8 HB3 CYS 8 12.917 9.997 -12.509 55 HG CYS 8 HG CYS 8 11.795 6.911 -12.171 56 H VAL 9 H VAL 9 8.722 10.447 -11.691 57 HA VAL 9 HA VAL 9 9.315 13.087 -12.642 58 HB VAL 9 HB VAL 9 7.336 11.731 -13.317 59 HG11 VAL 9 HG11 VAL 9 6.262 12.534 -10.572 60 HG12 VAL 9 HG12 VAL 9 5.348 11.740 -11.871 61 HG13 VAL 9 HG13 VAL 9 6.685 10.880 -11.079 62 HG21 VAL 9 HG21 VAL 9 5.794 13.618 -13.402 63 HG22 VAL 9 HG22 VAL 9 6.671 14.442 -12.102 64 HG23 VAL 9 HG23 VAL 9 7.457 14.181 -13.681 65 H VAL 10 H VAL 10 8.936 15.104 -11.660 66 HA VAL 10 HA VAL 10 8.480 15.130 -8.741 67 HB VAL 10 HB VAL 10 10.419 16.505 -8.303 68 HG11 VAL 10 HG11 VAL 10 11.267 14.005 -9.829 69 HG12 VAL 10 HG12 VAL 10 12.197 14.861 -8.583 70 HG13 VAL 10 HG13 VAL 10 10.688 14.037 -8.147 71 HG21 VAL 10 HG21 VAL 10 12.173 16.838 -10.013 72 HG22 VAL 10 HG22 VAL 10 11.128 16.094 -11.237 73 HG23 VAL 10 HG23 VAL 10 10.655 17.633 -10.474 74 H GLU 11 H GLU 11 7.880 17.144 -7.899 75 HA GLU 11 HA GLU 11 6.488 18.867 -9.829 76 HB2 GLU 11 HB2 GLU 11 6.532 18.689 -6.796 77 HB3 GLU 11 HB3 GLU 11 5.590 19.892 -7.687 78 HG2 GLU 11 HG2 GLU 11 5.321 16.871 -8.056 79 HG3 GLU 11 HG3 GLU 11 4.263 17.874 -7.050 80 H LYS 12 H LYS 12 6.588 21.234 -9.576 81 HA LYS 12 HA LYS 12 9.105 22.294 -8.465 82 HB2 LYS 12 HB2 LYS 12 8.410 22.187 -11.385 83 HB3 LYS 12 HB3 LYS 12 9.203 23.643 -10.754 84 HG2 LYS 12 HG2 LYS 12 11.007 22.293 -9.798 85 HG3 LYS 12 HG3 LYS 12 10.269 20.808 -10.456 86 HD2 LYS 12 HD2 LYS 12 10.540 21.654 -12.738 87 HD3 LYS 12 HD3 LYS 12 11.166 23.204 -12.112 88 HE2 LYS 12 HE2 LYS 12 13.063 22.015 -11.067 89 HE3 LYS 12 HE3 LYS 12 12.443 20.473 -11.675 90 HZ1 LYS 12 HZ1 LYS 12 12.732 21.323 -13.911 91 HZ2 LYS 12 HZ2 LYS 12 13.310 22.747 -13.335 92 HZ3 LYS 12 HZ3 LYS 12 14.159 21.363 -13.090 93 H ILE 13 H ILE 13 9.151 24.433 -8.044 94 HA ILE 13 HA ILE 13 6.806 26.134 -8.587 95 HB ILE 13 HB ILE 13 7.824 25.355 -5.835 96 HG12 ILE 13 HG12 ILE 13 5.047 25.502 -7.098 97 HG13 ILE 13 HG13 ILE 13 5.965 24.035 -6.729 98 HG21 ILE 13 HG21 ILE 13 6.120 27.775 -6.533 99 HG22 ILE 13 HG22 ILE 13 6.513 27.209 -4.889 100 HG23 ILE 13 HG23 ILE 13 7.796 27.823 -5.920 101 HD11 ILE 13 HD11 ILE 13 4.367 24.315 -4.968 102 HD12 ILE 13 HD12 ILE 13 5.956 24.738 -4.291 103 HD13 ILE 13 HD13 ILE 13 4.797 26.016 -4.734 104 H LYS 14 H LYS 14 7.337 28.355 -8.539 105 HA LYS 14 HA LYS 14 10.148 29.062 -7.949 106 HB2 LYS 14 HB2 LYS 14 10.102 28.572 -10.353 107 HB3 LYS 14 HB3 LYS 14 8.720 29.659 -10.570 108 HG2 LYS 14 HG2 LYS 14 10.098 31.582 -9.819 109 HG3 LYS 14 HG3 LYS 14 11.485 30.489 -9.595 110 HD2 LYS 14 HD2 LYS 14 11.367 29.901 -12.018 111 HD3 LYS 14 HD3 LYS 14 10.026 31.058 -12.210 112 HE2 LYS 14 HE2 LYS 14 11.501 32.887 -11.425 113 HE3 LYS 14 HE3 LYS 14 12.834 31.733 -11.245 114 HZ1 LYS 14 HZ1 LYS 14 12.967 32.899 -13.325 115 HZ2 LYS 14 HZ2 LYS 14 12.691 31.302 -13.604 116 HZ3 LYS 14 HZ3 LYS 14 11.471 32.387 -13.775 117 H GLN 15 H GLN 15 10.382 31.071 -7.061 118 HA GLN 15 HA GLN 15 8.300 33.083 -7.315 119 HB2 GLN 15 HB2 GLN 15 7.250 31.649 -5.651 120 HB3 GLN 15 HB3 GLN 15 8.726 31.646 -4.671 121 HG2 GLN 15 HG2 GLN 15 7.002 33.197 -3.782 122 HG3 GLN 15 HG3 GLN 15 8.482 34.047 -4.240 123 HE21 GLN 15 HE21 GLN 15 7.721 36.061 -4.814 124 HE22 GLN 15 HE22 GLN 15 6.524 36.341 -6.061 125 H TRP 16 H TRP 16 8.932 35.116 -6.568 126 HA TRP 16 HA TRP 16 11.840 35.464 -6.236 127 HB2 TRP 16 HB2 TRP 16 9.588 37.473 -6.615 128 HB3 TRP 16 HB3 TRP 16 11.314 37.809 -6.698 129 HD1 TRP 16 HD1 TRP 16 8.586 35.888 -8.605 130 HE1 TRP 16 HE1 TRP 16 9.259 35.628 -11.054 131 HE3 TRP 16 HE3 TRP 16 13.252 37.965 -8.377 132 HZ2 TRP 16 HZ2 TRP 16 11.533 36.264 -12.720 133 HZ3 TRP 16 HZ3 TRP 16 14.633 38.156 -10.418 134 HH2 TRP 16 HH2 TRP 16 13.796 37.297 -12.586 135 H ILE 17 H ILE 17 12.788 36.458 -4.466 136 HA ILE 17 HA ILE 17 11.013 37.481 -2.329 137 HB ILE 17 HB ILE 17 12.098 36.420 -0.614 138 HG12 ILE 17 HG12 ILE 17 14.496 35.896 -2.390 139 HG13 ILE 17 HG13 ILE 17 14.354 37.139 -1.130 140 HG21 ILE 17 HG21 ILE 17 10.915 34.737 -2.003 141 HG22 ILE 17 HG22 ILE 17 12.467 34.330 -2.781 142 HG23 ILE 17 HG23 ILE 17 12.235 34.053 -1.040 143 HD11 ILE 17 HD11 ILE 17 14.330 34.132 -0.721 144 HD12 ILE 17 HD12 ILE 17 15.570 35.286 -0.198 145 HD13 ILE 17 HD13 ILE 17 13.958 35.322 0.550 146 HA PRO 18 HA PRO 18 13.500 41.056 -2.923 147 HB2 PRO 18 HB2 PRO 18 13.539 42.183 -0.402 148 HB3 PRO 18 HB3 PRO 18 12.102 42.193 -1.478 149 HG2 PRO 18 HG2 PRO 18 12.751 40.221 0.742 150 HG3 PRO 18 HG3 PRO 18 11.216 41.119 0.471 151 HD2 PRO 18 HD2 PRO 18 11.508 38.573 -0.379 152 HD3 PRO 18 HD3 PRO 18 10.701 39.775 -1.437 153 H THR 19 H THR 19 15.666 41.580 -2.905 154 HA THR 19 HA THR 19 17.405 39.550 -2.080 155 HB THR 19 HB THR 19 18.478 42.257 -2.712 156 HG1 THR 19 HG1 THR 19 18.039 41.805 -4.884 157 HG21 THR 19 HG21 THR 19 19.203 39.411 -3.541 158 HG22 THR 19 HG22 THR 19 20.052 40.885 -4.069 159 HG23 THR 19 HG23 THR 19 20.066 40.414 -2.358 160 H THR 20 H THR 20 16.161 42.031 -0.131 161 HA THR 20 HA THR 20 18.406 42.097 1.681 162 HB THR 20 HB THR 20 17.301 43.660 2.917 163 HG1 THR 20 HG1 THR 20 15.051 43.847 2.931 164 HG21 THR 20 HG21 THR 20 15.956 43.956 0.188 165 HG22 THR 20 HG22 THR 20 16.269 45.242 1.368 166 HG23 THR 20 HG23 THR 20 17.629 44.444 0.557 167 H GLU 21 H GLU 21 15.941 39.822 1.191 168 HA GLU 21 HA GLU 21 16.198 38.826 3.992 169 HB2 GLU 21 HB2 GLU 21 14.210 38.072 1.821 170 HB3 GLU 21 HB3 GLU 21 14.201 37.508 3.501 171 HG2 GLU 21 HG2 GLU 21 13.848 40.407 2.639 172 HG3 GLU 21 HG3 GLU 21 12.540 39.285 3.040 173 H VAL 22 H VAL 22 17.394 38.323 0.814 174 HA VAL 22 HA VAL 22 17.599 35.470 0.794 175 HB VAL 22 HB VAL 22 19.334 37.625 -0.478 176 HG11 VAL 22 HG11 VAL 22 19.981 35.847 -2.088 177 HG12 VAL 22 HG12 VAL 22 20.566 35.503 -0.451 178 HG13 VAL 22 HG13 VAL 22 19.135 34.646 -1.083 179 HG21 VAL 22 HG21 VAL 22 17.084 35.929 -1.641 180 HG22 VAL 22 HG22 VAL 22 16.914 37.629 -1.156 181 HG23 VAL 22 HG23 VAL 22 18.003 37.186 -2.489 182 H GLY 23 H GLY 23 19.321 37.977 2.546 183 HA2 GLY 23 HA2 GLY 23 21.728 36.521 3.080 184 HA3 GLY 23 HA3 GLY 23 21.092 37.904 3.999 185 H LYS 24 H LYS 24 18.481 36.111 4.272 186 HA LYS 24 HA LYS 24 19.382 34.791 6.752 187 HB2 LYS 24 HB2 LYS 24 16.632 35.182 5.527 188 HB3 LYS 24 HB3 LYS 24 16.959 34.437 7.110 189 HG2 LYS 24 HG2 LYS 24 17.986 36.512 7.918 190 HG3 LYS 24 HG3 LYS 24 17.783 37.265 6.322 191 HD2 LYS 24 HD2 LYS 24 15.341 37.034 6.502 192 HD3 LYS 24 HD3 LYS 24 15.517 36.286 8.105 193 HE2 LYS 24 HE2 LYS 24 16.529 38.325 8.988 194 HE3 LYS 24 HE3 LYS 24 16.571 39.052 7.374 195 HZ1 LYS 24 HZ1 LYS 24 14.209 39.026 7.329 196 HZ2 LYS 24 HZ2 LYS 24 14.114 38.315 8.814 197 HZ3 LYS 24 HZ3 LYS 24 14.711 39.844 8.660 198 H ILE 25 H ILE 25 18.575 33.965 3.436 199 HA ILE 25 HA ILE 25 18.080 31.146 4.104 200 HB ILE 25 HB ILE 25 18.330 32.541 1.412 201 HG12 ILE 25 HG12 ILE 25 15.884 31.866 3.101 202 HG13 ILE 25 HG13 ILE 25 16.455 33.482 2.649 203 HG21 ILE 25 HG21 ILE 25 17.229 30.502 0.539 204 HG22 ILE 25 HG22 ILE 25 18.748 30.099 1.336 205 HG23 ILE 25 HG23 ILE 25 17.208 29.814 2.179 206 HD11 ILE 25 HD11 ILE 25 16.124 32.849 0.234 207 HD12 ILE 25 HD12 ILE 25 15.346 31.348 0.783 208 HD13 ILE 25 HD13 ILE 25 14.621 32.908 1.201 209 H LEU 26 H LEU 26 20.730 33.195 2.923 210 HA LEU 26 HA LEU 26 22.391 30.742 2.495 211 HB2 LEU 26 HB2 LEU 26 22.559 33.402 1.042 212 HB3 LEU 26 HB3 LEU 26 23.475 31.932 0.672 213 HG LEU 26 HG LEU 26 20.446 32.232 0.413 214 HD11 LEU 26 HD11 LEU 26 20.958 32.155 -2.015 215 HD12 LEU 26 HD12 LEU 26 21.713 33.562 -1.237 216 HD13 LEU 26 HD13 LEU 26 22.697 32.135 -1.647 217 HD21 LEU 26 HD21 LEU 26 22.357 29.993 -0.381 218 HD22 LEU 26 HD22 LEU 26 21.146 29.924 0.926 219 HD23 LEU 26 HD23 LEU 26 20.620 30.058 -0.760 220 H GLY 27 H GLY 27 22.113 33.670 4.283 221 HA2 GLY 27 HA2 GLY 27 24.947 34.284 4.421 222 HA3 GLY 27 HA3 GLY 27 23.649 35.059 5.340 223 H ASN 28 H ASN 28 23.633 31.621 5.570 224 HA ASN 28 HA ASN 28 25.237 31.615 8.049 225 HB2 ASN 28 HB2 ASN 28 23.323 30.410 9.204 226 HB3 ASN 28 HB3 ASN 28 23.084 32.128 8.887 227 HD21 ASN 28 HD21 ASN 28 20.795 31.780 9.101 228 HD22 ASN 28 HD22 ASN 28 19.882 31.135 7.749 229 H ARG 29 H ARG 29 26.150 30.591 5.724 230 HA ARG 29 HA ARG 29 26.775 28.750 4.569 231 HB2 ARG 29 HB2 ARG 29 26.349 27.310 7.214 232 HB3 ARG 29 HB3 ARG 29 27.303 26.723 5.840 233 HG2 ARG 29 HG2 ARG 29 28.814 28.680 6.043 234 HG3 ARG 29 HG3 ARG 29 27.871 29.269 7.427 235 HD2 ARG 29 HD2 ARG 29 29.838 28.098 8.238 236 HD3 ARG 29 HD3 ARG 29 28.381 27.185 8.660 237 HE ARG 29 HE ARG 29 30.193 26.511 6.362 238 HH11 ARG 29 HH11 ARG 29 28.080 25.482 9.015 239 HH12 ARG 29 HH12 ARG 29 28.344 23.784 8.708 240 HH21 ARG 29 HH21 ARG 29 30.495 24.296 5.982 241 HH22 ARG 29 HH22 ARG 29 29.692 23.116 6.989 242 H ALA 30 H ALA 30 24.012 29.530 4.582 243 HA ALA 30 HA ALA 30 21.996 28.926 3.904 244 HB1 ALA 30 HB1 ALA 30 21.837 27.235 2.146 245 HB2 ALA 30 HB2 ALA 30 23.264 28.261 1.924 246 HB3 ALA 30 HB3 ALA 30 23.453 26.618 2.582 247 H ALA 31 H ALA 31 22.829 27.898 6.559 248 HA ALA 31 HA ALA 31 21.887 25.272 6.998 249 HB1 ALA 31 HB1 ALA 31 23.250 26.567 8.590 250 HB2 ALA 31 HB2 ALA 31 21.910 27.713 8.816 251 HB3 ALA 31 HB3 ALA 31 21.743 26.022 9.355 252 H VAL 32 H VAL 32 20.126 28.312 6.547 253 HA VAL 32 HA VAL 32 17.612 27.376 7.695 254 HB VAL 32 HB VAL 32 18.627 29.706 6.057 255 HG11 VAL 32 HG11 VAL 32 16.549 29.222 4.879 256 HG12 VAL 32 HG12 VAL 32 15.683 29.022 6.421 257 HG13 VAL 32 HG13 VAL 32 16.304 30.621 5.936 258 HG21 VAL 32 HG21 VAL 32 16.940 29.457 8.585 259 HG22 VAL 32 HG22 VAL 32 18.706 29.668 8.548 260 HG23 VAL 32 HG23 VAL 32 17.648 30.960 7.942 261 H LYS 33 H LYS 33 19.143 27.461 4.421 262 HA LYS 33 HA LYS 33 16.743 26.510 3.099 263 HB2 LYS 33 HB2 LYS 33 18.656 27.820 2.049 264 HB3 LYS 33 HB3 LYS 33 19.620 26.330 2.120 265 HG2 LYS 33 HG2 LYS 33 17.889 25.167 0.750 266 HG3 LYS 33 HG3 LYS 33 16.938 26.665 0.703 267 HD2 LYS 33 HD2 LYS 33 18.139 26.592 -1.357 268 HD3 LYS 33 HD3 LYS 33 18.944 27.806 -0.351 269 HE2 LYS 33 HE2 LYS 33 20.648 26.463 -1.396 270 HE3 LYS 33 HE3 LYS 33 20.614 26.029 0.319 271 HZ1 LYS 33 HZ1 LYS 33 20.707 24.088 -1.065 272 HZ2 LYS 33 HZ2 LYS 33 19.247 24.110 -0.306 273 HZ3 LYS 33 HZ3 LYS 33 19.350 24.521 -1.882 274 H LYS 34 H LYS 34 19.707 25.015 4.392 275 HA LYS 34 HA LYS 34 19.182 22.376 3.399 276 HB2 LYS 34 HB2 LYS 34 20.930 23.448 5.639 277 HB3 LYS 34 HB3 LYS 34 20.942 21.760 5.099 278 HG2 LYS 34 HG2 LYS 34 21.686 22.381 2.886 279 HG3 LYS 34 HG3 LYS 34 21.422 24.105 3.211 280 HD2 LYS 34 HD2 LYS 34 23.162 24.079 4.944 281 HD3 LYS 34 HD3 LYS 34 23.450 22.348 4.654 282 HE2 LYS 34 HE2 LYS 34 24.127 22.801 2.351 283 HE3 LYS 34 HE3 LYS 34 23.724 24.520 2.536 284 HZ1 LYS 34 HZ1 LYS 34 26.067 24.124 2.792 285 HZ2 LYS 34 HZ2 LYS 34 25.427 24.715 4.182 286 HZ3 LYS 34 HZ3 LYS 34 25.807 23.114 4.062 287 H HIS 35 H HIS 35 18.062 24.110 6.291 288 HA HIS 35 HA HIS 35 17.271 21.705 7.710 289 HB2 HIS 35 HB2 HIS 35 17.633 23.767 8.931 290 HB3 HIS 35 HB3 HIS 35 16.442 24.621 7.936 291 HD1 HIS 35 HD1 HIS 35 16.490 21.714 10.528 292 HD2 HIS 35 HD2 HIS 35 13.959 24.598 8.774 293 HE1 HIS 35 HE1 HIS 35 14.243 21.588 11.778 294 HE2 HIS 35 HE2 HIS 35 12.719 23.345 10.692 295 H ILE 36 H ILE 36 15.601 24.025 5.523 296 HA ILE 36 HA ILE 36 13.010 22.845 5.930 297 HB ILE 36 HB ILE 36 14.165 24.745 3.872 298 HG12 ILE 36 HG12 ILE 36 12.240 25.111 6.206 299 HG13 ILE 36 HG13 ILE 36 13.971 25.481 6.243 300 HG21 ILE 36 HG21 ILE 36 11.259 23.888 4.248 301 HG22 ILE 36 HG22 ILE 36 11.829 25.185 3.165 302 HG23 ILE 36 HG23 ILE 36 12.274 23.513 2.830 303 HD11 ILE 36 HD11 ILE 36 12.748 27.529 5.877 304 HD12 ILE 36 HD12 ILE 36 13.652 27.126 4.406 305 HD13 ILE 36 HD13 ILE 36 11.892 26.829 4.485 306 H GLU 37 H GLU 37 15.712 22.148 3.741 307 HA GLU 37 HA GLU 37 14.226 20.470 1.942 308 HB2 GLU 37 HB2 GLU 37 17.153 20.633 2.713 309 HB3 GLU 37 HB3 GLU 37 16.534 19.554 1.441 310 HG2 GLU 37 HG2 GLU 37 15.635 21.438 0.192 311 HG3 GLU 37 HG3 GLU 37 16.062 22.564 1.471 312 H ARG 38 H ARG 38 15.650 19.938 5.152 313 HA ARG 38 HA ARG 38 15.197 17.029 4.968 314 HB2 ARG 38 HB2 ARG 38 16.187 18.822 7.225 315 HB3 ARG 38 HB3 ARG 38 16.090 17.050 7.293 316 HG2 ARG 38 HG2 ARG 38 17.653 16.877 5.384 317 HG3 ARG 38 HG3 ARG 38 17.718 18.643 5.264 318 HD2 ARG 38 HD2 ARG 38 19.674 17.832 6.485 319 HD3 ARG 38 HD3 ARG 38 18.639 18.765 7.573 320 HE ARG 38 HE ARG 38 18.107 16.824 8.765 321 HH11 ARG 38 HH11 ARG 38 20.010 16.019 5.896 322 HH12 ARG 38 HH12 ARG 38 20.339 14.387 6.432 323 HH21 ARG 38 HH21 ARG 38 18.545 14.694 9.429 324 HH22 ARG 38 HH22 ARG 38 19.512 13.640 8.423 325 H GLN 39 H GLN 39 13.475 19.871 5.909 326 HA GLN 39 HA GLN 39 11.735 18.605 7.857 327 HB2 GLN 39 HB2 GLN 39 12.290 20.969 7.972 328 HB3 GLN 39 HB3 GLN 39 11.660 21.234 6.337 329 HG2 GLN 39 HG2 GLN 39 9.388 20.726 7.067 330 HG3 GLN 39 HG3 GLN 39 9.968 20.290 8.685 331 HE21 GLN 39 HE21 GLN 39 8.007 22.348 7.888 332 HE22 GLN 39 HE22 GLN 39 8.628 23.864 8.520 333 H PHE 40 H PHE 40 11.773 19.060 4.367 334 HA PHE 40 HA PHE 40 9.140 17.727 4.220 335 HB2 PHE 40 HB2 PHE 40 9.996 20.177 2.682 336 HB3 PHE 40 HB3 PHE 40 8.622 19.170 2.230 337 HD1 PHE 40 HD1 PHE 40 9.461 22.093 3.855 338 HD2 PHE 40 HD2 PHE 40 7.014 18.595 4.385 339 HE1 PHE 40 HE1 PHE 40 7.995 23.359 5.391 340 HE2 PHE 40 HE2 PHE 40 5.574 19.848 5.965 341 HZ PHE 40 HZ PHE 40 6.055 22.236 6.466 342 H ASN 41 H ASN 41 12.180 17.123 3.667 343 HA ASN 41 HA ASN 41 13.408 15.865 2.264 344 HB2 ASN 41 HB2 ASN 41 11.568 14.268 2.920 345 HB3 ASN 41 HB3 ASN 41 10.769 14.646 1.388 346 HD21 ASN 41 HD21 ASN 41 10.956 12.577 0.506 347 HD22 ASN 41 HD22 ASN 41 12.497 11.863 0.071 348 H CYS 42 H CYS 42 12.067 18.451 1.248 349 HA CYS 42 HA CYS 42 12.014 18.032 -1.664 350 HB2 CYS 42 HB2 CYS 42 11.306 20.382 -1.680 351 HB3 CYS 42 HB3 CYS 42 10.353 19.471 -0.484 352 HG CYS 42 HG CYS 42 12.976 21.434 -0.063 353 H VAL 43 H VAL 43 13.131 20.053 -2.819 354 HA VAL 43 HA VAL 43 15.839 20.553 -1.694 355 HB VAL 43 HB VAL 43 15.152 19.756 -4.546 356 HG11 VAL 43 HG11 VAL 43 17.800 20.635 -3.318 357 HG12 VAL 43 HG12 VAL 43 17.601 19.957 -4.951 358 HG13 VAL 43 HG13 VAL 43 16.866 21.516 -4.551 359 HG21 VAL 43 HG21 VAL 43 15.292 17.839 -3.014 360 HG22 VAL 43 HG22 VAL 43 16.692 17.864 -4.102 361 HG23 VAL 43 HG23 VAL 43 16.865 18.409 -2.418 362 H ILE 44 H ILE 44 16.614 22.664 -2.132 363 HA ILE 44 HA ILE 44 14.740 24.456 -3.580 364 HB ILE 44 HB ILE 44 15.966 24.937 -0.847 365 HG12 ILE 44 HG12 ILE 44 13.067 24.641 -1.731 366 HG13 ILE 44 HG13 ILE 44 14.002 23.438 -0.828 367 HG21 ILE 44 HG21 ILE 44 14.792 27.113 -0.903 368 HG22 ILE 44 HG22 ILE 44 15.939 27.011 -2.239 369 HG23 ILE 44 HG23 ILE 44 14.208 26.767 -2.546 370 HD11 ILE 44 HD11 ILE 44 13.228 26.215 0.151 371 HD12 ILE 44 HD12 ILE 44 12.600 24.661 0.721 372 HD13 ILE 44 HD13 ILE 44 14.298 25.089 1.020 373 H THR 45 H THR 45 15.679 26.090 -4.726 374 HA THR 45 HA THR 45 18.590 26.416 -4.503 375 HB THR 45 HB THR 45 17.443 26.188 -7.252 376 HG1 THR 45 HG1 THR 45 16.955 24.255 -6.278 377 HG21 THR 45 HG21 THR 45 20.198 25.784 -6.024 378 HG22 THR 45 HG22 THR 45 19.794 25.579 -7.749 379 HG23 THR 45 HG23 THR 45 19.662 27.179 -6.996 380 H VAL 46 H VAL 46 19.100 28.409 -4.110 381 HA VAL 46 HA VAL 46 17.369 30.577 -5.036 382 HB VAL 46 HB VAL 46 19.990 30.737 -3.516 383 HG11 VAL 46 HG11 VAL 46 19.380 32.859 -4.585 384 HG12 VAL 46 HG12 VAL 46 17.720 32.727 -3.945 385 HG13 VAL 46 HG13 VAL 46 19.091 32.971 -2.842 386 HG21 VAL 46 HG21 VAL 46 18.554 31.028 -1.517 387 HG22 VAL 46 HG22 VAL 46 17.116 30.704 -2.506 388 HG23 VAL 46 HG23 VAL 46 18.328 29.429 -2.251 389 H HIS 47 H HIS 47 18.016 32.275 -6.443 390 HA HIS 47 HA HIS 47 20.329 31.634 -8.202 391 HB2 HIS 47 HB2 HIS 47 17.444 32.110 -8.979 392 HB3 HIS 47 HB3 HIS 47 18.785 32.332 -10.112 393 HD1 HIS 47 HD1 HIS 47 20.334 30.016 -10.523 394 HD2 HIS 47 HD2 HIS 47 16.528 29.662 -8.737 395 HE1 HIS 47 HE1 HIS 47 19.648 27.551 -10.743 396 HE2 HIS 47 HE2 HIS 47 17.309 27.362 -9.701 397 H THR 48 H THR 48 20.989 33.366 -6.451 398 HA THR 48 HA THR 48 20.224 36.033 -6.901 399 HB THR 48 HB THR 48 21.854 36.700 -5.466 400 HG1 THR 48 HG1 THR 48 23.834 35.640 -5.273 401 HG21 THR 48 HG21 THR 48 21.734 33.712 -4.819 402 HG22 THR 48 HG22 THR 48 22.130 35.031 -3.703 403 HG23 THR 48 HG23 THR 48 20.489 34.911 -4.349 404 H GLU 49 H GLU 49 21.934 34.029 -9.007 405 HA GLU 49 HA GLU 49 23.618 35.954 -10.311 406 HB2 GLU 49 HB2 GLU 49 23.703 34.206 -12.064 407 HB3 GLU 49 HB3 GLU 49 23.953 33.540 -10.434 408 HG2 GLU 49 HG2 GLU 49 21.456 32.981 -10.403 409 HG3 GLU 49 HG3 GLU 49 21.418 33.406 -12.120 410 H VAL 50 H VAL 50 20.182 35.452 -10.268 411 HA VAL 50 HA VAL 50 19.771 36.695 -12.898 412 HB VAL 50 HB VAL 50 17.752 35.856 -10.801 413 HG11 VAL 50 HG11 VAL 50 17.465 36.540 -13.754 414 HG12 VAL 50 HG12 VAL 50 16.184 35.818 -12.758 415 HG13 VAL 50 HG13 VAL 50 16.781 37.438 -12.374 416 HG21 VAL 50 HG21 VAL 50 19.080 33.919 -11.578 417 HG22 VAL 50 HG22 VAL 50 17.427 33.837 -12.216 418 HG23 VAL 50 HG23 VAL 50 18.761 34.369 -13.267 419 H GLN 51 H GLN 51 18.722 38.644 -13.238 420 HA GLN 51 HA GLN 51 18.121 40.361 -10.908 421 HB2 GLN 51 HB2 GLN 51 19.906 41.220 -13.221 422 HB3 GLN 51 HB3 GLN 51 19.278 42.268 -11.936 423 HG2 GLN 51 HG2 GLN 51 20.461 40.865 -10.246 424 HG3 GLN 51 HG3 GLN 51 21.163 39.904 -11.560 425 HE21 GLN 51 HE21 GLN 51 23.048 40.869 -10.053 426 HE22 GLN 51 HE22 GLN 51 23.799 42.306 -10.720 427 H SER 52 H SER 52 16.232 41.337 -11.181 428 HA SER 52 HA SER 52 15.257 41.956 -13.919 429 HB2 SER 52 HB2 SER 52 14.358 39.726 -13.314 430 HB3 SER 52 HB3 SER 52 13.642 40.434 -11.841 431 HG SER 52 HG SER 52 12.176 40.332 -13.619 432 H SER 53 H SER 53 13.252 43.337 -13.813 433 HA SER 53 HA SER 53 13.795 45.634 -12.212 434 HB2 SER 53 HB2 SER 53 11.735 46.511 -13.216 435 HB3 SER 53 HB3 SER 53 12.732 45.697 -14.443 436 HG SER 53 HG SER 53 10.519 45.094 -14.553 437 H PHE 54 H PHE 54 12.343 42.700 -11.319 438 HA PHE 54 HA PHE 54 10.333 43.649 -9.522 439 HB2 PHE 54 HB2 PHE 54 11.984 41.104 -9.482 440 HB3 PHE 54 HB3 PHE 54 10.565 41.413 -8.486 441 HD1 PHE 54 HD1 PHE 54 11.616 39.744 -11.285 442 HD2 PHE 54 HD2 PHE 54 8.457 42.348 -10.004 443 HE1 PHE 54 HE1 PHE 54 10.155 38.852 -13.090 444 HE2 PHE 54 HE2 PHE 54 6.991 41.462 -11.802 445 HZ PHE 54 HZ PHE 54 7.833 39.719 -13.342 446 H GLY 55 H GLY 55 13.791 43.767 -9.361 447 HA2 GLY 55 HA2 GLY 55 15.213 44.487 -7.693 448 HA3 GLY 55 HA3 GLY 55 13.788 45.067 -6.797 449 H ALA 56 H ALA 56 14.266 41.721 -7.893 450 HA ALA 56 HA ALA 56 14.670 40.800 -5.103 451 HB1 ALA 56 HB1 ALA 56 12.247 41.007 -5.421 452 HB2 ALA 56 HB2 ALA 56 12.344 40.055 -6.918 453 HB3 ALA 56 HB3 ALA 56 12.707 39.292 -5.355 454 H THR 57 H THR 57 14.971 38.409 -5.018 455 HA THR 57 HA THR 57 16.518 37.431 -7.393 456 HB THR 57 HB THR 57 16.726 37.119 -4.380 457 HG1 THR 57 HG1 THR 57 17.983 38.683 -5.416 458 HG21 THR 57 HG21 THR 57 17.946 35.279 -6.476 459 HG22 THR 57 HG22 THR 57 18.409 35.332 -4.756 460 HG23 THR 57 HG23 THR 57 16.778 34.812 -5.217 461 HA PRO 58 HA PRO 58 13.127 34.452 -7.392 462 HB2 PRO 58 HB2 PRO 58 13.853 32.953 -9.515 463 HB3 PRO 58 HB3 PRO 58 13.310 34.650 -9.705 464 HG2 PRO 58 HG2 PRO 58 16.153 33.605 -9.598 465 HG3 PRO 58 HG3 PRO 58 15.435 34.757 -10.771 466 HD2 PRO 58 HD2 PRO 58 16.878 35.544 -8.551 467 HD3 PRO 58 HD3 PRO 58 15.549 36.525 -9.231 468 H VAL 59 H VAL 59 12.781 32.260 -6.881 469 HA VAL 59 HA VAL 59 15.120 30.609 -6.177 470 HB VAL 59 HB VAL 59 12.790 30.970 -4.273 471 HG11 VAL 59 HG11 VAL 59 14.313 29.845 -2.687 472 HG12 VAL 59 HG12 VAL 59 13.956 28.825 -4.088 473 HG13 VAL 59 HG13 VAL 59 15.521 29.665 -3.977 474 HG21 VAL 59 HG21 VAL 59 14.017 33.095 -4.348 475 HG22 VAL 59 HG22 VAL 59 14.370 32.238 -2.838 476 HG23 VAL 59 HG23 VAL 59 15.559 32.231 -4.162 477 H GLU 60 H GLU 60 14.746 28.357 -6.208 478 HA GLU 60 HA GLU 60 12.172 27.540 -7.484 479 HB2 GLU 60 HB2 GLU 60 15.013 26.641 -8.040 480 HB3 GLU 60 HB3 GLU 60 13.580 25.797 -8.654 481 HG2 GLU 60 HG2 GLU 60 12.861 27.739 -9.894 482 HG3 GLU 60 HG3 GLU 60 14.142 28.738 -9.182 483 H ILE 61 H ILE 61 11.447 25.400 -7.043 484 HA ILE 61 HA ILE 61 12.694 24.064 -4.713 485 HB ILE 61 HB ILE 61 9.721 24.647 -4.947 486 HG12 ILE 61 HG12 ILE 61 11.794 26.016 -3.190 487 HG13 ILE 61 HG13 ILE 61 10.919 26.733 -4.561 488 HG21 ILE 61 HG21 ILE 61 11.369 23.483 -2.665 489 HG22 ILE 61 HG22 ILE 61 9.618 23.794 -2.638 490 HG23 ILE 61 HG23 ILE 61 10.273 22.573 -3.730 491 HD11 ILE 61 HD11 ILE 61 8.768 26.327 -3.371 492 HD12 ILE 61 HD12 ILE 61 9.698 25.786 -1.946 493 HD13 ILE 61 HD13 ILE 61 9.860 27.451 -2.529 494 H VAL 62 H VAL 62 12.354 21.829 -4.654 495 HA VAL 62 HA VAL 62 10.726 20.603 -6.801 496 HB VAL 62 HB VAL 62 13.585 19.785 -6.183 497 HG11 VAL 62 HG11 VAL 62 13.308 18.333 -8.172 498 HG12 VAL 62 HG12 VAL 62 12.180 17.899 -6.873 499 HG13 VAL 62 HG13 VAL 62 11.603 18.830 -8.278 500 HG21 VAL 62 HG21 VAL 62 12.443 21.217 -8.611 501 HG22 VAL 62 HG22 VAL 62 13.577 21.909 -7.428 502 HG23 VAL 62 HG23 VAL 62 14.097 20.571 -8.472 503 H ALA 63 H ALA 63 9.720 18.696 -6.229 504 HA ALA 63 HA ALA 63 10.512 17.237 -3.831 505 HB1 ALA 63 HB1 ALA 63 8.386 17.570 -2.645 506 HB2 ALA 63 HB2 ALA 63 9.213 19.128 -2.864 507 HB3 ALA 63 HB3 ALA 63 7.837 18.689 -3.906 508 H GLN 64 H GLN 64 8.965 15.356 -3.462 509 HA GLN 64 HA GLN 64 8.537 14.038 -5.983 510 HB2 GLN 64 HB2 GLN 64 9.266 12.882 -3.931 511 HB3 GLN 64 HB3 GLN 64 7.744 13.309 -3.137 512 HG2 GLN 64 HG2 GLN 64 7.643 11.003 -3.873 513 HG3 GLN 64 HG3 GLN 64 6.488 11.960 -4.799 514 HE21 GLN 64 HE21 GLN 64 6.607 10.072 -6.303 515 HE22 GLN 64 HE22 GLN 64 7.892 10.034 -7.489 516 H ASN 65 H ASN 65 6.508 16.038 -3.943 517 HA ASN 65 HA ASN 65 4.328 15.840 -5.869 518 HB2 ASN 65 HB2 ASN 65 2.640 15.268 -4.084 519 HB3 ASN 65 HB3 ASN 65 3.729 13.958 -4.539 520 HD21 ASN 65 HD21 ASN 65 3.492 12.811 -2.605 521 HD22 ASN 65 HD22 ASN 65 4.148 13.397 -1.090 522 H LYS 66 H LYS 66 2.523 17.378 -5.284 523 HA LYS 66 HA LYS 66 3.663 19.934 -4.645 524 HB2 LYS 66 HB2 LYS 66 0.748 19.074 -4.892 525 HB3 LYS 66 HB3 LYS 66 1.350 20.743 -4.892 526 HG2 LYS 66 HG2 LYS 66 2.651 20.255 -6.957 527 HG3 LYS 66 HG3 LYS 66 1.992 18.601 -6.963 528 HD2 LYS 66 HD2 LYS 66 -0.319 19.558 -7.038 529 HD3 LYS 66 HD3 LYS 66 0.378 21.183 -7.151 530 HE2 LYS 66 HE2 LYS 66 0.785 18.917 -9.145 531 HE3 LYS 66 HE3 LYS 66 -0.288 20.305 -9.362 532 HZ1 LYS 66 HZ1 LYS 66 1.683 21.727 -9.202 533 HZ2 LYS 66 HZ2 LYS 66 2.643 20.388 -9.158 534 HZ3 LYS 66 HZ3 LYS 66 1.743 20.697 -10.482 535 H GLU 67 H GLU 67 2.319 17.401 -2.714 536 HA GLU 67 HA GLU 67 1.341 19.027 -0.538 537 HB2 GLU 67 HB2 GLU 67 2.210 16.106 -0.606 538 HB3 GLU 67 HB3 GLU 67 1.246 16.868 0.666 539 HG2 GLU 67 HG2 GLU 67 0.407 16.577 -2.252 540 HG3 GLU 67 HG3 GLU 67 -0.129 15.548 -0.923 541 H GLN 68 H GLN 68 4.479 18.503 -1.648 542 HA GLN 68 HA GLN 68 5.580 19.197 1.039 543 HB2 GLN 68 HB2 GLN 68 6.728 17.426 -1.141 544 HB3 GLN 68 HB3 GLN 68 7.671 18.036 0.234 545 HG2 GLN 68 HG2 GLN 68 6.249 16.870 1.816 546 HG3 GLN 68 HG3 GLN 68 5.140 16.372 0.535 547 HE21 GLN 68 HE21 GLN 68 6.231 14.458 2.202 548 HE22 GLN 68 HE22 GLN 68 7.380 13.483 1.302 549 H CYS 69 H CYS 69 5.407 19.852 -2.424 550 HA CYS 69 HA CYS 69 7.747 21.562 -2.467 551 HB2 CYS 69 HB2 CYS 69 6.607 20.304 -4.422 552 HB3 CYS 69 HB3 CYS 69 5.380 21.584 -4.379 553 HG CYS 69 HG CYS 69 8.647 21.748 -4.832 554 H GLN 70 H GLN 70 4.198 22.015 -2.072 555 HA GLN 70 HA GLN 70 4.367 24.909 -2.029 556 HB2 GLN 70 HB2 GLN 70 2.209 22.975 -1.108 557 HB3 GLN 70 HB3 GLN 70 2.035 24.738 -1.173 558 HG2 GLN 70 HG2 GLN 70 2.472 24.698 -3.613 559 HG3 GLN 70 HG3 GLN 70 2.683 22.941 -3.561 560 HE21 GLN 70 HE21 GLN 70 0.895 23.509 -5.331 561 HE22 GLN 70 HE22 GLN 70 -0.744 23.333 -4.744 562 H GLU 71 H GLU 71 4.563 22.329 0.418 563 HA GLU 71 HA GLU 71 4.187 24.139 2.654 564 HB2 GLU 71 HB2 GLU 71 5.480 21.387 2.496 565 HB3 GLU 71 HB3 GLU 71 4.980 22.210 3.985 566 HG2 GLU 71 HG2 GLU 71 3.111 21.367 1.733 567 HG3 GLU 71 HG3 GLU 71 3.348 20.493 3.245 568 H ALA 72 H ALA 72 6.934 23.036 0.699 569 HA ALA 72 HA ALA 72 8.927 24.218 2.453 570 HB1 ALA 72 HB1 ALA 72 10.447 23.677 0.595 571 HB2 ALA 72 HB2 ALA 72 9.416 22.289 1.007 572 HB3 ALA 72 HB3 ALA 72 9.051 23.270 -0.436 573 H ARG 73 H ARG 73 6.880 25.322 -0.208 574 HA ARG 73 HA ARG 73 8.373 27.741 -0.790 575 HB2 ARG 73 HB2 ARG 73 6.713 26.840 -2.384 576 HB3 ARG 73 HB3 ARG 73 5.453 26.961 -1.150 577 HG2 ARG 73 HG2 ARG 73 6.036 29.517 -1.093 578 HG3 ARG 73 HG3 ARG 73 6.818 29.200 -2.655 579 HD2 ARG 73 HD2 ARG 73 4.663 28.222 -3.468 580 HD3 ARG 73 HD3 ARG 73 3.939 28.551 -1.884 581 HE ARG 73 HE ARG 73 3.768 30.808 -2.412 582 HH11 ARG 73 HH11 ARG 73 5.710 29.120 -4.791 583 HH12 ARG 73 HH12 ARG 73 5.688 30.433 -5.956 584 HH21 ARG 73 HH21 ARG 73 3.755 32.549 -3.921 585 HH22 ARG 73 HH22 ARG 73 4.604 32.390 -5.443 586 H ASN 74 H ASN 74 5.419 27.039 1.091 587 HA ASN 74 HA ASN 74 5.161 29.675 2.161 588 HB2 ASN 74 HB2 ASN 74 3.993 26.963 2.851 589 HB3 ASN 74 HB3 ASN 74 3.596 28.420 3.787 590 HD21 ASN 74 HD21 ASN 74 2.933 26.611 0.932 591 HD22 ASN 74 HD22 ASN 74 1.821 27.756 0.204 592 H ALA 75 H ALA 75 7.335 27.138 2.966 593 HA ALA 75 HA ALA 75 7.784 28.043 5.702 594 HB1 ALA 75 HB1 ALA 75 9.334 26.161 3.878 595 HB2 ALA 75 HB2 ALA 75 9.639 26.396 5.615 596 HB3 ALA 75 HB3 ALA 75 8.100 25.692 5.068 597 H VAL 76 H VAL 76 8.562 29.338 2.678 598 HA VAL 76 HA VAL 76 10.930 30.737 3.814 599 HB VAL 76 HB VAL 76 10.533 29.841 0.940 600 HG11 VAL 76 HG11 VAL 76 12.864 31.213 2.339 601 HG12 VAL 76 HG12 VAL 76 12.926 30.522 0.702 602 HG13 VAL 76 HG13 VAL 76 11.862 31.899 1.031 603 HG21 VAL 76 HG21 VAL 76 12.422 28.838 3.108 604 HG22 VAL 76 HG22 VAL 76 11.034 27.946 2.445 605 HG23 VAL 76 HG23 VAL 76 12.424 28.318 1.403 606 H MET 77 H MET 77 7.781 31.003 2.470 607 HA MET 77 HA MET 77 8.235 33.759 1.550 608 HB2 MET 77 HB2 MET 77 5.761 31.987 1.569 609 HB3 MET 77 HB3 MET 77 5.815 33.643 0.926 610 HG2 MET 77 HG2 MET 77 7.532 31.324 -0.024 611 HG3 MET 77 HG3 MET 77 6.121 31.960 -0.864 612 HE1 MET 77 HE1 MET 77 9.683 31.690 -1.159 613 HE2 MET 77 HE2 MET 77 8.529 31.561 -2.506 614 HE3 MET 77 HE3 MET 77 9.813 32.806 -2.539 615 H SER 78 H SER 78 7.774 32.393 4.562 616 HA SER 78 HA SER 78 7.015 35.007 5.625 617 HB2 SER 78 HB2 SER 78 4.807 34.112 5.129 618 HB3 SER 78 HB3 SER 78 5.199 32.590 5.955 619 HG SER 78 HG SER 78 5.002 35.161 7.125 620 H LEU 79 H LEU 79 7.682 31.529 6.293 621 HA LEU 79 HA LEU 79 8.351 32.175 9.085 622 HB2 LEU 79 HB2 LEU 79 8.624 29.565 7.554 623 HB3 LEU 79 HB3 LEU 79 8.722 29.777 9.307 624 HG LEU 79 HG LEU 79 6.261 30.264 7.561 625 HD11 LEU 79 HD11 LEU 79 5.354 28.330 8.777 626 HD12 LEU 79 HD12 LEU 79 6.829 27.894 7.889 627 HD13 LEU 79 HD13 LEU 79 6.898 28.149 9.651 628 HD21 LEU 79 HD21 LEU 79 6.282 31.824 9.466 629 HD22 LEU 79 HD22 LEU 79 5.079 30.556 9.734 630 HD23 LEU 79 HD23 LEU 79 6.650 30.479 10.577 631 H MET 80 H MET 80 10.087 31.088 6.148 632 HA MET 80 HA MET 80 12.278 30.941 5.640 633 HB2 MET 80 HB2 MET 80 12.553 33.457 7.310 634 HB3 MET 80 HB3 MET 80 13.577 32.927 5.961 635 HG2 MET 80 HG2 MET 80 11.499 32.959 4.505 636 HG3 MET 80 HG3 MET 80 10.645 33.726 5.845 637 HE1 MET 80 HE1 MET 80 14.241 34.184 4.145 638 HE2 MET 80 HE2 MET 80 13.005 34.026 2.881 639 HE3 MET 80 HE3 MET 80 13.846 35.572 3.100 640 H GLN 81 H GLN 81 11.424 29.555 8.118 641 HA GLN 81 HA GLN 81 12.209 28.476 9.901 642 HB2 GLN 81 HB2 GLN 81 13.517 27.370 8.241 643 HB3 GLN 81 HB3 GLN 81 14.747 28.627 8.266 644 HG2 GLN 81 HG2 GLN 81 15.461 26.563 9.414 645 HG3 GLN 81 HG3 GLN 81 15.514 27.956 10.465 646 HE21 GLN 81 HE21 GLN 81 15.507 26.416 12.253 647 HE22 GLN 81 HE22 GLN 81 14.003 25.689 12.780 648 H SER 82 H SER 82 12.491 31.575 9.765 649 HA SER 82 HA SER 82 14.572 32.139 11.716 650 HB2 SER 82 HB2 SER 82 13.762 34.411 11.578 651 HB3 SER 82 HB3 SER 82 13.811 33.741 9.937 652 HG SER 82 HG SER 82 11.584 33.417 10.064 653 H HIS 83 H HIS 83 11.388 30.879 11.907 654 HA HIS 83 HA HIS 83 10.568 32.067 14.384 655 HB2 HIS 83 HB2 HIS 83 8.879 30.289 14.403 656 HB3 HIS 83 HB3 HIS 83 8.964 31.119 12.855 657 HD1 HIS 83 HD1 HIS 83 7.597 28.543 12.472 658 HD2 HIS 83 HD2 HIS 83 11.798 28.795 12.658 659 HE1 HIS 83 HE1 HIS 83 8.515 26.438 11.316 660 HE2 HIS 83 HE2 HIS 83 11.067 26.616 11.433 661 H GLN 84 H GLN 84 10.111 30.716 16.360 662 HA GLN 84 HA GLN 84 10.908 29.702 18.196 663 HB2 GLN 84 HB2 GLN 84 11.948 27.661 16.202 664 HB3 GLN 84 HB3 GLN 84 11.731 27.396 17.940 665 HG2 GLN 84 HG2 GLN 84 9.312 27.862 17.718 666 HG3 GLN 84 HG3 GLN 84 9.519 28.111 15.976 667 HE21 GLN 84 HE21 GLN 84 7.702 26.304 16.426 668 HE22 GLN 84 HE22 GLN 84 8.299 24.666 16.246 669 H ASP 85 H ASP 85 12.745 31.646 16.758 670 HA ASP 85 HA ASP 85 15.407 30.745 17.302 671 HB2 ASP 85 HB2 ASP 85 15.196 32.302 15.575 672 HB3 ASP 85 HB3 ASP 85 14.170 33.364 16.537 673 H LYS 86 H LYS 86 13.018 31.686 19.416 674 HA LYS 86 HA LYS 86 14.969 32.047 21.602 675 HB2 LYS 86 HB2 LYS 86 12.654 33.959 21.083 676 HB3 LYS 86 HB3 LYS 86 13.734 33.975 22.490 677 HG2 LYS 86 HG2 LYS 86 15.669 34.407 20.988 678 HG3 LYS 86 HG3 LYS 86 14.552 34.472 19.600 679 HD2 LYS 86 HD2 LYS 86 13.346 36.360 20.644 680 HD3 LYS 86 HD3 LYS 86 14.420 36.272 22.055 681 HE2 LYS 86 HE2 LYS 86 15.152 38.064 20.571 682 HE3 LYS 86 HE3 LYS 86 16.366 36.780 20.607 683 HZ1 LYS 86 HZ1 LYS 86 14.342 37.139 18.494 684 HZ2 LYS 86 HZ2 LYS 86 15.925 37.560 18.378 685 HZ3 LYS 86 HZ3 LYS 86 15.506 35.984 18.509 Start of MODEL 8 1 H1 SER 1 H SER 1 9.408 4.492 -17.251 2 HA SER 1 HA SER 1 9.150 2.414 -16.130 3 HB2 SER 1 HB2 SER 1 8.039 1.237 -17.993 4 HB3 SER 1 HB3 SER 1 9.560 1.245 -18.908 5 HG SER 1 HG SER 1 9.001 -0.068 -16.456 6 H GLY 2 H GLY 2 11.021 1.185 -15.398 7 HA2 GLY 2 HA2 GLY 2 13.563 1.305 -16.653 8 HA3 GLY 2 HA3 GLY 2 13.435 2.631 -15.479 9 H SER 3 H SER 3 15.356 0.890 -14.925 10 HA SER 3 HA SER 3 14.505 -1.387 -13.346 11 HB2 SER 3 HB2 SER 3 16.900 -1.605 -12.871 12 HB3 SER 3 HB3 SER 3 16.647 -1.305 -14.600 13 HG SER 3 HG SER 3 18.294 0.025 -13.735 14 H HIS 4 H HIS 4 14.557 1.971 -12.703 15 HA HIS 4 HA HIS 4 15.402 1.883 -9.952 16 HB2 HIS 4 HB2 HIS 4 13.706 3.925 -11.433 17 HB3 HIS 4 HB3 HIS 4 14.500 4.168 -9.876 18 HD1 HIS 4 HD1 HIS 4 15.283 6.130 -12.120 19 HD2 HIS 4 HD2 HIS 4 17.185 2.440 -11.413 20 HE1 HIS 4 HE1 HIS 4 17.626 6.303 -13.163 21 HE2 HIS 4 HE2 HIS 4 18.777 4.051 -12.711 22 H MET 5 H MET 5 14.119 2.160 -8.097 23 HA MET 5 HA MET 5 11.644 0.612 -8.131 24 HB2 MET 5 HB2 MET 5 13.076 2.088 -5.885 25 HB3 MET 5 HB3 MET 5 11.739 0.940 -5.683 26 HG2 MET 5 HG2 MET 5 14.485 0.343 -6.838 27 HG3 MET 5 HG3 MET 5 13.895 -0.138 -5.246 28 HE1 MET 5 HE1 MET 5 11.214 -2.857 -6.072 29 HE2 MET 5 HE2 MET 5 12.077 -1.957 -4.808 30 HE3 MET 5 HE3 MET 5 10.902 -1.116 -5.853 31 H LYS 6 H LYS 6 12.333 3.853 -8.750 32 HA LYS 6 HA LYS 6 9.517 4.600 -8.492 33 HB2 LYS 6 HB2 LYS 6 10.383 5.089 -6.245 34 HB3 LYS 6 HB3 LYS 6 11.713 6.025 -6.942 35 HG2 LYS 6 HG2 LYS 6 10.153 7.698 -7.801 36 HG3 LYS 6 HG3 LYS 6 8.768 6.684 -7.340 37 HD2 LYS 6 HD2 LYS 6 9.080 8.473 -5.702 38 HD3 LYS 6 HD3 LYS 6 9.414 6.898 -4.960 39 HE2 LYS 6 HE2 LYS 6 11.859 7.283 -5.315 40 HE3 LYS 6 HE3 LYS 6 11.491 8.864 -6.021 41 HZ1 LYS 6 HZ1 LYS 6 10.892 8.006 -3.267 42 HZ2 LYS 6 HZ2 LYS 6 12.074 9.053 -3.711 43 HZ3 LYS 6 HZ3 LYS 6 10.494 9.470 -3.900 44 H THR 7 H THR 7 9.000 6.471 -9.745 45 HA THR 7 HA THR 7 10.632 6.732 -12.048 46 HB THR 7 HB THR 7 8.973 7.905 -13.037 47 HG1 THR 7 HG1 THR 7 7.498 9.186 -11.832 48 HG21 THR 7 HG21 THR 7 6.827 6.995 -12.372 49 HG22 THR 7 HG22 THR 7 8.064 5.739 -12.179 50 HG23 THR 7 HG23 THR 7 7.439 6.600 -10.747 51 H CYS 8 H CYS 8 11.424 8.633 -13.079 52 HA CYS 8 HA CYS 8 13.006 10.274 -11.252 53 HB2 CYS 8 HB2 CYS 8 13.993 11.144 -13.367 54 HB3 CYS 8 HB3 CYS 8 14.046 9.370 -13.249 55 HG CYS 8 HG CYS 8 11.957 11.327 -14.892 56 H VAL 9 H VAL 9 9.837 10.507 -12.153 57 HA VAL 9 HA VAL 9 9.718 13.260 -12.976 58 HB VAL 9 HB VAL 9 7.492 11.592 -11.791 59 HG11 VAL 9 HG11 VAL 9 7.529 13.953 -13.720 60 HG12 VAL 9 HG12 VAL 9 6.081 13.049 -13.226 61 HG13 VAL 9 HG13 VAL 9 6.980 13.992 -12.027 62 HG21 VAL 9 HG21 VAL 9 8.510 10.320 -13.628 63 HG22 VAL 9 HG22 VAL 9 6.945 10.987 -14.131 64 HG23 VAL 9 HG23 VAL 9 8.459 11.755 -14.672 65 H VAL 10 H VAL 10 9.240 15.105 -11.861 66 HA VAL 10 HA VAL 10 8.893 14.964 -8.947 67 HB VAL 10 HB VAL 10 10.704 16.421 -8.419 68 HG11 VAL 10 HG11 VAL 10 11.792 14.296 -10.304 69 HG12 VAL 10 HG12 VAL 10 12.666 15.100 -8.980 70 HG13 VAL 10 HG13 VAL 10 11.304 14.027 -8.605 71 HG21 VAL 10 HG21 VAL 10 11.295 16.520 -11.401 72 HG22 VAL 10 HG22 VAL 10 10.694 17.864 -10.403 73 HG23 VAL 10 HG23 VAL 10 12.318 17.213 -10.119 74 H GLU 11 H GLU 11 8.078 16.872 -7.995 75 HA GLU 11 HA GLU 11 6.613 18.636 -9.827 76 HB2 GLU 11 HB2 GLU 11 6.737 18.364 -6.803 77 HB3 GLU 11 HB3 GLU 11 5.749 19.577 -7.617 78 HG2 GLU 11 HG2 GLU 11 5.527 16.560 -8.036 79 HG3 GLU 11 HG3 GLU 11 4.469 17.541 -7.014 80 H LYS 12 H LYS 12 6.688 21.006 -9.503 81 HA LYS 12 HA LYS 12 9.234 22.037 -8.446 82 HB2 LYS 12 HB2 LYS 12 8.673 21.681 -11.308 83 HB3 LYS 12 HB3 LYS 12 9.001 23.369 -10.883 84 HG2 LYS 12 HG2 LYS 12 11.053 22.634 -9.655 85 HG3 LYS 12 HG3 LYS 12 10.788 20.983 -10.270 86 HD2 LYS 12 HD2 LYS 12 10.993 21.760 -12.573 87 HD3 LYS 12 HD3 LYS 12 11.037 23.450 -12.041 88 HE2 LYS 12 HE2 LYS 12 13.121 21.343 -11.355 89 HE3 LYS 12 HE3 LYS 12 13.291 22.595 -12.593 90 HZ1 LYS 12 HZ1 LYS 12 12.954 23.062 -9.702 91 HZ2 LYS 12 HZ2 LYS 12 14.329 23.279 -10.574 92 HZ3 LYS 12 HZ3 LYS 12 13.023 24.244 -10.838 93 H ILE 13 H ILE 13 9.296 24.203 -8.041 94 HA ILE 13 HA ILE 13 6.921 25.885 -8.533 95 HB ILE 13 HB ILE 13 8.057 25.169 -5.811 96 HG12 ILE 13 HG12 ILE 13 5.239 25.205 -6.980 97 HG13 ILE 13 HG13 ILE 13 6.213 23.770 -6.603 98 HG21 ILE 13 HG21 ILE 13 6.771 26.996 -4.834 99 HG22 ILE 13 HG22 ILE 13 7.961 27.637 -5.956 100 HG23 ILE 13 HG23 ILE 13 6.249 27.534 -6.450 101 HD11 ILE 13 HD11 ILE 13 4.673 24.034 -4.803 102 HD12 ILE 13 HD12 ILE 13 6.254 24.569 -4.181 103 HD13 ILE 13 HD13 ILE 13 5.018 25.765 -4.651 104 H LYS 14 H LYS 14 7.452 28.101 -8.568 105 HA LYS 14 HA LYS 14 10.299 28.813 -8.145 106 HB2 LYS 14 HB2 LYS 14 9.955 28.266 -10.550 107 HB3 LYS 14 HB3 LYS 14 8.697 29.515 -10.635 108 HG2 LYS 14 HG2 LYS 14 10.387 31.230 -9.967 109 HG3 LYS 14 HG3 LYS 14 11.623 29.951 -9.920 110 HD2 LYS 14 HD2 LYS 14 11.020 29.447 -12.355 111 HD3 LYS 14 HD3 LYS 14 10.024 30.908 -12.327 112 HE2 LYS 14 HE2 LYS 14 12.233 31.368 -13.287 113 HE3 LYS 14 HE3 LYS 14 12.033 32.256 -11.761 114 HZ1 LYS 14 HZ1 LYS 14 13.422 29.672 -12.014 115 HZ2 LYS 14 HZ2 LYS 14 14.186 31.130 -11.987 116 HZ3 LYS 14 HZ3 LYS 14 13.342 30.600 -10.671 117 H GLN 15 H GLN 15 10.550 30.790 -7.174 118 HA GLN 15 HA GLN 15 8.368 32.730 -7.181 119 HB2 GLN 15 HB2 GLN 15 7.551 31.150 -5.504 120 HB3 GLN 15 HB3 GLN 15 9.101 31.198 -4.656 121 HG2 GLN 15 HG2 GLN 15 7.366 32.599 -3.572 122 HG3 GLN 15 HG3 GLN 15 8.779 33.536 -4.077 123 HE21 GLN 15 HE21 GLN 15 7.876 35.545 -4.440 124 HE22 GLN 15 HE22 GLN 15 6.615 35.848 -5.617 125 H TRP 16 H TRP 16 8.957 34.747 -6.296 126 HA TRP 16 HA TRP 16 11.883 35.201 -6.229 127 HB2 TRP 16 HB2 TRP 16 9.565 37.144 -6.463 128 HB3 TRP 16 HB3 TRP 16 11.277 37.516 -6.679 129 HD1 TRP 16 HD1 TRP 16 8.444 35.577 -8.386 130 HE1 TRP 16 HE1 TRP 16 8.966 35.282 -10.868 131 HE3 TRP 16 HE3 TRP 16 13.131 37.613 -8.463 132 HZ2 TRP 16 HZ2 TRP 16 11.133 35.899 -12.680 133 HZ3 TRP 16 HZ3 TRP 16 14.383 37.775 -10.584 134 HH2 TRP 16 HH2 TRP 16 13.409 36.916 -12.695 135 H ILE 17 H ILE 17 12.864 36.391 -4.589 136 HA ILE 17 HA ILE 17 11.215 37.304 -2.306 137 HB ILE 17 HB ILE 17 13.116 36.586 -0.797 138 HG12 ILE 17 HG12 ILE 17 13.798 34.683 -3.076 139 HG13 ILE 17 HG13 ILE 17 14.744 36.124 -2.666 140 HG21 ILE 17 HG21 ILE 17 12.225 34.355 -0.453 141 HG22 ILE 17 HG22 ILE 17 10.903 35.446 -0.897 142 HG23 ILE 17 HG23 ILE 17 11.565 34.319 -2.106 143 HD11 ILE 17 HD11 ILE 17 14.232 33.760 -0.816 144 HD12 ILE 17 HD12 ILE 17 15.754 34.167 -1.631 145 HD13 ILE 17 HD13 ILE 17 15.113 35.243 -0.378 146 HA PRO 18 HA PRO 18 13.538 40.936 -3.172 147 HB2 PRO 18 HB2 PRO 18 13.607 42.204 -0.740 148 HB3 PRO 18 HB3 PRO 18 12.131 42.085 -1.754 149 HG2 PRO 18 HG2 PRO 18 12.941 40.298 0.557 150 HG3 PRO 18 HG3 PRO 18 11.357 41.099 0.287 151 HD2 PRO 18 HD2 PRO 18 11.753 38.514 -0.421 152 HD3 PRO 18 HD3 PRO 18 10.828 39.609 -1.498 153 H THR 19 H THR 19 15.710 41.472 -3.266 154 HA THR 19 HA THR 19 17.512 39.573 -2.262 155 HB THR 19 HB THR 19 18.522 42.204 -3.221 156 HG1 THR 19 HG1 THR 19 18.092 41.493 -5.308 157 HG21 THR 19 HG21 THR 19 20.143 40.435 -2.650 158 HG22 THR 19 HG22 THR 19 19.291 39.293 -3.715 159 HG23 THR 19 HG23 THR 19 20.125 40.718 -4.393 160 H THR 20 H THR 20 16.194 42.196 -0.596 161 HA THR 20 HA THR 20 18.424 42.466 1.226 162 HB THR 20 HB THR 20 17.349 44.193 2.228 163 HG1 THR 20 HG1 THR 20 15.103 44.440 2.198 164 HG21 THR 20 HG21 THR 20 16.020 44.172 -0.523 165 HG22 THR 20 HG22 THR 20 16.361 45.592 0.489 166 HG23 THR 20 HG23 THR 20 17.703 44.671 -0.208 167 H GLU 21 H GLU 21 16.088 40.121 0.902 168 HA GLU 21 HA GLU 21 16.275 39.421 3.800 169 HB2 GLU 21 HB2 GLU 21 14.073 38.714 1.826 170 HB3 GLU 21 HB3 GLU 21 14.123 38.276 3.536 171 HG2 GLU 21 HG2 GLU 21 13.973 41.118 2.462 172 HG3 GLU 21 HG3 GLU 21 12.623 40.159 3.084 173 H VAL 22 H VAL 22 17.395 38.563 0.724 174 HA VAL 22 HA VAL 22 17.245 35.711 0.798 175 HB VAL 22 HB VAL 22 19.265 37.663 -0.380 176 HG11 VAL 22 HG11 VAL 22 18.985 34.672 -0.858 177 HG12 VAL 22 HG12 VAL 22 19.963 35.780 -1.850 178 HG13 VAL 22 HG13 VAL 22 20.395 35.510 -0.154 179 HG21 VAL 22 HG21 VAL 22 16.917 37.732 -1.263 180 HG22 VAL 22 HG22 VAL 22 18.108 37.209 -2.480 181 HG23 VAL 22 HG23 VAL 22 17.063 36.012 -1.685 182 H GLY 23 H GLY 23 19.114 38.044 2.620 183 HA2 GLY 23 HA2 GLY 23 21.304 36.349 3.376 184 HA3 GLY 23 HA3 GLY 23 20.778 37.836 4.186 185 H LYS 24 H LYS 24 17.956 36.387 4.371 186 HA LYS 24 HA LYS 24 18.514 35.164 6.978 187 HB2 LYS 24 HB2 LYS 24 15.991 35.869 5.460 188 HB3 LYS 24 HB3 LYS 24 15.953 34.832 6.890 189 HG2 LYS 24 HG2 LYS 24 15.478 37.091 7.546 190 HG3 LYS 24 HG3 LYS 24 17.023 36.586 8.240 191 HD2 LYS 24 HD2 LYS 24 18.251 37.848 6.519 192 HD3 LYS 24 HD3 LYS 24 16.723 38.291 5.727 193 HE2 LYS 24 HE2 LYS 24 17.557 39.039 8.557 194 HE3 LYS 24 HE3 LYS 24 17.618 40.116 7.146 195 HZ1 LYS 24 HZ1 LYS 24 15.180 38.919 8.286 196 HZ2 LYS 24 HZ2 LYS 24 15.642 40.488 8.423 197 HZ3 LYS 24 HZ3 LYS 24 15.238 39.875 6.950 198 H ILE 25 H ILE 25 18.643 34.048 3.833 199 HA ILE 25 HA ILE 25 17.810 31.298 4.666 200 HB ILE 25 HB ILE 25 17.798 32.517 1.890 201 HG12 ILE 25 HG12 ILE 25 15.429 31.970 3.728 202 HG13 ILE 25 HG13 ILE 25 16.087 33.575 3.353 203 HG21 ILE 25 HG21 ILE 25 18.132 30.073 1.948 204 HG22 ILE 25 HG22 ILE 25 16.664 29.898 2.940 205 HG23 ILE 25 HG23 ILE 25 16.558 30.484 1.264 206 HD11 ILE 25 HD11 ILE 25 14.832 31.643 1.372 207 HD12 ILE 25 HD12 ILE 25 14.192 33.207 1.921 208 HD13 ILE 25 HD13 ILE 25 15.671 33.155 0.936 209 H LEU 26 H LEU 26 20.251 33.317 3.051 210 HA LEU 26 HA LEU 26 21.979 30.906 2.730 211 HB2 LEU 26 HB2 LEU 26 21.990 33.419 1.041 212 HB3 LEU 26 HB3 LEU 26 22.883 31.922 0.737 213 HG LEU 26 HG LEU 26 19.840 32.215 0.683 214 HD11 LEU 26 HD11 LEU 26 21.887 31.866 -1.547 215 HD12 LEU 26 HD12 LEU 26 20.114 31.923 -1.726 216 HD13 LEU 26 HD13 LEU 26 20.999 33.360 -1.177 217 HD21 LEU 26 HD21 LEU 26 20.580 29.941 1.349 218 HD22 LEU 26 HD22 LEU 26 19.887 29.953 -0.286 219 HD23 LEU 26 HD23 LEU 26 21.655 29.883 -0.071 220 H GLY 27 H GLY 27 21.655 33.438 4.757 221 HA2 GLY 27 HA2 GLY 27 24.248 34.700 4.547 222 HA3 GLY 27 HA3 GLY 27 23.044 34.921 5.832 223 H ASN 28 H ASN 28 23.603 31.603 5.530 224 HA ASN 28 HA ASN 28 25.949 31.536 7.289 225 HB2 ASN 28 HB2 ASN 28 24.661 30.180 8.995 226 HB3 ASN 28 HB3 ASN 28 24.290 31.901 8.938 227 HD21 ASN 28 HD21 ASN 28 22.324 31.260 10.104 228 HD22 ASN 28 HD22 ASN 28 20.944 30.722 9.168 229 H ARG 29 H ARG 29 26.340 30.653 4.960 230 HA ARG 29 HA ARG 29 26.752 28.902 3.583 231 HB2 ARG 29 HB2 ARG 29 26.787 27.314 6.169 232 HB3 ARG 29 HB3 ARG 29 27.451 26.786 4.614 233 HG2 ARG 29 HG2 ARG 29 28.989 28.743 4.604 234 HG3 ARG 29 HG3 ARG 29 28.360 29.236 6.191 235 HD2 ARG 29 HD2 ARG 29 29.079 27.058 7.144 236 HD3 ARG 29 HD3 ARG 29 29.730 26.598 5.565 237 HE ARG 29 HE ARG 29 31.472 28.200 5.783 238 HH11 ARG 29 HH11 ARG 29 29.379 28.109 8.631 239 HH12 ARG 29 HH12 ARG 29 30.533 28.945 9.646 240 HH21 ARG 29 HH21 ARG 29 32.942 29.288 7.123 241 HH22 ARG 29 HH22 ARG 29 32.552 29.604 8.798 242 H ALA 30 H ALA 30 23.997 29.630 4.063 243 HA ALA 30 HA ALA 30 21.906 28.994 3.619 244 HB1 ALA 30 HB1 ALA 30 21.582 27.458 1.755 245 HB2 ALA 30 HB2 ALA 30 22.958 28.541 1.445 246 HB3 ALA 30 HB3 ALA 30 23.248 26.854 1.934 247 H ALA 31 H ALA 31 23.191 27.739 6.026 248 HA ALA 31 HA ALA 31 22.277 25.071 6.310 249 HB1 ALA 31 HB1 ALA 31 22.633 27.261 8.396 250 HB2 ALA 31 HB2 ALA 31 22.537 25.516 8.722 251 HB3 ALA 31 HB3 ALA 31 23.910 26.175 7.803 252 H VAL 32 H VAL 32 20.552 28.153 6.438 253 HA VAL 32 HA VAL 32 18.213 27.111 7.804 254 HB VAL 32 HB VAL 32 18.637 29.545 6.019 255 HG11 VAL 32 HG11 VAL 32 16.536 30.377 7.058 256 HG12 VAL 32 HG12 VAL 32 16.251 28.926 6.080 257 HG13 VAL 32 HG13 VAL 32 16.320 28.800 7.851 258 HG21 VAL 32 HG21 VAL 32 18.673 30.768 8.164 259 HG22 VAL 32 HG22 VAL 32 18.488 29.243 9.050 260 HG23 VAL 32 HG23 VAL 32 19.966 29.543 8.113 261 H LYS 33 H LYS 33 19.237 27.456 4.383 262 HA LYS 33 HA LYS 33 16.702 26.663 3.272 263 HB2 LYS 33 HB2 LYS 33 18.499 27.899 2.047 264 HB3 LYS 33 HB3 LYS 33 19.512 26.448 2.118 265 HG2 LYS 33 HG2 LYS 33 17.766 25.194 0.833 266 HG3 LYS 33 HG3 LYS 33 16.788 26.672 0.770 267 HD2 LYS 33 HD2 LYS 33 17.978 26.502 -1.328 268 HD3 LYS 33 HD3 LYS 33 18.703 27.817 -0.403 269 HE2 LYS 33 HE2 LYS 33 20.469 26.480 -1.400 270 HE3 LYS 33 HE3 LYS 33 20.504 26.231 0.348 271 HZ1 LYS 33 HZ1 LYS 33 19.258 24.424 -1.629 272 HZ2 LYS 33 HZ2 LYS 33 20.686 24.160 -0.868 273 HZ3 LYS 33 HZ3 LYS 33 19.274 24.166 -0.021 274 H LYS 34 H LYS 34 19.679 24.941 4.215 275 HA LYS 34 HA LYS 34 18.916 22.383 3.171 276 HB2 LYS 34 HB2 LYS 34 20.893 23.228 5.319 277 HB3 LYS 34 HB3 LYS 34 20.785 21.588 4.654 278 HG2 LYS 34 HG2 LYS 34 21.416 22.316 2.461 279 HG3 LYS 34 HG3 LYS 34 21.191 24.025 2.880 280 HD2 LYS 34 HD2 LYS 34 23.043 23.883 4.505 281 HD3 LYS 34 HD3 LYS 34 23.313 22.184 4.054 282 HE2 LYS 34 HE2 LYS 34 23.816 22.829 1.754 283 HE3 LYS 34 HE3 LYS 34 23.391 24.514 2.095 284 HZ1 LYS 34 HZ1 LYS 34 25.769 24.135 2.134 285 HZ2 LYS 34 HZ2 LYS 34 25.228 24.647 3.593 286 HZ3 LYS 34 HZ3 LYS 34 25.608 23.063 3.375 287 H HIS 35 H HIS 35 18.010 24.103 6.087 288 HA HIS 35 HA HIS 35 17.245 21.729 7.577 289 HB2 HIS 35 HB2 HIS 35 17.856 23.942 8.577 290 HB3 HIS 35 HB3 HIS 35 16.362 24.624 7.920 291 HD1 HIS 35 HD1 HIS 35 17.570 22.209 10.654 292 HD2 HIS 35 HD2 HIS 35 14.057 23.977 9.133 293 HE1 HIS 35 HE1 HIS 35 15.721 21.741 12.367 294 HE2 HIS 35 HE2 HIS 35 13.591 22.830 11.443 295 H ILE 36 H ILE 36 15.666 23.906 5.237 296 HA ILE 36 HA ILE 36 12.998 22.906 5.785 297 HB ILE 36 HB ILE 36 14.140 24.389 3.385 298 HG12 ILE 36 HG12 ILE 36 12.630 25.432 5.818 299 HG13 ILE 36 HG13 ILE 36 14.383 25.572 5.568 300 HG21 ILE 36 HG21 ILE 36 11.248 23.998 4.274 301 HG22 ILE 36 HG22 ILE 36 11.795 24.992 2.906 302 HG23 ILE 36 HG23 ILE 36 12.013 23.241 2.856 303 HD11 ILE 36 HD11 ILE 36 12.214 26.830 3.851 304 HD12 ILE 36 HD12 ILE 36 13.364 27.662 4.919 305 HD13 ILE 36 HD13 ILE 36 13.954 26.845 3.462 306 H GLU 37 H GLU 37 15.698 22.001 3.683 307 HA GLU 37 HA GLU 37 14.235 20.303 1.917 308 HB2 GLU 37 HB2 GLU 37 17.161 20.333 2.755 309 HB3 GLU 37 HB3 GLU 37 16.500 19.351 1.429 310 HG2 GLU 37 HG2 GLU 37 15.677 21.405 0.316 311 HG3 GLU 37 HG3 GLU 37 16.341 22.390 1.622 312 H ARG 38 H ARG 38 15.572 19.807 5.178 313 HA ARG 38 HA ARG 38 14.960 16.917 4.989 314 HB2 ARG 38 HB2 ARG 38 16.144 16.698 7.100 315 HB3 ARG 38 HB3 ARG 38 17.119 17.501 5.872 316 HG2 ARG 38 HG2 ARG 38 17.526 18.618 7.917 317 HG3 ARG 38 HG3 ARG 38 16.580 19.713 6.906 318 HD2 ARG 38 HD2 ARG 38 15.881 19.689 9.305 319 HD3 ARG 38 HD3 ARG 38 14.573 19.264 8.213 320 HE ARG 38 HE ARG 38 14.573 17.072 9.016 321 HH11 ARG 38 HH11 ARG 38 17.294 18.870 10.393 322 HH12 ARG 38 HH12 ARG 38 17.637 17.651 11.595 323 HH21 ARG 38 HH21 ARG 38 15.038 15.514 10.600 324 HH22 ARG 38 HH22 ARG 38 16.357 15.766 11.722 325 H GLN 39 H GLN 39 13.316 19.728 5.733 326 HA GLN 39 HA GLN 39 11.691 18.584 7.910 327 HB2 GLN 39 HB2 GLN 39 12.278 20.933 8.030 328 HB3 GLN 39 HB3 GLN 39 11.695 21.204 6.383 329 HG2 GLN 39 HG2 GLN 39 10.076 22.034 8.039 330 HG3 GLN 39 HG3 GLN 39 9.395 20.743 7.052 331 HE21 GLN 39 HE21 GLN 39 7.799 20.254 8.620 332 HE22 GLN 39 HE22 GLN 39 8.194 19.455 10.131 333 H PHE 40 H PHE 40 11.623 19.032 4.425 334 HA PHE 40 HA PHE 40 8.949 17.746 4.359 335 HB2 PHE 40 HB2 PHE 40 9.843 20.134 2.728 336 HB3 PHE 40 HB3 PHE 40 8.354 19.223 2.464 337 HD1 PHE 40 HD1 PHE 40 9.566 22.133 3.840 338 HD2 PHE 40 HD2 PHE 40 6.963 18.859 4.831 339 HE1 PHE 40 HE1 PHE 40 8.379 23.574 5.473 340 HE2 PHE 40 HE2 PHE 40 5.780 20.296 6.469 341 HZ PHE 40 HZ PHE 40 6.490 22.655 6.795 342 H ASN 41 H ASN 41 11.977 17.075 3.760 343 HA ASN 41 HA ASN 41 13.169 15.840 2.315 344 HB2 ASN 41 HB2 ASN 41 10.446 14.713 1.581 345 HB3 ASN 41 HB3 ASN 41 11.997 13.981 1.174 346 HD21 ASN 41 HD21 ASN 41 10.119 12.563 2.632 347 HD22 ASN 41 HD22 ASN 41 10.689 12.360 4.281 348 H CYS 42 H CYS 42 11.912 18.478 1.344 349 HA CYS 42 HA CYS 42 11.857 18.106 -1.564 350 HB2 CYS 42 HB2 CYS 42 11.573 20.531 0.270 351 HB3 CYS 42 HB3 CYS 42 11.403 20.570 -1.498 352 HG CYS 42 HG CYS 42 9.708 18.787 0.707 353 H VAL 43 H VAL 43 13.102 19.986 -2.761 354 HA VAL 43 HA VAL 43 15.799 20.411 -1.574 355 HB VAL 43 HB VAL 43 15.166 19.526 -4.418 356 HG11 VAL 43 HG11 VAL 43 17.793 20.391 -3.148 357 HG12 VAL 43 HG12 VAL 43 17.633 19.627 -4.748 358 HG13 VAL 43 HG13 VAL 43 16.928 21.229 -4.463 359 HG21 VAL 43 HG21 VAL 43 15.232 17.663 -2.807 360 HG22 VAL 43 HG22 VAL 43 16.659 17.629 -3.860 361 HG23 VAL 43 HG23 VAL 43 16.804 18.240 -2.196 362 H ILE 44 H ILE 44 16.688 22.474 -2.093 363 HA ILE 44 HA ILE 44 14.888 24.290 -3.608 364 HB ILE 44 HB ILE 44 16.028 24.804 -0.843 365 HG12 ILE 44 HG12 ILE 44 13.155 24.434 -1.778 366 HG13 ILE 44 HG13 ILE 44 14.092 23.281 -0.812 367 HG21 ILE 44 HG21 ILE 44 14.262 26.569 -2.600 368 HG22 ILE 44 HG22 ILE 44 14.847 26.962 -0.967 369 HG23 ILE 44 HG23 ILE 44 15.995 26.837 -2.301 370 HD11 ILE 44 HD11 ILE 44 14.314 25.005 0.984 371 HD12 ILE 44 HD12 ILE 44 13.233 26.072 0.048 372 HD13 ILE 44 HD13 ILE 44 12.636 24.519 0.656 373 H THR 45 H THR 45 15.908 25.885 -4.743 374 HA THR 45 HA THR 45 18.804 26.210 -4.372 375 HB THR 45 HB THR 45 17.812 25.801 -7.157 376 HG1 THR 45 HG1 THR 45 18.493 23.674 -6.967 377 HG21 THR 45 HG21 THR 45 19.986 26.880 -6.876 378 HG22 THR 45 HG22 THR 45 20.527 25.569 -5.797 379 HG23 THR 45 HG23 THR 45 20.211 25.238 -7.514 380 H VAL 46 H VAL 46 19.617 28.179 -4.555 381 HA VAL 46 HA VAL 46 17.786 30.320 -5.333 382 HB VAL 46 HB VAL 46 19.303 30.396 -3.284 383 HG11 VAL 46 HG11 VAL 46 21.376 29.608 -4.388 384 HG12 VAL 46 HG12 VAL 46 21.377 31.050 -5.425 385 HG13 VAL 46 HG13 VAL 46 21.594 31.218 -3.675 386 HG21 VAL 46 HG21 VAL 46 19.679 32.812 -3.558 387 HG22 VAL 46 HG22 VAL 46 19.428 32.679 -5.305 388 HG23 VAL 46 HG23 VAL 46 18.088 32.347 -4.182 389 H HIS 47 H HIS 47 18.338 32.007 -6.850 390 HA HIS 47 HA HIS 47 20.426 31.318 -8.827 391 HB2 HIS 47 HB2 HIS 47 17.490 31.787 -9.362 392 HB3 HIS 47 HB3 HIS 47 18.722 32.116 -10.591 393 HD1 HIS 47 HD1 HIS 47 20.144 29.975 -11.505 394 HD2 HIS 47 HD2 HIS 47 16.911 29.197 -8.913 395 HE1 HIS 47 HE1 HIS 47 19.654 27.472 -11.689 396 HE2 HIS 47 HE2 HIS 47 17.686 27.001 -10.111 397 H THR 48 H THR 48 21.180 32.961 -7.031 398 HA THR 48 HA THR 48 20.397 35.654 -7.268 399 HB THR 48 HB THR 48 22.125 36.233 -5.883 400 HG1 THR 48 HG1 THR 48 24.049 35.049 -5.770 401 HG21 THR 48 HG21 THR 48 22.344 34.485 -4.187 402 HG22 THR 48 HG22 THR 48 20.679 34.525 -4.804 403 HG23 THR 48 HG23 THR 48 21.800 33.247 -5.334 404 H GLU 49 H GLU 49 22.002 33.818 -9.578 405 HA GLU 49 HA GLU 49 23.544 35.861 -10.882 406 HB2 GLU 49 HB2 GLU 49 23.491 34.275 -12.776 407 HB3 GLU 49 HB3 GLU 49 23.833 33.449 -11.241 408 HG2 GLU 49 HG2 GLU 49 21.327 32.935 -11.099 409 HG3 GLU 49 HG3 GLU 49 21.197 33.518 -12.767 410 H VAL 50 H VAL 50 20.203 35.483 -10.384 411 HA VAL 50 HA VAL 50 19.511 37.145 -12.737 412 HB VAL 50 HB VAL 50 17.629 35.567 -10.977 413 HG11 VAL 50 HG11 VAL 50 16.536 37.383 -12.190 414 HG12 VAL 50 HG12 VAL 50 17.299 36.862 -13.716 415 HG13 VAL 50 HG13 VAL 50 16.091 35.835 -12.923 416 HG21 VAL 50 HG21 VAL 50 18.872 34.774 -13.637 417 HG22 VAL 50 HG22 VAL 50 19.097 33.970 -12.063 418 HG23 VAL 50 HG23 VAL 50 17.511 33.939 -12.848 419 H GLN 51 H GLN 51 18.277 39.022 -12.484 420 HA GLN 51 HA GLN 51 17.552 39.863 -9.748 421 HB2 GLN 51 HB2 GLN 51 19.211 41.562 -11.661 422 HB3 GLN 51 HB3 GLN 51 18.503 42.107 -10.123 423 HG2 GLN 51 HG2 GLN 51 19.856 40.375 -8.928 424 HG3 GLN 51 HG3 GLN 51 20.621 39.938 -10.462 425 HE21 GLN 51 HE21 GLN 51 22.436 40.573 -8.734 426 HE22 GLN 51 HE22 GLN 51 23.017 42.218 -8.899 427 H SER 52 H SER 52 15.508 40.534 -9.766 428 HA SER 52 HA SER 52 14.075 40.831 -12.269 429 HB2 SER 52 HB2 SER 52 12.143 41.109 -10.846 430 HB3 SER 52 HB3 SER 52 13.151 39.817 -10.156 431 HG SER 52 HG SER 52 12.423 41.417 -8.631 432 H SER 53 H SER 53 12.502 42.732 -12.474 433 HA SER 53 HA SER 53 13.965 45.241 -12.454 434 HB2 SER 53 HB2 SER 53 11.922 46.111 -13.521 435 HB3 SER 53 HB3 SER 53 12.443 44.606 -14.296 436 HG SER 53 HG SER 53 10.200 44.641 -13.841 437 H PHE 54 H PHE 54 12.684 43.586 -9.979 438 HA PHE 54 HA PHE 54 11.798 46.018 -8.609 439 HB2 PHE 54 HB2 PHE 54 10.130 44.550 -7.337 440 HB3 PHE 54 HB3 PHE 54 9.768 45.207 -8.928 441 HD1 PHE 54 HD1 PHE 54 10.840 42.102 -7.180 442 HD2 PHE 54 HD2 PHE 54 9.282 43.836 -10.791 443 HE1 PHE 54 HE1 PHE 54 10.315 39.835 -8.044 444 HE2 PHE 54 HE2 PHE 54 8.769 41.569 -11.657 445 HZ PHE 54 HZ PHE 54 9.288 39.568 -10.286 446 H GLY 55 H GLY 55 14.355 44.258 -8.542 447 HA2 GLY 55 HA2 GLY 55 16.000 44.253 -6.946 448 HA3 GLY 55 HA3 GLY 55 14.881 45.004 -5.785 449 H ALA 56 H ALA 56 14.477 41.898 -7.565 450 HA ALA 56 HA ALA 56 14.697 40.463 -4.971 451 HB1 ALA 56 HB1 ALA 56 12.321 40.889 -5.461 452 HB2 ALA 56 HB2 ALA 56 12.516 40.110 -7.056 453 HB3 ALA 56 HB3 ALA 56 12.701 39.158 -5.569 454 H THR 57 H THR 57 14.874 38.107 -5.228 455 HA THR 57 HA THR 57 16.454 37.321 -7.652 456 HB THR 57 HB THR 57 16.908 36.937 -4.669 457 HG1 THR 57 HG1 THR 57 17.949 38.652 -5.704 458 HG21 THR 57 HG21 THR 57 18.689 35.319 -5.249 459 HG22 THR 57 HG22 THR 57 17.074 34.692 -5.620 460 HG23 THR 57 HG23 THR 57 18.112 35.308 -6.936 461 HA PRO 58 HA PRO 58 13.197 34.212 -7.446 462 HB2 PRO 58 HB2 PRO 58 13.784 32.802 -9.672 463 HB3 PRO 58 HB3 PRO 58 13.244 34.510 -9.782 464 HG2 PRO 58 HG2 PRO 58 16.083 33.449 -9.854 465 HG3 PRO 58 HG3 PRO 58 15.315 34.620 -10.967 466 HD2 PRO 58 HD2 PRO 58 16.864 35.360 -8.810 467 HD3 PRO 58 HD3 PRO 58 15.508 36.361 -9.415 468 H VAL 59 H VAL 59 12.961 31.981 -7.001 469 HA VAL 59 HA VAL 59 15.401 30.384 -6.663 470 HB VAL 59 HB VAL 59 15.115 29.784 -4.477 471 HG11 VAL 59 HG11 VAL 59 14.062 32.646 -4.481 472 HG12 VAL 59 HG12 VAL 59 14.859 31.811 -3.134 473 HG13 VAL 59 HG13 VAL 59 15.778 32.179 -4.608 474 HG21 VAL 59 HG21 VAL 59 12.277 30.870 -4.574 475 HG22 VAL 59 HG22 VAL 59 12.761 29.150 -4.540 476 HG23 VAL 59 HG23 VAL 59 13.075 30.193 -3.142 477 H GLU 60 H GLU 60 15.060 28.085 -6.422 478 HA GLU 60 HA GLU 60 12.582 27.161 -7.807 479 HB2 GLU 60 HB2 GLU 60 15.454 26.187 -7.913 480 HB3 GLU 60 HB3 GLU 60 14.095 25.279 -8.592 481 HG2 GLU 60 HG2 GLU 60 14.752 28.147 -9.396 482 HG3 GLU 60 HG3 GLU 60 15.441 26.728 -10.197 483 H ILE 61 H ILE 61 11.629 25.240 -7.083 484 HA ILE 61 HA ILE 61 12.782 23.961 -4.672 485 HB ILE 61 HB ILE 61 9.860 24.696 -5.003 486 HG12 ILE 61 HG12 ILE 61 11.958 25.963 -3.209 487 HG13 ILE 61 HG13 ILE 61 11.175 26.707 -4.622 488 HG21 ILE 61 HG21 ILE 61 11.350 23.473 -2.640 489 HG22 ILE 61 HG22 ILE 61 9.622 23.881 -2.686 490 HG23 ILE 61 HG23 ILE 61 10.254 22.612 -3.740 491 HD11 ILE 61 HD11 ILE 61 9.802 25.889 -2.036 492 HD12 ILE 61 HD12 ILE 61 10.107 27.537 -2.609 493 HD13 ILE 61 HD13 ILE 61 8.972 26.496 -3.490 494 H VAL 62 H VAL 62 12.401 21.730 -4.589 495 HA VAL 62 HA VAL 62 10.822 20.523 -6.790 496 HB VAL 62 HB VAL 62 13.669 19.760 -6.056 497 HG11 VAL 62 HG11 VAL 62 11.767 18.625 -8.144 498 HG12 VAL 62 HG12 VAL 62 13.484 18.204 -7.974 499 HG13 VAL 62 HG13 VAL 62 12.352 17.789 -6.677 500 HG21 VAL 62 HG21 VAL 62 12.521 21.017 -8.583 501 HG22 VAL 62 HG22 VAL 62 13.605 21.816 -7.418 502 HG23 VAL 62 HG23 VAL 62 14.196 20.451 -8.380 503 H ALA 63 H ALA 63 9.871 18.543 -6.292 504 HA ALA 63 HA ALA 63 10.462 17.182 -3.773 505 HB1 ALA 63 HB1 ALA 63 7.761 18.510 -4.188 506 HB2 ALA 63 HB2 ALA 63 8.277 17.548 -2.775 507 HB3 ALA 63 HB3 ALA 63 9.015 19.137 -3.100 508 H GLN 64 H GLN 64 8.903 15.293 -3.476 509 HA GLN 64 HA GLN 64 8.487 13.968 -6.028 510 HB2 GLN 64 HB2 GLN 64 9.286 12.714 -4.134 511 HB3 GLN 64 HB3 GLN 64 7.914 13.220 -3.134 512 HG2 GLN 64 HG2 GLN 64 6.361 11.938 -4.456 513 HG3 GLN 64 HG3 GLN 64 7.585 11.613 -5.694 514 HE21 GLN 64 HE21 GLN 64 6.078 9.570 -4.415 515 HE22 GLN 64 HE22 GLN 64 7.184 8.601 -3.457 516 H ASN 65 H ASN 65 6.548 15.999 -3.955 517 HA ASN 65 HA ASN 65 4.277 15.735 -5.771 518 HB2 ASN 65 HB2 ASN 65 2.685 15.135 -3.948 519 HB3 ASN 65 HB3 ASN 65 3.835 13.854 -4.346 520 HD21 ASN 65 HD21 ASN 65 4.255 12.751 -2.479 521 HD22 ASN 65 HD22 ASN 65 4.689 13.511 -0.962 522 H LYS 66 H LYS 66 2.512 17.294 -5.203 523 HA LYS 66 HA LYS 66 3.684 19.851 -4.522 524 HB2 LYS 66 HB2 LYS 66 0.829 18.982 -5.106 525 HB3 LYS 66 HB3 LYS 66 1.348 20.668 -4.884 526 HG2 LYS 66 HG2 LYS 66 2.915 20.450 -6.778 527 HG3 LYS 66 HG3 LYS 66 2.409 18.758 -7.010 528 HD2 LYS 66 HD2 LYS 66 0.091 19.507 -7.429 529 HD3 LYS 66 HD3 LYS 66 0.600 21.197 -7.204 530 HE2 LYS 66 HE2 LYS 66 2.190 20.963 -9.091 531 HE3 LYS 66 HE3 LYS 66 1.681 19.284 -9.316 532 HZ1 LYS 66 HZ1 LYS 66 -0.532 20.089 -9.792 533 HZ2 LYS 66 HZ2 LYS 66 -0.052 21.649 -9.594 534 HZ3 LYS 66 HZ3 LYS 66 0.561 20.751 -10.828 535 H GLU 67 H GLU 67 1.955 17.387 -2.727 536 HA GLU 67 HA GLU 67 0.948 19.070 -0.645 537 HB2 GLU 67 HB2 GLU 67 1.556 16.086 -0.764 538 HB3 GLU 67 HB3 GLU 67 0.830 16.895 0.629 539 HG2 GLU 67 HG2 GLU 67 -1.014 16.087 -0.531 540 HG3 GLU 67 HG3 GLU 67 -0.958 17.801 -0.960 541 H GLN 68 H GLN 68 4.142 18.410 -1.465 542 HA GLN 68 HA GLN 68 4.999 19.183 1.285 543 HB2 GLN 68 HB2 GLN 68 6.390 17.330 -0.685 544 HB3 GLN 68 HB3 GLN 68 7.105 17.920 0.825 545 HG2 GLN 68 HG2 GLN 68 5.494 16.753 2.156 546 HG3 GLN 68 HG3 GLN 68 4.475 16.390 0.755 547 HE21 GLN 68 HE21 GLN 68 8.066 16.085 1.005 548 HE22 GLN 68 HE22 GLN 68 8.085 14.361 0.718 549 H CYS 69 H CYS 69 5.282 19.624 -2.242 550 HA CYS 69 HA CYS 69 7.618 21.284 -2.150 551 HB2 CYS 69 HB2 CYS 69 6.482 20.066 -4.152 552 HB3 CYS 69 HB3 CYS 69 5.356 21.440 -4.177 553 HG CYS 69 HG CYS 69 8.645 21.358 -4.467 554 H GLN 70 H GLN 70 4.085 21.888 -1.889 555 HA GLN 70 HA GLN 70 4.291 24.764 -1.937 556 HB2 GLN 70 HB2 GLN 70 2.165 22.889 -0.836 557 