NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624239 | 5mou | 34078 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.505 0.502 -1.996 3 HB1 ALA 1 HB1 ALA 1 4.050 0.565 -1.894 4 HB2 ALA 1 HB2 ALA 1 3.179 1.829 -1.026 5 HB3 ALA 1 HB3 ALA 1 3.867 0.467 -0.143 6 H ARG 2 H ARG 2 2.890 -0.760 -3.523 7 HA ARG 2 HA ARG 2 3.477 -3.492 -2.737 8 HB2 ARG 2 HB2 ARG 2 2.108 -4.412 -4.628 9 HB3 ARG 2 HB3 ARG 2 1.167 -3.750 -3.299 10 HG2 ARG 2 HG2 ARG 2 1.809 -2.074 -5.691 11 HG3 ARG 2 HG3 ARG 2 0.466 -3.218 -5.718 12 HD2 ARG 2 HD2 ARG 2 -0.325 -2.106 -3.576 13 HD3 ARG 2 HD3 ARG 2 0.854 -0.841 -3.919 14 HE ARG 2 HE ARG 2 -0.496 -0.072 -5.616 15 HH11 ARG 2 HH11 ARG 2 -1.641 -3.165 -4.504 16 HH12 ARG 2 HH12 ARG 2 -3.131 -3.076 -5.384 17 HH21 ARG 2 HH21 ARG 2 -2.453 0.057 -6.780 18 HH22 ARG 2 HH22 ARG 2 -3.591 -1.243 -6.679 19 H ASP 3 H ASP 3 4.036 -4.709 -4.994 20 HA ASP 3 HA ASP 3 6.009 -2.955 -6.291 21 HB2 ASP 3 HB2 ASP 3 6.008 -5.977 -6.194 22 HB3 ASP 3 HB3 ASP 3 7.310 -4.934 -6.758 23 H ALA 4 H ALA 4 5.965 -2.624 -8.439 24 HA ALA 4 HA ALA 4 4.850 -4.366 -10.345 25 HB1 ALA 4 HB1 ALA 4 2.696 -3.835 -10.475 26 HB2 ALA 4 HB2 ALA 4 2.891 -2.960 -8.956 27 HB3 ALA 4 HB3 ALA 4 3.058 -2.109 -10.491 28 H TYR 5 H TYR 5 4.186 -2.835 -12.409 29 HA TYR 5 HA TYR 5 6.652 -1.429 -12.980 30 HB2 TYR 5 HB2 TYR 5 4.389 -1.561 -14.928 31 HB3 TYR 5 HB3 TYR 5 6.123 -1.659 -15.218 32 HD1 TYR 5 HD1 TYR 5 7.299 -3.802 -14.262 33 HD2 TYR 5 HD2 TYR 5 3.124 -3.498 -15.022 34 HE1 TYR 5 HE1 TYR 5 7.147 -6.255 -14.371 35 HE2 TYR 5 HE2 TYR 5 2.960 -5.950 -15.132 36 HH TYR 5 HH TYR 5 5.672 -8.012 -14.316 37 H ILE 6 H ILE 6 6.910 0.721 -13.201 38 HA ILE 6 HA ILE 6 4.866 2.456 -12.188 39 HB ILE 6 HB ILE 6 7.096 3.034 -11.617 40 HG12 ILE 6 HG12 ILE 6 6.577 5.040 -13.778 41 HG13 ILE 6 HG13 ILE 6 5.405 4.855 -12.479 42 HG21 ILE 6 HG21 ILE 6 8.633 2.206 -13.039 43 HG22 ILE 6 HG22 ILE 6 7.616 2.466 -14.455 44 HG23 ILE 6 HG23 ILE 6 8.531 3.808 -13.769 45 HD11 ILE 6 HD11 ILE 6 6.692 5.940 -11.023 46 HD12 ILE 6 HD12 ILE 6 8.151 5.093 -11.538 47 HD13 ILE 6 HD13 ILE 6 7.581 6.497 -12.439 48 H ALA 7 H ALA 7 3.495 3.752 -13.266 49 HA ALA 7 HA ALA 7 3.290 3.424 -16.139 50 HB1 ALA 7 HB1 ALA 7 1.139 4.334 -15.971 51 HB2 ALA 7 HB2 ALA 7 1.336 3.388 -14.495 52 HB3 ALA 7 HB3 ALA 7 1.504 5.143 -14.447 53 H LYS 8 H LYS 8 3.213 5.160 -17.633 54 HA LYS 8 HA LYS 8 4.341 7.706 -16.702 55 HB2 LYS 8 HB2 LYS 8 6.223 7.515 -17.901 56 HB3 LYS 8 HB3 LYS 8 5.830 5.809 -18.065 57 HG2 LYS 8 HG2 LYS 8 4.450 6.570 -20.115 58 HG3 LYS 8 HG3 LYS 8 5.429 8.035 -20.017 59 HD2 LYS 8 HD2 LYS 8 6.744 5.348 -19.979 60 HD3 LYS 8 HD3 LYS 8 6.217 6.052 -21.510 61 HE2 LYS 8 HE2 LYS 8 7.813 7.736 -19.646 62 HE3 LYS 8 HE3 LYS 8 8.643 6.472 -20.552 63 HZ1 LYS 8 HZ1 LYS 8 8.713 8.537 -21.760 64 HZ2 LYS 8 HZ2 LYS 8 7.029 8.683 -21.703 65 HZ3 LYS 8 HZ3 LYS 8 7.739 7.436 -22.599 66 HA PRO 9 HA PRO 9 1.506 9.723 -19.375 67 HB2 PRO 9 HB2 PRO 9 2.988 11.665 -20.558 68 HB3 PRO 9 HB3 PRO 9 2.522 11.716 -18.854 69 HG2 PRO 9 HG2 PRO 9 5.116 10.866 -20.084 70 HG3 PRO 9 HG3 PRO 9 4.834 11.866 -18.647 71 HD2 PRO 9 HD2 PRO 9 5.479 9.241 -18.491 72 HD3 PRO 9 HD3 PRO 9 4.432 10.039 -17.300 73 H HIS 10 H HIS 10 1.565 8.219 -22.508 74 HA HIS 10 HA HIS 10 0.688 8.532 -19.718 75 HB2 HIS 10 HB2 HIS 10 -0.717 9.336 -22.212 76 HB3 HIS 10 HB3 HIS 10 -1.693 8.603 -20.942 77 HD1 HIS 10 HD1 HIS 10 -2.065 9.966 -18.798 78 HD2 HIS 10 HD2 HIS 10 0.332 11.876 -21.603 79 HE1 HIS 10 HE1 HIS 10 -1.869 12.345 -18.007 80 H ASN 11 H ASN 11 0.086 6.685 -18.791 81 HA ASN 11 HA ASN 11 -0.463 4.500 -18.488 82 HB2 ASN 11 HB2 ASN 11 -2.421 5.404 -20.000 83 HB3 ASN 11 HB3 ASN 11 -1.690 4.359 -21.215 84 HD21 ASN 11 HD21 ASN 11 -1.912 2.184 -21.058 85 HD22 ASN 11 HD22 ASN 11 -2.871 1.401 -19.853 86 H CYS 12 H CYS 12 2.025 5.286 -19.898 87 HA CYS 12 HA CYS 12 2.509 2.854 -21.480 88 HB2 CYS 12 HB2 CYS 12 4.493 5.078 -21.389 89 HB3 CYS 12 HB3 CYS 12 4.081 3.995 -22.715 90 H VAL 13 H VAL 13 4.484 1.687 -21.151 91 HA VAL 13 HA VAL 13 5.197 1.527 -18.349 92 HB VAL 13 HB VAL 13 5.983 -0.574 -18.759 93 HG11 VAL 13 HG11 VAL 13 4.602 -1.703 -20.381 94 HG12 VAL 13 HG12 VAL 13 3.661 -0.427 -19.607 95 HG13 VAL 13 HG13 VAL 13 4.302 -0.189 -21.233 96 HG21 VAL 13 HG21 VAL 13 6.902 0.502 -21.404 97 HG22 VAL 13 HG22 VAL 13 7.865 -0.154 -20.080 98 HG23 VAL 13 HG23 VAL 13 6.882 -1.230 -21.073 99 H TYR 14 H TYR 14 7.375 1.549 -17.575 100 HA TYR 14 HA TYR 14 9.025 3.493 -19.000 101 HB2 TYR 14 HB2 TYR 14 8.757 2.616 -16.172 102 HB3 TYR 14 HB3 TYR 14 10.345 3.169 -16.692 103 HD1 TYR 14 HD1 TYR 14 10.406 5.473 -17.913 104 HD2 TYR 14 HD2 TYR 14 7.183 4.167 -15.460 105 HE1 TYR 14 HE1 TYR 14 9.694 7.808 -17.615 106 HE2 TYR 14 HE2 TYR 14 6.462 6.498 -15.156 107 HH TYR 14 HH TYR 14 7.135 8.678 -15.381 108 H GLU 15 H GLU 15 9.941 2.207 -20.607 109 HA GLU 15 HA GLU 15 11.192 -0.279 -20.151 110 HB2 GLU 15 HB2 GLU 15 12.314 0.159 -22.350 111 HB3 GLU 15 HB3 GLU 15 10.561 0.299 -22.383 112 HG2 GLU 15 HG2 GLU 15 10.605 2.567 -22.684 113 HG3 GLU 15 HG3 GLU 15 12.183 2.748 -21.920 114 H CYS 16 H CYS 16 13.067 -0.768 -19.230 115 HA CYS 16 HA CYS 16 14.941 1.408 -18.630 116 HB2 CYS 16 HB2 CYS 16 15.925 -0.506 -17.118 117 HB3 CYS 16 HB3 CYS 16 14.494 0.384 -16.609 118 H TYR 17 H TYR 17 16.966 1.451 -19.423 119 HA TYR 17 HA TYR 17 17.696 -0.651 -21.330 120 HB2 TYR 17 HB2 TYR 17 18.414 2.235 -21.021 121 HB3 TYR 17 HB3 TYR 17 19.545 1.165 -21.842 122 HD1 TYR 17 HD1 TYR 17 16.081 0.260 -22.181 123 HD2 TYR 17 HD2 TYR 17 19.167 2.686 -23.822 124 HE1 TYR 17 HE1 TYR 17 14.786 0.490 -24.259 125 HE2 TYR 17 HE2 TYR 17 17.881 2.924 -25.905 126 HH TYR 17 HH TYR 17 15.504 1.006 -26.826 127 H ASN 18 H ASN 18 18.671 0.818 -18.334 128 HA ASN 18 HA ASN 18 21.123 -0.804 -18.304 129 HB2 ASN 18 HB2 ASN 18 21.012 1.798 -17.827 130 HB3 ASN 18 HB3 ASN 18 20.554 1.256 -16.215 131 HD21 ASN 18 HD21 ASN 18 22.164 -1.197 -16.500 132 HD22 ASN 18 HD22 ASN 18 23.803 -0.699 -16.273 133 HA PRO 19 HA PRO 19 18.274 -3.141 -15.545 134 HB2 PRO 19 HB2 PRO 19 19.271 -5.572 -16.227 135 HB3 PRO 19 HB3 PRO 19 18.016 -4.751 -17.163 136 HG2 PRO 19 HG2 PRO 19 20.962 -4.902 -17.669 137 HG3 PRO 19 HG3 PRO 19 19.620 -5.057 -18.818 138 HD2 PRO 19 HD2 PRO 19 21.044 -2.771 -18.543 139 HD3 PRO 19 HD3 PRO 19 19.322 -2.777 -18.972 140 H LYS 20 H LYS 20 21.744 -3.189 -16.014 141 HA LYS 20 HA LYS 20 22.176 -4.426 -13.405 142 HB2 LYS 20 HB2 LYS 20 23.917 -3.807 -15.760 143 HB3 LYS 20 HB3 LYS 20 24.656 -4.030 -14.180 144 HG2 LYS 20 HG2 LYS 20 24.271 -6.025 -15.907 145 HG3 LYS 20 HG3 LYS 20 24.266 -6.252 -14.157 146 HD2 LYS 20 HD2 LYS 20 21.910 -6.293 -14.069 147 HD3 LYS 20 HD3 LYS 20 21.759 -5.646 -15.704 148 HE2 LYS 20 HE2 LYS 20 21.265 -7.945 -15.877 149 HE3 LYS 20 HE3 LYS 20 22.905 -7.762 -16.497 150 HZ1 LYS 20 HZ1 LYS 20 22.859 -9.646 -15.073 151 HZ2 LYS 20 HZ2 LYS 20 22.101 -8.784 -13.831 152 HZ3 LYS 20 HZ3 LYS 20 23.700 -8.427 -14.254 153 H GLY 21 H GLY 21 21.062 -1.674 -13.806 154 HA2 GLY 21 HA2 GLY 21 23.001 -0.298 -12.067 155 HA3 GLY 21 HA3 GLY 21 22.318 0.541 -13.452 156 H SER 22 H SER 22 21.867 1.899 -11.343 157 HA SER 22 HA SER 22 19.396 1.043 -10.045 158 HB2 SER 22 HB2 SER 22 19.828 3.336 -8.823 159 HB3 SER 22 HB3 SER 22 20.787 1.914 -8.410 160 HG SER 22 HG SER 22 22.274 3.458 -8.754 161 H TYR 23 H TYR 23 19.474 1.831 -12.876 162 HA TYR 23 HA TYR 23 18.478 4.411 -13.294 163 HB2 TYR 23 HB2 TYR 23 19.281 2.693 -15.023 164 HB3 TYR 23 HB3 TYR 23 17.656 2.022 -14.937 165 HD1 TYR 23 HD1 TYR 23 16.854 5.205 -14.370 166 HD2 TYR 23 HD2 TYR 23 18.582 2.902 -17.502 167 HE1 TYR 23 HE1 TYR 23 16.080 6.866 -16.010 168 HE2 TYR 23 HE2 TYR 23 17.815 4.557 -19.151 169 HH TYR 23 HH TYR 23 17.204 6.999 -19.161 170 H CYS 24 H CYS 24 16.559 1.405 -13.402 171 HA CYS 24 HA CYS 24 14.068 2.675 -13.224 172 HB2 CYS 24 HB2 CYS 24 14.337 0.368 -14.016 173 HB3 CYS 24 HB3 CYS 24 14.825 -0.137 -12.402 174 H ASN 25 H ASN 25 16.229 1.427 -10.735 175 HA ASN 25 HA ASN 25 14.550 1.540 -8.530 176 HB2 ASN 25 HB2 ASN 25 17.052 0.764 -8.793 177 HB3 ASN 25 HB3 ASN 25 17.403 2.406 -8.263 178 HD21 ASN 25 HD21 ASN 25 16.601 3.086 -6.207 179 HD22 ASN 25 HD22 ASN 25 16.314 1.924 -4.961 180 H ASP 26 H ASP 26 16.814 4.071 -9.625 181 HA ASP 26 HA ASP 26 16.033 6.036 -7.807 182 HB2 ASP 26 HB2 ASP 26 17.344 6.099 -10.499 183 HB3 ASP 26 HB3 ASP 26 16.851 7.611 -9.741 184 H LEU 27 H LEU 27 14.934 5.533 -11.157 185 HA LEU 27 HA LEU 27 13.101 7.626 -11.269 186 HB2 LEU 27 HB2 LEU 27 13.430 6.729 -13.330 187 HB3 LEU 27 HB3 LEU 27 13.500 5.077 -12.719 188 HG LEU 27 HG LEU 27 11.065 5.026 -12.554 189 HD11 LEU 27 HD11 LEU 27 10.698 7.513 -14.080 190 HD12 LEU 27 HD12 LEU 27 11.163 7.718 -12.392 191 HD13 LEU 27 HD13 LEU 27 9.711 6.805 -12.801 192 HD21 LEU 27 HD21 LEU 27 10.839 4.445 -14.709 193 HD22 LEU 27 HD22 LEU 27 12.555 4.834 -14.819 194 HD23 LEU 27 HD23 LEU 27 11.348 6.028 -15.296 195 H CYS 28 H CYS 28 12.737 4.335 -10.055 196 HA CYS 28 HA CYS 28 9.952 4.367 -9.681 197 HB2 CYS 28 HB2 CYS 28 12.203 2.791 -8.477 198 HB3 CYS 28 HB3 CYS 28 10.571 2.621 -7.839 199 H THR 29 H THR 29 12.591 5.067 -7.398 200 HA THR 29 HA THR 29 10.951 5.727 -5.212 201 HB THR 29 HB THR 29 12.860 6.347 -4.101 202 HG1 THR 29 HG1 THR 29 14.697 7.128 -5.739 203 HG21 THR 29 HG21 THR 29 14.592 5.170 -6.142 204 HG22 THR 29 HG22 THR 29 13.151 4.213 -5.800 205 HG23 THR 29 HG23 THR 29 14.259 4.636 -4.495 206 H GLU 30 H GLU 30 11.863 7.507 -8.036 207 HA GLU 30 HA GLU 30 11.539 10.132 -7.135 208 HB2 GLU 30 HB2 GLU 30 12.455 9.401 -9.366 209 HB3 GLU 30 HB3 GLU 30 10.798 9.112 -9.879 210 HG2 GLU 30 HG2 GLU 30 11.184 11.212 -10.709 211 HG3 GLU 30 HG3 GLU 30 10.421 11.577 -9.162 212 H ASN 31 H ASN 31 9.222 7.654 -7.718 213 HA ASN 31 HA ASN 31 7.015 9.590 -7.635 214 HB2 ASN 31 HB2 ASN 31 7.029 6.653 -8.366 215 HB3 ASN 31 HB3 ASN 31 5.593 7.673 -8.334 216 HD21 ASN 31 HD21 ASN 31 8.888 7.791 -9.656 217 HD22 ASN 31 HD22 ASN 31 8.420 8.356 -11.220 218 H GLY 32 H GLY 32 8.731 8.624 -5.347 219 HA2 GLY 32 HA2 GLY 32 8.212 8.471 -3.081 220 HA3 GLY 32 HA3 GLY 32 6.532 8.184 -3.511 221 H ALA 33 H ALA 33 8.864 6.253 -5.120 222 HA ALA 33 HA ALA 33 7.854 3.888 -3.785 223 HB1 ALA 33 HB1 ALA 33 8.690 2.666 -5.550 224 HB2 ALA 33 HB2 ALA 33 8.347 4.215 -6.322 225 HB3 ALA 33 HB3 ALA 33 10.000 3.807 -5.859 226 H GLU 34 H GLU 34 9.179 2.302 -2.786 227 HA GLU 34 HA GLU 34 11.292 3.435 -1.198 228 HB2 GLU 34 HB2 GLU 34 9.486 1.585 -0.615 229 HB3 GLU 34 HB3 GLU 34 10.734 0.504 -1.218 230 HG2 GLU 34 HG2 GLU 34 12.279 1.807 0.412 231 HG3 GLU 34 HG3 GLU 34 10.763 2.275 1.181 232 H SER 35 H SER 35 11.038 1.279 -3.944 233 HA SER 35 HA SER 35 13.809 1.639 -4.577 234 HB2 SER 35 HB2 SER 35 13.007 -1.223 -4.106 235 HB3 SER 35 HB3 SER 35 14.625 -0.544 -4.280 236 HG SER 35 HG SER 35 13.524 -1.087 -2.055 237 H GLY 36 H GLY 36 14.323 -0.142 -6.440 238 HA2 GLY 36 HA2 GLY 36 12.155 -0.942 -8.078 239 HA3 GLY 36 HA3 GLY 36 12.781 0.602 -8.635 240 H TYR 37 H TYR 37 12.807 -1.814 -10.127 241 HA TYR 37 HA TYR 37 15.610 -1.894 -10.796 242 HB2 TYR 37 HB2 TYR 37 16.087 -4.114 -10.317 243 HB3 TYR 37 HB3 TYR 37 15.115 -3.649 -8.926 244 HD1 TYR 37 HD1 TYR 37 15.163 -5.584 -12.048 245 HD2 TYR 37 HD2 TYR 37 12.917 -4.577 -8.578 246 HE1 TYR 37 HE1 TYR 37 13.617 -7.438 -12.519 247 HE2 TYR 37 HE2 TYR 37 11.365 -6.428 -9.038 248 HH TYR 37 HH TYR 37 11.624 -8.355 -11.982 249 H CYS 38 H CYS 38 16.018 -3.089 -12.791 250 HA CYS 38 HA CYS 38 13.914 -2.673 -14.686 251 HB2 CYS 38 HB2 CYS 38 16.369 -2.324 -15.140 252 HB3 CYS 38 HB3 CYS 38 16.550 -4.075 -15.148 253 H GLN 39 H GLN 39 12.340 -4.050 -15.142 254 HA GLN 39 HA GLN 39 12.664 -6.873 -14.438 255 HB2 GLN 39 HB2 GLN 39 10.697 -5.901 -13.497 256 HB3 GLN 39 HB3 GLN 39 10.236 -5.186 -15.037 257 HG2 GLN 39 HG2 GLN 39 10.505 -8.067 -15.205 258 HG3 GLN 39 HG3 GLN 39 9.328 -7.570 -13.990 259 HE21 GLN 39 HE21 GLN 39 10.059 -5.702 -16.841 260 HE22 GLN 39 HE22 GLN 39 8.540 -5.942 -17.629 261 H ILE 40 H ILE 40 12.969 -8.379 -15.939 262 HA ILE 40 HA ILE 40 12.756 -7.615 -18.753 263 HB ILE 40 HB ILE 40 13.900 -10.191 -17.695 264 HG12 ILE 40 HG12 ILE 40 16.134 -8.984 -17.971 265 HG13 ILE 40 HG13 ILE 40 15.207 -7.488 -17.986 266 HG21 ILE 40 HG21 ILE 40 13.601 -10.376 -19.994 267 HG22 ILE 40 HG22 ILE 40 14.036 -8.693 -20.283 268 HG23 ILE 40 HG23 ILE 40 15.281 -9.861 -19.843 269 HD11 ILE 40 HD11 ILE 40 16.266 -8.476 -15.777 270 HD12 ILE 40 HD12 ILE 40 14.735 -7.601 -15.772 271 HD13 ILE 40 HD13 ILE 40 14.743 -9.364 -15.744 272 H LEU 41 H LEU 41 11.493 -9.938 -16.435 273 HA LEU 41 HA LEU 41 10.025 -11.448 -18.377 274 HB2 LEU 41 HB2 LEU 41 10.147 -11.362 -15.395 275 HB3 LEU 41 HB3 LEU 41 8.822 -12.213 -16.185 276 HG LEU 41 HG LEU 41 10.524 -13.795 -15.588 277 HD11 LEU 41 HD11 LEU 41 10.560 -14.938 -17.553 278 HD12 LEU 41 HD12 LEU 41 11.049 -13.530 -18.495 279 HD13 LEU 41 HD13 LEU 41 9.373 -13.703 -17.975 280 HD21 LEU 41 HD21 LEU 41 12.390 -11.973 -17.097 281 HD22 LEU 41 HD22 LEU 41 12.800 -13.618 -16.612 282 HD23 LEU 41 HD23 LEU 41 12.449 -12.398 -15.386 283 H GLY 42 H GLY 42 9.347 -8.972 -19.008 284 HA2 GLY 42 HA2 GLY 42 6.751 -8.439 -17.720 285 HA3 GLY 42 HA3 GLY 42 7.681 -7.270 -18.646 286 H LYS 43 H LYS 43 4.868 -8.470 -18.828 287 HA LYS 43 HA LYS 43 4.617 -10.008 -21.138 288 HB2 LYS 43 HB2 LYS 43 2.324 -8.640 -21.233 289 HB3 LYS 43 HB3 LYS 43 2.614 -9.916 -20.058 290 HG2 LYS 43 HG2 LYS 43 3.476 -7.235 -19.225 291 HG3 LYS 43 HG3 LYS 43 1.736 -7.440 -19.440 292 HD2 LYS 43 HD2 LYS 43 3.342 -9.431 -17.874 293 HD3 LYS 43 HD3 LYS 43 2.770 -7.938 -17.126 294 HE2 LYS 43 HE2 LYS 43 0.464 -8.601 -18.029 295 HE3 LYS 43 HE3 LYS 43 1.166 -10.198 -18.281 296 HZ1 LYS 43 HZ1 LYS 43 0.905 -10.652 -16.144 297 HZ2 LYS 43 HZ2 LYS 43 0.104 -9.177 -15.937 298 HZ3 LYS 43 HZ3 LYS 43 1.773 -9.275 -15.681 299 H TYR 44 H TYR 44 5.232 -6.614 -20.737 300 HA TYR 44 HA TYR 44 4.952 -6.207 -23.638 301 HB2 TYR 44 HB2 TYR 44 5.315 -3.907 -21.777 302 HB3 TYR 44 HB3 TYR 44 4.387 -4.008 -23.269 303 HD1 TYR 44 HD1 TYR 44 2.119 -4.933 -23.262 304 HD2 TYR 44 HD2 TYR 44 4.341 -4.522 -19.658 305 HE1 TYR 44 HE1 TYR 44 0.053 -5.233 -21.962 306 HE2 TYR 44 HE2 TYR 44 2.282 -4.822 -18.347 307 HH TYR 44 HH TYR 44 -0.774 -4.587 -19.647 308 H GLY 45 H GLY 45 7.238 -7.417 -22.110 309 HA2 GLY 45 HA2 GLY 45 9.493 -7.450 -22.803 310 HA3 GLY 45 HA3 GLY 45 9.317 -5.797 -23.374 311 H ASN 46 H ASN 46 10.961 -4.805 -22.331 312 HA ASN 46 HA ASN 46 11.466 -5.295 -19.528 313 HB2 ASN 46 HB2 ASN 46 12.753 -3.621 -21.657 314 HB3 ASN 46 HB3 ASN 46 13.129 -3.318 -19.964 315 HD21 ASN 46 HD21 ASN 46 13.410 -5.595 -18.777 316 HD22 ASN 46 HD22 ASN 46 14.582 -6.612 -19.537 317 H ALA 47 H ALA 47 10.324 -4.353 -17.982 318 HA ALA 47 HA ALA 47 9.383 -1.593 -18.408 319 HB1 ALA 47 HB1 ALA 47 7.558 -3.312 -18.521 320 HB2 ALA 47 HB2 ALA 47 7.886 -3.672 -16.826 321 HB3 ALA 47 HB3 ALA 47 7.335 -2.063 -17.295 322 H CYS 48 H CYS 48 9.587 -0.182 -16.714 323 HA CYS 48 HA CYS 48 11.570 -0.722 -14.777 324 HB2 CYS 48 HB2 CYS 48 10.981 1.541 -15.730 325 HB3 CYS 48 HB3 CYS 48 9.555 1.527 -14.697 326 H TRP 49 H TRP 49 11.350 -1.960 -13.046 327 HA TRP 49 HA TRP 49 8.710 -2.337 -11.855 328 HB2 TRP 49 HB2 TRP 49 10.174 -4.300 -12.399 329 HB3 TRP 49 HB3 TRP 49 11.300 -3.738 -11.167 330 HD1 TRP 49 HD1 TRP 49 10.717 -4.247 -8.658 331 HE1 TRP 49 HE1 TRP 49 8.888 -5.651 -7.515 332 HE3 TRP 49 HE3 TRP 49 7.645 -5.001 -12.674 333 HZ2 TRP 49 HZ2 TRP 49 6.464 -6.912 -8.222 334 HZ3 TRP 49 HZ3 TRP 49 5.591 -6.318 -12.356 335 HH2 TRP 49 HH2 TRP 49 5.015 -7.253 -10.176 336 H CYS 50 H CYS 50 8.137 -1.620 -9.877 337 HA CYS 50 HA CYS 50 10.191 -0.220 -8.293 338 HB2 CYS 50 HB2 CYS 50 7.276 0.553 -8.517 339 HB3 CYS 50 HB3 CYS 50 8.534 1.425 -7.647 340 H ILE 51 H ILE 51 10.175 -0.501 -6.095 341 HA ILE 51 HA ILE 51 8.335 -2.569 -5.088 342 HB ILE 51 HB ILE 51 11.096 -1.845 -4.102 343 HG12 ILE 51 HG12 ILE 51 10.861 -3.136 -6.294 344 HG13 ILE 51 HG13 ILE 51 11.849 -3.882 -5.042 345 HG21 ILE 51 HG21 ILE 51 9.088 -3.859 -3.116 346 HG22 ILE 51 HG22 ILE 51 10.797 -3.898 -2.685 347 HG23 ILE 51 HG23 ILE 51 9.803 -2.517 -2.224 348 HD11 ILE 51 HD11 ILE 51 10.512 -5.579 -6.009 349 HD12 ILE 51 HD12 ILE 51 9.846 -5.242 -4.411 350 HD13 ILE 51 HD13 ILE 51 9.049 -4.608 -5.850 351 H GLN 52 H GLN 52 7.079 -2.159 -3.360 352 HA GLN 52 HA GLN 52 6.052 -1.042 -1.665 353 HB2 GLN 52 HB2 GLN 52 8.869 -0.121 -1.443 354 HB3 GLN 52 HB3 GLN 52 7.651 0.804 -0.574 355 HG2 GLN 52 HG2 GLN 52 7.641 -2.150 -0.281 356 HG3 GLN 52 HG3 GLN 52 8.908 -1.230 0.530 357 HE21 GLN 52 HE21 GLN 52 5.451 -1.703 0.248 358 HE22 GLN 52 HE22 GLN 52 5.039 -1.023 1.782 359 H LEU 53 H LEU 53 5.502 -0.177 -4.210 360 HA LEU 53 HA LEU 53 5.682 2.714 -4.285 361 HB2 LEU 53 HB2 LEU 53 5.814 1.099 -6.282 362 HB3 LEU 53 HB3 LEU 53 4.059 1.014 -6.147 363 HG LEU 53 HG LEU 53 3.938 3.448 -6.525 364 HD11 LEU 53 HD11 LEU 53 6.600 3.441 -5.827 365 HD12 LEU 53 HD12 LEU 53 5.715 4.792 -6.535 366 HD13 LEU 53 HD13 LEU 53 6.639 3.703 -7.571 367 HD21 LEU 53 HD21 LEU 53 5.560 2.523 -8.810 368 HD22 LEU 53 HD22 LEU 53 3.930 3.196 -8.770 369 HD23 LEU 53 HD23 LEU 53 4.196 1.500 -8.359 370 HA PRO 54 HA PRO 54 1.863 3.381 -2.162 371 HB2 PRO 54 HB2 PRO 54 1.512 5.979 -2.865 372 HB3 PRO 54 HB3 PRO 54 2.695 5.462 -1.657 373 HG2 PRO 54 HG2 PRO 54 3.108 6.141 -4.544 374 HG3 PRO 54 HG3 PRO 54 4.092 6.587 -3.137 375 HD2 PRO 54 HD2 PRO 54 4.766 4.562 -4.804 376 HD3 PRO 54 HD3 PRO 54 5.150 4.540 -3.071 377 H ASP 55 H ASP 55 -0.302 3.376 -2.613 378 HA ASP 55 HA ASP 55 -1.151 2.671 -5.200 379 HB2 ASP 55 HB2 ASP 55 -2.506 3.313 -2.623 380 HB3 ASP 55 HB3 ASP 55 -3.484 3.310 -4.088 381 H ASN 56 H ASN 56 -0.308 5.662 -4.007 382 HA ASN 56 HA ASN 56 -2.253 7.271 -5.365 383 HB2 ASN 56 HB2 ASN 56 0.431 7.944 -4.145 384 HB3 ASN 56 HB3 ASN 56 -0.661 9.141 -4.835 385 HD21 ASN 56 HD21 ASN 56 -3.087 8.330 -3.976 386 HD22 ASN 56 HD22 ASN 56 -3.168 8.395 -2.252 387 H VAL 57 H VAL 57 0.750 5.772 -6.201 388 HA VAL 57 HA VAL 57 1.062 7.381 -8.613 389 HB VAL 57 HB VAL 57 2.754 5.024 -7.797 390 HG11 VAL 57 HG11 VAL 57 3.351 7.434 -9.511 391 HG12 VAL 57 HG12 VAL 57 4.445 6.089 -9.179 392 HG13 VAL 57 HG13 VAL 57 2.972 5.820 -10.111 393 HG21 VAL 57 HG21 VAL 57 2.442 7.111 -6.152 394 HG22 VAL 57 HG22 VAL 57 3.976 6.263 -6.342 395 HG23 VAL 57 HG23 VAL 57 3.688 7.769 -7.212 396 HA PRO 58 HA PRO 58 -1.176 4.524 -11.130 397 HB2 PRO 58 HB2 PRO 58 -0.269 5.372 -13.545 398 HB3 PRO 58 HB3 PRO 58 -1.450 6.277 -12.591 399 HG2 PRO 58 HG2 PRO 58 1.502 6.699 -12.845 400 HG3 PRO 58 HG3 PRO 58 0.197 7.899 -12.841 401 HD2 PRO 58 HD2 PRO 58 1.715 7.391 -10.657 402 HD3 PRO 58 HD3 PRO 58 0.011 7.874 -10.544 403 H ILE 59 H ILE 59 -0.848 2.660 -12.364 404 HA ILE 59 HA ILE 59 1.956 1.815 -12.687 405 HB ILE 59 HB ILE 59 1.122 -0.534 -12.251 406 HG12 ILE 59 HG12 ILE 59 -1.219 0.931 -11.015 407 HG13 ILE 59 HG13 ILE 59 -1.296 0.042 -12.533 408 HG21 ILE 59 HG21 ILE 59 2.416 0.864 -10.639 409 HG22 ILE 59 HG22 ILE 59 0.885 1.349 -9.913 410 HG23 ILE 59 HG23 ILE 59 1.378 -0.343 -9.881 411 HD11 ILE 59 HD11 ILE 59 -1.698 -0.930 -9.934 412 HD12 ILE 59 HD12 ILE 59 -1.671 -1.841 -11.444 413 HD13 ILE 59 HD13 ILE 59 -0.189 -1.638 -10.510 414 H ARG 60 H ARG 60 2.183 -0.036 -14.245 415 HA ARG 60 HA ARG 60 1.052 0.674 -16.735 416 HB2 ARG 60 HB2 ARG 60 3.225 -0.325 -16.703 417 HB3 ARG 60 HB3 ARG 60 2.629 -1.739 -15.845 418 HG2 ARG 60 HG2 ARG 60 3.108 -1.894 -18.379 419 HG3 ARG 60 HG3 ARG 60 1.644 -2.634 -17.728 420 HD2 ARG 60 HD2 ARG 60 0.267 -1.072 -18.676 421 HD3 ARG 60 HD3 ARG 60 1.500 0.188 -18.648 422 HE ARG 60 HE ARG 60 2.394 -1.690 -20.450 423 HH11 ARG 60 HH11 ARG 60 -0.415 0.338 -20.099 424 HH12 ARG 60 HH12 ARG 60 -0.690 0.475 -21.804 425 HH21 ARG 60 HH21 ARG 60 2.041 -1.517 -22.697 426 HH22 ARG 60 HH22 ARG 60 0.706 -0.582 -23.280 427 H ILE 61 H ILE 61 -0.947 0.285 -17.396 428 HA ILE 61 HA ILE 61 -2.274 -2.186 -16.488 429 HB ILE 61 HB ILE 61 -4.387 -0.740 -17.201 430 HG12 ILE 61 HG12 ILE 61 -2.339 1.310 -16.329 431 HG13 ILE 61 HG13 ILE 61 -3.122 1.219 -17.903 432 HG21 ILE 61 HG21 ILE 61 -4.844 -1.052 -15.051 433 HG22 ILE 61 HG22 ILE 61 -3.158 -1.502 -14.796 434 HG23 ILE 61 HG23 ILE 61 -3.666 0.173 -14.582 435 HD11 ILE 61 HD11 ILE 61 -5.196 1.337 -16.036 436 HD12 ILE 61 HD12 ILE 61 -3.997 2.517 -15.506 437 HD13 ILE 61 HD13 ILE 61 -4.660 2.606 -17.138 438 HA PRO 62 HA PRO 62 -2.846 -3.473 -20.644 439 HB2 PRO 62 HB2 PRO 62 -5.339 -4.546 -20.582 440 HB3 PRO 62 HB3 PRO 62 -3.942 -5.317 -19.821 441 HG2 PRO 62 HG2 PRO 62 -6.093 -3.646 -18.579 442 HG3 PRO 62 HG3 PRO 62 -5.361 -5.149 -17.987 443 HD2 PRO 62 HD2 PRO 62 -4.651 -2.712 -17.044 444 HD3 PRO 62 HD3 PRO 62 -3.506 -4.064 -17.154 445 H GLY 63 H GLY 63 -2.995 -0.911 -20.917 446 HA2 GLY 63 HA2 GLY 63 -5.459 -0.454 -22.466 447 HA3 GLY 63 HA3 GLY 63 -4.895 0.767 -21.336 448 H LYS 64 H LYS 64 -5.140 1.820 -23.640 449 HA LYS 64 HA LYS 64 -2.815 1.435 -25.326 450 HB2 LYS 64 HB2 LYS 64 -5.188 1.976 -26.134 451 HB3 LYS 64 HB3 LYS 64 -4.871 3.621 -25.599 452 HG2 LYS 64 HG2 LYS 64 -4.417 3.548 -27.917 453 HG3 LYS 64 HG3 LYS 64 -2.857 3.615 -27.095 454 HD2 LYS 64 HD2 LYS 64 -2.952 1.982 -28.979 455 HD3 LYS 64 HD3 LYS 64 -2.508 1.269 -27.427 456 HE2 LYS 64 HE2 LYS 64 -4.189 -0.016 -28.822 457 HE3 LYS 64 HE3 LYS 64 -4.638 0.302 -27.147 458 HZ1 LYS 64 HZ1 LYS 64 -6.173 1.899 -27.776 459 HZ2 LYS 64 HZ2 LYS 64 -6.365 0.716 -28.969 460 HZ3 LYS 64 HZ3 LYS 64 -5.488 2.123 -29.307 461 H CYS 65 H CYS 65 -1.104 2.811 -25.550 462 HA CYS 65 HA CYS 65 -0.759 4.776 -23.416 463 HB2 CYS 65 HB2 CYS 65 1.126 3.424 -23.482 464 HB3 CYS 65 HB3 CYS 65 1.098 3.294 -25.238 465 H HIS 66 H HIS 66 0.267 6.856 -23.925 466 HA HIS 66 HA HIS 66 -1.106 8.554 -25.433 467 HB2 HIS 66 HB2 HIS 66 0.790 10.016 -25.551 468 HB3 HIS 66 HB3 HIS 66 0.912 9.117 -24.041 469 HD1 HIS 66 HD1 HIS 66 2.206 8.636 -27.598 470 HD2 HIS 66 HD2 HIS 66 3.429 8.248 -23.646 471 HE1 HIS 66 HE1 HIS 66 4.598 7.869 -27.707 Start of MODEL 2 1 H ALA 1 H ALA 1 2.361 -0.553 1.025 2 HA ALA 1 HA ALA 1 1.342 0.485 -1.528 3 HB1 ALA 1 HB1 ALA 1 3.295 1.520 -1.683 4 HB2 ALA 1 HB2 ALA 1 3.823 0.787 -0.168 5 HB3 ALA 1 HB3 ALA 1 4.115 -0.041 -1.697 6 H ARG 2 H ARG 2 2.659 -0.655 -3.435 7 HA ARG 2 HA ARG 2 2.817 -3.536 -3.042 8 HB2 ARG 2 HB2 ARG 2 1.366 -3.803 -5.161 9 HB3 ARG 2 HB3 ARG 2 0.559 -3.496 -3.628 10 HG2 ARG 2 HG2 ARG 2 0.219 -1.197 -4.192 11 HG3 ARG 2 HG3 ARG 2 1.208 -1.359 -5.644 12 HD2 ARG 2 HD2 ARG 2 -0.460 -3.102 -6.416 13 HD3 ARG 2 HD3 ARG 2 -1.489 -2.570 -5.086 14 HE ARG 2 HE ARG 2 -0.667 -0.369 -6.675 15 HH11 ARG 2 HH11 ARG 2 -2.851 -3.080 -6.632 16 HH12 ARG 2 HH12 ARG 2 -4.010 -2.329 -7.678 17 HH21 ARG 2 HH21 ARG 2 -2.186 0.630 -8.051 18 HH22 ARG 2 HH22 ARG 2 -3.631 -0.219 -8.485 19 H ASP 3 H ASP 3 3.705 -4.653 -4.945 20 HA ASP 3 HA ASP 3 5.667 -2.944 -6.282 21 HB2 ASP 3 HB2 ASP 3 5.506 -5.946 -5.959 22 HB3 ASP 3 HB3 ASP 3 6.764 -5.118 -6.873 23 H ALA 4 H ALA 4 5.695 -2.596 -8.428 24 HA ALA 4 HA ALA 4 4.559 -4.287 -10.373 25 HB1 ALA 4 HB1 ALA 4 2.672 -2.640 -9.047 26 HB2 ALA 4 HB2 ALA 4 2.866 -2.028 -10.690 27 HB3 ALA 4 HB3 ALA 4 2.418 -3.713 -10.424 28 H TYR 5 H TYR 5 4.121 -2.841 -12.489 29 HA TYR 5 HA TYR 5 6.629 -1.463 -12.926 30 HB2 TYR 5 HB2 TYR 5 4.413 -1.851 -14.934 31 HB3 TYR 5 HB3 TYR 5 6.124 -1.582 -15.248 32 HD1 TYR 5 HD1 TYR 5 3.588 -4.042 -14.302 33 HD2 TYR 5 HD2 TYR 5 7.733 -3.396 -15.013 34 HE1 TYR 5 HE1 TYR 5 3.942 -6.473 -14.410 35 HE2 TYR 5 HE2 TYR 5 8.098 -5.826 -15.124 36 HH TYR 5 HH TYR 5 7.150 -7.834 -15.097 37 H ILE 6 H ILE 6 6.917 0.678 -13.215 38 HA ILE 6 HA ILE 6 4.826 2.458 -12.400 39 HB ILE 6 HB ILE 6 7.042 3.027 -11.730 40 HG12 ILE 6 HG12 ILE 6 6.554 4.985 -13.953 41 HG13 ILE 6 HG13 ILE 6 5.398 4.840 -12.633 42 HG21 ILE 6 HG21 ILE 6 8.553 2.067 -13.149 43 HG22 ILE 6 HG22 ILE 6 7.681 2.569 -14.596 44 HG23 ILE 6 HG23 ILE 6 8.646 3.740 -13.699 45 HD11 ILE 6 HD11 ILE 6 7.573 6.481 -12.666 46 HD12 ILE 6 HD12 ILE 6 6.712 5.952 -11.220 47 HD13 ILE 6 HD13 ILE 6 8.163 5.098 -11.745 48 H ALA 7 H ALA 7 3.587 3.801 -13.602 49 HA ALA 7 HA ALA 7 3.570 3.357 -16.482 50 HB1 ALA 7 HB1 ALA 7 1.618 4.353 -14.487 51 HB2 ALA 7 HB2 ALA 7 1.472 4.955 -16.139 52 HB3 ALA 7 HB3 ALA 7 1.401 3.222 -15.822 53 H LYS 8 H LYS 8 3.359 5.162 -17.971 54 HA LYS 8 HA LYS 8 4.513 7.681 -16.995 55 HB2 LYS 8 HB2 LYS 8 6.361 7.521 -18.250 56 HB3 LYS 8 HB3 LYS 8 5.958 5.822 -18.458 57 HG2 LYS 8 HG2 LYS 8 4.535 6.632 -20.447 58 HG3 LYS 8 HG3 LYS 8 5.488 8.112 -20.323 59 HD2 LYS 8 HD2 LYS 8 7.541 6.611 -20.402 60 HD3 LYS 8 HD3 LYS 8 6.445 5.317 -20.892 61 HE2 LYS 8 HE2 LYS 8 6.379 6.075 -22.983 62 HE3 LYS 8 HE3 LYS 8 5.974 7.702 -22.440 63 HZ1 LYS 8 HZ1 LYS 8 8.012 7.812 -23.623 64 HZ2 LYS 8 HZ2 LYS 8 8.683 6.534 -22.741 65 HZ3 LYS 8 HZ3 LYS 8 8.385 8.018 -21.986 66 HA PRO 9 HA PRO 9 1.594 9.773 -19.516 67 HB2 PRO 9 HB2 PRO 9 3.036 11.774 -20.649 68 HB3 PRO 9 HB3 PRO 9 2.606 11.752 -18.935 69 HG2 PRO 9 HG2 PRO 9 5.179 10.975 -20.252 70 HG3 PRO 9 HG3 PRO 9 4.920 11.913 -18.770 71 HD2 PRO 9 HD2 PRO 9 5.588 9.289 -18.735 72 HD3 PRO 9 HD3 PRO 9 4.561 10.029 -17.490 73 H HIS 10 H HIS 10 1.590 8.418 -22.714 74 HA HIS 10 HA HIS 10 0.762 8.611 -19.900 75 HB2 HIS 10 HB2 HIS 10 -0.671 9.563 -22.324 76 HB3 HIS 10 HB3 HIS 10 -1.638 8.778 -21.078 77 HD1 HIS 10 HD1 HIS 10 -2.088 10.079 -18.947 78 HD2 HIS 10 HD2 HIS 10 0.557 12.002 -21.510 79 HE1 HIS 10 HE1 HIS 10 -1.812 12.398 -18.013 80 H ASN 11 H ASN 11 0.235 6.705 -19.064 81 HA ASN 11 HA ASN 11 -0.398 4.529 -18.858 82 HB2 ASN 11 HB2 ASN 11 -2.319 5.536 -20.382 83 HB3 ASN 11 HB3 ASN 11 -1.599 4.479 -21.592 84 HD21 ASN 11 HD21 ASN 11 -1.656 2.248 -21.287 85 HD22 ASN 11 HD22 ASN 11 -2.742 1.509 -20.164 86 H CYS 12 H CYS 12 2.171 4.999 -19.714 87 HA CYS 12 HA CYS 12 2.632 2.703 -21.497 88 HB2 CYS 12 HB2 CYS 12 4.593 4.949 -21.486 89 HB3 CYS 12 HB3 CYS 12 4.182 3.824 -22.777 90 H VAL 13 H VAL 13 4.636 1.578 -21.158 91 HA VAL 13 HA VAL 13 5.377 1.520 -18.354 92 HB VAL 13 HB VAL 13 6.387 -0.557 -18.757 93 HG11 VAL 13 HG11 VAL 13 4.249 -1.239 -18.916 94 HG12 VAL 13 HG12 VAL 13 3.851 -0.047 -20.154 95 HG13 VAL 13 HG13 VAL 13 4.669 -1.545 -20.601 96 HG21 VAL 13 HG21 VAL 13 7.789 0.135 -20.641 97 HG22 VAL 13 HG22 VAL 13 6.983 -1.399 -20.969 98 HG23 VAL 13 HG23 VAL 13 6.384 0.087 -21.705 99 H TYR 14 H TYR 14 7.555 1.599 -17.608 100 HA TYR 14 HA TYR 14 9.193 3.457 -19.158 101 HB2 TYR 14 HB2 TYR 14 8.942 2.755 -16.280 102 HB3 TYR 14 HB3 TYR 14 10.528 3.271 -16.842 103 HD1 TYR 14 HD1 TYR 14 10.591 5.495 -18.198 104 HD2 TYR 14 HD2 TYR 14 7.373 4.351 -15.661 105 HE1 TYR 14 HE1 TYR 14 9.887 7.847 -18.040 106 HE2 TYR 14 HE2 TYR 14 6.660 6.699 -15.497 107 HH TYR 14 HH TYR 14 8.091 9.196 -17.466 108 H GLU 15 H GLU 15 10.366 2.339 -20.622 109 HA GLU 15 HA GLU 15 11.449 -0.233 -20.221 110 HB2 GLU 15 HB2 GLU 15 11.043 1.104 -22.418 111 HB3 GLU 15 HB3 GLU 15 12.654 1.747 -22.126 112 HG2 GLU 15 HG2 GLU 15 12.204 -1.202 -22.103 113 HG3 GLU 15 HG3 GLU 15 12.338 -0.339 -23.634 114 H CYS 16 H CYS 16 13.381 -0.934 -19.472 115 HA CYS 16 HA CYS 16 14.970 0.950 -17.952 116 HB2 CYS 16 HB2 CYS 16 15.945 -0.913 -16.906 117 HB3 CYS 16 HB3 CYS 16 14.282 -1.411 -17.201 118 H TYR 17 H TYR 17 16.794 1.866 -18.620 119 HA TYR 17 HA TYR 17 17.994 0.922 -21.124 120 HB2 TYR 17 HB2 TYR 17 17.263 3.430 -20.433 121 HB3 TYR 17 HB3 TYR 17 18.939 3.446 -19.898 122 HD1 TYR 17 HD1 TYR 17 17.820 5.185 -22.081 123 HD2 TYR 17 HD2 TYR 17 19.642 1.342 -22.211 124 HE1 TYR 17 HE1 TYR 17 18.547 5.614 -24.391 125 HE2 TYR 17 HE2 TYR 17 20.375 1.761 -24.521 126 HH TYR 17 HH TYR 17 20.711 4.484 -25.879 127 H ASN 18 H ASN 18 18.592 1.236 -17.736 128 HA ASN 18 HA ASN 18 21.255 0.063 -18.128 129 HB2 ASN 18 HB2 ASN 18 21.131 2.625 -17.478 130 HB3 ASN 18 HB3 ASN 18 20.847 1.974 -15.866 131 HD21 ASN 18 HD21 ASN 18 22.492 -0.418 -16.571 132 HD22 ASN 18 HD22 ASN 18 24.128 0.119 -16.430 133 HA PRO 19 HA PRO 19 18.798 -2.558 -15.267 134 HB2 PRO 19 HB2 PRO 19 19.871 -4.889 -16.152 135 HB3 PRO 19 HB3 PRO 19 18.502 -4.100 -16.944 136 HG2 PRO 19 HG2 PRO 19 21.403 -4.050 -17.680 137 HG3 PRO 19 HG3 PRO 19 19.986 -4.229 -18.731 138 HD2 PRO 19 HD2 PRO 19 21.298 -1.878 -18.443 139 HD3 PRO 19 HD3 PRO 19 19.550 -1.966 -18.739 140 H LYS 20 H LYS 20 22.210 -2.328 -15.981 141 HA LYS 20 HA LYS 20 22.927 -3.695 -13.502 142 HB2 LYS 20 HB2 LYS 20 24.371 -2.896 -15.974 143 HB3 LYS 20 HB3 LYS 20 25.304 -2.953 -14.485 144 HG2 LYS 20 HG2 LYS 20 23.588 -5.286 -15.114 145 HG3 LYS 20 HG3 LYS 20 25.047 -5.051 -16.080 146 HD2 LYS 20 HD2 LYS 20 25.568 -6.477 -14.211 147 HD3 LYS 20 HD3 LYS 20 26.356 -4.915 -13.975 148 HE2 LYS 20 HE2 LYS 20 25.349 -5.703 -11.902 149 HE3 LYS 20 HE3 LYS 20 24.554 -4.235 -12.467 150 HZ1 LYS 20 HZ1 LYS 20 22.642 -5.317 -12.394 151 HZ2 LYS 20 HZ2 LYS 20 23.415 -6.749 -11.934 152 HZ3 LYS 20 HZ3 LYS 20 23.195 -6.396 -13.574 153 H GLY 21 H GLY 21 21.595 -1.010 -13.642 154 HA2 GLY 21 HA2 GLY 21 23.489 0.348 -11.859 155 HA3 GLY 21 HA3 GLY 21 22.835 1.246 -13.221 156 H SER 22 H SER 22 22.240 2.558 -11.180 157 HA SER 22 HA SER 22 19.793 1.577 -9.918 158 HB2 SER 22 HB2 SER 22 21.579 3.947 -9.353 159 HB3 SER 22 HB3 SER 22 20.038 3.694 -8.534 160 HG SER 22 HG SER 22 22.107 1.758 -8.591 161 H TYR 23 H TYR 23 19.875 2.375 -12.741 162 HA TYR 23 HA TYR 23 18.725 4.922 -13.109 163 HB2 TYR 23 HB2 TYR 23 19.776 3.534 -14.906 164 HB3 TYR 23 HB3 TYR 23 18.363 2.485 -14.863 165 HD1 TYR 23 HD1 TYR 23 19.092 6.149 -15.117 166 HD2 TYR 23 HD2 TYR 23 16.781 2.852 -16.492 167 HE1 TYR 23 HE1 TYR 23 17.958 7.623 -16.726 168 HE2 TYR 23 HE2 TYR 23 15.641 4.317 -18.105 169 HH TYR 23 HH TYR 23 15.191 7.034 -18.125 170 H CYS 24 H CYS 24 17.052 1.822 -13.629 171 HA CYS 24 HA CYS 24 14.471 2.836 -13.500 172 HB2 CYS 24 HB2 CYS 24 14.933 0.617 -14.377 173 HB3 CYS 24 HB3 CYS 24 15.469 0.070 -12.791 174 H ASN 25 H ASN 25 16.546 1.617 -10.917 175 HA ASN 25 HA ASN 25 14.687 1.549 -8.845 176 HB2 ASN 25 HB2 ASN 25 17.235 0.860 -8.964 177 HB3 ASN 25 HB3 ASN 25 17.477 2.469 -8.291 178 HD21 ASN 25 HD21 ASN 25 16.410 2.973 -6.283 179 HD22 ASN 25 HD22 ASN 25 16.092 1.711 -5.147 180 H ASP 26 H ASP 26 16.937 4.188 -9.677 181 HA ASP 26 HA ASP 26 16.055 6.047 -7.817 182 HB2 ASP 26 HB2 ASP 26 17.417 6.234 -10.466 183 HB3 ASP 26 HB3 ASP 26 16.792 7.714 -9.744 184 H LEU 27 H LEU 27 15.013 5.704 -11.208 185 HA LEU 27 HA LEU 27 13.056 7.704 -11.154 186 HB2 LEU 27 HB2 LEU 27 13.486 7.086 -13.292 187 HB3 LEU 27 HB3 LEU 27 13.690 5.386 -12.874 188 HG LEU 27 HG LEU 27 11.252 5.129 -12.767 189 HD11 LEU 27 HD11 LEU 27 9.759 6.816 -12.991 190 HD12 LEU 27 HD12 LEU 27 10.800 7.747 -14.067 191 HD13 LEU 27 HD13 LEU 27 11.095 7.757 -12.329 192 HD21 LEU 27 HD21 LEU 27 11.679 6.414 -15.403 193 HD22 LEU 27 HD22 LEU 27 11.031 4.822 -15.007 194 HD23 LEU 27 HD23 LEU 27 12.772 5.105 -14.952 195 H CYS 28 H CYS 28 12.928 4.304 -10.265 196 HA CYS 28 HA CYS 28 10.128 4.089 -10.009 197 HB2 CYS 28 HB2 CYS 28 12.486 2.517 -9.149 198 HB3 CYS 28 HB3 CYS 28 11.009 2.261 -8.225 199 H THR 29 H THR 29 12.586 4.393 -7.439 200 HA THR 29 HA THR 29 10.748 4.886 -5.370 201 HB THR 29 HB THR 29 12.550 5.184 -3.980 202 HG1 THR 29 HG1 THR 29 13.977 6.357 -6.155 203 HG21 THR 29 HG21 THR 29 12.890 3.284 -5.939 204 HG22 THR 29 HG22 THR 29 13.844 3.415 -4.461 205 HG23 THR 29 HG23 THR 29 14.431 4.142 -5.957 206 H GLU 30 H GLU 30 12.176 6.967 -7.756 207 HA GLU 30 HA GLU 30 11.946 9.456 -6.553 208 HB2 GLU 30 HB2 GLU 30 13.028 9.084 -8.729 209 HB3 GLU 30 HB3 GLU 30 11.460 8.755 -9.453 210 HG2 GLU 30 HG2 GLU 30 12.438 11.061 -9.816 211 HG3 GLU 30 HG3 GLU 30 10.770 10.978 -9.254 212 H ASN 31 H ASN 31 9.486 7.289 -7.537 213 HA ASN 31 HA ASN 31 7.446 9.397 -7.463 214 HB2 ASN 31 HB2 ASN 31 7.290 6.515 -8.372 215 HB3 ASN 31 HB3 ASN 31 5.923 7.626 -8.346 216 HD21 ASN 31 HD21 ASN 31 9.294 7.654 -9.466 217 HD22 ASN 31 HD22 ASN 31 8.948 8.328 -11.019 218 H GLY 32 H GLY 32 8.917 8.153 -5.131 219 HA2 GLY 32 HA2 GLY 32 8.094 8.081 -2.911 220 HA3 GLY 32 HA3 GLY 32 6.512 7.642 -3.538 221 H ALA 33 H ALA 33 8.241 5.688 -5.301 222 HA ALA 33 HA ALA 33 7.655 3.368 -3.827 223 HB1 ALA 33 HB1 ALA 33 9.771 2.945 -5.748 224 HB2 ALA 33 HB2 ALA 33 8.108 2.356 -5.755 225 HB3 ALA 33 HB3 ALA 33 8.483 3.947 -6.417 226 H GLU 34 H GLU 34 9.106 1.793 -2.931 227 HA GLU 34 HA GLU 34 11.182 3.014 -1.346 228 HB2 GLU 34 HB2 GLU 34 9.482 1.122 -0.697 229 HB3 GLU 34 HB3 GLU 34 10.690 0.062 -1.410 230 HG2 GLU 34 HG2 GLU 34 12.301 1.438 0.172 231 HG3 GLU 34 HG3 GLU 34 10.805 1.674 1.073 232 H SER 35 H SER 35 10.967 0.923 -4.135 233 HA SER 35 HA SER 35 13.719 1.382 -4.785 234 HB2 SER 35 HB2 SER 35 12.837 -1.364 -3.889 235 HB3 SER 35 HB3 SER 35 14.268 -1.099 -4.885 236 HG SER 35 HG SER 35 13.771 -0.099 -2.278 237 H GLY 36 H GLY 36 14.297 -0.163 -6.754 238 HA2 GLY 36 HA2 GLY 36 12.181 -1.097 -8.386 239 HA3 GLY 36 HA3 GLY 36 12.615 0.539 -8.860 240 H TYR 37 H TYR 37 12.859 -1.771 -10.498 241 HA TYR 37 HA TYR 37 15.563 -1.444 -11.355 242 HB2 TYR 37 HB2 TYR 37 16.096 -3.927 -11.186 243 HB3 TYR 37 HB3 TYR 37 16.147 -3.015 -9.681 244 HD1 TYR 37 HD1 TYR 37 13.453 -4.716 -11.649 245 HD2 TYR 37 HD2 TYR 37 15.383 -4.235 -7.888 246 HE1 TYR 37 HE1 TYR 37 11.869 -6.304 -10.640 247 HE2 TYR 37 HE2 TYR 37 13.805 -5.823 -6.869 248 HH TYR 37 HH TYR 37 12.343 -7.777 -7.734 249 H CYS 38 H CYS 38 16.033 -3.081 -13.201 250 HA CYS 38 HA CYS 38 13.880 -2.845 -15.072 251 HB2 CYS 38 HB2 CYS 38 16.183 -2.566 -15.811 252 HB3 CYS 38 HB3 CYS 38 16.572 -4.206 -15.302 253 H GLN 39 H GLN 39 12.264 -4.224 -15.329 254 HA GLN 39 HA GLN 39 12.583 -6.975 -14.352 255 HB2 GLN 39 HB2 GLN 39 10.753 -5.665 -13.349 256 HB3 GLN 39 HB3 GLN 39 10.056 -5.424 -14.946 257 HG2 GLN 39 HG2 GLN 39 9.178 -7.493 -15.026 258 HG3 GLN 39 HG3 GLN 39 10.537 -8.222 -14.171 259 HE21 GLN 39 HE21 GLN 39 10.664 -7.230 -11.810 260 HE22 GLN 39 HE22 GLN 39 9.182 -7.350 -10.930 261 H ILE 40 H ILE 40 12.711 -8.593 -15.756 262 HA ILE 40 HA ILE 40 12.185 -8.050 -18.580 263 HB ILE 40 HB ILE 40 13.393 -10.569 -17.462 264 HG12 ILE 40 HG12 ILE 40 15.606 -9.429 -18.074 265 HG13 ILE 40 HG13 ILE 40 14.702 -7.919 -18.055 266 HG21 ILE 40 HG21 ILE 40 13.056 -11.048 -19.648 267 HG22 ILE 40 HG22 ILE 40 13.043 -9.352 -20.131 268 HG23 ILE 40 HG23 ILE 40 14.575 -10.172 -19.830 269 HD11 ILE 40 HD11 ILE 40 14.485 -9.678 -15.683 270 HD12 ILE 40 HD12 ILE 40 16.000 -8.811 -15.938 271 HD13 ILE 40 HD13 ILE 40 14.486 -7.919 -15.798 272 H LEU 41 H LEU 41 10.940 -9.850 -15.899 273 HA LEU 41 HA LEU 41 9.345 -11.636 -17.505 274 HB2 LEU 41 HB2 LEU 41 10.303 -11.849 -15.029 275 HB3 LEU 41 HB3 LEU 41 8.723 -11.171 -14.642 276 HG LEU 41 HG LEU 41 8.898 -13.578 -16.404 277 HD11 LEU 41 HD11 LEU 41 8.549 -14.823 -14.128 278 HD12 LEU 41 HD12 LEU 41 9.456 -13.457 -13.480 279 HD13 LEU 41 HD13 LEU 41 10.172 -14.480 -14.725 280 HD21 LEU 41 HD21 LEU 41 6.887 -12.187 -14.737 281 HD22 LEU 41 HD22 LEU 41 6.791 -13.947 -14.805 282 HD23 LEU 41 HD23 LEU 41 6.709 -13.001 -16.292 283 H GLY 42 H GLY 42 8.882 -8.972 -18.207 284 HA2 GLY 42 HA2 GLY 42 6.309 -8.282 -16.982 285 HA3 GLY 42 HA3 GLY 42 7.259 -7.248 -18.039 286 H LYS 43 H LYS 43 4.397 -8.474 -17.978 287 HA LYS 43 HA LYS 43 4.020 -10.150 -20.152 288 HB2 LYS 43 HB2 LYS 43 1.764 -8.703 -20.279 289 HB3 LYS 43 HB3 LYS 43 2.051 -9.918 -19.040 290 HG2 LYS 43 HG2 LYS 43 3.007 -7.196 -18.431 291 HG3 LYS 43 HG3 LYS 43 1.257 -7.414 -18.513 292 HD2 LYS 43 HD2 LYS 43 2.961 -9.309 -16.937 293 HD3 LYS 43 HD3 LYS 43 2.464 -7.761 -16.249 294 HE2 LYS 43 HE2 LYS 43 0.436 -9.572 -17.495 295 HE3 LYS 43 HE3 LYS 43 1.008 -9.884 -15.857 296 HZ1 LYS 43 HZ1 LYS 43 -0.368 -7.455 -16.854 297 HZ2 LYS 43 HZ2 LYS 43 0.386 -7.535 -15.342 298 HZ3 LYS 43 HZ3 LYS 43 -0.922 -8.550 -15.690 299 H TYR 44 H TYR 44 4.818 -6.787 -20.077 300 HA TYR 44 HA TYR 44 4.365 -6.583 -22.978 301 HB2 TYR 44 HB2 TYR 44 5.017 -4.184 -21.333 302 HB3 TYR 44 HB3 TYR 44 3.980 -4.326 -22.748 303 HD1 TYR 44 HD1 TYR 44 4.159 -4.578 -19.111 304 HD2 TYR 44 HD2 TYR 44 1.660 -5.069 -22.519 305 HE1 TYR 44 HE1 TYR 44 2.183 -4.626 -17.647 306 HE2 TYR 44 HE2 TYR 44 -0.324 -5.117 -21.065 307 HH TYR 44 HH TYR 44 -0.032 -5.140 -17.561 308 H GLY 45 H GLY 45 6.667 -7.841 -21.515 309 HA2 GLY 45 HA2 GLY 45 8.858 -8.091 -22.354 310 HA3 GLY 45 HA3 GLY 45 8.755 -6.478 -23.041 311 H ASN 46 H ASN 46 10.432 -5.409 -22.188 312 HA ASN 46 HA ASN 46 11.082 -5.734 -19.366 313 HB2 ASN 46 HB2 ASN 46 12.452 -4.306 -21.646 314 HB3 ASN 46 HB3 ASN 46 13.004 -4.179 -19.978 315 HD21 ASN 46 HD21 ASN 46 13.306 -6.347 -18.877 316 HD22 ASN 46 HD22 ASN 46 14.092 -7.573 -19.806 317 H ALA 47 H ALA 47 10.211 -4.461 -17.884 318 HA ALA 47 HA ALA 47 9.693 -1.648 -18.541 319 HB1 ALA 47 HB1 ALA 47 7.554 -2.696 -18.802 320 HB2 ALA 47 HB2 ALA 47 7.719 -3.527 -17.255 321 HB3 ALA 47 HB3 ALA 47 7.540 -1.773 -17.298 322 H CYS 48 H CYS 48 9.806 -0.215 -16.792 323 HA CYS 48 HA CYS 48 11.627 -0.927 -14.751 324 HB2 CYS 48 HB2 CYS 48 11.244 1.383 -15.748 325 HB3 CYS 48 HB3 CYS 48 9.819 1.488 -14.719 326 H TRP 49 H TRP 49 11.120 -2.294 -13.168 327 HA TRP 49 HA TRP 49 8.425 -2.279 -12.041 328 HB2 TRP 49 HB2 TRP 49 9.342 -4.454 -12.636 329 HB3 TRP 49 HB3 TRP 49 10.751 -4.167 -11.619 330 HD1 TRP 49 HD1 TRP 49 10.358 -4.250 -8.936 331 HE1 TRP 49 HE1 TRP 49 8.574 -5.467 -7.536 332 HE3 TRP 49 HE3 TRP 49 6.937 -5.188 -12.618 333 HZ2 TRP 49 HZ2 TRP 49 6.051 -6.667 -7.939 334 HZ3 TRP 49 HZ3 TRP 49 4.865 -6.376 -12.027 335 HH2 TRP 49 HH2 TRP 49 4.433 -7.100 -9.736 336 H CYS 50 H CYS 50 7.969 -1.221 -10.234 337 HA CYS 50 HA CYS 50 10.190 -0.404 -8.486 338 HB2 CYS 50 HB2 CYS 50 7.433 0.807 -8.467 339 HB3 CYS 50 HB3 CYS 50 8.935 1.495 -7.859 340 H ILE 51 H ILE 51 10.232 -0.988 -6.388 341 HA ILE 51 HA ILE 51 8.118 -2.802 -5.472 342 HB ILE 51 HB ILE 51 10.929 -2.365 -4.465 343 HG12 ILE 51 HG12 ILE 51 10.935 -4.910 -5.082 344 HG13 ILE 51 HG13 ILE 51 9.552 -4.481 -6.082 345 HG21 ILE 51 HG21 ILE 51 8.600 -3.661 -3.219 346 HG22 ILE 51 HG22 ILE 51 10.096 -4.594 -3.192 347 HG23 ILE 51 HG23 ILE 51 10.050 -2.979 -2.484 348 HD11 ILE 51 HD11 ILE 51 10.869 -2.951 -7.356 349 HD12 ILE 51 HD12 ILE 51 12.242 -3.153 -6.267 350 HD13 ILE 51 HD13 ILE 51 11.718 -4.495 -7.284 351 H GLN 52 H GLN 52 6.926 -2.434 -3.663 352 HA GLN 52 HA GLN 52 5.961 -1.317 -1.932 353 HB2 GLN 52 HB2 GLN 52 8.803 -0.458 -1.751 354 HB3 GLN 52 HB3 GLN 52 7.619 0.466 -0.836 355 HG2 GLN 52 HG2 GLN 52 7.654 -2.508 -0.626 356 HG3 GLN 52 HG3 GLN 52 8.840 -1.548 0.257 357 HE21 GLN 52 HE21 GLN 52 5.468 -2.322 -0.103 358 HE22 GLN 52 HE22 GLN 52 4.945 -1.647 1.398 359 H LEU 53 H LEU 53 5.462 -0.392 -4.500 360 HA LEU 53 HA LEU 53 5.675 2.497 -4.494 361 HB2 LEU 53 HB2 LEU 53 5.783 0.890 -6.524 362 HB3 LEU 53 HB3 LEU 53 4.024 0.909 -6.421 363 HG LEU 53 HG LEU 53 4.103 3.386 -6.696 364 HD11 LEU 53 HD11 LEU 53 6.406 3.708 -5.898 365 HD12 LEU 53 HD12 LEU 53 6.140 4.425 -7.487 366 HD13 LEU 53 HD13 LEU 53 7.006 2.896 -7.344 367 HD21 LEU 53 HD21 LEU 53 3.987 3.190 -8.945 368 HD22 LEU 53 HD22 LEU 53 4.071 1.468 -8.570 369 HD23 LEU 53 HD23 LEU 53 5.526 2.336 -9.062 370 HA PRO 54 HA PRO 54 1.844 3.136 -2.377 371 HB2 PRO 54 HB2 PRO 54 1.567 5.775 -2.952 372 HB3 PRO 54 HB3 PRO 54 2.716 5.169 -1.754 373 HG2 PRO 54 HG2 PRO 54 3.195 5.982 -4.595 374 HG3 PRO 54 HG3 PRO 54 4.164 6.332 -3.152 375 HD2 PRO 54 HD2 PRO 54 4.819 4.378 -4.909 376 HD3 PRO 54 HD3 PRO 54 5.172 4.259 -3.173 377 H ASP 55 H ASP 55 -0.314 3.214 -2.861 378 HA ASP 55 HA ASP 55 -1.134 2.661 -5.495 379 HB2 ASP 55 HB2 ASP 55 -2.707 3.468 -3.045 380 HB3 ASP 55 HB3 ASP 55 -3.458 2.987 -4.564 381 H ASN 56 H ASN 56 -0.244 5.565 -4.133 382 HA ASN 56 HA ASN 56 -2.128 7.285 -5.443 383 HB2 ASN 56 HB2 ASN 56 0.541 7.840 -4.135 384 HB3 ASN 56 HB3 ASN 56 -0.519 9.092 -4.776 385 HD21 ASN 56 HD21 ASN 56 -1.217 10.117 -3.023 386 HD22 ASN 56 HD22 ASN 56 -2.008 9.373 -1.680 387 H VAL 57 H VAL 57 0.870 5.776 -6.286 388 HA VAL 57 HA VAL 57 1.265 7.500 -8.604 389 HB VAL 57 HB VAL 57 2.896 5.076 -7.859 390 HG11 VAL 57 HG11 VAL 57 4.631 6.148 -9.169 391 HG12 VAL 57 HG12 VAL 57 3.168 5.966 -10.139 392 HG13 VAL 57 HG13 VAL 57 3.587 7.539 -9.458 393 HG21 VAL 57 HG21 VAL 57 4.120 6.239 -6.343 394 HG22 VAL 57 HG22 VAL 57 3.858 7.785 -7.150 395 HG23 VAL 57 HG23 VAL 57 2.591 7.095 -6.135 396 HA PRO 58 HA PRO 58 -0.960 4.818 -11.317 397 HB2 PRO 58 HB2 PRO 58 0.018 5.771 -13.663 398 HB3 PRO 58 HB3 PRO 58 -1.170 6.647 -12.691 399 HG2 PRO 58 HG2 PRO 58 1.795 7.028 -12.855 400 HG3 PRO 58 HG3 PRO 58 0.510 8.250 -12.819 401 HD2 PRO 58 HD2 PRO 58 1.967 7.603 -10.630 402 HD3 PRO 58 HD3 PRO 58 0.269 8.110 -10.531 403 H ILE 59 H ILE 59 -0.641 2.923 -12.418 404 HA ILE 59 HA ILE 59 2.152 2.107 -12.887 405 HB ILE 59 HB ILE 59 1.479 -0.212 -12.325 406 HG12 ILE 59 HG12 ILE 59 -0.989 0.925 -11.041 407 HG13 ILE 59 HG13 ILE 59 -1.022 0.385 -12.716 408 HG21 ILE 59 HG21 ILE 59 2.475 0.399 -10.431 409 HG22 ILE 59 HG22 ILE 59 1.767 2.012 -10.499 410 HG23 ILE 59 HG23 ILE 59 0.863 0.683 -9.773 411 HD11 ILE 59 HD11 ILE 59 -1.432 -1.157 -10.452 412 HD12 ILE 59 HD12 ILE 59 -1.188 -1.735 -12.101 413 HD13 ILE 59 HD13 ILE 59 0.185 -1.594 -11.003 414 H ARG 60 H ARG 60 2.172 0.049 -14.332 415 HA ARG 60 HA ARG 60 1.032 0.777 -16.828 416 HB2 ARG 60 HB2 ARG 60 3.047 -0.342 -17.064 417 HB3 ARG 60 HB3 ARG 60 2.654 -1.526 -15.825 418 HG2 ARG 60 HG2 ARG 60 2.723 -2.399 -18.171 419 HG3 ARG 60 HG3 ARG 60 1.227 -2.719 -17.291 420 HD2 ARG 60 HD2 ARG 60 0.130 -1.811 -18.999 421 HD3 ARG 60 HD3 ARG 60 0.819 -0.258 -18.527 422 HE ARG 60 HE ARG 60 2.555 -1.819 -20.199 423 HH11 ARG 60 HH11 ARG 60 -0.088 0.447 -20.153 424 HH12 ARG 60 HH12 ARG 60 0.231 1.051 -21.745 425 HH21 ARG 60 HH21 ARG 60 2.985 -1.032 -22.296 426 HH22 ARG 60 HH22 ARG 60 1.979 0.208 -22.964 427 H ILE 61 H ILE 61 -0.977 0.442 -17.485 428 HA ILE 61 HA ILE 61 -2.445 -1.874 -16.402 429 HB ILE 61 HB ILE 61 -4.470 -0.330 -17.190 430 HG12 ILE 61 HG12 ILE 61 -2.459 1.700 -16.215 431 HG13 ILE 61 HG13 ILE 61 -2.807 1.445 -17.922 432 HG21 ILE 61 HG21 ILE 61 -3.091 -0.814 -14.682 433 HG22 ILE 61 HG22 ILE 61 -3.984 0.706 -14.677 434 HG23 ILE 61 HG23 ILE 61 -4.817 -0.805 -15.039 435 HD11 ILE 61 HD11 ILE 61 -4.856 2.225 -15.863 436 HD12 ILE 61 HD12 ILE 61 -4.023 3.350 -16.937 437 HD13 ILE 61 HD13 ILE 61 -5.089 2.115 -17.607 438 HA PRO 62 HA PRO 62 -3.170 -3.371 -20.462 439 HB2 PRO 62 HB2 PRO 62 -5.731 -4.260 -20.309 440 HB3 PRO 62 HB3 PRO 62 -4.381 -5.078 -19.515 441 HG2 PRO 62 HG2 PRO 62 -6.393 -3.187 -18.360 442 HG3 PRO 62 HG3 PRO 62 -5.760 -4.697 -17.681 443 HD2 PRO 62 HD2 PRO 62 -4.868 -2.263 -16.900 444 HD3 PRO 62 HD3 PRO 62 -3.822 -3.697 -16.935 445 H GLY 63 H GLY 63 -3.128 -0.853 -20.938 446 HA2 GLY 63 HA2 GLY 63 -5.542 -0.334 -22.530 447 HA3 GLY 63 HA3 GLY 63 -4.982 0.907 -21.418 448 H LYS 64 H LYS 64 -5.127 1.840 -23.807 449 HA LYS 64 HA LYS 64 -2.747 1.341 -25.371 450 HB2 LYS 64 HB2 LYS 64 -4.866 3.466 -25.735 451 HB3 LYS 64 HB3 LYS 64 -3.652 2.991 -26.915 452 HG2 LYS 64 HG2 LYS 64 -5.595 0.983 -25.854 453 HG3 LYS 64 HG3 LYS 64 -6.062 2.094 -27.144 454 HD2 LYS 64 HD2 LYS 64 -3.542 0.483 -27.341 455 HD3 LYS 64 HD3 LYS 64 -5.100 -0.221 -27.777 456 HE2 LYS 64 HE2 LYS 64 -4.264 2.421 -28.907 457 HE3 LYS 64 HE3 LYS 64 -3.647 0.923 -29.603 458 HZ1 LYS 64 HZ1 LYS 64 -5.507 1.080 -30.831 459 HZ2 LYS 64 HZ2 LYS 64 -6.317 2.054 -29.711 460 HZ3 LYS 64 HZ3 LYS 64 -6.247 0.379 -29.481 461 H CYS 65 H CYS 65 -1.005 2.690 -25.623 462 HA CYS 65 HA CYS 65 -0.593 4.623 -23.490 463 HB2 CYS 65 HB2 CYS 65 1.277 3.244 -23.727 464 HB3 CYS 65 HB3 CYS 65 1.193 3.268 -25.485 465 H HIS 66 H HIS 66 0.250 6.756 -23.904 466 HA HIS 66 HA HIS 66 -0.125 8.833 -24.799 467 HB2 HIS 66 HB2 HIS 66 0.985 9.184 -26.892 468 HB3 HIS 66 HB3 HIS 66 1.877 7.935 -26.029 469 HD1 HIS 66 HD1 HIS 66 -0.036 8.568 -29.125 470 HD2 HIS 66 HD2 HIS 66 1.582 5.310 -27.117 471 HE1 HIS 66 HE1 HIS 66 -0.043 6.682 -30.788 Start of MODEL 3 1 H ALA 1 H ALA 1 2.562 -0.118 1.336 2 HA ALA 1 HA ALA 1 1.443 0.734 -1.230 3 HB1 ALA 1 HB1 ALA 1 4.284 0.190 -1.251 4 HB2 ALA 1 HB2 ALA 1 3.418 1.683 -1.614 5 HB3 ALA 1 HB3 ALA 1 3.841 1.292 0.053 6 H ARG 2 H ARG 2 2.370 -0.408 -3.198 7 HA ARG 2 HA ARG 2 2.693 -3.289 -2.740 8 HB2 ARG 2 HB2 ARG 2 1.212 -3.579 -4.834 9 HB3 ARG 2 HB3 ARG 2 0.427 -3.244 -3.296 10 HG2 ARG 2 HG2 ARG 2 -0.686 -1.717 -4.511 11 HG3 ARG 2 HG3 ARG 2 0.750 -0.736 -4.208 12 HD2 ARG 2 HD2 ARG 2 1.660 -1.828 -6.368 13 HD3 ARG 2 HD3 ARG 2 -0.025 -2.243 -6.678 14 HE ARG 2 HE ARG 2 1.173 0.387 -6.786 15 HH11 ARG 2 HH11 ARG 2 -1.767 -1.468 -6.594 16 HH12 ARG 2 HH12 ARG 2 -2.764 -0.195 -7.215 17 HH21 ARG 2 HH21 ARG 2 -0.129 2.071 -7.603 18 HH22 ARG 2 HH22 ARG 2 -1.832 1.818 -7.789 19 H ASP 3 H ASP 3 3.522 -4.437 -4.665 20 HA ASP 3 HA ASP 3 5.483 -2.757 -6.046 21 HB2 ASP 3 HB2 ASP 3 5.322 -5.765 -5.757 22 HB3 ASP 3 HB3 ASP 3 6.612 -4.895 -6.582 23 H ALA 4 H ALA 4 5.461 -2.421 -8.189 24 HA ALA 4 HA ALA 4 4.274 -4.144 -10.088 25 HB1 ALA 4 HB1 ALA 4 2.613 -1.864 -9.095 26 HB2 ALA 4 HB2 ALA 4 2.474 -2.406 -10.768 27 HB3 ALA 4 HB3 ALA 4 2.138 -3.526 -9.448 28 H TYR 5 H TYR 5 3.815 -2.702 -12.218 29 HA TYR 5 HA TYR 5 6.358 -1.425 -12.741 30 HB2 TYR 5 HB2 TYR 5 4.023 -1.879 -14.609 31 HB3 TYR 5 HB3 TYR 5 5.658 -1.423 -15.074 32 HD1 TYR 5 HD1 TYR 5 3.426 -4.136 -14.414 33 HD2 TYR 5 HD2 TYR 5 7.543 -3.071 -14.557 34 HE1 TYR 5 HE1 TYR 5 4.028 -6.513 -14.603 35 HE2 TYR 5 HE2 TYR 5 8.156 -5.445 -14.748 36 HH TYR 5 HH TYR 5 5.871 -7.978 -14.258 37 H ILE 6 H ILE 6 6.720 0.701 -13.096 38 HA ILE 6 HA ILE 6 4.753 2.575 -12.197 39 HB ILE 6 HB ILE 6 7.029 3.059 -11.670 40 HG12 ILE 6 HG12 ILE 6 6.506 5.021 -13.876 41 HG13 ILE 6 HG13 ILE 6 5.392 4.921 -12.517 42 HG21 ILE 6 HG21 ILE 6 8.576 3.663 -13.676 43 HG22 ILE 6 HG22 ILE 6 8.358 1.977 -13.212 44 HG23 ILE 6 HG23 ILE 6 7.476 2.632 -14.591 45 HD11 ILE 6 HD11 ILE 6 6.786 6.004 -11.163 46 HD12 ILE 6 HD12 ILE 6 8.185 5.081 -11.711 47 HD13 ILE 6 HD13 ILE 6 7.631 6.476 -12.636 48 H ALA 7 H ALA 7 3.449 3.886 -13.345 49 HA ALA 7 HA ALA 7 3.325 3.460 -16.230 50 HB1 ALA 7 HB1 ALA 7 1.419 4.568 -14.205 51 HB2 ALA 7 HB2 ALA 7 1.175 4.857 -15.928 52 HB3 ALA 7 HB3 ALA 7 1.210 3.207 -15.307 53 H LYS 8 H LYS 8 3.069 5.258 -17.696 54 HA LYS 8 HA LYS 8 4.055 7.838 -16.725 55 HB2 LYS 8 HB2 LYS 8 6.000 7.771 -17.832 56 HB3 LYS 8 HB3 LYS 8 5.724 6.044 -18.020 57 HG2 LYS 8 HG2 LYS 8 4.607 6.472 -20.165 58 HG3 LYS 8 HG3 LYS 8 4.947 8.195 -19.980 59 HD2 LYS 8 HD2 LYS 8 7.128 7.954 -20.520 60 HD3 LYS 8 HD3 LYS 8 7.267 6.398 -19.699 61 HE2 LYS 8 HE2 LYS 8 7.514 6.366 -22.219 62 HE3 LYS 8 HE3 LYS 8 6.347 5.236 -21.533 63 HZ1 LYS 8 HZ1 LYS 8 4.713 7.203 -21.983 