HB3 GLN 70 HB3 GLN 70 1.969 24.639 -1.001 558 HG2 GLN 70 HG2 GLN 70 2.575 22.748 -3.324 559 HG3 GLN 70 HG3 GLN 70 0.960 23.284 -2.877 560 HE21 GLN 70 HE21 GLN 70 1.711 23.792 -5.412 561 HE22 GLN 70 HE22 GLN 70 2.072 25.490 -5.629 562 H GLU 71 H GLU 71 4.540 22.301 0.634 563 HA GLU 71 HA GLU 71 4.298 24.208 2.795 564 HB2 GLU 71 HB2 GLU 71 5.596 21.452 2.727 565 HB3 GLU 71 HB3 GLU 71 5.117 22.343 4.179 566 HG2 GLU 71 HG2 GLU 71 3.238 21.365 1.987 567 HG3 GLU 71 HG3 GLU 71 3.484 20.575 3.552 568 H ALA 72 H ALA 72 6.958 22.939 0.805 569 HA ALA 72 HA ALA 72 9.028 24.161 2.437 570 HB1 ALA 72 HB1 ALA 72 9.064 23.024 -0.389 571 HB2 ALA 72 HB2 ALA 72 10.493 23.439 0.585 572 HB3 ALA 72 HB3 ALA 72 9.418 22.130 1.106 573 H ARG 73 H ARG 73 6.861 25.264 -0.080 574 HA ARG 73 HA ARG 73 8.536 27.553 -0.826 575 HB2 ARG 73 HB2 ARG 73 6.946 26.494 -2.434 576 HB3 ARG 73 HB3 ARG 73 5.604 26.902 -1.357 577 HG2 ARG 73 HG2 ARG 73 6.420 29.368 -1.574 578 HG3 ARG 73 HG3 ARG 73 7.357 28.780 -2.961 579 HD2 ARG 73 HD2 ARG 73 5.224 27.884 -3.934 580 HD3 ARG 73 HD3 ARG 73 4.351 28.532 -2.543 581 HE ARG 73 HE ARG 73 5.509 30.061 -4.787 582 HH11 ARG 73 HH11 ARG 73 4.063 30.130 -1.580 583 HH12 ARG 73 HH12 ARG 73 3.508 31.781 -1.714 584 HH21 ARG 73 HH21 ARG 73 4.820 32.240 -4.954 585 HH22 ARG 73 HH22 ARG 73 3.967 32.982 -3.622 586 H ASN 74 H ASN 74 5.529 26.975 1.052 587 HA ASN 74 HA ASN 74 5.211 29.778 1.661 588 HB2 ASN 74 HB2 ASN 74 3.842 27.263 2.679 589 HB3 ASN 74 HB3 ASN 74 3.324 28.914 3.065 590 HD21 ASN 74 HD21 ASN 74 2.149 26.567 1.382 591 HD22 ASN 74 HD22 ASN 74 1.658 27.375 -0.093 592 H ALA 75 H ALA 75 7.093 27.246 3.085 593 HA ALA 75 HA ALA 75 7.280 28.465 5.713 594 HB1 ALA 75 HB1 ALA 75 9.068 26.474 4.247 595 HB2 ALA 75 HB2 ALA 75 9.179 26.886 5.975 596 HB3 ALA 75 HB3 ALA 75 7.724 26.080 5.347 597 H VAL 76 H VAL 76 8.260 29.521 2.688 598 HA VAL 76 HA VAL 76 10.634 30.925 3.787 599 HB VAL 76 HB VAL 76 10.130 30.131 0.896 600 HG11 VAL 76 HG11 VAL 76 12.552 31.314 2.315 601 HG12 VAL 76 HG12 VAL 76 12.565 30.655 0.661 602 HG13 VAL 76 HG13 VAL 76 11.595 32.084 1.023 603 HG21 VAL 76 HG21 VAL 76 11.967 28.940 3.002 604 HG22 VAL 76 HG22 VAL 76 10.517 28.155 2.332 605 HG23 VAL 76 HG23 VAL 76 11.915 28.476 1.287 606 H MET 77 H MET 77 7.420 31.419 2.809 607 HA MET 77 HA MET 77 7.893 33.968 1.466 608 HB2 MET 77 HB2 MET 77 5.367 32.582 2.457 609 HB3 MET 77 HB3 MET 77 5.383 34.085 1.520 610 HG2 MET 77 HG2 MET 77 6.481 31.411 0.557 611 HG3 MET 77 HG3 MET 77 4.917 32.104 0.140 612 HE1 MET 77 HE1 MET 77 8.808 32.799 0.047 613 HE2 MET 77 HE2 MET 77 8.330 31.474 -1.047 614 HE3 MET 77 HE3 MET 77 8.979 32.995 -1.708 615 H SER 78 H SER 78 7.365 32.980 4.794 616 HA SER 78 HA SER 78 7.544 35.819 5.587 617 HB2 SER 78 HB2 SER 78 5.176 34.042 6.274 618 HB3 SER 78 HB3 SER 78 5.588 35.528 7.146 619 HG SER 78 HG SER 78 5.007 35.317 4.377 620 H LEU 79 H LEU 79 7.477 32.360 6.510 621 HA LEU 79 HA LEU 79 8.508 32.949 9.181 622 HB2 LEU 79 HB2 LEU 79 8.409 30.322 7.644 623 HB3 LEU 79 HB3 LEU 79 8.659 30.517 9.382 624 HG LEU 79 HG LEU 79 6.134 31.250 7.829 625 HD11 LEU 79 HD11 LEU 79 5.145 29.366 9.068 626 HD12 LEU 79 HD12 LEU 79 6.530 28.816 8.096 627 HD13 LEU 79 HD13 LEU 79 6.705 29.037 9.852 628 HD21 LEU 79 HD21 LEU 79 6.437 32.756 9.752 629 HD22 LEU 79 HD22 LEU 79 5.142 31.587 10.085 630 HD23 LEU 79 HD23 LEU 79 6.751 31.365 10.816 631 H MET 80 H MET 80 9.756 31.981 6.023 632 HA MET 80 HA MET 80 11.823 31.665 5.185 633 HB2 MET 80 HB2 MET 80 12.594 33.885 7.105 634 HB3 MET 80 HB3 MET 80 13.426 33.417 5.604 635 HG2 MET 80 HG2 MET 80 11.246 33.850 4.381 636 HG3 MET 80 HG3 MET 80 10.605 34.526 5.876 637 HE1 MET 80 HE1 MET 80 12.615 34.961 2.723 638 HE2 MET 80 HE2 MET 80 13.699 36.342 3.011 639 HE3 MET 80 HE3 MET 80 14.008 34.785 3.820 640 H GLN 81 H GLN 81 11.070 30.122 7.639 641 HA GLN 81 HA GLN 81 11.904 28.748 9.186 642 HB2 GLN 81 HB2 GLN 81 12.566 27.724 7.023 643 HB3 GLN 81 HB3 GLN 81 14.172 28.446 7.195 644 HG2 GLN 81 HG2 GLN 81 14.110 26.074 7.877 645 HG3 GLN 81 HG3 GLN 81 14.587 27.109 9.220 646 HE21 GLN 81 HE21 GLN 81 11.294 26.428 7.876 647 HE22 GLN 81 HE22 GLN 81 10.664 25.743 9.358 648 H SER 82 H SER 82 12.534 31.540 9.611 649 HA SER 82 HA SER 82 15.201 31.877 10.543 650 HB2 SER 82 HB2 SER 82 13.695 33.751 10.062 651 HB3 SER 82 HB3 SER 82 12.583 33.215 11.335 652 HG SER 82 HG SER 82 15.248 34.127 11.664 653 H HIS 83 H HIS 83 12.498 30.139 11.842 654 HA HIS 83 HA HIS 83 14.112 29.199 14.082 655 HB2 HIS 83 HB2 HIS 83 12.214 29.740 15.723 656 HB3 HIS 83 HB3 HIS 83 13.266 31.063 15.228 657 HD1 HIS 83 HD1 HIS 83 9.717 29.742 14.318 658 HD2 HIS 83 HD2 HIS 83 12.135 33.194 14.268 659 HE1 HIS 83 HE1 HIS 83 8.214 31.677 13.561 660 HE2 HIS 83 HE2 HIS 83 9.686 33.771 13.546 661 H GLN 84 H GLN 84 13.493 27.170 14.768 662 HA GLN 84 HA GLN 84 11.674 25.794 12.922 663 HB2 GLN 84 HB2 GLN 84 12.708 23.766 13.785 664 HB3 GLN 84 HB3 GLN 84 13.954 24.945 13.327 665 HG2 GLN 84 HG2 GLN 84 14.253 25.588 15.691 666 HG3 GLN 84 HG3 GLN 84 12.935 24.508 16.164 667 HE21 GLN 84 HE21 GLN 84 14.684 23.677 17.615 668 HE22 GLN 84 HE22 GLN 84 15.736 22.418 16.987 669 H ASP 85 H ASP 85 11.018 27.485 15.589 670 HA ASP 85 HA ASP 85 9.512 27.448 17.204 671 HB2 ASP 85 HB2 ASP 85 8.081 25.647 15.271 672 HB3 ASP 85 HB3 ASP 85 7.357 26.222 16.776 673 H LYS 86 H LYS 86 11.673 25.396 17.407 674 HA LYS 86 HA LYS 86 10.572 24.018 19.780 675 HB2 LYS 86 HB2 LYS 86 12.048 22.630 17.507 676 HB3 LYS 86 HB3 LYS 86 11.699 21.898 19.073 677 HG2 LYS 86 HG2 LYS 86 9.579 22.901 17.130 678 HG3 LYS 86 HG3 LYS 86 10.114 21.221 17.272 679 HD2 LYS 86 HD2 LYS 86 9.366 21.118 19.603 680 HD3 LYS 86 HD3 LYS 86 8.900 22.825 19.574 681 HE2 LYS 86 HE2 LYS 86 7.714 20.648 17.814 682 HE3 LYS 86 HE3 LYS 86 6.955 21.323 19.269 683 HZ1 LYS 86 HZ1 LYS 86 6.112 22.370 17.296 684 HZ2 LYS 86 HZ2 LYS 86 6.954 23.471 18.182 685 HZ3 LYS 86 HZ3 LYS 86 7.623 22.832 16.830 Start of MODEL 9 1 H1 SER 1 H SER 1 12.550 0.289 -1.308 2 HA SER 1 HA SER 1 10.532 1.519 -1.605 3 HB2 SER 1 HB2 SER 1 12.934 3.189 -0.771 4 HB3 SER 1 HB3 SER 1 11.231 3.571 -0.416 5 HG SER 1 HG SER 1 12.241 2.427 1.290 6 H GLY 2 H GLY 2 9.584 3.606 -2.297 7 HA2 GLY 2 HA2 GLY 2 10.747 5.367 -4.142 8 HA3 GLY 2 HA3 GLY 2 10.032 4.059 -5.094 9 H SER 3 H SER 3 8.951 6.321 -5.700 10 HA SER 3 HA SER 3 6.216 6.121 -4.682 11 HB2 SER 3 HB2 SER 3 7.214 7.701 -3.089 12 HB3 SER 3 HB3 SER 3 7.830 8.694 -4.430 13 HG SER 3 HG SER 3 5.829 9.442 -3.566 14 H HIS 4 H HIS 4 4.721 7.320 -6.061 15 HA HIS 4 HA HIS 4 3.884 7.619 -8.136 16 HB2 HIS 4 HB2 HIS 4 4.681 9.618 -9.279 17 HB3 HIS 4 HB3 HIS 4 4.529 9.868 -7.547 18 HD1 HIS 4 HD1 HIS 4 7.391 9.209 -10.095 19 HD2 HIS 4 HD2 HIS 4 6.556 10.943 -6.345 20 HE1 HIS 4 HE1 HIS 4 9.549 10.378 -9.335 21 HE2 HIS 4 HE2 HIS 4 9.036 11.421 -7.057 22 H MET 5 H MET 5 5.237 5.305 -8.150 23 HA MET 5 HA MET 5 6.108 3.727 -9.480 24 HB2 MET 5 HB2 MET 5 5.217 5.570 -11.717 25 HB3 MET 5 HB3 MET 5 5.715 3.884 -11.897 26 HG2 MET 5 HG2 MET 5 3.380 3.793 -11.809 27 HG3 MET 5 HG3 MET 5 3.945 3.234 -10.240 28 HE1 MET 5 HE1 MET 5 3.513 6.936 -11.705 29 HE2 MET 5 HE2 MET 5 2.148 5.972 -12.316 30 HE3 MET 5 HE3 MET 5 1.867 7.286 -11.146 31 H LYS 6 H LYS 6 7.905 5.977 -8.584 32 HA LYS 6 HA LYS 6 10.057 6.579 -8.767 33 HB2 LYS 6 HB2 LYS 6 10.331 3.857 -10.076 34 HB3 LYS 6 HB3 LYS 6 11.655 4.822 -9.397 35 HG2 LYS 6 HG2 LYS 6 10.587 4.746 -7.168 36 HG3 LYS 6 HG3 LYS 6 9.232 3.816 -7.842 37 HD2 LYS 6 HD2 LYS 6 10.759 2.284 -6.742 38 HD3 LYS 6 HD3 LYS 6 10.790 2.006 -8.486 39 HE2 LYS 6 HE2 LYS 6 13.053 1.925 -7.594 40 HE3 LYS 6 HE3 LYS 6 12.886 3.327 -8.662 41 HZ1 LYS 6 HZ1 LYS 6 12.748 3.399 -5.714 42 HZ2 LYS 6 HZ2 LYS 6 14.028 3.871 -6.621 43 HZ3 LYS 6 HZ3 LYS 6 12.612 4.698 -6.713 44 H THR 7 H THR 7 8.282 7.355 -11.043 45 HA THR 7 HA THR 7 9.811 7.362 -13.473 46 HB THR 7 HB THR 7 8.306 9.404 -13.919 47 HG1 THR 7 HG1 THR 7 6.632 9.641 -12.375 48 HG21 THR 7 HG21 THR 7 6.949 6.846 -12.982 49 HG22 THR 7 HG22 THR 7 6.256 8.080 -14.064 50 HG23 THR 7 HG23 THR 7 7.655 7.121 -14.595 51 H CYS 8 H CYS 8 10.880 9.288 -14.371 52 HA CYS 8 HA CYS 8 12.680 10.492 -12.437 53 HB2 CYS 8 HB2 CYS 8 12.379 10.744 -15.452 54 HB3 CYS 8 HB3 CYS 8 13.661 11.525 -14.500 55 HG CYS 8 HG CYS 8 12.924 8.316 -14.789 56 H VAL 9 H VAL 9 9.584 11.382 -13.511 57 HA VAL 9 HA VAL 9 10.027 14.236 -13.597 58 HB VAL 9 HB VAL 9 8.242 13.014 -14.837 59 HG11 VAL 9 HG11 VAL 9 6.131 12.529 -13.662 60 HG12 VAL 9 HG12 VAL 9 7.454 11.549 -13.004 61 HG13 VAL 9 HG13 VAL 9 6.872 12.977 -12.109 62 HG21 VAL 9 HG21 VAL 9 8.225 15.477 -14.504 63 HG22 VAL 9 HG22 VAL 9 6.587 14.790 -14.575 64 HG23 VAL 9 HG23 VAL 9 7.282 15.256 -13.010 65 H VAL 10 H VAL 10 9.349 15.822 -12.152 66 HA VAL 10 HA VAL 10 8.663 15.039 -9.391 67 HB VAL 10 HB VAL 10 10.476 16.419 -8.463 68 HG11 VAL 10 HG11 VAL 10 11.589 14.274 -10.317 69 HG12 VAL 10 HG12 VAL 10 12.344 14.902 -8.835 70 HG13 VAL 10 HG13 VAL 10 10.834 13.975 -8.735 71 HG21 VAL 10 HG21 VAL 10 10.850 17.927 -10.381 72 HG22 VAL 10 HG22 VAL 10 12.363 17.144 -9.893 73 HG23 VAL 10 HG23 VAL 10 11.496 16.571 -11.332 74 H GLU 11 H GLU 11 7.966 16.927 -8.114 75 HA GLU 11 HA GLU 11 6.506 18.834 -9.772 76 HB2 GLU 11 HB2 GLU 11 6.766 18.520 -6.758 77 HB3 GLU 11 HB3 GLU 11 5.652 19.630 -7.575 78 HG2 GLU 11 HG2 GLU 11 5.674 16.597 -7.885 79 HG3 GLU 11 HG3 GLU 11 4.567 17.517 -6.860 80 H LYS 12 H LYS 12 6.581 21.147 -9.410 81 HA LYS 12 HA LYS 12 9.114 22.232 -8.375 82 HB2 LYS 12 HB2 LYS 12 8.332 22.220 -11.289 83 HB3 LYS 12 HB3 LYS 12 9.213 23.603 -10.617 84 HG2 LYS 12 HG2 LYS 12 10.980 22.119 -9.767 85 HG3 LYS 12 HG3 LYS 12 10.163 20.715 -10.497 86 HD2 LYS 12 HD2 LYS 12 10.421 21.669 -12.726 87 HD3 LYS 12 HD3 LYS 12 11.106 23.164 -12.044 88 HE2 LYS 12 HE2 LYS 12 12.991 21.893 -11.099 89 HE3 LYS 12 HE3 LYS 12 12.330 20.387 -11.746 90 HZ1 LYS 12 HZ1 LYS 12 14.019 21.292 -13.180 91 HZ2 LYS 12 HZ2 LYS 12 12.569 21.307 -13.955 92 HZ3 LYS 12 HZ3 LYS 12 13.200 22.701 -13.355 93 H ILE 13 H ILE 13 9.124 24.354 -7.885 94 HA ILE 13 HA ILE 13 6.813 26.068 -8.501 95 HB ILE 13 HB ILE 13 7.767 25.401 -5.689 96 HG12 ILE 13 HG12 ILE 13 5.019 25.265 -7.016 97 HG13 ILE 13 HG13 ILE 13 6.048 23.885 -6.594 98 HG21 ILE 13 HG21 ILE 13 5.939 27.655 -6.605 99 HG22 ILE 13 HG22 ILE 13 6.222 27.183 -4.918 100 HG23 ILE 13 HG23 ILE 13 7.555 27.833 -5.865 101 HD11 ILE 13 HD11 ILE 13 4.678 25.810 -4.676 102 HD12 ILE 13 HD12 ILE 13 4.398 24.078 -4.878 103 HD13 ILE 13 HD13 ILE 13 5.928 24.644 -4.175 104 H LYS 14 H LYS 14 7.365 28.320 -8.350 105 HA LYS 14 HA LYS 14 10.200 28.959 -7.796 106 HB2 LYS 14 HB2 LYS 14 10.116 28.520 -10.197 107 HB3 LYS 14 HB3 LYS 14 8.729 29.614 -10.376 108 HG2 LYS 14 HG2 LYS 14 10.134 31.523 -9.643 109 HG3 LYS 14 HG3 LYS 14 11.518 30.419 -9.461 110 HD2 LYS 14 HD2 LYS 14 11.371 29.849 -11.865 111 HD3 LYS 14 HD3 LYS 14 10.002 30.976 -12.050 112 HE2 LYS 14 HE2 LYS 14 11.450 32.840 -11.303 113 HE3 LYS 14 HE3 LYS 14 12.807 31.714 -11.115 114 HZ1 LYS 14 HZ1 LYS 14 12.900 32.855 -13.216 115 HZ2 LYS 14 HZ2 LYS 14 12.664 31.246 -13.467 116 HZ3 LYS 14 HZ3 LYS 14 11.413 32.296 -13.645 117 H GLN 15 H GLN 15 10.515 31.000 -6.940 118 HA GLN 15 HA GLN 15 8.391 32.987 -7.042 119 HB2 GLN 15 HB2 GLN 15 7.498 31.533 -5.313 120 HB3 GLN 15 HB3 GLN 15 9.046 31.551 -4.444 121 HG2 GLN 15 HG2 GLN 15 7.371 33.078 -3.413 122 HG3 GLN 15 HG3 GLN 15 8.816 33.922 -3.967 123 HE21 GLN 15 HE21 GLN 15 7.988 35.946 -4.422 124 HE22 GLN 15 HE22 GLN 15 6.731 36.244 -5.608 125 H TRP 16 H TRP 16 9.043 35.038 -6.309 126 HA TRP 16 HA TRP 16 11.971 35.409 -6.168 127 HB2 TRP 16 HB2 TRP 16 9.700 37.405 -6.487 128 HB3 TRP 16 HB3 TRP 16 11.422 37.733 -6.694 129 HD1 TRP 16 HD1 TRP 16 8.545 35.814 -8.360 130 HE1 TRP 16 HE1 TRP 16 9.057 35.459 -10.835 131 HE3 TRP 16 HE3 TRP 16 13.277 37.760 -8.486 132 HZ2 TRP 16 HZ2 TRP 16 11.241 35.986 -12.663 133 HZ3 TRP 16 HZ3 TRP 16 14.533 37.828 -10.607 134 HH2 TRP 16 HH2 TRP 16 13.540 36.937 -12.698 135 H ILE 17 H ILE 17 12.946 36.687 -4.563 136 HA ILE 17 HA ILE 17 11.255 37.583 -2.296 137 HB ILE 17 HB ILE 17 13.410 36.959 -0.892 138 HG12 ILE 17 HG12 ILE 17 13.382 34.720 -2.969 139 HG13 ILE 17 HG13 ILE 17 14.608 35.997 -2.880 140 HG21 ILE 17 HG21 ILE 17 11.310 34.900 -1.652 141 HG22 ILE 17 HG22 ILE 17 12.241 34.954 -0.136 142 HG23 ILE 17 HG23 ILE 17 11.073 36.236 -0.497 143 HD11 ILE 17 HD11 ILE 17 15.111 35.280 -0.519 144 HD12 ILE 17 HD12 ILE 17 13.999 33.911 -0.750 145 HD13 ILE 17 HD13 ILE 17 15.466 34.042 -1.744 146 HA PRO 18 HA PRO 18 13.591 41.247 -3.128 147 HB2 PRO 18 HB2 PRO 18 13.177 42.656 -0.813 148 HB3 PRO 18 HB3 PRO 18 11.893 42.403 -2.040 149 HG2 PRO 18 HG2 PRO 18 12.384 40.801 0.488 150 HG3 PRO 18 HG3 PRO 18 10.836 41.501 -0.094 151 HD2 PRO 18 HD2 PRO 18 11.473 38.892 -0.549 152 HD3 PRO 18 HD3 PRO 18 10.648 39.857 -1.803 153 H THR 19 H THR 19 15.657 42.190 -2.537 154 HA THR 19 HA THR 19 17.413 40.228 -1.682 155 HB THR 19 HB THR 19 18.348 43.047 -1.604 156 HG1 THR 19 HG1 THR 19 18.285 43.044 -3.867 157 HG21 THR 19 HG21 THR 19 19.357 40.462 -2.861 158 HG22 THR 19 HG22 THR 19 20.205 42.023 -2.889 159 HG23 THR 19 HG23 THR 19 19.938 41.182 -1.343 160 H THR 20 H THR 20 15.691 42.369 0.380 161 HA THR 20 HA THR 20 17.585 42.234 2.541 162 HB THR 20 HB THR 20 15.883 44.063 2.132 163 HG1 THR 20 HG1 THR 20 15.671 44.362 4.358 164 HG21 THR 20 HG21 THR 20 13.665 43.767 3.134 165 HG22 THR 20 HG22 THR 20 13.898 42.573 1.845 166 HG23 THR 20 HG23 THR 20 14.045 42.078 3.546 167 H GLU 21 H GLU 21 15.387 39.929 1.323 168 HA GLU 21 HA GLU 21 15.267 38.525 3.950 169 HB2 GLU 21 HB2 GLU 21 13.759 38.022 1.355 170 HB3 GLU 21 HB3 GLU 21 13.506 37.167 2.880 171 HG2 GLU 21 HG2 GLU 21 13.031 40.132 2.379 172 HG3 GLU 21 HG3 GLU 21 11.788 38.880 2.469 173 H VAL 22 H VAL 22 16.737 38.462 0.764 174 HA VAL 22 HA VAL 22 17.293 35.665 0.663 175 HB VAL 22 HB VAL 22 18.880 37.969 -0.544 176 HG11 VAL 22 HG11 VAL 22 20.074 35.823 -0.651 177 HG12 VAL 22 HG12 VAL 22 18.637 35.044 -1.358 178 HG13 VAL 22 HG13 VAL 22 19.510 36.300 -2.260 179 HG21 VAL 22 HG21 VAL 22 16.461 38.071 -1.164 180 HG22 VAL 22 HG22 VAL 22 17.513 37.690 -2.545 181 HG23 VAL 22 HG23 VAL 22 16.579 36.399 -1.768 182 H GLY 23 H GLY 23 18.833 38.384 2.287 183 HA2 GLY 23 HA2 GLY 23 21.356 37.116 2.814 184 HA3 GLY 23 HA3 GLY 23 20.697 38.561 3.604 185 H LYS 24 H LYS 24 18.229 36.499 4.094 186 HA LYS 24 HA LYS 24 19.298 35.642 6.733 187 HB2 LYS 24 HB2 LYS 24 16.459 35.648 5.638 188 HB3 LYS 24 HB3 LYS 24 16.941 35.330 7.316 189 HG2 LYS 24 HG2 LYS 24 17.813 37.636 7.510 190 HG3 LYS 24 HG3 LYS 24 17.368 37.951 5.813 191 HD2 LYS 24 HD2 LYS 24 14.999 37.394 6.374 192 HD3 LYS 24 HD3 LYS 24 15.463 37.255 8.084 193 HE2 LYS 24 HE2 LYS 24 16.186 39.591 8.115 194 HE3 LYS 24 HE3 LYS 24 15.915 39.727 6.365 195 HZ1 LYS 24 HZ1 LYS 24 13.600 39.324 6.741 196 HZ2 LYS 24 HZ2 LYS 24 13.824 39.212 8.371 197 HZ3 LYS 24 HZ3 LYS 24 14.090 40.642 7.602 198 H ILE 25 H ILE 25 18.215 34.400 3.621 199 HA ILE 25 HA ILE 25 17.943 31.652 4.643 200 HB ILE 25 HB ILE 25 17.733 32.820 1.849 201 HG12 ILE 25 HG12 ILE 25 15.500 32.010 3.756 202 HG13 ILE 25 HG13 ILE 25 16.039 33.679 3.491 203 HG21 ILE 25 HG21 ILE 25 18.260 30.403 1.831 204 HG22 ILE 25 HG22 ILE 25 16.883 30.091 2.915 205 HG23 ILE 25 HG23 ILE 25 16.616 30.687 1.264 206 HD11 ILE 25 HD11 ILE 25 14.099 33.251 2.106 207 HD12 ILE 25 HD12 ILE 25 15.534 33.455 1.074 208 HD13 ILE 25 HD13 ILE 25 14.869 31.833 1.379 209 H LEU 26 H LEU 26 20.253 33.666 2.870 210 HA LEU 26 HA LEU 26 22.025 31.303 2.497 211 HB2 LEU 26 HB2 LEU 26 21.843 33.742 0.708 212 HB3 LEU 26 HB3 LEU 26 22.747 32.252 0.400 213 HG LEU 26 HG LEU 26 19.704 32.435 0.599 214 HD11 LEU 26 HD11 LEU 26 20.598 33.614 -1.370 215 HD12 LEU 26 HD12 LEU 26 21.512 32.152 -1.825 216 HD13 LEU 26 HD13 LEU 26 19.733 32.127 -1.816 217 HD21 LEU 26 HD21 LEU 26 20.613 30.217 1.221 218 HD22 LEU 26 HD22 LEU 26 19.785 30.153 -0.353 219 HD23 LEU 26 HD23 LEU 26 21.561 30.178 -0.279 220 H GLY 27 H GLY 27 21.758 33.759 4.537 221 HA2 GLY 27 HA2 GLY 27 24.228 35.222 4.163 222 HA3 GLY 27 HA3 GLY 27 23.180 35.253 5.595 223 H ASN 28 H ASN 28 23.522 32.105 5.398 224 HA ASN 28 HA ASN 28 26.166 31.952 6.787 225 HB2 ASN 28 HB2 ASN 28 23.594 30.445 7.422 226 HB3 ASN 28 HB3 ASN 28 25.130 30.293 8.284 227 HD21 ASN 28 HD21 ASN 28 22.427 31.069 9.269 228 HD22 ASN 28 HD22 ASN 28 22.642 32.648 10.003 229 H ARG 29 H ARG 29 25.886 29.069 7.052 230 HA ARG 29 HA ARG 29 26.661 28.185 4.411 231 HB2 ARG 29 HB2 ARG 29 25.990 26.561 6.891 232 HB3 ARG 29 HB3 ARG 29 26.870 25.990 5.466 233 HG2 ARG 29 HG2 ARG 29 27.783 28.136 7.430 234 HG3 ARG 29 HG3 ARG 29 28.433 26.495 7.277 235 HD2 ARG 29 HD2 ARG 29 28.570 28.693 5.185 236 HD3 ARG 29 HD3 ARG 29 29.905 28.135 6.201 237 HE ARG 29 HE ARG 29 29.521 25.857 5.079 238 HH11 ARG 29 HH11 ARG 29 28.910 28.944 3.438 239 HH12 ARG 29 HH12 ARG 29 29.182 28.272 1.848 240 HH21 ARG 29 HH21 ARG 29 29.877 25.032 2.993 241 HH22 ARG 29 HH22 ARG 29 29.729 26.075 1.598 242 H ALA 30 H ALA 30 23.958 29.336 4.615 243 HA ALA 30 HA ALA 30 21.826 29.012 4.045 244 HB1 ALA 30 HB1 ALA 30 22.951 26.725 2.393 245 HB2 ALA 30 HB2 ALA 30 21.383 27.523 2.147 246 HB3 ALA 30 HB3 ALA 30 22.888 28.437 1.913 247 H ALA 31 H ALA 31 22.692 27.717 6.517 248 HA ALA 31 HA ALA 31 21.564 25.131 6.800 249 HB1 ALA 31 HB1 ALA 31 21.896 27.385 8.827 250 HB2 ALA 31 HB2 ALA 31 21.630 25.669 9.214 251 HB3 ALA 31 HB3 ALA 31 23.130 26.176 8.401 252 H VAL 32 H VAL 32 20.040 28.308 6.636 253 HA VAL 32 HA VAL 32 17.527 27.584 7.880 254 HB VAL 32 HB VAL 32 18.489 29.717 5.941 255 HG11 VAL 32 HG11 VAL 32 16.276 30.839 6.246 256 HG12 VAL 32 HG12 VAL 32 16.154 29.332 5.326 257 HG13 VAL 32 HG13 VAL 32 15.668 29.359 7.034 258 HG21 VAL 32 HG21 VAL 32 18.081 31.215 7.850 259 HG22 VAL 32 HG22 VAL 32 17.448 29.859 8.802 260 HG23 VAL 32 HG23 VAL 32 19.162 29.884 8.322 261 H LYS 33 H LYS 33 18.853 27.573 4.538 262 HA LYS 33 HA LYS 33 16.368 26.714 3.327 263 HB2 LYS 33 HB2 LYS 33 18.190 27.994 2.183 264 HB3 LYS 33 HB3 LYS 33 19.224 26.557 2.286 265 HG2 LYS 33 HG2 LYS 33 17.575 25.282 0.924 266 HG3 LYS 33 HG3 LYS 33 16.529 26.714 0.871 267 HD2 LYS 33 HD2 LYS 33 17.755 26.684 -1.201 268 HD3 LYS 33 HD3 LYS 33 18.428 27.983 -0.203 269 HE2 LYS 33 HE2 LYS 33 20.269 26.790 -1.190 270 HE3 LYS 33 HE3 LYS 33 20.233 26.376 0.534 271 HZ1 LYS 33 HZ1 LYS 33 19.164 24.733 -1.669 272 HZ2 LYS 33 HZ2 LYS 33 20.537 24.427 -0.816 273 HZ3 LYS 33 HZ3 LYS 33 19.066 24.324 -0.094 274 H LYS 34 H LYS 34 19.364 25.108 4.433 275 HA LYS 34 HA LYS 34 18.691 22.517 3.393 276 HB2 LYS 34 HB2 LYS 34 20.636 23.450 5.531 277 HB3 LYS 34 HB3 LYS 34 20.552 21.784 4.924 278 HG2 LYS 34 HG2 LYS 34 21.114 22.480 2.680 279 HG3 LYS 34 HG3 LYS 34 20.983 24.197 3.110 280 HD2 LYS 34 HD2 LYS 34 22.864 23.968 4.684 281 HD3 LYS 34 HD3 LYS 34 23.003 22.237 4.279 282 HE2 LYS 34 HE2 LYS 34 23.529 22.785 1.954 283 HE3 LYS 34 HE3 LYS 34 23.237 24.505 2.259 284 HZ1 LYS 34 HZ1 LYS 34 25.086 24.512 3.756 285 HZ2 LYS 34 HZ2 LYS 34 25.353 22.903 3.535 286 HZ3 LYS 34 HZ3 LYS 34 25.570 23.955 2.287 287 H HIS 35 H HIS 35 17.820 24.180 6.416 288 HA HIS 35 HA HIS 35 17.057 21.742 7.780 289 HB2 HIS 35 HB2 HIS 35 17.581 23.908 8.911 290 HB3 HIS 35 HB3 HIS 35 16.113 24.603 8.212 291 HD1 HIS 35 HD1 HIS 35 17.184 21.818 10.691 292 HD2 HIS 35 HD2 HIS 35 13.828 24.082 9.512 293 HE1 HIS 35 HE1 HIS 35 15.321 21.299 12.380 294 HE2 HIS 35 HE2 HIS 35 13.290 22.692 11.654 295 H ILE 36 H ILE 36 15.386 24.107 5.676 296 HA ILE 36 HA ILE 36 12.773 22.937 6.094 297 HB ILE 36 HB ILE 36 13.928 24.896 4.091 298 HG12 ILE 36 HG12 ILE 36 11.935 25.206 6.380 299 HG13 ILE 36 HG13 ILE 36 13.670 25.549 6.492 300 HG21 ILE 36 HG21 ILE 36 11.022 24.002 4.395 301 HG22 ILE 36 HG22 ILE 36 11.596 25.334 3.360 302 HG23 ILE 36 HG23 ILE 36 12.063 23.670 2.993 303 HD11 ILE 36 HD11 ILE 36 13.434 27.246 4.684 304 HD12 ILE 36 HD12 ILE 36 11.670 26.973 4.691 305 HD13 ILE 36 HD13 ILE 36 12.475 27.628 6.129 306 H GLU 37 H GLU 37 15.468 22.301 3.879 307 HA GLU 37 HA GLU 37 14.002 20.648 2.049 308 HB2 GLU 37 HB2 GLU 37 16.920 20.770 2.874 309 HB3 GLU 37 HB3 GLU 37 16.316 19.698 1.599 310 HG2 GLU 37 HG2 GLU 37 15.477 21.590 0.315 311 HG3 GLU 37 HG3 GLU 37 15.907 22.714 1.611 312 H ARG 38 H ARG 38 15.514 20.033 5.218 313 HA ARG 38 HA ARG 38 15.048 17.145 5.008 314 HB2 ARG 38 HB2 ARG 38 16.031 18.918 7.282 315 HB3 ARG 38 HB3 ARG 38 15.946 17.149 7.346 316 HG2 ARG 38 HG2 ARG 38 17.501 16.985 5.439 317 HG3 ARG 38 HG3 ARG 38 17.569 18.755 5.318 318 HD2 ARG 38 HD2 ARG 38 18.467 18.872 7.624 319 HD3 ARG 38 HD3 ARG 38 18.430 17.104 7.729 320 HE ARG 38 HE ARG 38 20.039 17.065 5.818 321 HH11 ARG 38 HH11 ARG 38 19.843 19.960 7.846 322 HH12 ARG 38 HH12 ARG 38 21.481 20.455 7.491 323 HH21 ARG 38 HH21 ARG 38 22.154 17.747 5.362 324 HH22 ARG 38 HH22 ARG 38 22.783 19.205 6.093 325 H GLN 39 H GLN 39 13.266 19.926 6.004 326 HA GLN 39 HA GLN 39 11.590 18.572 7.949 327 HB2 GLN 39 HB2 GLN 39 12.035 20.961 8.119 328 HB3 GLN 39 HB3 GLN 39 11.418 21.227 6.482 329 HG2 GLN 39 HG2 GLN 39 9.755 21.921 8.141 330 HG3 GLN 39 HG3 GLN 39 9.159 20.592 7.160 331 HE21 GLN 39 HE21 GLN 39 7.605 20.052 8.790 332 HE22 GLN 39 HE22 GLN 39 8.086 19.222 10.254 333 H PHE 40 H PHE 40 11.549 19.062 4.460 334 HA PHE 40 HA PHE 40 8.902 17.706 4.366 335 HB2 PHE 40 HB2 PHE 40 9.817 20.029 2.647 336 HB3 PHE 40 HB3 PHE 40 8.300 19.151 2.468 337 HD1 PHE 40 HD1 PHE 40 9.610 22.103 3.650 338 HD2 PHE 40 HD2 PHE 40 6.987 18.936 4.919 339 HE1 PHE 40 HE1 PHE 40 8.509 23.652 5.233 340 HE2 PHE 40 HE2 PHE 40 5.896 20.486 6.512 341 HZ PHE 40 HZ PHE 40 6.657 22.849 6.672 342 H ASN 41 H ASN 41 11.998 17.140 3.815 343 HA ASN 41 HA ASN 41 13.235 15.891 2.430 344 HB2 ASN 41 HB2 ASN 41 11.407 14.271 3.091 345 HB3 ASN 41 HB3 ASN 41 10.625 14.617 1.540 346 HD21 ASN 41 HD21 ASN 41 10.866 12.452 0.809 347 HD22 ASN 41 HD22 ASN 41 12.429 11.810 0.347 348 H CYS 42 H CYS 42 11.916 18.444 1.381 349 HA CYS 42 HA CYS 42 11.935 17.986 -1.529 350 HB2 CYS 42 HB2 CYS 42 11.192 20.319 -1.617 351 HB3 CYS 42 HB3 CYS 42 10.217 19.420 -0.441 352 HG CYS 42 HG CYS 42 12.771 21.462 0.006 353 H VAL 43 H VAL 43 13.090 19.950 -2.709 354 HA VAL 43 HA VAL 43 15.748 20.501 -1.491 355 HB VAL 43 HB VAL 43 15.194 19.591 -4.336 356 HG11 VAL 43 HG11 VAL 43 16.920 21.334 -4.333 357 HG12 VAL 43 HG12 VAL 43 17.778 20.502 -3.017 358 HG13 VAL 43 HG13 VAL 43 17.653 19.749 -4.626 359 HG21 VAL 43 HG21 VAL 43 16.826 18.341 -2.088 360 HG22 VAL 43 HG22 VAL 43 15.261 17.744 -2.693 361 HG23 VAL 43 HG23 VAL 43 16.688 17.708 -3.747 362 H ILE 44 H ILE 44 16.594 22.578 -2.038 363 HA ILE 44 HA ILE 44 14.738 24.343 -3.561 364 HB ILE 44 HB ILE 44 16.002 24.945 -0.875 365 HG12 ILE 44 HG12 ILE 44 13.067 24.620 -1.612 366 HG13 ILE 44 HG13 ILE 44 14.043 23.396 -0.782 367 HG21 ILE 44 HG21 ILE 44 15.876 26.931 -2.386 368 HG22 ILE 44 HG22 ILE 44 14.141 26.632 -2.609 369 HG23 ILE 44 HG23 ILE 44 14.778 27.090 -1.013 370 HD11 ILE 44 HD11 ILE 44 13.382 26.167 0.272 371 HD12 ILE 44 HD12 ILE 44 12.771 24.613 0.865 372 HD13 ILE 44 HD13 ILE 44 14.494 25.015 1.053 373 H THR 45 H THR 45 15.693 25.942 -4.752 374 HA THR 45 HA THR 45 18.631 26.093 -4.687 375 HB THR 45 HB THR 45 17.234 25.818 -7.322 376 HG1 THR 45 HG1 THR 45 17.805 23.653 -7.248 377 HG21 THR 45 HG21 THR 45 19.519 25.092 -8.011 378 HG22 THR 45 HG22 THR 45 19.479 26.757 -7.403 379 HG23 THR 45 HG23 THR 45 20.098 25.441 -6.368 380 H VAL 46 H VAL 46 19.580 27.997 -5.008 381 HA VAL 46 HA VAL 46 17.817 30.282 -5.560 382 HB VAL 46 HB VAL 46 19.431 30.238 -3.606 383 HG11 VAL 46 HG11 VAL 46 21.451 30.780 -5.823 384 HG12 VAL 46 HG12 VAL 46 21.748 30.905 -4.078 385 HG13 VAL 46 HG13 VAL 46 21.399 29.324 -4.800 386 HG21 VAL 46 HG21 VAL 46 19.596 32.518 -5.618 387 HG22 VAL 46 HG22 VAL 46 18.322 32.271 -4.399 388 HG23 VAL 46 HG23 VAL 46 19.990 32.619 -3.896 389 H HIS 47 H HIS 47 18.336 31.936 -7.089 390 HA HIS 47 HA HIS 47 20.172 31.145 -9.275 391 HB2 HIS 47 HB2 HIS 47 17.231 31.828 -9.454 392 HB3 HIS 47 HB3 HIS 47 18.330 32.086 -10.820 393 HD1 HIS 47 HD1 HIS 47 19.622 29.819 -11.722 394 HD2 HIS 47 HD2 HIS 47 16.352 29.352 -9.112 395 HE1 HIS 47 HE1 HIS 47 18.858 27.367 -11.945 396 HE2 HIS 47 HE2 HIS 47 16.837 27.112 -10.378 397 H THR 48 H THR 48 21.280 32.707 -7.627 398 HA THR 48 HA THR 48 20.539 35.427 -7.661 399 HB THR 48 HB THR 48 22.383 35.915 -6.421 400 HG1 THR 48 HG1 THR 48 24.280 34.687 -6.502 401 HG21 THR 48 HG21 THR 48 22.029 32.917 -5.945 402 HG22 THR 48 HG22 THR 48 22.695 34.098 -4.800 403 HG23 THR 48 HG23 THR 48 20.992 34.205 -5.272 404 H GLU 49 H GLU 49 21.894 33.689 -10.230 405 HA GLU 49 HA GLU 49 23.338 35.907 -11.404 406 HB2 GLU 49 HB2 GLU 49 23.479 34.530 -13.358 407 HB3 GLU 49 HB3 GLU 49 23.838 33.534 -11.952 408 HG2 GLU 49 HG2 GLU 49 21.082 33.630 -13.266 409 HG3 GLU 49 HG3 GLU 49 22.360 32.546 -13.804 410 H VAL 50 H VAL 50 20.048 35.316 -10.875 411 HA VAL 50 HA VAL 50 19.201 36.909 -13.221 412 HB VAL 50 HB VAL 50 17.467 35.479 -11.200 413 HG11 VAL 50 HG11 VAL 50 16.909 36.631 -13.966 414 HG12 VAL 50 HG12 VAL 50 15.771 35.639 -13.028 415 HG13 VAL 50 HG13 VAL 50 16.260 37.222 -12.414 416 HG21 VAL 50 HG21 VAL 50 17.198 33.726 -12.926 417 HG22 VAL 50 HG22 VAL 50 18.436 34.526 -13.925 418 HG23 VAL 50 HG23 VAL 50 18.867 33.827 -12.346 419 H GLN 51 H GLN 51 17.996 38.793 -13.022 420 HA GLN 51 HA GLN 51 17.547 39.917 -10.320 421 HB2 GLN 51 HB2 GLN 51 19.082 41.260 -12.573 422 HB3 GLN 51 HB3 GLN 51 18.361 42.153 -11.233 423 HG2 GLN 51 HG2 GLN 51 20.390 39.912 -10.842 424 HG3 GLN 51 HG3 GLN 51 20.817 41.617 -10.974 425 HE21 GLN 51 HE21 GLN 51 19.320 39.170 -8.931 426 HE22 GLN 51 HE22 GLN 51 19.188 40.174 -7.493 427 H SER 52 H SER 52 15.500 40.565 -10.188 428 HA SER 52 HA SER 52 13.790 40.662 -12.528 429 HB2 SER 52 HB2 SER 52 12.042 41.094 -10.937 430 HB3 SER 52 HB3 SER 52 13.134 39.907 -10.198 431 HG SER 52 HG SER 52 12.512 41.700 -8.840 432 H SER 53 H SER 53 12.150 42.702 -12.419 433 HA SER 53 HA SER 53 13.633 44.974 -13.319 434 HB2 SER 53 HB2 SER 53 11.378 44.358 -14.132 435 HB3 SER 53 HB3 SER 53 10.716 44.658 -12.515 436 HG SER 53 HG SER 53 11.939 46.554 -14.238 437 H PHE 54 H PHE 54 13.038 43.824 -10.210 438 HA PHE 54 HA PHE 54 13.661 46.447 -9.080 439 HB2 PHE 54 HB2 PHE 54 12.225 45.762 -7.051 440 HB3 PHE 54 HB3 PHE 54 11.533 46.501 -8.496 441 HD1 PHE 54 HD1 PHE 54 12.064 43.195 -6.847 442 HD2 PHE 54 HD2 PHE 54 9.856 45.446 -9.762 443 HE1 PHE 54 HE1 PHE 54 10.488 41.290 -7.127 444 HE2 PHE 54 HE2 PHE 54 8.288 43.542 -10.042 445 HZ PHE 54 HZ PHE 54 8.606 41.464 -8.727 446 H GLY 55 H GLY 55 15.211 43.872 -9.656 447 HA2 GLY 55 HA2 GLY 55 17.293 43.315 -8.881 448 HA3 GLY 55 HA3 GLY 55 17.060 44.386 -7.486 449 H ALA 56 H ALA 56 14.407 42.257 -7.683 450 HA ALA 56 HA ALA 56 15.247 40.860 -5.308 451 HB1 ALA 56 HB1 ALA 56 12.903 41.441 -5.716 452 HB2 ALA 56 HB2 ALA 56 12.890 40.409 -7.173 453 HB3 ALA 56 HB3 ALA 56 13.087 39.681 -5.568 454 H THR 57 H THR 57 15.352 38.534 -5.068 455 HA THR 57 HA THR 57 16.578 37.263 -7.425 456 HB THR 57 HB THR 57 17.107 36.309 -4.651 457 HG1 THR 57 HG1 THR 57 18.880 37.715 -4.678 458 HG21 THR 57 HG21 THR 57 18.647 36.287 -7.276 459 HG22 THR 57 HG22 THR 57 19.230 35.627 -5.729 460 HG23 THR 57 HG23 THR 57 17.823 34.894 -6.530 461 HA PRO 58 HA PRO 58 13.245 34.343 -7.289 462 HB2 PRO 58 HB2 PRO 58 13.805 32.942 -9.537 463 HB3 PRO 58 HB3 PRO 58 13.263 34.652 -9.619 464 HG2 PRO 58 HG2 PRO 58 16.097 33.582 -9.745 465 HG3 PRO 58 HG3 PRO 58 15.319 34.790 -10.822 466 HD2 PRO 58 HD2 PRO 58 16.911 35.440 -8.660 467 HD3 PRO 58 HD3 PRO 58 15.568 36.484 -9.226 468 H VAL 59 H VAL 59 12.943 32.211 -6.704 469 HA VAL 59 HA VAL 59 15.288 30.458 -6.515 470 HB VAL 59 HB VAL 59 15.081 29.879 -4.308 471 HG11 VAL 59 HG11 VAL 59 15.107 31.931 -2.989 472 HG12 VAL 59 HG12 VAL 59 15.942 32.204 -4.531 473 HG13 VAL 59 HG13 VAL 59 14.287 32.821 -4.290 474 HG21 VAL 59 HG21 VAL 59 12.688 29.448 -4.187 475 HG22 VAL 59 HG22 VAL 59 13.187 30.487 -2.849 476 HG23 VAL 59 HG23 VAL 59 12.344 31.195 -4.250 477 H GLU 60 H GLU 60 14.776 28.168 -6.247 478 HA GLU 60 HA GLU 60 12.094 27.491 -7.346 479 HB2 GLU 60 HB2 GLU 60 14.828 26.508 -8.200 480 HB3 GLU 60 HB3 GLU 60 13.319 25.675 -8.631 481 HG2 GLU 60 HG2 GLU 60 12.475 27.666 -9.751 482 HG3 GLU 60 HG3 GLU 60 13.902 28.592 -9.255 483 H ILE 61 H ILE 61 11.384 25.333 -6.938 484 HA ILE 61 HA ILE 61 12.669 23.991 -4.618 485 HB ILE 61 HB ILE 61 9.698 24.553 -4.867 486 HG12 ILE 61 HG12 ILE 61 11.767 25.898 -3.091 487 HG13 ILE 61 HG13 ILE 61 10.907 26.642 -4.453 488 HG21 ILE 61 HG21 ILE 61 11.333 23.410 -2.565 489 HG22 ILE 61 HG22 ILE 61 9.575 23.676 -2.572 490 HG23 ILE 61 HG23 ILE 61 10.275 22.471 -3.647 491 HD11 ILE 61 HD11 ILE 61 8.742 26.217 -3.290 492 HD12 ILE 61 HD12 ILE 61 9.663 25.671 -1.861 493 HD13 ILE 61 HD13 ILE 61 9.822 27.342 -2.436 494 H VAL 62 H VAL 62 12.318 21.748 -4.548 495 HA VAL 62 HA VAL 62 10.785 20.513 -6.764 496 HB VAL 62 HB VAL 62 13.675 19.854 -6.077 497 HG11 VAL 62 HG11 VAL 62 11.753 18.635 -8.098 498 HG12 VAL 62 HG12 VAL 62 13.491 18.271 -7.986 499 HG13 VAL 62 HG13 VAL 62 12.414 17.832 -6.651 500 HG21 VAL 62 HG21 VAL 62 13.501 21.892 -7.449 501 HG22 VAL 62 HG22 VAL 62 14.141 20.545 -8.408 502 HG23 VAL 62 HG23 VAL 62 12.444 21.037 -8.596 503 H ALA 63 H ALA 63 9.791 18.595 -6.194 504 HA ALA 63 HA ALA 63 10.639 17.114 -3.832 505 HB1 ALA 63 HB1 ALA 63 8.560 17.394 -2.580 506 HB2 ALA 63 HB2 ALA 63 9.317 18.978 -2.828 507 HB3 ALA 63 HB3 ALA 63 7.925 18.491 -3.824 508 H GLN 64 H GLN 64 9.206 15.209 -3.451 509 HA GLN 64 HA GLN 64 8.632 13.915 -5.983 510 HB2 GLN 64 HB2 GLN 64 8.041 13.008 -3.141 511 HB3 GLN 64 HB3 GLN 64 8.165 11.977 -4.572 512 HG2 GLN 64 HG2 GLN 64 10.403 13.576 -3.268 513 HG3 GLN 64 HG3 GLN 64 10.193 11.831 -3.184 514 HE21 GLN 64 HE21 GLN 64 12.594 12.979 -4.099 515 HE22 GLN 64 HE22 GLN 64 12.768 12.641 -5.809 516 H ASN 65 H ASN 65 6.811 15.914 -3.871 517 HA ASN 65 HA ASN 65 4.263 15.149 -5.142 518 HB2 ASN 65 HB2 ASN 65 4.747 15.123 -2.136 519 HB3 ASN 65 HB3 ASN 65 3.167 14.929 -2.923 520 HD21 ASN 65 HD21 ASN 65 5.974 13.364 -1.764 521 HD22 ASN 65 HD22 ASN 65 5.616 11.756 -2.359 522 H LYS 66 H LYS 66 2.645 16.802 -4.941 523 HA LYS 66 HA LYS 66 3.652 19.487 -4.605 524 HB2 LYS 66 HB2 LYS 66 0.800 18.432 -4.788 525 HB3 LYS 66 HB3 LYS 66 1.288 20.135 -4.912 526 HG2 LYS 66 HG2 LYS 66 2.666 19.592 -6.902 527 HG3 LYS 66 HG3 LYS 66 2.145 17.892 -6.793 528 HD2 LYS 66 HD2 LYS 66 -0.209 18.585 -7.063 529 HD3 LYS 66 HD3 LYS 66 0.298 20.284 -7.188 530 HE2 LYS 66 HE2 LYS 66 1.660 19.725 -9.183 531 HE3 LYS 66 HE3 LYS 66 1.162 18.028 -9.049 532 HZ1 LYS 66 HZ1 LYS 66 -0.636 20.315 -9.517 533 HZ2 LYS 66 HZ2 LYS 66 -0.162 19.210 -10.646 534 HZ3 LYS 66 HZ3 LYS 66 -1.111 18.749 -9.383 535 H GLU 67 H GLU 67 2.252 17.097 -2.482 536 HA GLU 67 HA GLU 67 1.424 18.921 -0.399 537 HB2 GLU 67 HB2 GLU 67 2.079 15.945 -0.325 538 HB3 GLU 67 HB3 GLU 67 1.215 16.843 0.930 539 HG2 GLU 67 HG2 GLU 67 0.278 16.477 -1.954 540 HG3 GLU 67 HG3 GLU 67 -0.288 15.538 -0.567 541 H GLN 68 H GLN 68 4.481 18.171 -1.553 542 HA GLN 68 HA GLN 68 5.710 18.772 1.104 543 HB2 GLN 68 HB2 GLN 68 6.686 17.037 -1.185 544 HB3 GLN 68 HB3 GLN 68 7.719 17.548 0.163 545 HG2 GLN 68 HG2 GLN 68 6.360 16.377 1.768 546 HG3 GLN 68 HG3 GLN 68 5.095 16.056 0.580 547 HE21 GLN 68 HE21 GLN 68 6.675 14.162 2.243 548 HE22 GLN 68 HE22 GLN 68 7.414 13.057 1.096 549 H CYS 69 H CYS 69 5.442 19.571 -2.321 550 HA CYS 69 HA CYS 69 7.805 21.278 -2.340 551 HB2 CYS 69 HB2 CYS 69 6.724 20.059 -4.328 552 HB3 CYS 69 HB3 CYS 69 5.437 21.287 -4.257 553 HG CYS 69 HG CYS 69 7.099 21.907 -6.161 554 H GLN 70 H GLN 70 4.255 21.675 -1.955 555 HA GLN 70 HA GLN 70 4.353 24.563 -2.011 556 HB2 GLN 70 HB2 GLN 70 2.241 22.595 -1.062 557 HB3 GLN 70 HB3 GLN 70 2.019 24.352 -1.132 558 HG2 GLN 70 HG2 GLN 70 2.419 24.344 -3.558 559 HG3 GLN 70 HG3 GLN 70 2.805 22.618 -3.523 560 HE21 GLN 70 HE21 GLN 70 1.039 22.838 -5.283 561 HE22 GLN 70 HE22 GLN 70 -0.602 22.569 -4.731 562 H GLU 71 H GLU 71 4.782 22.130 0.518 563 HA GLU 71 HA GLU 71 4.179 23.915 2.702 564 HB2 GLU 71 HB2 GLU 71 5.830 21.358 2.598 565 HB3 GLU 71 HB3 GLU 71 5.268 22.162 4.075 566 HG2 GLU 71 HG2 GLU 71 3.466 21.048 1.891 567 HG3 GLU 71 HG3 GLU 71 3.861 20.230 3.410 568 H ALA 72 H ALA 72 7.103 23.157 0.817 569 HA ALA 72 HA ALA 72 8.835 24.730 2.551 570 HB1 ALA 72 HB1 ALA 72 9.181 23.676 -0.292 571 HB2 ALA 72 HB2 ALA 72 10.465 24.375 0.722 572 HB3 ALA 72 HB3 ALA 72 9.676 22.853 1.199 573 H ARG 73 H ARG 73 6.863 25.266 -0.360 574 HA ARG 73 HA ARG 73 7.960 27.796 -1.114 575 HB2 ARG 73 HB2 ARG 73 6.632 26.548 -2.683 576 HB3 ARG 73 HB3 ARG 73 5.295 26.414 -1.527 577 HG2 ARG 73 HG2 ARG 73 4.759 28.032 -3.268 578 HG3 ARG 73 HG3 ARG 73 4.822 28.787 -1.675 579 HD2 ARG 73 HD2 ARG 73 7.043 29.722 -2.158 580 HD3 ARG 73 HD3 ARG 73 7.110 28.837 -3.687 581 HE ARG 73 HE ARG 73 5.897 30.513 -4.667 582 HH11 ARG 73 HH11 ARG 73 5.232 30.620 -1.197 583 HH12 ARG 73 HH12 ARG 73 4.209 32.030 -1.318 584 HH21 ARG 73 HH21 ARG 73 4.613 32.378 -4.792 585 HH22 ARG 73 HH22 ARG 73 3.879 33.038 -3.352 586 H ASN 74 H ASN 74 5.441 26.855 1.207 587 HA ASN 74 HA ASN 74 4.858 29.690 1.749 588 HB2 ASN 74 HB2 ASN 74 3.662 27.059 2.665 589 HB3 ASN 74 HB3 ASN 74 3.190 28.613 3.380 590 HD21 ASN 74 HD21 ASN 74 2.763 26.463 0.711 591 HD22 ASN 74 HD22 ASN 74 1.683 27.489 -0.214 592 H ALA 75 H ALA 75 7.005 27.259 2.970 593 HA ALA 75 HA ALA 75 7.109 28.410 5.657 594 HB1 ALA 75 HB1 ALA 75 8.947 26.783 5.968 595 HB2 ALA 75 HB2 ALA 75 7.479 26.015 5.330 596 HB3 ALA 75 HB3 ALA 75 8.852 26.355 4.244 597 H VAL 76 H VAL 76 8.957 28.674 2.589 598 HA VAL 76 HA VAL 76 11.165 30.054 3.905 599 HB VAL 76 HB VAL 76 10.375 29.604 0.991 600 HG11 VAL 76 HG11 VAL 76 12.912 30.838 2.135 601 HG12 VAL 76 HG12 VAL 76 12.718 30.301 0.452 602 HG13 VAL 76 HG13 VAL 76 11.735 31.641 1.058 603 HG21 VAL 76 HG21 VAL 76 12.597 28.417 2.708 604 HG22 VAL 76 HG22 VAL 76 11.074 27.597 2.307 605 HG23 VAL 76 HG23 VAL 76 12.234 27.996 1.022 606 H MET 77 H MET 77 8.025 30.911 2.738 607 HA MET 77 HA MET 77 8.798 33.703 2.195 608 HB2 MET 77 HB2 MET 77 6.170 32.214 1.874 609 HB3 MET 77 HB3 MET 77 6.478 33.887 1.352 610 HG2 MET 77 HG2 MET 77 8.086 31.474 0.435 611 HG3 MET 77 HG3 MET 77 6.742 32.146 -0.474 612 HE1 MET 77 HE1 MET 77 10.187 31.700 -0.709 613 HE2 MET 77 HE2 MET 77 9.071 31.738 -2.093 614 HE3 MET 77 HE3 MET 77 10.453 32.860 -2.036 615 H SER 78 H SER 78 8.059 32.048 5.002 616 HA SER 78 HA SER 78 7.205 34.557 6.270 617 HB2 SER 78 HB2 SER 78 5.064 33.667 5.510 618 HB3 SER 78 HB3 SER 78 5.436 32.084 6.225 619 HG SER 78 HG SER 78 4.102 33.412 7.550 620 H LEU 79 H LEU 79 8.037 31.064 6.627 621 HA LEU 79 HA LEU 79 8.411 31.448 9.516 622 HB2 LEU 79 HB2 LEU 79 8.954 29.038 7.736 623 HB3 LEU 79 HB3 LEU 79 8.968 29.053 9.502 624 HG LEU 79 HG LEU 79 6.548 29.594 7.726 625 HD11 LEU 79 HD11 LEU 79 5.727 27.484 8.661 626 HD12 LEU 79 HD12 LEU 79 7.268 27.230 7.814 627 HD13 LEU 79 HD13 LEU 79 7.234 27.292 9.591 628 HD21 LEU 79 HD21 LEU 79 6.387 30.923 9.786 629 HD22 LEU 79 HD22 LEU 79 5.284 29.536 9.875 630 HD23 LEU 79 HD23 LEU 79 6.827 29.498 10.762 631 H MET 80 H MET 80 10.433 30.832 6.626 632 HA MET 80 HA MET 80 12.656 30.940 6.285 633 HB2 MET 80 HB2 MET 80 12.491 33.287 8.201 634 HB3 MET 80 HB3 MET 80 13.712 33.017 6.939 635 HG2 MET 80 HG2 MET 80 11.852 33.004 5.239 636 HG3 MET 80 HG3 MET 80 10.731 33.444 6.533 637 HE1 MET 80 HE1 MET 80 13.968 36.122 4.618 638 HE2 MET 80 HE2 MET 80 14.361 34.570 5.399 639 HE3 MET 80 HE3 MET 80 13.340 34.604 3.941 640 H GLN 81 H GLN 81 11.793 29.253 8.602 641 HA GLN 81 HA GLN 81 12.613 28.084 10.328 642 HB2 GLN 81 HB2 GLN 81 14.085 27.408 8.449 643 HB3 GLN 81 HB3 GLN 81 15.308 28.557 9.009 644 HG2 GLN 81 HG2 GLN 81 14.268 26.701 11.101 645 HG3 GLN 81 HG3 GLN 81 15.072 25.903 9.750 646 HE21 GLN 81 HE21 GLN 81 16.101 25.694 12.311 647 HE22 GLN 81 HE22 GLN 81 17.626 26.559 12.381 648 H SER 82 H SER 82 12.494 31.099 10.663 649 HA SER 82 HA SER 82 14.097 31.169 13.155 650 HB2 SER 82 HB2 SER 82 15.503 32.145 11.397 651 HB3 SER 82 HB3 SER 82 14.196 33.259 10.953 652 HG SER 82 HG SER 82 15.726 34.223 12.352 653 H HIS 83 H HIS 83 11.171 31.885 11.487 654 HA HIS 83 HA HIS 83 10.283 34.107 13.071 655 HB2 HIS 83 HB2 HIS 83 9.385 33.340 10.848 656 HB3 HIS 83 HB3 HIS 83 8.626 31.972 11.676 657 HD1 HIS 83 HD1 HIS 83 8.580 35.864 12.060 658 HD2 HIS 83 HD2 HIS 83 6.144 32.430 12.336 659 HE1 HIS 83 HE1 HIS 83 6.207 36.686 12.585 660 HE2 HIS 83 HE2 HIS 83 4.737 34.597 12.760 661 H GLN 84 H GLN 84 8.543 34.042 14.686 662 HA GLN 84 HA GLN 84 8.218 31.500 16.148 663 HB2 GLN 84 HB2 GLN 84 10.262 32.429 17.078 664 HB3 GLN 84 HB3 GLN 84 9.481 33.998 17.346 665 HG2 GLN 84 HG2 GLN 84 7.995 33.045 19.016 666 HG3 GLN 84 HG3 GLN 84 8.540 31.405 18.631 667 HE21 GLN 84 HE21 GLN 84 8.715 31.808 21.185 668 HE22 GLN 84 HE22 GLN 84 10.335 32.215 21.714 669 H ASP 85 H ASP 85 7.171 34.773 15.379 670 HA ASP 85 HA ASP 85 4.965 34.713 17.256 671 HB2 ASP 85 HB2 ASP 85 5.968 36.830 16.730 672 HB3 ASP 85 HB3 ASP 85 5.704 36.589 15.001 673 H LYS 86 H LYS 86 4.402 32.472 16.428 674 HA LYS 86 HA LYS 86 2.996 32.241 13.927 675 HB2 LYS 86 HB2 LYS 86 4.139 30.410 15.155 676 HB3 LYS 86 HB3 LYS 86 2.899 30.484 16.414 677 HG2 LYS 86 HG2 LYS 86 2.303 29.940 13.478 678 HG3 LYS 86 HG3 LYS 86 2.660 28.671 14.652 679 HD2 LYS 86 HD2 LYS 86 0.725 29.448 16.049 680 HD3 LYS 86 HD3 LYS 86 0.280 30.572 14.738 681 HE2 LYS 86 HE2 LYS 86 0.137 28.673 13.169 682 HE3 LYS 86 HE3 LYS 86 0.555 27.558 14.477 683 HZ1 LYS 86 HZ1 LYS 86 -1.439 28.262 15.624 684 HZ2 LYS 86 HZ2 LYS 86 -1.822 29.298 14.403 685 HZ3 LYS 86 HZ3 LYS 86 -1.815 27.673 14.139 Start of MODEL 10 1 H1 SER 1 H SER 1 5.227 -2.515 -15.335 2 HA SER 1 HA SER 1 4.752 -0.195 -15.410 3 HB2 SER 1 HB2 SER 1 6.056 0.484 -13.419 4 HB3 SER 1 HB3 SER 1 5.372 -1.149 -13.266 5 HG SER 1 HG SER 1 7.565 -1.049 -12.624 6 H GLY 2 H GLY 2 8.362 -0.551 -15.470 7 HA2 GLY 2 HA2 GLY 2 8.747 0.982 -17.808 8 HA3 GLY 2 HA3 GLY 2 8.845 2.079 -16.420 9 H SER 3 H SER 3 11.111 2.070 -17.643 10 HA SER 3 HA SER 3 12.907 -0.100 -17.051 11 HB2 SER 3 HB2 SER 3 13.387 2.796 -17.849 12 HB3 SER 3 HB3 SER 3 14.636 1.530 -17.805 13 HG SER 3 HG SER 3 13.527 0.409 -19.377 14 H HIS 4 H HIS 4 11.541 2.249 -15.022 15 HA HIS 4 HA HIS 4 13.581 1.752 -12.945 16 HB2 HIS 4 HB2 HIS 4 12.572 4.524 -13.689 17 HB3 HIS 4 HB3 HIS 4 13.651 4.141 -12.350 18 HD1 HIS 4 HD1 HIS 4 16.019 2.681 -13.481 19 HD2 HIS 4 HD2 HIS 4 13.858 5.569 -15.659 20 HE1 HIS 4 HE1 HIS 4 17.592 3.540 -15.319 21 HE2 HIS 4 HE2 HIS 4 16.267 5.291 -16.639 22 H MET 5 H MET 5 12.780 2.240 -10.775 23 HA MET 5 HA MET 5 10.027 1.454 -10.444 24 HB2 MET 5 HB2 MET 5 11.802 0.770 -8.918 25 HB3 MET 5 HB3 MET 5 12.134 2.458 -8.491 26 HG2 MET 5 HG2 MET 5 9.930 2.693 -7.488 27 HG3 MET 5 HG3 MET 5 9.472 1.076 -8.035 28 HE1 MET 5 HE1 MET 5 12.000 -0.715 -7.398 29 HE2 MET 5 HE2 MET 5 11.595 -1.262 -5.758 30 HE3 MET 5 HE3 MET 5 10.320 -1.144 -6.993 31 H LYS 6 H LYS 6 11.569 4.502 -10.940 32 HA LYS 6 HA LYS 6 9.023 5.909 -10.537 33 HB2 LYS 6 HB2 LYS 6 10.023 6.056 -8.318 34 HB3 LYS 6 HB3 LYS 6 11.574 6.544 -9.009 35 HG2 LYS 6 HG2 LYS 6 10.468 8.479 -8.068 36 HG3 LYS 6 HG3 LYS 6 10.581 8.654 -9.822 37 HD2 LYS 6 HD2 LYS 6 8.197 7.943 -10.034 38 HD3 LYS 6 HD3 LYS 6 8.123 7.715 -8.274 39 HE2 LYS 6 HE2 LYS 6 7.154 9.881 -8.858 40 HE3 LYS 6 HE3 LYS 6 8.658 10.127 -7.959 41 HZ1 LYS 6 HZ1 LYS 6 9.771 10.483 -10.084 42 HZ2 LYS 6 HZ2 LYS 6 8.347 10.301 -10.881 43 HZ3 LYS 6 HZ3 LYS 6 8.562 11.565 -9.854 44 H THR 7 H THR 7 8.781 7.573 -11.968 45 HA THR 7 HA THR 7 10.729 7.861 -14.028 46 HB THR 7 HB THR 7 8.440 9.741 -13.831 47 HG1 THR 7 HG1 THR 7 7.112 8.086 -14.599 48 HG21 THR 7 HG21 THR 7 9.933 9.842 -15.795 49 HG22 THR 7 HG22 THR 7 9.688 8.099 -16.084 50 HG23 THR 7 HG23 THR 7 8.331 9.238 -16.258 51 H CYS 8 H CYS 8 11.662 9.837 -14.880 52 HA CYS 8 HA CYS 8 13.163 11.138 -12.820 53 HB2 CYS 8 HB2 CYS 8 14.142 12.393 -14.744 54 HB3 CYS 8 HB3 CYS 8 14.120 10.635 -15.006 55 HG CYS 8 HG CYS 8 12.078 12.974 -16.103 56 H VAL 9 H VAL 9 10.031 11.811 -13.952 57 HA VAL 9 HA VAL 9 10.166 14.675 -13.838 58 HB VAL 9 HB VAL 9 8.485 13.294 -15.105 59 HG11 VAL 9 HG11 VAL 9 6.460 12.582 -13.913 60 HG12 VAL 9 HG12 VAL 9 7.886 11.767 -13.231 61 HG13 VAL 9 HG13 VAL 9 7.131 13.141 -12.372 62 HG21 VAL 9 HG21 VAL 9 8.274 15.743 -14.729 63 HG22 VAL 9 HG22 VAL 9 6.699 14.929 -14.801 64 HG23 VAL 9 HG23 VAL 9 7.371 15.421 -13.230 65 H VAL 10 H VAL 10 9.440 16.125 -12.304 66 HA VAL 10 HA VAL 10 8.762 15.170 -9.600 67 HB VAL 10 HB VAL 10 10.504 16.605 -8.587 68 HG11 VAL 10 HG11 VAL 10 12.420 15.147 -8.940 69 HG12 VAL 10 HG12 VAL 10 10.926 14.183 -8.877 70 HG13 VAL 10 HG13 VAL 10 11.709 14.513 -10.439 71 HG21 VAL 10 HG21 VAL 10 10.903 18.160 -10.453 72 HG22 VAL 10 HG22 VAL 10 12.422 17.381 -9.956 73 HG23 VAL 10 HG23 VAL 10 11.599 16.842 -11.426 74 H GLU 11 H GLU 11 7.936 16.925 -8.255 75 HA GLU 11 HA GLU 11 6.562 18.958 -9.838 76 HB2 GLU 11 HB2 GLU 11 6.633 18.298 -6.872 77 HB3 GLU 11 HB3 GLU 11 5.653 19.603 -7.554 78 HG2 GLU 11 HG2 GLU 11 5.456 16.671 -8.360 79 HG3 GLU 11 HG3 GLU 11 4.379 17.489 -7.220 80 H LYS 12 H LYS 12 6.706 21.214 -9.487 81 HA LYS 12 HA LYS 12 9.122 22.192 -8.107 82 HB2 LYS 12 HB2 LYS 12 8.571 22.635 -11.063 83 HB3 LYS 12 HB3 LYS 12 9.728 23.571 -10.093 84 HG2 LYS 12 HG2 LYS 12 10.914 21.440 -9.527 85 HG3 LYS 12 HG3 LYS 12 9.822 20.582 -10.645 86 HD2 LYS 12 HD2 LYS 12 11.909 21.085 -11.782 87 HD3 LYS 12 HD3 LYS 12 10.623 22.083 -12.492 88 HE2 LYS 12 HE2 LYS 12 11.348 24.003 -11.134 89 HE3 LYS 12 HE3 LYS 12 12.589 23.007 -10.357 90 HZ1 LYS 12 HZ1 LYS 12 13.619 22.737 -12.511 91 HZ2 LYS 12 HZ2 LYS 12 12.455 23.654 -13.226 92 HZ3 LYS 12 HZ3 LYS 12 13.487 24.331 -12.139 93 H ILE 13 H ILE 13 9.176 24.386 -7.700 94 HA ILE 13 HA ILE 13 6.840 26.067 -8.342 95 HB ILE 13 HB ILE 13 7.822 25.437 -5.535 96 HG12 ILE 13 HG12 ILE 13 5.072 25.279 -6.844 97 HG13 ILE 13 HG13 ILE 13 6.108 23.910 -6.406 98 HG21 ILE 13 HG21 ILE 13 6.329 27.226 -4.739 99 HG22 ILE 13 HG22 ILE 13 7.605 27.880 -5.762 100 HG23 ILE 13 HG23 ILE 13 5.960 27.676 -6.420 101 HD11 ILE 13 HD11 ILE 13 4.482 24.110 -4.674 102 HD12 ILE 13 HD12 ILE 13 6.014 24.714 -4.001 103 HD13 ILE 13 HD13 ILE 13 4.742 25.856 -4.514 104 H LYS 14 H LYS 14 7.391 28.304 -8.337 105 HA LYS 14 HA LYS 14 10.148 29.026 -7.598 106 HB2 LYS 14 HB2 LYS 14 10.406 28.415 -9.917 107 HB3 LYS 14 HB3 LYS 14 8.989 29.380 -10.380 108 HG2 LYS 14 HG2 LYS 14 10.128 31.447 -9.731 109 HG3 LYS 14 HG3 LYS 14 11.513 30.521 -9.109 110 HD2 LYS 14 HD2 LYS 14 11.991 31.478 -11.327 111 HD3 LYS 14 HD3 LYS 14 12.007 29.703 -11.368 112 HE2 LYS 14 HE2 LYS 14 9.709 29.699 -12.281 113 HE3 LYS 14 HE3 LYS 14 9.664 31.469 -12.206 114 HZ1 LYS 14 HZ1 LYS 14 11.521 29.861 -13.835 115 HZ2 LYS 14 HZ2 LYS 14 10.218 30.689 -14.397 116 HZ3 LYS 14 HZ3 LYS 14 11.501 31.501 -13.759 117 H GLN 15 H GLN 15 10.327 31.096 -6.854 118 HA GLN 15 HA GLN 15 8.262 33.075 -7.379 119 HB2 GLN 15 HB2 GLN 15 7.157 31.810 -5.624 120 HB3 GLN 15 HB3 GLN 15 8.612 31.864 -4.611 121 HG2 GLN 15 HG2 GLN 15 6.906 33.510 -3.883 122 HG3 GLN 15 HG3 GLN 15 8.415 34.277 -4.358 123 HE21 GLN 15 HE21 GLN 15 7.643 36.277 -4.995 124 HE22 GLN 15 HE22 GLN 15 6.531 36.509 -6.335 125 H TRP 16 H TRP 16 8.873 35.186 -6.688 126 HA TRP 16 HA TRP 16 11.798 35.517 -6.427 127 HB2 TRP 16 HB2 TRP 16 9.569 37.508 -6.949 128 HB3 TRP 16 HB3 TRP 16 11.301 37.829 -7.029 129 HD1 TRP 16 HD1 TRP 16 8.563 35.824 -8.840 130 HE1 TRP 16 HE1 TRP 16 9.274 35.368 -11.253 131 HE3 TRP 16 HE3 TRP 16 13.289 37.785 -8.681 132 HZ2 TRP 16 HZ2 TRP 16 11.578 35.843 -12.925 133 HZ3 TRP 16 HZ3 TRP 16 14.703 37.781 -10.702 134 HH2 TRP 16 HH2 TRP 16 13.866 36.816 -12.827 135 H ILE 17 H ILE 17 12.776 36.597 -4.766 136 HA ILE 17 HA ILE 17 11.077 37.730 -2.616 137 HB ILE 17 HB ILE 17 12.385 36.791 -0.904 138 HG12 ILE 17 HG12 ILE 17 14.340 35.789 -2.998 139 HG13 ILE 17 HG13 ILE 17 14.607 37.103 -1.833 140 HG21 ILE 17 HG21 ILE 17 12.071 34.525 -2.897 141 HG22 ILE 17 HG22 ILE 17 12.068 34.412 -1.121 142 HG23 ILE 17 HG23 ILE 17 10.744 35.248 -1.954 143 HD11 ILE 17 HD11 ILE 17 14.314 35.480 0.032 144 HD12 ILE 17 HD12 ILE 17 14.189 34.164 -1.171 145 HD13 ILE 17 HD13 ILE 17 15.688 35.100 -1.027 146 HA PRO 18 HA PRO 18 13.673 41.203 -3.495 147 HB2 PRO 18 HB2 PRO 18 13.679 42.552 -1.104 148 HB3 PRO 18 HB3 PRO 18 12.240 42.459 -2.174 149 HG2 PRO 18 HG2 PRO 18 12.892 40.693 0.206 150 HG3 PRO 18 HG3 PRO 18 11.362 41.580 -0.126 151 HD2 PRO 18 HD2 PRO 18 11.624 38.968 -0.764 152 HD3 PRO 18 HD3 PRO 18 10.810 40.084 -1.908 153 H THR 19 H THR 19 15.864 41.948 -3.183 154 HA THR 19 HA THR 19 17.574 39.882 -2.427 155 HB THR 19 HB THR 19 18.646 42.654 -2.620 156 HG1 THR 19 HG1 THR 19 18.435 42.490 -4.845 157 HG21 THR 19 HG21 THR 19 20.378 41.453 -3.947 158 HG22 THR 19 HG22 THR 19 20.220 40.773 -2.314 159 HG23 THR 19 HG23 THR 19 19.492 39.928 -3.699 160 H THR 20 H THR 20 16.182 42.240 -0.338 161 HA THR 20 HA THR 20 18.205 41.975 1.706 162 HB THR 20 HB THR 20 16.688 43.960 1.357 163 HG1 THR 20 HG1 THR 20 16.624 44.290 3.602 164 HG21 THR 20 HG21 THR 20 14.531 42.672 1.239 165 HG22 THR 20 HG22 THR 20 14.751 42.202 2.938 166 HG23 THR 20 HG23 THR 20 14.518 43.911 2.508 167 H GLU 21 H GLU 21 15.732 39.883 0.646 168 HA GLU 21 HA GLU 21 15.604 38.545 3.293 169 HB2 GLU 21 HB2 GLU 21 13.884 38.326 0.802 170 HB3 GLU 21 HB3 GLU 21 13.757 37.239 2.206 171 HG2 GLU 21 HG2 GLU 21 13.342 39.130 3.688 172 HG3 GLU 21 HG3 GLU 21 13.420 40.258 2.322 173 H VAL 22 H VAL 22 17.323 38.387 0.339 174 HA VAL 22 HA VAL 22 17.536 35.532 0.113 175 HB VAL 22 HB VAL 22 19.430 37.755 -0.737 176 HG11 VAL 22 HG11 VAL 22 19.285 34.829 -1.573 177 HG12 VAL 22 HG12 VAL 22 20.286 36.071 -2.355 178 HG13 VAL 22 HG13 VAL 22 20.615 35.614 -0.677 179 HG21 VAL 22 HG21 VAL 22 17.310 36.204 -2.292 180 HG22 VAL 22 HG22 VAL 22 17.138 37.879 -1.726 181 HG23 VAL 22 HG23 VAL 22 18.371 37.478 -2.937 182 H GLY 23 H GLY 23 19.004 37.926 2.236 183 HA2 GLY 23 HA2 GLY 23 21.160 36.258 3.177 184 HA3 GLY 23 HA3 GLY 23 20.515 37.717 3.961 185 H LYS 24 H LYS 24 17.726 36.216 3.700 186 HA LYS 24 HA LYS 24 17.886 34.958 6.341 187 HB2 LYS 24 HB2 LYS 24 15.531 35.256 4.442 188 HB3 LYS 24 HB3 LYS 24 15.457 34.828 6.157 189 HG2 LYS 24 HG2 LYS 24 16.429 37.502 5.036 190 HG3 LYS 24 HG3 LYS 24 14.844 37.177 5.760 191 HD2 LYS 24 HD2 LYS 24 15.972 36.532 7.890 192 HD3 LYS 24 HD3 LYS 24 17.539 36.943 7.171 193 HE2 LYS 24 HE2 LYS 24 16.755 38.803 8.530 194 HE3 LYS 24 HE3 LYS 24 16.757 39.278 6.825 195 HZ1 LYS 24 HZ1 LYS 24 14.388 38.367 8.325 196 HZ2 LYS 24 HZ2 LYS 24 14.728 39.928 7.981 197 HZ3 LYS 24 HZ3 LYS 24 14.401 38.884 6.759 198 H ILE 25 H ILE 25 18.638 33.888 3.290 199 HA ILE 25 HA ILE 25 17.813 31.096 3.956 200 HB ILE 25 HB ILE 25 17.995 32.364 1.198 201 HG12 ILE 25 HG12 ILE 25 15.515 31.636 2.811 202 HG13 ILE 25 HG13 ILE 25 16.067 33.277 2.416 203 HG21 ILE 25 HG21 ILE 25 16.998 29.630 2.092 204 HG22 ILE 25 HG22 ILE 25 16.998 30.245 0.422 205 HG23 ILE 25 HG23 ILE 25 18.531 29.959 1.247 206 HD11 ILE 25 HD11 ILE 25 15.889 32.695 -0.020 207 HD12 ILE 25 HD12 ILE 25 15.107 31.164 0.457 208 HD13 ILE 25 HD13 ILE 25 14.340 32.710 0.854 209 H LEU 26 H LEU 26 20.232 33.304 2.563 210 HA LEU 26 HA LEU 26 22.156 31.027 2.408 211 HB2 LEU 26 HB2 LEU 26 22.186 33.596 0.805 212 HB3 LEU 26 HB3 LEU 26 23.216 32.179 0.572 213 HG LEU 26 HG LEU 26 20.193 32.266 0.133 214 HD11 LEU 26 HD11 LEU 26 21.499 33.567 -1.508 215 HD12 LEU 26 HD12 LEU 26 22.539 32.155 -1.806 216 HD13 LEU 26 HD13 LEU 26 20.819 32.100 -2.247 217 HD21 LEU 26 HD21 LEU 26 20.981 30.022 0.820 218 HD22 LEU 26 HD22 LEU 26 20.548 30.036 -0.901 219 HD23 LEU 26 HD23 LEU 26 22.260 30.089 -0.420 220 H GLY 27 H GLY 27 21.445 33.259 4.574 221 HA2 GLY 27 HA2 GLY 27 23.717 34.994 4.658 222 HA3 GLY 27 HA3 GLY 27 22.529 34.719 5.947 223 H ASN 28 H ASN 28 23.498 31.659 5.489 224 HA ASN 28 HA ASN 28 26.134 31.784 6.771 225 HB2 ASN 28 HB2 ASN 28 24.602 32.183 8.669 226 HB3 ASN 28 HB3 ASN 28 23.689 30.731 8.252 227 HD21 ASN 28 HD21 ASN 28 24.262 30.258 10.587 228 HD22 ASN 28 HD22 ASN 28 25.785 29.447 10.889 229 H ARG 29 H ARG 29 26.649 30.638 4.805 230 HA ARG 29 HA ARG 29 27.021 28.796 3.536 231 HB2 ARG 29 HB2 ARG 29 26.715 27.408 6.212 232 HB3 ARG 29 HB3 ARG 29 27.500 26.725 4.776 233 HG2 ARG 29 HG2 ARG 29 29.192 28.499 4.803 234 HG3 ARG 29 HG3 ARG 29 28.388 29.290 6.171 235 HD2 ARG 29 HD2 ARG 29 29.555 26.492 6.224 236 HD3 ARG 29 HD3 ARG 29 30.338 27.941 6.879 237 HE ARG 29 HE ARG 29 28.256 28.139 8.359 238 HH11 ARG 29 HH11 ARG 29 29.504 25.025 7.233 239 HH12 ARG 29 HH12 ARG 29 28.838 24.138 8.586 240 HH21 ARG 29 HH21 ARG 29 27.413 26.962 10.113 241 HH22 ARG 29 HH22 ARG 29 27.662 25.234 10.210 242 H ALA 30 H ALA 30 24.193 29.636 3.851 243 HA ALA 30 HA ALA 30 22.089 28.978 3.420 244 HB1 ALA 30 HB1 ALA 30 23.438 26.800 1.789 245 HB2 ALA 30 HB2 ALA 30 21.770 27.392 1.609 246 HB3 ALA 30 HB3 ALA 30 23.137 28.473 1.260 247 H ALA 31 H ALA 31 23.466 27.720 5.827 248 HA ALA 31 HA ALA 31 22.518 25.063 6.156 249 HB1 ALA 31 HB1 ALA 31 23.067 27.249 8.207 250 HB2 ALA 31 HB2 ALA 31 22.937 25.513 8.555 251 HB3 ALA 31 HB3 ALA 31 24.271 26.112 7.553 252 H VAL 32 H VAL 32 20.900 28.179 6.332 253 HA VAL 32 HA VAL 32 18.620 27.274 7.876 254 HB VAL 32 HB VAL 32 18.995 29.612 5.962 255 HG11 VAL 32 HG11 VAL 32 16.844 29.075 8.046 256 HG12 VAL 32 HG12 VAL 32 17.032 30.580 7.112 257 HG13 VAL 32 HG13 VAL 32 16.604 29.071 6.284 258 HG21 VAL 32 HG21 VAL 32 20.525 29.687 7.906 259 HG22 VAL 32 HG22 VAL 32 19.263 30.934 8.036 260 HG23 VAL 32 HG23 VAL 32 19.146 29.449 9.004 261 H LYS 33 H LYS 33 19.467 27.488 4.397 262 HA LYS 33 HA LYS 33 16.858 26.753 3.432 263 HB2 LYS 33 HB2 LYS 33 18.652 27.927 2.124 264 HB3 LYS 33 HB3 LYS 33 19.603 26.433 2.152 265 HG2 LYS 33 HG2 LYS 33 17.769 25.249 0.943 266 HG3 LYS 33 HG3 LYS 33 16.818 26.749 0.947 267 HD2 LYS 33 HD2 LYS 33 17.885 26.585 -1.206 268 HD3 LYS 33 HD3 LYS 33 18.689 27.878 -0.296 269 HE2 LYS 33 HE2 LYS 33 20.389 26.559 -1.395 270 HE3 LYS 33 HE3 LYS 33 20.480 26.219 0.338 271 HZ1 LYS 33 HZ1 LYS 33 20.587 24.204 -0.942 272 HZ2 LYS 33 HZ2 LYS 33 19.179 24.204 -0.091 273 HZ3 LYS 33 HZ3 LYS 33 19.160 24.536 -1.688 274 H LYS 34 H LYS 34 19.832 24.990 4.268 275 HA LYS 34 HA LYS 34 19.006 22.434 3.282 276 HB2 LYS 34 HB2 LYS 34 21.083 23.293 5.331 277 HB3 LYS 34 HB3 LYS 34 20.925 21.637 4.712 278 HG2 LYS 34 HG2 LYS 34 21.440 22.322 2.467 279 HG3 LYS 34 HG3 LYS 34 21.267 24.038 2.866 280 HD2 LYS 34 HD2 LYS 34 23.214 23.881 4.394 281 HD3 LYS 34 HD3 LYS 34 23.426 22.178 3.945 282 HE2 LYS 34 HE2 LYS 34 23.806 22.816 1.603 283 HE3 LYS 34 HE3 LYS 34 23.430 24.509 1.974 284 HZ1 LYS 34 HZ1 LYS 34 25.355 24.603 3.358 285 HZ2 LYS 34 HZ2 LYS 34 25.697 23.011 3.103 286 HZ3 LYS 34 HZ3 LYS 34 25.794 24.089 1.864 287 H HIS 35 H HIS 35 18.165 24.164 6.228 288 HA HIS 35 HA HIS 35 17.425 21.748 7.678 289 HB2 HIS 35 HB2 HIS 35 18.071 23.889 8.787 290 HB3 HIS 35 HB3 HIS 35 16.618 24.647 8.128 291 HD1 HIS 35 HD1 HIS 35 17.518 21.682 10.475 292 HD2 HIS 35 HD2 HIS 35 14.445 24.429 9.603 293 HE1 HIS 35 HE1 HIS 35 15.702 21.343 12.267 294 HE2 HIS 35 HE2 HIS 35 13.846 23.031 11.726 295 H ILE 36 H ILE 36 15.775 24.126 5.561 296 HA ILE 36 HA ILE 36 13.128 23.118 6.118 297 HB ILE 36 HB ILE 36 14.242 24.769 3.818 298 HG12 ILE 36 HG12 ILE 36 12.706 25.557 6.332 299 HG13 ILE 36 HG13 ILE 36 14.450 25.773 6.089 300 HG21 ILE 36 HG21 ILE 36 11.889 25.380 3.355 301 HG22 ILE 36 HG22 ILE 36 12.134 23.644 3.164 302 HG23 ILE 36 HG23 ILE 36 11.346 24.263 4.633 303 HD11 ILE 36 HD11 ILE 36 13.371 27.878 5.658 304 HD12 ILE 36 HD12 ILE 36 13.954 27.238 4.111 305 HD13 ILE 36 HD13 ILE 36 12.225 27.129 4.527 306 H GLU 37 H GLU 37 15.731 22.216 3.898 307 HA GLU 37 HA GLU 37 14.143 20.545 2.182 308 HB2 GLU 37 HB2 GLU 37 17.092 20.575 2.893 309 HB3 GLU 37 HB3 GLU 37 16.392 19.560 1.616 310 HG2 GLU 37 HG2 GLU 37 15.548 21.574 0.461 311 HG3 GLU 37 HG3 GLU 37 16.193 22.604 1.737 312 H ARG 38 H ARG 38 15.631 20.079 5.364 313 HA ARG 38 HA ARG 38 15.114 17.180 5.302 314 HB2 ARG 38 HB2 ARG 38 16.251 19.046 7.427 315 HB3 ARG 38 HB3 ARG 38 16.074 17.291 7.618 316 HG2 ARG 38 HG2 ARG 38 17.550 16.895 5.696 317 HG3 ARG 38 HG3 ARG 38 17.711 18.647 5.434 318 HD2 ARG 38 HD2 ARG 38 18.715 18.893 7.673 319 HD3 ARG 38 HD3 ARG 38 18.541 17.155 7.955 320 HE ARG 38 HE ARG 38 20.464 18.498 6.143 321 HH11 ARG 38 HH11 ARG 38 19.163 15.476 7.435 322 HH12 ARG 38 HH12 ARG 38 20.527 14.525 6.891 323 HH21 ARG 38 HH21 ARG 38 22.221 17.229 5.430 324 HH22 ARG 38 HH22 ARG 38 22.244 15.512 5.759 325 H GLN 39 H GLN 39 13.430 20.064 6.122 326 HA GLN 39 HA GLN 39 11.738 18.885 8.179 327 HB2 GLN 39 HB2 GLN 39 12.247 21.255 8.220 328 HB3 GLN 39 HB3 GLN 39 11.671 21.451 6.557 329 HG2 GLN 39 HG2 GLN 39 10.010 22.289 8.163 330 HG3 GLN 39 HG3 GLN 39 9.380 20.939 7.220 331 HE21 GLN 39 HE21 GLN 39 7.780 20.507 8.790 332 HE22 GLN 39 HE22 GLN 39 8.167 19.759 10.329 333 H PHE 40 H PHE 40 11.690 19.235 4.668 334 HA PHE 40 HA PHE 40 9.060 17.872 4.636 335 HB2 PHE 40 HB2 PHE 40 9.869 20.258 2.962 336 HB3 PHE 40 HB3 PHE 40 8.437 19.270 2.675 337 HD1 PHE 40 HD1 PHE 40 9.425 22.268 3.994 338 HD2 PHE 40 HD2 PHE 40 7.049 18.847 5.066 339 HE1 PHE 40 HE1 PHE 40 8.138 23.663 5.589 340 HE2 PHE 40 HE2 PHE 40 5.770 20.243 6.672 341 HZ PHE 40 HZ PHE 40 6.321 22.647 6.939 342 H ASN 41 H ASN 41 12.091 17.249 4.035 343 HA ASN 41 HA ASN 41 13.282 15.959 2.647 344 HB2 ASN 41 HB2 ASN 41 10.579 14.749 2.011 345 HB3 ASN 41 HB3 ASN 41 12.140 14.011 1.630 346 HD21 ASN 41 HD21 ASN 41 10.206 12.732 3.241 347 HD22 ASN 41 HD22 ASN 41 10.842 12.606 4.868 348 H CYS 42 H CYS 42 11.911 18.498 1.544 349 HA CYS 42 HA CYS 42 11.902 17.977 -1.353 350 HB2 CYS 42 HB2 CYS 42 11.182 20.330 -1.458 351 HB3 CYS 42 HB3 CYS 42 10.220 19.447 -0.254 352 HG CYS 42 HG CYS 42 12.820 21.444 0.127 353 H VAL 43 H VAL 43 13.024 19.992 -2.540 354 HA VAL 43 HA VAL 43 15.715 20.514 -1.381 355 HB VAL 43 HB VAL 43 15.089 19.709 -4.249 356 HG11 VAL 43 HG11 VAL 43 17.547 19.864 -4.571 357 HG12 VAL 43 HG12 VAL 43 16.828 21.440 -4.196 358 HG13 VAL 43 HG13 VAL 43 17.709 20.541 -2.935 359 HG21 VAL 43 HG21 VAL 43 15.174 17.794 -2.686 360 HG22 VAL 43 HG22 VAL 43 16.587 17.800 -3.759 361 HG23 VAL 43 HG23 VAL 43 16.742 18.361 -2.072 362 H ILE 44 H ILE 44 16.541 22.605 -1.897 363 HA ILE 44 HA ILE 44 14.669 24.394 -3.362 364 HB ILE 44 HB ILE 44 15.976 24.950 -0.676 365 HG12 ILE 44 HG12 ILE 44 13.052 24.616 -1.464 366 HG13 ILE 44 HG13 ILE 44 14.013 23.466 -0.523 367 HG21 ILE 44 HG21 ILE 44 14.151 26.722 -2.368 368 HG22 ILE 44 HG22 ILE 44 14.843 27.139 -0.783 369 HG23 ILE 44 HG23 ILE 44 15.899 26.962 -2.181 370 HD11 ILE 44 HD11 ILE 44 13.246 26.290 0.328 371 HD12 ILE 44 HD12 ILE 44 12.644 24.764 0.994 372 HD13 ILE 44 HD13 ILE 44 14.345 25.217 1.233 373 H THR 45 H THR 45 15.606 25.973 -4.590 374 HA THR 45 HA THR 45 18.535 26.186 -4.512 375 HB THR 45 HB THR 45 17.200 25.817 -7.169 376 HG1 THR 45 HG1 THR 45 17.829 23.656 -7.035 377 HG21 THR 45 HG21 THR 45 20.041 25.463 -6.141 378 HG22 THR 45 HG22 THR 45 19.501 25.172 -7.813 379 HG23 THR 45 HG23 THR 45 19.437 26.813 -7.136 380 H VAL 46 H VAL 46 18.822 28.246 -3.953 381 HA VAL 46 HA VAL 46 17.233 30.359 -5.136 382 HB VAL 46 HB VAL 46 19.813 30.652 -3.578 383 HG11 VAL 46 HG11 VAL 46 19.062 32.702 -4.731 384 HG12 VAL 46 HG12 VAL 46 17.420 32.484 -4.078 385 HG13 VAL 46 HG13 VAL 46 18.770 32.842 -2.987 386 HG21 VAL 46 HG21 VAL 46 18.252 29.295 -2.264 387 HG22 VAL 46 HG22 VAL 46 18.364 30.940 -1.603 388 HG23 VAL 46 HG23 VAL 46 16.950 30.472 -2.564 389 H HIS 47 H HIS 47 17.893 31.941 -6.638 390 HA HIS 47 HA HIS 47 20.252 31.180 -8.285 391 HB2 HIS 47 HB2 HIS 47 17.423 31.804 -9.141 392 HB3 HIS 47 HB3 HIS 47 18.801 31.908 -10.248 393 HD1 HIS 47 HD1 HIS 47 20.212 29.498 -10.567 394 HD2 HIS 47 HD2 HIS 47 16.355 29.411 -8.872 395 HE1 HIS 47 HE1 HIS 47 19.395 27.070 -10.739 396 HE2 HIS 47 HE2 HIS 47 17.030 27.034 -9.734 397 H THR 48 H THR 48 21.024 32.909 -6.611 398 HA THR 48 HA THR 48 20.348 35.612 -7.097 399 HB THR 48 HB THR 48 21.988 36.236 -5.654 400 HG1 THR 48 HG1 THR 48 23.895 35.070 -5.371 401 HG21 THR 48 HG21 THR 48 20.472 34.583 -4.557 402 HG22 THR 48 HG22 THR 48 21.633 33.289 -4.937 403 HG23 THR 48 HG23 THR 48 22.091 34.605 -3.835 404 H GLU 49 H GLU 49 21.956 33.513 -9.165 405 HA GLU 49 HA GLU 49 23.609 35.386 -10.576 406 HB2 GLU 49 HB2 GLU 49 23.544 33.640 -12.340 407 HB3 GLU 49 HB3 GLU 49 23.863 32.963 -10.736 408 HG2 GLU 49 HG2 GLU 49 21.336 32.498 -10.576 409 HG3 GLU 49 HG3 GLU 49 21.253 32.901 -12.295 410 H VAL 50 H VAL 50 20.234 35.169 -10.173 411 HA VAL 50 HA VAL 50 19.715 36.709 -12.654 412 HB VAL 50 HB VAL 50 17.701 35.322 -10.870 413 HG11 VAL 50 HG11 VAL 50 17.505 36.476 -13.678 414 HG12 VAL 50 HG12 VAL 50 16.229 35.560 -12.853 415 HG13 VAL 50 HG13 VAL 50 16.740 37.129 -12.204 416 HG21 VAL 50 HG21 VAL 50 19.151 33.613 -11.831 417 HG22 VAL 50 HG22 VAL 50 17.577 33.593 -12.638 418 HG23 VAL 50 HG23 VAL 50 18.974 34.334 -13.453 419 H GLN 51 H GLN 51 18.572 38.652 -12.553 420 HA GLN 51 HA GLN 51 17.881 39.738 -9.890 421 HB2 GLN 51 HB2 GLN 51 19.700 41.153 -11.882 422 HB3 GLN 51 HB3 GLN 51 19.010 41.863 -10.407 423 HG2 GLN 51 HG2 GLN 51 20.207 40.171 -9.042 424 HG3 GLN 51 HG3 GLN 51 20.926 39.493 -10.509 425 HE21 GLN 51 HE21 GLN 51 22.797 40.126 -8.844 426 HE22 GLN 51 HE22 GLN 51 23.551 41.668 -9.199 427 H SER 52 H SER 52 15.867 40.490 -10.013 428 HA SER 52 HA SER 52 14.532 40.812 -12.566 429 HB2 SER 52 HB2 SER 52 12.593 41.274 -11.212 430 HB3 SER 52 HB3 SER 52 13.474 39.922 -10.468 431 HG SER 52 HG SER 52 12.816 41.608 -8.997 432 H SER 53 H SER 53 13.148 42.806 -12.916 433 HA SER 53 HA SER 53 14.782 45.208 -12.853 434 HB2 SER 53 HB2 SER 53 12.886 46.195 -14.072 435 HB3 SER 53 HB3 SER 53 13.341 44.631 -14.781 436 HG SER 53 HG SER 53 11.074 44.850 -14.471 437 H PHE 54 H PHE 54 13.267 43.731 -10.410 438 HA PHE 54 HA PHE 54 12.428 46.257 -9.187 439 HB2 PHE 54 HB2 PHE 54 10.614 44.921 -7.966 440 HB3 PHE 54 HB3 PHE 54 10.374 45.545 -9.595 441 HD1 PHE 54 HD1 PHE 54 11.199 42.452 -7.693 442 HD2 PHE 54 HD2 PHE 54 9.902 44.123 -11.433 443 HE1 PHE 54 HE1 PHE 54 10.590 40.185 -8.494 444 HE2 PHE 54 HE2 PHE 54 9.308 41.853 -12.239 445 HZ PHE 54 HZ PHE 54 9.653 39.882 -10.773 446 H GLY 55 H GLY 55 14.851 44.329 -8.905 447 HA2 GLY 55 HA2 GLY 55 16.409 44.281 -7.206 448 HA3 GLY 55 HA3 GLY 55 15.285 45.158 -6.150 449 H ALA 56 H ALA 56 14.839 42.018 -7.850 450 HA ALA 56 HA ALA 56 14.824 40.652 -5.209 451 HB1 ALA 56 HB1 ALA 56 12.506 41.180 -5.829 452 HB2 ALA 56 HB2 ALA 56 12.722 40.341 -7.386 453 HB3 ALA 56 HB3 ALA 56 12.808 39.426 -5.864 454 H THR 57 H THR 57 14.804 38.256 -5.461 455 HA THR 57 HA THR 57 16.437 37.289 -7.777 456 HB THR 57 HB THR 57 16.929 37.172 -4.783 457 HG1 THR 57 HG1 THR 57 18.021 38.718 -6.012 458 HG21 THR 57 HG21 THR 57 16.984 34.840 -5.482 459 HG22 THR 57 HG22 THR 57 18.021 35.254 -6.877 460 HG23 THR 57 HG23 THR 57 18.634 35.417 -5.213 461 HA PRO 58 HA PRO 58 13.153 34.247 -7.279 462 HB2 PRO 58 HB2 PRO 58 13.722 32.638 -9.369 463 HB3 PRO 58 HB3 PRO 58 13.183 34.330 -9.623 464 HG2 PRO 58 HG2 PRO 58 16.022 33.259 -9.635 465 HG3 PRO 58 HG3 PRO 58 15.241 34.338 -10.832 466 HD2 PRO 58 HD2 PRO 58 16.820 35.238 -8.734 467 HD3 PRO 58 HD3 PRO 58 15.488 36.203 -9.429 468 H VAL 59 H VAL 59 12.887 31.987 -6.784 469 HA VAL 59 HA VAL 59 15.290 30.366 -6.257 470 HB VAL 59 HB VAL 59 15.092 31.476 -4.135 471 HG11 VAL 59 HG11 VAL 59 12.125 30.772 -4.189 472 HG12 VAL 59 HG12 VAL 59 12.998 31.476 -2.808 473 HG13 VAL 59 HG13 VAL 59 12.831 32.404 -4.307 474 HG21 VAL 59 HG21 VAL 59 15.419 29.008 -4.060 475 HG22 VAL 59 HG22 VAL 59 14.591 29.648 -2.628 476 HG23 VAL 59 HG23 VAL 59 13.658 28.803 -3.882 477 H GLU 60 H GLU 60 14.874 28.210 -6.416 478 HA GLU 60 HA GLU 60 12.140 27.435 -7.304 479 HB2 GLU 60 HB2 GLU 60 14.918 26.446 -7.946 480 HB3 GLU 60 HB3 GLU 60 13.494 25.425 -8.227 481 HG2 GLU 60 HG2 GLU 60 12.519 26.975 -9.748 482 HG3 GLU 60 HG3 GLU 60 13.681 28.245 -9.322 483 H ILE 61 H ILE 61 11.337 25.360 -6.714 484 HA ILE 61 HA ILE 61 12.598 24.066 -4.364 485 HB ILE 61 HB ILE 61 9.642 24.681 -4.631 486 HG12 ILE 61 HG12 ILE 61 11.725 25.965 -2.823 487 HG13 ILE 61 HG13 ILE 61 10.913 26.740 -4.201 488 HG21 ILE 61 HG21 ILE 61 9.477 23.801 -2.348 489 HG22 ILE 61 HG22 ILE 61 10.168 22.580 -3.425 490 HG23 ILE 61 HG23 ILE 61 11.226 23.484 -2.321 491 HD11 ILE 61 HD11 ILE 61 9.841 27.468 -2.180 492 HD12 ILE 61 HD12 ILE 61 8.724 26.417 -3.073 493 HD13 ILE 61 HD13 ILE 61 9.582 25.801 -1.634 494 H VAL 62 H VAL 62 12.232 21.807 -4.303 495 HA VAL 62 HA VAL 62 10.752 20.620 -6.564 496 HB VAL 62 HB VAL 62 13.598 19.826 -5.933 497 HG11 VAL 62 HG11 VAL 62 11.711 19.135 -8.223 498 HG12 VAL 62 HG12 VAL 62 13.403 18.619 -8.086 499 HG13 VAL 62 HG13 VAL 62 12.212 18.038 -6.912 500 HG21 VAL 62 HG21 VAL 62 13.655 22.067 -6.901 501 HG22 VAL 62 HG22 VAL 62 14.173 20.881 -8.114 502 HG23 VAL 62 HG23 VAL 62 12.532 21.558 -8.191 503 H ALA 63 H ALA 63 9.816 18.666 -6.160 504 HA ALA 63 HA ALA 63 10.628 17.009 -3.912 505 HB1 ALA 63 HB1 ALA 63 8.498 17.183 -2.696 506 HB2 ALA 63 HB2 ALA 63 9.295 18.772 -2.765 507 HB3 ALA 63 HB3 ALA 63 7.927 18.410 -3.846 508 H GLN 64 H GLN 64 9.116 15.085 -3.715 509 HA GLN 64 HA GLN 64 8.636 13.987 -6.337 510 HB2 GLN 64 HB2 GLN 64 9.472 12.643 -4.504 511 HB3 GLN 64 HB3 GLN 64 8.047 12.995 -3.517 512 HG2 GLN 64 HG2 GLN 64 6.603 11.759 -5.017 513 HG3 GLN 64 HG3 GLN 64 7.897 11.598 -6.213 514 HE21 GLN 64 HE21 GLN 64 6.791 9.282 -5.659 515 HE22 GLN 64 HE22 GLN 64 7.760 8.324 -4.557 516 H ASN 65 H ASN 65 6.697 15.878 -4.155 517 HA ASN 65 HA ASN 65 4.385 15.614 -5.918 518 HB2 ASN 65 HB2 ASN 65 2.863 14.984 -4.002 519 HB3 ASN 65 HB3 ASN 65 3.980 13.714 -4.508 520 HD21 ASN 65 HD21 ASN 65 4.436 12.553 -2.688 521 HD22 ASN 65 HD22 ASN 65 5.006 13.263 -1.188 522 H LYS 66 H LYS 66 2.621 17.137 -5.292 523 HA LYS 66 HA LYS 66 3.723 19.688 -4.483 524 HB2 LYS 66 HB2 LYS 66 0.870 18.772 -5.010 525 HB3 LYS 66 HB3 LYS 66 1.368 20.457 -4.749 526 HG2 LYS 66 HG2 LYS 66 2.868 20.335 -6.702 527 HG3 LYS 66 HG3 LYS 66 2.359 18.652 -6.994 528 HD2 LYS 66 HD2 LYS 66 0.023 19.406 -7.287 529 HD3 LYS 66 HD3 LYS 66 0.526 21.086 -6.997 530 HE2 LYS 66 HE2 LYS 66 2.032 20.979 -8.963 531 HE3 LYS 66 HE3 LYS 66 1.544 19.303 -9.249 532 HZ1 LYS 66 HZ1 LYS 66 0.324 20.821 -10.634 533 HZ2 LYS 66 HZ2 LYS 66 -0.704 20.086 -9.587 534 HZ3 LYS 66 HZ3 LYS 66 -0.245 21.643 -9.324 535 H GLU 67 H GLU 67 2.389 17.017 -2.757 536 HA GLU 67 HA GLU 67 1.205 18.464 -0.570 537 HB2 GLU 67 HB2 GLU 67 2.246 15.605 -0.744 538 HB3 GLU 67 HB3 GLU 67 1.216 16.257 0.542 539 HG2 GLU 67 HG2 GLU 67 -0.502 16.839 -1.191 540 HG3 GLU 67 HG3 GLU 67 0.502 16.039 -2.411 541 H GLN 68 H GLN 68 4.433 18.173 -1.515 542 HA GLN 68 HA GLN 68 5.327 18.881 1.244 543 HB2 GLN 68 HB2 GLN 68 6.762 17.121 -0.777 544 HB3 GLN 68 HB3 GLN 68 7.456 17.697 0.745 545 HG2 GLN 68 HG2 GLN 68 5.868 16.445 2.046 546 HG3 GLN 68 HG3 GLN 68 4.888 16.057 0.619 547 HE21 GLN 68 HE21 GLN 68 8.476 15.905 1.053 548 HE22 GLN 68 HE22 GLN 68 8.593 14.198 0.684 549 H CYS 69 H CYS 69 5.409 19.501 -2.237 550 HA CYS 69 HA CYS 69 7.707 21.267 -2.142 551 HB2 CYS 69 HB2 CYS 69 6.706 20.022 -4.154 552 HB3 CYS 69 HB3 CYS 69 5.428 21.259 -4.161 553 HG CYS 69 HG CYS 69 6.924 23.298 -4.422 554 H GLN 70 H GLN 70 4.147 21.605 -1.841 555 HA GLN 70 HA GLN 70 4.162 24.489 -1.825 556 HB2 GLN 70 HB2 GLN 70 2.154 22.442 -0.811 557 HB3 GLN 70 HB3 GLN 70 1.838 24.179 -0.907 558 HG2 GLN 70 HG2 GLN 70 2.617 22.472 -3.316 559 HG3 GLN 70 HG3 GLN 70 0.952 22.793 -2.843 560 HE21 GLN 70 HE21 GLN 70 1.490 23.544 -5.309 561 HE22 GLN 70 HE22 GLN 70 1.717 25.276 -5.451 562 H GLU 71 H GLU 71 4.634 21.995 0.653 563 HA GLU 71 HA GLU 71 4.078 23.747 2.880 564 HB2 GLU 71 HB2 GLU 71 5.748 21.205 2.724 565 HB3 GLU 71 HB3 GLU 71 5.111 21.946 4.208 566 HG2 GLU 71 HG2 GLU 71 3.429 20.820 1.923 567 HG3 GLU 71 HG3 GLU 71 3.756 20.009 3.449 568 H ALA 72 H ALA 72 6.943 22.979 0.929 569 HA ALA 72 HA ALA 72 8.768 24.426 2.687 570 HB1 ALA 72 HB1 ALA 72 9.048 23.413 -0.173 571 HB2 ALA 72 HB2 ALA 72 10.374 24.006 0.852 572 HB3 ALA 72 HB3 ALA 72 9.494 22.524 1.302 573 H ARG 73 H ARG 73 6.687 25.160 -0.067 574 HA ARG 73 HA ARG 73 7.922 27.667 -0.764 575 HB2 ARG 73 HB2 ARG 73 6.546 26.621 -2.409 576 HB3 ARG 73 HB3 ARG 73 5.228 26.371 -1.261 577 HG2 ARG 73 HG2 ARG 73 4.687 28.167 -2.836 578 HG3 ARG 73 HG3 ARG 73 4.746 28.755 -1.175 579 HD2 ARG 73 HD2 ARG 73 7.083 29.584 -1.583 580 HD3 ARG 73 HD3 ARG 73 6.919 29.093 -3.277 581 HE ARG 73 HE ARG 73 5.764 31.441 -1.988 582 HH11 ARG 73 HH11 ARG 73 5.391 29.136 -4.587 583 HH12 ARG 73 HH12 ARG 73 4.461 30.217 -5.613 584 HH21 ARG 73 HH21 ARG 73 4.538 32.871 -3.296 585 HH22 ARG 73 HH22 ARG 73 3.992 32.348 -4.869 586 H ASN 74 H ASN 74 5.018 26.820 1.165 587 HA ASN 74 HA ASN 74 4.473 29.539 1.905 588 HB2 ASN 74 HB2 ASN 74 3.520 26.836 2.889 589 HB3 ASN 74 HB3 ASN 74 2.966 28.359 3.609 590 HD21 ASN 74 HD21 ASN 74 2.588 26.161 0.977 591 HD22 ASN 74 HD22 ASN 74 1.403 27.099 0.087 592 H ALA 75 H ALA 75 6.876 27.327 3.057 593 HA ALA 75 HA ALA 75 6.974 28.411 5.754 594 HB1 ALA 75 HB1 ALA 75 9.046 27.064 5.879 595 HB2 ALA 75 HB2 ALA 75 7.688 26.113 5.235 596 HB3 ALA 75 HB3 ALA 75 8.938 26.741 4.131 597 H VAL 76 H VAL 76 8.640 28.995 2.635 598 HA VAL 76 HA VAL 76 10.579 30.791 3.878 599 HB VAL 76 HB VAL 76 10.039 30.100 0.964 600 HG11 VAL 76 HG11 VAL 76 11.310 32.182 1.065 601 HG12 VAL 76 HG12 VAL 76 12.403 31.493 2.291 602 HG13 VAL 76 HG13 VAL 76 12.403 30.863 0.627 603 HG21 VAL 76 HG21 VAL 76 12.113 29.050 2.928 604 HG22 VAL 76 HG22 VAL 76 10.702 28.145 2.343 605 HG23 VAL 76 HG23 VAL 76 11.984 28.605 1.209 606 H MET 77 H MET 77 7.355 31.112 3.088 607 HA MET 77 HA MET 77 7.657 33.901 2.128 608 HB2 MET 77 HB2 MET 77 5.293 32.005 2.167 609 HB3 MET 77 HB3 MET 77 5.229 33.683 1.580 610 HG2 MET 77 HG2 MET 77 7.191 31.603 0.539 611 HG3 MET 77 HG3 MET 77 5.630 31.912 -0.212 612 HE1 MET 77 HE1 MET 77 8.960 33.436 -2.181 613 HE2 MET 77 HE2 MET 77 9.050 32.236 -0.876 614 HE3 MET 77 HE3 MET 77 7.863 32.030 -2.181 615 H SER 78 H SER 78 7.388 32.345 5.081 616 HA SER 78 HA SER 78 6.419 34.840 6.316 617 HB2 SER 78 HB2 SER 78 5.042 32.152 6.644 618 HB3 SER 78 HB3 SER 78 4.860 33.494 7.796 619 HG SER 78 HG SER 78 4.263 33.585 5.027 620 H LEU 79 H LEU 79 8.122 31.737 6.585 621 HA LEU 79 HA LEU 79 8.930 32.503 9.362 622 HB2 LEU 79 HB2 LEU 79 8.910 29.761 8.059 623 HB3 LEU 79 HB3 LEU 79 9.276 30.123 9.750 624 HG LEU 79 HG LEU 79 6.585 30.528 8.352 625 HD11 LEU 79 HD11 LEU 79 7.512 28.539 10.464 626 HD12 LEU 79 HD12 LEU 79 5.855 28.692 9.827 627 HD13 LEU 79 HD13 LEU 79 7.175 28.171 8.757 628 HD21 LEU 79 HD21 LEU 79 6.943 32.211 10.111 629 HD22 LEU 79 HD22 LEU 79 5.750 31.008 10.639 630 HD23 LEU 79 HD23 LEU 79 7.416 30.928 11.257 631 H MET 80 H MET 80 10.085 31.142 6.269 632 HA MET 80 HA MET 80 12.132 30.872 5.371 633 HB2 MET 80 HB2 MET 80 12.877 33.374 6.922 634 HB3 MET 80 HB3 MET 80 13.604 32.768 5.419 635 HG2 MET 80 HG2 MET 80 11.319 32.963 4.359 636 HG3 MET 80 HG3 MET 80 10.784 33.812 5.822 637 HE1 MET 80 HE1 MET 80 13.990 33.836 3.513 638 HE2 MET 80 HE2 MET 80 12.577 33.980 2.431 639 HE3 MET 80 HE3 MET 80 13.714 35.337 2.607 640 H GLN 81 H GLN 81 11.685 29.924 8.363 641 HA GLN 81 HA GLN 81 12.836 29.063 10.074 642 HB2 GLN 81 HB2 GLN 81 13.346 27.435 8.364 643 HB3 GLN 81 HB3 GLN 81 14.731 28.368 7.810 644 HG2 GLN 81 HG2 GLN 81 15.397 26.408 9.152 645 HG3 GLN 81 HG3 GLN 81 15.948 27.904 9.882 646 HE21 GLN 81 HE21 GLN 81 16.138 26.717 11.910 647 HE22 GLN 81 HE22 GLN 81 14.713 26.390 12.871 648 H SER 82 H SER 82 13.451 31.935 9.157 649 HA SER 82 HA SER 82 15.532 32.446 11.130 650 HB2 SER 82 HB2 SER 82 16.839 31.835 9.111 651 HB3 SER 82 HB3 SER 82 16.022 33.115 8.200 652 HG SER 82 HG SER 82 16.910 34.610 9.676 653 H HIS 83 H HIS 83 12.658 33.123 10.623 654 HA HIS 83 HA HIS 83 12.378 35.771 9.671 655 HB2 HIS 83 HB2 HIS 83 10.476 34.307 9.952 656 HB3 HIS 83 HB3 HIS 83 10.758 34.194 11.694 657 HD1 HIS 83 HD1 HIS 83 10.273 36.566 13.098 658 HD2 HIS 83 HD2 HIS 83 8.982 36.268 9.096 659 HE1 HIS 83 HE1 HIS 83 8.608 38.489 12.725 660 HE2 HIS 83 HE2 HIS 83 7.846 38.301 10.272 661 H GLN 84 H GLN 84 12.361 37.769 10.624 662 HA GLN 84 HA GLN 84 12.883 38.088 13.484 663 HB2 GLN 84 HB2 GLN 84 15.145 37.646 12.694 664 HB3 GLN 84 HB3 GLN 84 14.954 38.797 11.373 665 HG2 GLN 84 HG2 GLN 84 16.304 39.790 13.134 666 HG3 GLN 84 HG3 GLN 84 14.781 40.661 12.996 667 HE21 GLN 84 HE21 GLN 84 15.511 41.396 15.202 668 HE22 GLN 84 HE22 GLN 84 15.041 40.415 16.577 669 H ASP 85 H ASP 85 12.319 39.475 10.246 670 HA ASP 85 HA ASP 85 10.835 41.636 11.500 671 HB2 ASP 85 HB2 ASP 85 12.063 43.389 10.127 672 HB3 ASP 85 HB3 ASP 85 12.863 42.751 11.559 673 H LYS 86 H LYS 86 10.775 39.346 9.245 674 HA LYS 86 HA LYS 86 9.788 40.839 6.971 675 HB2 LYS 86 HB2 LYS 86 10.907 38.711 6.670 676 HB3 LYS 86 HB3 LYS 86 9.701 37.876 7.663 677 HG2 LYS 86 HG2 LYS 86 7.968 38.263 6.022 678 HG3 LYS 86 HG3 LYS 86 9.003 39.406 5.127 679 HD2 LYS 86 HD2 LYS 86 10.589 37.581 4.611 680 HD3 LYS 86 HD3 LYS 86 9.550 36.421 5.464 681 HE2 LYS 86 HE2 LYS 86 7.751 36.764 3.891 682 HE3 LYS 86 HE3 LYS 86 8.571 38.142 3.151 683 HZ1 LYS 86 HZ1 LYS 86 9.582 35.376 3.093 684 HZ2 LYS 86 HZ2 LYS 86 8.809 36.138 1.849 685 HZ3 LYS 86 HZ3 LYS 86 10.267 36.688 2.366 Start of MODEL 11 1 H1 SER 1 H SER 1 27.381 7.511 -16.805 2 HA SER 1 HA SER 1 25.966 7.973 -19.330 3 HB2 SER 1 HB2 SER 1 27.941 5.796 -18.536 4 HB3 SER 1 HB3 SER 1 26.993 5.836 -20.034 5 HG SER 1 HG SER 1 29.063 6.739 -20.312 6 H GLY 2 H GLY 2 24.529 6.164 -19.923 7 HA2 GLY 2 HA2 GLY 2 22.908 4.589 -19.473 8 HA3 GLY 2 HA3 GLY 2 23.609 4.334 -17.871 9 H SER 3 H SER 3 21.069 4.203 -17.724 10 HA SER 3 HA SER 3 20.211 6.619 -16.312 11 HB2 SER 3 HB2 SER 3 18.199 6.963 -17.599 12 HB3 SER 3 HB3 SER 3 19.577 7.042 -18.708 13 HG SER 3 HG SER 3 17.924 5.722 -19.540 14 H HIS 4 H HIS 4 17.904 6.203 -15.409 15 HA HIS 4 HA HIS 4 17.946 3.609 -14.103 16 HB2 HIS 4 HB2 HIS 4 16.040 5.976 -13.981 17 HB3 HIS 4 HB3 HIS 4 15.831 4.494 -13.044 18 HD1 HIS 4 HD1 HIS 4 18.908 6.873 -13.489 19 HD2 HIS 4 HD2 HIS 4 16.603 4.804 -10.632 20 HE1 HIS 4 HE1 HIS 4 19.956 7.380 -11.203 21 HE2 HIS 4 HE2 HIS 4 18.556 6.111 -9.475 22 H MET 5 H MET 5 16.933 4.440 -17.141 23 HA MET 5 HA MET 5 15.496 3.619 -18.659 24 HB2 MET 5 HB2 MET 5 15.681 1.115 -16.954 25 HB3 MET 5 HB3 MET 5 15.099 1.193 -18.627 26 HG2 MET 5 HG2 MET 5 17.266 2.105 -19.358 27 HG3 MET 5 HG3 MET 5 17.873 2.017 -17.699 28 HE1 MET 5 HE1 MET 5 16.766 -0.747 -16.620 29 HE2 MET 5 HE2 MET 5 18.142 -1.800 -17.025 30 HE3 MET 5 HE3 MET 5 18.437 -0.155 -16.417 31 H LYS 6 H LYS 6 14.318 4.920 -16.191 32 HA LYS 6 HA LYS 6 11.535 4.302 -16.823 33 HB2 LYS 6 HB2 LYS 6 12.065 2.608 -15.137 34 HB3 LYS 6 HB3 LYS 6 12.694 3.851 -14.041 35 HG2 LYS 6 HG2 LYS 6 10.475 4.891 -13.889 36 HG3 LYS 6 HG3 LYS 6 9.817 3.710 -15.043 37 HD2 LYS 6 HD2 LYS 6 11.021 3.053 -12.319 38 HD3 LYS 6 HD3 LYS 6 9.287 3.148 -12.675 39 HE2 LYS 6 HE2 LYS 6 9.534 1.338 -14.357 40 HE3 LYS 6 HE3 LYS 6 11.259 1.217 -13.966 41 HZ1 LYS 6 HZ1 LYS 6 9.970 -0.416 -12.775 42 HZ2 LYS 6 HZ2 LYS 6 10.643 0.640 -11.718 43 HZ3 LYS 6 HZ3 LYS 6 9.046 0.754 -12.077 44 H THR 7 H THR 7 10.098 5.957 -16.151 45 HA THR 7 HA THR 7 11.234 8.511 -16.129 46 HB THR 7 HB THR 7 8.424 8.191 -15.228 47 HG1 THR 7 HG1 THR 7 7.853 7.674 -17.343 48 HG21 THR 7 HG21 THR 7 9.825 9.901 -17.327 49 HG22 THR 7 HG22 THR 7 8.102 10.000 -16.890 50 HG23 THR 7 HG23 THR 7 9.339 10.434 -15.699 51 H CYS 8 H CYS 8 10.951 10.304 -14.670 52 HA CYS 8 HA CYS 8 10.774 9.639 -11.814 53 HB2 CYS 8 HB2 CYS 8 13.145 9.144 -12.504 54 HB3 CYS 8 HB3 CYS 8 13.300 10.836 -13.021 55 HG CYS 8 HG CYS 8 12.619 9.565 -10.049 56 H VAL 9 H VAL 9 8.861 11.009 -12.863 57 HA VAL 9 HA VAL 9 9.344 13.798 -13.268 58 HB VAL 9 HB VAL 9 6.725 12.505 -12.472 59 HG11 VAL 9 HG11 VAL 9 7.423 14.979 -14.114 60 HG12 VAL 9 HG12 VAL 9 5.783 14.340 -13.855 61 HG13 VAL 9 HG13 VAL 9 6.704 14.969 -12.484 62 HG21 VAL 9 HG21 VAL 9 8.010 12.720 -15.217 63 HG22 VAL 9 HG22 VAL 9 7.631 11.217 -14.338 64 HG23 VAL 9 HG23 VAL 9 6.317 12.255 -14.905 65 H VAL 10 H VAL 10 8.911 15.594 -11.955 66 HA VAL 10 HA VAL 10 8.413 15.138 -9.088 67 HB VAL 10 HB VAL 10 10.317 16.485 -8.413 68 HG11 VAL 10 HG11 VAL 10 12.131 14.947 -8.874 69 HG12 VAL 10 HG12 VAL 10 10.631 14.027 -8.614 70 HG13 VAL 10 HG13 VAL 10 11.262 14.263 -10.265 71 HG21 VAL 10 HG21 VAL 10 10.550 17.913 -10.397 72 HG22 VAL 10 HG22 VAL 10 12.087 17.113 -10.025 73 HG23 VAL 10 HG23 VAL 10 11.087 16.510 -11.359 74 H GLU 11 H GLU 11 7.889 17.117 -7.941 75 HA GLU 11 HA GLU 11 6.314 18.926 -9.588 76 HB2 GLU 11 HB2 GLU 11 5.554 18.048 -7.389 77 HB3 GLU 11 HB3 GLU 11 6.916 18.853 -6.605 78 HG2 GLU 11 HG2 GLU 11 4.873 20.153 -6.319 79 HG3 GLU 11 HG3 GLU 11 6.047 21.062 -7.268 80 H LYS 12 H LYS 12 6.572 21.257 -9.625 81 HA LYS 12 HA LYS 12 9.148 22.294 -8.641 82 HB2 LYS 12 HB2 LYS 12 8.335 22.155 -11.528 83 HB3 LYS 12 HB3 LYS 12 9.197 23.594 -10.936 84 HG2 LYS 12 HG2 LYS 12 10.975 22.184 -9.993 85 HG3 LYS 12 HG3 LYS 12 10.180 20.730 -10.650 86 HD2 LYS 12 HD2 LYS 12 10.475 21.560 -12.925 87 HD3 LYS 12 HD3 LYS 12 11.126 23.105 -12.317 88 HE2 LYS 12 HE2 LYS 12 13.013 21.924 -11.277 89 HE3 LYS 12 HE3 LYS 12 12.364 20.365 -11.827 90 HZ1 LYS 12 HZ1 LYS 12 12.654 21.113 -14.091 91 HZ2 LYS 12 HZ2 LYS 12 13.256 22.555 -13.579 92 HZ3 LYS 12 HZ3 LYS 12 14.083 21.170 -13.281 93 H ILE 13 H ILE 13 9.230 24.391 -8.141 94 HA ILE 13 HA ILE 13 6.897 26.145 -8.598 95 HB ILE 13 HB ILE 13 8.062 25.411 -5.883 96 HG12 ILE 13 HG12 ILE 13 5.235 25.298 -7.010 97 HG13 ILE 13 HG13 ILE 13 6.291 23.917 -6.668 98 HG21 ILE 13 HG21 ILE 13 6.655 27.169 -4.912 99 HG22 ILE 13 HG22 ILE 13 7.838 27.864 -6.001 100 HG23 ILE 13 HG23 ILE 13 6.152 27.683 -6.546 101 HD11 ILE 13 HD11 ILE 13 5.051 25.816 -4.647 102 HD12 ILE 13 HD12 ILE 13 4.772 24.073 -4.835 103 HD13 ILE 13 HD13 ILE 13 6.338 24.654 -4.238 104 H LYS 14 H LYS 14 7.457 28.362 -8.559 105 HA LYS 14 HA LYS 14 10.240 29.077 -7.926 106 HB2 LYS 14 HB2 LYS 14 10.368 28.535 -10.284 107 HB3 LYS 14 HB3 LYS 14 8.942 29.539 -10.634 108 HG2 LYS 14 HG2 LYS 14 10.154 31.566 -9.971 109 HG3 LYS 14 HG3 LYS 14 11.542 30.603 -9.440 110 HD2 LYS 14 HD2 LYS 14 11.939 31.620 -11.646 111 HD3 LYS 14 HD3 LYS 14 11.932 29.847 -11.751 112 HE2 LYS 14 HE2 LYS 14 9.594 29.907 -12.559 113 HE3 LYS 14 HE3 LYS 14 9.598 31.677 -12.441 114 HZ1 LYS 14 HZ1 LYS 14 11.351 30.077 -14.186 115 HZ2 LYS 14 HZ2 LYS 14 10.047 30.946 -14.674 116 HZ3 LYS 14 HZ3 LYS 14 11.361 31.719 -14.067 117 H GLN 15 H GLN 15 10.422 31.092 -7.080 118 HA GLN 15 HA GLN 15 8.314 33.076 -7.426 119 HB2 GLN 15 HB2 GLN 15 7.302 31.671 -5.706 120 HB3 GLN 15 HB3 GLN 15 8.789 31.719 -4.745 121 HG2 GLN 15 HG2 GLN 15 7.053 33.277 -3.875 122 HG3 GLN 15 HG3 GLN 15 8.533 34.108 -4.349 123 HE21 GLN 15 HE21 GLN 15 7.724 36.120 -4.897 124 HE22 GLN 15 HE22 GLN 15 6.568 36.382 -6.185 125 H TRP 16 H TRP 16 8.904 35.150 -6.618 126 HA TRP 16 HA TRP 16 11.834 35.506 -6.408 127 HB2 TRP 16 HB2 TRP 16 9.579 37.494 -6.853 128 HB3 TRP 16 HB3 TRP 16 11.308 37.833 -6.961 129 HD1 TRP 16 HD1 TRP 16 8.532 35.923 -8.789 130 HE1 TRP 16 HE1 TRP 16 9.217 35.495 -11.206 131 HE3 TRP 16 HE3 TRP 16 13.311 37.727 -8.589 132 HZ2 TRP 16 HZ2 TRP 16 11.544 35.931 -12.882 133 HZ3 TRP 16 HZ3 TRP 16 14.721 37.727 -10.616 134 HH2 TRP 16 HH2 TRP 16 13.865 36.826 -12.757 135 H ILE 17 H ILE 17 12.800 36.678 -4.758 136 HA ILE 17 HA ILE 17 11.082 37.637 -2.541 137 HB ILE 17 HB ILE 17 13.086 36.942 -1.041 138 HG12 ILE 17 HG12 ILE 17 13.396 34.852 -3.235 139 HG13 ILE 17 HG13 ILE 17 14.520 36.199 -2.974 140 HG21 ILE 17 HG21 ILE 17 11.209 34.797 -2.102 141 HG22 ILE 17 HG22 ILE 17 11.995 34.833 -0.504 142 HG23 ILE 17 HG23 ILE 17 10.766 36.041 -0.910 143 HD11 ILE 17 HD11 ILE 17 15.394 34.219 -1.880 144 HD12 ILE 17 HD12 ILE 17 14.907 35.393 -0.638 145 HD13 ILE 17 HD13 ILE 17 13.877 33.987 -0.986 146 HA PRO 18 HA PRO 18 13.555 41.240 -3.307 147 HB2 PRO 18 HB2 PRO 18 13.156 42.638 -0.971 148 HB3 PRO 18 HB3 PRO 18 11.895 42.451 -2.233 149 HG2 PRO 18 HG2 PRO 18 12.265 40.817 0.290 150 HG3 PRO 18 HG3 PRO 18 10.753 41.562 -0.335 151 HD2 PRO 18 HD2 PRO 18 11.341 38.937 -0.772 152 HD3 PRO 18 HD3 PRO 18 10.553 39.925 -2.038 153 H THR 19 H THR 19 15.583 42.176 -2.640 154 HA THR 19 HA THR 19 17.346 40.179 -1.870 155 HB THR 19 HB THR 19 18.251 43.013 -1.703 156 HG1 THR 19 HG1 THR 19 18.205 43.085 -3.944 157 HG21 THR 19 HG21 THR 19 19.880 41.154 -1.508 158 HG22 THR 19 HG22 THR 19 19.311 40.496 -3.055 159 HG23 THR 19 HG23 THR 19 20.133 42.078 -3.004 160 H THR 20 H THR 20 15.639 42.273 0.259 161 HA THR 20 HA THR 20 17.527 42.054 2.423 162 HB THR 20 HB THR 20 15.856 43.915 2.051 163 HG1 THR 20 HG1 THR 20 15.648 44.163 4.288 164 HG21 THR 20 HG21 THR 20 13.636 43.629 3.044 165 HG22 THR 20 HG22 THR 20 13.844 42.453 1.736 166 HG23 THR 20 HG23 THR 20 13.987 41.933 3.436 167 H GLU 21 H GLU 21 15.332 39.800 1.128 168 HA GLU 21 HA GLU 21 15.108 38.360 3.723 169 HB2 GLU 21 HB2 GLU 21 13.756 37.897 1.039 170 HB3 GLU 21 HB3 GLU 21 13.397 37.019 2.526 171 HG2 GLU 21 HG2 GLU 21 12.965 40.002 2.048 172 HG3 GLU 21 HG3 GLU 21 11.721 38.743 2.062 173 H VAL 22 H VAL 22 16.796 38.334 0.645 174 HA VAL 22 HA VAL 22 17.304 35.533 0.538 175 HB VAL 22 HB VAL 22 19.069 37.750 -0.557 176 HG11 VAL 22 HG11 VAL 22 18.568 34.880 -1.452 177 HG12 VAL 22 HG12 VAL 22 19.597 36.064 -2.290 178 HG13 VAL 22 HG13 VAL 22 20.048 35.490 -0.674 179 HG21 VAL 22 HG21 VAL 22 17.744 37.597 -2.614 180 HG22 VAL 22 HG22 VAL 22 16.643 36.435 -1.837 181 HG23 VAL 22 HG23 VAL 22 16.721 38.118 -1.263 182 H GLY 23 H GLY 23 18.773 38.152 2.364 183 HA2 GLY 23 HA2 GLY 23 21.234 36.802 3.001 184 HA3 GLY 23 HA3 GLY 23 20.548 38.221 3.814 185 H LYS 24 H LYS 24 17.993 36.288 4.077 186 HA LYS 24 HA LYS 24 18.842 35.229 6.705 187 HB2 LYS 24 HB2 LYS 24 16.104 35.347 5.383 188 HB3 LYS 24 HB3 LYS 24 16.441 34.896 7.062 189 HG2 LYS 24 HG2 LYS 24 17.332 37.161 7.508 190 HG3 LYS 24 HG3 LYS 24 17.054 37.608 5.805 191 HD2 LYS 24 HD2 LYS 24 14.631 37.086 6.099 192 HD3 LYS 24 HD3 LYS 24 14.925 36.821 7.830 193 HE2 LYS 24 HE2 LYS 24 15.691 39.133 8.089 194 HE3 LYS 24 HE3 LYS 24 15.591 39.385 6.334 195 HZ1 LYS 24 HZ1 LYS 24 13.238 39.034 6.468 196 HZ2 LYS 24 HZ2 LYS 24 13.308 38.808 8.097 197 HZ3 LYS 24 HZ3 LYS 24 13.672 40.276 7.452 198 H ILE 25 H ILE 25 18.322 34.147 3.441 199 HA ILE 25 HA ILE 25 17.794 31.366 4.298 200 HB ILE 25 HB ILE 25 17.918 32.612 1.537 201 HG12 ILE 25 HG12 ILE 25 15.453 31.956 3.201 202 HG13 ILE 25 HG13 ILE 25 16.102 33.588 2.951 203 HG21 ILE 25 HG21 ILE 25 16.797 29.941 2.492 204 HG22 ILE 25 HG22 ILE 25 16.743 30.555 0.819 205 HG23 ILE 25 HG23 ILE 25 18.293 30.163 1.557 206 HD11 ILE 25 HD11 ILE 25 15.848 33.301 0.496 207 HD12 ILE 25 HD12 ILE 25 15.029 31.746 0.790 208 HD13 ILE 25 HD13 ILE 25 14.305 33.247 1.388 209 H LEU 26 H LEU 26 20.315 33.409 2.856 210 HA LEU 26 HA LEU 26 22.057 31.003 2.541 211 HB2 LEU 26 HB2 LEU 26 22.137 33.581 0.948 212 HB3 LEU 26 HB3 LEU 26 23.071 32.107 0.640 213 HG LEU 26 HG LEU 26 20.038 32.366 0.412 214 HD11 LEU 26 HD11 LEU 26 20.503 32.164 -2.017 215 HD12 LEU 26 HD12 LEU 26 21.269 33.607 -1.319 216 HD13 LEU 26 HD13 LEU 26 22.252 32.174 -1.676 217 HD21 LEU 26 HD21 LEU 26 20.741 30.081 1.042 218 HD22 LEU 26 HD22 LEU 26 20.201 30.132 -0.648 219 HD23 LEU 26 HD23 LEU 26 21.943 30.085 -0.269 220 H GLY 27 H GLY 27 21.639 33.725 4.444 221 HA2 GLY 27 HA2 GLY 27 24.340 34.774 4.425 222 HA3 GLY 27 HA3 GLY 27 23.035 35.197 5.547 223 H ASN 28 H ASN 28 23.467 31.820 5.471 224 HA ASN 28 HA ASN 28 25.506 31.809 7.594 225 HB2 ASN 28 HB2 ASN 28 23.944 30.438 9.054 226 HB3 ASN 28 HB3 ASN 28 23.576 32.157 8.905 227 HD21 ASN 28 HD21 ASN 28 21.410 31.739 9.573 228 HD22 ASN 28 HD22 ASN 28 20.242 31.102 8.427 229 H ARG 29 H ARG 29 26.103 30.933 5.176 230 HA ARG 29 HA ARG 29 26.680 29.186 3.867 231 HB2 ARG 29 HB2 ARG 29 26.590 27.543 6.421 232 HB3 ARG 29 HB3 ARG 29 27.473 27.151 4.946 233 HG2 ARG 29 HG2 ARG 29 27.984 29.549 6.767 234 HG3 ARG 29 HG3 ARG 29 28.963 28.077 6.671 235 HD2 ARG 29 HD2 ARG 29 29.444 28.581 4.273 236 HD3 ARG 29 HD3 ARG 29 28.513 30.077 4.421 237 HE ARG 29 HE ARG 29 30.187 31.022 5.792 238 HH11 ARG 29 HH11 ARG 29 31.047 27.743 4.777 239 HH12 ARG 29 HH12 ARG 29 32.735 27.935 5.192 240 HH21 ARG 29 HH21 ARG 29 32.402 31.243 6.309 241 HH22 ARG 29 HH22 ARG 29 33.492 29.900 6.059 242 H ALA 30 H ALA 30 23.901 29.824 4.183 243 HA ALA 30 HA ALA 30 21.848 29.134 3.659 244 HB1 ALA 30 HB1 ALA 30 23.006 28.623 1.555 245 HB2 ALA 30 HB2 ALA 30 23.296 26.961 2.118 246 HB3 ALA 30 HB3 ALA 30 21.632 27.531 1.843 247 H ALA 31 H ALA 31 22.979 28.042 6.178 248 HA ALA 31 HA ALA 31 22.206 25.337 6.541 249 HB1 ALA 31 HB1 ALA 31 22.264 25.927 8.943 250 HB2 ALA 31 HB2 ALA 31 23.665 26.593 8.075 251 HB3 ALA 31 HB3 ALA 31 22.306 27.654 8.514 252 H VAL 32 H VAL 32 20.285 28.305 6.403 253 HA VAL 32 HA VAL 32 17.939 27.189 7.721 254 HB VAL 32 HB VAL 32 18.541 29.612 5.985 255 HG11 VAL 32 HG11 VAL 32 15.832 28.795 7.116 256 HG12 VAL 32 HG12 VAL 32 16.219 30.394 6.443 257 HG13 VAL 32 HG13 VAL 32 16.242 28.969 5.393 258 HG21 VAL 32 HG21 VAL 32 19.256 29.565 8.373 259 HG22 VAL 32 HG22 VAL 32 18.023 30.817 8.062 260 HG23 VAL 32 HG23 VAL 32 17.570 29.293 8.858 261 H LYS 33 H LYS 33 19.130 27.522 4.331 262 HA LYS 33 HA LYS 33 16.702 26.502 3.161 263 HB2 LYS 33 HB2 LYS 33 18.446 27.894 2.000 264 HB3 LYS 33 HB3 LYS 33 19.539 26.494 2.050 265 HG2 LYS 33 HG2 LYS 33 17.862 25.177 0.737 266 HG3 LYS 33 HG3 LYS 33 16.816 26.612 0.692 267 HD2 LYS 33 HD2 LYS 33 17.990 26.588 -1.392 268 HD3 LYS 33 HD3 LYS 33 18.722 27.865 -0.410 269 HE2 LYS 33 HE2 LYS 33 20.500 26.622 -1.461 270 HE3 LYS 33 HE3 LYS 33 20.517 26.209 0.261 271 HZ1 LYS 33 HZ1 LYS 33 19.277 24.196 -0.320 272 HZ2 LYS 33 HZ2 LYS 33 19.316 24.603 -1.898 273 HZ3 LYS 33 HZ3 LYS 33 20.718 24.257 -1.106 274 H LYS 34 H LYS 34 19.787 25.090 4.222 275 HA LYS 34 HA LYS 34 19.314 22.452 3.200 276 HB2 LYS 34 HB2 LYS 34 21.157 23.559 5.351 277 HB3 LYS 34 HB3 LYS 34 21.209 21.880 4.793 278 HG2 LYS 34 HG2 LYS 34 21.784 22.545 2.550 279 HG3 LYS 34 HG3 LYS 34 21.459 24.250 2.899 280 HD2 LYS 34 HD2 LYS 34 23.308 24.292 4.535 281 HD3 LYS 34 HD3 LYS 34 23.655 22.583 4.203 282 HE2 LYS 34 HE2 LYS 34 24.169 23.109 1.864 283 HE3 LYS 34 HE3 LYS 34 23.689 24.796 2.109 284 HZ1 LYS 34 HZ1 LYS 34 25.482 25.053 3.642 285 HZ2 LYS 34 HZ2 LYS 34 25.933 23.478 3.482 286 HZ3 LYS 34 HZ3 LYS 34 26.071 24.504 2.208 287 H HIS 35 H HIS 35 18.191 24.082 6.121 288 HA HIS 35 HA HIS 35 17.601 21.565 7.488 289 HB2 HIS 35 HB2 HIS 35 18.105 23.690 8.688 290 HB3 HIS 35 HB3 HIS 35 16.603 24.382 8.051 291 HD1 HIS 35 HD1 HIS 35 17.797 21.581 10.443 292 HD2 HIS 35 HD2 HIS 35 14.348 23.728 9.310 293 HE1 HIS 35 HE1 HIS 35 15.958 20.945 12.114 294 HE2 HIS 35 HE2 HIS 35 13.865 22.253 11.416 295 H ILE 36 H ILE 36 15.830 23.946 5.474 296 HA ILE 36 HA ILE 36 13.244 22.779 5.972 297 HB ILE 36 HB ILE 36 14.341 24.667 3.871 298 HG12 ILE 36 HG12 ILE 36 12.446 25.052 6.230 299 HG13 ILE 36 HG13 ILE 36 14.180 25.405 6.259 300 HG21 ILE 36 HG21 ILE 36 12.430 23.417 2.886 301 HG22 ILE 36 HG22 ILE 36 11.436 23.824 4.303 302 HG23 ILE 36 HG23 ILE 36 12.000 25.102 3.198 303 HD11 ILE 36 HD11 ILE 36 12.100 26.762 4.496 304 HD12 ILE 36 HD12 ILE 36 12.963 27.464 5.876 305 HD13 ILE 36 HD13 ILE 36 13.856 27.040 4.397 306 H GLU 37 H GLU 37 15.873 22.084 3.708 307 HA GLU 37 HA GLU 37 14.363 20.382 1.952 308 HB2 GLU 37 HB2 GLU 37 17.311 20.535 2.668 309 HB3 GLU 37 HB3 GLU 37 16.664 19.484 1.397 310 HG2 GLU 37 HG2 GLU 37 15.773 21.374 0.172 311 HG3 GLU 37 HG3 GLU 37 16.202 22.492 1.463 312 H ARG 38 H ARG 38 15.682 19.954 5.181 313 HA ARG 38 HA ARG 38 15.291 17.021 5.046 314 HB2 ARG 38 HB2 ARG 38 16.472 18.862 7.155 315 HB3 ARG 38 HB3 ARG 38 16.302 17.106 7.339 316 HG2 ARG 38 HG2 ARG 38 17.717 16.721 5.373 317 HG3 ARG 38 HG3 ARG 38 17.859 18.472 5.098 318 HD2 ARG 38 HD2 ARG 38 19.070 18.775 7.172 319 HD3 ARG 38 HD3 ARG 38 18.717 17.115 7.679 320 HE ARG 38 HE ARG 38 20.525 16.388 6.490 321 HH11 ARG 38 HH11 ARG 38 19.587 19.530 5.133 322 HH12 ARG 38 HH12 ARG 38 20.934 19.555 4.015 323 HH21 ARG 38 HH21 ARG 38 22.250 16.479 5.025 324 HH22 ARG 38 HH22 ARG 38 22.420 17.848 3.950 325 H GLN 39 H GLN 39 13.650 19.893 6.014 326 HA GLN 39 HA GLN 39 11.955 18.675 8.038 327 HB2 GLN 39 HB2 GLN 39 12.526 21.041 8.079 328 HB3 GLN 39 HB3 GLN 39 11.849 21.263 6.454 329 HG2 GLN 39 HG2 GLN 39 9.606 20.742 7.256 330 HG3 GLN 39 HG3 GLN 39 10.231 20.403 8.878 331 HE21 GLN 39 HE21 GLN 39 8.211 22.369 8.203 332 HE22 GLN 39 HE22 GLN 39 8.860 23.937 8.657 333 H PHE 40 H PHE 40 11.911 19.097 4.542 334 HA PHE 40 HA PHE 40 9.273 17.765 4.462 335 HB2 PHE 40 HB2 PHE 40 10.081 20.218 2.906 336 HB3 PHE 40 HB3 PHE 40 8.712 19.196 2.483 337 HD1 PHE 40 HD1 PHE 40 9.559 22.129 4.101 338 HD2 PHE 40 HD2 PHE 40 7.148 18.617 4.679 339 HE1 PHE 40 HE1 PHE 40 8.098 23.391 5.640 340 HE2 PHE 40 HE2 PHE 40 5.701 19.875 6.251 341 HZ PHE 40 HZ PHE 40 6.174 22.261 6.739 342 H ASN 41 H ASN 41 12.292 17.118 3.843 343 HA ASN 41 HA ASN 41 13.467 15.857 2.403 344 HB2 ASN 41 HB2 ASN 41 10.749 14.679 1.749 345 HB3 ASN 41 HB3 ASN 41 12.304 13.954 1.338 346 HD21 ASN 41 HD21 ASN 41 10.350 12.651 2.932 347 HD22 ASN 41 HD22 ASN 41 11.001 12.463 4.546 348 H CYS 42 H CYS 42 12.146 18.450 1.409 349 HA CYS 42 HA CYS 42 11.973 18.012 -1.488 350 HB2 CYS 42 HB2 CYS 42 11.324 20.358 -1.521 351 HB3 CYS 42 HB3 CYS 42 10.427 19.536 -0.232 352 HG CYS 42 HG CYS 42 11.769 20.353 1.739 353 H VAL 43 H VAL 43 13.100 19.970 -2.720 354 HA VAL 43 HA VAL 43 15.869 20.417 -1.713 355 HB VAL 43 HB VAL 43 15.036 19.571 -4.512 356 HG11 VAL 43 HG11 VAL 43 17.746 20.476 -3.464 357 HG12 VAL 43 HG12 VAL 43 17.452 19.744 -5.054 358 HG13 VAL 43 HG13 VAL 43 16.738 21.321 -4.672 359 HG21 VAL 43 HG21 VAL 43 15.278 17.701 -2.923 360 HG22 VAL 43 HG22 VAL 43 16.608 17.700 -4.103 361 HG23 VAL 43 HG23 VAL 43 16.885 18.302 -2.453 362 H ILE 44 H ILE 44 16.652 22.511 -2.165 363 HA ILE 44 HA ILE 44 14.771 24.316 -3.599 364 HB ILE 44 HB ILE 44 16.074 24.828 -0.906 365 HG12 ILE 44 HG12 ILE 44 13.147 24.507 -1.683 366 HG13 ILE 44 HG13 ILE 44 14.117 23.319 -0.795 367 HG21 ILE 44 HG21 ILE 44 14.233 26.604 -2.572 368 HG22 ILE 44 HG22 ILE 44 14.911 27.000 -0.976 369 HG23 ILE 44 HG23 ILE 44 15.975 26.859 -2.378 370 HD11 ILE 44 HD11 ILE 44 12.753 24.568 0.772 371 HD12 ILE 44 HD12 ILE 44 14.462 24.995 1.026 372 HD13 ILE 44 HD13 ILE 44 13.373 26.110 0.165 373 H THR 45 H THR 45 15.703 25.885 -4.815 374 HA THR 45 HA THR 45 18.626 26.186 -4.689 375 HB THR 45 HB THR 45 17.325 25.836 -7.360 376 HG1 THR 45 HG1 THR 45 18.004 23.696 -7.269 377 HG21 THR 45 HG21 THR 45 20.173 25.541 -6.318 378 HG22 THR 45 HG22 THR 45 19.650 25.281 -8.001 379 HG23 THR 45 HG23 THR 45 19.543 26.897 -7.280 380 H VAL 46 H VAL 46 18.953 28.223 -4.150 381 HA VAL 46 HA VAL 46 17.281 30.318 -5.280 382 HB VAL 46 HB VAL 46 19.808 30.696 -3.656 383 HG11 VAL 46 HG11 VAL 46 18.633 32.811 -3.032 384 HG12 VAL 46 HG12 VAL 46 18.969 32.721 -4.772 385 HG13 VAL 46 HG13 VAL 46 17.326 32.404 -4.157 386 HG21 VAL 46 HG21 VAL 46 16.936 30.311 -2.723 387 HG22 VAL 46 HG22 VAL 46 18.300 29.220 -2.396 388 HG23 VAL 46 HG23 VAL 46 18.292 30.850 -1.700 389 H HIS 47 H HIS 47 17.962 32.020 -6.655 390 HA HIS 47 HA HIS 47 20.300 31.327 -8.371 391 HB2 HIS 47 HB2 HIS 47 17.432 31.901 -9.133 392 HB3 HIS 47 HB3 HIS 47 18.770 32.100 -10.280 393 HD1 HIS 47 HD1 HIS 47 20.293 29.764 -10.646 394 HD2 HIS 47 HD2 HIS 47 16.434 29.472 -8.989 395 HE1 HIS 47 HE1 HIS 47 19.563 27.309 -10.918 396 HE2 HIS 47 HE2 HIS 47 17.196 27.161 -9.932 397 H THR 48 H THR 48 21.085 32.972 -6.666 398 HA THR 48 HA THR 48 20.260 35.654 -6.885 399 HB THR 48 HB THR 48 21.864 36.224 -5.394 400 HG1 THR 48 HG1 THR 48 23.868 35.188 -5.280 401 HG21 THR 48 HG21 THR 48 21.795 33.195 -5.019 402 HG22 THR 48 HG22 THR 48 22.183 34.413 -3.789 403 HG23 THR 48 HG23 THR 48 20.539 34.326 -4.452 404 H GLU 49 H GLU 49 22.044 33.916 -9.191 405 HA GLU 49 HA GLU 49 23.522 36.167 -10.234 406 HB2 GLU 49 HB2 GLU 49 23.991 34.735 -12.111 407 HB3 GLU 49 HB3 GLU 49 24.222 33.819 -10.625 408 HG2 GLU 49 HG2 GLU 49 21.652 33.691 -12.259 409 HG3 GLU 49 HG3 GLU 49 23.051 32.672 -12.602 410 H VAL 50 H VAL 50 20.208 35.315 -10.257 411 HA VAL 50 HA VAL 50 19.624 36.831 -12.725 412 HB VAL 50 HB VAL 50 17.745 35.450 -10.787 413 HG11 VAL 50 HG11 VAL 50 16.557 37.110 -12.087 414 HG12 VAL 50 HG12 VAL 50 17.337 36.558 -13.591 415 HG13 VAL 50 HG13 VAL 50 16.180 35.512 -12.731 416 HG21 VAL 50 HG21 VAL 50 17.637 33.662 -12.510 417 HG22 VAL 50 HG22 VAL 50 18.907 34.494 -13.439 418 HG23 VAL 50 HG23 VAL 50 19.265 33.814 -11.829 419 H GLN 51 H GLN 51 18.209 38.668 -12.720 420 HA GLN 51 HA GLN 51 17.517 39.828 -10.112 421 HB2 GLN 51 HB2 GLN 51 18.424 42.027 -10.677 422 HB3 GLN 51 HB3 GLN 51 19.695 40.808 -10.546 423 HG2 GLN 51 HG2 GLN 51 19.724 40.610 -13.040 424 HG3 GLN 51 HG3 GLN 51 18.505 41.896 -13.138 425 HE21 GLN 51 HE21 GLN 51 20.648 42.479 -14.533 426 HE22 GLN 51 HE22 GLN 51 21.708 43.598 -13.702 427 H SER 52 H SER 52 15.508 40.555 -10.151 428 HA SER 52 HA SER 52 13.971 40.522 -12.617 429 HB2 SER 52 HB2 SER 52 12.103 40.969 -11.171 430 HB3 SER 52 HB3 SER 52 13.155 39.815 -10.323 431 HG SER 52 HG SER 52 12.436 41.625 -9.038 432 H SER 53 H SER 53 12.271 42.554 -12.615 433 HA SER 53 HA SER 53 13.776 44.829 -13.501 434 HB2 SER 53 HB2 SER 53 11.574 44.161 -14.422 435 HB3 SER 53 HB3 SER 53 10.817 44.504 -12.854 436 HG SER 53 HG SER 53 12.141 46.357 -14.550 437 H PHE 54 H PHE 54 13.029 43.727 -10.406 438 HA PHE 54 HA PHE 54 13.561 46.384 -9.305 439 HB2 PHE 54 HB2 PHE 54 12.082 45.694 -7.305 440 HB3 PHE 54 HB3 PHE 54 11.425 46.399 -8.776 441 HD1 PHE 54 HD1 PHE 54 11.984 43.140 -7.053 442 HD2 PHE 54 HD2 PHE 54 9.807 45.278 -10.075 443 HE1 PHE 54 HE1 PHE 54 10.455 41.194 -7.330 444 HE2 PHE 54 HE2 PHE 54 8.290 43.335 -10.359 445 HZ PHE 54 HZ PHE 54 8.615 41.293 -8.989 446 H GLY 55 H GLY 55 15.176 43.814 -9.790 447 HA2 GLY 55 HA2 GLY 55 17.262 43.339 -8.934 448 HA3 GLY 55 HA3 GLY 55 16.930 44.389 -7.543 449 H ALA 56 H ALA 56 14.340 42.223 -7.823 450 HA ALA 56 HA ALA 56 15.151 40.802 -5.454 451 HB1 ALA 56 HB1 ALA 56 12.844 40.341 -7.383 452 HB2 ALA 56 HB2 ALA 56 13.020 39.592 -5.785 453 HB3 ALA 56 HB3 ALA 56 12.814 41.349 -5.908 454 H THR 57 H THR 57 15.154 38.423 -5.282 455 HA THR 57 HA THR 57 16.652 37.189 -7.574 456 HB THR 57 HB THR 57 16.891 37.030 -4.550 457 HG1 THR 57 HG1 THR 57 19.028 37.537 -5.065 458 HG21 THR 57 HG21 THR 57 18.053 35.096 -6.598 459 HG22 THR 57 HG22 THR 57 18.582 35.233 -4.904 460 HG23 THR 57 HG23 THR 57 16.931 34.711 -5.268 461 HA PRO 58 HA PRO 58 13.188 34.304 -7.211 462 HB2 PRO 58 HB2 PRO 58 13.688 32.765 -9.372 463 HB3 PRO 58 HB3 PRO 58 13.211 34.484 -9.550 464 HG2 PRO 58 HG2 PRO 58 16.003 33.306 -9.631 465 HG3 PRO 58 HG3 PRO 58 15.267 34.472 -10.772 466 HD2 PRO 58 HD2 PRO 58 16.883 35.195 -8.629 467 HD3 PRO 58 HD3 PRO 58 15.604 36.261 -9.295 468 H VAL 59 H VAL 59 12.891 32.005 -6.795 469 HA VAL 59 HA VAL 59 15.294 30.377 -6.310 470 HB VAL 59 HB VAL 59 15.014 31.421 -4.153 471 HG11 VAL 59 HG11 VAL 59 12.078 30.610 -4.294 472 HG12 VAL 59 HG12 VAL 59 12.905 31.292 -2.877 473 HG13 VAL 59 HG13 VAL 59 12.721 32.269 -4.346 474 HG21 VAL 59 HG21 VAL 59 15.419 28.961 -4.160 475 HG22 VAL 59 HG22 VAL 59 14.536 29.517 -2.724 476 HG23 VAL 59 HG23 VAL 59 13.663 28.698 -4.031 477 H GLU 60 H GLU 60 14.845 28.171 -6.376 478 HA GLU 60 HA GLU 60 12.160 27.446 -7.444 479 HB2 GLU 60 HB2 GLU 60 14.930 26.448 -8.146 480 HB3 GLU 60 HB3 GLU 60 13.439 25.652 -8.694 481 HG2 GLU 60 HG2 GLU 60 12.731 27.646 -9.889 482 HG3 GLU 60 HG3 GLU 60 14.072 28.586 -9.223 483 H ILE 61 H ILE 61 11.391 25.295 -6.962 484 HA ILE 61 HA ILE 61 12.693 23.953 -4.663 485 HB ILE 61 HB ILE 61 9.747 24.671 -4.754 486 HG12 ILE 61 HG12 ILE 61 11.966 25.910 -3.079 487 HG13 ILE 61 HG13 ILE 61 11.110 26.690 -4.426 488 HG21 ILE 61 HG21 ILE 61 11.442 23.420 -2.557 489 HG22 ILE 61 HG22 ILE 61 9.711 23.830 -2.437 490 HG23 ILE 61 HG23 ILE 61 10.241 22.575 -3.550 491 HD11 ILE 61 HD11 ILE 61 10.152 27.474 -2.368 492 HD12 ILE 61 HD12 ILE 61 8.971 26.443 -3.202 493 HD13 ILE 61 HD13 ILE 61 9.877 25.819 -1.795 494 H VAL 62 H VAL 62 12.256 21.739 -4.539 495 HA VAL 62 HA VAL 62 10.498 20.539 -6.595 496 HB VAL 62 HB VAL 62 13.394 19.717 -6.169 497 HG11 VAL 62 HG11 VAL 62 11.224 18.656 -8.024 498 HG12 VAL 62 HG12 VAL 62 12.942 18.182 -8.068 499 HG13 VAL 62 HG13 VAL 62 11.952 17.796 -6.648 500 HG21 VAL 62 HG21 VAL 62 13.691 20.399 -8.529 501 HG22 VAL 62 HG22 VAL 62 12.031 21.031 -8.546 502 HG23 VAL 62 HG23 VAL 62 13.262 21.780 -7.496 503 H ALA 63 H ALA 63 9.502 18.676 -5.986 504 HA ALA 63 HA ALA 63 10.479 17.026 -3.813 505 HB1 ALA 63 HB1 ALA 63 9.317 18.846 -2.545 506 HB2 ALA 63 HB2 ALA 63 7.831 18.498 -3.469 507 HB3 ALA 63 HB3 ALA 63 8.512 17.273 -2.378 508 H GLN 64 H GLN 64 8.722 15.221 -3.410 509 HA GLN 64 HA GLN 64 8.266 14.024 -5.970 510 HB2 GLN 64 HB2 GLN 64 8.797 12.747 -3.939 511 HB3 GLN 64 HB3 GLN 64 7.312 13.311 -3.168 512 HG2 GLN 64 HG2 GLN 64 6.998 11.032 -3.975 513 HG3 GLN 64 HG3 GLN 64 5.956 12.125 -4.877 514 HE21 GLN 64 HE21 GLN 64 5.913 10.278 -6.434 515 HE22 GLN 64 HE22 GLN 64 7.200 10.165 -7.619 516 H ASN 65 H ASN 65 6.276 16.092 -3.926 517 HA ASN 65 HA ASN 65 4.198 16.150 -5.966 518 HB2 ASN 65 HB2 ASN 65 2.391 15.486 -4.327 519 HB3 ASN 65 HB3 ASN 65 3.456 14.181 -4.848 520 HD21 ASN 65 HD21 ASN 65 3.000 12.896 -3.017 521 HD22 ASN 65 HD22 ASN 65 3.625 13.310 -1.430 522 H LYS 66 H LYS 66 2.326 17.616 -5.187 523 HA LYS 66 HA LYS 66 3.431 20.117 -4.304 524 HB2 LYS 66 HB2 LYS 66 0.552 19.170 -4.608 525 HB3 LYS 66 HB3 LYS 66 1.045 20.850 -4.336 526 HG2 LYS 66 HG2 LYS 66 2.354 20.826 -6.422 527 HG3 LYS 66 HG3 LYS 66 1.881 19.136 -6.715 528 HD2 LYS 66 HD2 LYS 66 -0.493 19.795 -6.795 529 HD3 LYS 66 HD3 LYS 66 -0.041 21.487 -6.484 530 HE2 LYS 66 HE2 LYS 66 1.311 21.502 -8.565 531 HE3 LYS 66 HE3 LYS 66 0.861 19.820 -8.871 532 HZ1 LYS 66 HZ1 LYS 66 -1.428 20.519 -9.000 533 HZ2 LYS 66 HZ2 LYS 66 -1.009 22.090 -8.718 534 HZ3 LYS 66 HZ3 LYS 66 -0.523 21.343 -10.095 535 H GLU 67 H GLU 67 2.178 17.365 -2.583 536 HA GLU 67 HA GLU 67 1.305 18.775 -0.221 537 HB2 GLU 67 HB2 GLU 67 2.131 15.869 -0.597 538 HB3 GLU 67 HB3 GLU 67 1.259 16.551 0.795 539 HG2 GLU 67 HG2 GLU 67 -0.564 17.279 -0.756 540 HG3 GLU 67 HG3 GLU 67 0.275 16.458 -2.085 541 H GLN 68 H GLN 68 4.367 18.428 -1.517 542 HA GLN 68 HA GLN 68 5.612 18.859 1.162 543 HB2 GLN 68 HB2 GLN 68 6.675 17.310 -1.224 544 HB3 GLN 68 HB3 GLN 68 7.645 17.717 0.191 545 HG2 GLN 68 HG2 GLN 68 5.078 16.087 0.394 546 HG3 GLN 68 HG3 GLN 68 6.655 15.368 0.068 547 HE21 GLN 68 HE21 GLN 68 6.522 14.155 2.002 548 HE22 GLN 68 HE22 GLN 68 6.834 14.907 3.556 549 H CYS 69 H CYS 69 5.413 19.669 -2.300 550 HA CYS 69 HA CYS 69 7.778 21.342 -2.260 551 HB2 CYS 69 HB2 CYS 69 6.645 20.126 -4.261 552 HB3 CYS 69 HB3 CYS 69 5.459 21.449 -4.229 553 HG CYS 69 HG CYS 69 8.742 21.541 -4.569 554 H GLN 70 H GLN 70 4.223 21.882 -1.934 555 HA GLN 70 HA GLN 70 4.450 24.770 -1.858 556 HB2 GLN 70 HB2 GLN 70 2.283 22.846 -0.933 557 HB3 GLN 70 HB3 GLN 70 2.109 24.603 -0.960 558 HG2 GLN 70 HG2 GLN 70 2.759 22.927 -3.425 559 HG3 GLN 70 HG3 GLN 70 1.122 23.405 -2.962 560 HE21 GLN 70 HE21 GLN 70 1.724 24.190 -5.397 561 HE22 GLN 70 HE22 GLN 70 2.122 25.896 -5.461 562 H GLU 71 H GLU 71 4.581 22.154 0.574 563 HA GLU 71 HA GLU 71 4.224 23.927 2.817 564 HB2 GLU 71 HB2 GLU 71 5.589 21.197 2.652 565 HB3 GLU 71 HB3 GLU 71 5.043 22.000 4.130 566 HG2 GLU 71 HG2 GLU 71 3.252 21.096 1.841 567 HG3 GLU 71 HG3 GLU 71 3.479 20.251 3.371 568 H ALA 72 H ALA 72 7.014 22.866 0.879 569 HA ALA 72 HA ALA 72 8.950 24.082 2.685 570 HB1 ALA 72 HB1 ALA 72 10.529 23.510 0.881 571 HB2 ALA 72 HB2 ALA 72 9.485 22.132 1.302 572 HB3 ALA 72 HB3 ALA 72 9.168 23.077 -0.180 573 H ARG 73 H ARG 73 6.982 25.137 -0.053 574 HA ARG 73 HA ARG 73 8.563 27.492 -0.684 575 HB2 ARG 73 HB2 ARG 73 6.906 26.401 -2.252 576 HB3 ARG 73 HB3 ARG 73 5.614 26.893 -1.145 577 HG2 ARG 73 HG2 ARG 73 6.559 29.313 -1.458 578 HG3 ARG 73 HG3 ARG 73 7.390 28.635 -2.873 579 HD2 ARG 73 HD2 ARG 73 5.128 27.741 -3.628 580 HD3 ARG 73 HD3 ARG 73 4.399 28.629 -2.285 581 HE ARG 73 HE ARG 73 5.539 29.762 -4.762 582 HH11 ARG 73 HH11 ARG 73 4.301 30.353 -1.524 583 HH12 ARG 73 HH12 ARG 73 3.844 32.012 -1.857 584 HH21 ARG 73 HH21 ARG 73 4.941 31.932 -5.199 585 HH22 ARG 73 HH22 ARG 73 4.230 32.903 -3.933 586 H ASN 74 H ASN 74 5.566 26.873 1.184 587 HA ASN 74 HA ASN 74 5.301 29.603 2.036 588 HB2 ASN 74 HB2 ASN 74 4.037 26.987 2.911 589 HB3 ASN 74 HB3 ASN 74 3.567 28.563 3.575 590 HD21 ASN 74 HD21 ASN 74 2.416 26.359 1.560 591 HD22 ASN 74 HD22 ASN 74 1.695 27.373 0.327 592 H ALA 75 H ALA 75 7.353 27.031 3.064 593 HA ALA 75 HA ALA 75 7.709 27.993 5.786 594 HB1 ALA 75 HB1 ALA 75 9.312 26.056 4.080 595 HB2 ALA 75 HB2 ALA 75 9.558 26.354 5.815 596 HB3 ALA 75 HB3 ALA 75 8.035 25.633 5.247 597 H VAL 76 H VAL 76 8.527 29.348 2.838 598 HA VAL 76 HA VAL 76 10.916 30.671 4.031 599 HB VAL 76 HB VAL 76 10.529 29.855 1.125 600 HG11 VAL 76 HG11 VAL 76 12.872 31.171 2.559 601 HG12 VAL 76 HG12 VAL 76 12.920 30.517 0.906 602 HG13 VAL 76 HG13 VAL 76 11.866 31.889 1.268 603 HG21 VAL 76 HG21 VAL 76 11.019 27.912 2.591 604 HG22 VAL 76 HG22 VAL 76 12.403 28.303 1.554 605 HG23 VAL 76 HG23 VAL 76 12.417 28.793 3.261 606 H MET 77 H MET 77 7.808 31.001 2.531 607 HA MET 77 HA MET 77 8.323 33.758 1.680 608 HB2 MET 77 HB2 MET 77 5.830 32.011 1.675 609 HB3 MET 77 HB3 MET 77 5.881 33.682 1.058 610 HG2 MET 77 HG2 MET 77 7.622 31.400 0.069 611 HG3 MET 77 HG3 MET 77 6.180 32.000 -0.742 612 HE1 MET 77 HE1 MET 77 8.469 31.760 -2.531 613 HE2 MET 77 HE2 MET 77 9.758 33.000 -2.532 614 HE3 MET 77 HE3 MET 77 9.674 31.803 -1.222 615 H SER 78 H SER 78 7.640 32.322 4.675 616 HA SER 78 HA SER 78 7.063 34.972 5.780 617 HB2 SER 78 HB2 SER 78 4.810 34.280 5.117 618 HB3 SER 78 HB3 SER 78 5.022 32.721 5.931 619 HG SER 78 HG SER 78 4.988 35.288 7.142 620 H LEU 79 H LEU 79 7.419 31.427 6.352 621 HA LEU 79 HA LEU 79 7.931 31.889 9.195 622 HB2 LEU 79 HB2 LEU 79 8.272 29.375 7.522 623 HB3 LEU 79 HB3 LEU 79 8.229 29.471 9.292 624 HG LEU 79 HG LEU 79 5.936 30.151 7.393 625 HD11 LEU 79 HD11 LEU 79 6.327 27.867 9.374 626 HD12 LEU 79 HD12 LEU 79 4.878 28.159 8.386 627 HD13 LEU 79 HD13 LEU 79 6.413 27.725 7.603 628 HD21 LEU 79 HD21 LEU 79 5.838 31.555 9.415 629 HD22 LEU 79 HD22 LEU 79 4.581 30.312 9.461 630 HD23 LEU 79 HD23 LEU 79 6.056 30.112 10.438 631 H MET 80 H MET 80 9.836 31.041 6.299 632 HA MET 80 HA MET 80 12.048 30.909 5.900 633 HB2 MET 80 HB2 MET 80 12.242 33.235 7.848 634 HB3 MET 80 HB3 MET 80 13.348 32.843 6.515 635 HG2 MET 80 HG2 MET 80 11.354 33.086 4.948 636 HG3 MET 80 HG3 MET 80 10.432 33.687 6.327 637 HE1 MET 80 HE1 MET 80 12.874 34.500 3.462 638 HE2 MET 80 HE2 MET 80 13.872 35.816 4.127 639 HE3 MET 80 HE3 MET 80 14.021 34.177 4.788 640 H GLN 81 H GLN 81 11.051 29.291 8.160 641 HA GLN 81 HA GLN 81 11.691 28.063 9.913 642 HB2 GLN 81 HB2 GLN 81 13.264 27.277 8.091 643 HB3 GLN 81 HB3 GLN 81 14.504 28.300 8.830 644 HG2 GLN 81 HG2 GLN 81 13.425 26.813 10.979 645 HG3 GLN 81 HG3 GLN 81 13.481 25.670 9.655 646 HE21 GLN 81 HE21 GLN 81 15.076 25.780 12.164 647 HE22 GLN 81 HE22 GLN 81 16.749 25.810 11.645 648 H SER 82 H SER 82 12.078 31.162 10.007 649 HA SER 82 HA SER 82 13.829 31.349 12.391 650 HB2 SER 82 HB2 SER 82 14.118 33.016 10.622 651 HB3 SER 82 HB3 SER 82 12.395 33.433 10.703 652 HG SER 82 HG SER 82 14.337 33.778 12.740 653 H HIS 83 H HIS 83 10.473 31.236 11.420 654 HA HIS 83 HA HIS 83 9.437 32.310 13.918 655 HB2 HIS 83 HB2 HIS 83 8.459 32.447 11.526 656 HB3 HIS 83 HB3 HIS 83 7.878 30.805 11.799 657 HD1 HIS 83 HD1 HIS 83 6.534 30.897 14.539 658 HD2 HIS 83 HD2 HIS 83 6.563 34.133 11.851 659 HE1 HIS 83 HE1 HIS 83 4.539 32.393 15.176 660 HE2 HIS 83 HE2 HIS 83 4.575 34.364 13.538 661 H GLN 84 H GLN 84 11.136 29.652 13.580 662 HA GLN 84 HA GLN 84 9.385 27.491 14.236 663 HB2 GLN 84 HB2 GLN 84 11.452 26.248 14.601 664 HB3 GLN 84 HB3 GLN 84 11.571 27.228 13.131 665 HG2 GLN 84 HG2 GLN 84 12.868 28.942 14.366 666 HG3 GLN 84 HG3 GLN 84 12.711 27.999 15.852 667 HE21 GLN 84 HE21 GLN 84 15.194 28.455 15.449 668 HE22 GLN 84 HE22 GLN 84 16.050 27.140 14.663 669 H ASP 85 H ASP 85 10.287 30.096 16.228 670 HA ASP 85 HA ASP 85 9.449 28.491 18.536 671 HB2 ASP 85 HB2 ASP 85 11.188 29.618 19.995 672 HB3 ASP 85 HB3 ASP 85 11.693 28.311 18.922 673 H LYS 86 H LYS 86 8.647 31.042 16.770 674 HA LYS 86 HA LYS 86 7.757 32.731 19.025 675 HB2 LYS 86 HB2 LYS 86 7.946 33.058 16.065 676 HB3 LYS 86 HB3 LYS 86 6.572 33.831 16.865 677 HG2 LYS 86 HG2 LYS 86 8.369 35.427 16.784 678 HG3 LYS 86 HG3 LYS 86 8.088 34.944 18.463 679 HD2 LYS 86 HD2 LYS 86 10.472 35.079 18.060 680 HD3 LYS 86 HD3 LYS 86 10.041 33.375 18.298 681 HE2 LYS 86 HE2 LYS 86 10.002 33.039 15.848 682 HE3 LYS 86 HE3 LYS 86 10.383 34.750 15.601 683 HZ1 LYS 86 HZ1 LYS 86 12.466 34.374 16.745 684 HZ2 LYS 86 HZ2 LYS 86 12.088 32.785 16.974 685 HZ3 LYS 86 HZ3 LYS 86 12.325 33.359 15.456 Start of MODEL 12 1 H1 SER 1 H SER 1 4.850 -7.857 -8.231 2 HA SER 1 HA SER 1 5.946 -6.317 -9.664 3 HB2 SER 1 HB2 SER 1 2.912 -6.099 -9.638 4 HB3 SER 1 HB3 SER 1 3.970 -5.642 -10.996 5 HG SER 1 HG SER 1 3.213 -7.774 -11.198 6 H GLY 2 H GLY 2 5.827 -4.087 -10.633 7 HA2 GLY 2 HA2 GLY 2 6.085 -2.090 -8.553 8 HA3 GLY 2 HA3 GLY 2 6.281 -1.865 -10.296 9 H SER 3 H SER 3 5.134 0.186 -9.292 10 HA SER 3 HA SER 3 2.327 0.009 -10.155 11 HB2 SER 3 HB2 SER 3 2.265 -0.499 -7.732 12 HB3 SER 3 HB3 SER 3 3.105 1.031 -7.398 13 HG SER 3 HG SER 3 1.325 2.114 -8.306 14 H HIS 4 H HIS 4 5.187 1.424 -10.545 15 HA HIS 4 HA HIS 4 4.014 4.028 -11.304 16 HB2 HIS 4 HB2 HIS 4 6.554 3.729 -9.659 17 HB3 HIS 4 HB3 HIS 4 5.888 5.241 -10.280 18 HD1 HIS 4 HD1 HIS 4 3.063 5.447 -9.287 19 HD2 HIS 4 HD2 HIS 4 6.097 3.481 -7.131 20 HE1 HIS 4 HE1 HIS 4 2.298 5.402 -6.842 21 HE2 HIS 4 HE2 HIS 4 4.157 4.206 -5.532 22 H MET 5 H MET 5 5.243 5.162 -12.901 23 HA MET 5 HA MET 5 6.586 3.341 -14.735 24 HB2 MET 5 HB2 MET 5 5.879 6.294 -14.940 25 HB3 MET 5 HB3 MET 5 6.600 5.318 -16.232 26 HG2 MET 5 HG2 MET 5 4.296 5.345 -16.687 27 HG3 MET 5 HG3 MET 5 4.643 3.743 -16.044 28 HE1 MET 5 HE1 MET 5 2.344 7.140 -13.866 29 HE2 MET 5 HE2 MET 5 4.091 7.232 -14.163 30 HE3 MET 5 HE3 MET 5 2.960 7.204 -15.535 31 H LYS 6 H LYS 6 7.725 4.955 -12.084 32 HA LYS 6 HA LYS 6 9.740 5.629 -11.354 33 HB2 LYS 6 HB2 LYS 6 10.748 3.723 -13.492 34 HB3 LYS 6 HB3 LYS 6 11.689 4.346 -12.127 35 HG2 LYS 6 HG2 LYS 6 10.097 3.316 -10.539 36 HG3 LYS 6 HG3 LYS 6 9.149 2.677 -11.895 37 HD2 LYS 6 HD2 LYS 6 11.136 1.419 -12.689 38 HD3 LYS 6 HD3 LYS 6 12.075 2.025 -11.317 39 HE2 LYS 6 HE2 LYS 6 9.559 0.320 -11.125 40 HE3 LYS 6 HE3 LYS 6 11.213 -0.274 -10.944 41 HZ1 LYS 6 HZ1 LYS 6 11.463 1.182 -9.051 42 HZ2 LYS 6 HZ2 LYS 6 9.903 1.702 -9.202 43 HZ3 LYS 6 HZ3 LYS 6 10.222 0.134 -8.826 44 H THR 7 H THR 7 8.548 7.314 -13.475 45 HA THR 7 HA THR 7 10.615 8.217 -15.165 46 HB THR 7 HB THR 7 9.217 9.805 -15.974 47 HG1 THR 7 HG1 THR 7 7.590 10.760 -14.678 48 HG21 THR 7 HG21 THR 7 8.065 7.578 -16.080 49 HG22 THR 7 HG22 THR 7 7.222 7.988 -14.561 50 HG23 THR 7 HG23 THR 7 6.944 8.952 -16.030 51 H CYS 8 H CYS 8 11.623 10.300 -15.311 52 HA CYS 8 HA CYS 8 12.937 10.986 -12.782 53 HB2 CYS 8 HB2 CYS 8 14.098 10.716 -15.005 54 HB3 CYS 8 HB3 CYS 8 13.263 12.184 -15.567 55 HG CYS 8 HG CYS 8 14.195 13.777 -13.789 56 H VAL 9 H VAL 9 9.999 11.866 -14.108 57 HA VAL 9 HA VAL 9 10.089 14.711 -13.942 58 HB VAL 9 HB VAL 9 7.684 12.880 -13.665 59 HG11 VAL 9 HG11 VAL 9 7.961 15.785 -14.545 60 HG12 VAL 9 HG12 VAL 9 6.473 14.815 -14.633 61 HG13 VAL 9 HG13 VAL 9 7.182 15.197 -13.055 62 HG21 VAL 9 HG21 VAL 9 8.981 14.086 -16.147 63 HG22 VAL 9 HG22 VAL 9 8.952 12.357 -15.727 64 HG23 VAL 9 HG23 VAL 9 7.442 13.194 -16.112 65 H VAL 10 H VAL 10 9.455 16.147 -12.378 66 HA VAL 10 HA VAL 10 8.735 15.174 -9.681 67 HB VAL 10 HB VAL 10 10.504 16.614 -8.668 68 HG11 VAL 10 HG11 VAL 10 11.640 14.438 -10.470 69 HG12 VAL 10 HG12 VAL 10 12.364 15.075 -8.978 70 HG13 VAL 10 HG13 VAL 10 10.837 14.169 -8.904 71 HG21 VAL 10 HG21 VAL 10 10.959 18.106 -10.584 72 HG22 VAL 10 HG22 VAL 10 12.444 17.300 -10.043 73 HG23 VAL 10 HG23 VAL 10 11.615 16.730 -11.504 74 H GLU 11 H GLU 11 7.934 16.921 -8.330 75 HA GLU 11 HA GLU 11 6.566 18.992 -9.866 76 HB2 GLU 11 HB2 GLU 11 6.693 18.272 -6.918 77 HB3 GLU 11 HB3 GLU 11 5.777 19.659 -7.520 78 HG2 GLU 11 HG2 GLU 11 5.377 16.783 -8.456 79 HG3 GLU 11 HG3 GLU 11 4.400 17.600 -7.228 80 H LYS 12 H LYS 12 6.793 21.223 -9.614 81 HA LYS 12 HA LYS 12 9.175 22.185 -8.171 82 HB2 LYS 12 HB2 LYS 12 8.717 22.604 -11.149 83 HB3 LYS 12 HB3 LYS 12 9.771 23.622 -10.160 84 HG2 LYS 12 HG2 LYS 12 10.989 21.519 -9.444 85 HG3 LYS 12 HG3 LYS 12 10.071 20.643 -10.696 86 HD2 LYS 12 HD2 LYS 12 12.194 21.241 -11.650 87 HD3 LYS 12 HD3 LYS 12 10.995 22.339 -12.371 88 HE2 LYS 12 HE2 LYS 12 11.624 24.083 -10.704 89 HE3 LYS 12 HE3 LYS 12 12.783 22.957 -9.982 90 HZ1 LYS 12 HZ1 LYS 12 13.980 22.938 -12.056 91 HZ2 LYS 12 HZ2 LYS 12 12.905 23.979 -12.738 92 HZ3 LYS 12 HZ3 LYS 12 13.850 24.471 -11.490 93 H ILE 13 H ILE 13 9.269 24.378 -7.786 94 HA ILE 13 HA ILE 13 6.896 26.063 -8.310 95 HB ILE 13 HB ILE 13 7.998 25.255 -5.600 96 HG12 ILE 13 HG12 ILE 13 5.199 25.486 -6.779 97 HG13 ILE 13 HG13 ILE 13 6.096 23.984 -6.492 98 HG21 ILE 13 HG21 ILE 13 6.804 27.087 -4.549 99 HG22 ILE 13 HG22 ILE 13 8.016 27.727 -5.652 100 HG23 ILE 13 HG23 ILE 13 6.298 27.719 -6.136 101 HD11 ILE 13 HD11 ILE 13 5.018 25.910 -4.398 102 HD12 ILE 13 HD12 ILE 13 4.548 24.223 -4.693 103 HD13 ILE 13 HD13 ILE 13 6.163 24.596 -4.034 104 H LYS 14 H LYS 14 7.429 28.334 -8.167 105 HA LYS 14 HA LYS 14 10.291 28.980 -7.825 106 HB2 LYS 14 HB2 LYS 14 9.889 28.396 -10.226 107 HB3 LYS 14 HB3 LYS 14 8.710 29.720 -10.315 108 HG2 LYS 14 HG2 LYS 14 10.518 31.334 -9.707 109 HG3 LYS 14 HG3 LYS 14 11.669 29.977 -9.635 110 HD2 LYS 14 HD2 LYS 14 11.005 29.439 -12.042 111 HD3 LYS 14 HD3 LYS 14 10.100 30.963 -12.053 112 HE2 LYS 14 HE2 LYS 14 12.275 31.311 -13.065 113 HE3 LYS 14 HE3 LYS 14 12.186 32.198 -11.536 114 HZ1 LYS 14 HZ1 LYS 14 13.458 29.559 -11.879 115 HZ2 LYS 14 HZ2 LYS 14 14.259 30.992 -11.824 116 HZ3 LYS 14 HZ3 LYS 14 13.433 30.447 -10.501 117 H GLN 15 H GLN 15 10.550 30.940 -6.822 118 HA GLN 15 HA GLN 15 8.416 32.940 -6.936 119 HB2 GLN 15 HB2 GLN 15 7.581 31.458 -5.190 120 HB3 GLN 15 HB3 GLN 15 9.145 31.496 -4.362 121 HG2 GLN 15 HG2 GLN 15 7.482 32.985 -3.287 122 HG3 GLN 15 HG3 GLN 15 8.897 33.870 -3.869 123 HE21 GLN 15 HE21 GLN 15 8.078 35.880 -4.364 124 HE22 GLN 15 HE22 GLN 15 6.770 36.154 -5.496 125 H TRP 16 H TRP 16 9.051 34.987 -6.269 126 HA TRP 16 HA TRP 16 11.976 35.411 -6.204 127 HB2 TRP 16 HB2 TRP 16 9.657 37.360 -6.481 128 HB3 TRP 16 HB3 TRP 16 11.368 37.715 -6.721 129 HD1 TRP 16 HD1 TRP 16 8.481 35.781 -8.335 130 HE1 TRP 16 HE1 TRP 16 8.975 35.383 -10.810 131 HE3 TRP 16 HE3 TRP 16 13.220 37.690 -8.520 132 HZ2 TRP 16 HZ2 TRP 16 11.152 35.862 -12.658 133 HZ3 TRP 16 HZ3 TRP 16 14.469 37.713 -10.649 134 HH2 TRP 16 HH2 TRP 16 13.451 36.797 -12.722 135 H ILE 17 H ILE 17 12.993 36.681 -4.643 136 HA ILE 17 HA ILE 17 11.384 37.629 -2.348 137 HB ILE 17 HB ILE 17 13.462 36.904 -0.924 138 HG12 ILE 17 HG12 ILE 17 13.524 34.735 -3.073 139 HG13 ILE 17 HG13 ILE 17 14.738 36.015 -2.899 140 HG21 ILE 17 HG21 ILE 17 11.409 34.843 -1.805 141 HG22 ILE 17 HG22 ILE 17 12.285 34.888 -0.255 142 HG23 ILE 17 HG23 ILE 17 11.107 36.149 -0.640 143 HD11 ILE 17 HD11 ILE 17 14.069 33.867 -0.843 144 HD12 ILE 17 HD12 ILE 17 15.550 34.018 -1.804 145 HD13 ILE 17 HD13 ILE 17 15.179 35.230 -0.555 146 HA PRO 18 HA PRO 18 13.887 41.157 -3.361 147 HB2 PRO 18 HB2 PRO 18 13.469 42.709 -1.136 148 HB3 PRO 18 HB3 PRO 18 12.213 42.438 -2.392 149 HG2 PRO 18 HG2 PRO 18 12.587 40.969 0.231 150 HG3 PRO 18 HG3 PRO 18 11.071 41.683 -0.421 151 HD2 PRO 18 HD2 PRO 18 11.619 39.043 -0.704 152 HD3 PRO 18 HD3 PRO 18 10.859 39.972 -2.040 153 H THR 19 H THR 19 15.918 42.158 -2.687 154 HA THR 19 HA THR 19 17.650 40.196 -1.765 155 HB THR 19 HB THR 19 18.571 43.021 -1.720 156 HG1 THR 19 HG1 THR 19 18.576 42.969 -3.980 157 HG21 THR 19 HG21 THR 19 20.186 41.176 -1.397 158 HG22 THR 19 HG22 THR 19 19.627 40.413 -2.902 159 HG23 THR 19 HG23 THR 19 20.463 41.982 -2.950 160 H THR 20 H THR 20 15.891 42.403 0.207 161 HA THR 20 HA THR 20 17.720 42.191 2.430 162 HB THR 20 HB THR 20 16.407 43.627 3.605 163 HG1 THR 20 HG1 THR 20 14.196 43.860 3.224 164 HG21 THR 20 HG21 THR 20 15.690 45.397 2.106 165 HG22 THR 20 HG22 THR 20 17.163 44.662 1.441 166 HG23 THR 20 HG23 THR 20 15.579 44.266 0.734 167 H GLU 21 H GLU 21 15.543 40.020 1.143 168 HA GLU 21 HA GLU 21 15.134 38.675 3.769 169 HB2 GLU 21 HB2 GLU 21 13.680 38.347 1.109 170 HB3 GLU 21 HB3 GLU 21 13.306 37.461 2.588 171 HG2 GLU 21 HG2 GLU 21 13.090 40.472 2.211 172 HG3 GLU 21 HG3 GLU 21 11.745 39.319 2.233 173 H VAL 22 H VAL 22 16.927 38.506 0.807 174 HA VAL 22 HA VAL 22 17.189 35.649 0.674 175 HB VAL 22 HB VAL 22 19.088 37.834 -0.276 176 HG11 VAL 22 HG11 VAL 22 18.809 34.924 -1.104 177 HG12 VAL 22 HG12 VAL 22 19.851 36.127 -1.899 178 HG13 VAL 22 HG13 VAL 22 20.178 35.642 -0.222 179 HG21 VAL 22 HG21 VAL 22 16.799 38.061 -1.230 180 HG22 VAL 22 HG22 VAL 22 17.987 37.563 -2.455 181 HG23 VAL 22 HG23 VAL 22 16.870 36.364 -1.762 182 H GLY 23 H GLY 23 18.730 38.159 2.618 183 HA2 GLY 23 HA2 GLY 23 21.036 36.617 3.387 184 HA3 GLY 23 HA3 GLY 23 20.425 38.089 4.168 185 H LYS 24 H LYS 24 17.688 36.462 4.348 186 HA LYS 24 HA LYS 24 18.323 35.313 6.978 187 HB2 LYS 24 HB2 LYS 24 15.657 35.621 5.541 188 HB3 LYS 24 HB3 LYS 24 15.898 35.132 7.228 189 HG2 LYS 24 HG2 LYS 24 17.094 37.353 7.597 190 HG3 LYS 24 HG3 LYS 24 16.534 37.829 5.977 191 HD2 LYS 24 HD2 LYS 24 14.179 37.349 6.714 192 HD3 LYS 24 HD3 LYS 24 14.794 36.973 8.335 193 HE2 LYS 24 HE2 LYS 24 13.969 39.246 8.319 194 HE3 LYS 24 HE3 LYS 24 15.732 39.276 8.502 195 HZ1 LYS 24 HZ1 LYS 24 15.894 39.776 6.161 196 HZ2 LYS 24 HZ2 LYS 24 14.264 39.690 5.988 197 HZ3 LYS 24 HZ3 LYS 24 14.933 40.885 6.902 198 H ILE 25 H ILE 25 18.549 34.146 3.890 199 HA ILE 25 HA ILE 25 17.754 31.398 4.765 200 HB ILE 25 HB ILE 25 17.552 32.556 1.963 201 HG12 ILE 25 HG12 ILE 25 15.291 32.011 3.929 202 HG13 ILE 25 HG13 ILE 25 15.906 33.619 3.493 203 HG21 ILE 25 HG21 ILE 25 17.945 30.111 2.084 204 HG22 ILE 25 HG22 ILE 25 16.545 29.938 3.156 205 HG23 ILE 25 HG23 ILE 25 16.323 30.469 1.470 