64 HZ2 LYS 8 HZ2 LYS 8 5.136 6.137 -23.226 65 HZ3 LYS 8 HZ3 LYS 8 5.878 7.654 -23.124 66 HA PRO 9 HA PRO 9 1.235 9.685 -19.535 67 HB2 PRO 9 HB2 PRO 9 2.656 11.700 -20.672 68 HB3 PRO 9 HB3 PRO 9 2.117 11.735 -18.989 69 HG2 PRO 9 HG2 PRO 9 4.803 11.023 -20.104 70 HG3 PRO 9 HG3 PRO 9 4.406 12.014 -18.688 71 HD2 PRO 9 HD2 PRO 9 5.189 9.430 -18.485 72 HD3 PRO 9 HD3 PRO 9 4.051 10.176 -17.344 73 H HIS 10 H HIS 10 1.488 8.204 -22.665 74 HA HIS 10 HA HIS 10 0.461 8.504 -19.926 75 HB2 HIS 10 HB2 HIS 10 -0.827 9.282 -22.490 76 HB3 HIS 10 HB3 HIS 10 -1.854 8.523 -21.278 77 HD1 HIS 10 HD1 HIS 10 -2.625 9.957 -19.367 78 HD2 HIS 10 HD2 HIS 10 0.382 11.752 -21.602 79 HE1 HIS 10 HE1 HIS 10 -2.463 12.314 -18.506 80 H ASN 11 H ASN 11 -0.179 6.652 -19.029 81 HA ASN 11 HA ASN 11 -0.659 4.447 -18.750 82 HB2 ASN 11 HB2 ASN 11 -2.620 5.296 -20.243 83 HB3 ASN 11 HB3 ASN 11 -1.829 4.369 -21.515 84 HD21 ASN 11 HD21 ASN 11 -1.622 2.108 -21.263 85 HD22 ASN 11 HD22 ASN 11 -2.683 1.231 -20.219 86 H CYS 12 H CYS 12 1.895 5.126 -19.824 87 HA CYS 12 HA CYS 12 2.449 2.731 -21.451 88 HB2 CYS 12 HB2 CYS 12 4.353 5.026 -21.447 89 HB3 CYS 12 HB3 CYS 12 3.987 3.872 -22.726 90 H VAL 13 H VAL 13 4.397 1.598 -21.021 91 HA VAL 13 HA VAL 13 5.130 1.644 -18.221 92 HB VAL 13 HB VAL 13 5.929 -0.475 -18.486 93 HG11 VAL 13 HG11 VAL 13 3.603 0.028 -19.838 94 HG12 VAL 13 HG12 VAL 13 4.549 -0.862 -21.032 95 HG13 VAL 13 HG13 VAL 13 4.232 -1.572 -19.449 96 HG21 VAL 13 HG21 VAL 13 6.723 -1.211 -20.895 97 HG22 VAL 13 HG22 VAL 13 6.938 0.528 -21.099 98 HG23 VAL 13 HG23 VAL 13 7.789 -0.320 -19.808 99 H TYR 14 H TYR 14 7.335 1.689 -17.482 100 HA TYR 14 HA TYR 14 8.947 3.573 -19.026 101 HB2 TYR 14 HB2 TYR 14 8.729 2.834 -16.156 102 HB3 TYR 14 HB3 TYR 14 10.309 3.362 -16.727 103 HD1 TYR 14 HD1 TYR 14 7.016 4.391 -15.722 104 HD2 TYR 14 HD2 TYR 14 10.495 5.629 -17.836 105 HE1 TYR 14 HE1 TYR 14 6.297 6.734 -15.521 106 HE2 TYR 14 HE2 TYR 14 9.786 7.976 -17.640 107 HH TYR 14 HH TYR 14 8.330 9.339 -16.132 108 H GLU 15 H GLU 15 10.114 2.484 -20.517 109 HA GLU 15 HA GLU 15 11.215 -0.088 -20.157 110 HB2 GLU 15 HB2 GLU 15 10.762 1.196 -22.344 111 HB3 GLU 15 HB3 GLU 15 12.320 1.961 -22.063 112 HG2 GLU 15 HG2 GLU 15 13.487 -0.036 -22.328 113 HG3 GLU 15 HG3 GLU 15 12.044 -1.019 -22.090 114 H CYS 16 H CYS 16 13.106 -0.777 -19.340 115 HA CYS 16 HA CYS 16 14.743 1.137 -17.909 116 HB2 CYS 16 HB2 CYS 16 15.553 -0.649 -16.693 117 HB3 CYS 16 HB3 CYS 16 13.974 -1.270 -17.165 118 H TYR 17 H TYR 17 16.728 1.820 -18.464 119 HA TYR 17 HA TYR 17 17.970 0.615 -20.850 120 HB2 TYR 17 HB2 TYR 17 16.956 2.970 -21.083 121 HB3 TYR 17 HB3 TYR 17 18.300 3.507 -20.081 122 HD1 TYR 17 HD1 TYR 17 17.972 1.144 -22.967 123 HD2 TYR 17 HD2 TYR 17 19.927 4.551 -21.330 124 HE1 TYR 17 HE1 TYR 17 19.399 1.278 -24.965 125 HE2 TYR 17 HE2 TYR 17 21.358 4.695 -23.325 126 HH TYR 17 HH TYR 17 21.467 3.992 -25.569 127 H ASN 18 H ASN 18 18.361 0.122 -17.930 128 HA ASN 18 HA ASN 18 21.252 0.215 -17.972 129 HB2 ASN 18 HB2 ASN 18 20.216 2.381 -16.861 130 HB3 ASN 18 HB3 ASN 18 20.014 1.307 -15.480 131 HD21 ASN 18 HD21 ASN 18 21.704 3.633 -15.727 132 HD22 ASN 18 HD22 ASN 18 23.324 3.097 -15.453 133 HA PRO 19 HA PRO 19 19.464 -3.609 -16.106 134 HB2 PRO 19 HB2 PRO 19 21.171 -5.288 -17.385 135 HB3 PRO 19 HB3 PRO 19 19.666 -4.713 -18.111 136 HG2 PRO 19 HG2 PRO 19 22.463 -3.730 -18.520 137 HG3 PRO 19 HG3 PRO 19 21.188 -4.008 -19.721 138 HD2 PRO 19 HD2 PRO 19 21.787 -1.542 -18.776 139 HD3 PRO 19 HD3 PRO 19 20.143 -2.006 -19.259 140 H LYS 20 H LYS 20 22.686 -2.302 -16.381 141 HA LYS 20 HA LYS 20 23.682 -4.017 -14.236 142 HB2 LYS 20 HB2 LYS 20 25.136 -1.886 -15.812 143 HB3 LYS 20 HB3 LYS 20 25.865 -3.057 -14.721 144 HG2 LYS 20 HG2 LYS 20 25.370 -4.858 -16.184 145 HG3 LYS 20 HG3 LYS 20 24.341 -3.838 -17.193 146 HD2 LYS 20 HD2 LYS 20 26.277 -3.885 -18.437 147 HD3 LYS 20 HD3 LYS 20 26.530 -2.428 -17.473 148 HE2 LYS 20 HE2 LYS 20 28.537 -3.812 -17.517 149 HE3 LYS 20 HE3 LYS 20 27.876 -3.706 -15.886 150 HZ1 LYS 20 HZ1 LYS 20 27.051 -5.954 -17.573 151 HZ2 LYS 20 HZ2 LYS 20 27.253 -5.883 -15.896 152 HZ3 LYS 20 HZ3 LYS 20 28.605 -5.989 -16.906 153 H GLY 21 H GLY 21 22.523 -0.808 -14.793 154 HA2 GLY 21 HA2 GLY 21 23.500 0.067 -12.160 155 HA3 GLY 21 HA3 GLY 21 22.905 1.126 -13.430 156 H SER 22 H SER 22 21.894 1.679 -11.088 157 HA SER 22 HA SER 22 19.400 0.199 -10.726 158 HB2 SER 22 HB2 SER 22 19.260 1.138 -8.593 159 HB3 SER 22 HB3 SER 22 21.001 0.974 -8.817 160 HG SER 22 HG SER 22 20.306 3.058 -8.021 161 H TYR 23 H TYR 23 19.936 1.994 -13.032 162 HA TYR 23 HA TYR 23 18.783 4.456 -12.969 163 HB2 TYR 23 HB2 TYR 23 19.744 3.254 -14.979 164 HB3 TYR 23 HB3 TYR 23 18.186 2.453 -15.149 165 HD1 TYR 23 HD1 TYR 23 16.671 3.388 -16.613 166 HD2 TYR 23 HD2 TYR 23 19.551 5.915 -14.764 167 HE1 TYR 23 HE1 TYR 23 15.829 5.293 -17.921 168 HE2 TYR 23 HE2 TYR 23 18.717 7.828 -16.065 169 HH TYR 23 HH TYR 23 16.074 7.443 -18.409 170 H CYS 24 H CYS 24 17.062 1.363 -13.256 171 HA CYS 24 HA CYS 24 14.469 2.476 -13.393 172 HB2 CYS 24 HB2 CYS 24 14.949 0.181 -14.107 173 HB3 CYS 24 HB3 CYS 24 15.345 -0.263 -12.451 174 H ASN 25 H ASN 25 16.358 1.180 -10.680 175 HA ASN 25 HA ASN 25 14.456 1.399 -8.675 176 HB2 ASN 25 HB2 ASN 25 16.952 0.504 -8.688 177 HB3 ASN 25 HB3 ASN 25 17.287 2.109 -8.044 178 HD21 ASN 25 HD21 ASN 25 15.567 2.728 -6.290 179 HD22 ASN 25 HD22 ASN 25 15.347 1.532 -5.062 180 H ASP 26 H ASP 26 16.888 3.810 -9.654 181 HA ASP 26 HA ASP 26 16.193 5.824 -7.874 182 HB2 ASP 26 HB2 ASP 26 17.487 5.784 -10.567 183 HB3 ASP 26 HB3 ASP 26 17.014 7.336 -9.881 184 H LEU 27 H LEU 27 15.028 5.346 -11.206 185 HA LEU 27 HA LEU 27 13.240 7.499 -11.250 186 HB2 LEU 27 HB2 LEU 27 13.542 6.695 -13.347 187 HB3 LEU 27 HB3 LEU 27 13.633 5.020 -12.808 188 HG LEU 27 HG LEU 27 11.188 4.958 -12.611 189 HD11 LEU 27 HD11 LEU 27 9.807 6.730 -12.964 190 HD12 LEU 27 HD12 LEU 27 10.926 7.529 -14.068 191 HD13 LEU 27 HD13 LEU 27 11.209 7.591 -12.328 192 HD21 LEU 27 HD21 LEU 27 10.930 4.435 -14.786 193 HD22 LEU 27 HD22 LEU 27 12.663 4.751 -14.864 194 HD23 LEU 27 HD23 LEU 27 11.516 6.003 -15.343 195 H CYS 28 H CYS 28 12.880 4.207 -10.078 196 HA CYS 28 HA CYS 28 10.079 4.231 -9.741 197 HB2 CYS 28 HB2 CYS 28 12.334 2.581 -8.706 198 HB3 CYS 28 HB3 CYS 28 10.786 2.467 -7.875 199 H THR 29 H THR 29 12.699 4.774 -7.388 200 HA THR 29 HA THR 29 11.032 5.427 -5.222 201 HB THR 29 HB THR 29 12.934 5.932 -4.043 202 HG1 THR 29 HG1 THR 29 14.450 6.732 -6.279 203 HG21 THR 29 HG21 THR 29 14.266 4.173 -4.460 204 HG22 THR 29 HG22 THR 29 14.672 4.751 -6.076 205 HG23 THR 29 HG23 THR 29 13.183 3.846 -5.811 206 H GLU 30 H GLU 30 12.076 7.260 -7.963 207 HA GLU 30 HA GLU 30 11.837 9.866 -6.976 208 HB2 GLU 30 HB2 GLU 30 11.855 8.581 -9.625 209 HB3 GLU 30 HB3 GLU 30 11.013 10.123 -9.565 210 HG2 GLU 30 HG2 GLU 30 13.156 10.939 -8.340 211 HG3 GLU 30 HG3 GLU 30 13.892 9.520 -9.084 212 H ASN 31 H ASN 31 9.442 7.503 -7.683 213 HA ASN 31 HA ASN 31 7.310 9.520 -7.611 214 HB2 ASN 31 HB2 ASN 31 7.213 6.595 -8.383 215 HB3 ASN 31 HB3 ASN 31 5.832 7.689 -8.392 216 HD21 ASN 31 HD21 ASN 31 9.106 7.359 -9.698 217 HD22 ASN 31 HD22 ASN 31 8.752 8.071 -11.232 218 H GLY 32 H GLY 32 8.939 8.422 -5.307 219 HA2 GLY 32 HA2 GLY 32 8.375 8.237 -3.056 220 HA3 GLY 32 HA3 GLY 32 6.688 8.070 -3.519 221 H ALA 33 H ALA 33 8.919 6.032 -5.140 222 HA ALA 33 HA ALA 33 7.733 3.705 -3.887 223 HB1 ALA 33 HB1 ALA 33 8.449 2.507 -5.693 224 HB2 ALA 33 HB2 ALA 33 8.380 4.115 -6.415 225 HB3 ALA 33 HB3 ALA 33 9.925 3.455 -5.878 226 H GLU 34 H GLU 34 8.864 2.081 -2.794 227 HA GLU 34 HA GLU 34 11.027 3.016 -1.171 228 HB2 GLU 34 HB2 GLU 34 9.072 1.203 -0.767 229 HB3 GLU 34 HB3 GLU 34 10.387 0.124 -1.208 230 HG2 GLU 34 HG2 GLU 34 11.761 1.023 0.572 231 HG3 GLU 34 HG3 GLU 34 10.494 2.175 0.991 232 H SER 35 H SER 35 10.716 0.967 -3.985 233 HA SER 35 HA SER 35 13.531 1.133 -4.503 234 HB2 SER 35 HB2 SER 35 12.310 -1.513 -3.703 235 HB3 SER 35 HB3 SER 35 13.818 -1.387 -4.608 236 HG SER 35 HG SER 35 13.259 -0.662 -1.959 237 H GLY 36 H GLY 36 14.036 -0.422 -6.472 238 HA2 GLY 36 HA2 GLY 36 11.885 -1.077 -8.213 239 HA3 GLY 36 HA3 GLY 36 12.580 0.477 -8.651 240 H TYR 37 H TYR 37 12.549 -2.001 -10.178 241 HA TYR 37 HA TYR 37 15.364 -2.070 -10.841 242 HB2 TYR 37 HB2 TYR 37 15.815 -4.289 -10.388 243 HB3 TYR 37 HB3 TYR 37 14.771 -3.881 -9.030 244 HD1 TYR 37 HD1 TYR 37 12.137 -4.184 -9.693 245 HD2 TYR 37 HD2 TYR 37 15.410 -6.333 -11.357 246 HE1 TYR 37 HE1 TYR 37 10.615 -6.015 -10.308 247 HE2 TYR 37 HE2 TYR 37 13.897 -8.170 -11.977 248 HH TYR 37 HH TYR 37 11.782 -8.857 -12.082 249 H CYS 38 H CYS 38 15.778 -3.239 -12.860 250 HA CYS 38 HA CYS 38 13.688 -2.740 -14.763 251 HB2 CYS 38 HB2 CYS 38 15.864 -2.234 -15.526 252 HB3 CYS 38 HB3 CYS 38 16.507 -3.778 -14.976 253 H GLN 39 H GLN 39 12.126 -4.112 -15.271 254 HA GLN 39 HA GLN 39 12.445 -6.947 -14.637 255 HB2 GLN 39 HB2 GLN 39 10.430 -6.118 -13.757 256 HB3 GLN 39 HB3 GLN 39 10.070 -5.198 -15.212 257 HG2 GLN 39 HG2 GLN 39 10.239 -8.148 -15.449 258 HG3 GLN 39 HG3 GLN 39 8.837 -7.461 -14.630 259 HE21 GLN 39 HE21 GLN 39 10.421 -7.978 -17.624 260 HE22 GLN 39 HE22 GLN 39 9.214 -7.275 -18.641 261 H ILE 40 H ILE 40 13.099 -8.282 -16.176 262 HA ILE 40 HA ILE 40 12.742 -7.534 -18.981 263 HB ILE 40 HB ILE 40 14.308 -9.887 -17.939 264 HG12 ILE 40 HG12 ILE 40 14.887 -7.055 -17.706 265 HG13 ILE 40 HG13 ILE 40 15.747 -8.431 -17.023 266 HG21 ILE 40 HG21 ILE 40 14.398 -8.334 -20.521 267 HG22 ILE 40 HG22 ILE 40 15.512 -9.626 -20.079 268 HG23 ILE 40 HG23 ILE 40 13.798 -9.977 -20.297 269 HD11 ILE 40 HD11 ILE 40 17.030 -8.689 -19.032 270 HD12 ILE 40 HD12 ILE 40 16.090 -7.433 -19.838 271 HD13 ILE 40 HD13 ILE 40 17.140 -7.017 -18.484 272 H LEU 41 H LEU 41 11.903 -10.057 -16.678 273 HA LEU 41 HA LEU 41 10.573 -11.659 -18.688 274 HB2 LEU 41 HB2 LEU 41 10.298 -12.057 -15.735 275 HB3 LEU 41 HB3 LEU 41 10.241 -13.255 -17.026 276 HG LEU 41 HG LEU 41 12.762 -11.795 -16.267 277 HD11 LEU 41 HD11 LEU 41 11.977 -14.547 -15.344 278 HD12 LEU 41 HD12 LEU 41 11.754 -13.102 -14.359 279 HD13 LEU 41 HD13 LEU 41 13.375 -13.589 -14.855 280 HD21 LEU 41 HD21 LEU 41 12.027 -13.607 -18.346 281 HD22 LEU 41 HD22 LEU 41 13.199 -14.390 -17.285 282 HD23 LEU 41 HD23 LEU 41 13.587 -12.843 -18.039 283 H GLY 42 H GLY 42 9.377 -9.357 -18.971 284 HA2 GLY 42 HA2 GLY 42 6.945 -9.397 -17.309 285 HA3 GLY 42 HA3 GLY 42 7.512 -8.021 -18.245 286 H LYS 43 H LYS 43 5.197 -8.076 -18.925 287 HA LYS 43 HA LYS 43 4.661 -10.101 -20.979 288 HB2 LYS 43 HB2 LYS 43 2.941 -9.739 -19.232 289 HB3 LYS 43 HB3 LYS 43 2.787 -8.067 -19.755 290 HG2 LYS 43 HG2 LYS 43 2.436 -10.135 -21.834 291 HG3 LYS 43 HG3 LYS 43 1.179 -10.024 -20.600 292 HD2 LYS 43 HD2 LYS 43 0.765 -7.732 -21.122 293 HD3 LYS 43 HD3 LYS 43 2.183 -7.656 -22.170 294 HE2 LYS 43 HE2 LYS 43 0.570 -7.934 -23.754 295 HE3 LYS 43 HE3 LYS 43 0.917 -9.627 -23.405 296 HZ1 LYS 43 HZ1 LYS 43 -0.984 -9.770 -22.021 297 HZ2 LYS 43 HZ2 LYS 43 -1.488 -9.037 -23.459 298 HZ3 LYS 43 HZ3 LYS 43 -1.247 -8.099 -22.072 299 H TYR 44 H TYR 44 5.387 -6.758 -20.531 300 HA TYR 44 HA TYR 44 4.875 -6.249 -23.387 301 HB2 TYR 44 HB2 TYR 44 5.326 -4.003 -21.480 302 HB3 TYR 44 HB3 TYR 44 4.315 -4.067 -22.918 303 HD1 TYR 44 HD1 TYR 44 4.428 -4.431 -19.336 304 HD2 TYR 44 HD2 TYR 44 2.113 -5.280 -22.803 305 HE1 TYR 44 HE1 TYR 44 2.450 -4.791 -17.919 306 HE2 TYR 44 HE2 TYR 44 0.128 -5.640 -21.396 307 HH TYR 44 HH TYR 44 -0.330 -6.291 -18.993 308 H GLY 45 H GLY 45 7.260 -7.474 -22.023 309 HA2 GLY 45 HA2 GLY 45 9.472 -7.467 -22.837 310 HA3 GLY 45 HA3 GLY 45 9.244 -5.810 -23.376 311 H ASN 46 H ASN 46 10.721 -4.603 -22.382 312 HA ASN 46 HA