206 HD11 ILE 25 HD11 ILE 25 14.589 31.636 1.602 207 HD12 ILE 25 HD12 ILE 25 13.944 33.190 2.167 208 HD13 ILE 25 HD13 ILE 25 15.365 33.156 1.103 209 H LEU 26 H LEU 26 20.026 33.447 2.931 210 HA LEU 26 HA LEU 26 21.796 31.074 2.597 211 HB2 LEU 26 HB2 LEU 26 21.712 33.576 0.896 212 HB3 LEU 26 HB3 LEU 26 22.621 32.095 0.573 213 HG LEU 26 HG LEU 26 19.581 32.339 0.625 214 HD11 LEU 26 HD11 LEU 26 21.512 31.973 -1.706 215 HD12 LEU 26 HD12 LEU 26 19.740 32.069 -1.795 216 HD13 LEU 26 HD13 LEU 26 20.682 33.492 -1.294 217 HD21 LEU 26 HD21 LEU 26 20.346 30.071 1.259 218 HD22 LEU 26 HD22 LEU 26 19.650 30.072 -0.378 219 HD23 LEU 26 HD23 LEU 26 21.416 30.034 -0.165 220 H GLY 27 H GLY 27 21.446 33.699 4.547 221 HA2 GLY 27 HA2 GLY 27 24.059 34.925 4.313 222 HA3 GLY 27 HA3 GLY 27 22.824 35.247 5.543 223 H ASN 28 H ASN 28 23.317 31.905 5.490 224 HA ASN 28 HA ASN 28 25.643 31.956 7.304 225 HB2 ASN 28 HB2 ASN 28 23.636 32.396 8.719 226 HB3 ASN 28 HB3 ASN 28 22.916 30.889 8.138 227 HD21 ASN 28 HD21 ASN 28 22.876 30.388 10.504 228 HD22 ASN 28 HD22 ASN 28 24.312 29.686 11.223 229 H ARG 29 H ARG 29 26.255 30.948 5.126 230 HA ARG 29 HA ARG 29 26.755 29.145 3.840 231 HB2 ARG 29 HB2 ARG 29 26.518 27.667 6.477 232 HB3 ARG 29 HB3 ARG 29 27.342 27.081 5.020 233 HG2 ARG 29 HG2 ARG 29 28.886 29.011 5.102 234 HG3 ARG 29 HG3 ARG 29 28.086 29.599 6.573 235 HD2 ARG 29 HD2 ARG 29 29.494 26.922 6.254 236 HD3 ARG 29 HD3 ARG 29 30.167 28.338 7.073 237 HE ARG 29 HE ARG 29 28.120 26.495 8.090 238 HH11 ARG 29 HH11 ARG 29 29.664 29.651 8.450 239 HH12 ARG 29 HH12 ARG 29 29.155 29.842 10.113 240 HH21 ARG 29 HH21 ARG 29 27.490 26.759 10.267 241 HH22 ARG 29 HH22 ARG 29 27.941 28.203 11.141 242 H ALA 30 H ALA 30 23.910 29.850 4.121 243 HA ALA 30 HA ALA 30 21.848 29.120 3.622 244 HB1 ALA 30 HB1 ALA 30 22.983 28.738 1.479 245 HB2 ALA 30 HB2 ALA 30 23.349 27.065 1.961 246 HB3 ALA 30 HB3 ALA 30 21.661 27.584 1.736 247 H ALA 31 H ALA 31 23.164 27.877 6.036 248 HA ALA 31 HA ALA 31 22.306 25.168 6.261 249 HB1 ALA 31 HB1 ALA 31 22.674 27.304 8.402 250 HB2 ALA 31 HB2 ALA 31 22.612 25.547 8.670 251 HB3 ALA 31 HB3 ALA 31 23.956 26.254 7.749 252 H VAL 32 H VAL 32 20.564 28.222 6.421 253 HA VAL 32 HA VAL 32 18.246 27.202 7.836 254 HB VAL 32 HB VAL 32 18.744 29.604 6.033 255 HG11 VAL 32 HG11 VAL 32 16.295 28.889 7.703 256 HG12 VAL 32 HG12 VAL 32 16.601 30.484 6.978 257 HG13 VAL 32 HG13 VAL 32 16.355 29.069 5.939 258 HG21 VAL 32 HG21 VAL 32 18.675 30.853 8.171 259 HG22 VAL 32 HG22 VAL 32 18.446 29.324 9.052 260 HG23 VAL 32 HG23 VAL 32 19.966 29.634 8.178 261 H LYS 33 H LYS 33 19.268 27.512 4.405 262 HA LYS 33 HA LYS 33 16.735 26.691 3.314 263 HB2 LYS 33 HB2 LYS 33 18.509 27.944 2.064 264 HB3 LYS 33 HB3 LYS 33 19.546 26.509 2.139 265 HG2 LYS 33 HG2 LYS 33 17.819 25.226 0.862 266 HG3 LYS 33 HG3 LYS 33 16.799 26.681 0.819 267 HD2 LYS 33 HD2 LYS 33 17.943 26.580 -1.285 268 HD3 LYS 33 HD3 LYS 33 18.706 27.874 -0.344 269 HE2 LYS 33 HE2 LYS 33 20.450 26.592 -1.401 270 HE3 LYS 33 HE3 LYS 33 20.498 26.237 0.330 271 HZ1 LYS 33 HZ1 LYS 33 19.242 24.204 -0.158 272 HZ2 LYS 33 HZ2 LYS 33 19.268 24.548 -1.752 273 HZ3 LYS 33 HZ3 LYS 33 20.674 24.240 -0.972 274 H LYS 34 H LYS 34 19.758 25.012 4.219 275 HA LYS 34 HA LYS 34 18.907 22.446 3.227 276 HB2 LYS 34 HB2 LYS 34 21.130 23.316 5.097 277 HB3 LYS 34 HB3 LYS 34 20.911 21.644 4.530 278 HG2 LYS 34 HG2 LYS 34 21.081 22.370 2.194 279 HG3 LYS 34 HG3 LYS 34 21.257 24.058 2.700 280 HD2 LYS 34 HD2 LYS 34 23.196 21.817 3.415 281 HD3 LYS 34 HD3 LYS 34 23.426 23.000 2.110 282 HE2 LYS 34 HE2 LYS 34 23.297 24.843 3.785 283 HE3 LYS 34 HE3 LYS 34 23.169 23.633 5.080 284 HZ1 LYS 34 HZ1 LYS 34 25.412 24.403 4.786 285 HZ2 LYS 34 HZ2 LYS 34 25.321 22.800 4.414 286 HZ3 LYS 34 HZ3 LYS 34 25.429 23.923 3.217 287 H HIS 35 H HIS 35 18.041 24.181 6.093 288 HA HIS 35 HA HIS 35 17.391 21.762 7.621 289 HB2 HIS 35 HB2 HIS 35 17.989 23.844 8.772 290 HB3 HIS 35 HB3 HIS 35 16.653 24.691 7.978 291 HD1 HIS 35 HD1 HIS 35 16.880 21.483 10.209 292 HD2 HIS 35 HD2 HIS 35 14.602 24.964 9.525 293 HE1 HIS 35 HE1 HIS 35 14.972 21.463 11.927 294 HE2 HIS 35 HE2 HIS 35 13.598 23.586 11.503 295 H ILE 36 H ILE 36 15.741 24.030 5.416 296 HA ILE 36 HA ILE 36 13.100 22.968 5.932 297 HB ILE 36 HB ILE 36 14.286 24.662 3.711 298 HG12 ILE 36 HG12 ILE 36 12.358 25.337 5.961 299 HG13 ILE 36 HG13 ILE 36 14.110 25.589 6.050 300 HG21 ILE 36 HG21 ILE 36 12.355 23.406 2.805 301 HG22 ILE 36 HG22 ILE 36 11.358 23.933 4.184 302 HG23 ILE 36 HG23 ILE 36 11.951 25.113 2.998 303 HD11 ILE 36 HD11 ILE 36 13.038 27.674 5.432 304 HD12 ILE 36 HD12 ILE 36 13.983 27.069 4.051 305 HD13 ILE 36 HD13 ILE 36 12.211 26.894 4.065 306 H GLU 37 H GLU 37 15.770 22.146 3.744 307 HA GLU 37 HA GLU 37 14.281 20.387 2.039 308 HB2 GLU 37 HB2 GLU 37 17.219 20.497 2.810 309 HB3 GLU 37 HB3 GLU 37 16.561 19.461 1.529 310 HG2 GLU 37 HG2 GLU 37 15.707 21.443 0.337 311 HG3 GLU 37 HG3 GLU 37 16.301 22.501 1.618 312 H ARG 38 H ARG 38 15.597 20.031 5.287 313 HA ARG 38 HA ARG 38 15.189 17.099 5.232 314 HB2 ARG 38 HB2 ARG 38 16.331 19.004 7.315 315 HB3 ARG 38 HB3 ARG 38 16.174 17.249 7.535 316 HG2 ARG 38 HG2 ARG 38 17.587 16.849 5.557 317 HG3 ARG 38 HG3 ARG 38 17.760 18.600 5.301 318 HD2 ARG 38 HD2 ARG 38 18.579 17.199 7.859 319 HD3 ARG 38 HD3 ARG 38 19.687 17.476 6.503 320 HE ARG 38 HE ARG 38 19.023 19.958 6.815 321 HH11 ARG 38 HH11 ARG 38 19.286 17.625 9.456 322 HH12 ARG 38 HH12 ARG 38 19.727 18.834 10.639 323 HH21 ARG 38 HH21 ARG 38 19.631 21.508 8.367 324 HH22 ARG 38 HH22 ARG 38 19.920 21.028 10.022 325 H GLN 39 H GLN 39 13.528 19.983 6.093 326 HA GLN 39 HA GLN 39 11.791 18.789 8.105 327 HB2 GLN 39 HB2 GLN 39 12.270 21.157 8.187 328 HB3 GLN 39 HB3 GLN 39 11.775 21.361 6.496 329 HG2 GLN 39 HG2 GLN 39 10.033 22.197 8.020 330 HG3 GLN 39 HG3 GLN 39 9.455 20.847 7.048 331 HE21 GLN 39 HE21 GLN 39 7.781 20.397 8.545 332 HE22 GLN 39 HE22 GLN 39 8.102 19.658 10.101 333 H PHE 40 H PHE 40 11.784 19.175 4.600 334 HA PHE 40 HA PHE 40 9.162 17.809 4.534 335 HB2 PHE 40 HB2 PHE 40 9.980 20.209 2.912 336 HB3 PHE 40 HB3 PHE 40 8.593 19.188 2.527 337 HD1 PHE 40 HD1 PHE 40 9.460 22.160 4.017 338 HD2 PHE 40 HD2 PHE 40 7.062 18.674 4.774 339 HE1 PHE 40 HE1 PHE 40 8.057 23.470 5.578 340 HE2 PHE 40 HE2 PHE 40 5.660 19.975 6.342 341 HZ PHE 40 HZ PHE 40 6.156 22.377 6.756 342 H ASN 41 H ASN 41 12.183 17.149 3.970 343 HA ASN 41 HA ASN 41 13.375 15.843 2.585 344 HB2 ASN 41 HB2 ASN 41 10.664 14.637 1.943 345 HB3 ASN 41 HB3 ASN 41 12.222 13.891 1.592 346 HD21 ASN 41 HD21 ASN 41 10.184 12.709 3.225 347 HD22 ASN 41 HD22 ASN 41 10.840 12.552 4.838 348 H CYS 42 H CYS 42 12.059 18.382 1.490 349 HA CYS 42 HA CYS 42 12.000 17.848 -1.405 350 HB2 CYS 42 HB2 CYS 42 11.302 20.212 -1.519 351 HB3 CYS 42 HB3 CYS 42 10.343 19.335 -0.299 352 HG CYS 42 HG CYS 42 12.946 21.340 0.067 353 H VAL 43 H VAL 43 13.136 19.837 -2.629 354 HA VAL 43 HA VAL 43 15.837 20.338 -1.492 355 HB VAL 43 HB VAL 43 15.202 19.481 -4.343 356 HG11 VAL 43 HG11 VAL 43 17.829 20.314 -3.049 357 HG12 VAL 43 HG12 VAL 43 17.658 19.598 -4.669 358 HG13 VAL 43 HG13 VAL 43 16.957 21.188 -4.333 359 HG21 VAL 43 HG21 VAL 43 15.257 17.589 -2.757 360 HG22 VAL 43 HG22 VAL 43 16.681 17.567 -3.816 361 HG23 VAL 43 HG23 VAL 43 16.833 18.143 -2.143 362 H ILE 44 H ILE 44 16.700 22.408 -2.056 363 HA ILE 44 HA ILE 44 14.830 24.197 -3.525 364 HB ILE 44 HB ILE 44 16.137 24.777 -0.846 365 HG12 ILE 44 HG12 ILE 44 13.235 24.368 -1.670 366 HG13 ILE 44 HG13 ILE 44 14.200 23.302 -0.639 367 HG21 ILE 44 HG21 ILE 44 14.283 26.504 -2.548 368 HG22 ILE 44 HG22 ILE 44 14.992 26.951 -0.981 369 HG23 ILE 44 HG23 ILE 44 16.035 26.763 -2.392 370 HD11 ILE 44 HD11 ILE 44 14.405 25.148 1.032 371 HD12 ILE 44 HD12 ILE 44 13.310 26.138 0.033 372 HD13 ILE 44 HD13 ILE 44 12.728 24.632 0.752 373 H THR 45 H THR 45 15.779 25.743 -4.777 374 HA THR 45 HA THR 45 18.723 25.874 -4.764 375 HB THR 45 HB THR 45 17.262 25.545 -7.363 376 HG1 THR 45 HG1 THR 45 16.872 23.698 -6.199 377 HG21 THR 45 HG21 THR 45 20.153 25.180 -6.481 378 HG22 THR 45 HG22 THR 45 19.516 24.830 -8.106 379 HG23 THR 45 HG23 THR 45 19.502 26.495 -7.494 380 H VAL 46 H VAL 46 19.555 27.807 -4.814 381 HA VAL 46 HA VAL 46 17.846 30.072 -5.423 382 HB VAL 46 HB VAL 46 19.568 29.994 -3.564 383 HG11 VAL 46 HG11 VAL 46 21.465 30.569 -5.884 384 HG12 VAL 46 HG12 VAL 46 21.859 30.650 -4.150 385 HG13 VAL 46 HG13 VAL 46 21.454 29.089 -4.896 386 HG21 VAL 46 HG21 VAL 46 18.439 32.051 -4.246 387 HG22 VAL 46 HG22 VAL 46 20.141 32.381 -3.869 388 HG23 VAL 46 HG23 VAL 46 19.617 32.300 -5.559 389 H HIS 47 H HIS 47 18.305 31.732 -6.961 390 HA HIS 47 HA HIS 47 20.037 30.952 -9.229 391 HB2 HIS 47 HB2 HIS 47 17.088 31.588 -9.290 392 HB3 HIS 47 HB3 HIS 47 18.124 31.846 -10.707 393 HD1 HIS 47 HD1 HIS 47 19.406 29.583 -11.641 394 HD2 HIS 47 HD2 HIS 47 16.270 29.108 -8.872 395 HE1 HIS 47 HE1 HIS 47 18.652 27.123 -11.811 396 HE2 HIS 47 HE2 HIS 47 16.728 26.853 -10.131 397 H THR 48 H THR 48 21.114 32.570 -7.536 398 HA THR 48 HA THR 48 20.354 35.274 -7.628 399 HB THR 48 HB THR 48 22.211 35.794 -6.417 400 HG1 THR 48 HG1 THR 48 24.136 34.628 -6.545 401 HG21 THR 48 HG21 THR 48 22.633 33.990 -4.807 402 HG22 THR 48 HG22 THR 48 20.910 34.064 -5.208 403 HG23 THR 48 HG23 THR 48 21.934 32.794 -5.924 404 H GLU 49 H GLU 49 21.776 33.488 -10.162 405 HA GLU 49 HA GLU 49 23.228 35.668 -11.367 406 HB2 GLU 49 HB2 GLU 49 23.373 34.245 -13.294 407 HB3 GLU 49 HB3 GLU 49 23.709 33.282 -11.860 408 HG2 GLU 49 HG2 GLU 49 20.964 33.374 -13.186 409 HG3 GLU 49 HG3 GLU 49 22.233 32.269 -13.706 410 H VAL 50 H VAL 50 19.894 34.978 -10.996 411 HA VAL 50 HA VAL 50 19.073 36.503 -13.373 412 HB VAL 50 HB VAL 50 17.378 35.298 -11.170 413 HG11 VAL 50 HG11 VAL 50 16.716 36.260 -13.986 414 HG12 VAL 50 HG12 VAL 50 15.605 35.356 -12.938 415 HG13 VAL 50 HG13 VAL 50 16.144 36.969 -12.454 416 HG21 VAL 50 HG21 VAL 50 18.687 33.530 -12.257 417 HG22 VAL 50 HG22 VAL 50 16.989 33.436 -12.748 418 HG23 VAL 50 HG23 VAL 50 18.192 34.128 -13.861 419 H GLN 51 H GLN 51 17.739 38.416 -13.227 420 HA GLN 51 HA GLN 51 17.595 39.766 -10.616 421 HB2 GLN 51 HB2 GLN 51 19.762 40.480 -11.427 422 HB3 GLN 51 HB3 GLN 51 19.084 40.903 -13.011 423 HG2 GLN 51 HG2 GLN 51 17.736 42.684 -12.021 424 HG3 GLN 51 HG3 GLN 51 18.197 42.178 -10.392 425 HE21 GLN 51 HE21 GLN 51 18.627 44.733 -10.749 426 HE22 GLN 51 HE22 GLN 51 20.312 45.097 -11.074 427 H SER 52 H SER 52 15.588 40.471 -10.407 428 HA SER 52 HA SER 52 13.806 40.713 -12.694 429 HB2 SER 52 HB2 SER 52 12.119 41.142 -11.021 430 HB3 SER 52 HB3 SER 52 13.153 39.832 -10.417 431 HG SER 52 HG SER 52 12.705 41.546 -8.892 432 H SER 53 H SER 53 12.243 42.761 -12.500 433 HA SER 53 HA SER 53 13.822 45.084 -13.157 434 HB2 SER 53 HB2 SER 53 11.630 46.160 -13.448 435 HB3 SER 53 HB3 SER 53 11.669 44.563 -14.238 436 HG SER 53 HG SER 53 9.770 44.902 -12.992 437 H PHE 54 H PHE 54 13.202 43.731 -10.209 438 HA PHE 54 HA PHE 54 13.564 46.313 -8.906 439 HB2 PHE 54 HB2 PHE 54 12.097 45.438 -6.973 440 HB3 PHE 54 HB3 PHE 54 11.417 46.208 -8.399 441 HD1 PHE 54 HD1 PHE 54 12.090 42.857 -6.898 442 HD2 PHE 54 HD2 PHE 54 9.852 45.126 -9.781 443 HE1 PHE 54 HE1 PHE 54 10.633 40.891 -7.314 444 HE2 PHE 54 HE2 PHE 54 8.402 43.159 -10.206 445 HZ PHE 54 HZ PHE 54 8.794 41.038 -8.970 446 H GLY 55 H GLY 55 15.266 43.844 -9.553 447 HA2 GLY 55 HA2 GLY 55 17.372 43.395 -8.728 448 HA3 GLY 55 HA3 GLY 55 17.008 44.350 -7.287 449 H ALA 56 H ALA 56 14.475 42.149 -7.602 450 HA ALA 56 HA ALA 56 15.393 40.634 -5.331 451 HB1 ALA 56 HB1 ALA 56 13.029 41.179 -5.674 452 HB2 ALA 56 HB2 ALA 56 13.014 40.237 -7.184 453 HB3 ALA 56 HB3 ALA 56 13.259 39.421 -5.622 454 H THR 57 H THR 57 15.404 38.235 -5.275 455 HA THR 57 HA THR 57 16.732 37.091 -7.714 456 HB THR 57 HB THR 57 17.238 36.794 -4.724 457 HG1 THR 57 HG1 THR 57 18.407 38.360 -5.865 458 HG21 THR 57 HG21 THR 57 18.845 34.989 -5.298 459 HG22 THR 57 HG22 THR 57 17.166 34.508 -5.584 460 HG23 THR 57 HG23 THR 57 18.202 34.970 -6.960 461 HA PRO 58 HA PRO 58 13.257 34.262 -7.220 462 HB2 PRO 58 HB2 PRO 58 13.637 32.734 -9.418 463 HB3 PRO 58 HB3 PRO 58 13.151 34.458 -9.556 464 HG2 PRO 58 HG2 PRO 58 15.928 33.283 -9.803 465 HG3 PRO 58 HG3 PRO 58 15.116 34.458 -10.887 466 HD2 PRO 58 HD2 PRO 58 16.864 35.176 -8.852 467 HD3 PRO 58 HD3 PRO 58 15.530 36.230 -9.407 468 H VAL 59 H VAL 59 12.939 32.052 -6.679 469 HA VAL 59 HA VAL 59 15.332 30.356 -6.297 470 HB VAL 59 HB VAL 59 13.272 30.905 -4.124 471 HG11 VAL 59 HG11 VAL 59 15.827 29.255 -4.099 472 HG12 VAL 59 HG12 VAL 59 14.795 29.605 -2.692 473 HG13 VAL 59 HG13 VAL 59 14.160 28.626 -4.024 474 HG21 VAL 59 HG21 VAL 59 14.746 32.845 -4.369 475 HG22 VAL 59 HG22 VAL 59 15.155 31.951 -2.894 476 HG23 VAL 59 HG23 VAL 59 16.181 31.784 -4.339 477 H GLU 60 H GLU 60 14.866 28.111 -6.308 478 HA GLU 60 HA GLU 60 12.095 27.430 -7.167 479 HB2 GLU 60 HB2 GLU 60 14.763 26.484 -8.210 480 HB3 GLU 60 HB3 GLU 60 13.285 25.525 -8.432 481 HG2 GLU 60 HG2 GLU 60 12.179 27.313 -9.584 482 HG3 GLU 60 HG3 GLU 60 13.512 28.441 -9.240 483 H ILE 61 H ILE 61 11.357 25.309 -6.692 484 HA ILE 61 HA ILE 61 12.701 23.962 -4.411 485 HB ILE 61 HB ILE 61 9.738 24.601 -4.599 486 HG12 ILE 61 HG12 ILE 61 11.868 25.868 -2.840 487 HG13 ILE 61 HG13 ILE 61 11.032 26.648 -4.195 488 HG21 ILE 61 HG21 ILE 61 11.360 23.377 -2.332 489 HG22 ILE 61 HG22 ILE 61 9.609 23.716 -2.324 490 HG23 ILE 61 HG23 ILE 61 10.253 22.489 -3.408 491 HD11 ILE 61 HD11 ILE 61 9.744 25.705 -1.610 492 HD12 ILE 61 HD12 ILE 61 10.013 27.374 -2.132 493 HD13 ILE 61 HD13 ILE 61 8.863 26.349 -3.024 494 H VAL 62 H VAL 62 12.292 21.705 -4.329 495 HA VAL 62 HA VAL 62 10.782 20.543 -6.585 496 HB VAL 62 HB VAL 62 13.602 19.656 -5.959 497 HG11 VAL 62 HG11 VAL 62 12.157 17.953 -6.993 498 HG12 VAL 62 HG12 VAL 62 11.723 19.103 -8.287 499 HG13 VAL 62 HG13 VAL 62 13.391 18.514 -8.137 500 HG21 VAL 62 HG21 VAL 62 13.767 21.913 -6.867 501 HG22 VAL 62 HG22 VAL 62 14.236 20.740 -8.110 502 HG23 VAL 62 HG23 VAL 62 12.632 21.492 -8.178 503 H ALA 63 H ALA 63 9.794 18.636 -6.202 504 HA ALA 63 HA ALA 63 10.530 16.930 -3.961 505 HB1 ALA 63 HB1 ALA 63 7.876 18.431 -3.915 506 HB2 ALA 63 HB2 ALA 63 8.388 17.168 -2.775 507 HB3 ALA 63 HB3 ALA 63 9.240 18.729 -2.815 508 H GLN 64 H GLN 64 8.905 15.064 -3.803 509 HA GLN 64 HA GLN 64 8.418 14.064 -6.480 510 HB2 GLN 64 HB2 GLN 64 7.596 12.949 -3.767 511 HB3 GLN 64 HB3 GLN 64 7.623 12.057 -5.296 512 HG2 GLN 64 HG2 GLN 64 10.006 13.216 -3.801 513 HG3 GLN 64 HG3 GLN 64 9.588 11.504 -3.989 514 HE21 GLN 64 HE21 GLN 64 8.920 11.402 -6.740 515 HE22 GLN 64 HE22 GLN 64 10.355 11.771 -7.678 516 H ASN 65 H ASN 65 6.598 16.020 -4.323 517 HA ASN 65 HA ASN 65 4.190 15.767 -5.956 518 HB2 ASN 65 HB2 ASN 65 2.755 15.134 -4.015 519 HB3 ASN 65 HB3 ASN 65 3.896 13.867 -4.479 520 HD21 ASN 65 HD21 ASN 65 4.447 12.782 -2.655 521 HD22 ASN 65 HD22 ASN 65 4.984 13.551 -1.176 522 H LYS 66 H LYS 66 2.509 17.348 -5.302 523 HA LYS 66 HA LYS 66 3.734 19.866 -4.527 524 HB2 LYS 66 HB2 LYS 66 0.820 19.094 -4.964 525 HB3 LYS 66 HB3 LYS 66 1.424 20.745 -4.753 526 HG2 LYS 66 HG2 LYS 66 2.884 20.444 -6.760 527 HG3 LYS 66 HG3 LYS 66 2.122 18.853 -7.033 528 HD2 LYS 66 HD2 LYS 66 -0.109 19.978 -7.108 529 HD3 LYS 66 HD3 LYS 66 0.692 21.544 -6.910 530 HE2 LYS 66 HE2 LYS 66 1.049 19.604 -9.234 531 HE3 LYS 66 HE3 LYS 66 0.123 21.110 -9.265 532 HZ1 LYS 66 HZ1 LYS 66 2.214 22.275 -8.778 533 HZ2 LYS 66 HZ2 LYS 66 3.032 20.847 -8.918 534 HZ3 LYS 66 HZ3 LYS 66 2.252 21.466 -10.208 535 H GLU 67 H GLU 67 2.332 17.265 -2.759 536 HA GLU 67 HA GLU 67 1.206 18.785 -0.595 537 HB2 GLU 67 HB2 GLU 67 2.190 15.906 -0.685 538 HB3 GLU 67 HB3 GLU 67 1.136 16.593 0.557 539 HG2 GLU 67 HG2 GLU 67 0.468 16.348 -2.408 540 HG3 GLU 67 HG3 GLU 67 -0.100 15.270 -1.134 541 H GLN 68 H GLN 68 4.436 18.302 -1.506 542 HA GLN 68 HA GLN 68 5.329 19.056 1.244 543 HB2 GLN 68 HB2 GLN 68 6.718 17.244 -0.766 544 HB3 GLN 68 HB3 GLN 68 7.433 17.812 0.752 545 HG2 GLN 68 HG2 GLN 68 5.812 16.600 2.060 546 HG3 GLN 68 HG3 GLN 68 4.814 16.246 0.636 547 HE21 GLN 68 HE21 GLN 68 8.398 15.957 1.076 548 HE22 GLN 68 HE22 GLN 68 8.441 14.250 0.697 549 H CYS 69 H CYS 69 5.388 19.674 -2.221 550 HA CYS 69 HA CYS 69 7.742 21.365 -2.150 551 HB2 CYS 69 HB2 CYS 69 6.726 20.135 -4.156 552 HB3 CYS 69 HB3 CYS 69 5.467 21.390 -4.168 553 HG CYS 69 HG CYS 69 7.260 21.897 -5.999 554 H GLN 70 H GLN 70 4.175 21.822 -1.928 555 HA GLN 70 HA GLN 70 4.270 24.710 -1.924 556 HB2 GLN 70 HB2 GLN 70 2.208 22.741 -0.866 557 HB3 GLN 70 HB3 GLN 70 1.943 24.480 -1.030 558 HG2 GLN 70 HG2 GLN 70 2.676 22.671 -3.373 559 HG3 GLN 70 HG3 GLN 70 1.017 23.026 -2.905 560 HE21 GLN 70 HE21 GLN 70 1.523 23.674 -5.400 561 HE22 GLN 70 HE22 GLN 70 1.758 25.395 -5.616 562 H GLU 71 H GLU 71 4.447 22.200 0.626 563 HA GLU 71 HA GLU 71 4.103 24.062 2.794 564 HB2 GLU 71 HB2 GLU 71 5.463 21.334 2.718 565 HB3 GLU 71 HB3 GLU 71 4.927 22.182 4.178 566 HG2 GLU 71 HG2 GLU 71 3.113 21.209 1.934 567 HG3 GLU 71 HG3 GLU 71 3.357 20.407 3.482 568 H ALA 72 H ALA 72 6.861 22.963 0.863 569 HA ALA 72 HA ALA 72 8.842 24.156 2.627 570 HB1 ALA 72 HB1 ALA 72 8.991 23.175 -0.249 571 HB2 ALA 72 HB2 ALA 72 10.383 23.601 0.773 572 HB3 ALA 72 HB3 ALA 72 9.344 22.220 1.211 573 H ARG 73 H ARG 73 6.782 25.316 0.003 574 HA ARG 73 HA ARG 73 8.415 27.688 -0.519 575 HB2 ARG 73 HB2 ARG 73 6.878 26.648 -2.230 576 HB3 ARG 73 HB3 ARG 73 5.511 27.069 -1.196 577 HG2 ARG 73 HG2 ARG 73 6.419 29.511 -1.309 578 HG3 ARG 73 HG3 ARG 73 7.391 28.927 -2.681 579 HD2 ARG 73 HD2 ARG 73 5.283 28.148 -3.775 580 HD3 ARG 73 HD3 ARG 73 4.367 28.741 -2.380 581 HE ARG 73 HE ARG 73 5.619 30.351 -4.519 582 HH11 ARG 73 HH11 ARG 73 4.102 30.278 -1.350 583 HH12 ARG 73 HH12 ARG 73 3.568 31.945 -1.407 584 HH21 ARG 73 HH21 ARG 73 4.949 32.558 -4.586 585 HH22 ARG 73 HH22 ARG 73 4.078 33.239 -3.236 586 H ASN 74 H ASN 74 5.379 26.906 1.216 587 HA ASN 74 HA ASN 74 4.921 29.635 2.007 588 HB2 ASN 74 HB2 ASN 74 3.711 26.978 2.841 589 HB3 ASN 74 HB3 ASN 74 3.114 28.547 3.408 590 HD21 ASN 74 HD21 ASN 74 2.098 26.288 1.470 591 HD22 ASN 74 HD22 ASN 74 1.497 27.211 0.112 592 H ALA 75 H ALA 75 6.951 27.116 3.256 593 HA ALA 75 HA ALA 75 7.119 28.210 5.942 594 HB1 ALA 75 HB1 ALA 75 7.543 25.834 5.496 595 HB2 ALA 75 HB2 ALA 75 8.877 26.258 4.399 596 HB3 ALA 75 HB3 ALA 75 9.002 26.610 6.138 597 H VAL 76 H VAL 76 8.129 29.386 2.953 598 HA VAL 76 HA VAL 76 10.505 30.738 4.141 599 HB VAL 76 HB VAL 76 9.887 30.034 1.245 600 HG11 VAL 76 HG11 VAL 76 12.279 31.443 2.496 601 HG12 VAL 76 HG12 VAL 76 12.243 30.793 0.837 602 HG13 VAL 76 HG13 VAL 76 11.160 32.118 1.286 603 HG21 VAL 76 HG21 VAL 76 10.584 28.107 2.661 604 HG22 VAL 76 HG22 VAL 76 11.820 28.533 1.464 605 HG23 VAL 76 HG23 VAL 76 12.030 29.021 3.162 606 H MET 77 H MET 77 7.267 31.205 3.115 607 HA MET 77 HA MET 77 7.705 33.922 2.142 608 HB2 MET 77 HB2 MET 77 5.197 32.305 2.742 609 HB3 MET 77 HB3 MET 77 5.181 33.949 2.078 610 HG2 MET 77 HG2 MET 77 6.500 31.551 0.747 611 HG3 MET 77 HG3 MET 77 4.908 32.181 0.361 612 HE1 MET 77 HE1 MET 77 8.747 32.947 0.410 613 HE2 MET 77 HE2 MET 77 8.247 31.931 -0.967 614 HE3 MET 77 HE3 MET 77 8.894 33.570 -1.251 615 H SER 78 H SER 78 7.457 32.563 5.287 616 HA SER 78 HA SER 78 7.258 35.262 6.388 617 HB2 SER 78 HB2 SER 78 4.884 34.753 6.083 618 HB3 SER 78 HB3 SER 78 5.097 33.191 6.902 619 HG SER 78 HG SER 78 5.432 35.772 8.026 620 H LEU 79 H LEU 79 7.408 31.720 7.004 621 HA LEU 79 HA LEU 79 8.373 32.137 9.735 622 HB2 LEU 79 HB2 LEU 79 8.411 29.627 8.016 623 HB3 LEU 79 HB3 LEU 79 8.623 29.704 9.761 624 HG LEU 79 HG LEU 79 6.083 30.482 8.247 625 HD11 LEU 79 HD11 LEU 79 6.721 28.107 10.042 626 HD12 LEU 79 HD12 LEU 79 5.151 28.455 9.286 627 HD13 LEU 79 HD13 LEU 79 6.551 28.049 8.273 628 HD21 LEU 79 HD21 LEU 79 5.068 30.586 10.509 629 HD22 LEU 79 HD22 LEU 79 6.664 30.318 11.243 630 HD23 LEU 79 HD23 LEU 79 6.343 31.803 10.322 631 H MET 80 H MET 80 9.746 31.178 6.608 632 HA MET 80 HA MET 80 11.785 31.107 5.738 633 HB2 MET 80 HB2 MET 80 12.456 33.305 7.724 634 HB3 MET 80 HB3 MET 80 13.278 32.954 6.193 635 HG2 MET 80 HG2 MET 80 11.104 33.364 4.998 636 HG3 MET 80 HG3 MET 80 10.390 33.846 6.545 637 HE1 MET 80 HE1 MET 80 13.520 36.131 4.070 638 HE2 MET 80 HE2 MET 80 13.733 34.445 4.583 639 HE3 MET 80 HE3 MET 80 12.423 34.871 3.456 640 H GLN 81 H GLN 81 11.426 30.045 8.875 641 HA GLN 81 HA GLN 81 12.661 28.827 10.312 642 HB2 GLN 81 HB2 GLN 81 13.842 27.848 7.690 643 HB3 GLN 81 HB3 GLN 81 14.080 27.051 9.255 644 HG2 GLN 81 HG2 GLN 81 11.381 27.564 7.935 645 HG3 GLN 81 HG3 GLN 81 12.233 26.018 7.967 646 HE21 GLN 81 HE21 GLN 81 9.575 26.510 9.011 647 HE22 GLN 81 HE22 GLN 81 9.644 26.195 10.732 648 H SER 82 H SER 82 13.811 31.537 9.525 649 HA SER 82 HA SER 82 16.676 31.250 9.668 650 HB2 SER 82 HB2 SER 82 16.622 33.704 9.837 651 HB3 SER 82 HB3 SER 82 15.527 33.138 8.554 652 HG SER 82 HG SER 82 14.557 34.699 9.930 653 H HIS 83 H HIS 83 14.249 30.896 12.009 654 HA HIS 83 HA HIS 83 16.234 31.114 14.183 655 HB2 HIS 83 HB2 HIS 83 13.511 32.468 14.221 656 HB3 HIS 83 HB3 HIS 83 14.588 32.317 15.605 657 HD1 HIS 83 HD1 HIS 83 17.214 33.480 14.968 658 HD2 HIS 83 HD2 HIS 83 13.700 34.760 13.027 659 HE1 HIS 83 HE1 HIS 83 17.708 35.823 14.025 660 HE2 HIS 83 HE2 HIS 83 15.571 36.585 12.843 661 H GLN 84 H GLN 84 15.592 29.945 16.102 662 HA GLN 84 HA GLN 84 13.328 28.064 15.778 663 HB2 GLN 84 HB2 GLN 84 16.194 27.234 16.386 664 HB3 GLN 84 HB3 GLN 84 14.771 26.170 16.425 665 HG2 GLN 84 HG2 GLN 84 14.381 26.637 14.002 666 HG3 GLN 84 HG3 GLN 84 15.840 27.633 13.978 667 HE21 GLN 84 HE21 GLN 84 16.184 25.893 12.176 668 HE22 GLN 84 HE22 GLN 84 17.070 24.464 12.689 669 H ASP 85 H ASP 85 14.781 30.375 17.636 670 HA ASP 85 HA ASP 85 14.414 29.029 20.196 671 HB2 ASP 85 HB2 ASP 85 15.224 31.227 21.141 672 HB3 ASP 85 HB3 ASP 85 16.350 30.243 20.202 673 H LYS 86 H LYS 86 12.128 29.897 18.286 674 HA LYS 86 HA LYS 86 10.447 31.065 20.438 675 HB2 LYS 86 HB2 LYS 86 10.436 32.040 17.555 676 HB3 LYS 86 HB3 LYS 86 9.477 32.672 18.908 677 HG2 LYS 86 HG2 LYS 86 11.581 33.396 20.038 678 HG3 LYS 86 HG3 LYS 86 12.517 32.764 18.665 679 HD2 LYS 86 HD2 LYS 86 11.260 34.332 17.153 680 HD3 LYS 86 HD3 LYS 86 10.469 35.012 18.588 681 HE2 LYS 86 HE2 LYS 86 12.365 36.407 18.000 682 HE3 LYS 86 HE3 LYS 86 12.707 35.578 19.527 683 HZ1 LYS 86 HZ1 LYS 86 14.584 35.497 18.041 684 HZ2 LYS 86 HZ2 LYS 86 14.009 33.972 18.265 685 HZ3 LYS 86 HZ3 LYS 86 13.694 34.768 16.868 Start of MODEL 13 1 H1 SER 1 H SER 1 16.251 -3.044 -6.719 2 HA SER 1 HA SER 1 16.648 -4.042 -8.846 3 HB2 SER 1 HB2 SER 1 14.834 -5.214 -9.989 4 HB3 SER 1 HB3 SER 1 15.220 -6.031 -8.457 5 HG SER 1 HG SER 1 12.965 -5.718 -8.782 6 H GLY 2 H GLY 2 15.649 -3.184 -10.931 7 HA2 GLY 2 HA2 GLY 2 13.615 -1.200 -10.922 8 HA3 GLY 2 HA3 GLY 2 15.176 -0.405 -10.680 9 H SER 3 H SER 3 14.067 0.418 -12.876 10 HA SER 3 HA SER 3 15.684 -0.739 -15.011 11 HB2 SER 3 HB2 SER 3 13.719 -2.160 -15.186 12 HB3 SER 3 HB3 SER 3 12.646 -0.743 -15.111 13 HG SER 3 HG SER 3 13.028 -1.509 -17.256 14 H HIS 4 H HIS 4 15.789 0.666 -16.889 15 HA HIS 4 HA HIS 4 15.698 3.451 -16.209 16 HB2 HIS 4 HB2 HIS 4 16.013 2.120 -18.925 17 HB3 HIS 4 HB3 HIS 4 16.455 3.779 -18.507 18 HD1 HIS 4 HD1 HIS 4 18.271 3.590 -16.099 19 HD2 HIS 4 HD2 HIS 4 18.139 0.665 -19.132 20 HE1 HIS 4 HE1 HIS 4 20.497 2.314 -15.988 21 HE2 HIS 4 HE2 HIS 4 20.398 0.536 -17.835 22 H MET 5 H MET 5 13.247 1.320 -17.229 23 HA MET 5 HA MET 5 11.678 3.163 -18.805 24 HB2 MET 5 HB2 MET 5 11.505 0.706 -18.970 25 HB3 MET 5 HB3 MET 5 10.947 0.630 -17.296 26 HG2 MET 5 HG2 MET 5 9.059 0.456 -18.796 27 HG3 MET 5 HG3 MET 5 8.946 1.954 -17.881 28 HE1 MET 5 HE1 MET 5 11.188 1.072 -21.076 29 HE2 MET 5 HE2 MET 5 9.634 0.235 -21.316 30 HE3 MET 5 HE3 MET 5 10.092 1.596 -22.370 31 H LYS 6 H LYS 6 12.297 2.808 -15.405 32 HA LYS 6 HA LYS 6 9.801 3.791 -14.401 33 HB2 LYS 6 HB2 LYS 6 11.401 2.506 -13.048 34 HB3 LYS 6 HB3 LYS 6 12.599 3.799 -13.200 35 HG2 LYS 6 HG2 LYS 6 11.131 5.359 -12.000 36 HG3 LYS 6 HG3 LYS 6 9.855 4.120 -11.913 37 HD2 LYS 6 HD2 LYS 6 11.339 2.684 -10.561 38 HD3 LYS 6 HD3 LYS 6 12.635 3.898 -10.675 39 HE2 LYS 6 HE2 LYS 6 11.177 5.553 -9.547 40 HE3 LYS 6 HE3 LYS 6 9.883 4.348 -9.443 41 HZ1 LYS 6 HZ1 LYS 6 11.134 4.490 -7.405 42 HZ2 LYS 6 HZ2 LYS 6 11.331 3.008 -8.077 43 HZ3 LYS 6 HZ3 LYS 6 12.536 4.120 -8.182 44 H THR 7 H THR 7 9.222 5.839 -13.685 45 HA THR 7 HA THR 7 10.168 7.962 -15.323 46 HB THR 7 HB THR 7 8.445 9.241 -14.587 47 HG1 THR 7 HG1 THR 7 7.543 9.004 -12.506 48 HG21 THR 7 HG21 THR 7 7.440 6.471 -13.805 49 HG22 THR 7 HG22 THR 7 6.471 7.862 -14.326 50 HG23 THR 7 HG23 THR 7 7.571 7.075 -15.477 51 H CYS 8 H CYS 8 10.658 10.167 -14.537 52 HA CYS 8 HA CYS 8 12.360 10.229 -12.107 53 HB2 CYS 8 HB2 CYS 8 13.753 9.718 -14.165 54 HB3 CYS 8 HB3 CYS 8 13.230 11.284 -14.828 55 HG CYS 8 HG CYS 8 14.906 10.575 -12.077 56 H VAL 9 H VAL 9 9.675 11.295 -13.461 57 HA VAL 9 HA VAL 9 9.996 14.129 -13.563 58 HB VAL 9 HB VAL 9 8.244 12.839 -14.755 59 HG11 VAL 9 HG11 VAL 9 7.629 11.292 -12.913 60 HG12 VAL 9 HG12 VAL 9 6.917 12.654 -12.012 61 HG13 VAL 9 HG13 VAL 9 6.220 12.150 -13.565 62 HG21 VAL 9 HG21 VAL 9 8.037 15.277 -14.392 63 HG22 VAL 9 HG22 VAL 9 6.457 14.468 -14.434 64 HG23 VAL 9 HG23 VAL 9 7.144 14.976 -12.881 65 H VAL 10 H VAL 10 9.284 15.748 -12.139 66 HA VAL 10 HA VAL 10 8.624 15.025 -9.356 67 HB VAL 10 HB VAL 10 10.460 16.497 -8.516 68 HG11 VAL 10 HG11 VAL 10 11.490 14.118 -10.101 69 HG12 VAL 10 HG12 VAL 10 12.239 14.871 -8.678 70 HG13 VAL 10 HG13 VAL 10 10.684 14.026 -8.516 71 HG21 VAL 10 HG21 VAL 10 11.555 16.278 -11.354 72 HG22 VAL 10 HG22 VAL 10 10.926 17.760 -10.595 73 HG23 VAL 10 HG23 VAL 10 12.390 16.982 -9.957 74 H GLU 11 H GLU 11 7.925 16.919 -8.148 75 HA GLU 11 HA GLU 11 6.535 18.853 -9.830 76 HB2 GLU 11 HB2 GLU 11 6.744 18.422 -6.826 77 HB3 GLU 11 HB3 GLU 11 5.791 19.726 -7.537 78 HG2 GLU 11 HG2 GLU 11 5.405 16.764 -8.146 79 HG3 GLU 11 HG3 GLU 11 4.455 17.701 -6.985 80 H LYS 12 H LYS 12 6.695 21.149 -9.561 81 HA LYS 12 HA LYS 12 9.227 22.181 -8.459 82 HB2 LYS 12 HB2 LYS 12 8.511 22.116 -11.378 83 HB3 LYS 12 HB3 LYS 12 9.299 23.568 -10.731 84 HG2 LYS 12 HG2 LYS 12 11.124 22.231 -9.806 85 HG3 LYS 12 HG3 LYS 12 10.383 20.744 -10.447 86 HD2 LYS 12 HD2 LYS 12 10.638 21.577 -12.741 87 HD3 LYS 12 HD3 LYS 12 11.249 23.133 -12.138 88 HE2 LYS 12 HE2 LYS 12 13.167 21.983 -11.087 89 HE3 LYS 12 HE3 LYS 12 12.565 20.424 -11.671 90 HZ1 LYS 12 HZ1 LYS 12 14.261 21.315 -13.106 91 HZ2 LYS 12 HZ2 LYS 12 12.835 21.238 -13.919 92 HZ3 LYS 12 HZ3 LYS 12 13.395 22.685 -13.367 93 H ILE 13 H ILE 13 9.297 24.321 -8.029 94 HA ILE 13 HA ILE 13 6.922 26.024 -8.458 95 HB ILE 13 HB ILE 13 8.038 25.172 -5.771 96 HG12 ILE 13 HG12 ILE 13 5.234 25.315 -6.949 97 HG13 ILE 13 HG13 ILE 13 6.180 23.849 -6.635 98 HG21 ILE 13 HG21 ILE 13 6.769 26.978 -4.712 99 HG22 ILE 13 HG22 ILE 13 7.990 27.651 -5.782 100 HG23 ILE 13 HG23 ILE 13 6.284 27.604 -6.307 101 HD11 ILE 13 HD11 ILE 13 5.021 25.765 -4.581 102 HD12 ILE 13 HD12 ILE 13 4.629 24.055 -4.833 103 HD13 ILE 13 HD13 ILE 13 6.215 24.510 -4.179 104 H LYS 14 H LYS 14 7.444 28.253 -8.348 105 HA LYS 14 HA LYS 14 10.255 28.970 -7.813 106 HB2 LYS 14 HB2 LYS 14 10.225 28.469 -10.204 107 HB3 LYS 14 HB3 LYS 14 8.830 29.539 -10.438 108 HG2 LYS 14 HG2 LYS 14 10.182 31.481 -9.716 109 HG3 LYS 14 HG3 LYS 14 11.572 30.406 -9.446 110 HD2 LYS 14 HD2 LYS 14 11.546 29.770 -11.838 111 HD3 LYS 14 HD3 LYS 14 10.148 30.840 -12.103 112 HE2 LYS 14 HE2 LYS 14 11.510 32.780 -11.358 113 HE3 LYS 14 HE3 LYS 14 12.899 31.705 -11.114 114 HZ1 LYS 14 HZ1 LYS 14 12.824 31.180 -13.457 115 HZ2 LYS 14 HZ2 LYS 14 11.540 32.180 -13.687 116 HZ3 LYS 14 HZ3 LYS 14 12.993 32.803 -13.246 117 H GLN 15 H GLN 15 10.474 30.983 -6.922 118 HA GLN 15 HA GLN 15 8.303 32.919 -7.103 119 HB2 GLN 15 HB2 GLN 15 7.442 31.435 -5.356 120 HB3 GLN 15 HB3 GLN 15 8.970 31.535 -4.473 121 HG2 GLN 15 HG2 GLN 15 7.230 33.022 -3.501 122 HG3 GLN 15 HG3 GLN 15 8.645 33.919 -4.067 123 HE21 GLN 15 HE21 GLN 15 7.807 35.885 -4.669 124 HE22 GLN 15 HE22 GLN 15 6.534 36.089 -5.858 125 H TRP 16 H TRP 16 8.911 35.002 -6.446 126 HA TRP 16 HA TRP 16 11.826 35.425 -6.271 127 HB2 TRP 16 HB2 TRP 16 9.526 37.366 -6.678 128 HB3 TRP 16 HB3 TRP 16 11.249 37.723 -6.845 129 HD1 TRP 16 HD1 TRP 16 8.444 35.755 -8.576 130 HE1 TRP 16 HE1 TRP 16 9.068 35.313 -11.002 131 HE3 TRP 16 HE3 TRP 16 13.197 37.653 -8.536 132 HZ2 TRP 16 HZ2 TRP 16 11.353 35.734 -12.737 133 HZ3 TRP 16 HZ3 TRP 16 14.556 37.641 -10.594 134 HH2 TRP 16 HH2 TRP 16 13.652 36.676 -12.695 135 H ILE 17 H ILE 17 12.798 36.648 -4.649 136 HA ILE 17 HA ILE 17 11.114 37.585 -2.403 137 HB ILE 17 HB ILE 17 12.505 36.650 -0.754 138 HG12 ILE 17 HG12 ILE 17 14.393 35.747 -2.952 139 HG13 ILE 17 HG13 ILE 17 14.686 37.035 -1.765 140 HG21 ILE 17 HG21 ILE 17 12.183 34.436 -2.813 141 HG22 ILE 17 HG22 ILE 17 12.240 34.270 -1.040 142 HG23 ILE 17 HG23 ILE 17 10.869 35.082 -1.797 143 HD11 ILE 17 HD11 ILE 17 14.345 34.071 -1.162 144 HD12 ILE 17 HD12 ILE 17 15.844 35.005 -1.078 145 HD13 ILE 17 HD13 ILE 17 14.523 35.351 0.066 146 HA PRO 18 HA PRO 18 13.590 41.193 -3.140 147 HB2 PRO 18 HB2 PRO 18 13.528 42.432 -0.697 148 HB3 PRO 18 HB3 PRO 18 12.098 42.320 -1.775 149 HG2 PRO 18 HG2 PRO 18 12.837 40.508 0.541 150 HG3 PRO 18 HG3 PRO 18 11.259 41.319 0.238 151 HD2 PRO 18 HD2 PRO 18 11.663 38.744 -0.505 152 HD3 PRO 18 HD3 PRO 18 10.772 39.863 -1.582 153 H THR 19 H THR 19 15.685 42.154 -2.639 154 HA THR 19 HA THR 19 17.585 40.184 -2.186 155 HB THR 19 HB THR 19 18.394 43.024 -1.842 156 HG1 THR 19 HG1 THR 19 18.150 43.281 -4.077 157 HG21 THR 19 HG21 THR 19 19.427 40.682 -3.497 158 HG22 THR 19 HG22 THR 19 20.188 42.282 -3.375 159 HG23 THR 19 HG23 THR 19 20.091 41.234 -1.943 160 H THR 20 H THR 20 16.065 42.188 0.210 161 HA THR 20 HA THR 20 18.107 41.729 2.184 162 HB THR 20 HB THR 20 16.934 43.016 3.640 163 HG1 THR 20 HG1 THR 20 14.692 43.242 3.561 164 HG21 THR 20 HG21 THR 20 15.782 43.952 0.967 165 HG22 THR 20 HG22 THR 20 16.016 44.926 2.432 166 HG23 THR 20 HG23 THR 20 17.427 44.307 1.552 167 H GLU 21 H GLU 21 15.704 39.707 0.948 168 HA GLU 21 HA GLU 21 15.573 38.116 3.452 169 HB2 GLU 21 HB2 GLU 21 13.877 38.158 0.934 170 HB3 GLU 21 HB3 GLU 21 13.747 36.905 2.186 171 HG2 GLU 21 HG2 GLU 21 13.364 38.667 3.897 172 HG3 GLU 21 HG3 GLU 21 13.391 39.898 2.628 173 H VAL 22 H VAL 22 17.274 38.260 0.461 174 HA VAL 22 HA VAL 22 17.644 35.437 0.090 175 HB VAL 22 HB VAL 22 19.460 37.768 -0.641 176 HG11 VAL 22 HG11 VAL 22 20.325 36.212 -2.368 177 HG12 VAL 22 HG12 VAL 22 20.650 35.623 -0.723 178 HG13 VAL 22 HG13 VAL 22 19.326 34.910 -1.681 179 HG21 VAL 22 HG21 VAL 22 17.182 37.966 -1.633 180 HG22 VAL 22 HG22 VAL 22 18.410 37.600 -2.864 181 HG23 VAL 22 HG23 VAL 22 17.333 36.316 -2.276 182 H GLY 23 H GLY 23 19.125 37.899 2.174 183 HA2 GLY 23 HA2 GLY 23 21.379 36.291 2.988 184 HA3 GLY 23 HA3 GLY 23 20.775 37.767 3.766 185 H LYS 24 H LYS 24 17.990 36.324 3.862 186 HA LYS 24 HA LYS 24 18.414 35.149 6.500 187 HB2 LYS 24 HB2 LYS 24 15.904 35.450 4.793 188 HB3 LYS 24 HB3 LYS 24 15.950 34.891 6.469 189 HG2 LYS 24 HG2 LYS 24 17.013 37.058 7.142 190 HG3 LYS 24 HG3 LYS 24 16.836 37.633 5.468 191 HD2 LYS 24 HD2 LYS 24 14.390 37.369 5.624 192 HD3 LYS 24 HD3 LYS 24 14.553 36.681 7.253 193 HE2 LYS 24 HE2 LYS 24 13.897 39.013 7.436 194 HE3 LYS 24 HE3 LYS 24 15.549 38.809 8.042 195 HZ1 LYS 24 HZ1 LYS 24 16.343 39.625 5.915 196 HZ2 LYS 24 HZ2 LYS 24 14.807 39.834 5.378 197 HZ3 LYS 24 HZ3 LYS 24 15.364 40.728 6.638 198 H ILE 25 H ILE 25 18.455 33.967 3.269 199 HA ILE 25 HA ILE 25 17.803 31.205 4.191 200 HB ILE 25 HB ILE 25 18.054 32.342 1.382 201 HG12 ILE 25 HG12 ILE 25 15.555 31.622 2.974 202 HG13 ILE 25 HG13 ILE 25 16.104 33.264 2.591 203 HG21 ILE 25 HG21 ILE 25 17.054 29.633 2.364 204 HG22 ILE 25 HG22 ILE 25 17.080 30.185 0.674 205 HG23 ILE 25 HG23 ILE 25 18.597 29.931 1.536 206 HD11 ILE 25 HD11 ILE 25 15.227 31.151 0.592 207 HD12 ILE 25 HD12 ILE 25 14.411 32.674 0.991 208 HD13 ILE 25 HD13 ILE 25 15.982 32.703 0.155 209 H LEU 26 H LEU 26 20.340 33.224 2.696 210 HA LEU 26 HA LEU 26 22.082 30.814 2.509 211 HB2 LEU 26 HB2 LEU 26 22.319 33.493 1.103 212 HB3 LEU 26 HB3 LEU 26 23.289 32.039 0.792 213 HG LEU 26 HG LEU 26 20.290 32.305 0.302 214 HD11 LEU 26 HD11 LEU 26 21.682 33.617 -1.248 215 HD12 LEU 26 HD12 LEU 26 22.699 32.186 -1.565 216 HD13 LEU 26 HD13 LEU 26 20.998 32.200 -2.079 217 HD21 LEU 26 HD21 LEU 26 22.266 30.059 -0.293 218 HD22 LEU 26 HD22 LEU 26 20.940 29.998 0.896 219 HD23 LEU 26 HD23 LEU 26 20.568 30.118 -0.835 220 H GLY 27 H GLY 27 21.621 33.556 4.461 221 HA2 GLY 27 HA2 GLY 27 24.343 34.456 4.711 222 HA3 GLY 27 HA3 GLY 27 22.994 34.831 5.794 223 H ASN 28 H ASN 28 22.527 31.839 6.207 224 HA ASN 28 HA ASN 28 24.571 31.478 8.312 225 HB2 ASN 28 HB2 ASN 28 21.978 30.002 7.737 226 HB3 ASN 28 HB3 ASN 28 23.064 29.663 9.085 227 HD21 ASN 28 HD21 ASN 28 20.841 30.081 10.146 228 HD22 ASN 28 HD22 ASN 28 20.550 31.726 10.674 229 H ARG 29 H ARG 29 25.549 31.199 5.658 230 HA ARG 29 HA ARG 29 26.523 29.766 4.184 231 HB2 ARG 29 HB2 ARG 29 26.758 27.894 6.568 232 HB3 ARG 29 HB3 ARG 29 27.712 27.843 5.080 233 HG2 ARG 29 HG2 ARG 29 27.704 30.114 7.111 234 HG3 ARG 29 HG3 ARG 29 28.967 28.886 6.916 235 HD2 ARG 29 HD2 ARG 29 29.361 29.679 4.591 236 HD3 ARG 29 HD3 ARG 29 28.136 30.932 4.818 237 HE ARG 29 HE ARG 29 29.563 32.126 6.245 238 HH11 ARG 29 HH11 ARG 29 31.034 29.053 5.283 239 HH12 ARG 29 HH12 ARG 29 32.631 29.516 5.825 240 HH21 ARG 29 HH21 ARG 29 31.658 32.704 6.923 241 HH22 ARG 29 HH22 ARG 29 32.983 31.574 6.749 242 H ALA 30 H ALA 30 23.746 29.826 4.272 243 HA ALA 30 HA ALA 30 21.883 28.835 3.598 244 HB1 ALA 30 HB1 ALA 30 23.200 28.526 1.576 245 HB2 ALA 30 HB2 ALA 30 23.732 26.924 2.156 246 HB3 ALA 30 HB3 ALA 30 22.012 27.230 1.792 247 H ALA 31 H ALA 31 23.213 27.744 6.162 248 HA ALA 31 HA ALA 31 22.328 25.033 6.410 249 HB1 ALA 31 HB1 ALA 31 22.613 27.220 8.518 250 HB2 ALA 31 HB2 ALA 31 22.509 25.473 8.827 251 HB3 ALA 31 HB3 ALA 31 23.916 26.138 7.962 252 H VAL 32 H VAL 32 20.637 28.115 6.388 253 HA VAL 32 HA VAL 32 18.219 27.187 7.706 254 HB VAL 32 HB VAL 32 18.934 29.506 5.863 255 HG11 VAL 32 HG11 VAL 32 16.705 30.454 6.509 256 HG12 VAL 32 HG12 VAL 32 16.583 29.033 5.453 257 HG13 VAL 32 HG13 VAL 32 16.275 28.875 7.199 258 HG21 VAL 32 HG21 VAL 32 19.848 29.534 8.171 259 HG22 VAL 32 HG22 VAL 32 18.674 30.837 7.900 260 HG23 VAL 32 HG23 VAL 32 18.199 29.383 8.814 261 H LYS 33 H LYS 33 19.453 27.360 4.333 262 HA LYS 33 HA LYS 33 16.961 26.579 3.128 263 HB2 LYS 33 HB2 LYS 33 18.893 27.736 1.996 264 HB3 LYS 33 HB3 LYS 33 19.786 26.207 2.051 265 HG2 LYS 33 HG2 LYS 33 17.975 25.112 0.736 266 HG3 LYS 33 HG3 LYS 33 17.077 26.642 0.726 267 HD2 LYS 33 HD2 LYS 33 18.201 26.503 -1.385 268 HD3 LYS 33 HD3 LYS 33 19.036 27.729 -0.416 269 HE2 LYS 33 HE2 LYS 33 20.705 26.370 -1.501 270 HE3 LYS 33 HE3 LYS 33 20.733 25.985 0.227 271 HZ1 LYS 33 HZ1 LYS 33 20.787 23.995 -1.118 272 HZ2 LYS 33 HZ2 LYS 33 19.372 24.033 -0.281 273 HZ3 LYS 33 HZ3 LYS 33 19.385 24.403 -1.866 274 H LYS 34 H LYS 34 19.860 24.826 4.236 275 HA LYS 34 HA LYS 34 18.934 22.240 3.346 276 HB2 LYS 34 HB2 LYS 34 21.120 23.100 5.273 277 HB3 LYS 34 HB3 LYS 34 20.857 21.425 4.746 278 HG2 LYS 34 HG2 LYS 34 21.167 22.072 2.396 279 HG3 LYS 34 HG3 LYS 34 21.385 23.766 2.859 280 HD2 LYS 34 HD2 LYS 34 23.189 21.468 3.733 281 HD3 LYS 34 HD3 LYS 34 23.537 22.605 2.415 282 HE2 LYS 34 HE2 LYS 34 23.384 24.490 4.046 283 HE3 LYS 34 HE3 LYS 34 23.176 23.319 5.358 284 HZ1 LYS 34 HZ1 LYS 34 25.454 24.002 5.138 285 HZ2 LYS 34 HZ2 LYS 34 25.330 22.404 4.790 286 HZ3 LYS 34 HZ3 LYS 34 25.518 23.497 3.577 287 H HIS 35 H HIS 35 18.064 24.189 6.075 288 HA HIS 35 HA HIS 35 17.362 21.926 7.787 289 HB2 HIS 35 HB2 HIS 35 18.020 24.169 8.653 290 HB3 HIS 35 HB3 HIS 35 16.562 24.865 7.918 291 HD1 HIS 35 HD1 HIS 35 17.410 22.098 10.528 292 HD2 HIS 35 HD2 HIS 35 14.489 24.957 9.501 293 HE1 HIS 35 HE1 HIS 35 15.641 22.048 12.393 294 HE2 HIS 35 HE2 HIS 35 13.878 23.793 11.754 295 H ILE 36 H ILE 36 15.801 23.894 5.289 296 HA ILE 36 HA ILE 36 13.127 22.895 5.944 297 HB ILE 36 HB ILE 36 14.247 24.594 3.696 298 HG12 ILE 36 HG12 ILE 36 12.478 25.255 6.083 299 HG13 ILE 36 HG13 ILE 36 14.218 25.569 6.002 300 HG21 ILE 36 HG21 ILE 36 11.892 25.059 3.086 301 HG22 ILE 36 HG22 ILE 36 12.261 23.345 2.896 302 HG23 ILE 36 HG23 ILE 36 11.344 23.889 4.313 303 HD11 ILE 36 HD11 ILE 36 13.044 27.617 5.469 304 HD12 ILE 36 HD12 ILE 36 13.839 27.015 3.997 305 HD13 ILE 36 HD13 ILE 36 12.080 26.804 4.228 306 H GLU 37 H GLU 37 15.799 22.065 3.761 307 HA GLU 37 HA GLU 37 14.276 20.380 2.013 308 HB2 GLU 37 HB2 GLU 37 17.216 20.456 2.771 309 HB3 GLU 37 HB3 GLU 37 16.549 19.429 1.485 310 HG2 GLU 37 HG2 GLU 37 15.701 21.391 0.295 311 HG3 GLU 37 HG3 GLU 37 16.242 22.457 1.590 312 H ARG 38 H ARG 38 15.781 19.847 5.200 313 HA ARG 38 HA ARG 38 15.222 16.958 5.041 314 HB2 ARG 38 HB2 ARG 38 16.325 16.856 7.217 315 HB3 ARG 38 HB3 ARG 38 17.314 17.767 6.061 316 HG2 ARG 38 HG2 ARG 38 16.400 19.894 7.022 317 HG3 ARG 38 HG3 ARG 38 15.540 18.944 8.247 318 HD2 ARG 38 HD2 ARG 38 17.631 19.757 9.179 319 HD3 ARG 38 HD3 ARG 38 17.702 17.995 9.005 320 HE ARG 38 HE ARG 38 18.833 19.767 6.885 321 HH11 ARG 38 HH11 ARG 38 19.375 17.363 9.424 322 HH12 ARG 38 HH12 ARG 38 21.014 17.028 8.914 323 HH21 ARG 38 HH21 ARG 38 20.953 19.299 6.241 324 HH22 ARG 38 HH22 ARG 38 21.910 18.131 7.125 325 H GLN 39 H GLN 39 13.558 19.810 5.936 326 HA GLN 39 HA GLN 39 11.889 18.592 7.996 327 HB2 GLN 39 HB2 GLN 39 12.383 20.962 8.116 328 HB3 GLN 39 HB3 GLN 39 11.838 21.209 6.454 329 HG2 GLN 39 HG2 GLN 39 10.162 22.014 8.036 330 HG3 GLN 39 HG3 GLN 39 9.534 20.695 7.058 331 HE21 GLN 39 HE21 GLN 39 7.904 20.227 8.598 332 HE22 GLN 39 HE22 GLN 39 8.270 19.430 10.115 333 H PHE 40 H PHE 40 11.829 19.018 4.508 334 HA PHE 40 HA PHE 40 9.176 17.704 4.454 335 HB2 PHE 40 HB2 PHE 40 10.017 20.109 2.827 336 HB3 PHE 40 HB3 PHE 40 8.582 19.139 2.506 337 HD1 PHE 40 HD1 PHE 40 9.613 22.088 3.933 338 HD2 PHE 40 HD2 PHE 40 7.133 18.687 4.830 339 HE1 PHE 40 HE1 PHE 40 8.304 23.464 5.509 340 HE2 PHE 40 HE2 PHE 40 5.828 20.064 6.430 341 HZ PHE 40 HZ PHE 40 6.416 22.452 6.778 342 H ASN 41 H ASN 41 12.218 17.071 3.781 343 HA ASN 41 HA ASN 41 13.372 15.805 2.328 344 HB2 ASN 41 HB2 ASN 41 10.647 14.643 1.688 345 HB3 ASN 41 HB3 ASN 41 12.199 13.911 1.268 346 HD21 ASN 41 HD21 ASN 41 10.263 12.589 2.836 347 HD22 ASN 41 HD22 ASN 41 10.910 12.395 4.455 348 H CYS 42 H CYS 42 12.039 18.413 1.372 349 HA CYS 42 HA CYS 42 11.959 18.022 -1.540 350 HB2 CYS 42 HB2 CYS 42 11.555 20.433 0.282 351 HB3 CYS 42 HB3 CYS 42 11.387 20.458 -1.485 352 HG CYS 42 HG CYS 42 9.796 18.576 0.718 353 H VAL 43 H VAL 43 13.115 19.934 -2.753 354 HA VAL 43 HA VAL 43 15.805 20.470 -1.591 355 HB VAL 43 HB VAL 43 15.167 19.654 -4.452 356 HG11 VAL 43 HG11 VAL 43 17.802 20.467 -3.160 357 HG12 VAL 43 HG12 VAL 43 17.623 19.789 -4.792 358 HG13 VAL 43 HG13 VAL 43 16.923 21.373 -4.416 359 HG21 VAL 43 HG21 VAL 43 15.244 17.743 -2.871 360 HG22 VAL 43 HG22 VAL 43 16.647 17.730 -3.960 361 HG23 VAL 43 HG23 VAL 43 16.827 18.304 -2.285 362 H ILE 44 H ILE 44 16.634 22.553 -2.082 363 HA ILE 44 HA ILE 44 14.756 24.367 -3.507 364 HB ILE 44 HB ILE 44 16.018 24.838 -0.784 365 HG12 ILE 44 HG12 ILE 44 13.109 24.553 -1.650 366 HG13 ILE 44 HG13 ILE 44 14.043 23.355 -0.743 367 HG21 ILE 44 HG21 ILE 44 14.845 27.014 -0.831 368 HG22 ILE 44 HG22 ILE 44 15.994 26.904 -2.170 369 HG23 ILE 44 HG23 ILE 44 14.260 26.674 -2.472 370 HD11 ILE 44 HD11 ILE 44 12.659 24.572 0.806 371 HD12 ILE 44 HD12 ILE 44 14.352 25.036 1.091 372 HD13 ILE 44 HD13 ILE 44 13.256 26.135 0.213 373 H THR 45 H THR 45 15.693 26.043 -4.621 374 HA THR 45 HA THR 45 18.609 26.328 -4.461 375 HB THR 45 HB THR 45 17.383 26.049 -7.180 376 HG1 THR 45 HG1 THR 45 16.973 24.128 -6.164 377 HG21 THR 45 HG21 THR 45 20.194 25.739 -6.041 378 HG22 THR 45 HG22 THR 45 19.742 25.475 -7.743 379 HG23 THR 45 HG23 THR 45 19.595 27.096 -7.025 380 H VAL 46 H VAL 46 19.032 28.358 -3.989 381 HA VAL 46 HA VAL 46 17.349 30.506 -5.034 382 HB VAL 46 HB VAL 46 19.942 30.643 -3.452 383 HG11 VAL 46 HG11 VAL 46 17.791 32.710 -4.072 384 HG12 VAL 46 HG12 VAL 46 19.112 32.945 -2.914 385 HG13 VAL 46 HG13 VAL 46 19.480 32.738 -4.636 386 HG21 VAL 46 HG21 VAL 46 18.161 29.469 -2.199 387 HG22 VAL 46 HG22 VAL 46 18.451 31.086 -1.529 388 HG23 VAL 46 HG23 VAL 46 17.030 30.795 -2.554 389 H HIS 47 H HIS 47 17.987 32.095 -6.547 390 HA HIS 47 HA HIS 47 20.366 31.384 -8.189 391 HB2 HIS 47 HB2 HIS 47 17.510 31.877 -9.063 392 HB3 HIS 47 HB3 HIS 47 18.893 31.986 -10.172 393 HD1 HIS 47 HD1 HIS 47 20.476 29.563 -10.112 394 HD2 HIS 47 HD2 HIS 47 16.434 29.523 -8.926 395 HE1 HIS 47 HE1 HIS 47 19.684 27.122 -10.286 396 HE2 HIS 47 HE2 HIS 47 17.215 27.116 -9.602 397 H THR 48 H THR 48 21.220 33.124 -6.713 398 HA THR 48 HA THR 48 20.346 35.782 -7.075 399 HB THR 48 HB THR 48 22.024 36.468 -5.708 400 HG1 THR 48 HG1 THR 48 24.017 35.408 -5.573 401 HG21 THR 48 HG21 THR 48 21.923 33.480 -5.057 402 HG22 THR 48 HG22 THR 48 22.368 34.799 -3.953 403 HG23 THR 48 HG23 THR 48 20.707 34.676 -4.548 404 H GLU 49 H GLU 49 21.832 33.890 -9.391 405 HA GLU 49 HA GLU 49 23.492 35.880 -10.651 406 HB2 GLU 49 HB2 GLU 49 22.044 33.489 -11.901 407 HB3 GLU 49 HB3 GLU 49 23.425 34.375 -12.561 408 HG2 GLU 49 HG2 GLU 49 24.420 32.500 -11.692 409 HG3 GLU 49 HG3 GLU 49 24.681 33.683 -10.403 410 H VAL 50 H VAL 50 20.098 35.338 -10.374 411 HA VAL 50 HA VAL 50 19.427 36.792 -12.843 412 HB VAL 50 HB VAL 50 17.629 35.413 -10.838 413 HG11 VAL 50 HG11 VAL 50 17.169 36.388 -13.688 414 HG12 VAL 50 HG12 VAL 50 16.039 35.362 -12.774 415 HG13 VAL 50 HG13 VAL 50 16.388 37.002 -12.213 416 HG21 VAL 50 HG21 VAL 50 19.223 33.809 -11.798 417 HG22 VAL 50 HG22 VAL 50 17.599 33.539 -12.456 418 HG23 VAL 50 HG23 VAL 50 18.827 34.375 -13.435 419 H GLN 51 H GLN 51 17.945 38.577 -12.836 420 HA GLN 51 HA GLN 51 17.457 39.921 -10.266 421 HB2 GLN 51 HB2 GLN 51 19.635 40.782 -10.891 422 HB3 GLN 51 HB3 GLN 51 19.083 41.141 -12.535 423 HG2 GLN 51 HG2 GLN 51 17.526 42.830 -11.704 424 HG3 GLN 51 HG3 GLN 51 17.897 42.395 -10.026 425 HE21 GLN 51 HE21 GLN 51 18.167 44.993 -10.545 426 HE22 GLN 51 HE22 GLN 51 19.849 45.449 -10.720 427 H SER 52 H SER 52 15.388 40.455 -10.262 428 HA SER 52 HA SER 52 13.784 40.494 -12.671 429 HB2 SER 52 HB2 SER 52 11.957 40.850 -11.151 430 HB3 SER 52 HB3 SER 52 13.056 39.678 -10.395 431 HG SER 52 HG SER 52 12.333 41.430 -9.025 432 H SER 53 H SER 53 12.068 42.420 -12.681 433 HA SER 53 HA SER 53 13.524 44.817 -13.374 434 HB2 SER 53 HB2 SER 53 10.548 44.224 -13.127 435 HB3 SER 53 HB3 SER 53 11.226 45.743 -13.756 436 HG SER 53 HG SER 53 11.635 43.137 -14.801 437 H PHE 54 H PHE 54 12.856 43.598 -10.412 438 HA PHE 54 HA PHE 54 12.900 46.258 -9.211 439 HB2 PHE 54 HB2 PHE 54 11.384 45.313 -7.338 440 HB3 PHE 54 HB3 PHE 54 10.735 45.973 -8.838 441 HD1 PHE 54 HD1 PHE 54 11.525 42.782 -7.094 442 HD2 PHE 54 HD2 PHE 54 9.440 44.676 -10.342 443 HE1 PHE 54 HE1 PHE 54 10.282 40.670 -7.535 444 HE2 PHE 54 HE2 PHE 54 8.225 42.554 -10.790 445 HZ PHE 54 HZ PHE 54 8.644 40.563 -9.387 446 H GLY 55 H GLY 55 14.837 43.914 -9.657 447 HA2 GLY 55 HA2 GLY 55 16.923 43.695 -8.689 448 HA3 GLY 55 HA3 GLY 55 16.371 44.622 -7.286 449 H ALA 56 H ALA 56 14.070 42.226 -7.731 450 HA ALA 56 HA ALA 56 14.979 40.810 -5.383 451 HB1 ALA 56 HB1 ALA 56 12.710 40.248 -7.324 452 HB2 ALA 56 HB2 ALA 56 12.925 39.484 -5.734 453 HB3 ALA 56 HB3 ALA 56 12.601 41.224 -5.836 454 H THR 57 H THR 57 15.085 38.421 -5.278 455 HA THR 57 HA THR 57 16.602 37.288 -7.607 456 HB THR 57 HB THR 57 16.921 37.139 -4.589 457 HG1 THR 57 HG1 THR 57 18.142 38.656 -5.740 458 HG21 THR 57 HG21 THR 57 18.597 35.345 -4.951 459 HG22 THR 57 HG22 THR 57 16.940 34.808 -5.298 460 HG23 THR 57 HG23 THR 57 18.053 35.200 -6.637 461 HA PRO 58 HA PRO 58 13.179 34.366 -7.263 462 HB2 PRO 58 HB2 PRO 58 13.748 32.771 -9.365 463 HB3 PRO 58 HB3 PRO 58 13.264 34.481 -9.597 464 HG2 PRO 58 HG2 PRO 58 16.069 33.320 -9.556 465 HG3 PRO 58 HG3 PRO 58 15.345 34.437 -10.761 466 HD2 PRO 58 HD2 PRO 58 16.901 35.278 -8.629 467 HD3 PRO 58 HD3 PRO 58 15.602 36.279 -9.335 468 H VAL 59 H VAL 59 12.847 32.149 -6.769 469 HA VAL 59 HA VAL 59 15.200 30.508 -6.069 470 HB VAL 59 HB VAL 59 12.882 30.913 -4.153 471 HG11 VAL 59 HG11 VAL 59 14.394 29.759 -2.573 472 HG12 VAL 59 HG12 VAL 59 13.973 28.742 -3.963 473 HG13 VAL 59 HG13 VAL 59 15.572 29.524 -3.884 474 HG21 VAL 59 HG21 VAL 59 15.676 32.113 -4.065 475 HG22 VAL 59 HG22 VAL 59 14.147 33.004 -4.232 476 HG23 VAL 59 HG23 VAL 59 14.498 32.136 -2.730 477 H GLU 60 H GLU 60 14.851 28.295 -6.234 478 HA GLU 60 HA GLU 60 12.206 27.500 -7.371 479 HB2 GLU 60 HB2 GLU 60 14.997 26.533 -8.034 480 HB3 GLU 60 HB3 GLU 60 13.519 25.738 -8.595 481 HG2 GLU 60 HG2 GLU 60 12.805 27.733 -9.786 482 HG3 GLU 60 HG3 GLU 60 14.143 28.674 -9.121 483 H ILE 61 H ILE 61 11.468 25.365 -6.934 484 HA ILE 61 HA ILE 61 12.745 24.004 -4.629 485 HB ILE 61 HB ILE 61 9.785 24.629 -4.828 486 HG12 ILE 61 HG12 ILE 61 11.898 25.890 -3.037 487 HG13 ILE 61 HG13 ILE 61 11.064 26.677 -4.395 488 HG21 ILE 61 HG21 ILE 61 11.401 23.374 -2.576 489 HG22 ILE 61 HG22 ILE 61 9.650 23.714 -2.558 490 HG23 ILE 61 HG23 ILE 61 10.295 22.515 -3.672 491 HD11 ILE 61 HD11 ILE 61 8.896 26.369 -3.253 492 HD12 ILE 61 HD12 ILE 61 9.751 25.703 -1.833 493 HD13 ILE 61 HD13 ILE 61 10.035 27.380 -2.330 494 H VAL 62 H VAL 62 12.399 21.768 -4.599 495 HA VAL 62 HA VAL 62 10.829 20.583 -6.829 496 HB VAL 62 HB VAL 62 13.685 19.839 -6.101 497 HG11 VAL 62 HG11 VAL 62 13.498 18.301 -8.040 498 HG12 VAL 62 HG12 VAL 62 12.373 17.863 -6.743 499 HG13 VAL 62 HG13 VAL 62 11.770 18.712 -8.183 500 HG21 VAL 62 HG21 VAL 62 13.587 21.912 -7.423 501 HG22 VAL 62 HG22 VAL 62 14.228 20.570 -8.393 502 HG23 VAL 62 HG23 VAL 62 12.549 21.103 -8.624 503 H ALA 63 H ALA 63 9.866 18.627 -6.352 504 HA ALA 63 HA ALA 63 10.494 17.213 -3.872 505 HB1 ALA 63 HB1 ALA 63 7.796 18.562 -4.233 506 HB2 ALA 63 HB2 ALA 63 8.302 17.556 -2.850 507 HB3 ALA 63 HB3 ALA 63 9.063 19.140 -3.130 508 H GLN 64 H GLN 64 8.971 15.323 -3.581 509 HA GLN 64 HA GLN 64 8.600 13.951 -6.091 510 HB2 GLN 64 HB2 GLN 64 9.256 12.808 -3.999 511 HB3 GLN 64 HB3 GLN 64 7.746 13.326 -3.232 512 HG2 GLN 64 HG2 GLN 64 7.567 11.000 -3.903 513 HG3 GLN 64 HG3 GLN 64 6.438 11.978 -4.844 514 HE21 GLN 64 HE21 GLN 64 6.485 10.024 -6.269 515 HE22 GLN 64 HE22 GLN 64 7.746 9.920 -7.483 516 H ASN 65 H ASN 65 6.546 15.903 -4.000 517 HA ASN 65 HA ASN 65 4.376 15.834 -5.924 518 HB2 ASN 65 HB2 ASN 65 2.707 14.999 -4.226 519 HB3 ASN 65 HB3 ASN 65 3.817 13.789 -4.859 520 HD21 ASN 65 HD21 ASN 65 2.494 15.058 -2.036 521 HD22 ASN 65 HD22 ASN 65 3.641 14.393 -0.884 522 H LYS 66 H LYS 66 2.557 17.292 -5.232 523 HA LYS 66 HA LYS 66 3.782 19.756 -4.374 524 HB2 LYS 66 HB2 LYS 66 0.913 19.048 -5.092 525 HB3 LYS 66 HB3 LYS 66 1.500 20.693 -4.762 526 HG2 LYS 66 HG2 LYS 66 3.215 20.412 -6.564 527 HG3 LYS 66 HG3 LYS 66 2.492 18.844 -6.969 528 HD2 LYS 66 HD2 LYS 66 1.064 21.540 -7.025 529 HD3 LYS 66 HD3 LYS 66 1.695 20.697 -8.445 530 HE2 LYS 66 HE2 LYS 66 -0.438 19.609 -6.563 531 HE3 LYS 66 HE3 LYS 66 -0.753 20.372 -8.130 532 HZ1 LYS 66 HZ1 LYS 66 0.809 17.903 -7.711 533 HZ2 LYS 66 HZ2 LYS 66 -0.711 17.988 -8.321 534 HZ3 LYS 66 HZ3 LYS 66 0.547 18.620 -9.164 535 H GLU 67 H GLU 67 1.991 17.310 -2.621 536 HA GLU 67 HA GLU 67 0.997 19.050 -0.564 537 HB2 GLU 67 HB2 GLU 67 1.611 16.069 -0.447 538 HB3 GLU 67 HB3 GLU 67 0.723 17.005 0.758 539 HG2 GLU 67 HG2 GLU 67 -0.985 16.067 -0.475 540 HG3 GLU 67 HG3 GLU 67 -0.868 17.690 -1.156 541 H GLN 68 H GLN 68 4.155 18.433 -1.412 542 HA GLN 68 HA GLN 68 5.077 19.165 1.334 543 HB2 GLN 68 HB2 GLN 68 6.424 17.302 -0.657 544 HB3 GLN 68 HB3 GLN 68 7.139 17.861 0.867 545 HG2 GLN 68 HG2 GLN 68 5.412 16.743 2.157 546 HG3 GLN 68 HG3 GLN 68 4.509 16.329 0.686 547 HE21 GLN 68 HE21 GLN 68 8.079 16.084 1.100 548 HE22 GLN 68 HE22 GLN 68 8.123 14.346 0.911 549 H CYS 69 H CYS 69 5.260 19.640 -2.190 550 HA CYS 69 HA CYS 69 7.611 21.295 -2.121 551 HB2 CYS 69 HB2 CYS 69 6.482 20.069 -4.113 552 HB3 CYS 69 HB3 CYS 69 5.347 21.436 -4.151 553 HG CYS 69 HG CYS 69 7.166 21.752 -5.991 554 H GLN 70 H GLN 70 4.079 21.857 -1.835 555 HA GLN 70 HA GLN 70 4.255 24.741 -1.862 556 HB2 GLN 70 HB2 GLN 70 2.144 22.855 -0.751 557 HB3 GLN 70 HB3 GLN 70 1.943 24.600 -0.948 558 HG2 GLN 70 HG2 GLN 70 2.551 22.672 -3.235 559 HG3 GLN 70 HG3 GLN 70 0.927 23.187 -2.779 560 HE21 GLN 70 HE21 GLN 70 1.501 23.671 -5.298 561 HE22 GLN 70 HE22 GLN 70 1.879 25.352 -5.590 562 H GLU 71 H GLU 71 4.475 22.238 0.673 563 HA GLU 71 HA GLU 71 4.246 24.113 2.860 564 HB2 GLU 71 HB2 GLU 71 5.540 21.360 2.743 565 HB3 GLU 71 HB3 GLU 71 5.082 22.230 4.215 566 HG2 GLU 71 HG2 GLU 71 3.166 21.284 2.039 567 HG3 GLU 71 HG3 GLU 71 3.445 20.479 3.585 568 H ALA 72 H ALA 72 6.911 22.908 0.839 569 HA ALA 72 HA ALA 72 8.974 24.097 2.510 570 HB1 ALA 72 HB1 ALA 72 10.445 23.461 0.637 571 HB2 ALA 72 HB2 ALA 72 9.379 22.117 1.106 572 HB3 ALA 72 HB3 ALA 72 9.018 23.068 -0.354 573 H ARG 73 H ARG 73 6.827 25.232 -0.039 574 HA ARG 73 HA ARG 73 8.474 27.564 -0.711 575 HB2 ARG 73 HB2 ARG 73 6.893 26.509 -2.340 576 HB3 ARG 73 HB3 ARG 73 5.548 26.918 -1.256 577 HG2 ARG 73 HG2 ARG 73 6.384 29.372 -1.447 578 HG3 ARG 73 HG3 ARG 73 7.342 28.792 -2.827 579 HD2 ARG 73 HD2 ARG 73 5.220 27.926 -3.855 580 HD3 ARG 73 HD3 ARG 73 4.327 28.560 -2.465 581 HE ARG 73 HE ARG 73 5.524 30.103 -4.676 582 HH11 ARG 73 HH11 ARG 73 4.046 30.126 -1.490 583 HH12 ARG 73 HH12 ARG 73 3.534 31.797 -1.582 584 HH21 ARG 73 HH21 ARG 73 4.858 32.300 -4.802 585 HH22 ARG 73 HH22 ARG 73 3.996 33.031 -3.467 586 H ASN 74 H ASN 74 5.453 26.931 1.121 587 HA ASN 74 HA ASN 74 5.126 29.709 1.803 588 HB2 ASN 74 HB2 ASN 74 3.783 27.161 2.772 589 HB3 ASN 74 HB3 ASN 74 3.257 28.796 3.205 590 HD21 ASN 74 HD21 ASN 74 2.086 26.497 1.459 591 HD22 ASN 74 HD22 ASN 74 1.595 27.338 0.005 592 H ALA 75 H ALA 75 7.052 27.166 3.146 593 HA ALA 75 HA ALA 75 7.243 28.315 5.806 594 HB1 ALA 75 HB1 ALA 75 9.013 26.343 4.300 595 HB2 ALA 75 HB2 ALA 75 9.135 26.723 6.027 596 HB3 ALA 75 HB3 ALA 75 7.672 25.930 5.403 597 H VAL 76 H VAL 76 8.233 29.414 2.801 598 HA VAL 76 HA VAL 76 10.550 30.855 3.963 599 HB VAL 76 HB VAL 76 10.172 30.068 1.057 600 HG11 VAL 76 HG11 VAL 76 12.535 31.241 2.594 601 HG12 VAL 76 HG12 VAL 76 12.624 30.589 0.946 602 HG13 VAL 76 HG13 VAL 76 11.638 32.021 1.268 603 HG21 VAL 76 HG21 VAL 76 10.522 28.067 2.465 604 HG22 VAL 76 HG22 VAL 76 11.965 28.419 1.496 605 HG23 VAL 76 HG23 VAL 76 11.926 28.851 3.223 606 H MET 77 H MET 77 7.371 31.276 3.043 607 HA MET 77 HA MET 77 7.769 33.875 1.757 608 HB2 MET 77 HB2 MET 77 5.288 32.358 2.656 609 HB3 MET 77 HB3 MET 77 5.235 33.932 1.855 610 HG2 MET 77 HG2 MET 77 6.454 31.417 0.649 611 HG3 MET 77 HG3 MET 77 4.837 32.029 0.329 612 HE1 MET 77 HE1 MET 77 8.745 33.340 -1.581 613 HE2 MET 77 HE2 MET 77 8.674 32.937 0.145 614 HE3 MET 77 HE3 MET 77 8.207 31.720 -1.071 615 H SER 78 H SER 78 7.699 32.829 5.016 616 HA SER 78 HA SER 78 7.677 35.622 5.871 617 HB2 SER 78 HB2 SER 78 5.274 35.241 5.748 618 HB3 SER 78 HB3 SER 78 5.433 33.752 6.712 619 HG SER 78 HG SER 78 4.822 35.585 7.961 620 H LEU 79 H LEU 79 7.653 32.153 6.814 621 HA LEU 79 HA LEU 79 8.780 32.769 9.443 622 HB2 LEU 79 HB2 LEU 79 8.522 30.106 7.989 623 HB3 LEU 79 HB3 LEU 79 8.832 30.336 9.708 624 HG LEU 79 HG LEU 79 6.297 31.153 8.215 625 HD11 LEU 79 HD11 LEU 79 6.851 28.973 10.273 626 HD12 LEU 79 HD12 LEU 79 5.266 29.355 9.556 627 HD13 LEU 79 HD13 LEU 79 6.569 28.715 8.537 628 HD21 LEU 79 HD21 LEU 79 6.752 32.702 10.083 629 HD22 LEU 79 HD22 LEU 79 5.402 31.629 10.485 630 HD23 LEU 79 HD23 LEU 79 7.012 31.323 11.176 631 H MET 80 H MET 80 9.901 31.388 6.374 632 HA MET 80 HA MET 80 11.881 31.004 5.444 633 HB2 MET 80 HB2 MET 80 12.807 33.374 7.106 634 HB3 MET 80 HB3 MET 80 13.560 32.733 5.633 635 HG2 MET 80 HG2 MET 80 11.267 33.089 4.507 636 HG3 MET 80 HG3 MET 80 10.832 34.038 5.931 637 HE1 MET 80 HE1 MET 80 14.014 33.539 3.694 638 HE2 MET 80 HE2 MET 80 12.657 33.808 2.577 639 HE3 MET 80 HE3 MET 80 13.961 35.006 2.689 640 H GLN 81 H GLN 81 11.571 30.250 8.662 641 HA GLN 81 HA GLN 81 12.815 29.085 10.150 642 HB2 GLN 81 HB2 GLN 81 13.835 27.783 7.599 643 HB3 GLN 81 HB3 GLN 81 13.958 27.098 9.227 644 HG2 GLN 81 HG2 GLN 81 11.366 27.766 7.773 645 HG3 GLN 81 HG3 GLN 81 12.041 26.151 7.981 646 HE21 GLN 81 HE21 GLN 81 9.439 26.915 8.828 647 HE22 GLN 81 HE22 GLN 81 9.385 26.796 10.578 648 H SER 82 H SER 82 14.001 31.621 9.384 649 HA SER 82 HA SER 82 16.809 31.331 8.977 650 HB2 SER 82 HB2 SER 82 16.876 33.739 9.449 651 HB3 SER 82 HB3 SER 82 15.536 33.337 8.362 652 HG SER 82 HG SER 82 15.406 33.835 11.158 653 H HIS 83 H HIS 83 15.117 30.371 11.633 654 HA HIS 83 HA HIS 83 17.474 30.661 13.404 655 HB2 HIS 83 HB2 HIS 83 14.607 31.264 14.220 656 HB3 HIS 83 HB3 HIS 83 16.005 31.225 15.300 657 HD1 HIS 83 HD1 HIS 83 18.061 33.091 14.259 658 HD2 HIS 83 HD2 HIS 83 13.947 33.660 13.566 659 HE1 HIS 83 HE1 HIS 83 17.755 35.585 13.700 660 HE2 HIS 83 HE2 HIS 83 15.248 35.918 13.274 661 H GLN 84 H GLN 84 17.358 29.109 15.235 662 HA GLN 84 HA GLN 84 17.321 26.954 15.903 663 HB2 GLN 84 HB2 GLN 84 14.425 27.089 14.998 664 HB3 GLN 84 HB3 GLN 84 15.127 25.861 16.070 665 HG2 GLN 84 HG2 GLN 84 15.712 27.575 17.719 666 HG3 GLN 84 HG3 GLN 84 15.109 28.858 16.649 667 HE21 GLN 84 HE21 GLN 84 13.418 25.744 16.923 668 HE22 GLN 84 HE22 GLN 84 12.039 26.368 17.804 669 H ASP 85 H ASP 85 18.239 27.440 13.190 670 HA ASP 85 HA ASP 85 17.256 25.337 11.519 671 HB2 ASP 85 HB2 ASP 85 19.257 25.924 10.078 672 HB3 ASP 85 HB3 ASP 85 18.039 27.166 10.363 673 H LYS 86 H LYS 86 18.964 24.961 14.243 674 HA LYS 86 HA LYS 86 19.914 22.307 13.442 675 HB2 LYS 86 HB2 LYS 86 21.848 23.682 12.873 676 HB3 LYS 86 HB3 LYS 86 21.783 24.481 14.448 677 HG2 LYS 86 HG2 LYS 86 23.555 22.795 14.425 678 HG3 LYS 86 HG3 LYS 86 22.300 22.324 15.575 679 HD2 LYS 86 HD2 LYS 86 21.346 20.759 13.911 680 HD3 LYS 86 HD3 LYS 86 22.564 21.279 12.719 681 HE2 LYS 86 HE2 LYS 86 24.364 20.508 14.244 682 HE3 LYS 86 HE3 LYS 86 23.147 19.972 15.411 683 HZ1 LYS 86 HZ1 LYS 86 23.461 18.932 12.671 684 HZ2 LYS 86 HZ2 LYS 86 23.906 18.166 14.053 685 HZ3 LYS 86 HZ3 LYS 86 22.312 18.452 13.747 Start of MODEL 14 1 H1 SER 1 H SER 1 6.490 -2.762 -7.842 2 HA SER 1 HA SER 1 8.028 -1.087 -7.132 3 HB2 SER 1 HB2 SER 1 10.355 -1.186 -7.890 4 HB3 SER 1 HB3 SER 1 9.974 -2.598 -6.888 5 HG SER 1 HG SER 1 11.087 -3.139 -8.818 6 H GLY 2 H GLY 2 9.005 0.574 -8.706 7 HA2 GLY 2 HA2 GLY 2 9.015 1.700 -10.709 8 HA3 GLY 2 HA3 GLY 2 8.449 0.239 -11.532 9 H SER 3 H SER 3 6.456 1.038 -8.857 10 HA SER 3 HA SER 3 4.199 1.583 -10.526 11 HB2 SER 3 HB2 SER 3 3.958 0.508 -8.364 12 HB3 SER 3 HB3 SER 3 4.624 1.935 -7.538 13 HG SER 3 HG SER 3 2.300 1.798 -7.586 14 H HIS 4 H HIS 4 2.818 3.493 -10.362 15 HA HIS 4 HA HIS 4 4.160 5.834 -11.211 16 HB2 HIS 4 HB2 HIS 4 1.960 6.824 -11.261 17 HB3 HIS 4 HB3 HIS 4 1.839 5.160 -11.825 18 HD1 HIS 4 HD1 HIS 4 1.251 3.478 -9.341 19 HD2 HIS 4 HD2 HIS 4 -0.090 7.445 -9.847 20 HE1 HIS 4 HE1 HIS 4 -0.770 3.765 -7.794 21 HE2 HIS 4 HE2 HIS 4 -1.573 6.184 -8.096 22 H MET 5 H MET 5 3.644 4.690 -8.005 23 HA MET 5 HA MET 5 3.574 7.352 -6.786 24 HB2 MET 5 HB2 MET 5 3.846 4.570 -5.579 25 HB3 MET 5 HB3 MET 5 3.623 6.079 -4.667 26 HG2 MET 5 HG2 MET 5 1.500 6.487 -5.892 27 HG3 MET 5 