ASN 46 11.445 -5.176 -19.615 313 HB2 ASN 46 HB2 ASN 46 12.659 -3.597 -21.839 314 HB3 ASN 46 HB3 ASN 46 13.049 -3.139 -20.184 315 HD21 ASN 46 HD21 ASN 46 13.320 -5.377 -18.839 316 HD22 ASN 46 HD22 ASN 46 14.541 -6.396 -19.515 317 H ALA 47 H ALA 47 10.228 -4.284 -18.089 318 HA ALA 47 HA ALA 47 9.430 -1.468 -18.408 319 HB1 ALA 47 HB1 ALA 47 7.603 -3.020 -16.759 320 HB2 ALA 47 HB2 ALA 47 7.265 -1.896 -18.076 321 HB3 ALA 47 HB3 ALA 47 7.663 -3.578 -18.431 322 H CYS 48 H CYS 48 9.723 -0.171 -16.665 323 HA CYS 48 HA CYS 48 11.453 -1.043 -14.596 324 HB2 CYS 48 HB2 CYS 48 11.214 1.315 -15.571 325 HB3 CYS 48 HB3 CYS 48 9.810 1.483 -14.521 326 H TRP 49 H TRP 49 10.797 -2.417 -13.072 327 HA TRP 49 HA TRP 49 8.078 -2.234 -12.020 328 HB2 TRP 49 HB2 TRP 49 8.763 -4.458 -12.611 329 HB3 TRP 49 HB3 TRP 49 10.254 -4.303 -11.686 330 HD1 TRP 49 HD1 TRP 49 9.980 -4.289 -8.956 331 HE1 TRP 49 HE1 TRP 49 8.219 -5.436 -7.469 332 HE3 TRP 49 HE3 TRP 49 6.385 -5.166 -12.483 333 HZ2 TRP 49 HZ2 TRP 49 5.647 -6.563 -7.754 334 HZ3 TRP 49 HZ3 TRP 49 4.304 -6.284 -11.794 335 HH2 TRP 49 HH2 TRP 49 3.945 -6.968 -9.478 336 H CYS 50 H CYS 50 7.707 -1.024 -10.294 337 HA CYS 50 HA CYS 50 9.910 -0.378 -8.483 338 HB2 CYS 50 HB2 CYS 50 7.114 0.773 -8.546 339 HB3 CYS 50 HB3 CYS 50 8.493 1.402 -7.650 340 H ILE 51 H ILE 51 9.880 -0.809 -6.300 341 HA ILE 51 HA ILE 51 7.856 -2.762 -5.433 342 HB ILE 51 HB ILE 51 10.704 -2.353 -4.528 343 HG12 ILE 51 HG12 ILE 51 10.721 -4.863 -5.156 344 HG13 ILE 51 HG13 ILE 51 9.219 -4.515 -6.006 345 HG21 ILE 51 HG21 ILE 51 8.441 -3.451 -3.087 346 HG22 ILE 51 HG22 ILE 51 9.745 -4.623 -3.272 347 HG23 ILE 51 HG23 ILE 51 10.064 -3.063 -2.516 348 HD11 ILE 51 HD11 ILE 51 10.318 -2.976 -7.454 349 HD12 ILE 51 HD12 ILE 51 11.805 -3.069 -6.511 350 HD13 ILE 51 HD13 ILE 51 11.254 -4.470 -7.429 351 H GLN 52 H GLN 52 6.648 -2.396 -3.655 352 HA GLN 52 HA GLN 52 5.693 -1.313 -1.897 353 HB2 GLN 52 HB2 GLN 52 8.564 -0.520 -1.616 354 HB3 GLN 52 HB3 GLN 52 7.356 0.255 -0.600 355 HG2 GLN 52 HG2 GLN 52 7.463 -2.722 -0.777 356 HG3 GLN 52 HG3 GLN 52 8.608 -1.853 0.244 357 HE21 GLN 52 HE21 GLN 52 5.497 -3.129 -0.011 358 HE22 GLN 52 HE22 GLN 52 4.844 -2.488 1.455 359 H LEU 53 H LEU 53 5.251 -0.225 -4.385 360 HA LEU 53 HA LEU 53 5.659 2.640 -4.249 361 HB2 LEU 53 HB2 LEU 53 5.703 1.209 -6.362 362 HB3 LEU 53 HB3 LEU 53 3.946 1.170 -6.231 363 HG LEU 53 HG LEU 53 3.968 3.672 -6.357 364 HD11 LEU 53 HD11 LEU 53 5.887 4.865 -6.924 365 HD12 LEU 53 HD12 LEU 53 6.778 3.408 -7.364 366 HD13 LEU 53 HD13 LEU 53 6.437 3.755 -5.669 367 HD21 LEU 53 HD21 LEU 53 3.746 3.580 -8.601 368 HD22 LEU 53 HD22 LEU 53 3.900 1.844 -8.327 369 HD23 LEU 53 HD23 LEU 53 5.304 2.786 -8.833 370 HA PRO 54 HA PRO 54 1.888 3.512 -2.130 371 HB2 PRO 54 HB2 PRO 54 1.693 6.144 -2.769 372 HB3 PRO 54 HB3 PRO 54 2.848 5.526 -1.582 373 HG2 PRO 54 HG2 PRO 54 3.286 6.248 -4.454 374 HG3 PRO 54 HG3 PRO 54 4.303 6.598 -3.045 375 HD2 PRO 54 HD2 PRO 54 4.842 4.577 -4.764 376 HD3 PRO 54 HD3 PRO 54 5.234 4.490 -3.034 377 H ASP 55 H ASP 55 -0.287 3.732 -2.554 378 HA ASP 55 HA ASP 55 -1.191 3.117 -5.156 379 HB2 ASP 55 HB2 ASP 55 -2.629 3.999 -2.655 380 HB3 ASP 55 HB3 ASP 55 -3.480 3.625 -4.151 381 H ASN 56 H ASN 56 -0.111 6.001 -3.935 382 HA ASN 56 HA ASN 56 -1.971 7.771 -5.226 383 HB2 ASN 56 HB2 ASN 56 0.806 8.503 -4.310 384 HB3 ASN 56 HB3 ASN 56 -0.611 9.541 -4.433 385 HD21 ASN 56 HD21 ASN 56 -2.419 9.026 -2.978 386 HD22 ASN 56 HD22 ASN 56 -2.051 8.445 -1.393 387 H VAL 57 H VAL 57 0.935 6.111 -6.104 388 HA VAL 57 HA VAL 57 1.363 7.760 -8.466 389 HB VAL 57 HB VAL 57 2.857 5.247 -7.731 390 HG11 VAL 57 HG11 VAL 57 3.666 7.649 -9.367 391 HG12 VAL 57 HG12 VAL 57 4.619 6.188 -9.099 392 HG13 VAL 57 HG13 VAL 57 3.121 6.107 -10.027 393 HG21 VAL 57 HG21 VAL 57 4.168 6.335 -6.241 394 HG22 VAL 57 HG22 VAL 57 4.027 7.881 -7.076 395 HG23 VAL 57 HG23 VAL 57 2.720 7.320 -6.034 396 HA PRO 58 HA PRO 58 -1.100 5.185 -11.077 397 HB2 PRO 58 HB2 PRO 58 -0.124 6.037 -13.463 398 HB3 PRO 58 HB3 PRO 58 -1.227 7.003 -12.476 399 HG2 PRO 58 HG2 PRO 58 1.750 7.188 -12.721 400 HG3 PRO 58 HG3 PRO 58 0.548 8.491 -12.674 401 HD2 PRO 58 HD2 PRO 58 2.017 7.785 -10.512 402 HD3 PRO 58 HD3 PRO 58 0.358 8.403 -10.378 403 H ILE 59 H ILE 59 -0.898 3.158 -11.821 404 HA ILE 59 HA ILE 59 1.818 2.162 -12.374 405 HB ILE 59 HB ILE 59 0.728 -0.121 -11.970 406 HG12 ILE 59 HG12 ILE 59 -1.265 1.387 -10.320 407 HG13 ILE 59 HG13 ILE 59 -1.607 1.093 -12.022 408 HG21 ILE 59 HG21 ILE 59 2.166 1.444 -10.387 409 HG22 ILE 59 HG22 ILE 59 0.675 1.439 -9.446 410 HG23 ILE 59 HG23 ILE 59 1.485 -0.081 -9.821 411 HD11 ILE 59 HD11 ILE 59 -0.725 -1.329 -10.787 412 HD12 ILE 59 HD12 ILE 59 -2.046 -0.622 -9.856 413 HD13 ILE 59 HD13 ILE 59 -2.261 -0.966 -11.572 414 H ARG 60 H ARG 60 2.102 0.628 -14.078 415 HA ARG 60 HA ARG 60 0.760 1.318 -16.464 416 HB2 ARG 60 HB2 ARG 60 2.910 0.574 -16.855 417 HB3 ARG 60 HB3 ARG 60 2.783 -0.735 -15.687 418 HG2 ARG 60 HG2 ARG 60 2.897 -1.654 -17.898 419 HG3 ARG 60 HG3 ARG 60 1.282 -1.928 -17.244 420 HD2 ARG 60 HD2 ARG 60 0.297 -0.451 -18.688 421 HD3 ARG 60 HD3 ARG 60 1.751 0.533 -18.843 422 HE ARG 60 HE ARG 60 2.439 -1.794 -20.044 423 HH11 ARG 60 HH11 ARG 60 -0.240 0.399 -20.412 424 HH12 ARG 60 HH12 ARG 60 -0.462 0.052 -22.095 425 HH21 ARG 60 HH21 ARG 60 2.158 -2.258 -22.260 426 HH22 ARG 60 HH22 ARG 60 0.902 -1.460 -23.145 427 H ILE 61 H ILE 61 -0.965 0.469 -17.468 428 HA ILE 61 HA ILE 61 -2.118 -2.012 -16.374 429 HB ILE 61 HB ILE 61 -4.338 -0.832 -17.262 430 HG12 ILE 61 HG12 ILE 61 -2.689 1.487 -16.238 431 HG13 ILE 61 HG13 ILE 61 -3.049 1.210 -17.939 432 HG21 ILE 61 HG21 ILE 61 -3.487 0.119 -14.591 433 HG22 ILE 61 HG22 ILE 61 -4.953 -0.729 -15.080 434 HG23 ILE 61 HG23 ILE 61 -3.446 -1.620 -14.879 435 HD11 ILE 61 HD11 ILE 61 -5.043 2.154 -17.746 436 HD12 ILE 61 HD12 ILE 61 -5.445 1.185 -16.328 437 HD13 ILE 61 HD13 ILE 61 -4.541 2.688 -16.142 438 HA PRO 62 HA PRO 62 -2.383 -3.584 -20.462 439 HB2 PRO 62 HB2 PRO 62 -4.757 -4.900 -20.430 440 HB3 PRO 62 HB3 PRO 62 -3.326 -5.480 -19.571 441 HG2 PRO 62 HG2 PRO 62 -5.685 -3.970 -18.516 442 HG3 PRO 62 HG3 PRO 62 -4.834 -5.354 -17.805 443 HD2 PRO 62 HD2 PRO 62 -4.412 -2.808 -16.986 444 HD3 PRO 62 HD3 PRO 62 -3.134 -4.041 -16.969 445 H GLY 63 H GLY 63 -2.769 -1.075 -20.905 446 HA2 GLY 63 HA2 GLY 63 -5.201 -0.956 -22.564 447 HA3 GLY 63 HA3 GLY 63 -4.803 0.381 -21.494 448 H LYS 64 H LYS 64 -5.006 1.389 -23.759 449 HA LYS 64 HA LYS 64 -2.670 1.066 -25.439 450 HB2 LYS 64 HB2 LYS 64 -3.738 2.579 -26.950 451 HB3 LYS 64 HB3 LYS 64 -4.973 1.482 -26.348 452 HG2 LYS 64 HG2 LYS 64 -5.862 3.145 -24.901 453 HG3 LYS 64 HG3 LYS 64 -4.499 4.224 -25.208 454 HD2 LYS 64 HD2 LYS 64 -5.187 4.407 -27.557 455 HD3 LYS 64 HD3 LYS 64 -6.559 3.345 -27.233 456 HE2 LYS 64 HE2 LYS 64 -7.076 5.123 -25.368 457 HE3 LYS 64 HE3 LYS 64 -6.093 6.168 -26.392 458 HZ1 LYS 64 HZ1 LYS 64 -7.928 4.778 -28.001 459 HZ2 LYS 64 HZ2 LYS 64 -7.815 6.444 -27.730 460 HZ3 LYS 64 HZ3 LYS 64 -8.774 5.485 -26.718 461 H CYS 65 H CYS 65 -1.040 2.550 -25.744 462 HA CYS 65 HA CYS 65 -0.701 4.483 -23.581 463 HB2 CYS 65 HB2 CYS 65 1.218 3.154 -23.799 464 HB3 CYS 65 HB3 CYS 65 1.167 3.205 -25.558 465 H HIS 66 H HIS 66 0.224 6.618 -24.091 466 HA HIS 66 HA HIS 66 -1.294 8.284 -25.494 467 HB2 HIS 66 HB2 HIS 66 0.585 9.807 -25.744 468 HB3 HIS 66 HB3 HIS 66 0.690 8.985 -24.189 469 HD1 HIS 66 HD1 HIS 66 2.038 8.281 -27.689 470 HD2 HIS 66 HD2 HIS 66 3.232 8.242 -23.709 471 HE1 HIS 66 HE1 HIS 66 4.447 7.562 -27.717 Start of MODEL 4 1 H ALA 1 H ALA 1 2.664 -0.160 1.363 2 HA ALA 1 HA ALA 1 1.422 0.515 -1.132 3 HB1 ALA 1 HB1 ALA 1 3.859 1.058 0.053 4 HB2 ALA 1 HB2 ALA 1 4.271 -0.012 -1.288 5 HB3 ALA 1 HB3 ALA 1 3.378 1.478 -1.591 6 H ARG 2 H ARG 2 2.893 -0.550 -3.099 7 HA ARG 2 HA ARG 2 3.040 -3.429 -2.826 8 HB2 ARG 2 HB2 ARG 2 1.477 -3.835 -4.714 9 HB3 ARG 2 HB3 ARG 2 0.685 -3.184 -3.286 10 HG2 ARG 2 HG2 ARG 2 0.543 -1.009 -4.278 11 HG3 ARG 2 HG3 ARG 2 1.519 -1.526 -5.654 12 HD2 ARG 2 HD2 ARG 2 -0.294 -3.252 -6.095 13 HD3 ARG 2 HD3 ARG 2 -1.276 -2.365 -4.930 14 HE ARG 2 HE ARG 2 -0.266 -0.592 -6.877 15 HH11 ARG 2 HH11 ARG 2 -2.600 -3.145 -6.477 16 HH12 ARG 2 HH12 ARG 2 -3.655 -2.552 -7.717 17 HH21 ARG 2 HH21 ARG 2 -1.646 0.198 -8.512 18 HH22 ARG 2 HH22 ARG 2 -3.111 -0.651 -8.875 19 H ASP 3 H ASP 3 3.798 -4.460 -4.870 20 HA ASP 3 HA ASP 3 5.692 -2.666 -6.208 21 HB2 ASP 3 HB2 ASP 3 5.625 -5.675 -5.930 22 HB3 ASP 3 HB3 ASP 3 6.803 -4.811 -6.915 23 H ALA 4 H ALA 4 5.748 -2.402 -8.394 24 HA ALA 4 HA ALA 4 4.446 -4.049 -10.271 25 HB1 ALA 4 HB1 ALA 4 2.361 -3.316 -9.482 26 HB2 ALA 4 HB2 ALA 4 2.908 -1.646 -9.330 27 HB3 ALA 4 HB3 ALA 4 2.663 -2.352 -10.928 28 H TYR 5 H TYR 5 4.089 -2.700 -12.418 29 HA TYR 5 HA TYR 5 6.631 -1.409 -12.921 30 HB2 TYR 5 HB2 TYR 5 4.401 -1.820 -14.909 31 HB3 TYR 5 HB3 TYR 5 6.119 -1.623 -15.232 32 HD1 TYR 5 HD1 TYR 5 3.512 -3.950 -14.127 33 HD2 TYR 5 HD2 TYR 5 7.656 -3.479 -14.966 34 HE1 TYR 5 HE1 TYR 5 3.784 -6.394 -14.123 35 HE2 TYR 5 HE2 TYR 5 7.940 -5.922 -14.966 36 HH TYR 5 HH TYR 5 5.521 -8.053 -13.826 37 H ILE 6 H ILE 6 6.977 0.711 -13.186 38 HA ILE 6 HA ILE 6 4.938 2.577 -12.486 39 HB ILE 6 HB ILE 6 7.150 3.138 -11.837 40 HG12 ILE 6 HG12 ILE 6 6.563 4.914 -14.210 41 HG13 ILE 6 HG13 ILE 6 5.664 4.992 -12.699 42 HG21 ILE 6 HG21 ILE 6 7.824 2.550 -14.686 43 HG22 ILE 6 HG22 ILE 6 8.846 3.638 -13.749 44 HG23 ILE 6 HG23 ILE 6 8.598 1.978 -13.209 45 HD11 ILE 6 HD11 ILE 6 7.885 6.452 -13.308 46 HD12 ILE 6 HD12 ILE 6 7.268 6.154 -11.683 47 HD13 ILE 6 HD13 ILE 6 8.551 5.137 -12.339 48 H ALA 7 H ALA 7 3.708 3.875 -13.735 49 HA ALA 7 HA ALA 7 3.837 3.437 -16.634 50 HB1 ALA 7 HB1 ALA 7 1.696 3.526 -14.801 51 HB2 ALA 7 HB2 ALA 7 1.530 4.928 -15.859 52 HB3 ALA 7 HB3 ALA 7 1.625 3.309 -16.550 53 H LYS 8 H LYS 8 3.655 5.203 -18.090 54 HA LYS 8 HA LYS 8 4.520 7.778 -16.944 55 HB2 LYS 8 HB2 LYS 8 5.238 7.672 -19.678 56 HB3 LYS 8 HB3 LYS 8 6.304 7.688 -18.279 57 HG2 LYS 8 HG2 LYS 8 5.919 5.160 -18.191 58 HG3 LYS 8 HG3 LYS 8 5.274 5.337 -19.824 59 HD2 LYS 8 HD2 LYS 8 8.016 6.238 -18.942 60 HD3 LYS 8 HD3 LYS 8 7.673 4.726 -19.786 61 HE2 LYS 8 HE2 LYS 8 6.767 7.325 -20.951 62 HE3 LYS 8 HE3 LYS 8 8.449 6.826 -21.124 63 HZ1 LYS 8 HZ1 LYS 8 7.800 5.614 -22.844 64 HZ2 LYS 8 HZ2 LYS 8 6.166 5.925 -22.540 65 HZ3 LYS 8 HZ3 LYS 8 6.932 4.620 -21.785 66 HA PRO 9 HA PRO 9 1.288 9.928 -18.996 67 HB2 PRO 9 HB2 PRO 9 2.511 11.972 -20.298 68 HB3 PRO 9 HB3 PRO 9 2.354 11.911 -18.539 69 HG2 PRO 9 HG2 PRO 9 4.700 11.197 -20.257 70 HG3 PRO 9 HG3 PRO 9 4.663 12.103 -18.733 71 HD2 PRO 9 HD2 PRO 9 5.360 9.490 -18.857 72 HD3 PRO 9 HD3 PRO 9 4.531 10.191 -17.453 73 H HIS 10 H HIS 10 0.825 8.590 -22.174 74 HA HIS 10 HA HIS 10 0.471 8.692 -19.257 75 HB2 HIS 10 HB2 HIS 10 -1.396 9.598 -21.386 76 HB3 HIS 10 HB3 HIS 10 -2.097 8.745 -20.014 77 HD1 HIS 10 HD1 HIS 10 -2.564 10.118 -17.995 78 HD2 HIS 10 HD2 HIS 10 0.140 11.965 -20.552 79 HE1 HIS 10 HE1 HIS 10 -2.174 12.404 -17.023 80 H ASN 11 H ASN 11 0.351 6.714 -18.447 81 HA ASN 11 HA ASN 11 -0.237 4.525 -18.164 82 HB2 ASN 11 HB2 ASN 11 -2.406 5.328 -19.305 83 HB3 ASN 11 HB3 ASN 11 -1.751 4.592 -20.765 84 HD21 ASN 11 HD21 ASN 11 -2.764 2.754 -21.098 85 HD22 ASN 11 HD22 ASN 11 -3.093 1.544 -19.909 86 H CYS 12 H CYS 12 2.078 5.476 -19.706 87 HA CYS 12 HA CYS 12 2.482 3.306 -21.630 88 HB2 CYS 12 HB2 CYS 12 3.726 5.968 -21.166 89 HB3 CYS 12 HB3 CYS 12 4.759 4.702 -21.823 90 H VAL 13 H VAL 13 4.726 2.317 -21.619 91 HA VAL 13 HA VAL 13 5.332 1.476 -18.879 92 HB VAL 13 HB VAL 13 6.028 -0.540 -19.686 93 HG11 VAL 13 HG11 VAL 13 4.512 0.014 -22.181 94 HG12 VAL 13 HG12 VAL 13 4.388 -1.341 -21.057 