HG3 MET 5 1.682 4.929 -6.710 28 HE1 MET 5 HE1 MET 5 2.800 3.037 -4.422 29 HE2 MET 5 HE2 MET 5 1.279 2.345 -3.809 30 HE3 MET 5 HE3 MET 5 1.502 2.586 -5.556 31 H LYS 6 H LYS 6 6.021 5.601 -8.235 32 HA LYS 6 HA LYS 6 8.061 6.888 -6.514 33 HB2 LYS 6 HB2 LYS 6 8.142 4.003 -7.475 34 HB3 LYS 6 HB3 LYS 6 9.459 4.860 -6.648 35 HG2 LYS 6 HG2 LYS 6 7.970 5.231 -4.687 36 HG3 LYS 6 HG3 LYS 6 6.701 4.283 -5.502 37 HD2 LYS 6 HD2 LYS 6 8.191 2.325 -5.575 38 HD3 LYS 6 HD3 LYS 6 9.480 3.261 -4.785 39 HE2 LYS 6 HE2 LYS 6 7.995 3.624 -2.823 40 HE3 LYS 6 HE3 LYS 6 6.733 2.661 -3.604 41 HZ1 LYS 6 HZ1 LYS 6 9.408 1.694 -2.843 42 HZ2 LYS 6 HZ2 LYS 6 8.004 1.355 -2.059 43 HZ3 LYS 6 HZ3 LYS 6 8.249 0.791 -3.582 44 H THR 7 H THR 7 6.806 7.306 -9.323 45 HA THR 7 HA THR 7 8.841 6.829 -11.186 46 HB THR 7 HB THR 7 7.046 9.171 -11.566 47 HG1 THR 7 HG1 THR 7 5.390 7.757 -12.045 48 HG21 THR 7 HG21 THR 7 7.966 6.839 -13.294 49 HG22 THR 7 HG22 THR 7 6.877 8.144 -13.829 50 HG23 THR 7 HG23 THR 7 8.552 8.521 -13.396 51 H CYS 8 H CYS 8 10.285 8.201 -12.321 52 HA CYS 8 HA CYS 8 11.923 9.740 -10.540 53 HB2 CYS 8 HB2 CYS 8 13.276 10.145 -12.602 54 HB3 CYS 8 HB3 CYS 8 12.903 8.430 -12.311 55 HG CYS 8 HG CYS 8 11.475 10.598 -14.346 56 H VAL 9 H VAL 9 9.080 10.618 -12.135 57 HA VAL 9 HA VAL 9 9.741 13.321 -12.868 58 HB VAL 9 HB VAL 9 7.067 12.053 -12.183 59 HG11 VAL 9 HG11 VAL 9 6.940 14.502 -12.108 60 HG12 VAL 9 HG12 VAL 9 7.748 14.610 -13.693 61 HG13 VAL 9 HG13 VAL 9 6.132 13.893 -13.572 62 HG21 VAL 9 HG21 VAL 9 8.216 10.904 -14.046 63 HG22 VAL 9 HG22 VAL 9 6.817 11.829 -14.626 64 HG23 VAL 9 HG23 VAL 9 8.463 12.458 -14.865 65 H VAL 10 H VAL 10 9.376 15.252 -11.755 66 HA VAL 10 HA VAL 10 8.662 15.076 -8.883 67 HB VAL 10 HB VAL 10 10.577 16.500 -8.278 68 HG11 VAL 10 HG11 VAL 10 11.463 13.950 -9.693 69 HG12 VAL 10 HG12 VAL 10 12.327 14.806 -8.402 70 HG13 VAL 10 HG13 VAL 10 10.761 14.034 -8.061 71 HG21 VAL 10 HG21 VAL 10 11.533 16.009 -11.132 72 HG22 VAL 10 HG22 VAL 10 11.006 17.569 -10.467 73 HG23 VAL 10 HG23 VAL 10 12.465 16.786 -9.834 74 H GLU 11 H GLU 11 7.976 17.042 -7.984 75 HA GLU 11 HA GLU 11 6.690 18.842 -9.905 76 HB2 GLU 11 HB2 GLU 11 6.605 18.505 -6.889 77 HB3 GLU 11 HB3 GLU 11 5.713 19.779 -7.729 78 HG2 GLU 11 HG2 GLU 11 5.436 16.785 -8.283 79 HG3 GLU 11 HG3 GLU 11 4.342 17.743 -7.277 80 H LYS 12 H LYS 12 6.759 21.180 -9.616 81 HA LYS 12 HA LYS 12 9.212 22.238 -8.370 82 HB2 LYS 12 HB2 LYS 12 8.602 22.261 -11.323 83 HB3 LYS 12 HB3 LYS 12 9.456 23.624 -10.583 84 HG2 LYS 12 HG2 LYS 12 11.147 22.116 -9.652 85 HG3 LYS 12 HG3 LYS 12 10.354 20.720 -10.422 86 HD2 LYS 12 HD2 LYS 12 10.791 21.650 -12.637 87 HD3 LYS 12 HD3 LYS 12 11.415 23.154 -11.921 88 HE2 LYS 12 HE2 LYS 12 13.244 21.902 -10.846 89 HE3 LYS 12 HE3 LYS 12 12.626 20.390 -11.528 90 HZ1 LYS 12 HZ1 LYS 12 14.402 21.281 -12.844 91 HZ2 LYS 12 HZ2 LYS 12 13.012 21.297 -13.718 92 HZ3 LYS 12 HZ3 LYS 12 13.590 22.698 -13.075 93 H ILE 13 H ILE 13 9.239 24.383 -7.934 94 HA ILE 13 HA ILE 13 6.881 26.059 -8.522 95 HB ILE 13 HB ILE 13 7.917 25.393 -5.743 96 HG12 ILE 13 HG12 ILE 13 5.153 25.256 -7.019 97 HG13 ILE 13 HG13 ILE 13 6.200 23.881 -6.614 98 HG21 ILE 13 HG21 ILE 13 7.699 27.836 -5.922 99 HG22 ILE 13 HG22 ILE 13 6.052 27.655 -6.575 100 HG23 ILE 13 HG23 ILE 13 6.426 27.176 -4.899 101 HD11 ILE 13 HD11 ILE 13 4.846 25.792 -4.668 102 HD12 ILE 13 HD12 ILE 13 4.579 24.052 -4.866 103 HD13 ILE 13 HD13 ILE 13 6.114 24.639 -4.191 104 H LYS 14 H LYS 14 7.428 28.290 -8.535 105 HA LYS 14 HA LYS 14 10.204 29.017 -7.864 106 HB2 LYS 14 HB2 LYS 14 10.304 28.291 -10.176 107 HB3 LYS 14 HB3 LYS 14 8.988 29.370 -10.627 108 HG2 LYS 14 HG2 LYS 14 11.566 30.407 -9.390 109 HG3 LYS 14 HG3 LYS 14 11.440 30.067 -11.114 110 HD2 LYS 14 HD2 LYS 14 9.780 32.115 -9.583 111 HD3 LYS 14 HD3 LYS 14 11.078 32.433 -10.730 112 HE2 LYS 14 HE2 LYS 14 8.431 31.083 -11.386 113 HE3 LYS 14 HE3 LYS 14 8.865 32.755 -11.752 114 HZ1 LYS 14 HZ1 LYS 14 9.205 31.342 -13.645 115 HZ2 LYS 14 HZ2 LYS 14 10.653 31.925 -13.133 116 HZ3 LYS 14 HZ3 LYS 14 10.236 30.370 -12.809 117 H GLN 15 H GLN 15 10.298 30.970 -6.917 118 HA GLN 15 HA GLN 15 8.304 33.018 -7.499 119 HB2 GLN 15 HB2 GLN 15 7.082 31.705 -5.869 120 HB3 GLN 15 HB3 GLN 15 8.478 31.679 -4.781 121 HG2 GLN 15 HG2 GLN 15 6.786 33.344 -4.047 122 HG3 GLN 15 HG3 GLN 15 8.323 34.099 -4.444 123 HE21 GLN 15 HE21 GLN 15 7.514 36.154 -4.959 124 HE22 GLN 15 HE22 GLN 15 6.488 36.441 -6.346 125 H TRP 16 H TRP 16 8.898 35.084 -6.789 126 HA TRP 16 HA TRP 16 11.788 35.406 -6.370 127 HB2 TRP 16 HB2 TRP 16 9.584 37.443 -6.854 128 HB3 TRP 16 HB3 TRP 16 11.321 37.735 -6.923 129 HD1 TRP 16 HD1 TRP 16 8.557 35.865 -8.827 130 HE1 TRP 16 HE1 TRP 16 9.254 35.532 -11.253 131 HE3 TRP 16 HE3 TRP 16 13.303 37.759 -8.566 132 HZ2 TRP 16 HZ2 TRP 16 11.582 36.026 -12.894 133 HZ3 TRP 16 HZ3 TRP 16 14.726 37.830 -10.587 134 HH2 TRP 16 HH2 TRP 16 13.887 36.965 -12.748 135 H ILE 17 H ILE 17 12.718 36.540 -4.698 136 HA ILE 17 HA ILE 17 10.963 37.701 -2.612 137 HB ILE 17 HB ILE 17 12.266 36.859 -0.826 138 HG12 ILE 17 HG12 ILE 17 14.209 35.747 -2.872 139 HG13 ILE 17 HG13 ILE 17 14.491 37.089 -1.750 140 HG21 ILE 17 HG21 ILE 17 10.614 35.261 -1.769 141 HG22 ILE 17 HG22 ILE 17 11.935 34.480 -2.679 142 HG23 ILE 17 HG23 ILE 17 11.942 34.485 -0.897 143 HD11 ILE 17 HD11 ILE 17 14.033 34.174 -0.996 144 HD12 ILE 17 HD12 ILE 17 15.545 35.086 -0.880 145 HD13 ILE 17 HD13 ILE 17 14.173 35.513 0.170 146 HA PRO 18 HA PRO 18 13.569 41.127 -3.591 147 HB2 PRO 18 HB2 PRO 18 13.518 42.579 -1.250 148 HB3 PRO 18 HB3 PRO 18 12.131 42.470 -2.384 149 HG2 PRO 18 HG2 PRO 18 12.611 40.847 0.126 150 HG3 PRO 18 HG3 PRO 18 11.115 41.699 -0.373 151 HD2 PRO 18 HD2 PRO 18 11.433 39.040 -0.819 152 HD3 PRO 18 HD3 PRO 18 10.653 40.078 -2.051 153 H THR 19 H THR 19 15.753 41.718 -3.422 154 HA THR 19 HA THR 19 17.385 39.751 -2.251 155 HB THR 19 HB THR 19 18.590 42.337 -3.118 156 HG1 THR 19 HG1 THR 19 17.115 41.968 -4.692 157 HG21 THR 19 HG21 THR 19 20.068 40.518 -2.348 158 HG22 THR 19 HG22 THR 19 19.289 39.392 -3.488 159 HG23 THR 19 HG23 THR 19 20.240 40.766 -4.098 160 H THR 20 H THR 20 15.929 42.310 -0.675 161 HA THR 20 HA THR 20 17.975 42.761 1.283 162 HB THR 20 HB THR 20 16.111 44.352 0.617 163 HG1 THR 20 HG1 THR 20 16.103 45.170 2.726 164 HG21 THR 20 HG21 THR 20 14.035 44.206 1.892 165 HG22 THR 20 HG22 THR 20 14.233 42.706 0.955 166 HG23 THR 20 HG23 THR 20 14.575 42.718 2.697 167 H GLU 21 H GLU 21 16.054 40.034 0.807 168 HA GLU 21 HA GLU 21 16.643 39.224 3.591 169 HB2 GLU 21 HB2 GLU 21 14.498 38.136 3.833 170 HB3 GLU 21 HB3 GLU 21 14.296 39.878 3.540 171 HG2 GLU 21 HG2 GLU 21 13.724 39.394 1.189 172 HG3 GLU 21 HG3 GLU 21 13.951 37.653 1.492 173 H VAL 22 H VAL 22 17.431 38.621 0.483 174 HA VAL 22 HA VAL 22 17.283 35.747 0.366 175 HB VAL 22 HB VAL 22 19.235 37.806 -0.762 176 HG11 VAL 22 HG11 VAL 22 19.060 34.823 -1.329 177 HG12 VAL 22 HG12 VAL 22 19.981 35.997 -2.298 178 HG13 VAL 22 HG13 VAL 22 20.446 35.691 -0.618 179 HG21 VAL 22 HG21 VAL 22 16.862 37.808 -1.609 180 HG22 VAL 22 HG22 VAL 22 18.055 37.380 -2.860 181 HG23 VAL 22 HG23 VAL 22 17.075 36.108 -2.091 182 H GLY 23 H GLY 23 19.151 38.044 2.236 183 HA2 GLY 23 HA2 GLY 23 21.346 36.341 2.946 184 HA3 GLY 23 HA3 GLY 23 20.817 37.815 3.786 185 H LYS 24 H LYS 24 18.005 36.218 3.870 186 HA LYS 24 HA LYS 24 18.495 35.037 6.504 187 HB2 LYS 24 HB2 LYS 24 16.026 35.043 4.721 188 HB3 LYS 24 HB3 LYS 24 16.076 34.524 6.415 189 HG2 LYS 24 HG2 LYS 24 16.719 36.807 7.114 190 HG3 LYS 24 HG3 LYS 24 16.688 37.340 5.415 191 HD2 LYS 24 HD2 LYS 24 14.296 36.603 5.276 192 HD3 LYS 24 HD3 LYS 24 14.332 36.238 7.012 193 HE2 LYS 24 HE2 LYS 24 14.770 38.567 7.550 194 HE3 LYS 24 HE3 LYS 24 15.010 38.964 5.839 195 HZ1 LYS 24 HZ1 LYS 24 12.477 38.033 7.013 196 HZ2 LYS 24 HZ2 LYS 24 12.820 39.588 6.616 197 HZ3 LYS 24 HZ3 LYS 24 12.712 38.445 5.440 198 H ILE 25 H ILE 25 18.204 33.957 3.156 199 HA ILE 25 HA ILE 25 17.920 31.134 3.964 200 HB ILE 25 HB ILE 25 18.162 32.388 1.206 201 HG12 ILE 25 HG12 ILE 25 15.662 31.678 2.792 202 HG13 ILE 25 HG13 ILE 25 16.204 33.313 2.366 203 HG21 ILE 25 HG21 ILE 25 18.692 29.970 1.308 204 HG22 ILE 25 HG22 ILE 25 17.138 29.666 2.109 205 HG23 ILE 25 HG23 ILE 25 17.188 30.257 0.428 206 HD11 ILE 25 HD11 ILE 25 16.038 32.701 -0.052 207 HD12 ILE 25 HD12 ILE 25 15.304 31.150 0.427 208 HD13 ILE 25 HD13 ILE 25 14.485 32.668 0.816 209 H LEU 26 H LEU 26 20.328 33.390 2.674 210 HA LEU 26 HA LEU 26 22.302 31.174 2.480 211 HB2 LEU 26 HB2 LEU 26 22.261 33.773 0.913 212 HB3 LEU 26 HB3 LEU 26 23.352 32.404 0.673 213 HG LEU 26 HG LEU 26 20.333 32.361 0.219 214 HD11 LEU 26 HD11 LEU 26 21.022 32.192 -2.160 215 HD12 LEU 26 HD12 LEU 26 21.565 33.716 -1.421 216 HD13 LEU 26 HD13 LEU 26 22.721 32.385 -1.671 217 HD21 LEU 26 HD21 LEU 26 22.499 30.271 -0.289 218 HD22 LEU 26 HD22 LEU 26 21.178 30.138 0.896 219 HD23 LEU 26 HD23 LEU 26 20.803 30.157 -0.829 220 H GLY 27 H GLY 27 21.607 32.968 4.831 221 HA2 GLY 27 HA2 GLY 27 23.724 34.907 5.119 222 HA3 GLY 27 HA3 GLY 27 22.620 34.330 6.383 223 H ASN 28 H ASN 28 24.015 31.629 5.019 224 HA ASN 28 HA ASN 28 26.525 31.593 6.536 225 HB2 ASN 28 HB2 ASN 28 24.545 31.123 8.129 226 HB3 ASN 28 HB3 ASN 28 24.282 29.638 7.222 227 HD21 ASN 28 HD21 ASN 28 24.700 29.063 9.705 228 HD22 ASN 28 HD22 ASN 28 26.355 28.611 10.064 229 H ARG 29 H ARG 29 26.607 28.672 6.449 230 HA ARG 29 HA ARG 29 27.095 28.161 3.653 231 HB2 ARG 29 HB2 ARG 29 26.899 26.212 5.991 232 HB3 ARG 29 HB3 ARG 29 27.631 25.883 4.415 233 HG2 ARG 29 HG2 ARG 29 28.620 27.921 6.456 234 HG3 ARG 29 HG3 ARG 29 29.351 26.353 6.088 235 HD2 ARG 29 HD2 ARG 29 29.740 27.110 3.741 236 HD3 ARG 29 HD3 ARG 29 29.060 28.689 4.156 237 HE ARG 29 HE ARG 29 30.940 29.173 5.519 238 HH11 ARG 29 HH11 ARG 29 31.227 26.041 3.901 239 HH12 ARG 29 HH12 ARG 29 32.951 25.931 4.175 240 HH21 ARG 29 HH21 ARG 29 33.183 28.999 5.861 241 HH22 ARG 29 HH22 ARG 29 34.052 27.607 5.262 242 H ALA 30 H ALA 30 24.444 29.080 4.016 243 HA ALA 30 HA ALA 30 22.296 28.687 3.595 244 HB1 ALA 30 HB1 ALA 30 21.775 27.182 1.755 245 HB2 ALA 30 HB2 ALA 30 23.255 28.114 1.425 246 HB3 ALA 30 HB3 ALA 30 23.371 26.405 1.911 247 H ALA 31 H ALA 31 23.468 27.329 5.997 248 HA ALA 31 HA ALA 31 22.311 24.764 6.342 249 HB1 ALA 31 HB1 ALA 31 22.930 26.954 8.369 250 HB2 ALA 31 HB2 ALA 31 22.679 25.235 8.744 251 HB3 ALA 31 HB3 ALA 31 24.085 25.733 7.780 252 H VAL 32 H VAL 32 20.907 27.995 6.453 253 HA VAL 32 HA VAL 32 18.532 27.232 7.914 254 HB VAL 32 HB VAL 32 19.064 29.563 6.029 255 HG11 VAL 32 HG11 VAL 32 17.155 30.625 7.188 256 HG12 VAL 32 HG12 VAL 32 16.637 29.138 6.370 257 HG13 VAL 32 HG13 VAL 32 16.903 29.143 8.129 258 HG21 VAL 32 HG21 VAL 32 20.601 29.544 7.960 259 HG22 VAL 32 HG22 VAL 32 19.408 30.842 8.120 260 HG23 VAL 32 HG23 VAL 32 19.216 29.346 9.065 261 H LYS 33 H LYS 33 19.491 27.387 4.475 262 HA LYS 33 HA LYS 33 16.859 26.806 3.445 263 HB2 LYS 33 HB2 LYS 33 18.727 27.914 2.176 264 HB3 LYS 33 HB3 LYS 33 19.604 26.378 2.190 265 HG2 LYS 33 HG2 LYS 33 17.752 25.298 0.934 266 HG3 LYS 33 HG3 LYS 33 16.837 26.816 0.987 267 HD2 LYS 33 HD2 LYS 33 17.915 26.668 -1.181 268 HD3 LYS 33 HD3 LYS 33 18.694 27.952 -0.245 269 HE2 LYS 33 HE2 LYS 33 20.412 26.670 -1.355 270 HE3 LYS 33 HE3 LYS 33 20.509 26.333 0.376 271 HZ1 LYS 33 HZ1 LYS 33 20.650 24.317 -0.913 272 HZ2 LYS 33 HZ2 LYS 33 19.245 24.284 -0.059 273 HZ3 LYS 33 HZ3 LYS 33 19.221 24.625 -1.657 274 H LYS 34 H LYS 34 19.746 24.903 4.283 275 HA LYS 34 HA LYS 34 18.793 22.380 3.319 276 HB2 LYS 34 HB2 LYS 34 20.894 23.157 5.363 277 HB3 LYS 34 HB3 LYS 34 20.664 21.500 4.770 278 HG2 LYS 34 HG2 LYS 34 21.218 22.133 2.510 279 HG3 LYS 34 HG3 LYS 34 21.171 23.861 2.915 280 HD2 LYS 34 HD2 LYS 34 23.085 23.573 4.446 281 HD3 LYS 34 HD3 LYS 34 23.161 21.844 4.033 282 HE2 LYS 34 HE2 LYS 34 23.618 22.380 1.689 283 HE3 LYS 34 HE3 LYS 34 23.395 24.111 2.008 284 HZ1 LYS 34 HZ1 LYS 34 25.497 22.445 3.210 285 HZ2 LYS 34 HZ2 LYS 34 25.708 23.487 1.953 286 HZ3 LYS 34 HZ3 LYS 34 25.298 24.070 3.426 287 H HIS 35 H HIS 35 18.125 24.170 6.276 288 HA HIS 35 HA HIS 35 17.224 21.868 7.792 289 HB2 HIS 35 HB2 HIS 35 17.911 23.979 8.856 290 HB3 HIS 35 HB3 HIS 35 16.592 24.837 8.048 291 HD1 HIS 35 HD1 HIS 35 17.131 22.163 10.784 292 HD2 HIS 35 HD2 HIS 35 14.176 24.704 9.167 293 HE1 HIS 35 HE1 HIS 35 15.103 22.016 12.353 294 HE2 HIS 35 HE2 HIS 35 13.320 23.583 11.362 295 H ILE 36 H ILE 36 15.698 24.210 5.558 296 HA ILE 36 HA ILE 36 13.016 23.265 6.083 297 HB ILE 36 HB ILE 36 14.215 24.934 3.843 298 HG12 ILE 36 HG12 ILE 36 12.608 25.692 6.325 299 HG13 ILE 36 HG13 ILE 36 14.354 25.873 6.151 300 HG21 ILE 36 HG21 ILE 36 11.282 24.444 4.562 301 HG22 ILE 36 HG22 ILE 36 11.871 25.595 3.344 302 HG23 ILE 36 HG23 ILE 36 12.105 23.864 3.099 303 HD11 ILE 36 HD11 ILE 36 13.334 28.010 5.728 304 HD12 ILE 36 HD12 ILE 36 13.960 27.392 4.188 305 HD13 ILE 36 HD13 ILE 36 12.211 27.312 4.541 306 H GLU 37 H GLU 37 15.662 22.289 3.966 307 HA GLU 37 HA GLU 37 14.074 20.728 2.146 308 HB2 GLU 37 HB2 GLU 37 17.003 20.675 2.924 309 HB3 GLU 37 HB3 GLU 37 16.312 19.668 1.635 310 HG2 GLU 37 HG2 GLU 37 15.541 21.651 0.433 311 HG3 GLU 37 HG3 GLU 37 16.126 22.706 1.721 312 H ARG 38 H ARG 38 15.776 19.948 5.234 313 HA ARG 38 HA ARG 38 14.969 17.140 5.011 314 HB2 ARG 38 HB2 ARG 38 16.103 16.868 7.143 315 HB3 ARG 38 HB3 ARG 38 17.129 17.779 6.022 316 HG2 ARG 38 HG2 ARG 38 16.443 19.893 7.105 317 HG3 ARG 38 HG3 ARG 38 15.427 18.986 8.247 318 HD2 ARG 38 HD2 ARG 38 18.442 18.691 7.919 319 HD3 ARG 38 HD3 ARG 38 17.636 19.594 9.204 320 HE ARG 38 HE ARG 38 16.697 17.506 10.050 321 HH11 ARG 38 HH11 ARG 38 19.313 17.168 7.678 322 HH12 ARG 38 HH12 ARG 38 19.716 15.546 8.200 323 HH21 ARG 38 HH21 ARG 38 17.266 15.401 10.699 324 HH22 ARG 38 HH22 ARG 38 18.578 14.563 9.906 325 H GLN 39 H GLN 39 13.512 20.043 6.051 326 HA GLN 39 HA GLN 39 11.798 18.876 8.100 327 HB2 GLN 39 HB2 GLN 39 12.452 21.222 8.186 328 HB3 GLN 39 HB3 GLN 39 11.814 21.498 6.557 329 HG2 GLN 39 HG2 GLN 39 9.528 21.090 7.324 330 HG3 GLN 39 HG3 GLN 39 10.115 20.687 8.949 331 HE21 GLN 39 HE21 GLN 39 8.208 22.762 8.243 332 HE22 GLN 39 HE22 GLN 39 8.912 24.284 8.752 333 H PHE 40 H PHE 40 11.706 19.350 4.610 334 HA PHE 40 HA PHE 40 9.019 18.126 4.591 335 HB2 PHE 40 HB2 PHE 40 9.891 20.516 2.987 336 HB3 PHE 40 HB3 PHE 40 8.469 19.545 2.604 337 HD1 PHE 40 HD1 PHE 40 9.401 22.478 4.105 338 HD2 PHE 40 HD2 PHE 40 6.975 19.012 4.892 339 HE1 PHE 40 HE1 PHE 40 8.010 23.803 5.659 340 HE2 PHE 40 HE2 PHE 40 5.622 20.321 6.489 341 HZ PHE 40 HZ PHE 40 6.129 22.725 6.879 342 H ASN 41 H ASN 41 11.953 17.277 3.963 343 HA ASN 41 HA ASN 41 13.023 15.884 2.560 344 HB2 ASN 41 HB2 ASN 41 10.225 14.919 1.885 345 HB3 ASN 41 HB3 ASN 41 11.724 14.049 1.552 346 HD21 ASN 41 HD21 ASN 41 9.491 13.123 3.175 347 HD22 ASN 41 HD22 ASN 41 10.111 12.893 4.797 348 H CYS 42 H CYS 42 11.909 18.535 1.493 349 HA CYS 42 HA CYS 42 11.890 18.015 -1.420 350 HB2 CYS 42 HB2 CYS 42 11.208 20.361 -1.549 351 HB3 CYS 42 HB3 CYS 42 10.205 19.508 -0.353 352 HG CYS 42 HG CYS 42 10.805 21.957 0.437 353 H VAL 43 H VAL 43 13.054 20.066 -2.555 354 HA VAL 43 HA VAL 43 15.728 20.562 -1.348 355 HB VAL 43 HB VAL 43 15.137 19.683 -4.201 356 HG11 VAL 43 HG11 VAL 43 17.735 20.658 -2.944 357 HG12 VAL 43 HG12 VAL 43 17.593 19.904 -4.544 358 HG13 VAL 43 HG13 VAL 43 16.819 21.465 -4.242 359 HG21 VAL 43 HG21 VAL 43 15.288 17.815 -2.615 360 HG22 VAL 43 HG22 VAL 43 16.734 17.856 -3.646 361 HG23 VAL 43 HG23 VAL 43 16.818 18.456 -1.973 362 H ILE 44 H ILE 44 16.569 22.653 -1.893 363 HA ILE 44 HA ILE 44 14.697 24.423 -3.374 364 HB ILE 44 HB ILE 44 15.941 25.023 -0.672 365 HG12 ILE 44 HG12 ILE 44 13.043 24.551 -1.474 366 HG13 ILE 44 HG13 ILE 44 14.052 23.445 -0.520 367 HG21 ILE 44 HG21 ILE 44 14.693 27.151 -0.806 368 HG22 ILE 44 HG22 ILE 44 15.807 27.016 -2.160 369 HG23 ILE 44 HG23 ILE 44 14.078 26.698 -2.412 370 HD11 ILE 44 HD11 ILE 44 13.162 26.236 0.310 371 HD12 ILE 44 HD12 ILE 44 12.618 24.687 0.975 372 HD13 ILE 44 HD13 ILE 44 14.304 25.213 1.219 373 H THR 45 H THR 45 15.650 26.044 -4.547 374 HA THR 45 HA THR 45 18.572 26.324 -4.349 375 HB THR 45 HB THR 45 17.389 26.065 -7.075 376 HG1 THR 45 HG1 THR 45 16.900 24.153 -6.058 377 HG21 THR 45 HG21 THR 45 20.161 25.654 -5.882 378 HG22 THR 45 HG22 THR 45 19.725 25.425 -7.595 379 HG23 THR 45 HG23 THR 45 19.630 27.040 -6.864 380 H VAL 46 H VAL 46 19.166 28.323 -4.075 381 HA VAL 46 HA VAL 46 17.423 30.483 -5.019 382 HB VAL 46 HB VAL 46 20.039 30.724 -3.503 383 HG11 VAL 46 HG11 VAL 46 19.037 32.911 -2.838 384 HG12 VAL 46 HG12 VAL 46 19.294 32.810 -4.590 385 HG13 VAL 46 HG13 VAL 46 17.661 32.598 -3.922 386 HG21 VAL 46 HG21 VAL 46 18.619 30.983 -1.498 387 HG22 VAL 46 HG22 VAL 46 17.181 30.570 -2.460 388 HG23 VAL 46 HG23 VAL 46 18.457 29.360 -2.199 389 H HIS 47 H HIS 47 18.136 32.198 -6.399 390 HA HIS 47 HA HIS 47 20.392 31.474 -8.199 391 HB2 HIS 47 HB2 HIS 47 17.494 32.026 -8.879 392 HB3 HIS 47 HB3 HIS 47 18.792 32.220 -10.070 393 HD1 HIS 47 HD1 HIS 47 20.311 29.908 -10.484 394 HD2 HIS 47 HD2 HIS 47 16.538 29.585 -8.652 395 HE1 HIS 47 HE1 HIS 47 19.588 27.445 -10.728 396 HE2 HIS 47 HE2 HIS 47 17.263 27.275 -9.638 397 H THR 48 H THR 48 21.134 33.199 -6.472 398 HA THR 48 HA THR 48 20.287 35.857 -6.842 399 HB THR 48 HB THR 48 21.851 36.526 -5.337 400 HG1 THR 48 HG1 THR 48 23.828 35.490 -5.069 401 HG21 THR 48 HG21 THR 48 21.698 33.531 -4.773 402 HG22 THR 48 HG22 THR 48 22.061 34.815 -3.601 403 HG23 THR 48 HG23 THR 48 20.447 34.722 -4.337 404 H GLU 49 H GLU 49 22.147 34.026 -9.013 405 HA GLU 49 HA GLU 49 23.663 36.228 -10.119 406 HB2 GLU 49 HB2 GLU 49 24.124 34.739 -11.950 407 HB3 GLU 49 HB3 GLU 49 24.319 33.857 -10.438 408 HG2 GLU 49 HG2 GLU 49 21.760 33.727 -12.090 409 HG3 GLU 49 HG3 GLU 49 23.144 32.683 -12.397 410 H VAL 50 H VAL 50 20.344 35.431 -10.110 411 HA VAL 50 HA VAL 50 19.778 36.938 -12.586 412 HB VAL 50 HB VAL 50 17.858 35.553 -10.695 413 HG11 VAL 50 HG11 VAL 50 17.566 36.593 -13.542 414 HG12 VAL 50 HG12 VAL 50 16.362 35.596 -12.695 415 HG13 VAL 50 HG13 VAL 50 16.746 37.217 -12.090 416 HG21 VAL 50 HG21 VAL 50 19.114 34.533 -13.268 417 HG22 VAL 50 HG22 VAL 50 19.422 33.903 -11.633 418 HG23 VAL 50 HG23 VAL 50 17.812 33.727 -12.358 419 H GLN 51 H GLN 51 18.390 38.795 -12.568 420 HA GLN 51 HA GLN 51 17.716 39.966 -9.958 421 HB2 GLN 51 HB2 GLN 51 19.959 40.810 -10.298 422 HB3 GLN 51 HB3 GLN 51 19.569 41.312 -11.956 423 HG2 GLN 51 HG2 GLN 51 17.970 42.958 -11.137 424 HG3 GLN 51 HG3 GLN 51 18.167 42.387 -9.472 425 HE21 GLN 51 HE21 GLN 51 18.532 44.937 -9.515 426 HE22 GLN 51 HE22 GLN 51 20.217 45.409 -9.581 427 H SER 52 H SER 52 15.698 40.630 -10.075 428 HA SER 52 HA SER 52 14.320 40.886 -12.626 429 HB2 SER 52 HB2 SER 52 12.354 41.216 -11.245 430 HB3 SER 52 HB3 SER 52 13.322 39.903 -10.536 431 HG SER 52 HG SER 52 12.579 41.517 -9.036 432 H SER 53 H SER 53 12.760 42.822 -12.848 433 HA SER 53 HA SER 53 14.297 45.282 -12.914 434 HB2 SER 53 HB2 SER 53 12.256 46.203 -13.932 435 HB3 SER 53 HB3 SER 53 12.714 44.664 -14.695 436 HG SER 53 HG SER 53 10.476 44.775 -14.182 437 H PHE 54 H PHE 54 12.993 43.741 -10.356 438 HA PHE 54 HA PHE 54 12.298 46.258 -9.029 439 HB2 PHE 54 HB2 PHE 54 10.585 44.926 -7.668 440 HB3 PHE 54 HB3 PHE 54 10.210 45.579 -9.258 441 HD1 PHE 54 HD1 PHE 54 11.138 42.440 -7.484 442 HD2 PHE 54 HD2 PHE 54 9.574 44.206 -11.078 443 HE1 PHE 54 HE1 PHE 54 10.435 40.194 -8.285 444 HE2 PHE 54 HE2 PHE 54 8.879 41.963 -11.877 445 HZ PHE 54 HZ PHE 54 9.304 39.959 -10.473 446 H GLY 55 H GLY 55 14.718 44.315 -9.016 447 HA2 GLY 55 HA2 GLY 55 16.444 44.279 -7.486 448 HA3 GLY 55 HA3 GLY 55 15.417 45.118 -6.312 449 H ALA 56 H ALA 56 14.472 42.067 -7.887 450 HA ALA 56 HA ALA 56 14.772 40.726 -5.243 451 HB1 ALA 56 HB1 ALA 56 12.651 40.288 -7.370 452 HB2 ALA 56 HB2 ALA 56 12.767 39.447 -5.810 453 HB3 ALA 56 HB3 ALA 56 12.432 41.186 -5.847 454 H THR 57 H THR 57 14.804 38.325 -5.407 455 HA THR 57 HA THR 57 16.479 37.341 -7.696 456 HB THR 57 HB THR 57 16.800 37.185 -4.679 457 HG1 THR 57 HG1 THR 57 18.006 38.714 -5.819 458 HG21 THR 57 HG21 THR 57 16.847 34.851 -5.392 459 HG22 THR 57 HG22 THR 57 17.977 35.252 -6.714 460 HG23 THR 57 HG23 THR 57 18.487 35.399 -5.013 461 HA PRO 58 HA PRO 58 13.112 34.382 -7.421 462 HB2 PRO 58 HB2 PRO 58 13.760 32.755 -9.488 463 HB3 PRO 58 HB3 PRO 58 13.264 34.457 -9.745 464 HG2 PRO 58 HG2 PRO 58 16.070 33.328 -9.637 465 HG3 PRO 58 HG3 PRO 58 15.369 34.448 -10.852 466 HD2 PRO 58 HD2 PRO 58 16.876 35.264 -8.667 467 HD3 PRO 58 HD3 PRO 58 15.600 36.278 -9.411 468 H VAL 59 H VAL 59 12.744 32.180 -6.832 469 HA VAL 59 HA VAL 59 15.082 30.570 -6.068 470 HB VAL 59 HB VAL 59 12.759 30.962 -4.161 471 HG11 VAL 59 HG11 VAL 59 13.988 28.861 -3.902 472 HG12 VAL 59 HG12 VAL 59 15.529 29.750 -3.834 473 HG13 VAL 59 HG13 VAL 59 14.323 29.954 -2.544 474 HG21 VAL 59 HG21 VAL 59 13.907 33.118 -4.317 475 HG22 VAL 59 HG22 VAL 59 14.304 32.328 -2.786 476 HG23 VAL 59 HG23 VAL 59 15.487 32.318 -4.119 477 H GLU 60 H GLU 60 14.747 28.338 -6.089 478 HA GLU 60 HA GLU 60 12.160 27.475 -7.300 479 HB2 GLU 60 HB2 GLU 60 14.996 26.588 -7.853 480 HB3 GLU 60 HB3 GLU 60 13.568 25.703 -8.421 481 HG2 GLU 60 HG2 GLU 60 12.802 27.614 -9.707 482 HG3 GLU 60 HG3 GLU 60 14.079 28.641 -9.029 483 H ILE 61 H ILE 61 11.423 25.365 -6.813 484 HA ILE 61 HA ILE 61 12.664 24.043 -4.467 485 HB ILE 61 HB ILE 61 9.707 24.677 -4.744 486 HG12 ILE 61 HG12 ILE 61 11.785 25.942 -2.929 487 HG13 ILE 61 HG13 ILE 61 10.967 26.719 -4.302 488 HG21 ILE 61 HG21 ILE 61 11.271 23.452 -2.432 489 HG22 ILE 61 HG22 ILE 61 9.522 23.782 -2.459 490 HG23 ILE 61 HG23 ILE 61 10.203 22.563 -3.538 491 HD11 ILE 61 HD11 ILE 61 9.657 25.759 -1.733 492 HD12 ILE 61 HD12 ILE 61 9.895 27.436 -2.269 493 HD13 ILE 61 HD13 ILE 61 8.782 26.375 -3.161 494 H VAL 62 H VAL 62 12.330 21.797 -4.407 495 HA VAL 62 HA VAL 62 10.815 20.581 -6.632 496 HB VAL 62 HB VAL 62 13.657 19.794 -5.940 497 HG11 VAL 62 HG11 VAL 62 11.776 18.904 -8.161 498 HG12 VAL 62 HG12 VAL 62 13.480 18.421 -7.987 499 HG13 VAL 62 HG13 VAL 62 12.295 17.925 -6.766 500 HG21 VAL 62 HG21 VAL 62 13.671 21.963 -7.088 501 HG22 VAL 62 HG22 VAL 62 14.239 20.684 -8.176 502 HG23 VAL 62 HG23 VAL 62 12.587 21.319 -8.345 503 H ALA 63 H ALA 63 9.847 18.652 -6.163 504 HA ALA 63 HA ALA 63 10.575 17.096 -3.813 505 HB1 ALA 63 HB1 ALA 63 7.874 18.500 -3.922 506 HB2 ALA 63 HB2 ALA 63 8.418 17.356 -2.673 507 HB3 ALA 63 HB3 ALA 63 9.204 18.940 -2.828 508 H GLN 64 H GLN 64 9.051 15.153 -3.610 509 HA GLN 64 HA GLN 64 8.745 13.977 -6.213 510 HB2 GLN 64 HB2 GLN 64 9.386 12.761 -4.121 511 HB3 GLN 64 HB3 GLN 64 7.768 13.063 -3.480 512 HG2 GLN 64 HG2 GLN 64 7.875 10.804 -4.364 513 HG3 GLN 64 HG3 GLN 64 6.781 11.757 -5.354 514 HE21 GLN 64 HE21 GLN 64 7.183 9.990 -6.957 515 HE22 GLN 64 HE22 GLN 64 8.606 10.106 -7.978 516 H ASN 65 H ASN 65 6.611 15.849 -4.156 517 HA ASN 65 HA ASN 65 4.521 15.752 -6.177 518 HB2 ASN 65 HB2 ASN 65 2.764 15.027 -4.508 519 HB3 ASN 65 HB3 ASN 65 3.886 13.770 -5.033 520 HD21 ASN 65 HD21 ASN 65 3.597 12.453 -3.228 521 HD22 ASN 65 HD22 ASN 65 4.213 12.899 -1.648 522 H LYS 66 H LYS 66 2.655 17.211 -5.545 523 HA LYS 66 HA LYS 66 3.709 19.718 -4.620 524 HB2 LYS 66 HB2 LYS 66 0.852 18.826 -5.169 525 HB3 LYS 66 HB3 LYS 66 1.369 20.501 -4.900 526 HG2 LYS 66 HG2 LYS 66 2.893 20.335 -6.858 527 HG3 LYS 66 HG3 LYS 66 2.312 18.682 -7.158 528 HD2 LYS 66 HD2 LYS 66 0.007 19.545 -7.435 529 HD3 LYS 66 HD3 LYS 66 0.591 21.199 -7.151 530 HE2 LYS 66 HE2 LYS 66 2.084 21.001 -9.122 531 HE3 LYS 66 HE3 LYS 66 1.513 19.349 -9.392 532 HZ1 LYS 66 HZ1 LYS 66 -0.171 21.763 -9.477 533 HZ2 LYS 66 HZ2 LYS 66 0.370 20.922 -10.781 534 HZ3 LYS 66 HZ3 LYS 66 -0.688 20.218 -9.739 535 H GLU 67 H GLU 67 2.326 17.004 -2.983 536 HA GLU 67 HA GLU 67 1.176 18.386 -0.740 537 HB2 GLU 67 HB2 GLU 67 2.293 15.560 -0.941 538 HB3 GLU 67 HB3 GLU 67 1.202 16.154 0.314 539 HG2 GLU 67 HG2 GLU 67 0.559 15.981 -2.665 540 HG3 GLU 67 HG3 GLU 67 0.037 14.834 -1.429 541 H GLN 68 H GLN 68 4.423 18.008 -1.713 542 HA GLN 68 HA GLN 68 5.335 18.687 1.049 543 HB2 GLN 68 HB2 GLN 68 6.729 17.012 -1.079 544 HB3 GLN 68 HB3 GLN 68 7.473 17.534 0.436 545 HG2 GLN 68 HG2 GLN 68 4.987 15.775 0.223 546 HG3 GLN 68 HG3 GLN 68 6.641 15.212 0.529 547 HE21 GLN 68 HE21 GLN 68 7.559 17.172 2.351 548 HE22 GLN 68 HE22 GLN 68 6.616 17.050 3.821 549 H CYS 69 H CYS 69 5.356 19.452 -2.398 550 HA CYS 69 HA CYS 69 7.662 21.204 -2.253 551 HB2 CYS 69 HB2 CYS 69 6.614 20.030 -4.327 552 HB3 CYS 69 HB3 CYS 69 5.382 21.303 -4.269 553 HG CYS 69 HG CYS 69 8.656 21.509 -4.580 554 H GLN 70 H GLN 70 4.105 21.576 -1.946 555 HA GLN 70 HA GLN 70 4.162 24.461 -1.938 556 HB2 GLN 70 HB2 GLN 70 2.101 22.434 -0.980 557 HB3 GLN 70 HB3 GLN 70 1.819 24.177 -1.057 558 HG2 GLN 70 HG2 GLN 70 2.610 22.471 -3.465 559 HG3 GLN 70 HG3 GLN 70 0.942 22.854 -3.032 560 HE21 GLN 70 HE21 GLN 70 1.573 23.588 -5.487 561 HE22 GLN 70 HE22 GLN 70 1.867 25.308 -5.611 562 H GLU 71 H GLU 71 4.589 21.977 0.551 563 HA GLU 71 HA GLU 71 3.956 23.722 2.764 564 HB2 GLU 71 HB2 GLU 71 5.663 21.205 2.656 565 HB3 GLU 71 HB3 GLU 71 4.984 21.943 4.117 566 HG2 GLU 71 HG2 GLU 71 3.374 20.783 1.804 567 HG3 GLU 71 HG3 GLU 71 3.683 19.980 3.344 568 H ALA 72 H ALA 72 6.912 22.952 0.922 569 HA ALA 72 HA ALA 72 8.638 24.443 2.732 570 HB1 ALA 72 HB1 ALA 72 9.429 22.533 1.403 571 HB2 ALA 72 HB2 ALA 72 9.055 23.400 -0.100 572 HB3 ALA 72 HB3 ALA 72 10.323 24.018 0.986 573 H ARG 73 H ARG 73 6.718 25.111 -0.166 574 HA ARG 73 HA ARG 73 7.943 27.625 -0.847 575 HB2 ARG 73 HB2 ARG 73 6.602 26.564 -2.508 576 HB3 ARG 73 HB3 ARG 73 5.261 26.310 -1.386 577 HG2 ARG 73 HG2 ARG 73 4.735 28.086 -2.971 578 HG3 ARG 73 HG3 ARG 73 4.760 28.695 -1.319 579 HD2 ARG 73 HD2 ARG 73 7.107 29.533 -1.720 580 HD3 ARG 73 HD3 ARG 73 6.957 29.028 -3.406 581 HE ARG 73 HE ARG 73 5.799 31.380 -2.152 582 HH11 ARG 73 HH11 ARG 73 5.402 29.044 -4.717 583 HH12 ARG 73 HH12 ARG 73 4.411 30.088 -5.730 584 HH21 ARG 73 HH21 ARG 73 4.480 32.761 -3.439 585 HH22 ARG 73 HH22 ARG 73 3.885 32.193 -4.982 586 H ASN 74 H ASN 74 4.999 26.798 1.039 587 HA ASN 74 HA ASN 74 4.500 29.531 1.763 588 HB2 ASN 74 HB2 ASN 74 3.462 26.859 2.745 589 HB3 ASN 74 HB3 ASN 74 2.933 28.400 3.445 590 HD21 ASN 74 HD21 ASN 74 2.501 26.177 0.844 591 HD22 ASN 74 HD22 ASN 74 1.380 27.149 -0.086 592 H ALA 75 H ALA 75 6.846 27.300 2.937 593 HA ALA 75 HA ALA 75 6.945 28.464 5.611 594 HB1 ALA 75 HB1 ALA 75 8.820 26.581 4.120 595 HB2 ALA 75 HB2 ALA 75 8.911 26.980 5.850 596 HB3 ALA 75 HB3 ALA 75 7.499 26.103 5.218 597 H VAL 76 H VAL 76 8.665 28.824 2.477 598 HA VAL 76 HA VAL 76 10.727 30.523 3.676 599 HB VAL 76 HB VAL 76 10.049 29.718 0.814 600 HG11 VAL 76 HG11 VAL 76 12.439 31.287 1.866 601 HG12 VAL 76 HG12 VAL 76 12.344 30.540 0.256 602 HG13 VAL 76 HG13 VAL 76 11.231 31.846 0.680 603 HG21 VAL 76 HG21 VAL 76 10.879 27.909 2.320 604 HG22 VAL 76 HG22 VAL 76 12.060 28.302 1.056 605 HG23 VAL 76 HG23 VAL 76 12.290 28.907 2.718 606 H MET 77 H MET 77 7.496 30.978 2.806 607 HA MET 77 HA MET 77 7.932 33.764 1.909 608 HB2 MET 77 HB2 MET 77 5.491 31.965 1.898 609 HB3 MET 77 HB3 MET 77 5.495 33.647 1.318 610 HG2 MET 77 HG2 MET 77 7.398 31.522 0.288 611 HG3 MET 77 HG3 MET 77 5.844 31.870 -0.470 612 HE1 MET 77 HE1 MET 77 8.016 31.926 -2.452 613 HE2 MET 77 HE2 MET 77 9.189 33.268 -2.457 614 HE3 MET 77 HE3 MET 77 9.233 32.064 -1.154 615 H SER 78 H SER 78 7.625 32.282 4.864 616 HA SER 78 HA SER 78 6.720 34.807 6.045 617 HB2 SER 78 HB2 SER 78 4.586 33.708 5.577 618 HB3 SER 78 HB3 SER 78 5.134 32.238 6.398 619 HG SER 78 HG SER 78 4.765 34.791 7.572 620 H LEU 79 H LEU 79 8.038 31.508 6.417 621 HA LEU 79 HA LEU 79 8.705 32.137 9.245 622 HB2 LEU 79 HB2 LEU 79 8.940 29.504 7.753 623 HB3 LEU 79 HB3 LEU 79 9.107 29.759 9.487 624 HG LEU 79 HG LEU 79 6.555 30.170 7.858 625 HD11 LEU 79 HD11 LEU 79 5.758 28.223 9.124 626 HD12 LEU 79 HD12 LEU 79 7.204 27.808 8.175 627 HD13 LEU 79 HD13 LEU 79 7.340 28.079 9.928 628 HD21 LEU 79 HD21 LEU 79 5.475 30.465 10.067 629 HD22 LEU 79 HD22 LEU 79 7.071 30.407 10.856 630 HD23 LEU 79 HD23 LEU 79 6.660 31.745 9.750 631 H MET 80 H MET 80 10.178 30.973 6.211 632 HA MET 80 HA MET 80 12.309 30.796 5.504 633 HB2 MET 80 HB2 MET 80 12.694 33.393 7.033 634 HB3 MET 80 HB3 MET 80 13.645 32.813 5.648 635 HG2 MET 80 HG2 MET 80 11.506 32.775 4.308 636 HG3 MET 80 HG3 MET 80 10.685 33.524 5.682 637 HE1 MET 80 HE1 MET 80 13.735 35.510 2.834 638 HE2 MET 80 HE2 MET 80 14.142 34.071 3.792 639 HE3 MET 80 HE3 MET 80 12.869 33.984 2.553 640 H GLN 81 H GLN 81 11.664 29.644 8.218 641 HA GLN 81 HA GLN 81 12.597 28.729 10.018 642 HB2 GLN 81 HB2 GLN 81 13.645 27.329 8.433 643 HB3 GLN 81 HB3 GLN 81 14.865 28.531 8.040 644 HG2 GLN 81 HG2 GLN 81 15.802 26.697 9.378 645 HG3 GLN 81 HG3 GLN 81 15.962 28.245 10.193 646 HE21 GLN 81 HE21 GLN 81 16.294 26.844 12.123 647 HE22 GLN 81 HE22 GLN 81 14.885 26.253 12.981 648 H SER 82 H SER 82 13.209 31.787 9.345 649 HA SER 82 HA SER 82 15.286 32.287 11.376 650 HB2 SER 82 HB2 SER 82 15.031 34.615 10.683 651 HB3 SER 82 HB3 SER 82 15.189 33.583 9.243 652 HG SER 82 HG SER 82 13.460 35.103 9.097 653 H HIS 83 H HIS 83 11.854 31.931 11.194 654 HA HIS 83 HA HIS 83 11.332 33.643 13.528 655 HB2 HIS 83 HB2 HIS 83 9.533 31.968 11.741 656 HB3 HIS 83 HB3 HIS 83 8.969 32.879 13.145 657 HD1 HIS 83 HD1 HIS 83 11.216 33.956 10.124 658 HD2 HIS 83 HD2 HIS 83 7.808 35.033 12.363 659 HE1 HIS 83 HE1 HIS 83 10.373 36.169 9.148 660 HE2 HIS 83 HE2 HIS 83 8.292 36.813 10.515 661 H GLN 84 H GLN 84 10.216 32.856 15.402 662 HA GLN 84 HA GLN 84 10.259 29.989 15.963 663 HB2 GLN 84 HB2 GLN 84 11.684 30.186 17.945 664 HB3 GLN 84 HB3 GLN 84 12.581 30.596 16.481 665 HG2 GLN 84 HG2 GLN 84 11.314 32.669 18.339 666 HG3 GLN 84 HG3 GLN 84 12.979 32.099 18.484 667 HE21 GLN 84 HE21 GLN 84 13.926 31.972 15.913 668 HE22 GLN 84 HE22 GLN 84 13.857 33.550 15.153 669 H ASP 85 H ASP 85 8.476 32.564 15.875 670 HA ASP 85 HA ASP 85 6.970 31.922 18.319 671 HB2 ASP 85 HB2 ASP 85 8.617 33.731 18.921 672 HB3 ASP 85 HB3 ASP 85 7.891 34.757 17.671 673 H LYS 86 H LYS 86 6.543 31.316 15.596 674 HA LYS 86 HA LYS 86 4.914 33.191 14.211 675 HB2 LYS 86 HB2 LYS 86 6.001 31.288 13.116 676 HB3 LYS 86 HB3 LYS 86 5.060 30.160 14.102 677 HG2 LYS 86 HG2 LYS 86 4.092 30.296 11.885 678 HG3 LYS 86 HG3 LYS 86 2.965 30.986 13.060 679 HD2 LYS 86 HD2 LYS 86 3.647 33.267 12.429 680 HD3 LYS 86 HD3 LYS 86 4.866 32.605 11.310 681 HE2 LYS 86 HE2 LYS 86 3.043 31.441 10.064 682 HE3 LYS 86 HE3 LYS 86 1.855 32.203 11.136 683 HZ1 LYS 86 HZ1 LYS 86 2.098 33.439 9.111 684 HZ2 LYS 86 HZ2 LYS 86 2.667 34.340 10.364 685 HZ3 LYS 86 HZ3 LYS 86 3.715 33.605 9.327 Start of MODEL 15 1 H1 SER 1 H SER 1 -5.588 10.454 -13.048 2 HA SER 1 HA SER 1 -5.232 10.145 -10.720 3 HB2 SER 1 HB2 SER 1 -7.403 9.093 -10.227 4 HB3 SER 1 HB3 SER 1 -6.907 7.635 -11.117 5 HG SER 1 HG SER 1 -6.561 7.467 -8.864 6 H GLY 2 H GLY 2 -3.549 8.688 -9.886 7 HA2 GLY 2 HA2 GLY 2 -2.429 6.536 -11.348 8 HA3 GLY 2 HA3 GLY 2 -1.636 8.026 -11.879 9 H SER 3 H SER 3 0.084 6.418 -10.810 10 HA SER 3 HA SER 3 0.709 7.555 -8.156 11 HB2 SER 3 HB2 SER 3 0.538 4.578 -8.748 12 HB3 SER 3 HB3 SER 3 1.298 5.290 -7.303 13 HG SER 3 HG SER 3 -0.877 4.661 -6.958 14 H HIS 4 H HIS 4 2.976 7.091 -7.523 15 HA HIS 4 HA HIS 4 4.738 7.572 -9.741 16 HB2 HIS 4 HB2 HIS 4 5.314 6.905 -6.829 17 HB3 HIS 4 HB3 HIS 4 6.502 7.506 -7.993 18 HD1 HIS 4 HD1 HIS 4 5.404 10.004 -9.213 19 HD2 HIS 4 HD2 HIS 4 4.526 8.817 -5.263 20 HE1 HIS 4 HE1 HIS 4 4.691 12.125 -7.947 21 HE2 HIS 4 HE2 HIS 4 4.152 11.393 -5.558 22 H MET 5 H MET 5 6.635 6.372 -10.247 23 HA MET 5 HA MET 5 6.691 3.500 -9.662 24 HB2 MET 5 HB2 MET 5 5.091 3.807 -11.582 25 HB3 MET 5 HB3 MET 5 6.422 4.487 -12.534 26 HG2 MET 5 HG2 MET 5 7.666 2.363 -12.314 27 HG3 MET 5 HG3 MET 5 6.410 1.722 -11.252 28 HE1 MET 5 HE1 MET 5 7.545 0.168 -13.736 29 HE2 MET 5 HE2 MET 5 6.264 -0.455 -12.667 30 HE3 MET 5 HE3 MET 5 6.050 -0.494 -14.430 31 H LYS 6 H LYS 6 8.394 5.398 -8.758 32 HA LYS 6 HA LYS 6 10.509 6.134 -8.665 33 HB2 LYS 6 HB2 LYS 6 11.117 3.645 -10.297 34 HB3 LYS 6 HB3 LYS 6 12.300 4.620 -9.408 35 HG2 LYS 6 HG2 LYS 6 11.116 4.152 -7.283 36 HG3 LYS 6 HG3 LYS 6 9.900 3.204 -8.158 37 HD2 LYS 6 HD2 LYS 6 11.552 1.726 -7.131 38 HD3 LYS 6 HD3 LYS 6 11.646 1.628 -8.903 39 HE2 LYS 6 HE2 LYS 6 13.570 3.168 -8.894 40 HE3 LYS 6 HE3 LYS 6 13.472 3.298 -7.126 41 HZ1 LYS 6 HZ1 LYS 6 13.927 0.940 -6.993 42 HZ2 LYS 6 HZ2 LYS 6 14.008 0.825 -8.629 43 HZ3 LYS 6 HZ3 LYS 6 15.127 1.705 -7.808 44 H THR 7 H THR 7 8.775 6.945 -10.988 45 HA THR 7 HA THR 7 10.402 7.362 -13.229 46 HB THR 7 HB THR 7 8.192 9.269 -12.673 47 HG1 THR 7 HG1 THR 7 6.727 7.622 -13.171 48 HG21 THR 7 HG21 THR 7 9.346 9.282 -14.855 49 HG22 THR 7 HG22 THR 7 8.993 7.550 -15.056 50 HG23 THR 7 HG23 THR 7 7.669 8.734 -15.032 51 H CYS 8 H CYS 8 11.284 9.242 -14.189 52 HA CYS 8 HA CYS 8 12.944 10.703 -12.345 53 HB2 CYS 8 HB2 CYS 8 12.523 10.887 -15.351 54 HB3 CYS 8 HB3 CYS 8 13.767 11.784 -14.455 55 HG CYS 8 HG CYS 8 14.854 9.717 -15.632 56 H VAL 9 H VAL 9 9.738 11.226 -13.298 57 HA VAL 9 HA VAL 9 9.785 14.086 -13.575 58 HB VAL 9 HB VAL 9 7.460 12.264 -12.877 59 HG11 VAL 9 HG11 VAL 9 7.579 15.063 -14.077 60 HG12 VAL 9 HG12 VAL 9 6.111 14.070 -13.922 61 HG13 VAL 9 HG13 VAL 9 6.960 14.630 -12.470 62 HG21 VAL 9 HG21 VAL 9 8.549 11.537 -14.974 63 HG22 VAL 9 HG22 VAL 9 6.987 12.302 -15.303 64 HG23 VAL 9 HG23 VAL 9 8.493 13.205 -15.585 65 H VAL 10 H VAL 10 9.254 15.702 -12.134 66 HA VAL 10 HA VAL 10 8.798 15.024 -9.300 67 HB VAL 10 HB VAL 10 10.592 16.457 -8.516 68 HG11 VAL 10 HG11 VAL 10 11.107 14.052 -8.852 69 HG12 VAL 10 HG12 VAL 10 11.707 14.427 -10.486 70 HG13 VAL 10 HG13 VAL 10 12.527 15.090 -9.056 71 HG21 VAL 10 HG21 VAL 10 10.741 18.027 -10.407 72 HG22 VAL 10 HG22 VAL 10 12.330 17.308 -10.073 73 HG23 VAL 10 HG23 VAL 10 11.370 16.736 -11.451 74 H GLU 11 H GLU 11 8.136 16.907 -8.032 75 HA GLU 11 HA GLU 11 6.441 18.695 -9.560 76 HB2 GLU 11 HB2 GLU 11 5.806 17.699 -7.365 77 HB3 GLU 11 HB3 GLU 11 7.141 18.569 -6.600 78 HG2 GLU 11 HG2 GLU 11 5.011 19.697 -6.218 79 HG3 GLU 11 HG3 GLU 11 6.119 20.722 -7.130 80 H LYS 12 H LYS 12 6.568 21.046 -9.518 81 HA LYS 12 HA LYS 12 9.114 22.197 -8.577 82 HB2 LYS 12 HB2 LYS 12 8.270 22.016 -11.449 83 HB3 LYS 12 HB3 LYS 12 9.046 23.507 -10.885 84 HG2 LYS 12 HG2 LYS 12 10.929 22.216 -9.964 85 HG3 LYS 12 HG3 LYS 12 10.226 20.717 -10.598 86 HD2 LYS 12 HD2 LYS 12 10.418 21.558 -12.887 87 HD3 LYS 12 HD3 LYS 12 10.967 23.142 -12.295 88 HE2 LYS 12 HE2 LYS 12 12.949 22.093 -11.277 89 HE3 LYS 12 HE3 LYS 12 12.415 20.500 -11.836 90 HZ1 LYS 12 HZ1 LYS 12 12.604 21.306 -14.099 91 HZ2 LYS 12 HZ2 LYS 12 13.112 22.777 -13.567 92 HZ3 LYS 12 HZ3 LYS 12 14.039 21.445 -13.315 93 H ILE 13 H ILE 13 9.098 24.280 -8.038 94 HA ILE 13 HA ILE 13 6.737 25.964 -8.555 95 HB ILE 13 HB ILE 13 7.847 25.333 -5.789 96 HG12 ILE 13 HG12 ILE 13 5.082 24.938 -7.014 97 HG13 ILE 13 HG13 ILE 13 6.234 23.658 -6.596 98 HG21 ILE 13 HG21 ILE 13 6.198 26.980 -4.952 99 HG22 ILE 13 HG22 ILE 13 7.429 27.731 -5.958 100 HG23 ILE 13 HG23 ILE 13 5.799 27.418 -6.627 101 HD11 ILE 13 HD11 ILE 13 4.629 23.741 -4.831 102 HD12 ILE 13 HD12 ILE 13 6.125 24.456 -4.189 103 HD13 ILE 13 HD13 ILE 13 4.766 25.500 -4.674 104 H LYS 14 H LYS 14 7.245 28.219 -8.421 105 HA LYS 14 HA LYS 14 10.063 28.930 -7.913 106 HB2 LYS 14 HB2 LYS 14 9.967 28.419 -10.299 107 HB3 LYS 14 HB3 LYS 14 8.575 29.498 -10.504 108 HG2 LYS 14 HG2 LYS 14 9.964 31.437 -9.833 109 HG3 LYS 14 HG3 LYS 14 11.362 30.356 -9.610 110 HD2 LYS 14 HD2 LYS 14 11.201 29.679 -11.994 111 HD3 LYS 14 HD3 LYS 14 9.866 30.830 -12.223 112 HE2 LYS 14 HE2 LYS 14 12.682 31.556 -11.316 113 HE3 LYS 14 HE3 LYS 14 12.074 31.708 -12.971 114 HZ1 LYS 14 HZ1 LYS 14 10.983 33.109 -10.619 115 HZ2 LYS 14 HZ2 LYS 14 11.919 33.777 -11.799 116 HZ3 LYS 14 HZ3 LYS 14 10.410 33.231 -12.157 117 H GLN 15 H GLN 15 10.306 30.953 -7.013 118 HA GLN 15 HA GLN 15 8.173 32.924 -7.229 119 HB2 GLN 15 HB2 GLN 15 7.242 31.493 -5.502 120 HB3 GLN 15 HB3 GLN 15 8.755 31.537 -4.582 121 HG2 GLN 15 HG2 GLN 15 7.031 33.081 -3.649 122 HG3 GLN 15 HG3 GLN 15 8.496 33.918 -4.146 123 HE21 GLN 15 HE21 GLN 15 7.697 35.941 -4.688 124 HE22 GLN 15 HE22 GLN 15 6.493 36.210 -5.936 125 H TRP 16 H TRP 16 8.772 34.987 -6.546 126 HA TRP 16 HA TRP 16 11.687 35.419 -6.356 127 HB2 TRP 16 HB2 TRP 16 9.356 37.330 -6.732 128 HB3 TRP 16 HB3 TRP 16 11.061 37.745 -6.855 129 HD1 TRP 16 HD1 TRP 16 8.362 35.725 -8.668 130 HE1 TRP 16 HE1 TRP 16 9.001 35.427 -11.129 131 HE3 TRP 16 HE3 TRP 16 13.021 37.809 -8.533 132 HZ2 TRP 16 HZ2 TRP 16 11.233 36.103 -12.851 133 HZ3 TRP 16 HZ3 TRP 16 14.361 38.005 -10.600 134 HH2 TRP 16 HH2 TRP 16 13.485 37.152 -12.760 135 H ILE 17 H ILE 17 12.668 36.589 -4.720 136 HA ILE 17 HA ILE 17 10.986 37.703 -2.558 137 HB ILE 17 HB ILE 17 12.199 36.758 -0.820 138 HG12 ILE 17 HG12 ILE 17 14.349 35.901 -2.778 139 HG13 ILE 17 HG13 ILE 17 14.443 37.228 -1.602 140 HG21 ILE 17 HG21 ILE 17 12.092 34.363 -1.046 141 HG22 ILE 17 HG22 ILE 17 10.752 35.073 -1.957 142 HG23 ILE 17 HG23 ILE 17 12.183 34.467 -2.823 143 HD11 ILE 17 HD11 ILE 17 14.206 34.262 -0.962 144 HD12 ILE 17 HD12 ILE 17 15.600 35.312 -0.680 145 HD13 ILE 17 HD13 ILE 17 14.103 35.573 0.242 146 HA PRO 18 HA PRO 18 13.537 41.171 -3.458 147 HB2 PRO 18 HB2 PRO 18 13.636 42.491 -1.047 148 HB3 PRO 18 HB3 PRO 18 12.164 42.419 -2.070 149 HG2 PRO 18 HG2 PRO 18 12.881 40.621 0.269 150 HG3 PRO 18 HG3 PRO 18 11.343 41.511 -0.013 151 HD2 PRO 18 HD2 PRO 18 11.590 38.904 -0.678 152 HD3 PRO 18 HD3 PRO 18 10.747 40.031 -1.787 153 H THR 19 H THR 19 15.721 41.765 -3.405 154 HA THR 19 HA THR 19 17.451 39.744 -2.548 155 HB THR 19 HB THR 19 18.567 42.425 -3.204 156 HG1 THR 19 HG1 THR 19 18.139 41.947 -5.378 157 HG21 THR 19 HG21 THR 19 20.104 40.539 -2.804 158 HG22 THR 19 HG22 THR 19 19.224 39.555 -3.994 159 HG23 THR 19 HG23 THR 19 20.120 41.002 -4.519 160 H THR 20 H THR 20 16.247 42.315 -0.651 161 HA THR 20 HA THR 20 18.471 42.305 1.196 162 HB THR 20 HB THR 20 16.925 44.247 0.741 163 HG1 THR 20 HG1 THR 20 17.128 44.896 2.888 164 HG21 THR 20 HG21 THR 20 15.169 42.755 2.751 165 HG22 THR 20 HG22 THR 20 14.896 44.388 2.111 166 HG23 THR 20 HG23 THR 20 14.769 42.983 1.032 167 H GLU 21 H GLU 21 15.932 40.114 0.657 168 HA GLU 21 HA GLU 21 16.064 39.147 3.468 169 HB2 GLU 21 HB2 GLU 21 14.093 38.543 1.237 170 HB3 GLU 21 HB3 GLU 21 14.037 37.838 2.859 171 HG2 GLU 21 HG2 GLU 21 13.801 40.806 2.237 172 HG3 GLU 21 HG3 GLU 21 12.454 39.700 2.582 173 H VAL 22 H VAL 22 17.405 38.550 0.383 174 HA VAL 22 HA VAL 22 17.474 35.684 0.423 175 HB VAL 22 HB VAL 22 19.374 37.732 -0.787 176 HG11 VAL 22 HG11 VAL 22 20.036 35.895 -2.324 177 HG12 VAL 22 HG12 VAL 22 20.500 35.568 -0.644 178 HG13 VAL 22 HG13 VAL 22 19.076 34.756 -1.348 179 HG21 VAL 22 HG21 VAL 22 17.111 36.121 -2.044 180 HG22 VAL 22 HG22 VAL 22 16.994 37.835 -1.594 181 HG23 VAL 22 HG23 VAL 22 18.132 37.328 -2.858 182 H GLY 23 H GLY 23 19.203 38.151 2.213 183 HA2 GLY 23 HA2 GLY 23 21.509 36.595 2.929 184 HA3 GLY 23 HA3 GLY 23 20.902 38.047 3.748 185 H LYS 24 H LYS 24 18.173 36.427 3.978 186 HA LYS 24 HA LYS 24 18.856 35.256 6.587 187 HB2 LYS 24 HB2 LYS 24 16.265 35.732 5.084 188 HB3 LYS 24 HB3 LYS 24 16.332 34.733 6.533 189 HG2 LYS 24 HG2 LYS 24 15.678 36.952 7.172 190 HG3 LYS 24 HG3 LYS 24 17.290 36.617 7.826 191 HD2 LYS 24 HD2 LYS 24 18.330 37.951 6.052 192 HD3 LYS 24 HD3 LYS 24 16.751 38.184 5.270 193 HE2 LYS 24 HE2 LYS 24 17.555 39.173 8.040 194 HE3 LYS 24 HE3 LYS 24 17.443 40.160 6.575 195 HZ1 LYS 24 HZ1 LYS 24 15.471 40.386 7.860 196 HZ2 LYS 24 HZ2 LYS 24 15.095 39.576 6.474 197 HZ3 LYS 24 HZ3 LYS 24 15.213 38.766 7.896 198 H ILE 25 H ILE 25 18.333 34.168 3.295 199 HA ILE 25 HA ILE 25 17.831 31.398 4.185 200 HB ILE 25 HB ILE 25 18.060 32.530 1.377 201 HG12 ILE 25 HG12 ILE 25 15.591 32.108 3.116 202 HG13 ILE 25 HG13 ILE 25 16.235 33.665 2.551 203 HG21 ILE 25 HG21 ILE 25 16.843 29.944 2.431 204 HG22 ILE 25 HG22 ILE 25 16.909 30.468 0.729 205 HG23 ILE 25 HG23 ILE 25 18.400 30.086 1.583 206 HD11 ILE 25 HD11 ILE 25 15.060 31.455 0.823 207 HD12 ILE 25 HD12 ILE 25 14.375 33.060 1.148 208 HD13 ILE 25 HD13 ILE 25 15.869 32.907 0.193 209 H LEU 26 H LEU 26 20.425 33.390 2.772 210 HA LEU 26 HA LEU 26 22.113 30.944 2.518 211 HB2 LEU 26 HB2 LEU 26 22.273 33.502 0.901 212 HB3 LEU 26 HB3 LEU 26 23.185 32.006 0.622 213 HG LEU 26 HG LEU 26 20.158 32.303 0.347 214 HD11 LEU 26 HD11 LEU 26 20.645 32.071 -2.059 215 HD12 LEU 26 HD12 LEU 26 21.447 33.504 -1.381 216 HD13 LEU 26 HD13 LEU 26 22.389 32.032 -1.711 217 HD21 LEU 26 HD21 LEU 26 20.841 30.019 1.023 218 HD22 LEU 26 HD22 LEU 26 20.309 30.047 -0.669 219 HD23 LEU 26 HD23 LEU 26 22.044 29.991 -0.290 220 H GLY 27 H GLY 27 21.763 33.581 4.492 221 HA2 GLY 27 HA2 GLY 27 24.434 34.680 4.410 222 HA3 GLY 27 HA3 GLY 27 23.173 35.024 5.605 223 H ASN 28 H ASN 28 23.601 31.680 5.422 224 HA ASN 28 HA ASN 28 25.771 31.591 7.404 225 HB2 ASN 28 HB2 ASN 28 24.291 30.272 8.988 226 HB3 ASN 28 HB3 ASN 28 23.939 31.994 8.854 227 HD21 ASN 28 HD21 ASN 28 21.837 31.457 9.752 228 HD22 ASN 28 HD22 ASN 28 20.574 30.872 8.682 229 H ARG 29 H ARG 29 26.178 30.707 4.975 230 HA ARG 29 HA ARG 29 26.617 28.927 3.624 231 HB2 ARG 29 HB2 ARG 29 26.662 27.326 6.211 232 HB3 ARG 29 HB3 ARG 29 27.406 26.874 4.678 233 HG2 ARG 29 HG2 ARG 29 28.173 29.282 6.386 234 HG3 ARG 29 HG3 ARG 29 29.074 27.768 6.238 235 HD2 ARG 29 HD2 ARG 29 29.364 28.196 3.797 236 HD3 ARG 29 HD3 ARG 29 28.518 29.737 3.982 237 HE ARG 29 HE ARG 29 30.352 30.642 5.159 238 HH11 ARG 29 HH11 ARG 29 30.931 27.261 4.292 239 HH12 ARG 29 HH12 ARG 29 32.655 27.373 4.578 240 HH21 ARG 29 HH21 ARG 29 32.587 30.748 5.519 241 HH22 ARG 29 HH22 ARG 29 33.587 29.335 5.269 242 H ALA 30 H ALA 30 23.886 29.645 4.062 243 HA ALA 30 HA ALA 30 21.795 28.985 3.647 244 HB1 ALA 30 HB1 ALA 30 23.141 26.764 2.079 245 HB2 ALA 30 HB2 ALA 30 21.481 27.358 1.862 246 HB3 ALA 30 HB3 ALA 30 22.854 28.429 1.514 247 H ALA 31 H ALA 31 22.923 27.991 6.154 248 HA ALA 31 HA ALA 31 22.262 25.299 6.664 249 HB1 ALA 31 HB1 ALA 31 22.084 27.727 8.502 250 HB2 ALA 31 HB2 ALA 31 22.174 26.035 9.025 251 HB3 ALA 31 HB3 ALA 31 23.560 26.771 8.187 252 H VAL 32 H VAL 32 20.208 28.230 6.568 253 HA VAL 32 HA VAL 32 17.979 26.882 7.769 254 HB VAL 32 HB VAL 32 16.877 28.831 7.756 255 HG11 VAL 32 HG11 VAL 32 19.645 29.915 7.133 256 HG12 VAL 32 HG12 VAL 32 18.358 30.716 8.054 257 HG13 VAL 32 HG13 VAL 32 19.137 29.269 8.722 258 HG21 VAL 32 HG21 VAL 32 16.509 28.992 5.356 259 HG22 VAL 32 HG22 VAL 32 17.005 30.561 6.011 260 HG23 VAL 32 HG23 VAL 32 18.184 29.560 5.119 261 H LYS 33 H LYS 33 19.018 27.363 4.431 262 HA LYS 33 HA LYS 33 16.540 26.490 3.243 263 HB2 LYS 33 HB2 LYS 33 18.327 27.824 2.097 264 HB3 LYS 33 HB3 LYS 33 19.373 26.388 2.134 265 HG2 LYS 33 HG2 LYS 33 17.671 25.139 0.803 266 HG3 LYS 33 HG3 LYS 33 16.649 26.588 0.780 267 HD2 LYS 33 HD2 LYS 33 17.816 26.546 -1.306 268 HD3 LYS 33 HD3 LYS 33 18.555 27.823 -0.327 269 HE2 LYS 33 HE2 LYS 33 20.329 26.574 -1.388 270 HE3 LYS 33 HE3 LYS 33 20.355 26.187 0.336 271 HZ1 LYS 33 HZ1 LYS 33 19.134 24.157 -0.195 272 HZ2 LYS 33 HZ2 LYS 33 19.134 24.539 -1.780 273 HZ3 LYS 33 HZ3 LYS 33 20.555 24.219 -1.018 274 H LYS 34 H LYS 34 19.606 24.896 4.159 275 HA LYS 34 HA LYS 34 18.855 22.292 3.186 276 HB2 LYS 34 HB2 LYS 34 20.931 23.198 5.215 277 HB3 LYS 34 HB3 LYS 34 20.792 21.541 4.594 278 HG2 LYS 34 HG2 LYS 34 21.105 22.347 2.286 279 HG3 LYS 34 HG3 LYS 34 21.251 24.014 2.870 280 HD2 LYS 34 HD2 LYS 34 23.111 21.716 3.595 281 HD3 LYS 34 HD3 LYS 34 23.454 22.982 2.403 282 HE2 LYS 34 HE2 LYS 34 23.222 24.707 4.181 283 HE3 LYS 34 HE3 LYS 34 22.973 23.422 5.378 284 HZ1 LYS 34 HZ1 LYS 34 25.245 24.148 5.321 285 HZ2 LYS 34 HZ2 LYS 34 25.154 22.581 4.826 286 HZ3 LYS 34 HZ3 LYS 34 25.384 23.779 3.727 287 H HIS 35 H HIS 35 18.114 24.050 6.150 288 HA HIS 35 HA HIS 35 17.329 21.710 7.667 289 HB2 HIS 35 HB2 HIS 35 17.874 23.800 8.797 290 HB3 HIS 35 HB3 HIS 35 16.620 24.660 7.891 291 HD1 HIS 35 HD1 HIS 35 16.987 22.205 10.816 292 HD2 HIS 35 HD2 HIS 35 14.065 24.332 8.649 293 HE1 HIS 35 HE1 HIS 35 14.805 22.015 12.158 294 HE2 HIS 35 HE2 HIS 35 13.031 23.310 10.822 295 H ILE 36 H ILE 36 15.635 24.005 5.456 296 HA ILE 36 HA ILE 36 13.037 22.884 5.982 297 HB ILE 36 HB ILE 36 14.142 24.556 3.702 298 HG12 ILE 36 HG12 ILE 36 12.320 25.334 6.015 299 HG13 ILE 36 HG13 ILE 36 14.079 25.500 6.073 300 HG21 ILE 36 HG21 ILE 36 11.240 23.867 4.362 301 HG22 ILE 36 HG22 ILE 36 11.764 25.036 3.131 302 HG23 ILE 36 HG23 ILE 36 12.139 23.315 2.932 303 HD11 ILE 36 HD11 ILE 36 13.102 27.627 5.436 304 HD12 ILE 36 HD12 ILE 36 14.016 26.961 4.066 305 HD13 ILE 36 HD13 ILE 36 12.234 26.874 4.083 306 H GLU 37 H GLU 37 15.703 22.048 3.801 307 HA GLU 37 HA GLU 37 14.183 20.370 2.041 308 HB2 GLU 37 HB2 GLU 37 17.129 20.522 2.750 309 HB3 GLU 37 HB3 GLU 37 16.477 19.454 1.490 310 HG2 GLU 37 HG2 GLU 37 15.578 21.339 0.256 311 HG3 GLU 37 HG3 GLU 37 16.033 22.463 1.532 312 H ARG 38 H ARG 38 15.785 19.757 5.194 313 HA ARG 38 HA ARG 38 15.190 16.878 4.929 314 HB2 ARG 38 HB2 ARG 38 16.332 16.646 7.053 315 HB3 ARG 38 HB3 ARG 38 17.328 17.584 5.926 316 HG2 ARG 38 HG2 ARG 38 16.637 19.676 7.012 317 HG3 ARG 38 HG3 ARG 38 15.587 18.774 8.130 318 HD2 ARG 38 HD2 ARG 38 18.608 18.476 7.894 319 HD3 ARG 38 HD3 ARG 38 17.765 19.363 9.169 320 HE ARG 38 HE ARG 38 18.065 16.465 8.909 321 HH11 ARG 38 HH11 ARG 38 16.174 19.065 10.410 322 HH12 ARG 38 HH12 ARG 38 15.617 18.051 11.718 323 HH21 ARG 38 HH21 ARG 38 17.310 15.177 10.622 324 HH22 ARG 38 HH22 ARG 38 16.248 15.859 11.833 325 H GLN 39 H GLN 39 13.614 19.726 5.999 326 HA GLN 39 HA GLN 39 11.967 18.484 8.058 327 HB2 GLN 39 HB2 GLN 39 12.534 20.833 8.183 328 HB3 GLN 39 HB3 GLN 39 11.899 21.123 6.554 329 HG2 GLN 39 HG2 GLN 39 9.626 20.633 7.286 330 HG3 GLN 39 HG3 GLN 39 10.200 20.197 8.900 331 HE21 GLN 39 HE21 GLN 39 8.246 22.255 8.217 332 HE22 GLN 39 HE22 GLN 39 8.911 23.774 8.797 333 H PHE 40 H PHE 40 11.836 19.013 4.573 334 HA PHE 40 HA PHE 40 9.206 17.661 4.536 335 HB2 PHE 40 HB2 PHE 40 10.008 20.104 2.967 336 HB3 PHE 40 HB3 PHE 40 8.627 19.091 2.549 337 HD1 PHE 40 HD1 PHE 40 9.450 22.031 4.109 338 HD2 PHE 40 HD2 PHE 40 7.106 18.492 4.788 339 HE1 PHE 40 HE1 PHE 40 7.989 23.300 5.656 340 HE2 PHE 40 HE2 PHE 40 5.685 19.748 6.391 341 HZ PHE 40 HZ PHE 40 6.121 22.145 6.822 342 H ASN 41 H ASN 41 12.222 17.044 3.857 343 HA ASN 41 HA ASN 41 13.388 15.783 2.411 344 HB2 ASN 41 HB2 ASN 41 10.679 14.546 1.842 345 HB3 ASN 41 HB3 ASN 41 12.228 13.838 1.394 346 HD21 ASN 41 HD21 ASN 41 10.328 12.539 3.056 347 HD22 ASN 41 HD22 ASN 41 11.030 12.378 4.654 348 H CYS 42 H CYS 42 11.987 18.343 1.408 349 HA CYS 42 HA CYS 42 11.908 17.877 -1.490 350 HB2 CYS 42 HB2 CYS 42 11.213 20.239 -1.528 351 HB3 CYS 42 HB3 CYS 42 10.251 19.325 -0.349 352 HG CYS 42 HG CYS 42 12.863 21.302 0.092 353 H VAL 43 H VAL 43 13.004 19.900 -2.671 354 HA VAL 43 HA VAL 43 15.732 20.406 -1.588 355 HB VAL 43 HB VAL 43 15.005 19.548 -4.416 356 HG11 VAL 43 HG11 VAL 43 17.663 20.489 -3.263 357 HG12 VAL 43 HG12 VAL 43 17.432 19.785 -4.881 358 HG13 VAL 43 HG13 VAL 43 16.685 21.340 -4.493 359 HG21 VAL 43 HG21 VAL 43 15.233 17.670 -2.829 360 HG22 VAL 43 HG22 VAL 43 16.604 17.701 -3.955 361 HG23 VAL 43 HG23 VAL 43 16.810 18.307 -2.298 362 H ILE 44 H ILE 44 16.481 22.514 -2.022 363 HA ILE 44 HA ILE 44 14.615 24.277 -3.513 364 HB ILE 44 HB ILE 44 15.821 24.832 -0.789 365 HG12 ILE 44 HG12 ILE 44 12.915 24.510 -1.636 366 HG13 ILE 44 HG13 ILE 44 13.862 23.293 -0.758 367 HG21 ILE 44 HG21 ILE 44 14.022 26.591 -2.518 368 HG22 ILE 44 HG22 ILE 44 14.605 26.982 -0.888 369 HG23 ILE 44 HG23 ILE 44 15.755 26.866 -2.211 370 HD11 ILE 44 HD11 ILE 44 14.193 24.921 1.103 371 HD12 ILE 44 HD12 ILE 44 13.117 26.063 0.255 372 HD13 ILE 44 HD13 ILE 44 12.489 24.502 0.809 373 H THR 45 H THR 45 15.533 25.965 -4.602 374 HA THR 45 HA THR 45 18.447 26.258 -4.446 375 HB THR 45 HB THR 45 17.173 26.117 -7.151 376 HG1 THR 45 HG1 THR 45 17.826 23.966 -7.214 377 HG21 THR 45 HG21 THR 45 19.503 25.543 -7.801 378 HG22 THR 45 HG22 THR 45 19.396 27.124 -7.010 379 HG23 THR 45 HG23 THR 45 20.001 25.713 -6.101 380 H VAL 46 H VAL 46 19.304 28.235 -4.699 381 HA VAL 46 HA VAL 46 17.370 30.404 -5.317 382 HB VAL 46 HB VAL 46 19.906 30.703 -3.705 383 HG11 VAL 46 HG11 VAL 46 17.461 32.470 -4.165 384 HG12 VAL 46 HG12 VAL 46 18.766 32.822 -3.013 385 HG13 VAL 46 HG13 VAL 46 19.110 32.775 -4.749 386 HG21 VAL 46 HG21 VAL 46 17.020 30.330 -2.800 387 HG22 VAL 46 HG22 VAL 46 18.369 29.208 -2.502 388 HG23 VAL 46 HG23 VAL 46 18.367 30.817 -1.750 389 H HIS 47 H HIS 47 17.993 32.131 -6.643 390 HA HIS 47 HA HIS 47 20.228 31.459 -8.488 391 HB2 HIS 47 HB2 HIS 47 17.333 32.058 -9.079 392 HB3 HIS 47 HB3 HIS 47 18.603 32.262 -10.302 393 HD1 HIS 47 HD1 HIS 47 20.129 29.930 -10.722 394 HD2 HIS 47 HD2 HIS 47 16.327 29.615 -8.933 395 HE1 HIS 47 HE1 HIS 47 19.387 27.477 -10.996 396 HE2 HIS 47 HE2 HIS 47 17.059 27.316 -9.929 397 H THR 48 H THR 48 21.002 33.131 -6.682 398 HA THR 48 HA THR 48 20.267 35.827 -7.043 399 HB THR 48 HB THR 48 21.838 36.405 -5.499 400 HG1 THR 48 HG1 THR 48 23.768 35.275 -5.223 401 HG21 THR 48 HG21 THR 48 21.967 34.657 -3.788 402 HG22 THR 48 HG22 THR 48 20.360 34.632 -4.544 403 HG23 THR 48 HG23 THR 48 21.575 33.406 -4.983 404 H GLU 49 H GLU 49 22.060 33.933 -9.205 405 HA GLU 49 HA GLU 49 23.735 36.049 -10.226 406 HB2 GLU 49 HB2 GLU 49 24.166 34.560 -12.067 407 HB3 GLU 49 HB3 GLU 49 24.272 33.657 -10.561 408 HG2 GLU 49 HG2 GLU 49 21.758 33.686 -12.284 409 HG3 GLU 49 HG3 GLU 49 23.092 32.577 -12.574 410 H VAL 50 H VAL 50 20.361 35.406 -10.399 411 HA VAL 50 HA VAL 50 19.898 36.760 -12.937 412 HB VAL 50 HB VAL 50 18.006 36.039 -10.677 413 HG11 VAL 50 HG11 VAL 50 17.465 36.867 -13.553 414 HG12 VAL 50 HG12 VAL 50 16.255 36.169 -12.451 415 HG13 VAL 50 HG13 VAL 50 16.981 37.735 -12.072 416 HG21 VAL 50 HG21 VAL 50 18.636 34.589 -13.288 417 HG22 VAL 50 HG22 VAL 50 19.130 34.052 -11.671 418 HG23 VAL 50 HG23 VAL 50 17.405 34.097 -12.103 419 H GLN 51 H GLN 51 18.814 38.812 -13.132 420 HA GLN 51 HA GLN 51 18.581 40.447 -10.707 421 HB2 GLN 51 HB2 GLN 51 19.865 42.316 -11.653 422 HB3 GLN 51 HB3 GLN 51 20.877 40.885 -11.387 423 HG2 GLN 51 HG2 GLN 51 20.695 40.311 -13.795 424 HG3 GLN 51 HG3 GLN 51 19.734 41.770 -14.068 425 HE21 GLN 51 HE21 GLN 51 21.812 41.749 -15.640 426 HE22 GLN 51 HE22 GLN 51 23.119 42.750 -15.046 427 H SER 52 H SER 52 16.830 41.638 -10.756 428 HA SER 52 HA SER 52 15.623 42.387 -13.373 429 HB2 SER 52 HB2 SER 52 14.185 41.241 -10.959 430 HB3 SER 52 HB3 SER 52 13.390 41.971 -12.373 431 HG SER 52 HG SER 52 14.297 40.374 -13.658 432 H SER 53 H SER 53 14.175 44.247 -13.263 433 HA SER 53 HA SER 53 15.492 46.371 -11.881 434 HB2 SER 53 HB2 SER 53 13.769 47.772 -12.926 435 HB3 SER 53 HB3 SER 53 14.402 46.591 -14.087 436 HG SER 53 HG SER 53 12.120 46.702 -14.110 437 H PHE 54 H PHE 54 12.913 44.254 -10.899 438 HA PHE 54 HA PHE 54 11.927 46.162 -8.959 439 HB2 PHE 54 HB2 PHE 54 10.451 44.198 -8.223 440 HB3 PHE 54 HB3 PHE 54 10.153 45.094 -9.708 441 HD1 PHE 54 HD1 PHE 54 12.097 42.071 -8.590 442 HD2 PHE 54 HD2 PHE 54 9.684 43.912 -11.635 443 HE1 PHE 54 HE1 PHE 54 12.133 39.964 -9.890 444 HE2 PHE 54 HE2 PHE 54 9.728 41.800 -12.942 445 HZ PHE 54 HZ PHE 54 10.941 39.820 -12.060 446 H GLY 55 H GLY 55 14.700 44.530 -8.833 447 HA2 GLY 55 HA2 GLY 55 16.174 44.394 -7.075 448 HA3 GLY 55 HA3 GLY 55 14.973 45.196 -6.048 449 H ALA 56 H ALA 56 14.777 42.045 -7.807 450 HA ALA 56 HA ALA 56 14.689 40.660 -5.182 451 HB1 ALA 56 HB1 ALA 56 12.630 40.322 -7.394 452 HB2 ALA 56 HB2 ALA 56 12.686 39.441 -5.851 453 HB3 ALA 56 HB3 ALA 56 12.362 41.190 -5.859 454 H THR 57 H THR 57 14.722 38.279 -5.433 455 HA THR 57 HA THR 57 16.361 37.363 -7.772 456 HB THR 57 HB THR 57 16.821 37.164 -4.777 457 HG1 THR 57 HG1 THR 57 17.956 38.704 -5.976 458 HG21 THR 57 HG21 THR 57 17.899 35.263 -6.898 459 HG22 THR 57 HG22 THR 57 18.493 35.391 -5.221 460 HG23 THR 57 HG23 THR 57 16.841 34.833 -5.529 461 HA PRO 58 HA PRO 58 13.025 34.370 -7.426 462 HB2 PRO 58 HB2 PRO 58 13.611 32.806 -9.553 463 HB3 PRO 58 HB3 PRO 58 13.082 34.510 -9.756 464 HG2 PRO 58 HG2 PRO 58 15.910 33.419 -9.781 465 HG3 PRO 58 HG3 PRO 58 15.153 34.548 -10.946 466 HD2 PRO 58 HD2 PRO 58 16.721 35.353 -8.815 467 HD3 PRO 58 HD3 PRO 58 15.391 36.356 -9.472 468 H VAL 59 H VAL 59 12.686 32.213 -6.825 469 HA VAL 59 HA VAL 59 15.031 30.523 -6.372 470 HB VAL 59 HB VAL 59 14.785 30.120 -4.179 471 HG11 VAL 59 HG11 VAL 59 13.521 32.890 -4.305 472 HG12 VAL 59 HG12 VAL 59 14.389 32.173 -2.928 473 HG13 VAL 59 HG13 VAL 59 15.264 32.555 -4.421 474 HG21 VAL 59 HG21 VAL 59 12.502 29.293 -4.185 475 HG22 VAL 59 HG22 VAL 59 12.719 30.434 -2.856 476 HG23 VAL 59 HG23 VAL 59 11.866 30.954 -4.328 477 H GLU 60 H GLU 60 14.521 28.225 -5.998 478 HA GLU 60 HA GLU 60 11.980 27.431 -7.324 479 HB2 GLU 60 HB2 GLU 60 14.804 26.580 -8.018 480 HB3 GLU 60 HB3 GLU 60 13.356 25.719 -8.583 481 HG2 GLU 60 HG2 GLU 60 12.555 27.698 -9.732 482 HG3 GLU 60 HG3 GLU 60 13.884 28.676 -9.080 483 H ILE 61 H ILE 61 11.290 25.271 -6.899 484 HA ILE 61 HA ILE 61 12.579 23.916 -4.597 485 HB ILE 61 HB ILE 61 9.618 24.559 -4.756 486 HG12 ILE 61 HG12 ILE 61 11.758 25.818 -2.999 487 HG13 ILE 61 HG13 ILE 61 10.906 26.608 -4.343 488 HG21 ILE 61 HG21 ILE 61 11.272 23.309 -2.527 489 HG22 ILE 61 HG22 ILE 61 9.524 23.649 -2.474 490 HG23 ILE 61 HG23 ILE 61 10.142 22.444 -3.593 491 HD11 ILE 61 HD11 ILE 61 9.653 25.611 -1.763 492 HD12 ILE 61 HD12 ILE 61 9.887 27.298 -2.275 493 HD13 ILE 61 HD13 ILE 61 8.753 26.252 -3.162 494 H VAL 62 H VAL 62 12.202 21.691 -4.531 495 HA VAL 62 HA VAL 62 10.527 20.468 -6.645 496 HB VAL 62 HB VAL 62 13.460 19.797 -6.169 497 HG11 VAL 62 HG11 VAL 62 11.379 18.558 -8.005 498 HG12 VAL 62 HG12 VAL 62 13.121 18.199 -8.048 499 HG13 VAL 62 HG13 VAL 62 12.168 17.770 -6.618 500 HG21 VAL 62 HG21 VAL 62 13.195 21.819 -7.554 501 HG22 VAL 62 HG22 VAL 62 13.759 20.448 -8.529 502 HG23 VAL 62 HG23 VAL 62 12.056 20.949 -8.610 503 H ALA 63 H ALA 63 9.629 18.519 -6.063 504 HA ALA 63 HA ALA 63 10.627 16.977 -3.808 505 HB1 ALA 63 HB1 ALA 63 9.327 18.783 -2.656 506 HB2 ALA 63 HB2 ALA 63 7.894 18.307 -3.605 507 HB3 ALA 63 HB3 ALA 63 8.610 17.178 -2.433 508 H GLN 64 H GLN 64 9.129 15.045 -3.427 509 HA GLN 64 HA GLN 64 8.495 13.898 -6.010 510 HB2 GLN 64 HB2 GLN 64 9.564 12.620 -4.230 511 HB3 GLN 64 HB3 GLN 64 8.177 12.869 -3.161 512 HG2 GLN 64 HG2 GLN 64 6.743 11.539 -4.595 513 HG3 GLN 64 HG3 GLN 64 7.989 11.471 -5.857 514 HE21 GLN 64 HE21 GLN 64 7.307 9.087 -5.496 515 HE22 GLN 64 HE22 GLN 64 8.300 8.193 -4.359 516 H ASN 65 H ASN 65 6.685 15.704 -3.662 517 HA ASN 65 HA ASN 65 4.177 15.146 -5.114 518 HB2 ASN 65 HB2 ASN 65 4.441 14.862 -2.090 519 HB3 ASN 65 HB3 ASN 65 2.950 14.700 -3.026 520 HD21 ASN 65 HD21 ASN 65 5.473 13.036 -1.564 521 HD22 ASN 65 HD22 ASN 65 5.281 11.493 -2.379 522 H LYS 66 H LYS 66 2.553 16.754 -4.783 523 HA LYS 66 HA LYS 66 3.501 19.410 -4.216 524 HB2 LYS 66 HB2 LYS 66 0.700 18.248 -4.494 525 HB3 LYS 66 HB3 LYS 66 1.070 19.985 -4.404 526 HG2 LYS 66 HG2 LYS 66 2.472 19.806 -6.421 527 HG3 LYS 66 HG3 LYS 66 2.114 18.071 -6.540 528 HD2 LYS 66 HD2 LYS 66 -0.291 18.576 -6.795 529 HD3 LYS 66 HD3 LYS 66 0.057 20.315 -6.651 530 HE2 LYS 66 HE2 LYS 66 1.511 20.182 -8.655 531 HE3 LYS 66 HE3 LYS 66 1.149 18.455 -8.803 532 HZ1 LYS 66 HZ1 LYS 66 -0.230 19.773 -10.241 533 HZ2 LYS 66 HZ2 LYS 66 -1.157 19.023 -9.106 534 HZ3 LYS 66 HZ3 LYS 66 -0.831 20.630 -8.971 535 H GLU 67 H GLU 67 2.188 16.821 -2.276 536 HA GLU 67 HA GLU 67 1.291 18.415 -0.054 537 HB2 GLU 67 HB2 GLU 67 2.157 15.498 -0.221 538 HB3 GLU 67 HB3 GLU 67 1.287 16.247 1.135 539 HG2 GLU 67 HG2 GLU 67 -0.560 16.849 -0.440 540 HG3 GLU 67 HG3 GLU 67 0.286 15.983 -1.732 541 H GLN 68 H GLN 68 4.392 17.942 -1.270 542 HA GLN 68 HA GLN 68 5.569 18.581 1.406 543 HB2 GLN 68 HB2 GLN 68 6.803 17.032 -0.898 544 HB3 GLN 68 HB3 GLN 68 7.624 17.464 0.608 545 HG2 GLN 68 HG2 GLN 68 6.156 16.046 1.900 546 HG3 GLN 68 HG3 GLN 68 5.083 15.775 0.508 547 HE21 GLN 68 HE21 GLN 68 8.682 15.627 0.942 548 HE22 GLN 68 HE22 GLN 68 8.833 14.007 0.291 549 H CYS 69 H CYS 69 5.396 19.287 -2.082 550 HA CYS 69 HA CYS 69 7.656 21.103 -2.053 551 HB2 CYS 69 HB2 CYS 69 6.628 19.813 -4.052 552 HB3 CYS 69 HB3 CYS 69 5.342 21.042 -4.031 553 HG CYS 69 HG CYS 69 8.614 21.390 -4.333 554 H GLN 70 H GLN 70 4.087 21.396 -1.714 555 HA GLN 70 HA GLN 70 4.085 24.285 -1.767 556 HB2 GLN 70 HB2 GLN 70 2.072 22.262 -0.711 557 HB3 GLN 70 HB3 GLN 70 1.772 24.000 -0.864 558 HG2 GLN 70 HG2 GLN 70 2.516 22.176 -3.196 559 HG3 GLN 70 HG3 GLN 70 0.864 22.627 -2.768 560 HE21 GLN 70 HE21 GLN 70 1.633 23.191 -5.283 561 HE22 GLN 70 HE22 GLN 70 1.918 24.906 -5.485 562 H GLU 71 H GLU 71 4.546 21.843 0.782 563 HA GLU 71 HA GLU 71 3.996 23.687 2.943 564 HB2 GLU 71 HB2 GLU 71 5.614 21.113 2.928 565 HB3 GLU 71 HB3 GLU 71 4.949 21.924 4.353 566 HG2 GLU 71 HG2 GLU 71 3.319 20.729 2.069 567 HG3 GLU 71 HG3 GLU 71 3.587 19.990 3.653 568 H ALA 72 H ALA 72 6.875 22.772 1.066 569 HA ALA 72 HA ALA 72 8.696 24.278 2.777 570 HB1 ALA 72 HB1 ALA 72 10.315 23.743 0.989 571 HB2 ALA 72 HB2 ALA 72 9.407 22.291 1.491 572 HB3 ALA 72 HB3 ALA 72 8.999 23.118 -0.030 573 H ARG 73 H ARG 73 6.692 24.866 -0.056 574 HA ARG 73 HA ARG 73 7.944 27.330 -0.886 575 HB2 ARG 73 HB2 ARG 73 6.628 26.068 -2.461 576 HB3 ARG 73 HB3 ARG 73 5.253 26.005 -1.358 577 HG2 ARG 73 HG2 ARG 73 4.844 27.574 -3.168 578 HG3 ARG 73 HG3 ARG 73 4.851 28.396 -1.605 579 HD2 ARG 73 HD2 ARG 73 7.030 29.352 -2.025 580 HD3 ARG 73 HD3 ARG 73 7.303 28.270 -3.392 581 HE ARG 73 HE ARG 73 6.268 29.788 -4.748 582 HH11 ARG 73 HH11 ARG 73 4.976 30.247 -1.490 583 HH12 ARG 73 HH12 ARG 73 3.907 31.548 -1.983 584 HH21 ARG 73 HH21 ARG 73 4.907 31.509 -5.339 585 HH22 ARG 73 HH22 ARG 73 3.898 32.272 -4.134 586 H ASN 74 H ASN 74 5.153 26.517 1.216 587 HA ASN 74 HA ASN 74 4.530 29.319 1.660 588 HB2 ASN 74 HB2 ASN 74 3.525 26.709 2.832 589 HB3 ASN 74 HB3 ASN 74 2.929 28.286 3.374 590 HD21 ASN 74 HD21 ASN 74 1.913 25.847 1.584 591 HD22 ASN 74 HD22 ASN 74 1.077 26.698 0.299 592 H ALA 75 H ALA 75 6.848 27.149 3.096 593 HA ALA 75 HA ALA 75 6.865 28.469 5.682 594 HB1 ALA 75 HB1 ALA 75 7.592 26.131 5.368 595 HB2 ALA 75 HB2 ALA 75 8.904 26.676 4.297 596 HB3 ALA 75 HB3 ALA 75 8.911 27.133 6.014 597 H VAL 76 H VAL 76 8.485 28.979 2.556 598 HA VAL 76 HA VAL 76 10.546 30.679 3.739 599 HB VAL 76 HB VAL 76 9.822 30.033 0.855 600 HG11 VAL 76 HG11 VAL 76 11.073 32.123 0.869 601 HG12 VAL 76 HG12 VAL 76 12.254 31.446 2.021 602 HG13 VAL 76 HG13 VAL 76 12.157 30.818 0.362 603 HG21 VAL 76 HG21 VAL 76 10.593 28.094 2.226 604 HG22 VAL 76 HG22 VAL 76 11.769 28.533 0.969 605 HG23 VAL 76 HG23 VAL 76 12.056 29.001 2.663 606 H MET 77 H MET 77 7.279 31.122 2.876 607 HA MET 77 HA MET 77 7.653 33.872 1.902 608 HB2 MET 77 HB2 MET 77 5.173 32.197 2.435 609 HB3 MET 77 HB3 MET 77 5.167 33.803 1.678 610 HG2 MET 77 HG2 MET 77 6.697 31.422 0.568 611 HG3 MET 77 HG3 MET 77 5.043 31.815 0.121 612 HE1 MET 77 HE1 MET 77 8.744 33.329 0.218 613 HE2 MET 77 HE2 MET 77 8.531 31.970 -0.919 614 HE3 MET 77 HE3 MET 77 8.869 33.601 -1.535 615 H SER 78 H SER 78 7.338 32.407 5.013 616 HA SER 78 HA SER 78 6.828 35.078 6.145 617 HB2 SER 78 HB2 SER 78 4.896 34.365 7.432 618 HB3 SER 78 HB3 SER 78 4.590 34.090 5.697 619 HG SER 78 HG SER 78 4.006 32.295 6.990 620 H LEU 79 H LEU 79 8.020 31.768 6.527 621 HA LEU 79 HA LEU 79 8.747 32.410 9.347 622 HB2 LEU 79 HB2 LEU 79 8.842 29.758 7.857 623 HB3 LEU 79 HB3 LEU 79 9.135 30.009 9.578 624 HG LEU 79 HG LEU 79 6.507 30.472 8.098 625 HD11 LEU 79 HD11 LEU 79 5.728 28.559 9.439 626 HD12 LEU 79 HD12 LEU 79 7.108 28.097 8.417 627 HD13 LEU 79 HD13 LEU 79 7.350 28.389 10.154 628 HD21 LEU 79 HD21 LEU 79 5.562 30.797 10.387 629 HD22 LEU 79 HD22 LEU 79 7.212 30.733 11.057 630 HD23 LEU 79 HD23 LEU 79 6.734 32.059 9.974 631 H MET 80 H MET 80 10.069 31.347 6.215 632 HA MET 80 HA MET 80 12.159 31.193 5.391 633 HB2 MET 80 HB2 MET 80 12.696 33.643 7.104 634 HB3 MET 80 HB3 MET 80 13.541 33.158 5.621 635 HG2 MET 80 HG2 MET 80 11.299 33.269 4.434 636 HG3 MET 80 HG3 MET 80 10.622 33.977 5.904 637 HE1 MET 80 HE1 MET 80 13.496 35.922 2.878 638 HE2 MET 80 HE2 MET 80 13.972 34.472 3.776 639 HE3 MET 80 HE3 MET 80 12.569 34.421 2.675 640 H GLN 81 H GLN 81 11.636 29.916 8.144 641 HA GLN 81 HA GLN 81 12.739 28.839 9.779 642 HB2 GLN 81 HB2 GLN 81 13.348 27.511 7.886 643 HB3 GLN 81 HB3 GLN 81 14.720 28.541 7.510 644 HG2 GLN 81 HG2 GLN 81 15.349 26.391 8.562 645 HG3 GLN 81 HG3 GLN 81 15.938 27.771 9.466 646 HE21 GLN 81 HE21 GLN 81 16.148 26.419 11.342 647 HE22 GLN 81 HE22 GLN 81 14.744 25.969 12.287 648 H SER 82 H SER 82 13.147 31.798 9.625 649 HA SER 82 HA SER 82 15.386 31.880 11.547 650 HB2 SER 82 HB2 SER 82 16.463 33.752 10.381 651 HB3 SER 82 HB3 SER 82 16.444 32.298 9.360 652 HG SER 82 HG SER 82 14.791 33.162 8.183 653 H HIS 83 H HIS 83 12.275 32.993 10.560 654 HA HIS 83 HA HIS 83 12.422 35.519 11.995 655 HB2 HIS 83 HB2 HIS 83 10.064 33.924 10.959 656 HB3 HIS 83 HB3 HIS 83 9.975 35.543 11.658 657 HD1 HIS 83 HD1 HIS 83 8.940 35.500 8.843 658 HD2 HIS 83 HD2 HIS 83 13.039 35.865 9.760 659 HE1 HIS 83 HE1 HIS 83 10.050 36.596 6.802 660 HE2 HIS 83 HE2 HIS 83 12.542 36.804 7.367 661 H GLN 84 H GLN 84 11.287 36.041 13.935 662 HA GLN 84 HA GLN 84 11.692 34.007 15.966 663 HB2 GLN 84 HB2 GLN 84 10.623 36.845 16.109 664 HB3 GLN 84 HB3 GLN 84 11.057 35.836 17.503 665 HG2 GLN 84 HG2 GLN 84 13.386 35.671 16.663 666 HG3 GLN 84 HG3 GLN 84 12.968 36.709 15.291 667 HE21 GLN 84 HE21 GLN 84 15.001 37.661 16.634 668 HE22 GLN 84 HE22 GLN 84 14.547 38.960 17.723 669 H ASP 85 H ASP 85 8.972 34.848 14.010 670 HA ASP 85 HA ASP 85 7.068 34.030 16.059 671 HB2 ASP 85 HB2 ASP 85 5.348 34.448 14.242 672 HB3 ASP 85 HB3 ASP 85 6.248 35.818 14.897 673 H LYS 86 H LYS 86 9.072 32.256 14.296 674 HA LYS 86 HA LYS 86 7.327 30.211 13.244 675 HB2 LYS 86 HB2 LYS 86 9.578 30.570 12.370 676 HB3 LYS 86 HB3 LYS 86 10.279 30.226 13.960 677 HG2 LYS 86 HG2 LYS 86 9.403 27.904 13.861 678 HG3 LYS 86 HG3 LYS 86 8.623 28.258 12.314 679 HD2 LYS 86 HD2 LYS 86 10.752 27.049 11.988 680 HD3 LYS 86 HD3 LYS 86 10.813 28.669 11.273 681 HE2 LYS 86 HE2 LYS 86 12.899 28.156 12.462 682 HE3 LYS 86 HE3 LYS 86 12.059 29.520 13.207 683 HZ1 LYS 86 HZ1 LYS 86 11.982 26.737 14.179 684 HZ2 LYS 86 HZ2 LYS 86 12.851 27.962 14.849 685 HZ3 LYS 86 HZ3 LYS 86 11.207 28.006 14.871 Start of MODEL 16 1 H1 SER 1 H SER 1 22.140 5.509 -9.522 2 HA SER 1 HA SER 1 21.730 5.835 -11.850 3 HB2 SER 1 HB2 SER 1 23.963 3.889 -11.172 4 HB3 SER 1 HB3 SER 1 23.852 4.836 -12.670 5 HG SER 1 HG SER 1 25.111 5.872 -11.063 6 H GLY 2 H GLY 2 21.786 4.787 -14.009 7 HA2 GLY 2 HA2 GLY 2 21.174 3.153 -15.525 8 HA3 GLY 2 HA3 GLY 2 21.000 1.982 -14.211 9 H SER 3 H SER 3 19.180 2.171 -16.350 10 HA SER 3 HA SER 3 16.914 3.825 -15.736 11 HB2 SER 3 HB2 SER 3 17.389 3.064 -17.995 12 HB3 SER 3 HB3 SER 3 17.196 1.362 -17.490 13 HG SER 3 HG SER 3 15.306 2.252 -18.450 14 H HIS 4 H HIS 4 14.861 3.222 -14.983 15 HA HIS 4 HA HIS 4 14.561 0.613 -13.624 16 HB2 HIS 4 HB2 HIS 4 14.313 3.323 -12.286 17 HB3 HIS 4 HB3 HIS 4 13.573 1.853 -11.644 18 HD1 HIS 4 HD1 HIS 4 17.204 2.960 -12.587 19 HD2 HIS 4 HD2 HIS 4 14.973 0.578 -9.917 20 HE1 HIS 4 HE1 HIS 4 18.882 1.953 -10.931 21 HE2 HIS 4 HE2 HIS 4 17.514 0.516 -9.304 22 H MET 5 H MET 5 12.338 0.091 -13.127 23 HA MET 5 HA MET 5 10.529 0.949 -15.212 24 HB2 MET 5 HB2 MET 5 10.589 -1.344 -14.410 25 HB3 MET 5 HB3 MET 5 10.175 -0.826 -12.767 26 HG2 MET 5 HG2 MET 5 7.988 -0.047 -13.518 27 HG3 MET 5 HG3 MET 5 8.410 -0.399 -15.200 28 HE1 MET 5 HE1 MET 5 5.732 -1.342 -13.824 29 HE2 MET 5 HE2 MET 5 6.174 -1.696 -15.510 30 HE3 MET 5 HE3 MET 5 5.613 -3.006 -14.444 31 H LYS 6 H LYS 6 11.156 1.987 -11.921 32 HA LYS 6 HA LYS 6 8.570 3.209 -11.476 33 HB2 LYS 6 HB2 LYS 6 11.263 3.630 -10.134 34 HB3 LYS 6 HB3 LYS 6 9.714 4.271 -9.554 35 HG2 LYS 6 HG2 LYS 6 8.831 1.972 -9.347 36 HG3 LYS 6 HG3 LYS 6 10.398 1.319 -9.888 37 HD2 LYS 6 HD2 LYS 6 11.512 2.375 -7.948 38 HD3 LYS 6 HD3 LYS 6 9.973 3.092 -7.441 39 HE2 LYS 6 HE2 LYS 6 10.454 1.107 -6.112 40 HE3 LYS 6 HE3 LYS 6 9.015 0.844 -7.111 41 HZ1 LYS 6 HZ1 LYS 6 11.728 -0.109 -7.752 42 HZ2 LYS 6 HZ2 LYS 6 10.516 -1.035 -7.154 43 HZ3 LYS 6 HZ3 LYS 6 10.380 -0.382 -8.656 44 H THR 7 H THR 7 8.204 5.485 -11.221 45 HA THR 7 HA THR 7 9.084 6.940 -13.495 46 HB THR 7 HB THR 7 7.529 8.519 -13.042 47 HG1 THR 7 HG1 THR 7 6.846 8.992 -10.918 48 HG21 THR 7 HG21 THR 7 5.527 7.475 -12.187 49 HG22 THR 7 HG22 THR 7 6.432 6.271 -13.125 50 HG23 THR 7 HG23 THR 7 6.468 6.219 -11.343 51 H CYS 8 H CYS 8 9.848 9.169 -13.514 52 HA CYS 8 HA CYS 8 11.864 9.724 -11.394 53 HB2 CYS 8 HB2 CYS 8 12.227 9.925 -14.403 54 HB3 CYS 8 HB3 CYS 8 13.372 10.575 -13.209 55 HG CYS 8 HG CYS 8 13.975 8.414 -12.052 56 H VAL 9 H VAL 9 9.022 10.714 -12.585 57 HA VAL 9 HA VAL 9 9.536 13.492 -13.095 58 HB VAL 9 HB VAL 9 7.610 12.178 -13.995 59 HG11 VAL 9 HG11 VAL 9 6.492 12.528 -11.179 60 HG12 VAL 9 HG12 VAL 9 5.618 11.897 -12.590 61 HG13 VAL 9 HG13 VAL 9 6.980 10.980 -11.911 62 HG21 VAL 9 HG21 VAL 9 7.647 14.663 -13.988 63 HG22 VAL 9 HG22 VAL 9 6.006 14.004 -13.836 64 HG23 VAL 9 HG23 VAL 9 6.831 14.660 -12.410 65 H VAL 10 H VAL 10 9.007 15.315 -11.847 66 HA VAL 10 HA VAL 10 8.524 14.931 -8.967 67 HB VAL 10 HB VAL 10 10.407 16.332 -8.315 68 HG11 VAL 10 HG11 VAL 10 10.774 13.880 -8.444 69 HG12 VAL 10 HG12 VAL 10 11.393 14.073 -10.105 70 HG13 VAL 10 HG13 VAL 10 12.254 14.815 -8.738 71 HG21 VAL 10 HG21 VAL 10 10.616 17.725 -10.322 72 HG22 VAL 10 HG22 VAL 10 12.168 16.954 -9.933 73 HG23 VAL 10 HG23 VAL 10 11.172 16.317 -11.259 74 H GLU 11 H GLU 11 7.891 16.887 -7.891 75 HA GLU 11 HA GLU 11 6.411 18.715 -9.641 76 HB2 GLU 11 HB2 GLU 11 6.677 18.442 -6.626 77 HB3 GLU 11 HB3 GLU 11 5.674 19.676 -7.405 78 HG2 GLU 11 HG2 GLU 11 5.370 16.674 -7.853 79 HG3 GLU 11 HG3 GLU 11 4.418 17.631 -6.704 80 H LYS 12 H LYS 12 6.548 21.053 -9.412 81 HA LYS 12 HA LYS 12 9.097 22.109 -8.389 82 HB2 LYS 12 HB2 LYS 12 8.378 21.935 -11.300 83 HB3 LYS 12 HB3 LYS 12 9.158 23.411 -10.705 84 HG2 LYS 12 HG2 LYS 12 10.976 22.076 -9.710 85 HG3 LYS 12 HG3 LYS 12 10.255 20.590 -10.377 86 HD2 LYS 12 HD2 LYS 12 10.552 21.417 -12.648 87 HD3 LYS 12 HD3 LYS 12 11.121 22.990 -12.041 88 HE2 LYS 12 HE2 LYS 12 13.040 21.880 -10.948 89 HE3 LYS 12 HE3 LYS 12 12.476 20.309 -11.540 90 HZ1 LYS 12 HZ1 LYS 12 13.291 22.582 -13.224 91 HZ2 LYS 12 HZ2 LYS 12 14.172 21.218 -12.951 92 HZ3 LYS 12 HZ3 LYS 12 12.758 21.130 -13.781 93 H ILE 13 H ILE 13 9.149 24.252 -7.972 94 HA ILE 13 HA ILE 13 6.810 25.948 -8.566 95 HB ILE 13 HB ILE 13 7.825 25.260 -5.788 96 HG12 ILE 13 HG12 ILE 13 5.053 25.289 -7.067 97 HG13 ILE 13 HG13 ILE 13 6.006 23.855 -6.645 98 HG21 ILE 13 HG21 ILE 13 6.457 27.114 -4.914 99 HG22 ILE 13 HG22 ILE 13 7.738 27.718 -5.960 100 HG23 ILE 13 HG23 ILE 13 6.069 27.618 -6.576 101 HD11 ILE 13 HD11 ILE 13 5.953 24.609 -4.236 102 HD12 ILE 13 HD12 ILE 13 4.792 25.869 -4.709 103 HD13 ILE 13 HD13 ILE 13 4.371 24.161 -4.919 104 H LYS 14 H LYS 14 7.338 28.177 -8.585 105 HA LYS 14 HA LYS 14 10.114 28.932 -7.937 106 HB2 LYS 14 HB2 LYS 14 10.263 28.373 -10.282 107 HB3 LYS 14 HB3 LYS 14 8.808 29.322 -10.650 108 HG2 LYS 14 HG2 LYS 14 9.970 31.399 -9.976 109 HG3 LYS 14 HG3 LYS 14 11.404 30.461 -9.525 110 HD2 LYS 14 HD2 LYS 14 11.698 31.506 -11.714 111 HD3 LYS 14 HD3 LYS 14 11.702 29.741 -11.851 112 HE2 LYS 14 HE2 LYS 14 10.403 30.771 -13.660 113 HE3 LYS 14 HE3 LYS 14 9.363 29.778 -12.629 114 HZ1 LYS 14 HZ1 LYS 14 8.639 31.790 -11.535 115 HZ2 LYS 14 HZ2 LYS 14 9.631 32.707 -12.473 116 HZ3 LYS 14 HZ3 LYS 14 8.377 31.902 -13.157 117 H GLN 15 H GLN 15 10.261 30.957 -7.078 118 HA GLN 15 HA GLN 15 8.185 32.939 -7.528 119 HB2 GLN 15 HB2 GLN 15 7.056 31.591 -5.848 120 HB3 GLN 15 HB3 GLN 15 8.494 31.598 -4.811 121 HG2 GLN 15 HG2 GLN 15 6.777 33.208 -4.032 122 HG3 GLN 15 HG3 GLN 15 8.293 34.002 -4.461 123 HE21 GLN 15 HE21 GLN 15 7.519 36.025 -5.024 124 HE22 GLN 15 HE22 GLN 15 6.402 36.305 -6.342 125 H TRP 16 H TRP 16 8.761 35.007 -6.849 126 HA TRP 16 HA TRP 16 11.648 35.415 -6.477 127 HB2 TRP 16 HB2 TRP 16 9.345 37.349 -6.902 128 HB3 TRP 16 HB3 TRP 16 11.063 37.752 -6.965 129 HD1 TRP 16 HD1 TRP 16 8.416 35.774 -8.910 130 HE1 TRP 16 HE1 TRP 16 9.155 35.498 -11.341 131 HE3 TRP 16 HE3 TRP 16 13.073 37.845 -8.569 132 HZ2 TRP 16 HZ2 TRP 16 11.488 36.101 -12.949 133 HZ3 TRP 16 HZ3 TRP 16 14.509 38.025 -10.575 134 HH2 TRP 16 HH2 TRP 16 13.735 37.155 -12.762 135 H ILE 17 H ILE 17 12.574 36.516 -4.778 136 HA ILE 17 HA ILE 17 10.823 37.500 -2.601 137 HB ILE 17 HB ILE 17 12.033 36.499 -0.900 138 HG12 ILE 17 HG12 ILE 17 14.233 35.803 -2.864 139 HG13 ILE 17 HG13 ILE 17 14.285 37.059 -1.613 140 HG21 ILE 17 HG21 ILE 17 10.632 34.868 -2.145 141 HG22 ILE 17 HG22 ILE 17 12.084 34.334 -3.033 142 HG23 ILE 17 HG23 ILE 17 11.978 34.115 -1.272 143 HD11 ILE 17 HD11 ILE 17 14.096 34.057 -1.156 144 HD12 ILE 17 HD12 ILE 17 15.467 35.118 -0.799 145 HD13 ILE 17 HD13 ILE 17 13.962 35.294 0.125 146 HA PRO 18 HA PRO 18 13.310 41.077 -3.266 147 HB2 PRO 18 HB2 PRO 18 13.371 42.252 -0.778 148 HB3 PRO 18 HB3 PRO 18 11.914 42.211 -1.826 149 HG2 PRO 18 HG2 PRO 18 12.641 40.303 0.417 150 HG3 PRO 18 HG3 PRO 18 11.087 41.174 0.175 151 HD2 PRO 18 HD2 PRO 18 11.390 38.613 -0.649 152 HD3 PRO 18 HD3 PRO 18 10.535 39.789 -1.695 153 H THR 19 H THR 19 15.504 41.655 -3.208 154 HA THR 19 HA THR 19 17.242 39.629 -2.368 155 HB THR 19 HB THR 19 18.342 42.322 -2.957 156 HG1 THR 19 HG1 THR 19 17.948 41.891 -5.146 157 HG21 THR 19 HG21 THR 19 19.030 39.474 -3.799 158 HG22 THR 19 HG22 THR 19 19.927 40.939 -4.278 159 HG23 THR 19 HG23 THR 19 19.882 40.452 -2.575 160 H THR 20 H THR 20 15.976 42.140 -0.446 161 HA THR 20 HA THR 20 18.181 42.165 1.417 162 HB THR 20 HB THR 20 16.563 44.069 0.997 163 HG1 THR 20 HG1 THR 20 16.728 44.660 3.177 164 HG21 THR 20 HG21 THR 20 14.879 42.485 2.996 165 HG22 THR 20 HG22 THR 20 14.539 44.111 2.363 166 HG23 THR 20 HG23 THR 20 14.462 42.703 1.281 167 H GLU 21 H GLU 21 15.712 39.898 0.843 168 HA GLU 21 HA GLU 21 15.960 38.839 3.618 169 HB2 GLU 21 HB2 GLU 21 13.883 38.244 1.479 170 HB3 GLU 21 HB3 GLU 21 13.908 37.575 3.118 171 HG2 GLU 21 HG2 GLU 21 13.597 40.518 2.430 172 HG3 GLU 21 HG3 GLU 21 12.300 39.406 2.883 173 H VAL 22 H VAL 22 17.204 38.400 0.492 174 HA VAL 22 HA VAL 22 17.317 35.528 0.379 175 HB VAL 22 HB VAL 22 19.125 37.713 -0.738 176 HG11 VAL 22 HG11 VAL 22 19.060 34.736 -1.369 177 HG12 VAL 22 HG12 VAL 22 19.929 35.966 -2.320 178 HG13 VAL 22 HG13 VAL 22 20.415 35.643 -0.647 179 HG21 VAL 22 HG21 VAL 22 17.019 35.972 -2.087 180 HG22 VAL 22 HG22 VAL 22 16.746 37.648 -1.562 181 HG23 VAL 22 HG23 VAL 22 17.945 37.301 -2.824 182 H GLY 23 H GLY 23 19.033 37.975 2.227 183 HA2 GLY 23 HA2 GLY 23 21.301 36.374 2.965 184 HA3 GLY 23 HA3 GLY 23 20.715 37.845 3.772 185 H LYS 24 H LYS 24 17.975 36.114 3.856 186 HA LYS 24 HA LYS 24 18.546 35.014 6.529 187 HB2 LYS 24 HB2 LYS 24 15.958 34.998 4.929 188 HB3 LYS 24 HB3 LYS 24 16.138 34.732 6.664 189 HG2 LYS 24 HG2 LYS 24 16.690 37.342 5.185 190 HG3 LYS 24 HG3 LYS 24 15.276 36.977 6.190 191 HD2 LYS 24 HD2 LYS 24 16.708 36.778 8.181 192 HD3 LYS 24 HD3 LYS 24 18.161 37.002 7.186 193 HE2 LYS 24 HE2 LYS 24 17.560 39.097 8.301 194 HE3 LYS 24 HE3 LYS 24 17.421 39.249 6.541 195 HZ1 LYS 24 HZ1 LYS 24 15.165 38.767 8.368 196 HZ2 LYS 24 HZ2 LYS 24 15.554 40.217 7.700 197 HZ3 LYS 24 HZ3 LYS 24 15.065 38.984 6.741 198 H ILE 25 H ILE 25 18.076 33.945 3.203 199 HA ILE 25 HA ILE 25 17.666 31.141 3.999 200 HB ILE 25 HB ILE 25 17.974 32.426 1.261 201 HG12 ILE 25 HG12 ILE 25 15.458 31.728 2.830 202 HG13 ILE 25 HG13 ILE 25 16.031 33.360 2.422 203 HG21 ILE 25 HG21 ILE 25 16.964 30.340 0.430 204 HG22 ILE 25 HG22 ILE 25 18.458 30.002 1.305 205 HG23 ILE 25 HG23 ILE 25 16.891 29.709 2.098 206 HD11 ILE 25 HD11 ILE 25 15.862 32.753 -0.010 207 HD12 ILE 25 HD12 ILE 25 15.072 31.229 0.482 208 HD13 ILE 25 HD13 ILE 25 14.308 32.783 0.862 209 H LEU 26 H LEU 26 20.209 33.280 2.775 210 HA LEU 26 HA LEU 26 22.074 30.972 2.561 211 HB2 LEU 26 HB2 LEU 26 22.170 33.582 1.017 212 HB3 LEU 26 HB3 LEU 26 23.173 32.153 0.755 213 HG LEU 26 HG LEU 26 20.154 32.294 0.309 214 HD11 LEU 26 HD11 LEU 26 20.803 32.167 -2.075 215 HD12 LEU 26 HD12 LEU 26 21.474 33.626 -1.309 216 HD13 LEU 26 HD13 LEU 26 22.515 32.218 -1.612 217 HD21 LEU 26 HD21 LEU 26 20.937 30.026 0.944 218 HD22 LEU 26 HD22 LEU 26 20.493 30.086 -0.773 219 HD23 LEU 26 HD23 LEU 26 22.206 30.121 -0.296 220 H GLY 27 H GLY 27 21.419 32.973 4.860 221 HA2 GLY 27 HA2 GLY 27 23.570 34.821 5.047 222 HA3 GLY 27 HA3 GLY 27 22.518 34.280 6.369 223 H ASN 28 H ASN 28 23.533 31.380 5.690 224 HA ASN 28 HA ASN 28 26.348 31.495 6.461 225 HB2 ASN 28 HB2 ASN 28 25.281 31.873 8.640 226 HB3 ASN 28 HB3 ASN 28 24.217 30.491 8.382 227 HD21 ASN 28 HD21 ASN 28 25.101 29.730 10.467 228 HD22 ASN 28 HD22 ASN 28 26.623 28.869 10.469 229 H ARG 29 H ARG 29 26.810 30.213 4.696 230 HA ARG 29 HA ARG 29 26.982 28.354 3.406 231 HB2 ARG 29 HB2 ARG 29 26.620 27.034 6.115 232 HB3 ARG 29 HB3 ARG 29 27.246 26.225 4.668 233 HG2 ARG 29 HG2 ARG 29 29.136 27.756 4.557 234 HG3 ARG 29 HG3 ARG 29 28.494 28.713 5.920 235 HD2 ARG 29 HD2 ARG 29 28.711 26.777 7.419 236 HD3 ARG 29 HD3 ARG 29 29.277 25.773 6.078 237 HE ARG 29 HE ARG 29 31.381 26.698 6.261 238 HH11 ARG 29 HH11 ARG 29 29.111 28.764 8.034 239 HH12 ARG 29 HH12 ARG 29 30.381 29.715 8.764 240 HH21 ARG 29 HH21 ARG 29 32.995 27.973 7.215 241 HH22 ARG 29 HH22 ARG 29 32.575 29.276 8.301 242 H ALA 30 H ALA 30 24.231 29.430 3.760 243 HA ALA 30 HA ALA 30 22.073 28.939 3.376 244 HB1 ALA 30 HB1 ALA 30 23.219 26.671 1.716 245 HB2 ALA 30 HB2 ALA 30 21.600 27.391 1.568 246 HB3 ALA 30 HB3 ALA 30 23.043 28.364 1.193 247 H ALA 31 H ALA 31 23.340 27.613 5.776 248 HA ALA 31 HA ALA 31 22.313 24.990 6.092 249 HB1 ALA 31 HB1 ALA 31 22.716 25.428 8.491 250 HB2 ALA 31 HB2 ALA 31 24.070 26.008 7.498 251 HB3 ALA 31 HB3 ALA 31 22.887 27.168 8.144 252 H VAL 32 H VAL 32 20.726 28.141 6.289 253 HA VAL 32 HA VAL 32 18.438 27.202 7.803 254 HB VAL 32 HB VAL 32 18.820 29.590 5.958 255 HG11 VAL 32 HG11 VAL 32 16.650 28.983 8.008 256 HG12 VAL 32 HG12 VAL 32 16.842 30.521 7.129 257 HG13 VAL 32 HG13 VAL 32 16.430 29.040 6.242 258 HG21 VAL 32 HG21 VAL 32 19.070 30.847 8.077 259 HG22 VAL 32 HG22 VAL 32 18.963 29.326 8.993 260 HG23 VAL 32 HG23 VAL 32 20.339 29.618 7.897 261 H LYS 33 H LYS 33 19.301 27.468 4.345 262 HA LYS 33 HA LYS 33 16.702 26.722 3.344 263 HB2 LYS 33 HB2 LYS 33 18.488 27.918 2.061 264 HB3 LYS 33 HB3 LYS 33 19.457 26.436 2.079 265 HG2 LYS 33 HG2 LYS 33 17.641 25.238 0.862 266 HG3 LYS 33 HG3 LYS 33 16.677 26.722 0.865 267 HD2 LYS 33 HD2 LYS 33 17.770 26.582 -1.286 268 HD3 LYS 33 HD3 LYS 33 18.545 27.875 -0.358 269 HE2 LYS 33 HE2 LYS 33 20.258 26.570 -1.461 270 HE3 LYS 33 HE3 LYS 33 20.372 26.265 0.274 271 HZ1 LYS 33 HZ1 LYS 33 19.053 24.513 -1.696 272 HZ2 LYS 33 HZ2 LYS 33 20.504 24.234 -0.984 273 HZ3 LYS 33 HZ3 LYS 33 19.117 24.217 -0.095 274 H LYS 34 H LYS 34 19.691 24.979 4.171 275 HA LYS 34 HA LYS 34 18.857 22.419 3.193 276 HB2 LYS 34 HB2 LYS 34 20.946 23.281 5.221 277 HB3 LYS 34 HB3 LYS 34 20.799 21.624 4.603 278 HG2 LYS 34 HG2 LYS 34 21.277 22.313 2.348 279 HG3 LYS 34 HG3 LYS 34 21.151 24.034 2.771 280 HD2 LYS 34 HD2 LYS 34 23.105 23.820 4.265 281 HD3 LYS 34 HD3 LYS 34 23.268 22.105 3.814 282 HE2 LYS 34 HE2 LYS 34 23.646 22.717 1.480 283 HE3 LYS 34 HE3 LYS 34 23.314 24.417 1.830 284 HZ1 LYS 34 HZ1 LYS 34 25.556 22.873 2.963 285 HZ2 LYS 34 HZ2 LYS 34 25.670 23.952 1.727 286 HZ3 LYS 34 HZ3 LYS 34 25.245 24.469 3.221 287 H HIS 35 H HIS 35 18.140 24.144 6.190 288 HA HIS 35 HA HIS 35 17.411 21.754 7.656 289 HB2 HIS 35 HB2 HIS 35 18.051 23.957 8.672 290 HB3 HIS 35 HB3 HIS 35 16.530 24.637 8.077 291 HD1 HIS 35 HD1 HIS 35 17.649 21.703 10.383 292 HD2 HIS 35 HD2 HIS 35 14.500 24.425 9.723 293 HE1 HIS 35 HE1 HIS 35 15.963 21.348 12.286 294 HE2 HIS 35 HE2 HIS 35 14.064 23.027 11.889 295 H ILE 36 H ILE 36 15.722 24.031 5.483 296 HA ILE 36 HA ILE 36 13.082 22.990 6.056 297 HB ILE 36 HB ILE 36 14.186 24.601 3.724 298 HG12 ILE 36 HG12 ILE 36 12.595 25.484 6.171 299 HG13 ILE 36 HG13 ILE 36 14.346 25.641 6.010 300 HG21 ILE 36 HG21 ILE 36 12.092 23.433 3.091 301 HG22 ILE 36 HG22 ILE 36 11.298 24.083 4.548 302 HG23 ILE 36 HG23 ILE 36 11.824 25.174 3.255 303 HD11 ILE 36 HD11 ILE 36 14.006 27.032 3.954 304 HD12 ILE 36 HD12 ILE 36 12.247 26.997 4.264 305 HD13 ILE 36 HD13 ILE 36 13.348 27.758 5.425 306 H GLU 37 H GLU 37 15.713 22.140 3.836 307 HA GLU 37 HA GLU 37 14.178 20.386 2.164 308 HB2 GLU 37 HB2 GLU 37 17.141 20.501 2.847 309 HB3 GLU 37 HB3 GLU 37 16.449 19.469 1.580 310 HG2 GLU 37 HG2 GLU 37 15.553 21.448 0.417 311 HG3 GLU 37 HG3 GLU 37 16.176 22.503 1.691 312 H ARG 38 H ARG 38 15.715 20.002 5.332 313 HA ARG 38 HA ARG 38 15.279 17.087 5.320 314 HB2 ARG 38 HB2 ARG 38 16.342 19.014 7.421 315 HB3 ARG 38 HB3 ARG 38 16.197 17.260 7.641 316 HG2 ARG 38 HG2 ARG 38 17.701 16.870 5.725 317 HG3 ARG 38 HG3 ARG 38 17.834 18.621 5.455 318 HD2 ARG 38 HD2 ARG 38 18.801 18.906 7.707 319 HD3 ARG 38 HD3 ARG 38 18.656 17.167 8.002 320 HE ARG 38 HE ARG 38 20.565 18.526 6.179 321 HH11 ARG 38 HH11 ARG 38 19.348 15.509 7.566 322 HH12 ARG 38 HH12 ARG 38 20.756 14.588 7.083 323 HH21 ARG 38 HH21 ARG 38 22.382 17.295 5.557 324 HH22 ARG 38 HH22 ARG 38 22.469 15.598 5.960 325 H GLN 39 H GLN 39 13.481 19.912 6.080 326 HA GLN 39 HA GLN 39 11.823 18.697 8.147 327 HB2 GLN 39 HB2 GLN 39 12.264 21.077 8.205 328 HB3 GLN 39 HB3 GLN 39 11.700 21.266 6.539 329 HG2 GLN 39 HG2 GLN 39 10.004 22.061 8.123 330 HG3 GLN 39 HG3 GLN 39 9.413 20.698 7.174 331 HE21 GLN 39 HE21 GLN 39 7.810 20.264 8.769 332 HE22 GLN 39 HE22 GLN 39 8.219 19.490 10.289 333 H PHE 40 H PHE 40 11.766 19.056 4.644 334 HA PHE 40 HA PHE 40 9.148 17.652 4.597 335 HB2 PHE 40 HB2 PHE 40 9.941 20.032 2.909 336 HB3 PHE 40 HB3 PHE 40 8.509 19.043 2.642 337 HD1 PHE 40 HD1 PHE 40 9.521 22.047 3.925 338 HD2 PHE 40 HD2 PHE 40 7.126 18.651 5.045 339 HE1 PHE 40 HE1 PHE 40 8.251 23.463 5.511 340 HE2 PHE 40 HE2 PHE 40 5.872 20.065 6.640 341 HZ PHE 40 HZ PHE 40 6.433 22.471 6.875 342 H ASN 41 H ASN 41 12.209 17.104 3.991 343 HA ASN 41 HA ASN 41 13.430 15.839 2.593 344 HB2 ASN 41 HB2 ASN 41 10.752 14.560 1.955 345 HB3 ASN 41 HB3 ASN 41 12.329 13.873 1.566 346 HD21 ASN 41 HD21 ASN 41 10.472 12.495 3.146 347 HD22 ASN 41 HD22 ASN 41 11.102 12.376 4.775 348 H CYS 42 H CYS 42 11.972 18.356 1.509 349 HA CYS 42 HA CYS 42 11.954 17.861 -1.386 350 HB2 CYS 42 HB2 CYS 42 11.227 20.206 -1.461 351 HB3 CYS 42 HB3 CYS 42 10.282 19.320 -0.250 352 HG CYS 42 HG CYS 42 12.892 21.316 0.103 353 H VAL 43 H VAL 43 13.039 19.894 -2.576 354 HA VAL 43 HA VAL 43 15.737 20.447 -1.450 355 HB VAL 43 HB VAL 43 15.081 19.572 -4.290 356 HG11 VAL 43 HG11 VAL 43 16.736 21.382 -4.336 357 HG12 VAL 43 HG12 VAL 43 17.699 20.558 -3.083 358 HG13 VAL 43 HG13 VAL 43 17.519 19.836 -4.697 359 HG21 VAL 43 HG21 VAL 43 15.283 17.705 -2.708 360 HG22 VAL 43 HG22 VAL 43 16.682 17.749 -3.803 361 HG23 VAL 43 HG23 VAL 43 16.843 18.336 -2.133 362 H ILE 44 H ILE 44 16.488 22.551 -1.941 363 HA ILE 44 HA ILE 44 14.591 24.296 -3.420 364 HB ILE 44 HB ILE 44 15.802 24.865 -0.697 365 HG12 ILE 44 HG12 ILE 44 12.894 24.516 -1.524 366 HG13 ILE 44 HG13 ILE 44 13.864 23.302 -0.667 367 HG21 ILE 44 HG21 ILE 44 14.566 26.997 -0.781 368 HG22 ILE 44 HG22 ILE 44 15.694 26.903 -2.130 369 HG23 ILE 44 HG23 ILE 44 13.969 26.606 -2.410 370 HD11 ILE 44 HD11 ILE 44 14.226 24.935 1.191 371 HD12 ILE 44 HD12 ILE 44 13.100 26.053 0.378 372 HD13 ILE 44 HD13 ILE 44 12.523 24.481 0.949 373 H THR 45 H THR 45 15.514 26.001 -4.518 374 HA THR 45 HA THR 45 18.436 26.276 -4.356 375 HB THR 45 HB THR 45 17.164 26.194 -7.060 376 HG1 THR 45 HG1 THR 45 17.784 24.031 -7.149 377 HG21 THR 45 HG21 THR 45 19.399 27.145 -6.913 378 HG22 THR 45 HG22 THR 45 19.978 25.731 -5.998 379 HG23 THR 45 HG23 THR 45 19.477 25.559 -7.703 380 H VAL 46 H VAL 46 19.333 28.242 -4.663 381 HA VAL 46 HA VAL 46 17.403 30.431 -5.217 382 HB VAL 46 HB VAL 46 19.945 30.716 -3.612 383 HG11 VAL 46 HG11 VAL 46 17.456 32.449 -3.971 384 HG12 VAL 46 HG12 VAL 46 18.795 32.805 -2.864 385 HG13 VAL 46 HG13 VAL 46 19.079 32.798 -4.615 386 HG21 VAL 46 HG21 VAL 46 18.429 30.767 -1.629 387 HG22 VAL 46 HG22 VAL 46 17.086 30.261 -2.668 388 HG23 VAL 46 HG23 VAL 46 18.474 29.174 -2.416 389 H HIS 47 H HIS 47 18.019 32.171 -6.508 390 HA HIS 47 HA HIS 47 20.252 31.552 -8.373 391 HB2 HIS 47 HB2 HIS 47 17.343 32.124 -8.957 392 HB3 HIS 47 HB3 HIS 47 18.615 32.346 -10.169 393 HD1 HIS 47 HD1 HIS 47 20.155 30.029 -10.611 394 HD2 HIS 47 HD2 HIS 47 16.356 29.682 -8.837 395 HE1 HIS 47 HE1 HIS 47 19.429 27.568 -10.903 396 HE2 HIS 47 HE2 HIS 47 17.098 27.389 -9.852 397 H THR 48 H THR 48 20.962 33.213 -6.520 398 HA THR 48 HA THR 48 20.207 35.905 -6.887 399 HB THR 48 HB THR 48 21.752 36.501 -5.327 400 HG1 THR 48 HG1 THR 48 23.695 35.410 -5.029 401 HG21 THR 48 HG21 THR 48 20.280 34.728 -4.371 402 HG22 THR 48 HG22 THR 48 21.497 33.506 -4.805 403 HG23 THR 48 HG23 THR 48 21.881 34.767 -3.612 404 H GLU 49 H GLU 49 22.048 34.037 -9.037 405 HA GLU 49 HA GLU 49 23.714 36.175 -10.031 406 HB2 GLU 49 HB2 GLU 49 24.185 34.683 -11.855 407 HB3 GLU 49 HB3 GLU 49 24.271 33.774 -10.347 408 HG2 GLU 49 HG2 GLU 49 21.788 33.795 -12.113 409 HG3 GLU 49 HG3 GLU 49 23.131 32.693 -12.394 410 H VAL 50 H VAL 50 20.353 35.509 -10.232 411 HA VAL 50 HA VAL 50 19.904 36.864 -12.786 412 HB VAL 50 HB VAL 50 17.988 36.121 -10.558 413 HG11 VAL 50 HG11 VAL 50 17.491 36.935 -13.448 414 HG12 VAL 50 HG12 VAL 50 16.262 36.256 -12.357 415 HG13 VAL 50 HG13 VAL 50 16.982 37.821 -11.987 416 HG21 VAL 50 HG21 VAL 50 18.691 34.685 -13.157 417 HG22 VAL 50 HG22 VAL 50 19.137 34.141 -11.525 418 HG23 VAL 50 HG23 VAL 50 17.428 34.192 -12.008 419 H GLN 51 H GLN 51 18.810 38.905 -13.002 420 HA GLN 51 HA GLN 51 18.656 40.604 -10.604 421 HB2 GLN 51 HB2 GLN 51 20.934 40.973 -11.356 422 HB3 GLN 51 HB3 GLN 51 20.380 41.262 -13.018 423 HG2 GLN 51 HG2 GLN 51 19.184 43.281 -12.322 424 HG3 GLN 51 HG3 GLN 51 19.545 42.950 -10.625 425 HE21 GLN 51 HE21 GLN 51 20.282 45.354 -11.182 426 HE22 GLN 51 HE22 GLN 51 21.997 45.495 -11.504 427 H SER 52 H SER 52 16.845 41.678 -10.620 428 HA SER 52 HA SER 52 15.617 42.471 -13.215 429 HB2 SER 52 HB2 SER 52 14.234 41.225 -10.815 430 HB3 SER 52 HB3 SER 52 13.391 42.005 -12.171 431 HG SER 52 HG SER 52 13.623 39.732 -12.438 432 H SER 53 H SER 53 14.193 44.320 -13.095 433 HA SER 53 HA SER 53 15.455 46.440 -11.663 434 HB2 SER 53 HB2 SER 53 12.820 46.325 -13.181 435 HB3 SER 53 HB3 SER 53 13.642 47.815 -12.657 436 HG SER 53 HG SER 53 15.355 47.301 -13.991 437 H PHE 54 H PHE 54 12.894 44.272 -10.739 438 HA PHE 54 HA PHE 54 11.842 46.155 -8.809 439 HB2 PHE 54 HB2 PHE 54 10.358 44.180 -8.133 440 HB3 PHE 54 HB3 PHE 54 10.098 45.097 -9.613 441 HD1 PHE 54 HD1 PHE 54 11.997 42.061 -8.487 442 HD2 PHE 54 HD2 PHE 54 9.700 43.966 -11.578 443 HE1 PHE 54 HE1 PHE 54 12.075 39.973 -9.834 444 HE2 PHE 54 HE2 PHE 54 9.782 41.880 -12.927 445 HZ PHE 54 HZ PHE 54 10.969 39.884 -12.052 446 H GLY 55 H GLY 55 14.628 44.539 -8.629 447 HA2 GLY 55 HA2 GLY 55 16.054 44.390 -6.834 448 HA3 GLY 55 HA3 GLY 55 14.819 45.159 -5.826 449 H ALA 56 H ALA 56 14.773 42.035 -7.654 450 HA ALA 56 HA ALA 56 14.572 40.597 -5.068 451 HB1 ALA 56 HB1 ALA 56 12.619 40.311 -7.378 452 HB2 ALA 56 HB2 ALA 56 12.610 39.366 -5.873 453 HB3 ALA 56 HB3 ALA 56 12.271 41.107 -5.820 454 H THR 57 H THR 57 14.609 38.197 -5.405 455 HA THR 57 HA THR 57 16.309 37.346 -7.712 456 HB THR 57 HB THR 57 16.722 37.116 -4.709 457 HG1 THR 57 HG1 THR 57 17.878 38.665 -5.887 458 HG21 THR 57 HG21 THR 57 16.753 34.794 -5.459 459 HG22 THR 57 HG22 THR 57 17.826 35.218 -6.819 460 HG23 THR 57 HG23 THR 57 18.409 35.338 -5.137 461 HA PRO 58 HA PRO 58 12.992 34.319 -7.443 462 HB2 PRO 58 HB2 PRO 58 13.618 32.774 -9.565 463 HB3 PRO 58 HB3 PRO 58 13.078 34.476 -9.769 464 HG2 PRO 58 HG2 PRO 58 15.904 33.396 -9.776 465 HG3 PRO 58 HG3 PRO 58 15.149 34.540 -10.933 466 HD2 PRO 58 HD2 PRO 58 16.698 35.333 -8.779 467 HD3 PRO 58 HD3 PRO 58 15.378 36.333 -9.448 468 H VAL 59 H VAL 59 12.669 32.182 -6.785 469 HA VAL 59 HA VAL 59 15.039 30.520 -6.319 470 HB VAL 59 HB VAL 59 14.766 30.113 -4.124 471 HG11 VAL 59 HG11 VAL 59 15.239 32.555 -4.380 472 HG12 VAL 59 HG12 VAL 59 13.491 32.877 -4.271 473 HG13 VAL 59 HG13 VAL 59 14.348 32.173 -2.891 474 HG21 VAL 59 HG21 VAL 59 11.849 30.939 -4.334 475 HG22 VAL 59 HG22 VAL 59 12.490 29.281 -4.154 476 HG23 VAL 59 HG23 VAL 59 12.677 30.439 -2.836 477 H GLU 60 H GLU 60 14.558 28.215 -5.956 478 HA GLU 60 HA GLU 60 12.049 27.392 -7.330 479 HB2 GLU 60 HB2 GLU 60 14.904 26.587 -7.936 480 HB3 GLU 60 HB3 GLU 60 13.492 25.657 -8.489 481 HG2 GLU 60 HG2 GLU 60 12.640 27.553 -9.729 482 HG3 GLU 60 HG3 GLU 60 13.902 28.614 -9.078 483 H ILE 61 H ILE 61 11.353 25.224 -6.881 484 HA ILE 61 HA ILE 61 12.609 23.914 -4.534 485 HB ILE 61 HB ILE 61 9.643 24.489 -4.798 486 HG12 ILE 61 HG12 ILE 61 11.723 25.798 -2.996 487 HG13 ILE 61 HG13 ILE 61 10.867 26.563 -4.350 488 HG21 ILE 61 HG21 ILE 61 9.487 23.597 -2.520 489 HG22 ILE 61 HG22 ILE 61 10.160 22.393 -3.614 490 HG23 ILE 61 HG23 ILE 61 11.239 23.282 -2.507 491 HD11 ILE 61 HD11 ILE 61 9.609 25.564 -1.770 492 HD12 ILE 61 HD12 ILE 61 9.818 27.244 -2.290 493 HD13 ILE 61 HD13 ILE 61 8.707 26.171 -3.182 494 H VAL 62 H VAL 62 12.274 21.668 -4.457 495 HA VAL 62 HA VAL 62 10.729 20.426 -6.651 496 HB VAL 62 HB VAL 62 13.612 19.717 -6.015 497 HG11 VAL 62 HG11 VAL 62 13.384 18.222 -7.989 498 HG12 VAL 62 HG12 VAL 62 12.289 17.752 -6.675 499 HG13 VAL 62 HG13 VAL 62 11.658 18.638 -8.084 500 HG21 VAL 62 HG21 VAL 62 14.091 20.502 -8.304 501 HG22 VAL 62 HG22 VAL 62 12.406 21.060 -8.461 502 HG23 VAL 62 HG23 VAL 62 13.503 21.815 -7.276 503 H ALA 63 H ALA 63 9.766 18.506 -6.108 504 HA ALA 63 HA ALA 63 10.612 16.943 -3.803 505 HB1 ALA 63 HB1 ALA 63 9.313 18.767 -2.698 506 HB2 ALA 63 HB2 ALA 63 7.920 18.367 -3.738 507 HB3 ALA 63 HB3 ALA 63 8.513 17.193 -2.549 508 H GLN 64 H GLN 64 9.077 15.031 -3.509 509 HA GLN 64 HA GLN 64 8.566 13.888 -6.118 510 HB2 GLN 64 HB2 GLN 64 7.777 12.890 -3.343 511 HB3 GLN 64 HB3 GLN 64 7.818 11.929 -4.833 512 HG2 GLN 64 HG2 GLN 64 10.178 13.208 -3.409 513 HG3 GLN 64 HG3 GLN 64 9.797 11.485 -3.507 514 HE21 GLN 64 HE21 GLN 64 9.082 11.289 -6.256 515 HE22 GLN 64 HE22 GLN 64 10.514 11.588 -7.222 516 H ASN 65 H ASN 65 6.673 15.837 -3.967 517 HA ASN 65 HA ASN 65 4.308 15.516 -5.636 518 HB2 ASN 65 HB2 ASN 65 2.859 14.780 -3.735 519 HB3 ASN 65 HB3 ASN 65 4.047 13.576 -4.235 520 HD21 ASN 65 HD21 ASN 65 4.100 12.441 -2.289 521 HD22 ASN 65 HD22 ASN 65 4.783 13.126 -0.828 522 H LYS 66 H LYS 66 2.511 16.983 -4.889 523 HA LYS 66 HA LYS 66 3.625 19.554 -4.183 524 HB2 LYS 66 HB2 LYS 66 0.727 18.652 -4.434 525 HB3 LYS 66 HB3 LYS 66 1.291 20.330 -4.324 526 HG2 LYS 66 HG2 LYS 66 2.633 19.970 -6.424 527 HG3 LYS 66 HG3 LYS 66 1.890 18.359 -6.565 528 HD2 LYS 66 HD2 LYS 66 -0.363 19.434 -6.548 529 HD3 LYS 66 HD3 LYS 66 0.412 21.031 -6.490 530 HE2 LYS 66 HE2 LYS 66 0.697 18.974 -8.722 531 HE3 LYS 66 HE3 LYS 66 -0.290 20.442 -8.773 532 HZ1 LYS 66 HZ1 LYS 66 1.762 21.705 -8.459 533 HZ2 LYS 66 HZ2 LYS 66 2.638 20.309 -8.589 534 HZ3 LYS 66 HZ3 LYS 66 1.755 20.841 -9.856 535 H GLU 67 H GLU 67 2.469 16.888 -2.336 536 HA GLU 67 HA GLU 67 1.480 18.338 -0.053 537 HB2 GLU 67 HB2 GLU 67 2.555 15.497 -0.286 538 HB3 GLU 67 HB3 GLU 67 1.629 16.159 1.076 539 HG2 GLU 67 HG2 GLU 67 -0.256 16.655 -0.494 540 HG3 GLU 67 HG3 GLU 67 0.655 15.864 -1.793 541 H GLN 68 H GLN 68 4.589 18.158 -1.320 542 HA GLN 68 HA GLN 68 5.744 18.894 1.334 543 HB2 GLN 68 HB2 GLN 68 6.949 17.167 -0.852 544 HB3 GLN 68 HB3 GLN 68 7.871 17.829 0.512 545 HG2 GLN 68 HG2 GLN 68 6.504 16.595 2.102 546 HG3 GLN 68 HG3 GLN 68 5.435 16.020 0.808 547 HE21 GLN 68 HE21 GLN 68 6.586 14.169 2.473 548 HE22 GLN 68 HE22 GLN 68 7.816 13.272 1.608 549 H CYS 69 H CYS 69 5.503 19.447 -2.166 550 HA CYS 69 HA CYS 69 7.704 21.325 -2.263 551 HB2 CYS 69 HB2 CYS 69 6.657 19.962 -4.179 552 HB3 CYS 69 HB3 CYS 69 5.307 21.122 -4.131 553 HG CYS 69 HG CYS 69 6.919 21.711 -6.091 554 H GLN 70 H GLN 70 4.151 21.531 -1.784 555 HA GLN 70 HA GLN 70 4.100 24.431 -1.830 556 HB2 GLN 70 HB2 GLN 70 2.147 22.383 -0.714 557 HB3 GLN 70 HB3 GLN 70 1.814 24.109 -0.873 558 HG2 GLN 70 HG2 GLN 70 2.530 22.282 -3.216 559 HG3 GLN 70 HG3 GLN 70 0.877 22.636 -2.711 560 HE21 GLN 70 HE21 GLN 70 1.268 23.235 -5.220 561 HE22 GLN 70 HE22 GLN 70 1.530 24.945 -5.487 562 H GLU 71 H GLU 71 4.627 21.942 0.661 563 HA GLU 71 HA GLU 71 4.167 23.751 2.878 564 HB2 GLU 71 HB2 GLU 71 5.753 21.151 2.740 565 HB3 GLU 71 HB3 GLU 71 5.156 21.929 4.217 566 HG2 GLU 71 HG2 GLU 71 3.421 20.800 1.978 567 HG3 GLU 71 HG3 GLU 71 3.748 20.021 3.527 568 H ALA 72 H ALA 72 6.939 22.833 0.864 569 HA ALA 72 HA ALA 72 8.882 24.227 2.522 570 HB1 ALA 72 HB1 ALA 72 10.390 23.720 0.626 571 HB2 ALA 72 HB2 ALA 72 9.458 22.287 1.125 572 HB3 ALA 72 HB3 ALA 72 8.998 23.188 -0.338 573 H ARG 73 H ARG 73 6.679 25.063 -0.095 574 HA ARG 73 HA ARG 73 7.983 27.544 -0.854 575 HB2 ARG 73 HB2 ARG 73 6.540 26.551 -2.460 576 HB3 ARG 73 HB3 ARG 73 5.269 26.266 -1.266 577 HG2 ARG 73 HG2 ARG 73 4.664 28.082 -2.787 578 HG3 ARG 73 HG3 ARG 73 4.785 28.658 -1.125 579 HD2 ARG 73 HD2 ARG 73 7.070 29.536 -1.614 580 HD3 ARG 73 HD3 ARG 73 6.927 28.959 -3.278 581 HE ARG 73 HE ARG 73 5.697 31.338 -2.115 582 HH11 ARG 73 HH11 ARG 73 5.472 28.932 -4.629 583 HH12 ARG 73 HH12 ARG 73 4.504 29.927 -5.707 584 HH21 ARG 73 HH21 ARG 73 4.414 32.657 -3.485 585 HH22 ARG 73 HH22 ARG 73 3.909 32.054 -5.042 586 H ASN 74 H ASN 74 5.118 26.742 1.135 587 HA ASN 74 HA ASN 74 4.690 29.442 1.993 588 HB2 ASN 74 HB2 ASN 74 3.702 26.725 2.904 589 HB3 ASN 74 HB3 ASN 74 3.231 28.226 3.729 590 HD21 ASN 74 HD21 ASN 74 2.615 26.152 1.060 591 HD22 ASN 74 HD22 ASN 74 1.447 27.174 0.246 592 H ALA 75 H ALA 75 7.055 27.139 2.940 593 HA ALA 75 HA ALA 75 7.411 28.224 5.626 594 HB1 ALA 75 HB1 ALA 75 9.331 26.666 5.685 595 HB2 ALA 75 HB2 ALA 75 7.838 25.857 5.160 596 HB3 ALA 75 HB3 ALA 75 9.073 26.299 3.958 597 H VAL 76 H VAL 76 8.157 29.409 2.556 598 HA VAL 76 HA VAL 76 10.510 30.875 3.630 599 HB VAL 76 HB VAL 76 10.144 29.913 0.772 600 HG11 VAL 76 HG11 VAL 76 11.517 31.936 0.845 601 HG12 VAL 76 HG12 VAL 76 12.475 31.272 2.197 602 HG13 VAL 76 HG13 VAL 76 12.552 30.531 0.579 603 HG21 VAL 76 HG21 VAL 76 11.979 28.925 2.997 604 HG22 VAL 76 HG22 VAL 76 10.587 28.040 2.344 605 HG23 VAL 76 HG23 VAL 76 11.994 28.363 1.312 606 H MET 77 H MET 77 7.326 31.184 2.532 607 HA MET 77 HA MET 77 7.717 33.748 1.197 608 HB2 MET 77 HB2 MET 77 5.261 32.216 2.134 609 HB3 MET 77 HB3 MET 77 5.167 33.802 1.345 610 HG2 MET 77 HG2 MET 77 6.454 31.326 0.129 611 HG3 MET 77 HG3 MET 77 4.829 31.908 -0.217 612 HE1 MET 77 HE1 MET 77 8.682 33.170 -2.196 613 HE2 MET 77 HE2 MET 77 8.646 32.550 -0.531 614 HE3 MET 77 HE3 MET 77 8.013 31.556 -1.871 615 H SER 78 H SER 78 7.481 32.785 4.508 616 HA SER 78 HA SER 78 7.569 35.600 5.297 617 HB2 SER 78 HB2 SER 78 5.158 35.315 5.058 618 HB3 SER 78 HB3 SER 78 5.207 33.837 6.042 619 HG SER 78 HG SER 78 4.590 35.701 7.241 620 H LEU 79 H LEU 79 7.361 32.146 6.267 621 HA LEU 79 HA LEU 79 8.349 32.686 8.942 622 HB2 LEU 79 HB2 LEU 79 8.284 30.092 7.344 623 HB3 LEU 79 HB3 LEU 79 8.554 30.241 9.088 624 HG LEU 79 HG LEU 79 6.013 31.027 7.588 625 HD11 LEU 79 HD11 LEU 79 6.387 28.589 7.776 626 HD12 LEU 79 HD12 LEU 79 6.602 28.758 9.532 627 HD13 LEU 79 HD13 LEU 79 5.025 29.123 8.790 628 HD21 LEU 79 HD21 LEU 79 6.693 31.061 10.561 629 HD22 LEU 79 HD22 LEU 79 6.357 32.482 9.538 630 HD23 LEU 79 HD23 LEU 79 5.069 31.316 9.875 631 H MET 80 H MET 80 9.781 31.521 5.887 632 HA MET 80 HA MET 80 11.897 31.252 5.181 633 HB2 MET 80 HB2 MET 80 12.441 33.751 6.824 634 HB3 MET 80 HB3 MET 80 13.328 33.173 5.397 635 HG2 MET 80 HG2 MET 80 11.108 33.294 4.139 636 HG3 MET 80 HG3 MET 80 10.456 34.149 5.543 637 HE1 MET 80 HE1 MET 80 12.528 34.229 2.343 638 HE2 MET 80 HE2 MET 80 13.536 35.678 2.479 639 HE3 MET 80 HE3 MET 80 13.878 34.265 3.507 640 H GLN 81 H GLN 81 11.217 29.954 7.815 641 HA GLN 81 HA GLN 81 12.151 28.912 9.562 642 HB2 GLN 81 HB2 GLN 81 13.043 27.616 7.719 643 HB3 GLN 81 HB3 GLN 81 14.441 28.678 7.584 644 HG2 GLN 81 HG2 GLN 81 14.888 26.499 8.721 645 HG3 GLN 81 HG3 GLN 81 15.340 27.897 9.691 646 HE21 GLN 81 HE21 GLN 81 12.058 26.481 9.139 647 HE22 GLN 81 HE22 GLN 81 11.759 26.134 10.828 648 H SER 82 H SER 82 12.441 31.848 9.421 649 HA SER 82 HA SER 82 14.580 32.125 11.473 650 HB2 SER 82 HB2 SER 82 13.996 34.037 9.180 651 HB3 SER 82 HB3 SER 82 15.137 34.332 10.510 652 HG SER 82 HG SER 82 15.257 32.260 8.575 653 H HIS 83 H HIS 83 11.331 32.306 10.798 654 HA HIS 83 HA HIS 83 10.886 34.275 12.981 655 HB2 HIS 83 HB2 HIS 83 9.209 33.959 10.476 656 HB3 HIS 83 HB3 HIS 83 8.895 35.077 11.806 657 HD1 HIS 83 HD1 HIS 83 9.779 35.627 8.547 658 HD2 HIS 83 HD2 HIS 83 11.814 36.345 12.165 659 HE1 HIS 83 HE1 HIS 83 11.493 37.479 8.061 660 HE2 HIS 83 HE2 HIS 83 12.715 37.918 10.270 661 H GLN 84 H GLN 84 10.856 31.120 12.434 662 HA GLN 84 HA GLN 84 8.161 30.313 12.904 663 HB2 GLN 84 HB2 GLN 84 9.847 28.860 11.924 664 HB3 GLN 84 HB3 GLN 84 10.815 28.911 13.412 665 HG2 GLN 84 HG2 GLN 84 9.100 27.712 14.651 666 HG3 GLN 84 HG3 GLN 84 7.959 27.866 13.303 667 HE21 GLN 84 HE21 GLN 84 8.088 25.399 14.049 668 HE22 GLN 84 HE22 GLN 84 9.142 24.421 13.044 669 H ASP 85 H ASP 85 10.535 31.703 15.017 670 HA ASP 85 HA ASP 85 9.402 30.562 17.421 671 HB2 ASP 85 HB2 ASP 85 10.990 32.187 18.578 672 HB3 ASP 85 HB3 ASP 85 11.664 30.873 17.622 673 H LYS 86 H LYS 86 8.072 32.735 15.449 674 HA LYS 86 HA LYS 86 7.283 34.840 17.217 675 HB2 LYS 86 HB2 LYS 86 7.210 35.064 14.780 676 HB3 LYS 86 HB3 LYS 86 6.048 33.739 14.663 677 HG2 LYS 86 HG2 LYS 86 4.904 35.877 14.439 678 HG3 LYS 86 HG3 LYS 86 4.375 35.058 15.916 679 HD2 LYS 86 HD2 LYS 86 5.894 36.485 17.259 680 HD3 LYS 86 HD3 LYS 86 6.484 37.258 15.778 681 HE2 LYS 86 HE2 LYS 86 4.812 38.670 16.862 682 HE3 LYS 86 HE3 LYS 86 4.198 38.090 15.306 683 HZ1 LYS 86 HZ1 LYS 86 3.540 36.943 17.941 684 HZ2 LYS 86 HZ2 LYS 86 2.553 37.906 17.046 685 HZ3 LYS 86 HZ3 LYS 86 2.957 36.409 16.502 Start of MODEL 17 1 H1 SER 1 H SER 1 13.335 -4.480 -12.480 2 HA SER 1 HA SER 1 13.625 -3.418 -14.592 3 HB2 SER 1 HB2 SER 1 11.407 -2.412 -14.784 4 HB3 SER 1 HB3 SER 1 11.329 -3.872 -13.772 5 HG SER 1 HG SER 1 10.227 -2.007 -12.902 6 H GLY 2 H GLY 2 13.565 -1.398 -15.821 7 HA2 GLY 2 HA2 GLY 2 15.279 0.609 -14.629 8 HA3 GLY 2 HA3 GLY 2 14.589 0.616 -16.268 9 H SER 3 H SER 3 11.829 0.191 -14.763 10 HA SER 3 HA SER 3 11.170 3.018 -14.717 11 HB2 SER 3 HB2 SER 3 8.895 2.208 -14.289 12 HB3 SER 3 HB3 SER 3 9.638 1.318 -15.635 13 HG SER 3 HG SER 3 8.586 -0.048 -14.096 14 H HIS 4 H HIS 4 12.587 1.004 -12.444 15 HA HIS 4 HA HIS 4 12.913 1.038 -10.221 16 HB2 HIS 4 HB2 HIS 4 12.098 3.943 -10.535 17 HB3 HIS 4 HB3 HIS 4 12.790 3.249 -9.071 18 HD1 HIS 4 HD1 HIS 4 13.937 3.285 -12.811 19 HD2 HIS 4 HD2 HIS 4 15.295 3.702 -8.844 20 HE1 HIS 4 HE1 HIS 4 16.448 3.770 -12.948 21 HE2 HIS 4 HE2 HIS 4 17.272 4.011 -10.530 22 H MET 5 H MET 5 11.958 1.472 -8.004 23 HA MET 5 HA MET 5 9.341 0.264 -7.933 24 HB2 MET 5 HB2 MET 5 9.628 0.278 -5.549 25 HB3 MET 5 HB3 MET 5 11.163 -0.198 -6.283 26 HG2 MET 5 HG2 MET 5 10.460 2.583 -5.260 27 HG3 MET 5 HG3 MET 5 11.406 1.388 -4.379 28 HE1 MET 5 HE1 MET 5 13.837 0.665 -4.920 29 HE2 MET 5 HE2 MET 5 13.338 0.124 -6.537 30 HE3 MET 5 HE3 MET 5 14.750 1.195 -6.354 31 H LYS 6 H LYS 6 10.325 3.478 -8.379 32 HA LYS 6 HA LYS 6 7.608 4.457 -7.911 33 HB2 LYS 6 HB2 LYS 6 8.633 4.677 -5.690 34 HB3 LYS 6 HB3 LYS 6 9.996 5.577 -6.381 35 HG2 LYS 6 HG2 LYS 6 8.475 7.367 -7.107 36 HG3 LYS 6 HG3 LYS 6 7.081 6.458 -6.488 37 HD2 LYS 6 HD2 LYS 6 9.418 7.502 -4.822 38 HD3 LYS 6 HD3 LYS 6 7.810 8.244 -4.928 39 HE2 LYS 6 HE2 LYS 6 6.792 6.173 -4.024 40 HE3 LYS 6 HE3 LYS 6 8.405 5.450 -3.867 41 HZ1 LYS 6 HZ1 LYS 6 7.476 7.885 -2.495 42 HZ2 LYS 6 HZ2 LYS 6 7.675 6.407 -1.811 43 HZ3 LYS 6 HZ3 LYS 6 8.983 7.230 -2.367 44 H THR 7 H THR 7 7.177 6.367 -9.086 45 HA THR 7 HA THR 7 8.718 6.650 -11.415 46 HB THR 7 HB THR 7 6.781 8.776 -10.644 47 HG1 THR 7 HG1 THR 7 5.138 7.361 -11.216 48 HG21 THR 7 HG21 THR 7 7.891 8.873 -12.848 49 HG22 THR 7 HG22 THR 7 7.340 7.217 -13.207 50 HG23 THR 7 HG23 THR 7 6.158 8.533 -13.016 51 H CYS 8 H CYS 8 10.075 8.097 -12.296 52 HA CYS 8 HA CYS 8 11.764 9.537 -10.429 53 HB2 CYS 8 HB2 CYS 8 13.053 10.066 -12.501 54 HB3 CYS 8 HB3 CYS 8 12.757 8.325 -12.253 55 HG CYS 8 HG CYS 8 11.195 10.487 -14.196 56 H VAL 9 H VAL 9 8.842 10.406 -11.840 57 HA VAL 9 HA VAL 9 9.468 13.066 -12.672 58 HB VAL 9 HB VAL 9 7.475 11.696 -13.360 59 HG11 VAL 9 HG11 VAL 9 6.783 10.963 -11.078 60 HG12 VAL 9 HG12 VAL 9 6.357 12.645 -10.684 61 HG13 VAL 9 HG13 VAL 9 5.474 11.777 -11.958 62 HG21 VAL 9 HG21 VAL 9 7.686 14.131 -13.806 63 HG22 VAL 9 HG22 VAL 9 6.002 13.632 -13.555 64 HG23 VAL 9 HG23 VAL 9 6.870 14.471 -12.257 65 H VAL 10 H VAL 10 9.061 15.073 -11.694 66 HA VAL 10 HA VAL 10 8.593 15.096 -8.772 67 HB VAL 10 HB VAL 10 10.536 16.504 -8.362 68 HG11 VAL 10 HG11 VAL 10 12.292 14.845 -8.564 69 HG12 VAL 10 HG12 VAL 10 10.769 14.033 -8.141 70 HG13 VAL 10 HG13 VAL 10 11.380 13.969 -9.814 71 HG21 VAL 10 HG21 VAL 10 10.776 17.550 -10.581 72 HG22 VAL 10 HG22 VAL 10 12.293 16.793 -10.068 73 HG23 VAL 10 HG23 VAL 10 11.272 15.983 -11.273 74 H GLU 11 H GLU 11 7.986 17.102 -7.941 75 HA GLU 11 HA GLU 11 6.600 18.830 -9.885 76 HB2 GLU 11 HB2 GLU 11 6.565 18.559 -6.861 77 HB3 GLU 11 HB3 GLU 11 5.663 19.817 -7.702 78 HG2 GLU 11 HG2 GLU 11 5.354 16.826 -8.205 79 HG3 GLU 11 HG3 GLU 11 4.284 17.805 -7.199 80 H LYS 12 H LYS 12 6.688 21.173 -9.643 81 HA LYS 12 HA LYS 12 9.171 22.236 -8.467 82 HB2 LYS 12 HB2 LYS 12 8.518 22.202 -11.408 83 HB3 LYS 12 HB3 LYS 12 9.373 23.587 -10.713 84 HG2 LYS 12 HG2 LYS 12 11.071 22.106 -9.749 85 HG3 LYS 12 HG3 LYS 12 10.289 20.689 -10.504 86 HD2 LYS 12 HD2 LYS 12 10.672 21.621 -12.729 87 HD3 LYS 12 HD3 LYS 12 11.333 23.118 -12.019 88 HE2 LYS 12 HE2 LYS 12 13.165 21.854 -10.987 89 HE3 LYS 12 HE3 LYS 12 12.511 20.338 -11.632 90 HZ1 LYS 12 HZ1 LYS 12 14.273 21.183 -12.996 91 HZ2 LYS 12 HZ2 LYS 12 12.867 21.215 -13.844 92 HZ3 LYS 12 HZ3 LYS 12 13.490 22.610 -13.234 93 H ILE 13 H ILE 13 9.200 24.390 -8.023 94 HA ILE 13 HA ILE 13 6.851 26.063 -8.629 95 HB ILE 13 HB ILE 13 7.864 25.476 -5.820 96 HG12 ILE 13 HG12 ILE 13 5.117 25.078 -7.088 97 HG13 ILE 13 HG13 ILE 13 6.275 23.793 -6.690 98 HG21 ILE 13 HG21 ILE 13 5.846 27.549 -6.772 99 HG22 ILE 13 HG22 ILE 13 6.171 27.140 -5.073 100 HG23 ILE 13 HG23 ILE 13 7.446 27.867 -6.042 101 HD11 ILE 13 HD11 ILE 13 4.827 25.608 -4.729 102 HD12 ILE 13 HD12 ILE 13 4.655 23.854 -4.932 103 HD13 ILE 13 HD13 ILE 13 6.164 24.528 -4.277 104 H LYS 14 H LYS 14 7.357 28.324 -8.468 105 HA LYS 14 HA LYS 14 10.177 29.008 -7.918 106 HB2 LYS 14 HB2 LYS 14 10.109 28.566 -10.316 107 HB3 LYS 14 HB3 LYS 14 8.692 29.623 -10.496 108 HG2 LYS 14 HG2 LYS 14 10.040 31.573 -9.789 109 HG3 LYS 14 HG3 LYS 14 11.457 30.514 -9.584 110 HD2 LYS 14 HD2 LYS 14 11.351 29.932 -11.988 111 HD3 LYS 14 HD3 LYS 14 9.942 30.994 -12.186 112 HE2 LYS 14 HE2 LYS 14 11.305 32.933 -11.433 113 HE3 LYS 14 HE3 LYS 14 12.711 31.866 -11.266 114 HZ1 LYS 14 HZ1 LYS 14 12.574 31.409 -13.613 115 HZ2 LYS 14 HZ2 LYS 14 11.264 32.399 -13.767 116 HZ3 LYS 14 HZ3 LYS 14 12.725 33.026 -13.360 117 H GLN 15 H GLN 15 10.452 31.030 -7.032 118 HA GLN 15 HA GLN 15 8.335 33.020 -7.178 119 HB2 GLN 15 HB2 GLN 15 7.402 31.565 -5.463 120 HB3 GLN 15 HB3 GLN 15 8.925 31.584 -4.563 121 HG2 GLN 15 HG2 GLN 15 7.216 33.114 -3.587 122 HG3 GLN 15 HG3 GLN 15 8.692 33.950 -4.068 123 HE21 GLN 15 HE21 GLN 15 7.884 35.989 -4.507 124 HE22 GLN 15 HE22 GLN 15 6.696 36.316 -5.753 125 H TRP 16 H TRP 16 8.955 35.071 -6.344 126 HA TRP 16 HA TRP 16 11.889 35.444 -6.265 127 HB2 TRP 16 HB2 TRP 16 9.597 37.415 -6.588 128 HB3 TRP 16 HB3 TRP 16 11.316 37.776 -6.769 129 HD1 TRP 16 HD1 TRP 16 8.489 35.851 -8.508 130 HE1 TRP 16 HE1 TRP 16 9.078 35.489 -10.968 131 HE3 TRP 16 HE3 TRP 16 13.239 37.760 -8.486 132 HZ2 TRP 16 HZ2 TRP 16 11.326 35.985 -12.721 133 HZ3 TRP 16 HZ3 TRP 16 14.559 37.825 -10.564 134 HH2 TRP 16 HH2 TRP 16 13.633 36.938 -12.681 135 H ILE 17 H ILE 17 12.892 36.748 -4.713 136 HA ILE 17 HA ILE 17 11.294 37.731 -2.428 137 HB ILE 17 HB ILE 17 13.297 36.990 -0.962 138 HG12 ILE 17 HG12 ILE 17 13.505 34.858 -3.125 139 HG13 ILE 17 HG13 ILE 17 14.664 36.184 -2.925 140 HG21 ILE 17 HG21 ILE 17 11.354 34.878 -1.961 141 HG22 ILE 17 HG22 ILE 17 12.175 34.913 -0.383 142 HG23 ILE 17 HG23 ILE 17 10.966 36.148 -0.778 143 HD11 ILE 17 HD11 ILE 17 15.537 34.207 -1.814 144 HD12 ILE 17 HD12 ILE 17 15.104 35.428 -0.593 145 HD13 ILE 17 HD13 ILE 17 14.042 34.026 -0.872 146 HA PRO 18 HA PRO 18 13.741 41.240 -3.470 147 HB2 PRO 18 HB2 PRO 18 13.559 42.727 -1.157 148 HB3 PRO 18 HB3 PRO 18 12.205 42.524 -2.319 149 HG2 PRO 18 HG2 PRO 18 12.725 40.956 0.225 150 HG3 PRO 18 HG3 PRO 18 11.191 41.721 -0.308 151 HD2 PRO 18 HD2 PRO 18 11.649 39.083 -0.721 152 HD3 PRO 18 HD3 PRO 18 10.847 40.069 -1.980 153 H THR 19 H THR 19 15.887 41.945 -3.253 154 HA THR 19 HA THR 19 17.595 40.048 -2.140 155 HB THR 19 HB THR 19 18.681 42.740 -2.809 156 HG1 THR 19 HG1 THR 19 18.455 42.194 -4.989 157 HG21 THR 19 HG21 THR 19 20.372 41.305 -3.949 158 HG22 THR 19 HG22 THR 19 20.231 40.908 -2.229 159 HG23 THR 19 HG23 THR 19 19.467 39.858 -3.440 160 H THR 20 H THR 20 16.038 42.490 -0.439 161 HA THR 20 HA THR 20 18.100 42.888 1.530 162 HB THR 20 HB THR 20 16.282 44.529 0.876 163 HG1 THR 20 HG1 THR 20 16.255 45.314 2.990 164 HG21 THR 20 HG21 THR 20 14.191 44.404 2.148 165 HG22 THR 20 HG22 THR 20 14.356 42.955 1.137 166 HG23 THR 20 HG23 THR 20 14.693 42.862 2.883 167 H GLU 21 H GLU 21 16.162 40.201 0.995 168 HA GLU 21 HA GLU 21 16.760 39.326 3.751 169 HB2 GLU 21 HB2 GLU 21 14.585 38.360 4.090 170 HB3 GLU 21 HB3 GLU 21 14.409 40.081 3.718 171 HG2 GLU 21 HG2 GLU 21 13.888 39.473 1.342 172 HG3 GLU 21 HG3 GLU 21 13.984 37.764 1.779 173 H VAL 22 H VAL 22 17.424 38.779 0.597 174 HA VAL 22 HA VAL 22 17.150 35.925 0.395 175 HB VAL 22 HB VAL 22 19.155 37.921 -0.742 176 HG11 VAL 22 HG11 VAL 22 19.736 36.140 -2.389 177 HG12 VAL 22 HG12 VAL 22 20.243 35.727 -0.748 178 HG13 VAL 22 HG13 VAL 22 18.778 34.983 -1.443 179 HG21 VAL 22 HG21 VAL 22 16.760 38.113 -1.474 180 HG22 VAL 22 HG22 VAL 22 17.871 37.687 -2.789 181 HG23 VAL 22 HG23 VAL 22 16.844 36.433 -2.053 182 H GLY 23 H GLY 23 19.249 38.071 2.227 183 HA2 GLY 23 HA2 GLY 23 21.359 36.198 2.756 184 HA3 GLY 23 HA3 GLY 23 20.989 37.675 3.670 185 H LYS 24 H LYS 24 18.090 36.379 3.912 186 HA LYS 24 HA LYS 24 18.587 35.123 6.490 187 HB2 LYS 24 HB2 LYS 24 16.024 35.389 4.865 188 HB3 LYS 24 HB3 LYS 24 16.135 34.923 6.563 189 HG2 LYS 24 HG2 LYS 24 16.933 37.613 5.390 190 HG3 LYS 24 HG3 LYS 24 15.481 37.261 6.342 191 HD2 LYS 24 HD2 LYS 24 16.945 36.619 8.273 192 HD3 LYS 24 HD3 LYS 24 18.367 37.079 7.311 193 HE2 LYS 24 HE2 LYS 24 17.804 38.929 8.748 194 HE3 LYS 24 HE3 LYS 24 17.439 39.372 7.073 195 HZ1 LYS 24 HZ1 LYS 24 15.506 38.492 9.105 196 HZ2 LYS 24 HZ2 LYS 24 15.673 40.015 8.536 197 HZ3 LYS 24 HZ3 LYS 24 15.121 38.825 7.540 198 H ILE 25 H ILE 25 18.750 33.986 3.301 199 HA ILE 25 HA ILE 25 18.115 31.208 4.199 200 HB ILE 25 HB ILE 25 18.063 32.316 1.374 201 HG12 ILE 25 HG12 ILE 25 15.674 31.836 3.198 202 HG13 ILE 25 HG13 ILE 25 16.317 33.424 2.734 203 HG21 ILE 25 HG21 ILE 25 17.021 29.712 2.567 204 HG22 ILE 25 HG22 ILE 25 16.852 30.201 0.865 205 HG23 ILE 25 HG23 ILE 25 18.456 29.898 1.530 206 HD11 ILE 25 HD11 ILE 25 14.458 32.950 1.291 207 HD12 ILE 25 HD12 ILE 25 15.957 32.829 0.333 208 HD13 ILE 25 HD13 ILE 25 15.109 31.358 0.865 209 H LEU 26 H LEU 26 20.499 33.374 2.744 210 HA LEU 26 HA LEU 26 22.263 31.018 2.257 211 HB2 LEU 26 HB2 LEU 26 22.321 33.738 0.913 212 HB3 LEU 26 HB3 LEU 26 23.312 32.330 0.507 213 HG LEU 26 HG LEU 26 20.275 32.507 0.221 214 HD11 LEU 26 HD11 LEU 26 22.559 32.496 -1.799 215 HD12 LEU 26 HD12 LEU 26 20.829 32.444 -2.205 216 HD13 LEU 26 HD13 LEU 26 21.510 33.879 -1.406 217 HD21 LEU 26 HD21 LEU 26 22.265 30.323 -0.540 218 HD22 LEU 26 HD22 LEU 26 21.007 30.209 0.720 219 HD23 LEU 26 HD23 LEU 26 20.545 30.340 -0.986 220 H GLY 27 H GLY 27 21.829 33.538 4.417 221 HA2 GLY 27 HA2 GLY 27 24.579 34.470 4.584 222 HA3 GLY 27 HA3 GLY 27 23.251 34.832 5.703 223 H ASN 28 H ASN 28 22.771 31.799 5.943 224 HA ASN 28 HA ASN 28 24.803 31.336 8.042 225 HB2 ASN 28 HB2 ASN 28 22.167 29.937 7.436 226 HB3 ASN 28 HB3 ASN 28 23.247 29.544 8.774 227 HD21 ASN 28 HD21 ASN 28 20.946 29.979 9.718 228 HD22 ASN 28 HD22 ASN 28 20.716 31.597 10.354 229 H ARG 29 H ARG 29 25.661 31.108 5.289 230 HA ARG 29 HA ARG 29 26.532 29.678 3.751 231 HB2 ARG 29 HB2 ARG 29 26.928 27.848 6.149 232 HB3 ARG 29 HB3 ARG 29 27.753 27.722 4.583 233 HG2 ARG 29 HG2 ARG 29 28.703 30.003 4.915 234 HG3 ARG 29 HG3 ARG 29 27.925 30.089 6.505 235 HD2 ARG 29 HD2 ARG 29 29.952 27.991 5.646 236 HD3 ARG 29 HD3 ARG 29 30.324 29.403 6.637 237 HE ARG 29 HE ARG 29 28.900 26.963 7.460 238 HH11 ARG 29 HH11 ARG 29 29.724 30.300 8.275 239 HH12 ARG 29 HH12 ARG 29 29.392 30.093 9.979 240 HH21 ARG 29 HH21 ARG 29 28.485 26.715 9.685 241 HH22 ARG 29 HH22 ARG 29 28.711 28.060 10.776 242 H ALA 30 H ALA 30 23.729 29.697 4.106 243 HA ALA 30 HA ALA 30 21.840 28.688 3.502 244 HB1 ALA 30 HB1 ALA 30 21.891 27.126 1.645 245 HB2 ALA 30 HB2 ALA 30 23.033 28.462 1.389 246 HB3 ALA 30 HB3 ALA 30 23.631 26.858 1.890 247 H ALA 31 H ALA 31 23.409 27.538 5.915 248 HA ALA 31 HA ALA 31 22.605 24.823 6.227 249 HB1 ALA 31 HB1 ALA 31 22.868 27.066 8.278 250 HB2 ALA 31 HB2 ALA 31 22.870 25.324 8.634 251 HB3 ALA 31 HB3 ALA 31 24.209 26.040 7.712 252 H VAL 32 H VAL 32 20.900 27.907 6.557 253 HA VAL 32 HA VAL 32 18.571 26.861 7.915 254 HB VAL 32 HB VAL 32 19.154 29.210 8.083 255 HG11 VAL 32 HG11 VAL 32 18.849 29.366 5.065 256 HG12 VAL 32 HG12 VAL 32 19.190 30.719 6.170 257 HG13 VAL 32 HG13 VAL 32 20.389 29.437 5.959 258 HG21 VAL 32 HG21 VAL 32 16.750 28.699 8.077 259 HG22 VAL 32 HG22 VAL 32 17.082 30.293 7.364 260 HG23 VAL 32 HG23 VAL 32 16.696 28.919 6.310 261 H LYS 33 H LYS 33 19.576 27.249 4.501 262 HA LYS 33 HA LYS 33 16.956 26.764 3.409 263 HB2 LYS 33 HB2 LYS 33 18.852 27.864 2.202 264 HB3 LYS 33 HB3 LYS 33 19.691 26.297 2.148 265 HG2 LYS 33 HG2 LYS 33 17.779 25.329 0.877 266 HG3 LYS 33 HG3 LYS 33 16.953 26.897 0.949 267 HD2 LYS 33 HD2 LYS 33 18.019 26.745 -1.211 268 HD3 LYS 33 HD3 LYS 33 18.906 27.932 -0.251 269 HE2 LYS 33 HE2 LYS 33 20.497 26.530 -1.409 270 HE3 LYS 33 HE3 LYS 33 20.580 26.147 0.318 271 HZ1 LYS 33 HZ1 LYS 33 20.546 24.162 -1.013 272 HZ2 LYS 33 HZ2 LYS 33 19.150 24.228 -0.151 273 HZ3 LYS 33 HZ3 LYS 33 19.139 24.604 -1.740 274 H LYS 34 H LYS 34 19.786 24.729 4.173 275 HA LYS 34 HA LYS 34 18.687 22.306 3.081 276 HB2 LYS 34 HB2 LYS 34 20.939 22.839 5.051 277 HB3 LYS 34 HB3 LYS 34 20.558 21.240 4.385 278 HG2 LYS 34 HG2 LYS 34 20.865 22.092 2.087 279 HG3 LYS 34 HG3 LYS 34 21.267 23.695 2.715 280 HD2 LYS 34 HD2 LYS 34 22.824 21.147 3.286 281 HD3 LYS 34 HD3 LYS 34 23.287 22.404 2.120 282 HE2 LYS 34 HE2 LYS 34 23.381 24.063 3.957 283 HE3 LYS 34 HE3 LYS 34 22.962 22.788 5.123 284 HZ1 LYS 34 HZ1 LYS 34 24.973 21.644 4.501 285 HZ2 LYS 34 HZ2 LYS 34 25.358 22.808 3.412 286 HZ3 LYS 34 HZ3 LYS 34 25.329 23.164 5.018 287 H HIS 35 H HIS 35 18.136 23.963 6.126 288 HA HIS 35 HA HIS 35 17.249 21.565 7.511 289 HB2 HIS 35 HB2 HIS 35 18.066 23.616 8.664 290 HB3 HIS 35 HB3 HIS 35 16.621 24.478 8.105 291 HD1 HIS 35 HD1 HIS 35 17.624 21.590 10.469 292 HD2 HIS 35 HD2 HIS 35 14.362 24.065 9.476 293 HE1 HIS 35 HE1 HIS 35 15.839 21.194 12.266 294 HE2 HIS 35 HE2 HIS 35 13.853 22.696 11.650 295 H ILE 36 H ILE 36 15.728 24.018 5.398 296 HA ILE 36 HA ILE 36 13.027 23.129 5.973 297 HB ILE 36 HB ILE 36 14.201 24.741 3.680 298 HG12 ILE 36 HG12 ILE 36 12.700 25.572 6.207 299 HG13 ILE 36 HG13 ILE 36 14.443 25.753 5.934 300 HG21 ILE 36 HG21 ILE 36 11.296 24.313 4.506 301 HG22 ILE 36 HG22 ILE 36 11.859 25.406 3.219 302 HG23 ILE 36 HG23 ILE 36 12.060 23.662 3.035 303 HD11 ILE 36 HD11 ILE 36 12.220 27.148 4.398 304 HD12 ILE 36 HD12 ILE 36 13.388 27.882 5.512 305 HD13 ILE 36 HD13 ILE 36 13.951 27.221 3.968 306 H GLU 37 H GLU 37 15.611 22.254 3.694 307 HA GLU 37 HA GLU 37 14.053 20.496 2.043 308 HB2 GLU 37 HB2 GLU 37 17.015 20.555 2.735 309 HB3 GLU 37 HB3 GLU 37 16.290 19.571 1.448 310 HG2 GLU 37 HG2 GLU 37 15.468 21.614 0.333 311 HG3 GLU 37 HG3 GLU 37 16.146 22.617 1.618 312 H ARG 38 H ARG 38 15.732 20.165 5.157 313 HA ARG 38 HA ARG 38 15.375 17.277 5.312 314 HB2 ARG 38 HB2 ARG 38 17.307 18.279 6.320 315 HB3 ARG 38 HB3 ARG 38 16.323 19.455 7.206 316 HG2 ARG 38 HG2 ARG 38 15.399 17.740 8.623 317 HG3 ARG 38 HG3 ARG 38 16.162 16.452 7.650 318 HD2 ARG 38 HD2 ARG 38 18.398 17.340 8.270 319 HD3 ARG 38 HD3 ARG 38 17.628 18.612 9.226 320 HE ARG 38 HE ARG 38 16.976 17.053 10.860 321 HH11 ARG 38 HH11 ARG 38 18.678 15.474 8.198 322 HH12 ARG 38 HH12 ARG 38 18.983 14.010 9.108 323 HH21 ARG 38 HH21 ARG 38 17.385 15.144 12.024 324 HH22 ARG 38 HH22 ARG 38 18.255 13.830 11.272 325 H GLN 39 H GLN 39 13.483 20.112 6.058 326 HA GLN 39 HA GLN 39 11.835 18.811 8.082 327 HB2 GLN 39 HB2 GLN 39 12.267 21.182 8.234 328 HB3 GLN 39 HB3 GLN 39 11.704 21.432 6.569 329 HG2 GLN 39 HG2 GLN 39 10.004 22.177 8.169 330 HG3 GLN 39 HG3 GLN 39 9.427 20.847 7.176 331 HE21 GLN 39 HE21 GLN 39 7.797 20.367 8.755 332 HE22 GLN 39 HE22 GLN 39 8.200 19.556 10.256 333 H PHE 40 H PHE 40 11.719 19.364 4.576 334 HA PHE 40 HA PHE 40 9.090 18.013 4.543 335 HB2 PHE 40 HB2 PHE 40 9.925 20.410 2.921 336 HB3 PHE 40 HB3 PHE 40 8.499 19.434 2.583 337 HD1 PHE 40 HD1 PHE 40 9.417 22.400 3.965 338 HD2 PHE 40 HD2 PHE 40 7.105 18.919 4.973 339 HE1 PHE 40 HE1 PHE 40 8.078 23.750 5.561 340 HE2 PHE 40 HE2 PHE 40 5.783 20.265 6.580 341 HZ PHE 40 HZ PHE 40 6.275 22.682 6.881 342 H ASN 41 H ASN 41 12.076 17.284 3.894 343 HA ASN 41 HA ASN 41 13.180 15.932 2.480 344 HB2 ASN 41 HB2 ASN 41 10.417 14.858 1.821 345 HB3 ASN 41 HB3 ASN 41 11.944 14.038 1.500 346 HD21 ASN 41 HD21 ASN 41 9.706 13.126 3.154 347 HD22 ASN 41 HD22 ASN 41 10.364 12.876 4.761 348 H CYS 42 H CYS 42 11.896 18.550 1.427 349 HA CYS 42 HA CYS 42 11.842 18.041 -1.474 350 HB2 CYS 42 HB2 CYS 42 11.166 20.392 -1.576 351 HB3 CYS 42 HB3 CYS 42 10.195 19.548 -0.351 352 HG CYS 42 HG CYS 42 10.831 21.985 0.420 353 H VAL 43 H VAL 43 12.990 20.096 -2.621 354 HA VAL 43 HA VAL 43 15.693 20.557 -1.480 355 HB VAL 43 HB VAL 43 15.029 19.681 -4.323 356 HG11 VAL 43 HG11 VAL 43 17.653 20.661 -3.134 357 HG12 VAL 43 HG12 VAL 43 17.474 19.901 -4.732 358 HG13 VAL 43 HG13 VAL 43 16.710 21.467 -4.411 359 HG21 VAL 