95 HG13 VAL 13 HG13 VAL 13 3.681 0.220 -20.640 96 HG21 VAL 13 HG21 VAL 13 6.919 0.955 -22.132 97 HG22 VAL 13 HG22 VAL 13 7.899 0.075 -20.960 98 HG23 VAL 13 HG23 VAL 13 6.868 -0.807 -22.086 99 H TYR 14 H TYR 14 7.364 1.605 -17.992 100 HA TYR 14 HA TYR 14 9.174 3.494 -19.288 101 HB2 TYR 14 HB2 TYR 14 8.693 2.605 -16.491 102 HB3 TYR 14 HB3 TYR 14 10.325 3.120 -16.902 103 HD1 TYR 14 HD1 TYR 14 6.911 4.181 -16.283 104 HD2 TYR 14 HD2 TYR 14 10.727 5.440 -17.683 105 HE1 TYR 14 HE1 TYR 14 6.232 6.528 -16.005 106 HE2 TYR 14 HE2 TYR 14 10.059 7.791 -17.408 107 HH TYR 14 HH TYR 14 8.406 9.188 -16.904 108 H GLU 15 H GLU 15 10.292 2.318 -20.794 109 HA GLU 15 HA GLU 15 11.339 -0.269 -20.375 110 HB2 GLU 15 HB2 GLU 15 12.388 -0.040 -22.457 111 HB3 GLU 15 HB3 GLU 15 10.955 0.971 -22.590 112 HG2 GLU 15 HG2 GLU 15 12.598 2.852 -21.787 113 HG3 GLU 15 HG3 GLU 15 13.819 1.750 -22.422 114 H CYS 16 H CYS 16 13.229 -0.984 -19.559 115 HA CYS 16 HA CYS 16 15.010 1.031 -18.371 116 HB2 CYS 16 HB2 CYS 16 15.825 -1.202 -17.165 117 HB3 CYS 16 HB3 CYS 16 14.443 -0.279 -16.583 118 H TYR 17 H TYR 17 17.075 1.207 -18.999 119 HA TYR 17 HA TYR 17 18.031 -0.671 -21.047 120 HB2 TYR 17 HB2 TYR 17 17.869 1.998 -21.252 121 HB3 TYR 17 HB3 TYR 17 19.473 1.877 -20.538 122 HD1 TYR 17 HD1 TYR 17 18.977 3.014 -23.242 123 HD2 TYR 17 HD2 TYR 17 19.764 -0.984 -22.018 124 HE1 TYR 17 HE1 TYR 17 19.923 2.528 -25.460 125 HE2 TYR 17 HE2 TYR 17 20.713 -1.481 -24.232 126 HH TYR 17 HH TYR 17 21.316 -0.650 -26.206 127 H ASN 18 H ASN 18 18.923 0.917 -18.028 128 HA ASN 18 HA ASN 18 21.315 -0.785 -17.867 129 HB2 ASN 18 HB2 ASN 18 21.288 1.848 -17.568 130 HB3 ASN 18 HB3 ASN 18 20.813 1.428 -15.925 131 HD21 ASN 18 HD21 ASN 18 23.118 2.759 -16.298 132 HD22 ASN 18 HD22 ASN 18 24.472 1.727 -16.005 133 HA PRO 19 HA PRO 19 18.392 -2.846 -14.979 134 HB2 PRO 19 HB2 PRO 19 19.362 -5.338 -15.448 135 HB3 PRO 19 HB3 PRO 19 18.139 -4.575 -16.472 136 HG2 PRO 19 HG2 PRO 19 21.092 -4.809 -16.902 137 HG3 PRO 19 HG3 PRO 19 19.771 -5.034 -18.063 138 HD2 PRO 19 HD2 PRO 19 21.228 -2.754 -17.938 139 HD3 PRO 19 HD3 PRO 19 19.514 -2.768 -18.401 140 H LYS 20 H LYS 20 21.871 -3.009 -15.376 141 HA LYS 20 HA LYS 20 22.221 -4.017 -12.656 142 HB2 LYS 20 HB2 LYS 20 23.944 -3.785 -15.066 143 HB3 LYS 20 HB3 LYS 20 24.741 -3.674 -13.502 144 HG2 LYS 20 HG2 LYS 20 22.858 -5.922 -14.073 145 HG3 LYS 20 HG3 LYS 20 24.521 -5.973 -14.662 146 HD2 LYS 20 HD2 LYS 20 25.073 -5.330 -12.170 147 HD3 LYS 20 HD3 LYS 20 23.486 -6.040 -11.866 148 HE2 LYS 20 HE2 LYS 20 24.158 -8.134 -12.758 149 HE3 LYS 20 HE3 LYS 20 25.640 -7.450 -13.425 150 HZ1 LYS 20 HZ1 LYS 20 26.622 -7.339 -11.355 151 HZ2 LYS 20 HZ2 LYS 20 25.754 -8.786 -11.248 152 HZ3 LYS 20 HZ3 LYS 20 25.151 -7.383 -10.520 153 H GLY 21 H GLY 21 21.214 -1.275 -13.349 154 HA2 GLY 21 HA2 GLY 21 23.189 0.200 -11.730 155 HA3 GLY 21 HA3 GLY 21 22.507 0.925 -13.178 156 H SER 22 H SER 22 22.048 2.531 -11.319 157 HA SER 22 HA SER 22 19.632 1.833 -9.832 158 HB2 SER 22 HB2 SER 22 19.997 3.935 -8.627 159 HB3 SER 22 HB3 SER 22 21.468 2.962 -8.628 160 HG SER 22 HG SER 22 22.334 4.290 -10.181 161 H TYR 23 H TYR 23 19.651 2.244 -12.759 162 HA TYR 23 HA TYR 23 18.531 4.740 -13.427 163 HB2 TYR 23 HB2 TYR 23 19.457 3.281 -15.134 164 HB3 TYR 23 HB3 TYR 23 18.251 2.049 -14.780 165 HD1 TYR 23 HD1 TYR 23 17.414 5.623 -14.891 166 HD2 TYR 23 HD2 TYR 23 17.413 1.951 -17.040 167 HE1 TYR 23 HE1 TYR 23 15.916 6.614 -16.572 168 HE2 TYR 23 HE2 TYR 23 15.916 2.932 -18.727 169 HH TYR 23 HH TYR 23 15.477 5.542 -19.503 170 H CYS 24 H CYS 24 16.816 1.614 -13.361 171 HA CYS 24 HA CYS 24 14.252 2.785 -13.245 172 HB2 CYS 24 HB2 CYS 24 14.594 0.514 -14.074 173 HB3 CYS 24 HB3 CYS 24 15.148 -0.003 -12.485 174 H ASN 25 H ASN 25 16.491 1.695 -10.770 175 HA ASN 25 HA ASN 25 14.780 1.670 -8.568 176 HB2 ASN 25 HB2 ASN 25 17.339 1.039 -8.852 177 HB3 ASN 25 HB3 ASN 25 17.574 2.672 -8.235 178 HD21 ASN 25 HD21 ASN 25 17.163 3.112 -6.122 179 HD22 ASN 25 HD22 ASN 25 16.749 1.905 -4.957 180 H ASP 26 H ASP 26 17.030 4.292 -9.466 181 HA ASP 26 HA ASP 26 16.083 6.195 -7.684 182 HB2 ASP 26 HB2 ASP 26 17.388 6.485 -10.388 183 HB3 ASP 26 HB3 ASP 26 17.008 7.871 -9.368 184 H LEU 27 H LEU 27 15.142 5.703 -11.082 185 HA LEU 27 HA LEU 27 13.239 7.747 -11.219 186 HB2 LEU 27 HB2 LEU 27 13.693 6.965 -13.296 187 HB3 LEU 27 HB3 LEU 27 13.849 5.296 -12.750 188 HG LEU 27 HG LEU 27 11.423 5.069 -12.708 189 HD11 LEU 27 HD11 LEU 27 9.945 6.755 -12.980 190 HD12 LEU 27 HD12 LEU 27 10.983 7.635 -14.102 191 HD13 LEU 27 HD13 LEU 27 11.288 7.721 -12.367 192 HD21 LEU 27 HD21 LEU 27 13.011 5.091 -14.907 193 HD22 LEU 27 HD22 LEU 27 11.761 6.242 -15.380 194 HD23 LEU 27 HD23 LEU 27 11.316 4.602 -14.903 195 H CYS 28 H CYS 28 12.973 4.406 -10.133 196 HA CYS 28 HA CYS 28 10.161 4.328 -9.903 197 HB2 CYS 28 HB2 CYS 28 12.433 2.709 -8.862 198 HB3 CYS 28 HB3 CYS 28 10.872 2.523 -8.069 199 H THR 29 H THR 29 12.658 4.791 -7.399 200 HA THR 29 HA THR 29 10.853 5.373 -5.316 201 HB THR 29 HB THR 29 12.680 5.775 -3.986 202 HG1 THR 29 HG1 THR 29 14.320 6.658 -6.113 203 HG21 THR 29 HG21 THR 29 13.009 3.771 -5.846 204 HG22 THR 29 HG22 THR 29 13.978 3.992 -4.389 205 HG23 THR 29 HG23 THR 29 14.539 4.643 -5.929 206 H GLU 30 H GLU 30 12.375 7.375 -7.756 207 HA GLU 30 HA GLU 30 11.983 9.900 -6.666 208 HB2 GLU 30 HB2 GLU 30 12.247 8.818 -9.421 209 HB3 GLU 30 HB3 GLU 30 11.616 10.450 -9.260 210 HG2 GLU 30 HG2 GLU 30 13.582 11.209 -8.194 211 HG3 GLU 30 HG3 GLU 30 14.176 9.565 -7.966 212 H ASN 31 H ASN 31 9.684 7.642 -7.855 213 HA ASN 31 HA ASN 31 7.592 9.701 -7.956 214 HB2 ASN 31 HB2 ASN 31 7.616 6.851 -8.972 215 HB3 ASN 31 HB3 ASN 31 6.217 7.919 -9.043 216 HD21 ASN 31 HD21 ASN 31 9.680 8.110 -9.812 217 HD22 ASN 31 HD22 ASN 31 9.466 8.824 -11.371 218 H GLY 32 H GLY 32 8.846 8.426 -5.522 219 HA2 GLY 32 HA2 GLY 32 7.955 8.097 -3.398 220 HA3 GLY 32 HA3 GLY 32 6.354 7.988 -4.115 221 H ALA 33 H ALA 33 9.418 6.182 -3.947 222 HA ALA 33 HA ALA 33 7.933 3.766 -3.310 223 HB1 ALA 33 HB1 ALA 33 8.713 4.259 -5.952 224 HB2 ALA 33 HB2 ALA 33 9.864 3.079 -5.325 225 HB3 ALA 33 HB3 ALA 33 8.134 2.740 -5.268 226 H GLU 34 H GLU 34 9.318 2.019 -2.567 227 HA GLU 34 HA GLU 34 11.467 2.999 -0.958 228 HB2 GLU 34 HB2 GLU 34 9.785 1.044 -0.514 229 HB3 GLU 34 HB3 GLU 34 10.958 0.080 -1.401 230 HG2 GLU 34 HG2 GLU 34 11.575 1.711 1.051 231 HG3 GLU 34 HG3 GLU 34 11.256 -0.022 1.041 232 H SER 35 H SER 35 11.228 0.998 -3.859 233 HA SER 35 HA SER 35 13.881 1.707 -4.666 234 HB2 SER 35 HB2 SER 35 13.329 -1.127 -3.768 235 HB3 SER 35 HB3 SER 35 14.706 -0.672 -4.771 236 HG SER 35 HG SER 35 15.098 0.916 -2.967 237 H GLY 36 H GLY 36 14.470 0.024 -6.607 238 HA2 GLY 36 HA2 GLY 36 12.302 -0.995 -8.116 239 HA3 GLY 36 HA3 GLY 36 12.699 0.625 -8.671 240 H TYR 37 H TYR 37 12.903 -1.713 -10.249 241 HA TYR 37 HA TYR 37 15.606 -1.427 -11.158 242 HB2 TYR 37 HB2 TYR 37 16.435 -3.588 -10.769 243 HB3 TYR 37 HB3 TYR 37 15.675 -3.147 -9.244 244 HD1 TYR 37 HD1 TYR 37 16.313 -5.964 -10.237 245 HD2 TYR 37 HD2 TYR 37 12.795 -3.583 -10.466 246 HE1 TYR 37 HE1 TYR 37 14.945 -8.006 -10.334 247 HE2 TYR 37 HE2 TYR 37 11.416 -5.618 -10.563 248 HH TYR 37 HH TYR 37 11.537 -7.952 -9.981 249 H CYS 38 H CYS 38 16.008 -3.006 -13.045 250 HA CYS 38 HA CYS 38 13.817 -2.719 -14.865 251 HB2 CYS 38 HB2 CYS 38 16.172 -2.454 -15.569 252 HB3 CYS 38 HB3 CYS 38 16.453 -4.160 -15.234 253 H GLN 39 H GLN 39 12.275 -4.139 -15.347 254 HA GLN 39 HA GLN 39 12.517 -6.863 -14.273 255 HB2 GLN 39 HB2 GLN 39 10.548 -5.142 -13.775 256 HB3 GLN 39 HB3 GLN 39 9.919 -5.808 -15.276 257 HG2 GLN 39 HG2 GLN 39 10.373 -7.151 -12.653 258 HG3 GLN 39 HG3 GLN 39 8.940 -7.148 -13.680 259 HE21 GLN 39 HE21 GLN 39 12.174 -8.435 -13.289 260 HE22 GLN 39 HE22 GLN 39 11.949 -9.823 -14.292 261 H ILE 40 H ILE 40 12.946 -8.432 -15.663 262 HA ILE 40 HA ILE 40 12.619 -7.982 -18.515 263 HB ILE 40 HB ILE 40 13.572 -10.604 -17.505 264 HG12 ILE 40 HG12 ILE 40 14.668 -9.161 -15.918 265 HG13 ILE 40 HG13 ILE 40 15.853 -9.640 -17.128 266 HG21 ILE 40 HG21 ILE 40 15.239 -9.198 -19.397 267 HG22 ILE 40 HG22 ILE 40 14.402 -10.741 -19.563 268 HG23 ILE 40 HG23 ILE 40 13.557 -9.237 -19.926 269 HD11 ILE 40 HD11 ILE 40 14.357 -7.056 -17.343 270 HD12 ILE 40 HD12 ILE 40 15.825 -7.207 -16.376 271 HD13 ILE 40 HD13 ILE 40 15.874 -7.528 -18.109 272 H LEU 41 H LEU 41 11.407 -10.158 -16.005 273 HA LEU 41 HA LEU 41 9.788 -11.687 -17.805 274 HB2 LEU 41 HB2 LEU 41 10.113 -11.519 -14.845 275 HB3 LEU 41 HB3 LEU 41 8.698 -12.334 -15.507 276 HG LEU 41 HG LEU 41 10.309 -14.006 -15.029 277 HD11 LEU 41 HD11 LEU 41 10.179 -15.119 -16.983 278 HD12 LEU 41 HD12 LEU 41 10.898 -13.801 -17.908 279 HD13 LEU 41 HD13 LEU 41 9.193 -13.738 -17.464 280 HD21 LEU 41 HD21 LEU 41 12.206 -12.048 -16.204 281 HD22 LEU 41 HD22 LEU 41 12.563 -13.764 -16.401 282 HD23 LEU 41 HD23 LEU 41 12.377 -13.081 -14.785 283 H GLY 42 H GLY 42 9.203 -9.102 -18.356 284 HA2 GLY 42 HA2 GLY 42 6.716 -8.449 -16.948 285 HA3 GLY 42 HA3 GLY 42 7.580 -7.399 -18.062 286 H LYS 43 H LYS 43 4.733 -8.575 -17.826 287 HA LYS 43 HA LYS 43 4.184 -10.269 -19.949 288 HB2 LYS 43 HB2 LYS 43 2.462 -7.991 -18.951 289 HB3 LYS 43 HB3 LYS 43 1.906 -9.371 -19.889 290 HG2 LYS 43 HG2 LYS 43 2.124 -10.835 -18.115 291 HG3 LYS 43 HG3 LYS 43 3.274 -9.797 -17.268 292 HD2 LYS 43 HD2 LYS 43 1.485 -8.191 -16.810 293 HD3 LYS 43 HD3 LYS 43 0.336 -9.223 -17.664 294 HE2 LYS 43 HE2 LYS 43 1.933 -10.294 -15.369 295 HE3 LYS 43 HE3 LYS 43 0.478 -9.343 -15.078 296 HZ1 LYS 43 HZ1 LYS 43 -0.398 -11.085 -16.899 297 HZ2 LYS 43 HZ2 LYS 43 -0.515 -11.335 -15.230 298 HZ3 LYS 43 HZ3 LYS 43 0.751 -12.039 -16.104 299 H TYR 44 H TYR 44 5.054 -6.922 -19.971 300 HA TYR 44 HA TYR 44 4.484 -6.781 -22.858 301 HB2 TYR 44 HB2 TYR 44 5.103 -4.324 -21.286 302 HB3 TYR 44 HB3 TYR 44 4.039 -4.531 -22.673 303 HD1 TYR 44 HD1 TYR 44 1.742 -5.293 -22.378 304 HD2 TYR 44 HD2 TYR 44 4.309 -4.725 -19.033 305 HE1 TYR 44 HE1 TYR 44 -0.206 -5.361 -20.879 306 HE2 TYR 44 HE2 TYR 44 2.368 -4.794 -17.524 307 HH TYR 44 HH TYR 44 -0.448 -4.227 -18.124 308 H GLY 45 H GLY 45 6.852 -7.940 -21.423 309 HA2 GLY 45 HA2 GLY 45 9.028 -8.146 -22.318 310 HA3 GLY 45 HA3 GLY 45 8.868 -6.541 -23.015 311 H ASN 46 H ASN 46 10.537 -5.425 -22.207 312 HA ASN 46 HA ASN 46 11.268 -5.717 -19.404 313 HB2 ASN 46 HB2 ASN 46 12.537 -4.474 -21.809 314 HB3 ASN 46 HB3 ASN 46 13.024 -3.913 -20.213 315 HD21 ASN 46 HD21 ASN 46 13.436 -5.811 -18.647 316 HD22 ASN 46 HD22 ASN 46 14.424 -7.081 -19.277 317 H ALA 47 H ALA 47 10.198 -4.552 -17.955 318 HA ALA 47 HA ALA 47 9.647 -1.727 -18.560 319 HB1 ALA 47 HB1 ALA 47 7.483 -2.340 -18.703 320 HB2 ALA 47 HB2 ALA 47 7.733 -3.832 -17.795 321 HB3 ALA 47 HB3 ALA 47 7.570 -2.297 -16.942 322 H CYS 48 H CYS 48 9.892 -0.302 -16.871 323 HA CYS 48 HA CYS 48 11.646 -1.043 -14.789 324 HB2 CYS 48 HB2 CYS 48 11.585 1.230 -15.690 325 HB3 CYS 48 HB3 CYS 48 9.943 1.440 -15.090 326 H TRP 49 H TRP 49 11.049 -2.391 -13.215 327 HA TRP 49 HA TRP 49 8.353 -2.221 -12.101 328 HB2 TRP 49 HB2 TRP 49 9.082 -4.450 -12.656 329 HB3 TRP 49 HB3 TRP 49 10.571 -4.243 -11.737 330 HD1 TRP 49 HD1 TRP 49 10.316 -4.198 -9.016 331 HE1 TRP 49 HE1 TRP 49 8.570 -5.320 -7.494 332 HE3 TRP 49 HE3 TRP 49 6.692 -5.142 -12.496 333 HZ2 TRP 49 HZ2 TRP 49 5.996 -6.455 -7.736 334 HZ3 TRP 49 HZ3 TRP 49 4.618 -6.249 -11.769 335 HH2 TRP 49 HH2 TRP 49 4.280 -6.892 -9.438 336 H CYS 50 H CYS 50 7.978 -1.043 -10.354 337 HA CYS 50 HA CYS 50 10.221 -0.257 -8.648 338 HB2 CYS 50 HB2 CYS 50 7.380 0.775 -8.602 339 HB3 CYS 50 HB3 CYS 50 8.780 1.489 -7.809 340 H ILE 51 H ILE 51 10.319 -0.685 -6.477 341 HA ILE 51 HA ILE 51 8.433 -2.717 -5.501 342 HB