43 HG21 VAL 43 15.243 17.824 -2.695 360 HG22 VAL 43 HG22 VAL 43 16.614 17.848 -3.824 361 HG23 VAL 43 HG23 VAL 43 16.814 18.466 -2.168 362 H ILE 44 H ILE 44 16.515 22.648 -2.002 363 HA ILE 44 HA ILE 44 14.647 24.440 -3.459 364 HB ILE 44 HB ILE 44 15.885 24.956 -0.737 365 HG12 ILE 44 HG12 ILE 44 12.982 24.629 -1.609 366 HG13 ILE 44 HG13 ILE 44 13.928 23.461 -0.667 367 HG21 ILE 44 HG21 ILE 44 14.730 27.126 -0.824 368 HG22 ILE 44 HG22 ILE 44 15.848 26.996 -2.177 369 HG23 ILE 44 HG23 ILE 44 14.111 26.752 -2.454 370 HD11 ILE 44 HD11 ILE 44 12.532 24.698 0.849 371 HD12 ILE 44 HD12 ILE 44 14.218 25.165 1.131 372 HD13 ILE 44 HD13 ILE 44 13.125 26.252 0.231 373 H THR 45 H THR 45 15.600 26.071 -4.614 374 HA THR 45 HA THR 45 18.515 26.370 -4.412 375 HB THR 45 HB THR 45 17.312 26.074 -7.133 376 HG1 THR 45 HG1 THR 45 16.897 24.160 -6.103 377 HG21 THR 45 HG21 THR 45 20.121 25.755 -5.993 378 HG22 THR 45 HG22 THR 45 19.664 25.493 -7.691 379 HG23 THR 45 HG23 THR 45 19.527 27.115 -6.975 380 H VAL 46 H VAL 46 19.129 28.374 -4.203 381 HA VAL 46 HA VAL 46 17.362 30.509 -5.204 382 HB VAL 46 HB VAL 46 19.917 30.748 -3.591 383 HG11 VAL 46 HG11 VAL 46 17.640 32.684 -4.223 384 HG12 VAL 46 HG12 VAL 46 18.942 32.999 -3.064 385 HG13 VAL 46 HG13 VAL 46 19.331 32.804 -4.785 386 HG21 VAL 46 HG21 VAL 46 18.378 31.118 -1.673 387 HG22 VAL 46 HG22 VAL 46 16.996 30.715 -2.719 388 HG23 VAL 46 HG23 VAL 46 18.218 29.480 -2.332 389 H HIS 47 H HIS 47 18.024 32.099 -6.699 390 HA HIS 47 HA HIS 47 20.341 31.305 -8.392 391 HB2 HIS 47 HB2 HIS 47 17.481 31.961 -9.145 392 HB3 HIS 47 HB3 HIS 47 18.815 32.087 -10.304 393 HD1 HIS 47 HD1 HIS 47 20.261 29.704 -10.621 394 HD2 HIS 47 HD2 HIS 47 16.407 29.552 -8.928 395 HE1 HIS 47 HE1 HIS 47 19.456 27.265 -10.842 396 HE2 HIS 47 HE2 HIS 47 17.099 27.204 -9.825 397 H THR 48 H THR 48 21.231 32.975 -6.766 398 HA THR 48 HA THR 48 20.508 35.687 -7.103 399 HB THR 48 HB THR 48 22.166 36.269 -5.671 400 HG1 THR 48 HG1 THR 48 24.094 35.136 -5.466 401 HG21 THR 48 HG21 THR 48 21.829 33.296 -5.063 402 HG22 THR 48 HG22 THR 48 22.336 34.554 -3.921 403 HG23 THR 48 HG23 THR 48 20.694 34.595 -4.590 404 H GLU 49 H GLU 49 22.219 33.741 -9.306 405 HA GLU 49 HA GLU 49 23.682 35.904 -10.546 406 HB2 GLU 49 HB2 GLU 49 24.094 34.369 -12.336 407 HB3 GLU 49 HB3 GLU 49 24.351 33.528 -10.813 408 HG2 GLU 49 HG2 GLU 49 21.758 33.346 -12.413 409 HG3 GLU 49 HG3 GLU 49 23.136 32.295 -12.706 410 H VAL 50 H VAL 50 20.451 35.456 -10.123 411 HA VAL 50 HA VAL 50 19.783 36.949 -12.594 412 HB VAL 50 HB VAL 50 17.854 35.250 -11.020 413 HG11 VAL 50 HG11 VAL 50 16.521 35.405 -13.105 414 HG12 VAL 50 HG12 VAL 50 16.816 36.995 -12.392 415 HG13 VAL 50 HG13 VAL 50 17.756 36.470 -13.809 416 HG21 VAL 50 HG21 VAL 50 18.060 33.576 -12.836 417 HG22 VAL 50 HG22 VAL 50 19.429 34.495 -13.515 418 HG23 VAL 50 HG23 VAL 50 19.555 33.737 -11.906 419 H GLN 51 H GLN 51 18.426 38.757 -12.403 420 HA GLN 51 HA GLN 51 17.357 39.463 -9.774 421 HB2 GLN 51 HB2 GLN 51 19.631 40.264 -9.526 422 HB3 GLN 51 HB3 GLN 51 19.561 41.089 -11.100 423 HG2 GLN 51 HG2 GLN 51 17.857 42.623 -10.269 424 HG3 GLN 51 HG3 GLN 51 17.750 41.737 -8.738 425 HE21 GLN 51 HE21 GLN 51 18.167 44.343 -8.418 426 HE22 GLN 51 HE22 GLN 51 19.835 44.689 -8.019 427 H SER 52 H SER 52 15.374 40.142 -10.189 428 HA SER 52 HA SER 52 14.605 41.132 -12.824 429 HB2 SER 52 HB2 SER 52 13.112 39.676 -11.557 430 HB3 SER 52 HB3 SER 52 13.068 40.843 -10.217 431 HG SER 52 HG SER 52 11.279 41.072 -11.615 432 H SER 53 H SER 53 13.279 43.178 -13.008 433 HA SER 53 HA SER 53 14.894 45.391 -12.207 434 HB2 SER 53 HB2 SER 53 13.171 46.723 -13.336 435 HB3 SER 53 HB3 SER 53 13.563 45.292 -14.304 436 HG SER 53 HG SER 53 11.302 45.648 -14.090 437 H PHE 54 H PHE 54 12.308 43.695 -10.612 438 HA PHE 54 HA PHE 54 11.754 45.974 -8.913 439 HB2 PHE 54 HB2 PHE 54 10.190 44.382 -7.689 440 HB3 PHE 54 HB3 PHE 54 9.802 45.061 -9.268 441 HD1 PHE 54 HD1 PHE 54 11.487 42.006 -7.866 442 HD2 PHE 54 HD2 PHE 54 8.896 43.665 -10.867 443 HE1 PHE 54 HE1 PHE 54 11.015 39.720 -8.725 444 HE2 PHE 54 HE2 PHE 54 8.433 41.385 -11.730 445 HZ PHE 54 HZ PHE 54 9.487 39.413 -10.649 446 H GLY 55 H GLY 55 14.406 44.294 -8.875 447 HA2 GLY 55 HA2 GLY 55 16.071 44.327 -7.289 448 HA3 GLY 55 HA3 GLY 55 14.962 45.120 -6.163 449 H ALA 56 H ALA 56 14.641 41.925 -7.815 450 HA ALA 56 HA ALA 56 14.888 40.610 -5.160 451 HB1 ALA 56 HB1 ALA 56 12.586 40.210 -7.101 452 HB2 ALA 56 HB2 ALA 56 12.844 39.320 -5.587 453 HB3 ALA 56 HB3 ALA 56 12.501 41.064 -5.535 454 H THR 57 H THR 57 15.237 38.365 -5.206 455 HA THR 57 HA THR 57 16.624 37.371 -7.670 456 HB THR 57 HB THR 57 16.981 36.994 -4.678 457 HG1 THR 57 HG1 THR 57 19.096 37.576 -5.256 458 HG21 THR 57 HG21 THR 57 18.143 35.259 -6.895 459 HG22 THR 57 HG22 THR 57 18.684 35.265 -5.200 460 HG23 THR 57 HG23 THR 57 17.040 34.731 -5.597 461 HA PRO 58 HA PRO 58 13.219 34.425 -7.490 462 HB2 PRO 58 HB2 PRO 58 13.816 32.909 -9.640 463 HB3 PRO 58 HB3 PRO 58 13.331 34.628 -9.816 464 HG2 PRO 58 HG2 PRO 58 16.138 33.476 -9.801 465 HG3 PRO 58 HG3 PRO 58 15.426 34.643 -10.961 466 HD2 PRO 58 HD2 PRO 58 16.963 35.370 -8.780 467 HD3 PRO 58 HD3 PRO 58 15.675 36.412 -9.448 468 H VAL 59 H VAL 59 12.863 32.253 -6.903 469 HA VAL 59 HA VAL 59 15.199 30.540 -6.476 470 HB VAL 59 HB VAL 59 14.939 30.103 -4.282 471 HG11 VAL 59 HG11 VAL 59 13.768 32.921 -4.393 472 HG12 VAL 59 HG12 VAL 59 14.602 32.163 -3.019 473 HG13 VAL 59 HG13 VAL 59 15.498 32.528 -4.507 474 HG21 VAL 59 HG21 VAL 59 12.059 31.057 -4.427 475 HG22 VAL 59 HG22 VAL 59 12.625 29.366 -4.306 476 HG23 VAL 59 HG23 VAL 59 12.885 30.479 -2.961 477 H GLU 60 H GLU 60 14.702 28.249 -6.150 478 HA GLU 60 HA GLU 60 12.114 27.479 -7.416 479 HB2 GLU 60 HB2 GLU 60 14.918 26.534 -8.067 480 HB3 GLU 60 HB3 GLU 60 13.452 25.674 -8.595 481 HG2 GLU 60 HG2 GLU 60 12.693 27.609 -9.847 482 HG3 GLU 60 HG3 GLU 60 14.018 28.602 -9.218 483 H ILE 61 H ILE 61 11.363 25.358 -6.925 484 HA ILE 61 HA ILE 61 12.618 24.043 -4.574 485 HB ILE 61 HB ILE 61 9.663 24.661 -4.844 486 HG12 ILE 61 HG12 ILE 61 11.747 25.933 -3.017 487 HG13 ILE 61 HG13 ILE 61 10.947 26.713 -4.396 488 HG21 ILE 61 HG21 ILE 61 11.252 23.437 -2.556 489 HG22 ILE 61 HG22 ILE 61 9.505 23.790 -2.544 490 HG23 ILE 61 HG23 ILE 61 10.140 22.567 -3.642 491 HD11 ILE 61 HD11 ILE 61 9.583 25.763 -1.853 492 HD12 ILE 61 HD12 ILE 61 9.862 27.435 -2.363 493 HD13 ILE 61 HD13 ILE 61 8.746 26.401 -3.287 494 H VAL 62 H VAL 62 12.296 21.813 -4.504 495 HA VAL 62 HA VAL 62 10.749 20.567 -6.697 496 HB VAL 62 HB VAL 62 13.598 19.770 -6.045 497 HG11 VAL 62 HG11 VAL 62 13.391 18.418 -8.095 498 HG12 VAL 62 HG12 VAL 62 12.201 17.927 -6.878 499 HG13 VAL 62 HG13 VAL 62 11.693 18.925 -8.262 500 HG21 VAL 62 HG21 VAL 62 12.513 21.345 -8.411 501 HG22 VAL 62 HG22 VAL 62 13.631 21.948 -7.163 502 HG23 VAL 62 HG23 VAL 62 14.160 20.680 -8.285 503 H ALA 63 H ALA 63 9.821 18.600 -6.217 504 HA ALA 63 HA ALA 63 10.609 17.078 -3.861 505 HB1 ALA 63 HB1 ALA 63 7.885 18.418 -3.955 506 HB2 ALA 63 HB2 ALA 63 8.453 17.277 -2.715 507 HB3 ALA 63 HB3 ALA 63 9.212 18.876 -2.852 508 H GLN 64 H GLN 64 9.109 15.120 -3.622 509 HA GLN 64 HA GLN 64 8.807 13.899 -6.200 510 HB2 GLN 64 HB2 GLN 64 9.425 12.711 -4.092 511 HB3 GLN 64 HB3 GLN 64 7.810 13.036 -3.455 512 HG2 GLN 64 HG2 GLN 64 7.874 10.768 -4.303 513 HG3 GLN 64 HG3 GLN 64 6.813 11.720 -5.330 514 HE21 GLN 64 HE21 GLN 64 7.158 10.015 -6.958 515 HE22 GLN 64 HE22 GLN 64 8.623 10.015 -7.916 516 H ASN 65 H ASN 65 6.623 15.737 -4.127 517 HA ASN 65 HA ASN 65 4.573 15.667 -6.191 518 HB2 ASN 65 HB2 ASN 65 2.798 14.834 -4.649 519 HB3 ASN 65 HB3 ASN 65 4.005 13.622 -5.071 520 HD21 ASN 65 HD21 ASN 65 3.616 12.327 -3.259 521 HD22 ASN 65 HD22 ASN 65 4.107 12.813 -1.646 522 H LYS 66 H LYS 66 2.600 17.013 -5.422 523 HA LYS 66 HA LYS 66 3.642 19.579 -4.634 524 HB2 LYS 66 HB2 LYS 66 0.778 18.610 -4.975 525 HB3 LYS 66 HB3 LYS 66 1.277 20.296 -4.794 526 HG2 LYS 66 HG2 LYS 66 2.665 20.109 -6.842 527 HG3 LYS 66 HG3 LYS 66 2.142 18.421 -7.038 528 HD2 LYS 66 HD2 LYS 66 -0.214 19.160 -7.214 529 HD3 LYS 66 HD3 LYS 66 0.301 20.850 -7.022 530 HE2 LYS 66 HE2 LYS 66 1.692 20.656 -9.062 531 HE3 LYS 66 HE3 LYS 66 1.189 18.974 -9.248 532 HZ1 LYS 66 HZ1 LYS 66 -1.080 19.745 -9.477 533 HZ2 LYS 66 HZ2 LYS 66 -0.605 21.309 -9.322 534 HZ3 LYS 66 HZ3 LYS 66 -0.117 20.430 -10.624 535 H GLU 67 H GLU 67 2.193 16.924 -2.848 536 HA GLU 67 HA GLU 67 1.314 18.456 -0.593 537 HB2 GLU 67 HB2 GLU 67 1.999 15.501 -0.894 538 HB3 GLU 67 HB3 GLU 67 1.305 16.238 0.547 539 HG2 GLU 67 HG2 GLU 67 -0.572 15.422 -0.535 540 HG3 GLU 67 HG3 GLU 67 -0.576 17.134 -0.952 541 H GLN 68 H GLN 68 4.450 17.899 -1.705 542 HA GLN 68 HA GLN 68 5.518 18.503 1.015 543 HB2 GLN 68 HB2 GLN 68 6.746 16.798 -1.183 544 HB3 GLN 68 HB3 GLN 68 7.588 17.283 0.297 545 HG2 GLN 68 HG2 GLN 68 5.046 15.592 0.174 546 HG3 GLN 68 HG3 GLN 68 6.690 14.992 0.449 547 HE21 GLN 68 HE21 GLN 68 7.643 17.050 2.211 548 HE22 GLN 68 HE22 GLN 68 6.741 16.921 3.712 549 H CYS 69 H CYS 69 5.336 19.379 -2.384 550 HA CYS 69 HA CYS 69 7.704 21.080 -2.300 551 HB2 CYS 69 HB2 CYS 69 6.628 19.906 -4.343 552 HB3 CYS 69 HB3 CYS 69 5.389 21.173 -4.274 553 HG CYS 69 HG CYS 69 7.158 21.742 -6.123 554 H GLN 70 H GLN 70 4.149 21.429 -1.945 555 HA GLN 70 HA GLN 70 4.183 24.316 -1.942 556 HB2 GLN 70 HB2 GLN 70 2.146 22.271 -0.979 557 HB3 GLN 70 HB3 GLN 70 1.842 24.009 -1.048 558 HG2 GLN 70 HG2 GLN 70 2.618 22.303 -3.464 559 HG3 GLN 70 HG3 GLN 70 0.958 22.708 -3.020 560 HE21 GLN 70 HE21 GLN 70 1.605 23.420 -5.485 561 HE22 GLN 70 HE22 GLN 70 1.907 25.139 -5.620 562 H GLU 71 H GLU 71 4.646 21.846 0.559 563 HA GLU 71 HA GLU 71 3.967 23.559 2.770 564 HB2 GLU 71 HB2 GLU 71 5.786 21.116 2.671 565 HB3 GLU 71 HB3 GLU 71 5.059 21.818 4.125 566 HG2 GLU 71 HG2 GLU 71 3.515 20.613 1.788 567 HG3 GLU 71 HG3 GLU 71 3.848 19.807 3.317 568 H ALA 72 H ALA 72 6.948 22.947 0.923 569 HA ALA 72 HA ALA 72 8.583 24.547 2.743 570 HB1 ALA 72 HB1 ALA 72 9.503 22.631 1.485 571 HB2 ALA 72 HB2 ALA 72 9.111 23.435 -0.053 572 HB3 ALA 72 HB3 ALA 72 10.324 24.142 1.040 573 H ARG 73 H ARG 73 6.684 25.020 -0.203 574 HA ARG 73 HA ARG 73 7.848 27.522 -1.003 575 HB2 ARG 73 HB2 ARG 73 6.566 26.222 -2.570 576 HB3 ARG 73 HB3 ARG 73 5.172 26.170 -1.476 577 HG2 ARG 73 HG2 ARG 73 4.783 27.734 -3.308 578 HG3 ARG 73 HG3 ARG 73 4.798 28.568 -1.741 579 HD2 ARG 73 HD2 ARG 73 7.005 29.455 -2.141 580 HD3 ARG 73 HD3 ARG 73 7.243 28.401 -3.541 581 HE ARG 73 HE ARG 73 6.183 29.957 -4.850 582 HH11 ARG 73 HH11 ARG 73 5.132 30.476 -1.508 583 HH12 ARG 73 HH12 ARG 73 4.136 31.851 -1.920 584 HH21 ARG 73 HH21 ARG 73 4.900 31.778 -5.341 585 HH22 ARG 73 HH22 ARG 73 4.003 32.575 -4.075 586 H ASN 74 H ASN 74 5.123 26.642 1.135 587 HA ASN 74 HA ASN 74 4.448 29.443 1.592 588 HB2 ASN 74 HB2 ASN 74 3.449 26.796 2.675 589 HB3 ASN 74 HB3 ASN 74 2.900 28.353 3.323 590 HD21 ASN 74 HD21 ASN 74 2.584 26.063 0.744 591 HD22 ASN 74 HD22 ASN 74 1.412 26.962 -0.198 592 H ALA 75 H ALA 75 6.906 27.408 2.855 593 HA ALA 75 HA ALA 75 6.854 28.607 5.533 594 HB1 ALA 75 HB1 ALA 75 7.528 26.265 5.186 595 HB2 ALA 75 HB2 ALA 75 8.873 26.793 4.146 596 HB3 ALA 75 HB3 ALA 75 8.856 27.228 5.869 597 H VAL 76 H VAL 76 8.580 29.067 2.432 598 HA VAL 76 HA VAL 76 10.648 30.702 3.676 599 HB VAL 76 HB VAL 76 9.947 30.119 0.772 600 HG11 VAL 76 HG11 VAL 76 12.420 31.445 1.977 601 HG12 VAL 76 HG12 VAL 76 12.303 30.836 0.316 602 HG13 VAL 76 HG13 VAL 76 11.267 32.174 0.827 603 HG21 VAL 76 HG21 VAL 76 11.851 28.563 0.893 604 HG22 VAL 76 HG22 VAL 76 12.115 28.989 2.591 605 HG23 VAL 76 HG23 VAL 76 10.629 28.140 2.108 606 H MET 77 H MET 77 7.415 31.280 2.740 607 HA MET 77 HA MET 77 7.884 34.017 1.820 608 HB2 MET 77 HB2 MET 77 5.341 32.474 2.457 609 HB3 MET 77 HB3 MET 77 5.392 34.063 1.681 610 HG2 MET 77 HG2 MET 77 6.778 31.597 0.545 611 HG3 MET 77 HG3 MET 77 5.137 32.075 0.136 612 HE1 MET 77 HE1 MET 77 8.910 33.367 0.173 613 HE2 MET 77 HE2 MET 77 8.601 32.031 -0.960 614 HE3 MET 77 HE3 MET 77 9.028 33.649 -1.571 615 H SER 78 H SER 78 7.558 32.567 4.946 616 HA SER 78 HA SER 78 7.276 35.264 6.109 617 HB2 SER 78 HB2 SER 78 5.245 33.042 6.524 618 HB3 SER 78 HB3 SER 78 5.440 34.403 7.642 619 HG SER 78 HG SER 78 4.857 34.620 4.876 620 H LEU 79 H LEU 79 7.986 31.792 6.532 621 HA LEU 79 HA LEU 79 8.901 32.325 9.299 622 HB2 LEU 79 HB2 LEU 79 8.796 29.738 7.715 623 HB3 LEU 79 HB3 LEU 79 9.125 29.899 9.447 624 HG LEU 79 HG LEU 79 6.513 30.628 8.045 625 HD11 LEU 79 HD11 LEU 79 6.943 28.206 8.195 626 HD12 LEU 79 HD12 LEU 79 7.254 28.362 9.937 627 HD13 LEU 79 HD13 LEU 79 5.627 28.695 9.294 628 HD21 LEU 79 HD21 LEU 79 5.655 30.885 10.381 629 HD22 LEU 79 HD22 LEU 79 7.304 30.655 10.995 630 HD23 LEU 79 HD23 LEU 79 6.910 32.082 10.009 631 H MET 80 H MET 80 10.132 31.213 6.151 632 HA MET 80 HA MET 80 12.193 30.932 5.290 633 HB2 MET 80 HB2 MET 80 13.001 33.268 7.051 634 HB3 MET 80 HB3 MET 80 13.713 32.774 5.508 635 HG2 MET 80 HG2 MET 80 11.465 33.173 4.428 636 HG3 MET 80 HG3 MET 80 10.905 33.838 5.965 637 HE1 MET 80 HE1 MET 80 14.167 34.143 3.738 638 HE2 MET 80 HE2 MET 80 12.758 34.396 2.675 639 HE3 MET 80 HE3 MET 80 13.881 35.737 3.009 640 H GLN 81 H GLN 81 11.604 29.840 8.203 641 HA GLN 81 HA GLN 81 12.630 28.814 9.897 642 HB2 GLN 81 HB2 GLN 81 13.147 27.269 8.117 643 HB3 GLN 81 HB3 GLN 81 14.613 28.148 7.700 644 HG2 GLN 81 HG2 GLN 81 15.076 26.083 8.967 645 HG3 GLN 81 HG3 GLN 81 15.672 27.500 9.803 646 HE21 GLN 81 HE21 GLN 81 15.663 26.217 11.783 647 HE22 GLN 81 HE22 GLN 81 14.168 25.929 12.638 648 H SER 82 H SER 82 13.439 31.702 9.162 649 HA SER 82 HA SER 82 15.426 31.979 11.298 650 HB2 SER 82 HB2 SER 82 17.118 33.045 9.880 651 HB3 SER 82 HB3 SER 82 16.786 31.400 9.298 652 HG SER 82 HG SER 82 16.748 32.813 7.554 653 H HIS 83 H HIS 83 12.691 33.153 9.779 654 HA HIS 83 HA HIS 83 13.291 35.951 9.653 655 HB2 HIS 83 HB2 HIS 83 11.421 34.554 8.519 656 HB3 HIS 83 HB3 HIS 83 10.524 34.778 10.022 657 HD1 HIS 83 HD1 HIS 83 10.837 37.802 10.601 658 HD2 HIS 83 HD2 HIS 83 10.500 36.135 6.749 659 HE1 HIS 83 HE1 HIS 83 9.994 39.678 9.064 660 HE2 HIS 83 HE2 HIS 83 9.796 38.651 6.717 661 H GLN 84 H GLN 84 13.218 34.021 12.334 662 HA GLN 84 HA GLN 84 11.820 35.738 14.190 663 HB2 GLN 84 HB2 GLN 84 13.981 33.624 14.619 664 HB3 GLN 84 HB3 GLN 84 12.993 34.363 15.896 665 HG2 GLN 84 HG2 GLN 84 10.940 33.489 14.820 666 HG3 GLN 84 HG3 GLN 84 11.922 32.726 13.562 667 HE21 GLN 84 HE21 GLN 84 10.406 30.944 14.691 668 HE22 GLN 84 HE22 GLN 84 11.239 30.000 15.905 669 H ASP 85 H ASP 85 14.811 35.980 12.533 670 HA ASP 85 HA ASP 85 16.543 37.318 12.638 671 HB2 ASP 85 HB2 ASP 85 14.441 39.170 13.712 672 HB3 ASP 85 HB3 ASP 85 16.093 39.699 13.384 673 H LYS 86 H LYS 86 16.006 35.712 15.238 674 HA LYS 86 HA LYS 86 17.528 37.172 17.222 675 HB2 LYS 86 HB2 LYS 86 17.509 35.028 18.428 676 HB3 LYS 86 HB3 LYS 86 15.894 35.511 17.889 677 HG2 LYS 86 HG2 LYS 86 16.047 33.936 15.982 678 HG3 LYS 86 HG3 LYS 86 17.700 33.497 16.467 679 HD2 LYS 86 HD2 LYS 86 16.059 31.817 17.204 680 HD3 LYS 86 HD3 LYS 86 16.872 32.593 18.584 681 HE2 LYS 86 HE2 LYS 86 14.945 34.058 18.942 682 HE3 LYS 86 HE3 LYS 86 14.148 33.406 17.501 683 HZ1 LYS 86 HZ1 LYS 86 14.072 31.275 18.570 684 HZ2 LYS 86 HZ2 LYS 86 14.843 31.859 19.909 685 HZ3 LYS 86 HZ3 LYS 86 13.336 32.393 19.518 Start of MODEL 18 1 H1 SER 1 H SER 1 18.274 -0.025 -22.520 2 HA SER 1 HA SER 1 18.679 2.183 -21.725 3 HB2 SER 1 HB2 SER 1 16.782 3.718 -21.425 4 HB3 SER 1 HB3 SER 1 17.011 3.309 -23.136 5 HG SER 1 HG SER 1 14.813 3.178 -22.446 6 H GLY 2 H GLY 2 18.048 2.905 -19.499 7 HA2 GLY 2 HA2 GLY 2 17.594 0.585 -17.816 8 HA3 GLY 2 HA3 GLY 2 17.907 2.241 -17.295 9 H SER 3 H SER 3 16.167 1.097 -15.768 10 HA SER 3 HA SER 3 13.645 2.458 -16.301 11 HB2 SER 3 HB2 SER 3 12.248 0.462 -16.111 12 HB3 SER 3 HB3 SER 3 13.337 0.300 -17.505 13 HG SER 3 HG SER 3 13.267 -1.584 -16.194 14 H HIS 4 H HIS 4 12.117 2.136 -14.401 15 HA HIS 4 HA HIS 4 13.361 1.269 -11.895 16 HB2 HIS 4 HB2 HIS 4 14.190 3.614 -12.314 17 HB3 HIS 4 HB3 HIS 4 12.517 4.167 -12.292 18 HD1 HIS 4 HD1 HIS 4 14.632 1.973 -9.837 19 HD2 HIS 4 HD2 HIS 4 12.016 5.273 -9.995 20 HE1 HIS 4 HE1 HIS 4 14.345 2.797 -7.421 21 HE2 HIS 4 HE2 HIS 4 12.742 4.794 -7.523 22 H MET 5 H MET 5 11.773 1.421 -10.068 23 HA MET 5 HA MET 5 9.235 0.408 -10.957 24 HB2 MET 5 HB2 MET 5 10.218 1.143 -8.164 25 HB3 MET 5 HB3 MET 5 8.740 0.253 -8.545 26 HG2 MET 5 HG2 MET 5 10.297 -1.419 -8.018 27 HG3 MET 5 HG3 MET 5 10.179 -1.432 -9.778 28 HE1 MET 5 HE1 MET 5 13.743 0.110 -7.247 29 HE2 MET 5 HE2 MET 5 12.172 0.936 -7.256 30 HE3 MET 5 HE3 MET 5 12.299 -0.719 -6.615 31 H LYS 6 H LYS 6 10.326 3.608 -10.552 32 HA LYS 6 HA LYS 6 7.553 4.615 -10.645 33 HB2 LYS 6 HB2 LYS 6 9.664 5.633 -8.698 34 HB3 LYS 6 HB3 LYS 6 8.091 6.384 -9.003 35 HG2 LYS 6 HG2 LYS 6 6.977 4.268 -8.243 36 HG3 LYS 6 HG3 LYS 6 8.570 3.608 -7.826 37 HD2 LYS 6 HD2 LYS 6 7.322 6.128 -6.651 38 HD3 LYS 6 HD3 LYS 6 7.422 4.550 -5.854 39 HE2 LYS 6 HE2 LYS 6 9.907 4.652 -5.991 40 HE3 LYS 6 HE3 LYS 6 9.785 6.253 -6.740 41 HZ1 LYS 6 HZ1 LYS 6 8.708 7.036 -4.751 42 HZ2 LYS 6 HZ2 LYS 6 8.796 5.551 -4.055 43 HZ3 LYS 6 HZ3 LYS 6 10.173 6.388 -4.375 44 H THR 7 H THR 7 7.452 6.854 -11.429 45 HA THR 7 HA THR 7 9.260 7.220 -13.588 46 HB THR 7 HB THR 7 7.904 8.835 -14.399 47 HG1 THR 7 HG1 THR 7 6.582 10.110 -13.039 48 HG21 THR 7 HG21 THR 7 5.591 8.214 -14.019 49 HG22 THR 7 HG22 THR 7 6.591 6.743 -14.034 50 HG23 THR 7 HG23 THR 7 6.001 7.419 -12.486 51 H CYS 8 H CYS 8 10.470 9.098 -14.173 52 HA CYS 8 HA CYS 8 12.124 10.042 -11.950 53 HB2 CYS 8 HB2 CYS 8 12.264 10.457 -14.963 54 HB3 CYS 8 HB3 CYS 8 13.466 11.058 -13.796 55 HG CYS 8 HG CYS 8 14.392 8.941 -14.974 56 H VAL 9 H VAL 9 9.174 11.027 -13.002 57 HA VAL 9 HA VAL 9 9.592 13.833 -13.394 58 HB VAL 9 HB VAL 9 7.034 12.426 -12.594 59 HG11 VAL 9 HG11 VAL 9 5.974 14.292 -13.843 60 HG12 VAL 9 HG12 VAL 9 6.892 14.872 -12.450 61 HG13 VAL 9 HG13 VAL 9 7.573 15.022 -14.098 62 HG21 VAL 9 HG21 VAL 9 7.973 11.311 -14.576 63 HG22 VAL 9 HG22 VAL 9 6.574 12.301 -15.031 64 HG23 VAL 9 HG23 VAL 9 8.221 12.889 -15.358 65 H VAL 10 H VAL 10 9.178 15.585 -12.035 66 HA VAL 10 HA VAL 10 8.667 15.053 -9.180 67 HB VAL 10 HB VAL 10 10.529 16.402 -8.441 68 HG11 VAL 10 HG11 VAL 10 11.542 14.300 -10.389 69 HG12 VAL 10 HG12 VAL 10 12.404 14.958 -8.977 70 HG13 VAL 10 HG13 VAL 10 10.939 13.981 -8.740 71 HG21 VAL 10 HG21 VAL 10 10.726 17.930 -10.354 72 HG22 VAL 10 HG22 VAL 10 12.289 17.157 -10.025 73 HG23 VAL 10 HG23 VAL 10 11.295 16.599 -11.387 74 H GLU 11 H GLU 11 8.123 16.992 -7.970 75 HA GLU 11 HA GLU 11 6.458 18.785 -9.518 76 HB2 GLU 11 HB2 GLU 11 5.816 17.879 -7.299 77 HB3 GLU 11 HB3 GLU 11 7.211 18.684 -6.569 78 HG2 GLU 11 HG2 GLU 11 5.187 19.956 -6.133 79 HG3 GLU 11 HG3 GLU 11 6.322 20.885 -7.110 80 H LYS 12 H LYS 12 6.647 21.113 -9.548 81 HA LYS 12 HA LYS 12 9.226 22.234 -8.669 82 HB2 LYS 12 HB2 LYS 12 8.342 22.040 -11.534 83 HB3 LYS 12 HB3 LYS 12 9.145 23.517 -10.987 84 HG2 LYS 12 HG2 LYS 12 11.005 22.176 -10.050 85 HG3 LYS 12 HG3 LYS 12 10.269 20.700 -10.733 86 HD2 LYS 12 HD2 LYS 12 10.507 21.596 -12.998 87 HD3 LYS 12 HD3 LYS 12 11.066 23.156 -12.350 88 HE2 LYS 12 HE2 LYS 12 12.979 21.856 -13.122 89 HE3 LYS 12 HE3 LYS 12 13.040 22.068 -11.368 90 HZ1 LYS 12 HZ1 LYS 12 13.534 19.802 -12.025 91 HZ2 LYS 12 HZ2 LYS 12 12.153 19.841 -11.132 92 HZ3 LYS 12 HZ3 LYS 12 12.076 19.651 -12.764 93 H ILE 13 H ILE 13 9.254 24.326 -8.154 94 HA ILE 13 HA ILE 13 6.922 26.052 -8.670 95 HB ILE 13 HB ILE 13 8.004 25.349 -5.914 96 HG12 ILE 13 HG12 ILE 13 5.234 25.174 -7.164 97 HG13 ILE 13 HG13 ILE 13 6.283 23.823 -6.688 98 HG21 ILE 13 HG21 ILE 13 6.108 27.607 -6.675 99 HG22 ILE 13 HG22 ILE 13 6.552 27.126 -5.018 100 HG23 ILE 13 HG23 ILE 13 7.781 27.789 -6.082 101 HD11 ILE 13 HD11 ILE 13 4.896 25.818 -4.854 102 HD12 ILE 13 HD12 ILE 13 4.632 24.070 -4.972 103 HD13 ILE 13 HD13 ILE 13 6.155 24.700 -4.297 104 H LYS 14 H LYS 14 7.503 28.276 -8.631 105 HA LYS 14 HA LYS 14 10.283 28.969 -7.953 106 HB2 LYS 14 HB2 LYS 14 10.370 28.352 -10.341 107 HB3 LYS 14 HB3 LYS 14 9.052 29.482 -10.696 108 HG2 LYS 14 HG2 LYS 14 10.458 31.376 -9.907 109 HG3 LYS 14 HG3 LYS 14 11.778 30.237 -9.558 110 HD2 LYS 14 HD2 LYS 14 11.776 29.560 -11.965 111 HD3 LYS 14 HD3 LYS 14 10.527 30.793 -12.284 112 HE2 LYS 14 HE2 LYS 14 12.043 32.555 -11.467 113 HE3 LYS 14 HE3 LYS 14 13.291 31.348 -11.126 114 HZ1 LYS 14 HZ1 LYS 14 13.646 32.420 -13.237 115 HZ2 LYS 14 HZ2 LYS 14 13.326 30.825 -13.477 116 HZ3 LYS 14 HZ3 LYS 14 12.170 31.953 -13.783 117 H GLN 15 H GLN 15 10.457 31.017 -7.142 118 HA GLN 15 HA GLN 15 8.391 33.016 -7.605 119 HB2 GLN 15 HB2 GLN 15 7.275 31.665 -5.926 120 HB3 GLN 15 HB3 GLN 15 8.712 31.679 -4.893 121 HG2 GLN 15 HG2 GLN 15 6.975 33.280 -4.114 122 HG3 GLN 15 HG3 GLN 15 8.494 34.073 -4.520 123 HE21 GLN 15 HE21 GLN 15 7.710 36.107 -5.058 124 HE22 GLN 15 HE22 GLN 15 6.621 36.393 -6.404 125 H TRP 16 H TRP 16 8.953 35.095 -6.690 126 HA TRP 16 HA TRP 16 11.878 35.432 -6.395 127 HB2 TRP 16 HB2 TRP 16 9.641 37.409 -6.923 128 HB3 TRP 16 HB3 TRP 16 11.369 37.758 -6.957 129 HD1 TRP 16 HD1 TRP 16 8.719 35.772 -8.906 130 HE1 TRP 16 HE1 TRP 16 9.516 35.370 -11.296 131 HE3 TRP 16 HE3 TRP 16 13.406 37.780 -8.532 132 HZ2 TRP 16 HZ2 TRP 16 11.883 35.901 -12.878 133 HZ3 TRP 16 HZ3 TRP 16 14.890 37.855 -10.507 134 HH2 TRP 16 HH2 TRP 16 14.153 36.903 -12.675 135 H ILE 17 H ILE 17 12.788 36.507 -4.661 136 HA ILE 17 HA ILE 17 10.989 37.540 -2.536 137 HB ILE 17 HB ILE 17 12.260 36.612 -0.815 138 HG12 ILE 17 HG12 ILE 17 14.350 35.742 -2.838 139 HG13 ILE 17 HG13 ILE 17 14.500 37.068 -1.658 140 HG21 ILE 17 HG21 ILE 17 12.170 34.375 -2.864 141 HG22 ILE 17 HG22 ILE 17 12.101 34.221 -1.093 142 HG23 ILE 17 HG23 ILE 17 10.760 34.986 -1.962 143 HD11 ILE 17 HD11 ILE 17 14.221 35.433 0.191 144 HD12 ILE 17 HD12 ILE 17 14.209 34.116 -1.007 145 HD13 ILE 17 HD13 ILE 17 15.660 35.117 -0.805 146 HA PRO 18 HA PRO 18 13.424 41.131 -3.215 147 HB2 PRO 18 HB2 PRO 18 13.506 42.322 -0.720 148 HB3 PRO 18 HB3 PRO 18 12.047 42.282 -1.770 149 HG2 PRO 18 HG2 PRO 18 12.771 40.394 0.487 150 HG3 PRO 18 HG3 PRO 18 11.213 41.245 0.224 151 HD2 PRO 18 HD2 PRO 18 11.549 38.680 -0.562 152 HD3 PRO 18 HD3 PRO 18 10.673 39.828 -1.622 153 H THR 19 H THR 19 15.606 41.700 -3.232 154 HA THR 19 HA THR 19 17.385 39.736 -2.351 155 HB THR 19 HB THR 19 18.391 42.451 -3.066 156 HG1 THR 19 HG1 THR 19 18.010 41.904 -5.215 157 HG21 THR 19 HG21 THR 19 19.217 39.594 -3.752 158 HG22 THR 19 HG22 THR 19 20.039 41.070 -4.317 159 HG23 THR 19 HG23 THR 19 20.031 40.664 -2.591 160 H THR 20 H THR 20 16.079 42.265 -0.514 161 HA THR 20 HA THR 20 18.266 42.400 1.357 162 HB THR 20 HB THR 20 17.107 43.999 2.509 163 HG1 THR 20 HG1 THR 20 14.874 44.144 2.489 164 HG21 THR 20 HG21 THR 20 15.817 44.169 -0.251 165 HG22 THR 20 HG22 THR 20 16.090 45.506 0.886 166 HG23 THR 20 HG23 THR 20 17.477 44.704 0.129 167 H GLU 21 H GLU 21 15.929 40.045 0.832 168 HA GLU 21 HA GLU 21 16.181 39.105 3.650 169 HB2 GLU 21 HB2 GLU 21 14.017 38.441 1.623 170 HB3 GLU 21 HB3 GLU 21 14.097 37.868 3.288 171 HG2 GLU 21 HG2 GLU 21 13.755 40.757 2.425 172 HG3 GLU 21 HG3 GLU 21 12.490 39.678 3.031 173 H VAL 22 H VAL 22 17.410 38.574 0.559 174 HA VAL 22 HA VAL 22 17.425 35.707 0.461 175 HB VAL 22 HB VAL 22 19.359 37.807 -0.602 176 HG11 VAL 22 HG11 VAL 22 20.547 35.671 -0.474 177 HG12 VAL 22 HG12 VAL 22 19.176 34.834 -1.246 178 HG13 VAL 22 HG13 VAL 22 20.136 36.029 -2.151 179 HG21 VAL 22 HG21 VAL 22 18.211 37.428 -2.719 180 HG22 VAL 22 HG22 VAL 22 17.210 36.153 -1.994 181 HG23 VAL 22 HG23 VAL 22 17.001 37.844 -1.487 182 H GLY 23 H GLY 23 19.132 38.057 2.424 183 HA2 GLY 23 HA2 GLY 23 21.320 36.359 3.217 184 HA3 GLY 23 HA3 GLY 23 20.761 37.835 4.039 185 H LYS 24 H LYS 24 17.926 36.352 4.040 186 HA LYS 24 HA LYS 24 18.326 35.114 6.661 187 HB2 LYS 24 HB2 LYS 24 15.834 35.241 4.912 188 HB3 LYS 24 HB3 LYS 24 15.904 34.806 6.623 189 HG2 LYS 24 HG2 LYS 24 16.533 37.529 5.411 190 HG3 LYS 24 HG3 LYS 24 15.107 37.086 6.369 191 HD2 LYS 24 HD2 LYS 24 16.699 36.503 8.272 192 HD3 LYS 24 HD3 LYS 24 17.996 37.247 7.323 193 HE2 LYS 24 HE2 LYS 24 15.446 38.593 8.312 194 HE3 LYS 24 HE3 LYS 24 17.083 38.852 8.924 195 HZ1 LYS 24 HZ1 LYS 24 16.098 39.519 6.232 196 HZ2 LYS 24 HZ2 LYS 24 16.465 40.579 7.422 197 HZ3 LYS 24 HZ3 LYS 24 17.664 39.695 6.721 198 H ILE 25 H ILE 25 18.428 34.078 3.374 199 HA ILE 25 HA ILE 25 17.806 31.267 4.140 200 HB ILE 25 HB ILE 25 17.985 32.549 1.392 201 HG12 ILE 25 HG12 ILE 25 15.544 31.932 3.107 202 HG13 ILE 25 HG13 ILE 25 16.112 33.536 2.597 203 HG21 ILE 25 HG21 ILE 25 16.903 29.857 2.326 204 HG22 ILE 25 HG22 ILE 25 16.903 30.454 0.646 205 HG23 ILE 25 HG23 ILE 25 18.433 30.110 1.449 206 HD11 ILE 25 HD11 ILE 25 14.302 32.928 1.144 207 HD12 ILE 25 HD12 ILE 25 15.805 32.798 0.201 208 HD13 ILE 25 HD13 ILE 25 15.001 31.335 0.816 209 H LEU 26 H LEU 26 20.306 33.397 2.761 210 HA LEU 26 HA LEU 26 22.107 31.035 2.497 211 HB2 LEU 26 HB2 LEU 26 22.179 33.622 0.916 212 HB3 LEU 26 HB3 LEU 26 23.147 32.171 0.630 213 HG LEU 26 HG LEU 26 20.113 32.384 0.310 214 HD11 LEU 26 HD11 LEU 26 21.427 33.619 -1.389 215 HD12 LEU 26 HD12 LEU 26 22.384 32.156 -1.708 216 HD13 LEU 26 HD13 LEU 26 20.649 32.185 -2.097 217 HD21 LEU 26 HD21 LEU 26 20.824 30.103 0.962 218 HD22 LEU 26 HD22 LEU 26 20.319 30.155 -0.738 219 HD23 LEU 26 HD23 LEU 26 22.053 30.121 -0.327 220 H GLY 27 H GLY 27 21.603 33.506 4.579 221 HA2 GLY 27 HA2 GLY 27 24.127 34.885 4.545 222 HA3 GLY 27 HA3 GLY 27 22.881 34.976 5.797 223 H ASN 28 H ASN 28 23.571 31.720 5.446 224 HA ASN 28 HA ASN 28 25.935 31.702 7.187 225 HB2 ASN 28 HB2 ASN 28 24.700 30.257 8.873 226 HB3 ASN 28 HB3 ASN 28 24.296 31.975 8.861 227 HD21 ASN 28 HD21 ASN 28 22.337 31.383 9.991 228 HD22 ASN 28 HD22 ASN 28 20.963 30.806 9.072 229 H ARG 29 H ARG 29 26.310 30.868 4.819 230 HA ARG 29 HA ARG 29 26.790 29.151 3.423 231 HB2 ARG 29 HB2 ARG 29 26.928 27.536 5.993 232 HB3 ARG 29 HB3 ARG 29 27.605 27.065 4.424 233 HG2 ARG 29 HG2 ARG 29 29.052 29.070 4.434 234 HG3 ARG 29 HG3 ARG 29 28.392 29.538 6.018 235 HD2 ARG 29 HD2 ARG 29 29.205 27.389 6.975 236 HD3 ARG 29 HD3 ARG 29 29.872 26.949 5.401 237 HE ARG 29 HE ARG 29 31.577 28.566 5.634 238 HH11 ARG 29 HH11 ARG 29 29.384 28.600 8.414 239 HH12 ARG 29 HH12 ARG 29 30.487 29.515 9.415 240 HH21 ARG 29 HH21 ARG 29 32.994 29.731 6.966 241 HH22 ARG 29 HH22 ARG 29 32.524 30.166 8.592 242 H ALA 30 H ALA 30 24.036 29.766 3.885 243 HA ALA 30 HA ALA 30 21.958 29.054 3.458 244 HB1 ALA 30 HB1 ALA 30 23.022 28.609 1.291 245 HB2 ALA 30 HB2 ALA 30 23.354 26.935 1.789 246 HB3 ALA 30 HB3 ALA 30 21.674 27.501 1.609 247 H ALA 31 H ALA 31 23.273 27.894 5.883 248 HA ALA 31 HA ALA 31 22.449 25.186 6.213 249 HB1 ALA 31 HB1 ALA 31 22.807 27.415 8.255 250 HB2 ALA 31 HB2 ALA 31 22.729 25.680 8.621 251 HB3 ALA 31 HB3 ALA 31 24.080 26.317 7.662 252 H VAL 32 H VAL 32 20.645 28.223 6.310 253 HA VAL 32 HA VAL 32 18.359 27.130 7.755 254 HB VAL 32 HB VAL 32 18.781 29.583 6.009 255 HG11 VAL 32 HG11 VAL 32 16.376 28.796 7.703 256 HG12 VAL 32 HG12 VAL 32 16.624 30.387 6.947 257 HG13 VAL 32 HG13 VAL 32 16.404 28.951 5.928 258 HG21 VAL 32 HG21 VAL 32 18.456 29.231 9.022 259 HG22 VAL 32 HG22 VAL 32 19.995 29.524 8.186 260 HG23 VAL 32 HG23 VAL 32 18.722 30.769 8.174 261 H LYS 33 H LYS 33 19.342 27.529 4.324 262 HA LYS 33 HA LYS 33 16.794 26.768 3.221 263 HB2 LYS 33 HB2 LYS 33 18.611 28.017 2.020 264 HB3 LYS 33 HB3 LYS 33 19.579 26.531 2.027 265 HG2 LYS 33 HG2 LYS 33 17.753 25.370 0.757 266 HG3 LYS 33 HG3 LYS 33 16.842 26.888 0.741 267 HD2 LYS 33 HD2 LYS 33 17.985 26.715 -1.375 268 HD3 LYS 33 HD3 LYS 33 18.806 27.971 -0.435 269 HE2 LYS 33 HE2 LYS 33 20.469 26.578 -1.500 270 HE3 LYS 33 HE3 LYS 33 20.528 26.289 0.243 271 HZ1 LYS 33 HZ1 LYS 33 19.155 24.576 -1.733 272 HZ2 LYS 33 HZ2 LYS 33 20.598 24.245 -1.016 273 HZ3 LYS 33 HZ3 LYS 33 19.211 24.286 -0.130 274 H LYS 34 H LYS 34 19.791 24.996 4.029 275 HA LYS 34 HA LYS 34 18.874 22.479 2.968 276 HB2 LYS 34 HB2 LYS 34 21.108 23.231 4.883 277 HB3 LYS 34 HB3 LYS 34 20.877 21.596 4.216 278 HG2 LYS 34 HG2 LYS 34 21.077 22.458 1.932 279 HG3 LYS 34 HG3 LYS 34 21.275 24.113 2.543 280 HD2 LYS 34 HD2 LYS 34 23.161 21.791 3.148 281 HD3 LYS 34 HD3 LYS 34 23.438 23.038 1.922 282 HE2 LYS 34 HE2 LYS 34 23.310 24.787 3.684 283 HE3 LYS 34 HE3 LYS 34 23.136 23.513 4.912 284 HZ1 LYS 34 HZ1 LYS 34 25.281 22.680 4.251 285 HZ2 LYS 34 HZ2 LYS 34 25.435 23.851 3.108 286 HZ3 LYS 34 HZ3 LYS 34 25.398 24.262 4.699 287 H HIS 35 H HIS 35 18.128 24.137 5.937 288 HA HIS 35 HA HIS 35 17.542 21.707 7.430 289 HB2 HIS 35 HB2 HIS 35 18.098 23.904 8.481 290 HB3 HIS 35 HB3 HIS 35 16.578 24.563 7.865 291 HD1 HIS 35 HD1 HIS 35 17.732 21.650 10.174 292 HD2 HIS 35 HD2 HIS 35 14.507 24.271 9.461 293 HE1 HIS 35 HE1 HIS 35 16.020 21.242 12.052 294 HE2 HIS 35 HE2 HIS 35 14.067 22.840 11.604 295 H ILE 36 H ILE 36 15.769 23.922 5.269 296 HA ILE 36 HA ILE 36 13.161 22.842 5.880 297 HB ILE 36 HB ILE 36 14.185 24.420 3.496 298 HG12 ILE 36 HG12 ILE 36 12.687 25.322 5.991 299 HG13 ILE 36 HG13 ILE 36 14.425 25.528 5.715 300 HG21 ILE 36 HG21 ILE 36 11.337 23.858 4.437 301 HG22 ILE 36 HG22 ILE 36 11.782 24.945 3.104 302 HG23 ILE 36 HG23 ILE 36 12.090 23.208 2.966 303 HD11 ILE 36 HD11 ILE 36 13.904 26.859 3.649 304 HD12 ILE 36 HD12 ILE 36 12.181 26.778 4.084 305 HD13 ILE 36 HD13 ILE 36 13.323 27.600 5.157 306 H GLU 37 H GLU 37 15.784 22.003 3.652 307 HA GLU 37 HA GLU 37 14.280 20.258 1.952 308 HB2 GLU 37 HB2 GLU 37 17.232 20.320 2.686 309 HB3 GLU 37 HB3 GLU 37 16.529 19.371 1.358 310 HG2 GLU 37 HG2 GLU 37 15.677 21.443 0.316 311 HG3 GLU 37 HG3 GLU 37 16.358 22.401 1.631 312 H ARG 38 H ARG 38 15.674 19.878 5.170 313 HA ARG 38 HA ARG 38 15.224 16.956 5.134 314 HB2 ARG 38 HB2 ARG 38 16.318 18.831 7.267 315 HB3 ARG 38 HB3 ARG 38 16.211 17.065 7.403 316 HG2 ARG 38 HG2 ARG 38 17.703 16.801 5.451 317 HG3 ARG 38 HG3 ARG 38 17.782 18.561 5.257 318 HD2 ARG 38 HD2 ARG 38 19.772 17.775 6.423 319 HD3 ARG 38 HD3 ARG 38 18.794 18.762 7.513 320 HE ARG 38 HE ARG 38 18.292 16.882 8.810 321 HH11 ARG 38 HH11 ARG 38 20.069 15.918 5.900 322 HH12 ARG 38 HH12 ARG 38 20.388 14.305 6.496 323 HH21 ARG 38 HH21 ARG 38 18.757 14.788 9.564 324 HH22 ARG 38 HH22 ARG 38 19.655 13.674 8.562 325 H GLN 39 H GLN 39 13.562 19.857 5.931 326 HA GLN 39 HA GLN 39 11.853 18.721 8.003 327 HB2 GLN 39 HB2 GLN 39 12.453 21.093 7.986 328 HB3 GLN 39 HB3 GLN 39 11.799 21.274 6.351 329 HG2 GLN 39 HG2 GLN 39 9.527 20.781 7.166 330 HG3 GLN 39 HG3 GLN 39 10.156 20.537 8.801 331 HE21 GLN 39 HE21 GLN 39 8.131 22.440 8.117 332 HE22 GLN 39 HE22 GLN 39 8.777 24.037 8.433 333 H PHE 40 H PHE 40 11.802 19.084 4.486 334 HA PHE 40 HA PHE 40 9.179 17.732 4.472 335 HB2 PHE 40 HB2 PHE 40 9.956 20.142 2.837 336 HB3 PHE 40 HB3 PHE 40 8.583 19.106 2.455 337 HD1 PHE 40 HD1 PHE 40 9.430 22.078 3.981 338 HD2 PHE 40 HD2 PHE 40 7.044 18.568 4.668 339 HE1 PHE 40 HE1 PHE 40 7.965 23.375 5.498 340 HE2 PHE 40 HE2 PHE 40 5.613 19.852 6.235 341 HZ PHE 40 HZ PHE 40 6.069 22.249 6.655 342 H ASN 41 H ASN 41 12.188 17.078 3.834 343 HA ASN 41 HA ASN 41 13.361 15.803 2.398 344 HB2 ASN 41 HB2 ASN 41 10.637 14.598 1.818 345 HB3 ASN 41 HB3 ASN 41 12.183 13.880 1.363 346 HD21 ASN 41 HD21 ASN 41 10.324 12.538 3.001 347 HD22 ASN 41 HD22 ASN 41 11.030 12.370 4.599 348 H CYS 42 H CYS 42 12.001 18.372 1.391 349 HA CYS 42 HA CYS 42 11.915 17.932 -1.517 350 HB2 CYS 42 HB2 CYS 42 11.207 20.280 -1.533 351 HB3 CYS 42 HB3 CYS 42 10.271 19.385 -0.326 352 HG CYS 42 HG CYS 42 12.900 21.357 0.050 353 H VAL 43 H VAL 43 13.017 19.984 -2.657 354 HA VAL 43 HA VAL 43 15.744 20.457 -1.567 355 HB VAL 43 HB VAL 43 15.041 19.635 -4.412 356 HG11 VAL 43 HG11 VAL 43 17.693 20.521 -3.208 357 HG12 VAL 43 HG12 VAL 43 17.484 19.818 -4.833 358 HG13 VAL 43 HG13 VAL 43 16.758 21.384 -4.449 359 HG21 VAL 43 HG21 VAL 43 15.186 17.723 -2.873 360 HG22 VAL 43 HG22 VAL 43 16.582 17.759 -3.967 361 HG23 VAL 43 HG23 VAL 43 16.762 18.302 -2.282 362 H ILE 44 H ILE 44 16.546 22.541 -2.047 363 HA ILE 44 HA ILE 44 14.664 24.347 -3.468 364 HB ILE 44 HB ILE 44 15.940 24.841 -0.757 365 HG12 ILE 44 HG12 ILE 44 13.023 24.537 -1.589 366 HG13 ILE 44 HG13 ILE 44 13.979 23.352 -0.679 367 HG21 ILE 44 HG21 ILE 44 14.152 26.648 -2.449 368 HG22 ILE 44 HG22 ILE 44 14.782 27.030 -0.832 369 HG23 ILE 44 HG23 ILE 44 15.891 26.894 -2.186 370 HD11 ILE 44 HD11 ILE 44 14.287 25.040 1.139 371 HD12 ILE 44 HD12 ILE 44 13.199 26.143 0.259 372 HD13 ILE 44 HD13 ILE 44 12.594 24.590 0.857 373 H THR 45 H THR 45 15.605 25.964 -4.637 374 HA THR 45 HA THR 45 18.529 26.245 -4.505 375 HB THR 45 HB THR 45 17.242 25.879 -7.189 376 HG1 THR 45 HG1 THR 45 17.935 23.750 -7.085 377 HG21 THR 45 HG21 THR 45 20.091 25.613 -6.138 378 HG22 THR 45 HG22 THR 45 19.573 25.345 -7.819 379 HG23 THR 45 HG23 THR 45 19.443 26.962 -7.100 380 H VAL 46 H VAL 46 18.696 28.297 -3.848 381 HA VAL 46 HA VAL 46 17.140 30.406 -5.107 382 HB VAL 46 HB VAL 46 19.613 30.653 -3.357 383 HG11 VAL 46 HG11 VAL 46 19.067 32.718 -4.573 384 HG12 VAL 46 HG12 VAL 46 17.366 32.590 -4.052 385 HG13 VAL 46 HG13 VAL 46 18.641 32.893 -2.858 386 HG21 VAL 46 HG21 VAL 46 16.671 30.626 -2.577 387 HG22 VAL 46 HG22 VAL 46 17.864 29.361 -2.198 388 HG23 VAL 46 HG23 VAL 46 18.032 30.984 -1.499 389 H HIS 47 H HIS 47 17.855 31.939 -6.641 390 HA HIS 47 HA HIS 47 20.339 31.151 -8.085 391 HB2 HIS 47 HB2 HIS 47 17.579 31.786 -9.132 392 HB3 HIS 47 HB3 HIS 47 19.022 31.856 -10.152 393 HD1 HIS 47 HD1 HIS 47 20.520 29.394 -10.056 394 HD2 HIS 47 HD2 HIS 47 16.414 29.442 -9.104 395 HE1 HIS 47 HE1 HIS 47 19.676 26.980 -10.321 396 HE2 HIS 47 HE2 HIS 47 17.167 27.034 -9.784 397 H THR 48 H THR 48 21.234 32.812 -6.584 398 HA THR 48 HA THR 48 20.573 35.533 -7.011 399 HB THR 48 HB THR 48 22.227 36.127 -5.563 400 HG1 THR 48 HG1 THR 48 24.078 34.877 -5.243 401 HG21 THR 48 HG21 THR 48 22.224 34.519 -3.738 402 HG22 THR 48 HG22 THR 48 20.620 34.552 -4.505 403 HG23 THR 48 HG23 THR 48 21.736 33.206 -4.841 404 H GLU 49 H GLU 49 21.994 33.477 -9.193 405 HA GLU 49 HA GLU 49 23.739 35.356 -10.523 406 HB2 GLU 49 HB2 GLU 49 22.238 32.952 -11.668 407 HB3 GLU 49 HB3 GLU 49 23.618 33.782 -12.383 408 HG2 GLU 49 HG2 GLU 49 24.623 31.948 -11.436 409 HG3 GLU 49 HG3 GLU 49 24.886 33.191 -10.199 410 H VAL 50 H VAL 50 20.477 35.398 -9.911 411 HA VAL 50 HA VAL 50 19.863 36.962 -12.352 412 HB VAL 50 HB VAL 50 17.880 35.229 -10.879 413 HG11 VAL 50 HG11 VAL 50 17.868 36.540 -13.631 414 HG12 VAL 50 HG12 VAL 50 16.606 35.458 -13.002 415 HG13 VAL 50 HG13 VAL 50 16.896 37.017 -12.212 416 HG21 VAL 50 HG21 VAL 50 19.590 33.721 -11.747 417 HG22 VAL 50 HG22 VAL 50 18.132 33.599 -12.740 418 HG23 VAL 50 HG23 VAL 50 19.530 34.522 -13.334 419 H GLN 51 H GLN 51 18.554 38.764 -12.128 420 HA GLN 51 HA GLN 51 17.416 39.408 -9.511 421 HB2 GLN 51 HB2 GLN 51 19.702 40.187 -9.205 422 HB3 GLN 51 HB3 GLN 51 19.650 41.071 -10.745 423 HG2 GLN 51 HG2 GLN 51 17.923 42.570 -9.881 424 HG3 GLN 51 HG3 GLN 51 17.789 41.621 -8.397 425 HE21 GLN 51 HE21 GLN 51 18.192 44.169 -7.889 426 HE22 GLN 51 HE22 GLN 51 19.857 44.514 -7.463 427 H SER 52 H SER 52 15.455 40.134 -9.937 428 HA SER 52 HA SER 52 14.749 41.126 -12.583 429 HB2 SER 52 HB2 SER 52 13.203 39.704 -11.378 430 HB3 SER 52 HB3 SER 52 13.156 40.854 -10.016 431 HG SER 52 HG SER 52 11.392 41.143 -11.436 432 H SER 53 H SER 53 13.502 43.183 -12.844 433 HA SER 53 HA SER 53 15.087 45.411 -11.988 434 HB2 SER 53 HB2 SER 53 12.324 45.272 -13.261 435 HB3 SER 53 HB3 SER 53 13.331 46.733 -13.140 436 HG SER 53 HG SER 53 14.868 45.730 -14.427 437 H PHE 54 H PHE 54 12.429 43.734 -10.496 438 HA PHE 54 HA PHE 54 11.809 46.026 -8.833 439 HB2 PHE 54 HB2 PHE 54 10.148 44.466 -7.714 440 HB3 PHE 54 HB3 PHE 54 9.861 45.159 -9.301 441 HD1 PHE 54 HD1 PHE 54 11.368 42.052 -7.830 442 HD2 PHE 54 HD2 PHE 54 9.031 43.809 -10.976 443 HE1 PHE 54 HE1 PHE 54 10.893 39.787 -8.743 444 HE2 PHE 54 HE2 PHE 54 8.561 41.552 -11.891 445 HZ PHE 54 HZ PHE 54 9.478 39.543 -10.773 446 H GLY 55 H GLY 55 14.437 44.339 -8.637 447 HA2 GLY 55 HA2 GLY 55 15.984 44.339 -6.937 448 HA3 GLY 55 HA3 GLY 55 14.791 45.086 -5.861 449 H ALA 56 H ALA 56 14.597 41.958 -7.650 450 HA ALA 56 HA ALA 56 14.625 40.546 -5.032 451 HB1 ALA 56 HB1 ALA 56 12.561 40.177 -7.233 452 HB2 ALA 56 HB2 ALA 56 12.647 39.260 -5.719 453 HB3 ALA 56 HB3 ALA 56 12.275 40.996 -5.675 454 H THR 57 H THR 57 14.941 38.269 -5.161 455 HA THR 57 HA THR 57 16.535 37.357 -7.540 456 HB THR 57 HB THR 57 16.908 37.097 -4.537 457 HG1 THR 57 HG1 THR 57 17.977 38.774 -5.616 458 HG21 THR 57 HG21 THR 57 18.197 35.392 -6.707 459 HG22 THR 57 HG22 THR 57 18.709 35.459 -5.001 460 HG23 THR 57 HG23 THR 57 17.110 34.815 -5.418 461 HA PRO 58 HA PRO 58 13.280 34.272 -7.319 462 HB2 PRO 58 HB2 PRO 58 13.988 32.712 -9.400 463 HB3 PRO 58 HB3 PRO 58 13.452 34.410 -9.644 464 HG2 PRO 58 HG2 PRO 58 16.285 33.356 -9.521 465 HG3 PRO 58 HG3 PRO 58 15.573 34.476 -10.735 466 HD2 PRO 58 HD2 PRO 58 17.019 35.321 -8.539 467 HD3 PRO 58 HD3 PRO 58 15.704 36.289 -9.264 468 H VAL 59 H VAL 59 12.981 32.027 -6.850 469 HA VAL 59 HA VAL 59 15.328 30.358 -6.229 470 HB VAL 59 HB VAL 59 14.995 31.420 -4.098 471 HG11 VAL 59 HG11 VAL 59 12.033 30.771 -4.398 472 HG12 VAL 59 HG12 VAL 59 12.805 31.409 -2.930 473 HG13 VAL 59 HG13 VAL 59 12.771 32.393 -4.403 474 HG21 VAL 59 HG21 VAL 59 14.363 29.566 -2.665 475 HG22 VAL 59 HG22 VAL 59 13.494 28.773 -3.990 476 HG23 VAL 59 HG23 VAL 59 15.264 28.939 -4.062 477 H GLU 60 H GLU 60 14.806 28.157 -6.255 478 HA GLU 60 HA GLU 60 12.125 27.489 -7.366 479 HB2 GLU 60 HB2 GLU 60 14.879 26.470 -8.111 480 HB3 GLU 60 HB3 GLU 60 13.373 25.692 -8.644 481 HG2 GLU 60 HG2 GLU 60 12.669 27.678 -9.819 482 HG3 GLU 60 HG3 GLU 60 14.007 28.624 -9.150 483 H ILE 61 H ILE 61 11.366 25.325 -6.929 484 HA ILE 61 HA ILE 61 12.660 23.959 -4.640 485 HB ILE 61 HB ILE 61 9.702 24.619 -4.779 486 HG12 ILE 61 HG12 ILE 61 11.865 25.880 -3.047 487 HG13 ILE 61 HG13 ILE 61 11.002 26.658 -4.388 488 HG21 ILE 61 HG21 ILE 61 10.220 22.505 -3.614 489 HG22 ILE 61 HG22 ILE 61 11.369 23.371 -2.561 490 HG23 ILE 61 HG23 ILE 61 9.630 23.724 -2.486 491 HD11 ILE 61 HD11 ILE 61 8.853 26.302 -3.185 492 HD12 ILE 61 HD12 ILE 61 9.781 25.697 -1.780 493 HD13 ILE 61 HD13 ILE 61 9.989 27.372 -2.322 494 H VAL 62 H VAL 62 12.257 21.733 -4.565 495 HA VAL 62 HA VAL 62 10.571 20.518 -6.680 496 HB VAL 62 HB VAL 62 13.498 19.845 -6.189 497 HG11 VAL 62 HG11 VAL 62 11.390 18.530 -7.945 498 HG12 VAL 62 HG12 VAL 62 13.139 18.183 -8.022 499 HG13 VAL 62 HG13 VAL 62 12.233 17.798 -6.556 500 HG21 VAL 62 HG21 VAL 62 12.049 20.918 -8.644 501 HG22 VAL 62 HG22 VAL 62 13.214 21.815 -7.633 502 HG23 VAL 62 HG23 VAL 62 13.760 20.425 -8.586 503 H ALA 63 H ALA 63 9.641 18.594 -6.073 504 HA ALA 63 HA ALA 63 10.599 17.094 -3.774 505 HB1 ALA 63 HB1 ALA 63 9.316 18.920 -2.670 506 HB2 ALA 63 HB2 ALA 63 7.886 18.470 -3.634 507 HB3 ALA 63 HB3 ALA 63 8.562 17.331 -2.444 508 H GLN 64 H GLN 64 9.027 15.186 -3.383 509 HA GLN 64 HA GLN 64 8.456 13.996 -5.953 510 HB2 GLN 64 HB2 GLN 64 9.371 12.746 -4.041 511 HB3 GLN 64 HB3 GLN 64 7.914 13.092 -3.102 512 HG2 GLN 64 HG2 GLN 64 7.819 10.817 -3.995 513 HG3 GLN 64 HG3 GLN 64 6.551 11.798 -4.721 514 HE21 GLN 64 HE21 GLN 64 6.524 10.095 -6.395 515 HE22 GLN 64 HE22 GLN 64 7.701 10.163 -7.691 516 H ASN 65 H ASN 65 6.578 15.872 -3.679 517 HA ASN 65 HA ASN 65 4.146 15.441 -5.298 518 HB2 ASN 65 HB2 ASN 65 4.198 15.092 -2.271 519 HB3 ASN 65 HB3 ASN 65 2.784 14.970 -3.320 520 HD21 ASN 65 HD21 ASN 65 5.294 13.266 -1.776 521 HD22 ASN 65 HD22 ASN 65 5.099 11.735 -2.600 522 H LYS 66 H LYS 66 2.510 17.082 -4.910 523 HA LYS 66 HA LYS 66 3.504 19.701 -4.285 524 HB2 LYS 66 HB2 LYS 66 0.686 18.580 -4.525 525 HB3 LYS 66 HB3 LYS 66 1.057 20.300 -4.316 526 HG2 LYS 66 HG2 LYS 66 2.353 20.322 -6.389 527 HG3 LYS 66 HG3 LYS 66 2.036 18.587 -6.633 528 HD2 LYS 66 HD2 LYS 66 -0.395 19.038 -6.704 529 HD3 LYS 66 HD3 LYS 66 -0.100 20.764 -6.437 530 HE2 LYS 66 HE2 LYS 66 0.918 19.171 -8.822 531 HE3 LYS 66 HE3 LYS 66 -0.532 20.198 -8.824 532 HZ1 LYS 66 HZ1 LYS 66 0.868 22.075 -8.314 533 HZ2 LYS 66 HZ2 LYS 66 2.214 21.134 -8.338 534 HZ3 LYS 66 HZ3 LYS 66 1.343 21.354 -9.708 535 H GLU 67 H GLU 67 2.177 17.095 -2.360 536 HA GLU 67 HA GLU 67 1.300 18.642 -0.120 537 HB2 GLU 67 HB2 GLU 67 2.245 15.753 -0.304 538 HB3 GLU 67 HB3 GLU 67 1.320 16.445 1.037 539 HG2 GLU 67 HG2 GLU 67 0.365 16.206 -1.850 540 HG3 GLU 67 HG3 GLU 67 -0.090 15.141 -0.523 541 H GLN 68 H GLN 68 4.417 18.192 -1.344 542 HA GLN 68 HA GLN 68 5.599 18.819 1.330 543 HB2 GLN 68 HB2 GLN 68 6.837 17.253 -0.962 544 HB3 GLN 68 HB3 GLN 68 7.626 17.645 0.574 545 HG2 GLN 68 HG2 GLN 68 6.134 16.208 1.799 546 HG3 GLN 68 HG3 GLN 68 5.050 16.020 0.405 547 HE21 GLN 68 HE21 GLN 68 8.640 15.728 0.839 548 HE22 GLN 68 HE22 GLN 68 8.735 14.140 0.100 549 H CYS 69 H CYS 69 5.350 19.577 -2.128 550 HA CYS 69 HA CYS 69 7.674 21.333 -2.110 551 HB2 CYS 69 HB2 CYS 69 6.630 20.011 -4.093 552 HB3 CYS 69 HB3 CYS 69 5.400 21.289 -4.140 553 HG CYS 69 HG CYS 69 6.970 23.270 -4.470 554 H GLN 70 H GLN 70 4.102 21.646 -1.809 555 HA GLN 70 HA GLN 70 4.125 24.535 -1.949 556 HB2 GLN 70 HB2 GLN 70 2.083 22.588 -0.796 557 HB3 GLN 70 HB3 GLN 70 1.802 24.313 -1.061 558 HG2 GLN 70 HG2 GLN 70 2.508 22.308 -3.257 559 HG3 GLN 70 HG3 GLN 70 0.861 22.799 -2.847 560 HE21 GLN 70 HE21 GLN 70 1.578 23.145 -5.410 561 HE22 GLN 70 HE22 GLN 70 1.856 24.836 -5.762 562 H GLU 71 H GLU 71 4.513 22.133 0.635 563 HA GLU 71 HA GLU 71 4.076 24.035 2.773 564 HB2 GLU 71 HB2 GLU 71 5.538 21.363 2.777 565 HB3 GLU 71 HB3 GLU 71 4.950 22.236 4.199 566 HG2 GLU 71 HG2 GLU 71 3.209 21.112 1.966 567 HG3 GLU 71 HG3 GLU 71 3.455 20.373 3.547 568 H ALA 72 H ALA 72 6.861 22.934 0.861 569 HA ALA 72 HA ALA 72 8.815 24.306 2.517 570 HB1 ALA 72 HB1 ALA 72 8.940 23.211 -0.322 571 HB2 ALA 72 HB2 ALA 72 10.336 23.730 0.660 572 HB3 ALA 72 HB3 ALA 72 9.367 22.327 1.156 573 H ARG 73 H ARG 73 6.697 25.154 -0.161 574 HA ARG 73 HA ARG 73 8.075 27.589 -0.924 575 HB2 ARG 73 HB2 ARG 73 6.658 26.588 -2.548 576 HB3 ARG 73 HB3 ARG 73 5.340 26.375 -1.386 577 HG2 ARG 73 HG2 ARG 73 4.798 28.141 -2.953 578 HG3 ARG 73 HG3 ARG 73 4.936 28.787 -1.319 579 HD2 ARG 73 HD2 ARG 73 7.247 29.570 -1.831 580 HD3 ARG 73 HD3 ARG 73 7.078 28.946 -3.475 581 HE ARG 73 HE ARG 73 5.961 31.410 -2.404 582 HH11 ARG 73 HH11 ARG 73 5.510 28.894 -4.785 583 HH12 ARG 73 HH12 ARG 73 4.559 29.891 -5.876 584 HH21 ARG 73 HH21 ARG 73 4.683 32.717 -3.789 585 HH22 ARG 73 HH22 ARG 73 4.102 32.058 -5.302 586 H ASN 74 H ASN 74 5.164 26.866 1.035 587 HA ASN 74 HA ASN 74 4.776 29.602 1.824 588 HB2 ASN 74 HB2 ASN 74 3.681 26.930 2.735 589 HB3 ASN 74 HB3 ASN 74 3.237 28.444 3.541 590 HD21 ASN 74 HD21 ASN 74 2.641 26.395 0.832 591 HD22 ASN 74 HD22 ASN 74 1.513 27.449 0.003 592 H ALA 75 H ALA 75 7.018 27.206 2.909 593 HA ALA 75 HA ALA 75 7.320 28.339 5.580 594 HB1 ALA 75 HB1 ALA 75 9.212 26.740 5.709 595 HB2 ALA 75 HB2 ALA 75 7.710 25.959 5.165 596 HB3 ALA 75 HB3 ALA 75 8.990 26.353 3.987 597 H VAL 76 H VAL 76 8.208 29.461 2.520 598 HA VAL 76 HA VAL 76 10.634 30.809 3.616 599 HB VAL 76 HB VAL 76 10.085 29.881 0.776 600 HG11 VAL 76 HG11 VAL 76 12.495 31.304 1.982 601 HG12 VAL 76 HG12 VAL 76 12.476 30.519 0.391 602 HG13 VAL 76 HG13 VAL 76 11.425 31.914 0.691 603 HG21 VAL 76 HG21 VAL 76 10.663 28.053 2.361 604 HG22 VAL 76 HG22 VAL 76 11.967 28.342 1.193 605 HG23 VAL 76 HG23 VAL 76 12.110 28.958 2.852 606 H MET 77 H MET 77 7.441 31.248 2.454 607 HA MET 77 HA MET 77 8.019 33.948 1.405 608 HB2 MET 77 HB2 MET 77 5.473 32.293 1.501 609 HB3 MET 77 HB3 MET 77 5.589 33.926 0.815 610 HG2 MET 77 HG2 MET 77 7.243 31.537 -0.072 611 HG3 MET 77 HG3 MET 77 5.816 32.151 -0.913 612 HE1 MET 77 HE1 MET 77 9.362 31.845 -1.292 613 HE2 MET 77 HE2 MET 77 8.229 31.723 -2.658 614 HE3 MET 77 HE3 MET 77 9.519 32.949 -2.671 615 H SER 78 H SER 78 7.601 32.748 4.469 616 HA SER 78 HA SER 78 6.938 35.432 5.431 617 HB2 SER 78 HB2 SER 78 4.694 34.538 5.059 618 HB3 SER 78 HB3 SER 78 5.092 33.073 5.977 619 HG SER 78 HG SER 78 3.991 34.643 7.244 620 H LEU 79 H LEU 79 7.534 31.980 6.241 621 HA LEU 79 HA LEU 79 8.419 32.718 8.948 622 HB2 LEU 79 HB2 LEU 79 8.483 30.048 7.492 623 HB3 LEU 79 HB3 LEU 79 8.693 30.311 9.232 624 HG LEU 79 HG LEU 79 6.152 30.869 7.625 625 HD11 LEU 79 HD11 LEU 79 6.664 28.468 7.961 626 HD12 LEU 79 HD12 LEU 79 6.810 28.750 9.711 627 HD13 LEU 79 HD13 LEU 79 5.244 28.981 8.896 628 HD21 LEU 79 HD21 LEU 79 6.377 32.447 9.500 629 HD22 LEU 79 HD22 LEU 79 5.126 31.241 9.847 630 HD23 LEU 79 HD23 LEU 79 6.724 31.098 10.614 631 H MET 80 H MET 80 9.812 31.723 5.863 632 HA MET 80 HA MET 80 11.896 31.497 5.080 633 HB2 MET 80 HB2 MET 80 12.571 33.763 6.984 634 HB3 MET 80 HB3 MET 80 13.421 33.308 5.491 635 HG2 MET 80 HG2 MET 80 11.169 33.631 4.302 636 HG3 MET 80 HG3 MET 80 10.623 34.425 5.782 637 HE1 MET 80 HE1 MET 80 12.655 34.552 2.540 638 HE2 MET 80 HE2 MET 80 13.751 35.932 2.734 639 HE3 MET 80 HE3 MET 80 14.023 34.446 3.671 640 H GLN 81 H GLN 81 11.230 30.182 7.868 641 HA GLN 81 HA GLN 81 12.234 28.952 9.441 642 HB2 GLN 81 HB2 GLN 81 12.625 27.680 7.327 643 HB3 GLN 81 HB3 GLN 81 14.243 28.375 7.227 644 HG2 GLN 81 HG2 GLN 81 14.224 26.093 8.156 645 HG3 GLN 81 HG3 GLN 81 14.905 27.247 9.301 646 HE21 GLN 81 HE21 GLN 81 11.432 26.600 8.506 647 HE22 GLN 81 HE22 GLN 81 10.991 26.090 10.122 648 H SER 82 H SER 82 13.031 31.796 9.303 649 HA SER 82 HA SER 82 15.416 31.610 11.023 650 HB2 SER 82 HB2 SER 82 16.265 31.850 8.703 651 HB3 SER 82 HB3 SER 82 15.361 33.367 8.545 652 HG SER 82 HG SER 82 17.563 33.648 9.165 653 H HIS 83 H HIS 83 12.415 32.399 11.031 654 HA HIS 83 HA HIS 83 12.219 35.183 11.520 655 HB2 HIS 83 HB2 HIS 83 10.141 34.507 12.800 656 HB3 HIS 83 HB3 HIS 83 10.244 33.985 11.119 657 HD1 HIS 83 HD1 HIS 83 11.589 32.178 14.308 658 HD2 HIS 83 HD2 HIS 83 9.073 31.722 10.965 659 HE1 HIS 83 HE1 HIS 83 10.704 29.765 14.386 660 HE2 HIS 83 HE2 HIS 83 9.187 29.492 12.335 661 H GLN 84 H GLN 84 12.102 36.375 13.468 662 HA GLN 84 HA GLN 84 14.052 35.614 15.447 663 HB2 GLN 84 HB2 GLN 84 12.091 37.946 15.356 664 HB3 GLN 84 HB3 GLN 84 13.419 37.757 16.499 665 HG2 GLN 84 HG2 GLN 84 14.315 39.178 14.868 666 HG3 GLN 84 HG3 GLN 84 14.994 37.598 14.483 667 HE21 GLN 84 HE21 GLN 84 15.372 38.741 12.358 668 HE22 GLN 84 HE22 GLN 84 14.075 38.725 11.177 669 H ASP 85 H ASP 85 10.853 34.668 15.078 670 HA ASP 85 HA ASP 85 10.004 34.797 17.806 671 HB2 ASP 85 HB2 ASP 85 8.938 33.318 15.406 672 HB3 ASP 85 HB3 ASP 85 8.204 33.212 17.014 673 H LYS 86 H LYS 86 12.539 33.099 16.871 674 HA LYS 86 HA LYS 86 12.232 31.153 19.040 675 HB2 LYS 86 HB2 LYS 86 11.283 29.930 17.154 676 HB3 LYS 86 HB3 LYS 86 12.693 30.307 16.149 677 HG2 LYS 86 HG2 LYS 86 14.151 29.028 17.666 678 HG3 LYS 86 HG3 LYS 86 12.776 28.708 18.743 679 HD2 LYS 86 HD2 LYS 86 11.628 27.481 16.915 680 HD3 LYS 86 HD3 LYS 86 12.985 27.834 15.828 681 HE2 LYS 86 HE2 LYS 86 13.186 25.568 16.724 682 HE3 LYS 86 HE3 LYS 86 14.515 26.587 17.305 683 HZ1 LYS 86 HZ1 LYS 86 12.083 25.930 18.830 684 HZ2 LYS 86 HZ2 LYS 86 13.568 25.259 19.061 685 HZ3 LYS 86 HZ3 LYS 86 13.334 26.852 19.370 Start of MODEL 19 1 H1 SER 1 H SER 1 1.787 10.105 -5.102 2 HA SER 1 HA SER 1 2.316 8.157 -6.372 3 HB2 SER 1 HB2 SER 1 2.889 10.806 -7.751 4 HB3 SER 1 HB3 SER 1 2.510 9.283 -8.579 5 HG SER 1 HG SER 1 0.638 10.551 -8.248 6 H GLY 2 H GLY 2 3.798 7.145 -7.920 7 HA2 GLY 2 HA2 GLY 2 6.436 7.956 -8.422 8 HA3 GLY 2 HA3 GLY 2 6.467 6.974 -6.943 9 H SER 3 H SER 3 7.871 5.948 -8.950 10 HA SER 3 HA SER 3 6.405 3.508 -9.611 11 HB2 SER 3 HB2 SER 3 5.736 4.877 -11.491 12 HB3 SER 3 HB3 SER 3 7.408 5.412 -11.763 13 HG SER 3 HG SER 3 6.710 3.663 -13.136 14 H HIS 4 H HIS 4 7.819 1.792 -10.282 15 HA HIS 4 HA HIS 4 10.440 1.922 -9.116 16 HB2 HIS 4 HB2 HIS 4 9.262 -0.153 -10.998 17 HB3 HIS 4 HB3 HIS 4 10.638 -0.383 -9.916 18 HD1 HIS 4 HD1 HIS 4 9.661 0.434 -7.159 19 HD2 HIS 4 HD2 HIS 4 7.201 -1.389 -10.055 20 HE1 HIS 4 HE1 HIS 4 7.707 -0.648 -5.881 21 HE2 HIS 4 HE2 HIS 4 6.217 -1.750 -7.654 22 H MET 5 H MET 5 9.267 2.993 -12.137 23 HA MET 5 HA MET 5 11.600 2.470 -13.739 24 HB2 MET 5 HB2 MET 5 9.374 2.834 -14.678 25 HB3 MET 5 HB3 MET 5 9.330 4.477 -14.019 26 HG2 MET 5 HG2 MET 5 11.114 5.187 -15.462 27 HG3 MET 5 HG3 MET 5 11.468 3.525 -15.947 28 HE1 MET 5 HE1 MET 5 7.724 5.920 -17.262 29 HE2 MET 5 HE2 MET 5 7.936 5.310 -15.606 30 HE3 MET 5 HE3 MET 5 9.030 6.564 -16.243 31 H LYS 6 H LYS 6 11.055 4.582 -11.113 32 HA LYS 6 HA LYS 6 12.122 6.377 -10.267 33 HB2 LYS 6 HB2 LYS 6 13.898 4.591 -10.292 34 HB3 LYS 6 HB3 LYS 6 14.539 5.320 -11.776 35 HG2 LYS 6 HG2 LYS 6 14.940 7.445 -10.556 36 HG3 LYS 6 HG3 LYS 6 14.204 6.750 -9.104 37 HD2 LYS 6 HD2 LYS 6 15.973 5.009 -9.050 38 HD3 LYS 6 HD3 LYS 6 16.691 5.702 -10.526 39 HE2 LYS 6 HE2 LYS 6 17.036 7.853 -9.334 40 HE3 LYS 6 HE3 LYS 6 16.324 7.155 -7.868 41 HZ1 LYS 6 HZ1 LYS 6 18.109 5.543 -7.855 42 HZ2 LYS 6 HZ2 LYS 6 18.765 6.205 -9.210 43 HZ3 LYS 6 HZ3 LYS 6 18.715 7.074 -7.822 44 H THR 7 H THR 7 10.560 7.154 -12.284 45 HA THR 7 HA THR 7 11.735 8.403 -14.446 46 HB THR 7 HB THR 7 9.272 9.608 -13.291 47 HG1 THR 7 HG1 THR 7 8.130 7.803 -13.962 48 HG21 THR 7 HG21 THR 7 8.561 9.420 -15.664 49 HG22 THR 7 HG22 THR 7 10.076 10.334 -15.516 50 HG23 THR 7 HG23 THR 7 10.108 8.638 -16.056 51 H CYS 8 H CYS 8 12.197 10.485 -15.107 52 HA CYS 8 HA CYS 8 13.717 11.964 -13.138 53 HB2 CYS 8 HB2 CYS 8 14.385 11.580 -15.520 54 HB3 CYS 8 HB3 CYS 8 13.024 12.587 -16.042 55 HG CYS 8 HG CYS 8 15.665 13.350 -14.201 56 H VAL 9 H VAL 9 10.417 12.046 -14.119 57 HA VAL 9 HA VAL 9 9.949 14.866 -13.944 58 HB VAL 9 HB VAL 9 8.011 12.562 -13.547 59 HG11 VAL 9 HG11 VAL 9 7.580 15.491 -14.266 60 HG12 VAL 9 HG12 VAL 9 6.320 14.237 -14.279 61 HG13 VAL 9 HG13 VAL 9 7.089 14.695 -12.747 62 HG21 VAL 9 HG21 VAL 9 7.469 12.909 -15.933 63 HG22 VAL 9 HG22 VAL 9 8.761 14.125 -16.052 64 HG23 VAL 9 HG23 VAL 9 9.162 12.423 -15.731 65 H VAL 10 H VAL 10 9.363 16.174 -12.304 66 HA VAL 10 HA VAL 10 8.856 15.151 -9.590 67 HB VAL 10 HB VAL 10 10.602 16.654 -8.647 68 HG11 VAL 10 HG11 VAL 10 11.794 14.557 -10.494 69 HG12 VAL 10 HG12 VAL 10 12.515 15.216 -9.018 70 HG13 VAL 10 HG13 VAL 10 11.041 14.229 -8.906 71 HG21 VAL 10 HG21 VAL 10 11.601 16.830 -11.525 72 HG22 VAL 10 HG22 VAL 10 10.917 18.166 -10.564 73 HG23 VAL 10 HG23 VAL 10 12.455 17.426 -10.084 74 H GLU 11 H GLU 11 8.197 16.985 -8.165 75 HA GLU 11 HA GLU 11 6.487 18.831 -9.599 76 HB2 GLU 11 HB2 GLU 11 5.874 17.768 -7.421 77 HB3 GLU 11 HB3 GLU 11 7.206 18.628 -6.650 78 HG2 GLU 11 HG2 GLU 11 5.072 19.764 -6.246 79 HG3 GLU 11 HG3 GLU 11 6.179 20.793 -7.148 80 H LYS 12 H LYS 12 6.599 21.158 -9.515 81 HA LYS 12 HA LYS 12 9.130 22.326 -8.565 82 HB2 LYS 12 HB2 LYS 12 8.297 22.191 -11.446 83 HB3 LYS 12 HB3 LYS 12 9.102 23.649 -10.840 84 HG2 LYS 12 HG2 LYS 12 10.946 22.269 -9.930 85 HG3 LYS 12 HG3 LYS 12 10.203 20.813 -10.639 86 HD2 LYS 12 HD2 LYS 12 10.444 21.743 -12.883 87 HD3 LYS 12 HD3 LYS 12 11.051 23.282 -12.217 88 HE2 LYS 12 HE2 LYS 12 12.976 22.111 -11.231 89 HE3 LYS 12 HE3 LYS 12 12.379 20.564 -11.865 90 HZ1 LYS 12 HZ1 LYS 12 14.063 21.511 -13.284 91 HZ2 LYS 12 HZ2 LYS 12 12.631 21.447 -14.085 92 HZ3 LYS 12 HZ3 LYS 12 13.184 22.880 -13.499 93 H ILE 13 H ILE 13 9.090 24.399 -8.011 94 HA ILE 13 HA ILE 13 6.731 26.084 -8.531 95 HB ILE 13 HB ILE 13 7.793 25.454 -5.746 96 HG12 ILE 13 HG12 ILE 13 5.062 24.958 -6.997 97 HG13 ILE 13 HG13 ILE 13 6.270 23.726 -6.588 98 HG21 ILE 13 HG21 ILE 13 7.287 27.841 -5.944 99 HG22 ILE 13 HG22 ILE 13 5.698 27.464 -6.656 100 HG23 ILE 13 HG23 ILE 13 6.050 27.048 -4.964 101 HD11 ILE 13 HD11 ILE 13 4.741 25.497 -4.641 102 HD12 ILE 13 HD12 ILE 13 4.646 23.739 -4.820 103 HD13 ILE 13 HD13 ILE 13 6.129 24.483 -4.180 104 H LYS 14 H LYS 14 7.253 28.349 -8.317 105 HA LYS 14 HA LYS 14 10.073 29.010 -7.739 106 HB2 LYS 14 HB2 LYS 14 10.062 28.525 -10.126 107 HB3 LYS 14 HB3 LYS 14 8.678 29.608 -10.375 108 HG2 LYS 14 HG2 LYS 14 10.039 31.544 -9.659 109 HG3 LYS 14 HG3 LYS 14 11.431 30.468 -9.390 110 HD2 LYS 14 HD2 LYS 14 11.386 29.822 -11.777 111 HD3 LYS 14 HD3 LYS 14 9.998 30.902 -12.046 112 HE2 LYS 14 HE2 LYS 14 11.376 32.836 -11.309 113 HE3 LYS 14 HE3 LYS 14 12.755 31.753 -11.070 114 HZ1 LYS 14 HZ1 LYS 14 12.843 32.853 -13.200 115 HZ2 LYS 14 HZ2 LYS 14 12.690 31.231 -13.402 116 HZ3 LYS 14 HZ3 LYS 14 11.396 32.213 -13.638 117 H GLN 15 H GLN 15 10.337 31.009 -6.831 118 HA GLN 15 HA GLN 15 8.273 33.049 -7.104 119 HB2 GLN 15 HB2 GLN 15 7.268 31.676 -5.370 120 HB3 GLN 15 HB3 GLN 15 8.771 31.672 -4.438 121 HG2 GLN 15 HG2 GLN 15 7.089 33.284 -3.546 122 HG3 GLN 15 HG3 GLN 15 8.593 34.058 -4.033 123 HE21 GLN 15 HE21 GLN 15 7.879 36.106 -4.595 124 HE22 GLN 15 HE22 GLN 15 6.703 36.411 -5.858 125 H TRP 16 H TRP 16 8.936 35.094 -6.407 126 HA TRP 16 HA TRP 16 11.862 35.429 -6.220 127 HB2 TRP 16 HB2 TRP 16 9.608 37.429 -6.619 128 HB3 TRP 16 HB3 TRP 16 11.336 37.767 -6.740 129 HD1 TRP 16 HD1 TRP 16 8.568 35.850 -8.575 130 HE1 TRP 16 HE1 TRP 16 9.240 35.483 -11.009 131 HE3 TRP 16 HE3 TRP 16 13.296 37.765 -8.385 132 HZ2 TRP 16 HZ2 TRP 16 11.545 35.988 -12.685 133 HZ3 TRP 16 HZ3 TRP 16 14.703 37.820 -10.418 134 HH2 TRP 16 HH2 TRP 16 13.853 36.918 -12.569 135 H ILE 17 H ILE 17 12.878 36.602 -4.603 136 HA ILE 17 HA ILE 17 11.232 37.768 -2.442 137 HB ILE 17 HB ILE 17 12.504 36.839 -0.692 138 HG12 ILE 17 HG12 ILE 17 14.370 35.671 -2.778 139 HG13 ILE 17 HG13 ILE 17 14.729 36.974 -1.620 140 HG21 ILE 17 HG21 ILE 17 12.019 34.530 -2.607 141 HG22 ILE 17 HG22 ILE 17 12.058 34.468 -0.828 142 HG23 ILE 17 HG23 ILE 17 10.764 35.354 -1.649 143 HD11 ILE 17 HD11 ILE 17 15.692 34.898 -0.821 144 HD12 ILE 17 HD12 ILE 17 14.360 35.385 0.258 145 HD13 ILE 17 HD13 ILE 17 14.135 34.072 -0.929 146 HA PRO 18 HA PRO 18 14.000 41.092 -3.431 147 HB2 PRO 18 HB2 PRO 18 13.788 42.627 -1.174 148 HB3 PRO 18 HB3 PRO 18 12.468 42.478 -2.383 149 HG2 PRO 18 HG2 PRO 18 12.799 40.922 0.201 150 HG3 PRO 18 HG3 PRO 18 11.335 41.787 -0.386 151 HD2 PRO 18 HD2 PRO 18 11.629 39.120 -0.756 152 HD3 PRO 18 HD3 PRO 18 10.949 40.146 -2.059 153 H THR 19 H THR 19 16.148 41.776 -3.002 154 HA THR 19 HA THR 19 17.728 39.802 -1.768 155 HB THR 19 HB THR 19 19.607 40.972 -2.384 156 HG1 THR 19 HG1 THR 19 19.587 43.187 -2.784 157 HG21 THR 19 HG21 THR 19 17.464 41.964 -4.312 158 HG22 THR 19 HG22 THR 19 19.178 41.662 -4.679 159 HG23 THR 19 HG23 THR 19 18.104 40.301 -4.281 160 H THR 20 H THR 20 16.109 42.416 -0.308 161 HA THR 20 HA THR 20 17.839 42.753 1.920 162 HB THR 20 HB THR 20 16.308 44.177 2.824 163 HG1 THR 20 HG1 THR 20 14.088 43.995 2.474 164 HG21 THR 20 HG21 THR 20 16.918 44.905 0.509 165 HG22 THR 20 HG22 THR 20 15.429 44.136 -0.097 166 HG23 THR 20 HG23 THR 20 15.324 45.498 1.033 167 H GLU 21 H GLU 21 16.038 40.053 1.124 168 HA GLU 21 HA GLU 21 16.439 39.069 3.881 169 HB2 GLU 21 HB2 GLU 21 14.289 38.036 4.016 170 HB3 GLU 21 HB3 GLU 21 14.082 39.766 3.697 171 HG2 GLU 21 HG2 GLU 21 13.738 39.232 1.274 172 HG3 GLU 21 HG3 GLU 21 13.864 37.509 1.660 173 H VAL 22 H VAL 22 17.394 38.658 0.774 174 HA VAL 22 HA VAL 22 17.227 35.788 0.500 175 HB VAL 22 HB VAL 22 19.221 37.884 -0.472 176 HG11 VAL 22 HG11 VAL 22 19.081 34.925 -1.180 177 HG12 VAL 22 HG12 VAL 22 20.039 36.149 -2.049 178 HG13 VAL 22 HG13 VAL 22 20.422 35.763 -0.362 179 HG21 VAL 22 HG21 VAL 22 16.872 37.906 -1.397 180 HG22 VAL 22 HG22 VAL 22 18.114 37.573 -2.618 181 HG23 VAL 22 HG23 VAL 22 17.129 36.241 -1.970 182 H GLY 23 H GLY 23 19.092 37.983 2.531 183 HA2 GLY 23 HA2 GLY 23 21.179 36.157 3.269 184 HA3 GLY 23 HA3 GLY 23 20.663 37.603 4.162 185 H LYS 24 H LYS 24 17.796 36.240 4.035 186 HA LYS 24 HA LYS 24 18.049 34.881 6.609 187 HB2 LYS 24 HB2 LYS 24 15.631 35.250 4.797 188 HB3 LYS 24 HB3 LYS 24 15.602 34.742 6.488 189 HG2 LYS 24 HG2 LYS 24 16.577 37.449 5.478 190 HG3 LYS 24 HG3 LYS 24 15.008 37.118 6.237 191 HD2 LYS 24 HD2 LYS 24 16.155 36.391 8.306 192 HD3 LYS 24 HD3 LYS 24 17.729 36.775 7.566 193 HE2 LYS 24 HE2 LYS 24 17.028 39.123 7.266 194 HE3 LYS 24 HE3 LYS 24 15.456 38.749 7.993 195 HZ1 LYS 24 HZ1 LYS 24 18.057 38.503 9.355 196 HZ2 LYS 24 HZ2 LYS 24 16.962 39.709 9.586 197 HZ3 LYS 24 HZ3 LYS 24 16.595 38.166 10.021 198 H ILE 25 H ILE 25 18.612 33.903 3.459 199 HA ILE 25 HA ILE 25 17.881 31.090 4.142 200 HB ILE 25 HB ILE 25 17.939 32.359 1.387 201 HG12 ILE 25 HG12 ILE 25 15.539 31.645 3.120 202 HG13 ILE 25 HG13 ILE 25 16.060 33.279 2.658 203 HG21 ILE 25 HG21 ILE 25 16.983 29.625 2.337 204 HG22 ILE 25 HG22 ILE 25 16.915 30.228 0.665 205 HG23 ILE 25 HG23 ILE 25 18.476 29.951 1.421 206 HD11 ILE 25 HD11 ILE 25 15.774 32.617 0.243 207 HD12 ILE 25 HD12 ILE 25 15.007 31.115 0.807 208 HD13 ILE 25 HD13 ILE 25 14.270 32.682 1.196 209 H LEU 26 H LEU 26 20.257 33.335 2.732 210 HA LEU 26 HA LEU 26 22.145 31.046 2.413 211 HB2 LEU 26 HB2 LEU 26 22.119 33.667 0.881 212 HB3 LEU 26 HB3 LEU 26 23.129 32.255 0.560 213 HG LEU 26 HG LEU 26 20.090 32.358 0.274 214 HD11 LEU 26 HD11 LEU 26 22.361 32.317 -1.756 215 HD12 LEU 26 HD12 LEU 26 20.635 32.217 -2.145 216 HD13 LEU 26 HD13 LEU 26 21.292 33.697 -1.407 217 HD21 LEU 26 HD21 LEU 26 20.386 30.167 -0.837 218 HD22 LEU 26 HD22 LEU 26 22.121 30.196 -0.428 219 HD23 LEU 26 HD23 LEU 26 20.901 30.098 0.863 220 H GLY 27 H GLY 27 21.548 33.531 4.489 221 HA2 GLY 27 HA2 GLY 27 24.086 34.909 4.496 222 HA3 GLY 27 HA3 GLY 27 22.794 35.048 5.701 223 H ASN 28 H ASN 28 23.588 31.779 5.325 224 HA ASN 28 HA ASN 28 25.767 31.784 7.292 225 HB2 ASN 28 HB2 ASN 28 24.422 30.286 8.826 226 HB3 ASN 28 HB3 ASN 28 23.945 31.983 8.782 227 HD21 ASN 28 HD21 ASN 28 21.879 31.344 9.651 228 HD22 ASN 28 HD22 ASN 28 20.656 30.681 8.589 229 H ARG 29 H ARG 29 26.219 31.025 4.815 230 HA ARG 29 HA ARG 29 26.791 29.339 3.416 231 HB2 ARG 29 HB2 ARG 29 27.016 27.706 5.966 232 HB3 ARG 29 HB3 ARG 29 27.714 27.293 4.396 233 HG2 ARG 29 HG2 ARG 29 29.073 29.369 4.439 234 HG3 ARG 29 HG3 ARG 29 28.368 29.796 6.014 235 HD2 ARG 29 HD2 ARG 29 30.554 28.782 6.352 236 HD3 ARG 29 HD3 ARG 29 29.293 27.720 6.986 237 HE ARG 29 HE ARG 29 29.747 26.144 5.312 238 HH11 ARG 29 HH11 ARG 29 31.591 29.105 4.743 239 HH12 ARG 29 HH12 ARG 29 32.632 28.367 3.548 240 HH21 ARG 29 HH21 ARG 29 31.106 25.209 3.760 241 HH22 ARG 29 HH22 ARG 29 32.359 26.158 2.995 242 H ALA 30 H ALA 30 24.011 29.809 3.912 243 HA ALA 30 HA ALA 30 21.979 29.012 3.460 244 HB1 ALA 30 HB1 ALA 30 21.766 27.448 1.622 245 HB2 ALA 30 HB2 ALA 30 23.072 28.611 1.305 246 HB3 ALA 30 HB3 ALA 30 23.461 26.947 1.805 247 H ALA 31 H ALA 31 23.373 27.871 5.882 248 HA ALA 31 HA ALA 31 22.647 25.142 6.189 249 HB1 ALA 31 HB1 ALA 31 24.240 26.351 7.645 250 HB2 ALA 31 HB2 ALA 31 22.920 27.373 8.254 251 HB3 ALA 31 HB3 ALA 31 22.926 25.632 8.600 252 H VAL 32 H VAL 32 20.749 28.120 6.399 253 HA VAL 32 HA VAL 32 18.526 26.895 7.852 254 HB VAL 32 HB VAL 32 19.046 29.514 6.400 255 HG11 VAL 32 HG11 VAL 32 16.410 28.577 7.590 256 HG12 VAL 32 HG12 VAL 32 16.788 30.259 7.149 257 HG13 VAL 32 HG13 VAL 32 16.705 29.012 5.890 258 HG21 VAL 32 HG21 VAL 32 18.741 30.423 8.651 259 HG22 VAL 32 HG22 VAL 32 18.235 28.829 9.257 260 HG23 VAL 32 HG23 VAL 32 19.908 29.073 8.721 261 H LYS 33 H LYS 33 19.495 27.416 4.432 262 HA LYS 33 HA LYS 33 16.926 26.776 3.333 263 HB2 LYS 33 HB2 LYS 33 18.827 27.911 2.135 264 HB3 LYS 33 HB3 LYS 33 19.683 26.355 2.102 265 HG2 LYS 33 HG2 LYS 33 17.799 25.347 0.824 266 HG3 LYS 33 HG3 LYS 33 16.928 26.889 0.907 267 HD2 LYS 33 HD2 LYS 33 17.984 26.780 -1.259 268 HD3 LYS 33 HD3 LYS 33 18.859 27.978 -0.290 269 HE2 LYS 33 HE2 LYS 33 20.470 26.626 -1.466 270 HE3 LYS 33 HE3 LYS 33 20.569 26.214 0.251 271 HZ1 LYS 33 HZ1 LYS 33 19.180 24.273 -0.230 272 HZ2 LYS 33 HZ2 LYS 33 19.130 24.670 -1.811 273 HZ3 LYS 33 HZ3 LYS 33 20.560 24.251 -1.124 274 H LYS 34 H LYS 34 19.759 24.882 4.331 275 HA LYS 34 HA LYS 34 18.815 22.344 3.346 276 HB2 LYS 34 HB2 LYS 34 20.832 23.073 5.506 277 HB3 LYS 34 HB3 LYS 34 20.615 21.447 4.827 278 HG2 LYS 34 HG2 LYS 34 21.263 22.222 2.609 279 HG3 LYS 34 HG3 LYS 34 21.343 23.900 3.172 280 HD2 LYS 34 HD2 LYS 34 23.115 23.246 4.807 281 HD3 LYS 34 HD3 LYS 34 23.105 21.606 4.138 282 HE2 LYS 34 HE2 LYS 34 23.708 24.150 2.574 283 HE3 LYS 34 HE3 LYS 34 24.920 23.011 3.191 284 HZ1 LYS 34 HZ1 LYS 34 24.423 22.591 0.895 285 HZ2 LYS 34 HZ2 LYS 34 23.945 21.317 1.813 286 HZ3 LYS 34 HZ3 LYS 34 22.825 22.365 1.224 287 H HIS 35 H HIS 35 18.053 24.242 6.211 288 HA HIS 35 HA HIS 35 17.186 22.000 7.817 289 HB2 HIS 35 HB2 HIS 35 17.873 24.236 8.708 290 HB3 HIS 35 HB3 HIS 35 16.414 24.939 7.999 291 HD1 HIS 35 HD1 HIS 35 17.228 22.069 10.513 292 HD2 HIS 35 HD2 HIS 35 14.371 25.031 9.603 293 HE1 HIS 35 HE1 HIS 35 15.452 21.962 12.364 294 HE2 HIS 35 HE2 HIS 35 13.730 23.783 11.813 295 H ILE 36 H ILE 36 15.654 24.110 5.383 296 HA ILE 36 HA ILE 36 12.967 23.134 5.964 297 HB ILE 36 HB ILE 36 14.149 24.731 3.670 298 HG12 ILE 36 HG12 ILE 36 12.372 25.615 5.980 299 HG13 ILE 36 HG13 ILE 36 14.141 25.760 5.978 300 HG21 ILE 36 HG21 ILE 36 11.225 24.158 4.337 301 HG22 ILE 36 HG22 ILE 36 11.795 25.274 3.077 302 HG23 ILE 36 HG23 ILE 36 12.117 23.545 2.919 303 HD11 ILE 36 HD11 ILE 36 12.226 27.100 4.029 304 HD12 ILE 36 HD12 ILE 36 13.167 27.883 5.313 305 HD13 ILE 36 HD13 ILE 36 14.003 27.158 3.922 306 H GLU 37 H GLU 37 15.663 22.254 3.833 307 HA GLU 37 HA GLU 37 14.147 20.560 2.084 308 HB2 GLU 37 HB2 GLU 37 17.090 20.675 2.825 309 HB3 GLU 37 HB3 GLU 37 16.434 19.618 1.559 310 HG2 GLU 37 HG2 GLU 37 15.567 21.535 0.322 311 HG3 GLU 37 HG3 GLU 37 16.053 22.638 1.606 312 H ARG 38 H ARG 38 15.745 19.989 5.240 313 HA ARG 38 HA ARG 38 15.174 17.111 5.036 314 HB2 ARG 38 HB2 ARG 38 16.271 16.941 7.179 315 HB3 ARG 38 HB3 ARG 38 17.260 17.908 6.074 316 HG2 ARG 38 HG2 ARG 38 16.408 19.984 7.117 317 HG3 ARG 38 HG3 ARG 38 15.438 19.024 8.252 318 HD2 ARG 38 HD2 ARG 38 18.464 18.914 7.978 319 HD3 ARG 38 HD3 ARG 38 17.578 19.782 9.244 320 HE ARG 38 HE ARG 38 16.728 17.635 10.073 321 HH11 ARG 38 HH11 ARG 38 19.490 17.477 7.864 322 HH12 ARG 38 HH12 ARG 38 19.998 15.908 8.446 323 HH21 ARG 38 HH21 ARG 38 17.421 15.608 10.804 324 HH22 ARG 38 HH22 ARG 38 18.834 14.860 10.097 325 H GLN 39 H GLN 39 13.506 19.953 6.011 326 HA GLN 39 HA GLN 39 11.848 18.691 8.046 327 HB2 GLN 39 HB2 GLN 39 12.319 21.059 8.192 328 HB3 GLN 39 HB3 GLN 39 11.767 21.317 6.532 329 HG2 GLN 39 HG2 GLN 39 10.087 22.093 8.140 330 HG3 GLN 39 HG3 GLN 39 9.464 20.779 7.144 331 HE21 GLN 39 HE21 GLN 39 7.843 20.307 8.717 332 HE22 GLN 39 HE22 GLN 39 8.233 19.494 10.217 333 H PHE 40 H PHE 40 11.761 19.161 4.554 334 HA PHE 40 HA PHE 40 9.148 17.771 4.509 335 HB2 PHE 40 HB2 PHE 40 9.933 20.189 2.880 336 HB3 PHE 40 HB3 PHE 40 8.509 19.193 2.566 337 HD1 PHE 40 HD1 PHE 40 9.435 22.192 3.914 338 HD2 PHE 40 HD2 PHE 40 7.140 18.706 4.973 339 HE1 PHE 40 HE1 PHE 40 8.126 23.539 5.523 340 HE2 PHE 40 HE2 PHE 40 5.848 20.055 6.592 341 HZ PHE 40 HZ PHE 40 6.346 22.476 6.883 342 H ASN 41 H ASN 41 12.191 17.184 3.879 343 HA ASN 41 HA ASN 41 13.378 15.925 2.457 344 HB2 ASN 41 HB2 ASN 41 10.682 14.684 1.835 345 HB3 ASN 41 HB3 ASN 41 12.253 13.976 1.449 346 HD21 ASN 41 HD21 ASN 41 10.326 12.670 3.044 347 HD22 ASN 41 HD22 ASN 41 10.962 12.533 4.674 348 H CYS 42 H CYS 42 11.987 18.475 1.418 349 HA CYS 42 HA CYS 42 11.950 17.996 -1.485 350 HB2 CYS 42 HB2 CYS 42 11.213 20.333 -1.560 351 HB3 CYS 42 HB3 CYS 42 10.257 19.439 -0.362 352 HG CYS 42 HG CYS 42 10.775 21.856 0.522 353 H VAL 43 H VAL 43 13.029 20.031 -2.668 354 HA VAL 43 HA VAL 43 15.738 20.570 -1.556 355 HB VAL 43 HB VAL 43 15.054 19.733 -4.399 356 HG11 VAL 43 HG11 VAL 43 17.687 20.637 -3.164 357 HG12 VAL 43 HG12 VAL 43 17.504 19.929 -4.783 358 HG13 VAL 43 HG13 VAL 43 16.761 21.494 -4.421 359 HG21 VAL 43 HG21 VAL 43 15.201 17.827 -2.849 360 HG22 VAL 43 HG22 VAL 43 16.605 17.856 -3.934 361 HG23 VAL 43 HG23 VAL 43 16.762 18.420 -2.248 362 H ILE 44 H ILE 44 16.499 22.669 -2.035 363 HA ILE 44 HA ILE 44 14.608 24.439 -3.487 364 HB ILE 44 HB ILE 44 15.871 24.985 -0.777 365 HG12 ILE 44 HG12 ILE 44 12.970 24.595 -1.619 366 HG13 ILE 44 HG13 ILE 44 13.945 23.448 -0.685 367 HG21 ILE 44 HG21 ILE 44 14.065 26.741 -2.503 368 HG22 ILE 44 HG22 ILE 44 14.650 27.135 -0.870 369 HG23 ILE 44 HG23 ILE 44 15.796 27.011 -2.207 370 HD11 ILE 44 HD11 ILE 44 13.091 26.231 0.210 371 HD12 ILE 44 HD12 ILE 44 12.520 24.673 0.832 372 HD13 ILE 44 HD13 ILE 44 14.207 25.171 1.109 373 H THR 45 H THR 45 15.542 26.072 -4.654 374 HA THR 45 HA THR 45 18.464 26.356 -4.520 375 HB THR 45 HB THR 45 17.219 26.029 -7.218 376 HG1 THR 45 HG1 THR 45 16.763 24.136 -6.168 377 HG21 THR 45 HG21 THR 45 19.549 25.397 -7.785 378 HG22 THR 45 HG22 THR 45 19.461 27.021 -7.075 379 HG23 THR 45 HG23 THR 45 20.030 25.646 -6.092 380 H VAL 46 H VAL 46 18.892 28.398 -4.090 381 HA VAL 46 HA VAL 46 17.258 30.522 -5.266 382 HB VAL 46 HB VAL 46 19.817 30.720 -3.646 383 HG11 VAL 46 HG11 VAL 46 17.661 32.749 -4.402 384 HG12 VAL 46 HG12 VAL 46 18.957 33.047 -3.229 385 HG13 VAL 46 HG13 VAL 46 19.364 32.755 -4.926 386 HG21 VAL 46 HG21 VAL 46 16.910 30.924 -2.765 387 HG22 VAL 46 HG22 VAL 46 18.021 29.590 -2.362 388 HG23 VAL 46 HG23 VAL 46 18.335 31.221 -1.750 389 H HIS 47 H HIS 47 17.940 32.006 -6.846 390 HA HIS 47 HA HIS 47 20.285 31.107 -8.451 391 HB2 HIS 47 HB2 HIS 47 17.470 31.825 -9.281 392 HB3 HIS 47 HB3 HIS 47 18.830 31.933 -10.407 393 HD1 HIS 47 HD1 HIS 47 20.179 29.496 -10.814 394 HD2 HIS 47 HD2 HIS 47 16.384 29.465 -8.980 395 HE1 HIS 47 HE1 HIS 47 19.312 27.084 -10.977 396 HE2 HIS 47 HE2 HIS 47 16.986 27.089 -9.896 397 H THR 48 H THR 48 21.283 32.750 -6.918 398 HA THR 48 HA THR 48 20.744 35.494 -7.331 399 HB THR 48 HB THR 48 22.498 36.007 -5.985 400 HG1 THR 48 HG1 THR 48 24.314 34.664 -5.773 401 HG21 THR 48 HG21 THR 48 21.934 33.102 -5.223 402 HG22 THR 48 HG22 THR 48 22.546 34.383 -4.161 403 HG23 THR 48 HG23 THR 48 20.899 34.495 -4.802 404 H GLU 49 H GLU 49 22.073 33.327 -9.500 405 HA GLU 49 HA GLU 49 23.709 35.172 -11.014 406 HB2 GLU 49 HB2 GLU 49 23.620 33.385 -12.713 407 HB3 GLU 49 HB3 GLU 49 23.967 32.728 -11.103 408 HG2 GLU 49 HG2 GLU 49 21.436 32.296 -10.899 409 HG3 GLU 49 HG3 GLU 49 21.349 32.625 -12.636 410 H VAL 50 H VAL 50 20.514 35.304 -10.268 411 HA VAL 50 HA VAL 50 19.832 36.715 -12.780 412 HB VAL 50 HB VAL 50 17.851 35.109 -11.155 413 HG11 VAL 50 HG11 VAL 50 16.473 35.319 -13.221 414 HG12 VAL 50 HG12 VAL 50 16.844 36.888 -12.491 415 HG13 VAL 50 HG13 VAL 50 17.735 36.343 -13.936 416 HG21 VAL 50 HG21 VAL 50 19.430 33.510 -12.084 417 HG22 VAL 50 HG22 VAL 50 17.902 33.436 -12.975 418 HG23 VAL 50 HG23 VAL 50 19.306 34.272 -13.689 419 H GLN 51 H GLN 51 18.523 38.543 -12.586 420 HA GLN 51 HA GLN 51 17.391 39.222 -9.990 421 HB2 GLN 51 HB2 GLN 51 18.491 41.427 -9.851 422 HB3 GLN 51 HB3 GLN 51 19.650 40.097 -9.716 423 HG2 GLN 51 HG2 GLN 51 20.232 40.403 -12.134 424 HG3 GLN 51 HG3 GLN 51 19.127 41.785 -12.205 425 HE21 GLN 51 HE21 GLN 51 21.527 42.493 -12.948 426 HE22 GLN 51 HE22 GLN 51 22.427 43.296 -11.682 427 H SER 52 H SER 52 15.464 40.079 -10.302 428 HA SER 52 HA SER 52 14.606 40.864 -12.987 429 HB2 SER 52 HB2 SER 52 13.122 39.560 -11.576 430 HB3 SER 52 HB3 SER 52 13.185 40.814 -10.307 431 HG SER 52 HG SER 52 11.331 41.039 -11.602 432 H SER 53 H SER 53 13.288 42.934 -13.219 433 HA SER 53 HA SER 53 15.004 45.169 -12.687 434 HB2 SER 53 HB2 SER 53 13.229 46.462 -13.769 435 HB3 SER 53 HB3 SER 53 13.514 44.955 -14.668 436 HG SER 53 HG SER 53 11.284 45.382 -14.313 437 H PHE 54 H PHE 54 12.489 43.631 -10.834 438 HA PHE 54 HA PHE 54 12.117 46.002 -9.208 439 HB2 PHE 54 HB2 PHE 54 10.594 44.513 -7.819 440 HB3 PHE 54 HB3 PHE 54 10.115 45.119 -9.400 441 HD1 PHE 54 HD1 PHE 54 11.788 42.098 -7.925 442 HD2 PHE 54 HD2 PHE 54 9.111 43.679 -10.892 443 HE1 PHE 54 HE1 PHE 54 11.216 39.782 -8.642 444 HE2 PHE 54 HE2 PHE 54 8.548 41.373 -11.612 445 HZ PHE 54 HZ PHE 54 9.589 39.426 -10.482 446 H GLY 55 H GLY 55 14.701 44.176 -9.261 447 HA2 GLY 55 HA2 GLY 55 16.465 44.199 -7.791 448 HA3 GLY 55 HA3 GLY 55 15.500 45.171 -6.672 449 H ALA 56 H ALA 56 14.925 41.849 -7.989 450 HA ALA 56 HA ALA 56 15.255 40.785 -5.242 451 HB1 ALA 56 HB1 ALA 56 13.105 39.596 -5.407 452 HB2 ALA 56 HB2 ALA 56 12.860 41.351 -5.523 453 HB3 ALA 56 HB3 ALA 56 12.805 40.335 -6.990 454 H THR 57 H THR 57 15.403 38.504 -5.103 455 HA THR 57 HA THR 57 16.596 37.292 -7.509 456 HB THR 57 HB THR 57 17.016 36.317 -4.706 457 HG1 THR 57 HG1 THR 57 18.868 37.624 -4.731 458 HG21 THR 57 HG21 THR 57 17.714 34.816 -6.532 459 HG22 THR 57 HG22 THR 57 18.632 36.141 -7.278 460 HG23 THR 57 HG23 THR 57 19.132 35.501 -5.690 461 HA PRO 58 HA PRO 58 13.220 34.408 -7.475 462 HB2 PRO 58 HB2 PRO 58 13.925 32.835 -9.566 463 HB3 PRO 58 HB3 PRO 58 13.431 34.543 -9.799 464 HG2 PRO 58 HG2 PRO 58 16.240 33.425 -9.651 465 HG3 PRO 58 HG3 PRO 58 15.560 34.584 -10.846 466 HD2 PRO 58 HD2 PRO 58 17.014 35.344 -8.626 467 HD3 PRO 58 HD3 PRO 58 15.734 36.366 -9.342 468 H VAL 59 H VAL 59 12.819 32.218 -6.958 469 HA VAL 59 HA VAL 59 15.090 30.516 -6.167 470 HB VAL 59 HB VAL 59 12.767 30.981 -4.287 471 HG11 VAL 59 HG11 VAL 59 14.282 29.904 -2.659 472 HG12 VAL 59 HG12 VAL 59 13.897 28.841 -4.020 473 HG13 VAL 59 HG13 VAL 59 15.480 29.647 -3.951 474 HG21 VAL 59 HG21 VAL 59 15.535 32.247 -4.199 475 HG22 VAL 59 HG22 VAL 59 13.975 33.096 -4.391 476 HG23 VAL 59 HG23 VAL 59 14.350 32.270 -2.869 477 H GLU 60 H GLU 60 14.642 28.294 -6.163 478 HA GLU 60 HA GLU 60 12.007 27.535 -7.342 479 HB2 GLU 60 HB2 GLU 60 14.796 26.566 -8.033 480 HB3 GLU 60 HB3 GLU 60 13.312 25.756 -8.574 481 HG2 GLU 60 HG2 GLU 60 12.574 27.763 -9.743 482 HG3 GLU 60 HG3 GLU 60 13.958 28.680 -9.133 483 H ILE 61 H ILE 61 11.256 25.396 -6.864 484 HA ILE 61 HA ILE 61 12.566 24.055 -4.563 485 HB ILE 61 HB ILE 61 9.600 24.670 -4.767 486 HG12 ILE 61 HG12 ILE 61 11.714 25.936 -2.976 487 HG13 ILE 61 HG13 ILE 61 10.861 26.720 -4.323 488 HG21 ILE 61 HG21 ILE 61 9.464 23.756 -2.495 489 HG22 ILE 61 HG22 ILE 61 10.117 22.554 -3.600 490 HG23 ILE 61 HG23 ILE 61 11.216 23.424 -2.504 491 HD11 ILE 61 HD11 ILE 61 9.611 25.730 -1.736 492 HD12 ILE 61 HD12 ILE 61 9.815 27.408 -2.269 493 HD13 ILE 61 HD13 ILE 61 8.698 26.344 -3.148 494 H VAL 62 H VAL 62 12.226 21.807 -4.507 495 HA VAL 62 HA VAL 62 10.592 20.590 -6.656 496 HB VAL 62 HB VAL 62 13.509 19.900 -6.149 497 HG11 VAL 62 HG11 VAL 62 13.199 18.396 -8.108 498 HG12 VAL 62 HG12 VAL 62 12.192 17.915 -6.733 499 HG13 VAL 62 HG13 VAL 62 11.458 18.779 -8.099 500 HG21 VAL 62 HG21 VAL 62 13.331 21.979 -7.440 501 HG22 VAL 62 HG22 VAL 62 13.868 20.648 -8.480 502 HG23 VAL 62 HG23 VAL 62 12.178 21.197 -8.555 503 H ALA 63 H ALA 63 9.733 18.605 -6.148 504 HA ALA 63 HA ALA 63 10.685 17.052 -3.886 505 HB1 ALA 63 HB1 ALA 63 8.599 17.191 -2.587 506 HB2 ALA 63 HB2 ALA 63 9.323 18.803 -2.743 507 HB3 ALA 63 HB3 ALA 63 7.929 18.351 -3.755 508 H GLN 64 H GLN 64 9.183 15.094 -3.568 509 HA GLN 64 HA GLN 64 8.694 13.900 -6.148 510 HB2 GLN 64 HB2 GLN 64 9.578 12.632 -4.280 511 HB3 GLN 64 HB3 GLN 64 8.154 13.001 -3.290 512 HG2 GLN 64 HG2 GLN 64 6.721 11.671 -4.701 513 HG3 GLN 64 HG3 GLN 64 7.993 11.492 -5.926 514 HE21 GLN 64 HE21 GLN 64 6.897 9.199 -5.204 515 HE22 GLN 64 HE22 GLN 64 7.926 8.287 -4.111 516 H ASN 65 H ASN 65 6.718 15.811 -3.997 517 HA ASN 65 HA ASN 65 4.386 15.414 -5.723 518 HB2 ASN 65 HB2 ASN 65 2.932 14.769 -3.767 519 HB3 ASN 65 HB3 ASN 65 4.078 13.526 -4.276 520 HD21 ASN 65 HD21 ASN 65 4.426 12.414 -2.381 521 HD22 ASN 65 HD22 ASN 65 5.081 13.155 -0.934 522 H LYS 66 H LYS 66 2.548 16.826 -5.072 523 HA LYS 66 HA LYS 66 3.475 19.467 -4.350 524 HB2 LYS 66 HB2 LYS 66 0.676 18.318 -4.728 525 HB3 LYS 66 HB3 LYS 66 1.058 20.041 -4.550 526 HG2 LYS 66 HG2 LYS 66 2.470 19.945 -6.573 527 HG3 LYS 66 HG3 LYS 66 2.081 18.222 -6.772 528 HD2 LYS 66 HD2 LYS 66 -0.325 18.795 -6.969 529 HD3 LYS 66 HD3 LYS 66 0.072 20.520 -6.799 530 HE2 LYS 66 HE2 LYS 66 1.505 20.381 -8.818 531 HE3 LYS 66 HE3 LYS 66 1.083 18.669 -8.997 532 HZ1 LYS 66 HZ1 LYS 66 -0.822 20.920 -9.101 533 HZ2 LYS 66 HZ2 LYS 66 -0.271 20.066 -10.389 534 HZ3 LYS 66 HZ3 LYS 66 -1.212 19.330 -9.262 535 H GLU 67 H GLU 67 2.355 16.741 -2.561 536 HA GLU 67 HA GLU 67 1.136 18.087 -0.357 537 HB2 GLU 67 HB2 GLU 67 0.716 15.738 -0.892 538 HB3 GLU 67 HB3 GLU 67 2.424 15.352 -0.685 539 HG2 GLU 67 HG2 GLU 67 1.172 14.584 1.233 540 HG3 GLU 67 HG3 GLU 67 2.279 15.860 1.722 541 H GLN 68 H GLN 68 4.432 17.832 -1.323 542 HA GLN 68 HA GLN 68 5.296 18.718 1.405 543 HB2 GLN 68 HB2 GLN 68 6.777 16.975 -0.593 544 HB3 GLN 68 HB3 GLN 68 7.448 17.584 0.926 545 HG2 GLN 68 HG2 GLN 68 5.916 16.275 2.234 546 HG3 GLN 68 HG3 GLN 68 4.915 15.890 0.824 547 HE21 GLN 68 HE21 GLN 68 8.512 15.787 1.087 548 HE22 GLN 68 HE22 GLN 68 8.633 14.074 0.737 549 H CYS 69 H CYS 69 5.350 19.292 -2.090 550 HA CYS 69 HA CYS 69 7.629 21.076 -2.030 551 HB2 CYS 69 HB2 CYS 69 6.582 19.808 -4.035 552 HB3 CYS 69 HB3 CYS 69 5.332 21.069 -4.032 553 HG CYS 69 HG CYS 69 8.608 21.318 -4.317 554 H GLN 70 H GLN 70 4.072 21.400 -1.695 555 HA GLN 70 HA GLN 70 4.080 24.287 -1.788 556 HB2 GLN 70 HB2 GLN 70 2.054 22.274 -0.746 557 HB3 GLN 70 HB3 GLN 70 1.761 24.012 -0.875 558 HG2 GLN 70 HG2 GLN 70 2.516 22.220 -3.226 559 HG3 GLN 70 HG3 GLN 70 0.860 22.657 -2.798 560 HE21 GLN 70 HE21 GLN 70 1.618 23.273 -5.304 561 HE22 GLN 70 HE22 GLN 70 1.908 24.991 -5.482 562 H GLU 71 H GLU 71 4.551 21.885 0.777 563 HA GLU 71 HA GLU 71 3.971 23.702 2.938 564 HB2 GLU 71 HB2 GLU 71 5.656 21.162 2.864 565 HB3 GLU 71 HB3 GLU 71 5.052 21.959 4.325 566 HG2 GLU 71 HG2 GLU 71 3.322 20.767 2.122 567 HG3 GLU 71 HG3 GLU 71 3.677 20.009 3.677 568 H ALA 72 H ALA 72 6.850 22.919 1.016 569 HA ALA 72 HA ALA 72 8.638 24.482 2.719 570 HB1 ALA 72 HB1 ALA 72 10.267 24.014 0.917 571 HB2 ALA 72 HB2 ALA 72 9.417 22.531 1.422 572 HB3 ALA 72 HB3 ALA 72 8.970 23.344 -0.091 573 H ARG 73 H ARG 73 6.584 25.025 -0.101 574 HA ARG 73 HA ARG 73 7.808 27.498 -0.935 575 HB2 ARG 73 HB2 ARG 73 6.489 26.211 -2.501 576 HB3 ARG 73 HB3 ARG 73 5.115 26.169 -1.392 577 HG2 ARG 73 HG2 ARG 73 4.704 27.746 -3.202 578 HG3 ARG 73 HG3 ARG 73 4.754 28.570 -1.638 579 HD2 ARG 73 HD2 ARG 73 6.947 29.464 -2.076 580 HD3 ARG 73 HD3 ARG 73 7.178 28.386 -3.462 581 HE ARG 73 HE ARG 73 6.127 29.916 -4.787 582 HH11 ARG 73 HH11 ARG 73 5.038 30.472 -1.464 583 HH12 ARG 73 HH12 ARG 73 4.061 31.858 -1.906 584 HH21 ARG 73 HH21 ARG 73 4.854 31.723 -5.314 585 HH22 ARG 73 HH22 ARG 73 3.941 32.542 -4.068 586 H ASN 74 H ASN 74 5.058 26.663 1.204 587 HA ASN 74 HA ASN 74 4.436 29.469 1.668 588 HB2 ASN 74 HB2 ASN 74 3.417 26.842 2.772 589 HB3 ASN 74 HB3 ASN 74 2.882 28.410 3.419 590 HD21 ASN 74 HD21 ASN 74 2.525 26.118 0.849 591 HD22 ASN 74 HD22 ASN 74 1.371 27.046 -0.091 592 H ALA 75 H ALA 75 6.810 27.326 2.993 593 HA ALA 75 HA ALA 75 6.823 28.539 5.637 594 HB1 ALA 75 HB1 ALA 75 7.540 26.214 5.246 595 HB2 ALA 75 HB2 ALA 75 8.842 26.781 4.179 596 HB3 ALA 75 HB3 ALA 75 8.865 27.190 5.913 597 H VAL 76 H VAL 76 8.426 29.141 2.519 598 HA VAL 76 HA VAL 76 10.491 30.804 3.757 599 HB VAL 76 HB VAL 76 9.783 30.218 0.855 600 HG11 VAL 76 HG11 VAL 76 12.131 30.990 0.397 601 HG12 VAL 76 HG12 VAL 76 11.057 32.296 0.911 602 HG13 VAL 76 HG13 VAL 76 12.216 31.588 2.068 603 HG21 VAL 76 HG21 VAL 76 11.730 28.711 0.951 604 HG22 VAL 76 HG22 VAL 76 11.996 29.145 2.654 605 HG23 VAL 76 HG23 VAL 76 10.537 28.240 2.172 606 H MET 77 H MET 77 7.230 31.283 2.908 607 HA MET 77 HA MET 77 7.609 34.034 1.983 608 HB2 MET 77 HB2 MET 77 5.120 32.406 2.602 609 HB3 MET 77 HB3 MET 77 5.113 34.014 1.859 610 HG2 MET 77 HG2 MET 77 6.566 31.612 0.672 611 HG3 MET 77 HG3 MET 77 4.906 32.042 0.284 612 HE1 MET 77 HE1 MET 77 8.378 32.161 -0.842 613 HE2 MET 77 HE2 MET 77 8.722 33.803 -1.431 614 HE3 MET 77 HE3 MET 77 8.622 33.489 0.313 615 H SER 78 H SER 78 7.656 32.686 5.081 616 HA SER 78 HA SER 78 7.267 35.351 6.216 617 HB2 SER 78 HB2 SER 78 4.943 34.640 6.078 618 HB3 SER 78 HB3 SER 78 5.342 33.093 6.860 619 HG SER 78 HG SER 78 4.478 34.653 8.318 620 H LEU 79 H LEU 79 7.779 31.835 6.820 621 HA LEU 79 HA LEU 79 8.893 32.433 9.473 622 HB2 LEU 79 HB2 LEU 79 8.766 29.834 7.892 623 HB3 LEU 79 HB3 LEU 79 9.157 29.996 9.611 624 HG LEU 79 HG LEU 79 6.495 30.711 8.297 625 HD11 LEU 79 HD11 LEU 79 7.298 28.444 10.173 626 HD12 LEU 79 HD12 LEU 79 5.656 28.770 9.583 627 HD13 LEU 79 HD13 LEU 79 6.927 28.280 8.441 628 HD21 LEU 79 HD21 LEU 79 6.912 32.167 10.225 629 HD22 LEU 79 HD22 LEU 79 5.696 30.939 10.638 630 HD23 LEU 79 HD23 LEU 79 7.362 30.752 11.216 631 H MET 80 H MET 80 10.011 31.191 6.339 632 HA MET 80 HA MET 80 12.006 30.923 5.363 633 HB2 MET 80 HB2 MET 80 12.910 33.288 7.035 634 HB3 MET 80 HB3 MET 80 13.560 32.738 5.479 635 HG2 MET 80 HG2 MET 80 11.257 33.123 4.492 636 HG3 MET 80 HG3 MET 80 10.789 33.855 6.031 637 HE1 MET 80 HE1 MET 80 13.931 33.967 3.635 638 HE2 MET 80 HE2 MET 80 12.492 34.239 2.619 639 HE3 MET 80 HE3 MET 80 13.672 35.547 2.854 640 H GLN 81 H GLN 81 11.699 30.155 8.550 641 HA GLN 81 HA GLN 81 12.911 29.094 10.103 642 HB2 GLN 81 HB2 GLN 81 14.117 27.878 7.603 643 HB3 GLN 81 HB3 GLN 81 14.429 27.263 9.229 644 HG2 GLN 81 HG2 GLN 81 11.676 27.533 7.949 645 HG3 GLN 81 HG3 GLN 81 12.600 26.031 8.111 646 HE21 GLN 81 HE21 GLN 81 9.959 26.461 9.169 647 HE22 GLN 81 HE22 GLN 81 10.069 26.341 10.910 648 H SER 82 H SER 82 14.083 31.723 9.047 649 HA SER 82 HA SER 82 16.934 31.448 9.408 650 HB2 SER 82 HB2 SER 82 15.902 33.226 8.053 651 HB3 SER 82 HB3 SER 82 15.119 33.889 9.500 652 HG SER 82 HG SER 82 17.178 34.295 10.350 653 H HIS 83 H HIS 83 14.279 31.506 11.586 654 HA HIS 83 HA HIS 83 15.620 32.809 13.791 655 HB2 HIS 83 HB2 HIS 83 13.175 31.006 13.778 656 HB3 HIS 83 HB3 HIS 83 13.656 32.113 15.062 657 HD1 HIS 83 HD1 HIS 83 13.869 34.850 13.964 658 HD2 HIS 83 HD2 HIS 83 11.337 31.954 12.249 659 HE1 HIS 83 HE1 HIS 83 12.121 36.135 12.606 660 HE2 HIS 83 HE2 HIS 83 10.581 34.371 11.557 661 H GLN 84 H GLN 84 16.268 29.894 12.349 662 HA GLN 84 HA GLN 84 16.557 28.246 14.716 663 HB2 GLN 84 HB2 GLN 84 17.622 27.956 11.877 664 HB3 GLN 84 HB3 GLN 84 17.747 26.714 13.134 665 HG2 GLN 84 HG2 GLN 84 15.133 27.880 12.077 666 HG3 GLN 84 HG3 GLN 84 15.821 26.338 11.597 667 HE21 GLN 84 HE21 GLN 84 13.275 26.399 12.600 668 HE22 GLN 84 HE22 GLN 84 13.233 25.684 14.199 669 H ASP 85 H ASP 85 18.394 30.837 13.477 670 HA ASP 85 HA ASP 85 20.967 29.862 14.330 671 HB2 ASP 85 HB2 ASP 85 20.019 32.554 13.388 672 HB3 ASP 85 HB3 ASP 85 21.666 32.275 13.967 673 H LYS 86 H LYS 86 18.632 30.128 16.321 674 HA LYS 86 HA LYS 86 19.545 31.940 18.337 675 HB2 LYS 86 HB2 LYS 86 17.968 30.635 19.790 676 HB3 LYS 86 HB3 LYS 86 17.277 31.324 18.322 677 HG2 LYS 86 HG2 LYS 86 16.381 29.115 18.662 678 HG3 LYS 86 HG3 LYS 86 17.376 29.125 17.201 679 HD2 LYS 86 HD2 LYS 86 19.183 27.981 18.371 680 HD3 LYS 86 HD3 LYS 86 18.330 28.149 19.927 681 HE2 LYS 86 HE2 LYS 86 18.067 25.887 19.052 682 HE3 LYS 86 HE3 LYS 86 16.509 26.723 19.084 683 HZ1 LYS 86 HZ1 LYS 86 18.210 26.419 16.701 684 HZ2 LYS 86 HZ2 LYS 86 16.878 25.519 17.038 685 HZ3 LYS 86 HZ3 LYS 86 16.722 27.123 16.743 Start of MODEL 20 1 H1 SER 1 H SER 1 19.036 5.489 -8.843 2 HA SER 1 HA SER 1 20.014 7.363 -10.871 3 HB2 SER 1 HB2 SER 1 20.793 5.358 -12.061 4 HB3 SER 1 HB3 SER 1 21.570 5.501 -10.470 5 HG SER 1 HG SER 1 20.742 3.392 -10.967 6 H GLY 2 H GLY 2 19.103 6.883 -13.052 7 HA2 GLY 2 HA2 GLY 2 16.214 6.824 -12.866 8 HA3 GLY 2 HA3 GLY 2 17.203 7.069 -14.318 9 H SER 3 H SER 3 18.469 4.276 -13.076 10 HA SER 3 HA SER 3 17.042 2.642 -15.004 11 HB2 SER 3 HB2 SER 3 18.607 0.910 -14.325 12 HB3 SER 3 HB3 SER 3 19.472 2.441 -14.564 13 HG SER 3 HG SER 3 20.056 1.380 -12.612 14 H HIS 4 H HIS 4 16.401 3.532 -11.757 15 HA HIS 4 HA HIS 4 15.285 1.043 -10.821 16 HB2 HIS 4 HB2 HIS 4 14.906 3.919 -9.923 17 HB3 HIS 4 HB3 HIS 4 14.320 2.503 -9.053 18 HD1 HIS 4 HD1 HIS 4 16.110 3.934 -7.236 19 HD2 HIS 4 HD2 HIS 4 17.624 1.477 -10.308 20 HE1 HIS 4 HE1 HIS 4 18.514 3.348 -6.575 21 HE2 HIS 4 HE2 HIS 4 19.434 1.858 -8.460 22 H MET 5 H MET 5 12.992 0.796 -10.247 23 HA MET 5 HA MET 5 11.302 1.165 -12.552 24 HB2 MET 5 HB2 MET 5 11.168 -0.789 -11.091 25 HB3 MET 5 HB3 MET 5 10.706 0.232 -9.716 26 HG2 MET 5 HG2 MET 5 8.653 0.908 -10.863 27 HG3 MET 5 HG3 MET 5 9.111 -0.036 -12.292 28 HE1 MET 5 HE1 MET 5 9.087 -2.625 -12.447 29 HE2 MET 5 HE2 MET 5 10.245 -2.735 -11.103 30 HE3 MET 5 HE3 MET 5 8.760 -3.715 -11.083 31 H LYS 6 H LYS 6 11.899 3.067 -9.663 32 HA LYS 6 HA LYS 6 9.422 4.534 -9.692 33 HB2 LYS 6 HB2 LYS 6 10.819 4.320 -7.691 34 HB3 LYS 6 HB3 LYS 6 12.155 5.158 -8.500 35 HG2 LYS 6 HG2 LYS 6 10.816 7.214 -8.656 36 HG3 LYS 6 HG3 LYS 6 9.418 6.369 -7.946 37 HD2 LYS 6 HD2 LYS 6 10.756 5.963 -5.876 38 HD3 LYS 6 HD3 LYS 6 12.124 6.833 -6.602 39 HE2 LYS 6 HE2 LYS 6 10.711 8.872 -6.784 40 HE3 LYS 6 HE3 LYS 6 9.358 7.997 -6.064 41 HZ1 LYS 6 HZ1 LYS 6 10.509 9.273 -4.412 42 HZ2 LYS 6 HZ2 LYS 6 10.717 7.680 -4.085 43 HZ3 LYS 6 HZ3 LYS 6 11.942 8.542 -4.760 44 H THR 7 H THR 7 8.925 6.495 -10.619 45 HA THR 7 HA THR 7 10.345 7.117 -13.008 46 HB THR 7 HB THR 7 8.634 8.452 -13.647 47 HG1 THR 7 HG1 THR 7 7.306 9.532 -12.129 48 HG21 THR 7 HG21 THR 7 6.533 7.467 -12.963 49 HG22 THR 7 HG22 THR 7 7.755 6.174 -13.087 50 HG23 THR 7 HG23 THR 7 7.261 6.800 -11.489 51 H CYS 8 H CYS 8 11.180 9.093 -13.764 52 HA CYS 8 HA CYS 8 12.845 10.432 -11.752 53 HB2 CYS 8 HB2 CYS 8 12.695 10.620 -14.788 54 HB3 CYS 8 HB3 CYS 8 13.862 11.504 -13.781 55 HG CYS 8 HG CYS 8 15.032 9.517 -12.735 56 H VAL 9 H VAL 9 9.713 10.860 -12.580 57 HA VAL 9 HA VAL 9 9.634 13.654 -13.224 58 HB VAL 9 HB VAL 9 7.393 11.964 -12.094 59 HG11 VAL 9 HG11 VAL 9 6.931 14.394 -12.196 60 HG12 VAL 9 HG12 VAL 9 7.447 14.423 -13.899 61 HG13 VAL 9 HG13 VAL 9 5.989 13.524 -13.422 62 HG21 VAL 9 HG21 VAL 9 8.301 12.276 -14.981 63 HG22 VAL 9 HG22 VAL 9 8.362 10.785 -14.018 64 HG23 VAL 9 HG23 VAL 9 6.795 11.494 -14.441 65 H VAL 10 H VAL 10 9.254 15.444 -11.999 66 HA VAL 10 HA VAL 10 8.820 15.165 -9.109 67 HB VAL 10 HB VAL 10 10.657 16.563 -8.470 68 HG11 VAL 10 HG11 VAL 10 11.744 14.432 -10.356 69 HG12 VAL 10 HG12 VAL 10 12.585 15.170 -8.980 70 HG13 VAL 10 HG13 VAL 10 11.169 14.141 -8.695 71 HG21 VAL 10 HG21 VAL 10 11.367 16.691 -11.423 72 HG22 VAL 10 HG22 VAL 10 10.780 18.035 -10.417 73 HG23 VAL 10 HG23 VAL 10 12.369 17.311 -10.090 74 H GLU 11 H GLU 11 8.116 17.097 -8.080 75 HA GLU 11 HA GLU 11 6.625 18.890 -9.864 76 HB2 GLU 11 HB2 GLU 11 6.787 18.565 -6.844 77 HB3 GLU 11 HB3 GLU 11 5.786 19.791 -7.629 78 HG2 GLU 11 HG2 GLU 11 5.573 16.797 -8.150 79 HG3 GLU 11 HG3 GLU 11 4.557 17.703 -7.025 80 H LYS 12 H LYS 12 6.695 21.239 -9.556 81 HA LYS 12 HA LYS 12 9.212 22.319 -8.465 82 HB2 LYS 12 HB2 LYS 12 8.453 22.308 -11.378 83 HB3 LYS 12 HB3 LYS 12 9.289 23.711 -10.691 84 HG2 LYS 12 HG2 LYS 12 11.076 22.243 -9.826 85 HG3 LYS 12 HG3 LYS 12 10.293 20.839 -10.600 86 HD2 LYS 12 HD2 LYS 12 10.578 21.869 -12.810 87 HD3 LYS 12 HD3 LYS 12 11.192 23.356 -12.067 88 HE2 LYS 12 HE2 LYS 12 13.043 22.022 -12.934 89 HE3 LYS 12 HE3 LYS 12 13.132 22.142 -11.171 90 HZ1 LYS 12 HZ1 LYS 12 12.075 19.838 -12.682 91 HZ2 LYS 12 HZ2 LYS 12 13.532 19.900 -11.928 92 HZ3 LYS 12 HZ3 LYS 12 12.151 19.947 -11.043 93 H ILE 13 H ILE 13 9.223 24.457 -7.999 94 HA ILE 13 HA ILE 13 6.851 26.134 -8.520 95 HB ILE 13 HB ILE 13 7.913 25.416 -5.760 96 HG12 ILE 13 HG12 ILE 13 5.140 25.320 -7.032 97 HG13 ILE 13 HG13 ILE 13 6.162 23.932 -6.622 98 HG21 ILE 13 HG21 ILE 13 6.054 27.703 -6.523 99 HG22 ILE 13 HG22 ILE 13 6.452 27.195 -4.865 100 HG23 ILE 13 HG23 ILE 13 7.715 27.863 -5.889 101 HD11 ILE 13 HD11 ILE 13 6.073 24.670 -4.203 102 HD12 ILE 13 HD12 ILE 13 4.851 25.869 -4.676 103 HD13 ILE 13 HD13 ILE 13 4.519 24.139 -4.890 104 H LYS 14 H LYS 14 7.377 28.370 -8.459 105 HA LYS 14 HA LYS 14 10.157 29.102 -7.811 106 HB2 LYS 14 HB2 LYS 14 10.329 28.567 -10.156 107 HB3 LYS 14 HB3 LYS 14 8.868 29.513 -10.524 108 HG2 LYS 14 HG2 LYS 14 9.980 31.588 -9.923 109 HG3 LYS 14 HG3 LYS 14 11.373 30.703 -9.285 110 HD2 LYS 14 HD2 LYS 14 11.938 31.671 -11.407 111 HD3 LYS 14 HD3 LYS 14 11.926 29.917 -11.568 112 HE2 LYS 14 HE2 LYS 14 9.591 31.700 -12.379 113 HE3 LYS 14 HE3 LYS 14 10.901 31.254 -13.472 114 HZ1 LYS 14 HZ1 LYS 14 9.083 29.346 -12.154 115 HZ2 LYS 14 HZ2 LYS 14 9.057 29.788 -13.731 116 HZ3 LYS 14 HZ3 LYS 14 10.337 28.948 -13.140 117 H GLN 15 H GLN 15 10.337 31.107 -6.943 118 HA GLN 15 HA GLN 15 8.307 33.139 -7.381 119 HB2 GLN 15 HB2 GLN 15 7.146 31.798 -5.712 120 HB3 GLN 15 HB3 GLN 15 8.579 31.772 -4.674 121 HG2 GLN 15 HG2 GLN 15 6.888 33.411 -3.889 122 HG3 GLN 15 HG3 GLN 15 8.430 34.164 -4.293 123 HE21 GLN 15 HE21 GLN 15 7.720 36.221 -4.830 124 HE22 GLN 15 HE22 GLN 15 6.643 36.556 -6.169 125 H TRP 16 H TRP 16 8.950 35.192 -6.662 126 HA TRP 16 HA TRP 16 11.848 35.490 -6.287 127 HB2 TRP 16 HB2 TRP 16 9.624 37.518 -6.696 128 HB3 TRP 16 HB3 TRP 16 11.357 37.844 -6.759 129 HD1 TRP 16 HD1 TRP 16 8.645 35.941 -8.704 130 HE1 TRP 16 HE1 TRP 16 9.366 35.653 -11.133 131 HE3 TRP 16 HE3 TRP 16 13.326 37.974 -8.394 132 HZ2 TRP 16 HZ2 TRP 16 11.689 36.266 -12.764 133 HZ3 TRP 16 HZ3 TRP 16 14.748 38.135 -10.401 134 HH2 TRP 16 HH2 TRP 16 13.946 37.279 -12.592 135 H ILE 17 H ILE 17 12.815 36.576 -4.576 136 HA ILE 17 HA ILE 17 11.080 37.510 -2.369 137 HB ILE 17 HB ILE 17 12.294 36.453 -0.700 138 HG12 ILE 17 HG12 ILE 17 14.453 35.764 -2.712 139 HG13 ILE 17 HG13 ILE 17 14.545 36.982 -1.420 140 HG21 ILE 17 HG21 ILE 17 12.293 34.348 -2.888 141 HG22 ILE 17 HG22 ILE 17 12.174 34.085 -1.134 142 HG23 ILE 17 HG23 ILE 17 10.845 34.889 -1.993 143 HD11 ILE 17 HD11 ILE 17 14.294 33.982 -1.046 144 HD12 ILE 17 HD12 ILE 17 15.704 34.992 -0.694 145 HD13 ILE 17 HD13 ILE 17 14.221 35.188 0.270 146 HA PRO 18 HA PRO 18 13.544 41.106 -2.950 147 HB2 PRO 18 HB2 PRO 18 13.516 42.235 -0.440 148 HB3 PRO 18 HB3 PRO 18 12.087 42.199 -1.529 149 HG2 PRO 18 HG2 PRO 18 12.772 40.258 0.702 150 HG3 PRO 18 HG3 PRO 18 11.218 41.118 0.426 151 HD2 PRO 18 HD2 PRO 18 11.574 38.582 -0.421 152 HD3 PRO 18 HD3 PRO 18 10.735 39.760 -1.483 153 H THR 19 H THR 19 15.694 41.787 -2.759 154 HA THR 19 HA THR 19 17.487 39.775 -2.054 155 HB THR 19 HB THR 19 18.484 42.562 -2.365 156 HG1 THR 19 HG1 THR 19 18.112 42.369 -4.570 157 HG21 THR 19 HG21 THR 19 20.105 40.718 -2.144 158 HG22 THR 19 HG22 THR 19 19.301 39.834 -3.459 159 HG23 THR 19 HG23 THR 19 20.129 41.369 -3.798 160 H THR 20 H THR 20 16.143 42.131 0.052 161 HA THR 20 HA THR 20 18.314 42.004 1.954 162 HB THR 20 HB THR 20 16.754 43.962 1.608 163 HG1 THR 20 HG1 THR 20 18.113 43.854 3.366 164 HG21 THR 20 HG21 THR 20 14.678 43.959 2.917 165 HG22 THR 20 HG22 THR 20 14.618 42.663 1.705 166 HG23 THR 20 HG23 THR 20 14.951 42.279 3.413 167 H GLU 21 H GLU 21 15.859 39.803 1.167 168 HA GLU 21 HA GLU 21 16.018 38.590 3.878 169 HB2 GLU 21 HB2 GLU 21 13.989 38.142 1.668 170 HB3 GLU 21 HB3 GLU 21 13.971 37.374 3.266 171 HG2 GLU 21 HG2 GLU 21 13.695 40.352 2.727 172 HG3 GLU 21 HG3 GLU 21 12.383 39.233 3.118 173 H VAL 22 H VAL 22 17.342 38.318 0.771 174 HA VAL 22 HA VAL 22 17.474 35.458 0.516 175 HB VAL 22 HB VAL 22 19.352 37.677 -0.413 176 HG11 VAL 22 HG11 VAL 22 20.578 35.570 -0.401 177 HG12 VAL 22 HG12 VAL 22 19.228 34.745 -1.211 178 HG13 VAL 22 HG13 VAL 22 20.155 36.003 -2.066 179 HG21 VAL 22 HG21 VAL 22 17.215 36.108 -1.919 180 HG22 VAL 22 HG22 VAL 22 17.017 37.768 -1.318 181 HG23 VAL 22 HG23 VAL 22 18.230 37.415 -2.568 182 H GLY 23 H GLY 23 19.088 37.800 2.573 183 HA2 GLY 23 HA2 GLY 23 21.341 36.170 3.315 184 HA3 GLY 23 HA3 GLY 23 20.725 37.601 4.163 185 H LYS 24 H LYS 24 17.963 35.953 4.114 186 HA LYS 24 HA LYS 24 18.422 34.700 6.724 187 HB2 LYS 24 HB2 LYS 24 15.917 34.718 4.993 188 HB3 LYS 24 HB3 LYS 24 16.022 34.312 6.706 189 HG2 LYS 24 HG2 LYS 24 16.480 37.045 5.441 190 HG3 LYS 24 HG3 LYS 24 15.129 36.546 6.479 191 HD2 LYS 24 HD2 LYS 24 16.848 36.094 8.309 192 HD3 LYS 24 HD3 LYS 24 18.047 36.890 7.267 193 HE2 LYS 24 HE2 LYS 24 15.500 38.106 8.399 194 HE3 LYS 24 HE3 LYS 24 17.157 38.488 8.873 195 HZ1 LYS 24 HZ1 LYS 24 17.514 39.289 6.603 196 HZ2 LYS 24 HZ2 LYS 24 15.924 39.014 6.253 197 HZ3 LYS 24 HZ3 LYS 24 16.334 40.133 7.374 198 H ILE 25 H ILE 25 18.219 33.752 3.353 199 HA ILE 25 HA ILE 25 17.805 30.906 4.031 200 HB ILE 25 HB ILE 25 18.137 32.295 1.353 201 HG12 ILE 25 HG12 ILE 25 15.608 31.524 2.871 202 HG13 ILE 25 HG13 ILE 25 16.165 33.166 2.494 203 HG21 ILE 25 HG21 ILE 25 18.667 29.880 1.317 204 HG22 ILE 25 HG22 ILE 25 17.090 29.531 2.071 205 HG23 ILE 25 HG23 ILE 25 17.176 30.220 0.434 206 HD11 ILE 25 HD11 ILE 25 16.024 32.597 0.051 207 HD12 ILE 25 HD12 ILE 25 15.260 31.053 0.508 208 HD13 ILE 25 HD13 ILE 25 14.462 32.584 0.906 209 H LEU 26 H LEU 26 20.322 33.130 2.871 210 HA LEU 26 HA LEU 26 22.216 30.846 2.639 211 HB2 LEU 26 HB2 LEU 26 22.301 33.504 1.179 212 HB3 LEU 26 HB3 LEU 26 23.338 32.098 0.886 213 HG LEU 26 HG LEU 26 20.329 32.220 0.396 214 HD11 LEU 26 HD11 LEU 26 21.639 33.588 -1.170 215 HD12 LEU 26 HD12 LEU 26 22.742 32.220 -1.461 216 HD13 LEU 26 HD13 LEU 26 21.043 32.129 -1.985 217 HD21 LEU 26 HD21 LEU 26 21.087 29.939 0.990 218 HD22 LEU 26 HD22 LEU 26 20.702 30.047 -0.739 219 HD23 LEU 26 HD23 LEU 26 22.398 30.059 -0.201 220 H GLY 27 H GLY 27 21.519 32.808 4.984 221 HA2 GLY 27 HA2 GLY 27 23.667 34.647 5.247 222 HA3 GLY 27 HA3 GLY 27 22.590 34.083 6.532 223 H ASN 28 H ASN 28 23.645 31.186 5.787 224 HA ASN 28 HA ASN 28 26.425 31.318 6.693 225 HB2 ASN 28 HB2 ASN 28 25.173 31.652 8.809 226 HB3 ASN 28 HB3 ASN 28 24.237 30.187 8.486 227 HD21 ASN 28 HD21 ASN 28 25.072 29.485 10.614 228 HD22 ASN 28 HD22 ASN 28 26.661 28.760 10.700 229 H ARG 29 H ARG 29 26.905 30.096 4.852 230 HA ARG 29 HA ARG 29 27.093 28.275 3.504 231 HB2 ARG 29 HB2 ARG 29 26.755 26.786 6.135 232 HB3 ARG 29 HB3 ARG 29 27.506 26.150 4.667 233 HG2 ARG 29 HG2 ARG 29 28.521 28.502 6.313 234 HG3 ARG 29 HG3 ARG 29 29.202 26.867 6.285 235 HD2 ARG 29 HD2 ARG 29 29.687 27.128 3.853 236 HD3 ARG 29 HD3 ARG 29 29.061 28.783 3.925 237 HE ARG 29 HE ARG 29 30.933 29.474 5.174 238 HH11 ARG 29 HH11 ARG 29 31.075 26.021 4.428 239 HH12 ARG 29 HH12 ARG 29 32.776 25.888 4.817 240 HH21 ARG 29 HH21 ARG 29 33.139 29.272 5.667 241 HH22 ARG 29 HH22 ARG 29 33.944 27.727 5.496 242 H ALA 30 H ALA 30 24.348 29.287 3.875 243 HA ALA 30 HA ALA 30 22.197 28.769 3.471 244 HB1 ALA 30 HB1 ALA 30 23.213 28.232 1.291 245 HB2 ALA 30 HB2 ALA 30 23.393 26.536 1.800 246 HB3 ALA 30 HB3 ALA 30 21.771 27.242 1.626 247 H ALA 31 H ALA 31 23.461 27.448 5.865 248 HA ALA 31 HA ALA 31 22.456 24.806 6.150 249 HB1 ALA 31 HB1 ALA 31 22.986 26.960 8.238 250 HB2 ALA 31 HB2 ALA 31 22.833 25.217 8.555 251 HB3 ALA 31 HB3 ALA 31 24.191 25.830 7.579 252 H VAL 32 H VAL 32 20.870 27.956 6.383 253 HA VAL 32 HA VAL 32 18.570 26.991 7.857 254 HB VAL 32 HB VAL 32 18.930 29.436 6.078 255 HG11 VAL 32 HG11 VAL 32 16.552 28.877 6.455 256 HG12 VAL 32 HG12 VAL 32 16.859 28.764 8.208 257 HG13 VAL 32 HG13 VAL 32 17.001 30.325 7.367 258 HG21 VAL 32 HG21 VAL 32 19.281 30.649 8.199 259 HG22 VAL 32 HG22 VAL 32 19.198 29.116 9.094 260 HG23 VAL 32 HG23 VAL 32 20.534 29.415 7.955 261 H LYS 33 H LYS 33 19.457 27.348 4.414 262 HA LYS 33 HA LYS 33 16.858 26.699 3.373 263 HB2 LYS 33 HB2 LYS 33 18.710 27.835 2.124 264 HB3 LYS 33 HB3 LYS 33 19.607 26.303 2.120 265 HG2 LYS 33 HG2 LYS 33 17.753 25.226 0.858 266 HG3 LYS 33 HG3 LYS 33 16.840 26.751 0.921 267 HD2 LYS 33 HD2 LYS 33 17.897 26.618 -1.243 268 HD3 LYS 33 HD3 LYS 33 18.727 27.868 -0.295 269 HE2 LYS 33 HE2 LYS 33 20.398 26.561 -1.438 270 HE3 LYS 33 HE3 LYS 33 20.496 26.186 0.289 271 HZ1 LYS 33 HZ1 LYS 33 19.195 24.186 -0.177 272 HZ2 LYS 33 HZ2 LYS 33 19.137 24.559 -1.764 273 HZ3 LYS 33 HZ3 LYS 33 20.583 24.213 -1.062 274 H LYS 34 H LYS 34 19.786 24.823 4.178 275 HA LYS 34 HA LYS 34 18.846 22.300 3.226 276 HB2 LYS 34 HB2 LYS 34 20.937 23.065 5.300 277 HB3 LYS 34 HB3 LYS 34 20.725 21.428 4.651 278 HG2 LYS 34 HG2 LYS 34 21.288 22.142 2.418 279 HG3 LYS 34 HG3 LYS 34 21.209 23.852 2.863 280 HD2 LYS 34 HD2 LYS 34 23.122 23.555 4.408 281 HD3 LYS 34 HD3 LYS 34 23.249 21.846 3.916 282 HE2 LYS 34 HE2 LYS 34 23.696 22.495 1.610 283 HE3 LYS 34 HE3 LYS 34 23.389 24.197 1.991 284 HZ1 LYS 34 HZ1 LYS 34 25.576 22.593 3.130 285 HZ2 LYS 34 HZ2 LYS 34 25.737 23.688 1.916 286 HZ3 LYS 34 HZ3 LYS 34 25.295 24.188 3.417 287 H HIS 35 H HIS 35 18.158 24.099 6.172 288 HA HIS 35 HA HIS 35 17.227 21.759 7.631 289 HB2 HIS 35 HB2 HIS 35 18.058 23.874 8.697 290 HB3 HIS 35 HB3 HIS 35 16.620 24.708 8.090 291 HD1 HIS 35 HD1 HIS 35 17.439 21.672 10.386 292 HD2 HIS 35 HD2 HIS 35 14.533 24.639 9.668 293 HE1 HIS 35 HE1 HIS 35 15.684 21.446 12.251 294 HE2 HIS 35 HE2 HIS 35 13.920 23.249 11.799 295 H ILE 36 H ILE 36 15.762 24.212 5.460 296 HA ILE 36 HA ILE 36 13.055 23.305 5.992 297 HB ILE 36 HB ILE 36 14.280 25.001 3.785 298 HG12 ILE 36 HG12 ILE 36 12.537 25.692 6.189 299 HG13 ILE 36 HG13 ILE 36 14.297 25.913 6.107 300 HG21 ILE 36 HG21 ILE 36 11.948 25.596 3.187 301 HG22 ILE 36 HG22 ILE 36 12.220 23.864 2.961 302 HG23 ILE 36 HG23 ILE 36 11.336 24.439 4.386 303 HD11 ILE 36 HD11 ILE 36 13.227 28.033 5.659 304 HD12 ILE 36 HD12 ILE 36 13.978 27.443 4.160 305 HD13 ILE 36 HD13 ILE 36 12.213 27.313 4.394 306 H GLU 37 H GLU 37 15.670 22.423 3.751 307 HA GLU 37 HA GLU 37 14.093 20.673 2.096 308 HB2 GLU 37 HB2 GLU 37 17.041 20.738 2.834 309 HB3 GLU 37 HB3 GLU 37 16.361 19.658 1.603 310 HG2 GLU 37 HG2 GLU 37 15.541 21.589 0.316 311 HG3 GLU 37 HG3 GLU 37 16.137 22.703 1.545 312 H ARG 38 H ARG 38 15.700 20.342 5.247 313 HA ARG 38 HA ARG 38 15.305 17.466 5.401 314 HB2 ARG 38 HB2 ARG 38 17.195 18.584 6.499 315 HB3 ARG 38 HB3 ARG 38 16.093 19.652 7.369 316 HG2 ARG 38 HG2 ARG 38 16.839 18.057 8.919 317 HG3 ARG 38 HG3 ARG 38 15.157 17.653 8.568 318 HD2 ARG 38 HD2 ARG 38 17.592 16.338 7.302 319 HD3 ARG 38 HD3 ARG 38 16.711 15.677 8.690 320 HE ARG 38 HE ARG 38 14.687 15.831 6.974 321 HH11 ARG 38 HH11 ARG 38 17.993 14.722 6.409 322 HH12 ARG 38 HH12 ARG 38 17.533 13.640 5.111 323 HH21 ARG 38 HH21 ARG 38 14.123 14.428 5.246 324 HH22 ARG 38 HH22 ARG 38 15.361 13.458 4.484 325 H GLN 39 H GLN 39 13.484 20.350 6.126 326 HA GLN 39 HA GLN 39 11.713 19.209 8.116 327 HB2 GLN 39 HB2 GLN 39 12.300 21.597 8.026 328 HB3 GLN 39 HB3 GLN 39 11.615 21.709 6.393 329 HG2 GLN 39 HG2 GLN 39 9.373 21.133 7.312 330 HG3 GLN 39 HG3 GLN 39 10.064 21.094 8.942 331 HE21 GLN 39 HE21 GLN 39 7.936 22.799 8.272 332 HE22 GLN 39 HE22 GLN 39 8.505 24.455 8.334 333 H PHE 40 H PHE 40 11.745 19.460 4.596 334 HA PHE 40 HA PHE 40 9.108 18.133 4.562 335 HB2 PHE 40 HB2 PHE 40 9.926 20.515 2.916 336 HB3 PHE 40 HB3 PHE 40 8.558 19.479 2.508 337 HD1 PHE 40 HD1 PHE 40 9.412 22.450 4.092 338 HD2 PHE 40 HD2 PHE 40 6.940 18.972 4.646 339 HE1 PHE 40 HE1 PHE 40 7.929 23.748 5.573 340 HE2 PHE 40 HE2 PHE 40 5.479 20.260 6.172 341 HZ PHE 40 HZ PHE 40 5.958 22.654 6.631 342 H ASN 41 H ASN 41 12.102 17.430 4.002 343 HA ASN 41 HA ASN 41 13.281 16.087 2.639 344 HB2 ASN 41 HB2 ASN 41 10.561 14.903 2.003 345 HB3 ASN 41 HB3 ASN 41 12.121 14.131 1.686 346 HD21 ASN 41 HD21 ASN 41 10.119 12.928 3.271 347 HD22 ASN 41 HD22 ASN 41 10.715 12.837 4.916 348 H CYS 42 H CYS 42 12.025 18.633 1.510 349 HA CYS 42 HA CYS 42 11.948 18.042 -1.384 350 HB2 CYS 42 HB2 CYS 42 11.209 20.347 -1.571 351 HB3 CYS 42 HB3 CYS 42 10.281 19.564 -0.279 352 HG CYS 42 HG CYS 42 11.529 20.517 1.706 353 H VAL 43 H VAL 43 13.058 20.065 -2.616 354 HA VAL 43 HA VAL 43 15.776 20.585 -1.517 355 HB VAL 43 HB VAL 43 15.071 19.701 -4.340 356 HG11 VAL 43 HG11 VAL 43 17.505 19.915 -4.787 357 HG12 VAL 43 HG12 VAL 43 16.754 21.479 -4.435 358 HG13 VAL 43 HG13 VAL 43 17.723 20.657 -3.187 359 HG21 VAL 43 HG21 VAL 43 15.282 17.845 -2.731 360 HG22 VAL 43 HG22 VAL 43 16.649 17.859 -3.861 361 HG23 VAL 43 HG23 VAL 43 16.864 18.472 -2.205 362 H ILE 44 H ILE 44 16.560 22.686 -2.025 363 HA ILE 44 HA ILE 44 14.672 24.445 -3.496 364 HB ILE 44 HB ILE 44 15.916 25.007 -0.782 365 HG12 ILE 44 HG12 ILE 44 13.027 24.570 -1.644 366 HG13 ILE 44 HG13 ILE 44 14.007 23.463 -0.663 367 HG21 ILE 44 HG21 ILE 44 14.078 26.750 -2.490 368 HG22 ILE 44 HG22 ILE 44 14.703 27.142 -0.866 369 HG23 ILE 44 HG23 ILE 44 15.812 27.035 -2.229 370 HD11 ILE 44 HD11 ILE 44 12.529 24.708 0.789 371 HD12 ILE 44 HD12 ILE 44 14.199 25.223 1.097 372 HD13 ILE 44 HD13 ILE 44 13.096 26.255 0.146 373 H THR 45 H THR 45 15.621 26.144 -4.619 374 HA THR 45 HA THR 45 18.539 26.373 -4.446 375 HB THR 45 HB THR 45 17.294 26.197 -7.161 376 HG1 THR 45 HG1 THR 45 17.914 24.035 -7.166 377 HG21 THR 45 HG21 THR 45 20.107 25.755 -6.080 378 HG22 THR 45 HG22 THR 45 19.613 25.600 -7.782 379 HG23 THR 45 HG23 THR 45 19.533 27.180 -6.978 380 H VAL 46 H VAL 46 19.103 28.366 -4.029 381 HA VAL 46 HA VAL 46 17.437 30.572 -4.981 382 HB VAL 46 HB VAL 46 20.037 30.714 -3.426 383 HG11 VAL 46 HG11 VAL 46 19.389 32.829 -4.516 384 HG12 VAL 46 HG12 VAL 46 17.738 32.664 -3.872 385 HG13 VAL 46 HG13 VAL 46 19.101 32.934 -2.765 386 HG21 VAL 46 HG21 VAL 46 18.577 30.996 -1.446 387 HG22 VAL 46 HG22 VAL 46 17.153 30.641 -2.449 388 HG23 VAL 46 HG23 VAL 46 18.387 29.388 -2.174 389 H HIS 47 H HIS 47 18.119 32.232 -6.390 390 HA HIS 47 HA HIS 47 20.420 31.526 -8.137 391 HB2 HIS 47 HB2 HIS 47 17.557 32.094 -8.927 392 HB3 HIS 47 HB3 HIS 47 18.910 32.173 -10.068 393 HD1 HIS 47 HD1 HIS 47 20.400 29.723 -10.134 394 HD2 HIS 47 HD2 HIS 47 16.420 29.751 -8.746 395 HE1 HIS 47 HE1 HIS 47 19.541 27.310 -10.326 396 HE2 HIS 47 HE2 HIS 47 17.111 27.342 -9.516 397 H THR 48 H THR 48 21.124 33.252 -6.422 398 HA THR 48 HA THR 48 20.346 35.931 -6.802 399 HB THR 48 HB THR 48 21.946 36.556 -5.322 400 HG1 THR 48 HG1 THR 48 23.922 35.473 -5.107 401 HG21 THR 48 HG21 THR 48 20.544 34.777 -4.285 402 HG22 THR 48 HG22 THR 48 21.758 33.559 -4.751 403 HG23 THR 48 HG23 THR 48 22.173 34.848 -3.593 404 H GLU 49 H GLU 49 22.103 34.046 -8.997 405 HA GLU 49 HA GLU 49 23.817 36.110 -10.067 406 HB2 GLU 49 HB2 GLU 49 22.712 33.607 -11.399 407 HB3 GLU 49 HB3 GLU 49 24.128 34.548 -11.901 408 HG2 GLU 49 HG2 GLU 49 25.174 34.036 -9.656 409 HG3 GLU 49 HG3 GLU 49 23.805 32.961 -9.325 410 H VAL 50 H VAL 50 20.430 35.445 -10.238 411 HA VAL 50 HA VAL 50 20.000 36.694 -12.837 412 HB VAL 50 HB VAL 50 18.000 35.865 -10.714 413 HG11 VAL 50 HG11 VAL 50 17.709 36.416 -13.692 414 HG12 VAL 50 HG12 VAL 50 16.453 35.703 -12.658 415 HG13 VAL 50 HG13 VAL 50 16.996 37.357 -12.357 416 HG21 VAL 50 HG21 VAL 50 19.087 34.328 -13.110 417 HG22 VAL 50 HG22 VAL 50 19.428 33.958 -11.410 418 HG23 VAL 50 HG23 VAL 50 17.773 33.786 -12.034 419 H GLN 51 H GLN 51 18.776 38.590 -13.200 420 HA GLN 51 HA GLN 51 18.166 40.326 -10.920 421 HB2 GLN 51 HB2 GLN 51 20.453 40.989 -11.395 422 HB3 GLN 51 HB3 GLN 51 20.104 41.082 -13.130 423 HG2 GLN 51 HG2 GLN 51 20.164 43.323 -12.220 424 HG3 GLN 51 HG3 GLN 51 18.522 42.943 -12.729 425 HE21 GLN 51 HE21 GLN 51 18.179 44.896 -11.259 426 HE22 GLN 51 HE22 GLN 51 17.892 44.561 -9.565 427 H SER 52 H SER 52 16.271 41.271 -11.232 428 HA SER 52 HA SER 52 15.342 41.843 -13.992 429 HB2 SER 52 HB2 SER 52 14.443 39.619 -13.348 430 HB3 SER 52 HB3 SER 52 13.702 40.356 -11.909 431 HG SER 52 HG SER 52 12.262 40.210 -13.719 432 H SER 53 H SER 53 13.323 43.202 -13.932 433 HA SER 53 HA SER 53 13.791 45.557 -12.427 434 HB2 SER 53 HB2 SER 53 12.693 45.498 -14.626 435 HB3 SER 53 HB3 SER 53 11.324 44.609 -13.932 436 HG SER 53 HG SER 53 10.941 46.863 -14.088 437 H PHE 54 H PHE 54 12.347 42.609 -11.445 438 HA PHE 54 HA PHE 54 10.378 43.587 -9.626 439 HB2 PHE 54 HB2 PHE 54 12.047 41.058 -9.568 440 HB3 PHE 54 HB3 PHE 54 10.631 41.366 -8.565 441 HD1 PHE 54 HD1 PHE 54 11.694 39.668 -11.327 442 HD2 PHE 54 HD2 PHE 54 8.509 42.267 -10.114 443 HE1 PHE 54 HE1 PHE 54 10.246 38.716 -13.116 444 HE2 PHE 54 HE2 PHE 54 7.062 41.340 -11.911 445 HZ PHE 54 HZ PHE 54 7.930 39.556 -13.405 446 H GLY 55 H GLY 55 13.850 43.725 -9.497 447 HA2 GLY 55 HA2 GLY 55 15.272 44.490 -7.857 448 HA3 GLY 55 HA3 GLY 55 13.846 45.074 -6.959 449 H ALA 56 H ALA 56 14.297 41.711 -7.988 450 HA ALA 56 HA ALA 56 14.755 40.853 -5.188 451 HB1 ALA 56 HB1 ALA 56 12.406 40.079 -6.957 452 HB2 ALA 56 HB2 ALA 56 12.792 39.320 -5.395 453 HB3 ALA 56 HB3 ALA 56 12.332 41.031 -5.453 454 H THR 57 H THR 57 15.045 38.455 -5.067 455 HA THR 57 HA THR 57 16.583 37.439 -7.433 456 HB THR 57 HB THR 57 16.779 37.132 -4.416 457 HG1 THR 57 HG1 THR 57 18.926 37.664 -4.898 458 HG21 THR 57 HG21 THR 57 18.014 35.300 -6.509 459 HG22 THR 57 HG22 THR 57 18.477 35.358 -4.792 460 HG23 THR 57 HG23 THR 57 16.844 34.839 -5.251 461 HA PRO 58 HA PRO 58 13.182 34.479 -7.427 462 HB2 PRO 58 HB2 PRO 58 13.926 32.939 -9.519 463 HB3 PRO 58 HB3 PRO 58 13.409 34.644 -9.739 464 HG2 PRO 58 HG2 PRO 58 16.233 33.563 -9.569 465 HG3 PRO 58 HG3 PRO 58 15.555 34.701 -10.778 466 HD2 PRO 58 HD2 PRO 58 16.961 35.507 -8.542 467 HD3 PRO 58 HD3 PRO 58 15.665 36.499 -9.277 468 H VAL 59 H VAL 59 12.811 32.315 -6.862 469 HA VAL 59 HA VAL 59 15.124 30.656 -6.110 470 HB VAL 59 HB VAL 59 12.809 31.055 -4.207 471 HG11 VAL 59 HG11 VAL 59 14.358 29.989 -2.602 472 HG12 VAL 59 HG12 VAL 59 14.010 28.927 -3.976 473 HG13 VAL 59 HG13 VAL 59 15.562 29.803 -3.898 474 HG21 VAL 59 HG21 VAL 59 14.384 32.380 -2.812 475 HG22 VAL 59 HG22 VAL 59 15.556 32.362 -4.145 476 HG23 VAL 59 HG23 VAL 59 13.989 33.193 -4.333 477 H GLU 60 H GLU 60 14.718 28.404 -6.104 478 HA GLU 60 HA GLU 60 12.121 27.605 -7.331 479 HB2 GLU 60 HB2 GLU 60 14.945 26.709 -7.967 480 HB3 GLU 60 HB3 GLU 60 13.491 25.840 -8.515 481 HG2 GLU 60 HG2 GLU 60 12.715 27.751 -9.762 482 HG3 GLU 60 HG3 GLU 60 14.004 28.777 -9.104 483 H ILE 61 H ILE 61 11.420 25.451 -6.890 484 HA ILE 61 HA ILE 61 12.683 24.105 -4.563 485 HB ILE 61 HB ILE 61 9.716 24.689 -4.809 486 HG12 ILE 61 HG12 ILE 61 11.797 25.958 -2.988 487 HG13 ILE 61 HG13 ILE 61 10.964 26.751 -4.336 488 HG21 ILE 61 HG21 ILE 61 10.250 22.567 -3.650 489 HG22 ILE 61 HG22 ILE 61 11.334 23.447 -2.547 490 HG23 ILE 61 HG23 ILE 61 9.577 23.756 -2.538 491 HD11 ILE 61 HD11 ILE 61 8.787 26.360 -3.196 492 HD12 ILE 61 HD12 ILE 61 9.672 25.717 -1.788 493 HD13 ILE 61 HD13 ILE 61 9.894 27.404 -2.273 494 H VAL 62 H VAL 62 12.351 21.857 -4.529 495 HA VAL 62 HA VAL 62 10.827 20.646 -6.757 496 HB VAL 62 HB VAL 62 13.712 19.962 -6.099 497 HG11 VAL 62 HG11 VAL 62 13.540 18.498 -8.088 498 HG12 VAL 62 HG12 VAL 62 12.425 17.989 -6.804 499 HG13 VAL 62 HG13 VAL 62 11.807 18.887 -8.211 500 HG21 VAL 62 HG21 VAL 62 13.598 22.070 -7.345 501 HG22 VAL 62 HG22 VAL 62 14.204 20.773 -8.385 502 HG23 VAL 62 HG23 VAL 62 12.518 21.317 -8.547 503 H ALA 63 H ALA 63 9.892 18.690 -6.256 504 HA ALA 63 HA ALA 63 10.685 17.144 -3.928 505 HB1 ALA 63 HB1 ALA 63 9.375 18.965 -2.845 506 HB2 ALA 63 HB2 ALA 63 8.006 18.591 -3.919 507 HB3 ALA 63 HB3 ALA 63 8.560 17.396 -2.717 508 H GLN 64 H GLN 64 9.162 15.219 -3.672 509 HA GLN 64 HA GLN 64 8.638 14.090 -6.272 510 HB2 GLN 64 HB2 GLN 64 9.470 12.741 -4.462 511 HB3 GLN 64 HB3 GLN 64 8.091 13.153 -3.426 512 HG2 GLN 64 HG2 GLN 64 6.556 11.931 -4.833 513 HG3 GLN 64 HG3 GLN 64 7.787 11.712 -6.083 514 HE21 GLN 64 HE21 GLN 64 6.376 9.531 -5.083 515 HE22 GLN 64 HE22 GLN 64 7.456 8.529 -4.135 516 H ASN 65 H ASN 65 6.723 16.014 -4.092 517 HA ASN 65 HA ASN 65 4.406 15.757 -5.852 518 HB2 ASN 65 HB2 ASN 65 2.890 15.174 -3.933 519 HB3 ASN 65 HB3 ASN 65 3.970 13.877 -4.453 520 HD21 ASN 65 HD21 ASN 65 4.210 12.700 -2.570 521 HD22 ASN 65 HD22 ASN 65 4.896 13.379 -1.104 522 H LYS 66 H LYS 66 2.684 17.315 -5.282 523 HA LYS 66 HA LYS 66 3.828 19.836 -4.402 524 HB2 LYS 66 HB2 LYS 66 0.990 19.031 -5.156 525 HB3 LYS 66 HB3 LYS 66 1.508 20.690 -4.797 526 HG2 LYS 66 HG2 LYS 66 3.231 20.528 -6.595 527 HG3 LYS 66 HG3 LYS 66 2.585 18.932 -7.035 528 HD2 LYS 66 HD2 LYS 66 1.018 21.551 -7.047 529 HD3 LYS 66 HD3 LYS 66 1.699 20.766 -8.481 530 HE2 LYS 66 HE2 LYS 66 -0.371 19.524 -6.627 531 HE3 LYS 66 HE3 LYS 66 -0.730 20.306 -8.177 532 HZ1 LYS 66 HZ1 LYS 66 -0.558 17.938 -8.412 533 HZ2 LYS 66 HZ2 LYS 66 0.647 18.673 -9.258 534 HZ3 LYS 66 HZ3 LYS 66 0.977 17.935 -7.828 535 H GLU 67 H GLU 67 2.383 17.184 -2.785 536 HA GLU 67 HA GLU 67 1.124 18.577 -0.619 537 HB2 GLU 67 HB2 GLU 67 0.638 16.260 -1.192 538 HB3 GLU 67 HB3 GLU 67 2.309 15.780 -0.860 539 HG2 GLU 67 HG2 GLU 67 2.046 16.312 1.508 540 HG3 GLU 67 HG3 GLU 67 0.432 16.983 1.207 541 H GLN 68 H GLN 68 4.440 18.143 -1.483 542 HA GLN 68 HA GLN 68 5.267 19.054 1.245 543 HB2 GLN 68 HB2 GLN 68 6.753 17.294 -0.723 544 HB3 GLN 68 HB3 GLN 68 7.407 17.882 0.818 545 HG2 GLN 68 HG2 GLN 68 5.831 16.607 2.087 546 HG3 GLN 68 HG3 GLN 68 4.858 16.227 0.652 547 HE21 GLN 68 HE21 GLN 68 8.436 16.086 1.065 548 HE22 GLN 68 HE22 GLN 68 8.560 14.376 0.701 549 H CYS 69 H CYS 69 5.401 19.580 -2.264 550 HA CYS 69 HA CYS 69 7.654 21.380 -2.170 551 HB2 CYS 69 HB2 CYS 69 6.662 20.097 -4.188 552 HB3 CYS 69 HB3 CYS 69 5.394 21.336 -4.206 553 HG CYS 69 HG CYS 69 8.670 21.627 -4.490 554 H GLN 70 H GLN 70 4.078 21.718 -1.942 555 HA GLN 70 HA GLN 70 4.120 24.605 -2.006 556 HB2 GLN 70 HB2 GLN 70 2.060 22.604 -1.008 557 HB3 GLN 70 HB3 GLN 70 1.764 24.338 -1.138 558 HG2 GLN 70 HG2 GLN 70 2.587 22.593 -3.500 559 HG3 GLN 70 HG3 GLN 70 0.908 22.936 -3.068 560 HE21 GLN 70 HE21 GLN 70 1.415 23.652 -5.522 561 HE22 GLN 70 HE22 GLN 70 1.678 25.377 -5.686 562 H GLU 71 H GLU 71 4.477 22.171 0.554 563 HA GLU 71 HA GLU 71 3.921 24.062 2.689 564 HB2 GLU 71 HB2 GLU 71 5.368 21.381 2.724 565 HB3 GLU 71 HB3 GLU 71 4.765 22.259 4.146 566 HG2 GLU 71 HG2 GLU 71 3.056 21.186 1.862 567 HG3 GLU 71 HG3 GLU 71 3.272 20.413 3.434 568 H ALA 72 H ALA 72 6.808 22.965 0.919 569 HA ALA 72 HA ALA 72 8.666 24.370 2.650 570 HB1 ALA 72 HB1 ALA 72 8.913 23.335 -0.203 571 HB2 ALA 72 HB2 ALA 72 10.264 23.854 0.837 572 HB3 ALA 72 HB3 ALA 72 9.304 22.424 1.274 573 H ARG 73 H ARG 73 6.691 25.150 -0.181 574 HA ARG 73 HA ARG 73 7.988 27.631 -0.859 575 HB2 ARG 73 HB2 ARG 73 6.620 26.628 -2.522 576 HB3 ARG 73 HB3 ARG 73 5.298 26.350 -1.393 577 HG2 ARG 73 HG2 ARG 73 4.739 28.148 -2.938 578 HG3 ARG 73 HG3 ARG 73 4.801 28.745 -1.280 579 HD2 ARG 73 HD2 ARG 73 7.123 29.590 -1.704 580 HD3 ARG 73 HD3 ARG 73 6.967 29.081 -3.393 581 HE ARG 73 HE ARG 73 5.789 31.426 -2.136 582 HH11 ARG 73 HH11 ARG 73 5.393 29.079 -4.710 583 HH12 ARG 73 HH12 ARG 73 4.450 30.156 -5.735 584 HH21 ARG 73 HH21 ARG 73 4.530 32.818 -3.445 585 HH22 ARG 73 HH22 ARG 73 3.948 32.263 -4.996 586 H ASN 74 H ASN 74 5.035 26.865 1.047 587 HA ASN 74 HA ASN 74 4.585 29.616 1.744 588 HB2 ASN 74 HB2 ASN 74 3.470 26.967 2.679 589 HB3 ASN 74 HB3 ASN 74 3.007 28.491 3.457 590 HD21 ASN 74 HD21 ASN 74 2.562 26.439 0.683 591 HD22 ASN 74 HD22 ASN 74 1.433 27.479 -0.164 592 H ALA 75 H ALA 75 6.882 27.354 2.957 593 HA ALA 75 HA ALA 75 6.993 28.494 5.637 594 HB1 ALA 75 HB1 ALA 75 7.610 26.160 5.189 595 HB2 ALA 75 HB2 ALA 75 8.900 26.696 4.087 596 HB3 ALA 75 HB3 ALA 75 9.006 27.065 5.822 597 H VAL 76 H VAL 76 8.644 28.997 2.504 598 HA VAL 76 HA VAL 76 10.675 30.720 3.714 599 HB VAL 76 HB VAL 76 10.023 29.999 0.830 600 HG11 VAL 76 HG11 VAL 76 11.281 32.082 0.786 601 HG12 VAL 76 HG12 VAL 76 12.434 31.446 2.001 602 HG13 VAL 76 HG13 VAL 76 12.370 30.760 0.364 603 HG21 VAL 76 HG21 VAL 76 12.203 29.029 2.722 604 HG22 VAL 76 HG22 VAL 76 10.764 28.094 2.251 605 HG23 VAL 76 HG23 VAL 76 11.985 28.519 1.033 606 H MET 77 H MET 77 7.444 31.136 2.959 607 HA MET 77 HA MET 77 7.806 33.916 1.988 608 HB2 MET 77 HB2 MET 77 5.388 32.082 2.060 609 HB3 MET 77 HB3 MET 77 5.375 33.743 1.427 610 HG2 MET 77 HG2 MET 77 7.217 31.542 0.441 611 HG3 MET 77 HG3 MET 77 5.688 31.955 -0.332 612 HE1 MET 77 HE1 MET 77 7.969 31.836 -2.253 613 HE2 MET 77 HE2 MET 77 9.177 33.143 -2.257 614 HE3 MET 77 HE3 MET 77 9.131 31.979 -0.910 615 H SER 78 H SER 78 7.673 32.485 4.948 616 HA SER 78 HA SER 78 6.685 34.968 6.157 617 HB2 SER 78 HB2 SER 78 4.590 33.771 5.803 618 HB3 SER 78 HB3 SER 78 5.257 32.317 6.575 619 HG SER 78 HG SER 78 4.802 34.840 7.794 620 H LEU 79 H LEU 79 8.174 31.740 6.513 621 HA LEU 79 HA LEU 79 9.006 32.492 9.276 622 HB2 LEU 79 HB2 LEU 79 9.052 29.781 7.913 623 HB3 LEU 79 HB3 LEU 79 9.373 30.119 9.617 624 HG LEU 79 HG LEU 79 6.715 30.524 8.168 625 HD11 LEU 79 HD11 LEU 79 7.603 28.497 10.255 626 HD12 LEU 79 HD12 LEU 79 5.966 28.649 9.572 627 HD13 LEU 79 HD13 LEU 79 7.326 28.174 8.528 628 HD21 LEU 79 HD21 LEU 79 7.008 32.171 9.988 629 HD22 LEU 79 HD22 LEU 79 5.801 30.956 10.426 630 HD23 LEU 79 HD23 LEU 79 7.444 30.853 11.109 631 H MET 80 H MET 80 10.211 31.130 6.208 632 HA MET 80 HA MET 80 12.260 30.864 5.328 633 HB2 MET 80 HB2 MET 80 12.994 33.383 6.858 634 HB3 MET 80 HB3 MET 80 13.726 32.766 5.358 635 HG2 MET 80 HG2 MET 80 11.471 32.971 4.265 636 HG3 MET 80 HG3 MET 80 10.877 33.752 5.736 637 HE1 MET 80 HE1 MET 80 13.691 35.503 2.545 638 HE2 MET 80 HE2 MET 80 14.171 34.068 3.483 639 HE3 MET 80 HE3 MET 80 12.727 34.013 2.440 640 H GLN 81 H GLN 81 11.765 30.014 8.351 641 HA GLN 81 HA GLN 81 12.876 29.188 10.104 642 HB2 GLN 81 HB2 GLN 81 14.515 28.121 7.796 643 HB3 GLN 81 HB3 GLN 81 14.853 27.650 9.462 644 HG2 GLN 81 HG2 GLN 81 12.127 27.368 8.130 645 HG3 GLN 81 HG3 GLN 81 13.335 26.084 8.236 646 HE21 GLN 81 HE21 GLN 81 11.172 25.207 9.286 647 HE22 GLN 81 HE22 GLN 81 11.109 25.352 11.033 648 H SER 82 H SER 82 13.809 31.932 9.097 649 HA SER 82 HA SER 82 15.837 32.194 11.180 650 HB2 SER 82 HB2 SER 82 17.172 31.512 9.213 651 HB3 SER 82 HB3 SER 82 16.512 32.885 8.300 652 HG SER 82 HG SER 82 17.458 34.260 9.874 653 H HIS 83 H HIS 83 13.066 33.281 9.894 654 HA HIS 83 HA HIS 83 13.519 35.978 10.945 655 HB2 HIS 83 HB2 HIS 83 14.024 35.897 8.421 656 HB3 HIS 83 HB3 HIS 83 12.294 35.663 8.187 657 HD1 HIS 83 HD1 HIS 83 13.176 38.213 6.894 658 HD2 HIS 83 HD2 HIS 83 12.413 37.963 11.037 659 HE1 HIS 83 HE1 HIS 83 12.721 40.596 7.701 660 HE2 HIS 83 HE2 HIS 83 12.272 40.430 10.223 661 H GLN 84 H GLN 84 11.937 33.375 11.463 662 HA GLN 84 HA GLN 84 9.165 34.005 11.065 663 HB2 GLN 84 HB2 GLN 84 8.775 32.091 12.522 664 HB3 GLN 84 HB3 GLN 84 10.040 31.720 11.338 665 HG2 GLN 84 HG2 GLN 84 11.775 32.157 13.071 666 HG3 GLN 84 HG3 GLN 84 10.500 32.538 14.242 667 HE21 GLN 84 HE21 GLN 84 11.962 30.707 15.265 668 HE22 GLN 84 HE22 GLN 84 11.354 29.078 15.037 669 H ASP 85 H ASP 85 11.486 35.325 13.210 670 HA ASP 85 HA ASP 85 9.668 35.811 15.396 671 HB2 ASP 85 HB2 ASP 85 12.465 36.758 14.784 672 HB3 ASP 85 HB3 ASP 85 11.551 37.316 16.188 673 H LYS 86 H LYS 86 9.490 37.063 12.433 674 HA LYS 86 HA LYS 86 9.247 39.879 12.916 675 HB2 LYS 86 HB2 LYS 86 9.653 38.780 10.716 676 HB3 LYS 86 HB3 LYS 86 8.006 38.144 10.731 677 HG2 LYS 86 HG2 LYS 86 8.677 41.114 10.876 678 HG3 LYS 86 HG3 LYS 86 8.466 40.236 9.360 679 HD2 LYS 86 HD2 LYS 86 6.147 39.610 10.056 680 HD3 LYS 86 HD3 LYS 86 6.339 40.611 11.508 681 HE2 LYS 86 HE2 LYS 86 5.167 41.878 9.811 682 HE3 LYS 86 HE3 LYS 86 6.758 42.596 10.107 683 HZ1 LYS 86 HZ1 LYS 86 6.274 42.455 7.771 684 HZ2 LYS 86 HZ2 LYS 86 7.550 41.479 8.127 685 HZ3 LYS 86 HZ3 LYS 86 6.063 40.831 7.852
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