ILE 51 HB ILE 51 11.248 -2.066 -4.635 343 HG12 ILE 51 HG12 ILE 51 11.422 -4.602 -5.236 344 HG13 ILE 51 HG13 ILE 51 9.944 -4.309 -6.146 345 HG21 ILE 51 HG21 ILE 51 9.108 -3.246 -3.134 346 HG22 ILE 51 HG22 ILE 51 10.386 -4.431 -3.399 347 HG23 ILE 51 HG23 ILE 51 10.759 -2.888 -2.631 348 HD11 ILE 51 HD11 ILE 51 12.630 -3.026 -6.548 349 HD12 ILE 51 HD12 ILE 51 11.768 -4.107 -7.643 350 HD13 ILE 51 HD13 ILE 51 11.154 -2.481 -7.345 351 H GLN 52 H GLN 52 7.237 -2.397 -3.704 352 HA GLN 52 HA GLN 52 6.274 -1.364 -1.919 353 HB2 GLN 52 HB2 GLN 52 9.062 -0.341 -1.818 354 HB3 GLN 52 HB3 GLN 52 7.857 0.523 -0.874 355 HG2 GLN 52 HG2 GLN 52 8.001 -2.438 -0.643 356 HG3 GLN 52 HG3 GLN 52 9.230 -1.457 0.153 357 HE21 GLN 52 HE21 GLN 52 5.836 -2.236 0.001 358 HE22 GLN 52 HE22 GLN 52 5.411 -1.571 1.538 359 H LEU 53 H LEU 53 5.887 -0.392 -4.602 360 HA LEU 53 HA LEU 53 5.749 2.497 -4.401 361 HB2 LEU 53 HB2 LEU 53 6.258 1.061 -6.501 362 HB3 LEU 53 HB3 LEU 53 4.507 0.881 -6.592 363 HG LEU 53 HG LEU 53 4.324 3.365 -6.704 364 HD11 LEU 53 HD11 LEU 53 6.468 3.892 -5.638 365 HD12 LEU 53 HD12 LEU 53 6.305 4.670 -7.212 366 HD13 LEU 53 HD13 LEU 53 7.318 3.237 -7.038 367 HD21 LEU 53 HD21 LEU 53 4.591 1.658 -8.685 368 HD22 LEU 53 HD22 LEU 53 6.108 2.523 -8.935 369 HD23 LEU 53 HD23 LEU 53 4.576 3.397 -8.980 370 HA PRO 54 HA PRO 54 1.674 2.517 -2.678 371 HB2 PRO 54 HB2 PRO 54 1.137 5.145 -3.097 372 HB3 PRO 54 HB3 PRO 54 2.222 4.578 -1.823 373 HG2 PRO 54 HG2 PRO 54 2.887 5.670 -4.530 374 HG3 PRO 54 HG3 PRO 54 3.654 6.009 -2.968 375 HD2 PRO 54 HD2 PRO 54 4.718 4.292 -4.771 376 HD3 PRO 54 HD3 PRO 54 4.904 4.073 -3.019 377 H ASP 55 H ASP 55 -0.467 2.558 -3.358 378 HA ASP 55 HA ASP 55 -0.946 2.036 -6.091 379 HB2 ASP 55 HB2 ASP 55 -2.811 2.576 -3.779 380 HB3 ASP 55 HB3 ASP 55 -3.382 2.164 -5.393 381 H ASN 56 H ASN 56 -0.402 4.926 -4.566 382 HA ASN 56 HA ASN 56 -2.298 6.578 -5.930 383 HB2 ASN 56 HB2 ASN 56 0.235 7.183 -4.403 384 HB3 ASN 56 HB3 ASN 56 -0.745 8.439 -5.153 385 HD21 ASN 56 HD21 ASN 56 -0.242 8.377 -2.440 386 HD22 ASN 56 HD22 ASN 56 -1.716 8.052 -1.599 387 H VAL 57 H VAL 57 0.826 5.279 -6.666 388 HA VAL 57 HA VAL 57 1.332 7.130 -8.835 389 HB VAL 57 HB VAL 57 2.872 4.595 -8.574 390 HG11 VAL 57 HG11 VAL 57 4.745 6.291 -8.947 391 HG12 VAL 57 HG12 VAL 57 3.622 6.019 -10.281 392 HG13 VAL 57 HG13 VAL 57 3.462 7.456 -9.270 393 HG21 VAL 57 HG21 VAL 57 2.564 6.586 -6.435 394 HG22 VAL 57 HG22 VAL 57 3.117 4.913 -6.359 395 HG23 VAL 57 HG23 VAL 57 4.232 6.188 -6.851 396 HA PRO 58 HA PRO 58 -0.873 4.836 -11.896 397 HB2 PRO 58 HB2 PRO 58 0.282 5.934 -14.094 398 HB3 PRO 58 HB3 PRO 58 -0.907 6.790 -13.104 399 HG2 PRO 58 HG2 PRO 58 2.079 7.006 -13.088 400 HG3 PRO 58 HG3 PRO 58 0.864 8.294 -13.002 401 HD2 PRO 58 HD2 PRO 58 2.162 7.369 -10.814 402 HD3 PRO 58 HD3 PRO 58 0.491 7.966 -10.751 403 H ILE 59 H ILE 59 -0.540 2.806 -12.527 404 HA ILE 59 HA ILE 59 2.203 1.954 -13.162 405 HB ILE 59 HB ILE 59 1.197 -0.386 -12.846 406 HG12 ILE 59 HG12 ILE 59 -0.835 1.040 -11.156 407 HG13 ILE 59 HG13 ILE 59 -1.178 0.686 -12.845 408 HG21 ILE 59 HG21 ILE 59 1.944 -0.409 -10.684 409 HG22 ILE 59 HG22 ILE 59 2.625 1.122 -11.231 410 HG23 ILE 59 HG23 ILE 59 1.144 1.108 -10.274 411 HD11 ILE 59 HD11 ILE 59 -1.824 -1.341 -12.260 412 HD12 ILE 59 HD12 ILE 59 -0.195 -1.685 -11.679 413 HD13 ILE 59 HD13 ILE 59 -1.399 -1.012 -10.581 414 H ARG 60 H ARG 60 2.385 0.210 -14.812 415 HA ARG 60 HA ARG 60 1.057 1.023 -17.215 416 HB2 ARG 60 HB2 ARG 60 3.377 0.332 -17.306 417 HB3 ARG 60 HB3 ARG 60 2.968 -1.248 -16.650 418 HG2 ARG 60 HG2 ARG 60 3.390 -1.082 -19.153 419 HG3 ARG 60 HG3 ARG 60 1.935 -1.933 -18.628 420 HD2 ARG 60 HD2 ARG 60 0.563 -0.046 -19.142 421 HD3 ARG 60 HD3 ARG 60 1.975 0.968 -19.436 422 HE ARG 60 HE ARG 60 2.311 -0.945 -21.265 423 HH11 ARG 60 HH11 ARG 60 -0.497 0.919 -20.392 424 HH12 ARG 60 HH12 ARG 60 -1.185 0.869 -21.981 425 HH21 ARG 60 HH21 ARG 60 1.416 -1.017 -23.361 426 HH22 ARG 60 HH22 ARG 60 -0.097 -0.233 -23.669 427 H ILE 61 H ILE 61 -0.859 0.344 -17.884 428 HA ILE 61 HA ILE 61 -1.760 -2.346 -17.084 429 HB ILE 61 HB ILE 61 -4.113 -1.168 -17.503 430 HG12 ILE 61 HG12 ILE 61 -2.240 1.047 -16.675 431 HG13 ILE 61 HG13 ILE 61 -3.361 1.026 -18.032 432 HG21 ILE 61 HG21 ILE 61 -4.437 -1.273 -15.225 433 HG22 ILE 61 HG22 ILE 61 -3.018 -2.301 -15.425 434 HG23 ILE 61 HG23 ILE 61 -2.832 -0.641 -14.860 435 HD11 ILE 61 HD11 ILE 61 -4.151 1.052 -15.129 436 HD12 ILE 61 HD12 ILE 61 -4.132 2.452 -16.203 437 HD13 ILE 61 HD13 ILE 61 -5.241 1.117 -16.514 438 HA PRO 62 HA PRO 62 -2.500 -3.316 -21.299 439 HB2 PRO 62 HB2 PRO 62 -4.811 -4.736 -21.177 440 HB3 PRO 62 HB3 PRO 62 -3.264 -5.365 -20.596 441 HG2 PRO 62 HG2 PRO 62 -5.514 -4.141 -19.046 442 HG3 PRO 62 HG3 PRO 62 -4.538 -5.571 -18.662 443 HD2 PRO 62 HD2 PRO 62 -4.091 -3.155 -17.526 444 HD3 PRO 62 HD3 PRO 62 -2.786 -4.313 -17.851 445 H GLY 63 H GLY 63 -2.973 -0.832 -21.432 446 HA2 GLY 63 HA2 GLY 63 -5.571 -0.584 -22.768 447 HA3 GLY 63 HA3 GLY 63 -5.186 0.564 -21.494 448 H LYS 64 H LYS 64 -5.655 1.916 -23.550 449 HA LYS 64 HA LYS 64 -3.414 2.120 -25.374 450 HB2 LYS 64 HB2 LYS 64 -5.646 4.116 -25.238 451 HB3 LYS 64 HB3 LYS 64 -4.731 3.569 -26.637 452 HG2 LYS 64 HG2 LYS 64 -5.855 1.378 -26.473 453 HG3 LYS 64 HG3 LYS 64 -6.823 2.006 -25.137 454 HD2 LYS 64 HD2 LYS 64 -6.747 3.258 -27.877 455 HD3 LYS 64 HD3 LYS 64 -7.944 2.057 -27.385 456 HE2 LYS 64 HE2 LYS 64 -8.543 3.580 -25.483 457 HE3 LYS 64 HE3 LYS 64 -7.495 4.796 -26.211 458 HZ1 LYS 64 HZ1 LYS 64 -10.120 4.484 -26.751 459 HZ2 LYS 64 HZ2 LYS 64 -9.404 3.657 -28.041 460 HZ3 LYS 64 HZ3 LYS 64 -9.014 5.278 -27.755 461 H CYS 65 H CYS 65 -1.820 3.604 -25.327 462 HA CYS 65 HA CYS 65 -1.683 5.336 -22.978 463 HB2 CYS 65 HB2 CYS 65 0.226 3.839 -23.498 464 HB3 CYS 65 HB3 CYS 65 0.453 4.691 -25.022 465 H HIS 66 H HIS 66 -0.736 7.530 -23.271 466 HA HIS 66 HA HIS 66 -2.250 9.278 -24.593 467 HB2 HIS 66 HB2 HIS 66 -0.422 10.866 -24.594 468 HB3 HIS 66 HB3 HIS 66 -0.333 9.888 -23.132 469 HD1 HIS 66 HD1 HIS 66 2.176 11.302 -24.010 470 HD2 HIS 66 HD2 HIS 66 1.181 7.476 -25.287 471 HE1 HIS 66 HE1 HIS 66 4.347 10.239 -24.701 Start of MODEL 5 1 H ALA 1 H ALA 1 2.235 -0.301 1.016 2 HA ALA 1 HA ALA 1 1.481 0.515 -1.672 3 HB1 ALA 1 HB1 ALA 1 3.843 0.684 -0.067 4 HB2 ALA 1 HB2 ALA 1 4.221 -0.122 -1.590 5 HB3 ALA 1 HB3 ALA 1 3.478 1.478 -1.599 6 H ARG 2 H ARG 2 2.891 -0.713 -3.433 7 HA ARG 2 HA ARG 2 3.032 -3.569 -3.006 8 HB2 ARG 2 HB2 ARG 2 1.540 -3.850 -5.142 9 HB3 ARG 2 HB3 ARG 2 0.796 -3.694 -3.557 10 HG2 ARG 2 HG2 ARG 2 0.281 -1.390 -3.954 11 HG3 ARG 2 HG3 ARG 2 1.197 -1.401 -5.463 12 HD2 ARG 2 HD2 ARG 2 -0.477 -3.383 -6.019 13 HD3 ARG 2 HD3 ARG 2 -1.481 -2.530 -4.848 14 HE ARG 2 HE ARG 2 -1.745 -0.811 -6.358 15 HH11 ARG 2 HH11 ARG 2 0.721 -3.002 -7.472 16 HH12 ARG 2 HH12 ARG 2 0.816 -2.297 -9.052 17 HH21 ARG 2 HH21 ARG 2 -1.629 0.125 -8.435 18 HH22 ARG 2 HH22 ARG 2 -0.520 -0.518 -9.598 19 H ASP 3 H ASP 3 3.946 -4.707 -4.860 20 HA ASP 3 HA ASP 3 5.833 -2.995 -6.280 21 HB2 ASP 3 HB2 ASP 3 5.724 -6.016 -6.222 22 HB3 ASP 3 HB3 ASP 3 7.069 -5.010 -6.754 23 H ALA 4 H ALA 4 5.782 -2.613 -8.414 24 HA ALA 4 HA ALA 4 4.635 -4.302 -10.352 25 HB1 ALA 4 HB1 ALA 4 2.497 -3.746 -9.506 26 HB2 ALA 4 HB2 ALA 4 2.902 -2.032 -9.407 27 HB3 ALA 4 HB3 ALA 4 2.707 -2.802 -10.982 28 H TYR 5 H TYR 5 4.100 -2.828 -12.433 29 HA TYR 5 HA TYR 5 6.568 -1.398 -12.923 30 HB2 TYR 5 HB2 TYR 5 4.277 -1.824 -14.844 31 HB3 TYR 5 HB3 TYR 5 5.949 -1.442 -15.238 32 HD1 TYR 5 HD1 TYR 5 7.720 -3.171 -14.873 33 HD2 TYR 5 HD2 TYR 5 3.576 -4.065 -14.501 34 HE1 TYR 5 HE1 TYR 5 8.226 -5.570 -15.069 35 HE2 TYR 5 HE2 TYR 5 4.071 -6.466 -14.696 36 HH TYR 5 HH TYR 5 5.973 -7.990 -14.332 37 H ILE 6 H ILE 6 6.820 0.747 -13.043 38 HA ILE 6 HA ILE 6 4.698 2.467 -12.197 39 HB ILE 6 HB ILE 6 6.869 3.074 -11.471 40 HG12 ILE 6 HG12 ILE 6 6.493 5.045 -13.698 41 HG13 ILE 6 HG13 ILE 6 5.250 4.882 -12.462 42 HG21 ILE 6 HG21 ILE 6 8.463 2.158 -12.806 43 HG22 ILE 6 HG22 ILE 6 7.609 2.565 -14.293 44 HG23 ILE 6 HG23 ILE 6 8.516 3.807 -13.429 45 HD11 ILE 6 HD11 ILE 6 7.404 6.537 -12.326 46 HD12 ILE 6 HD12 ILE 6 6.463 5.974 -10.944 47 HD13 ILE 6 HD13 ILE 6 7.953 5.145 -11.393 48 H ALA 7 H ALA 7 3.374 3.721 -13.370 49 HA ALA 7 HA ALA 7 3.396 3.416 -16.254 50 HB1 ALA 7 HB1 ALA 7 1.308 5.045 -15.816 51 HB2 ALA 7 HB2 ALA 7 1.222 3.290 -15.653 52 HB3 ALA 7 HB3 ALA 7 1.444 4.298 -14.224 53 H LYS 8 H LYS 8 3.285 5.210 -17.718 54 HA LYS 8 HA LYS 8 4.375 7.732 -16.676 55 HB2 LYS 8 HB2 LYS 8 6.260 7.605 -17.879 56 HB3 LYS 8 HB3 LYS 8 5.883 5.902 -18.104 57 HG2 LYS 8 HG2 LYS 8 4.477 6.775 -20.121 58 HG3 LYS 8 HG3 LYS 8 5.526 8.188 -19.982 59 HD2 LYS 8 HD2 LYS 8 6.627 5.394 -20.109 60 HD3 LYS 8 HD3 LYS 8 6.263 6.321 -21.567 61 HE2 LYS 8 HE2 LYS 8 7.884 7.658 -19.477 62 HE3 LYS 8 HE3 LYS 8 8.657 6.359 -20.385 63 HZ1 LYS 8 HZ1 LYS 8 8.682 8.841 -21.220 64 HZ2 LYS 8 HZ2 LYS 8 7.200 8.390 -21.900 65 HZ3 LYS 8 HZ3 LYS 8 8.608 7.544 -22.304 66 HA PRO 9 HA PRO 9 1.537 9.840 -19.276 67 HB2 PRO 9 HB2 PRO 9 3.013 11.837 -20.373 68 HB3 PRO 9 HB3 PRO 9 2.540 11.816 -18.670 69 HG2 PRO 9 HG2 PRO 9 5.143 11.031 -19.923 70 HG3 PRO 9 HG3 PRO 9 4.850 11.971 -18.448 71 HD2 PRO 9 HD2 PRO 9 5.509 9.345 -18.396 72 HD3 PRO 9 HD3 PRO 9 4.454 10.088 -17.178 73 H HIS 10 H HIS 10 1.620 8.460 -22.465 74 HA HIS 10 HA HIS 10 0.734 8.650 -19.667 75 HB2 HIS 10 HB2 HIS 10 -0.673 9.540 -22.130 76 HB3 HIS 10 HB3 HIS 10 -1.644 8.740 -20.898 77 HD1 HIS 10 HD1 HIS 10 -2.238 10.073 -18.839 78 HD2 HIS 10 HD2 HIS 10 0.535 11.994 -21.264 79 HE1 HIS 10 HE1 HIS 10 -2.029 12.400 -17.908 80 H ASN 11 H ASN 11 0.111 6.771 -18.814 81 HA ASN 11 HA ASN 11 -0.401 4.566 -18.600 82 HB2 ASN 11 HB2 ASN 11 -2.376 5.488 -20.046 83 HB3 ASN 11 HB3 ASN 11 -1.620 4.566 -21.341 84 HD21 ASN 11 HD21 ASN 11 -1.607 2.333 -21.248 85 HD22 ASN 11 HD22 ASN 11 -2.605 1.447 -20.152 86 H CYS 12 H CYS 12 2.131 5.294 -19.742 87 HA CYS 12 HA CYS 12 2.633 2.976 -21.492 88 HB2 CYS 12 HB2 CYS 12 4.607 5.202 -21.290 89 HB3 CYS 12 HB3 CYS 12 4.220 4.166 -22.660 90 H VAL 13 H VAL 13 4.564 1.770 -21.152 91 HA VAL 13 HA VAL 13 5.256 1.548 -18.349 92 HB VAL 13 HB VAL 13 6.019 -0.554 -18.795 93 HG11 VAL 13 HG11 VAL 13 4.587 -0.502 -21.388 94 HG12 VAL 13 HG12 VAL 13 4.414 -1.600 -20.017 95 HG13 VAL 13 HG13 VAL 13 3.690 0.008 -19.958 96 HG21 VAL 13 HG21 VAL 13 7.895 -0.328 -20.079 97 HG22 VAL 13 HG22 VAL 13 6.823 -1.086 -21.257 98 HG23 VAL 13 HG23 VAL 13 7.081 0.658 -21.293 99 H TYR 14 H TYR 14 7.399 1.586 -17.534 100 HA TYR 14 HA TYR 14 9.106 3.492 -18.942 101 HB2 TYR 14 HB2 TYR 14 8.757 2.657 -16.111 102 HB3 TYR 14 HB3 TYR 14 10.366 3.180 -16.598 103 HD1 TYR 14 HD1 TYR 14 7.221 4.244 -15.414 104 HD2 TYR 14 HD2 TYR 14 10.456 5.460 -17.896 105 HE1 TYR 14 HE1 TYR 14 6.527 6.590 -15.159 106 HE2 TYR 14 HE2 TYR 14 9.771 7.810 -17.647 107 HH TYR 14 HH TYR 14 8.115 9.020 -15.451 108 H GLU 15 H GLU 15 10.040 2.167 -20.512 109 HA GLU 15 HA GLU 15 11.254 -0.324 -19.985 110 HB2 GLU 15 HB2 GLU 15 10.571 0.661 -22.245 111 HB3 GLU 15 HB3 GLU 15 12.082 1.559 -22.187 112 HG2 GLU 15 HG2 GLU 15 12.871 -0.217 -23.302 113 HG3 GLU 15 HG3 GLU 15 12.998 -0.917 -21.690 114 H CYS 16 H CYS 16 13.269 -0.890 -19.360 115 HA CYS 16 HA CYS 16 14.931 1.180 -18.205 116 HB2 CYS 16 HB2 CYS 16 16.054 -0.532 -17.070 117 HB3 CYS 16 HB3 CYS 16 14.401 -1.129 -17.178 118 H TYR 17 H TYR 17 17.258 1.263 -18.595 119 HA TYR 17 HA TYR 17 17.828 0.960 -21.448 120 HB2 TYR 17 HB2 TYR 17 18.230 3.084 -19.837 121 HB3 TYR 17 HB3 TYR 17 19.791 2.289 -19.669 122 HD1 TYR 17 HD1 TYR 17 19.387 5.007 -20.880 123 HD2 TYR 17 HD2 TYR 17 19.452 1.136 -22.644 124 HE1 TYR 17 HE1 TYR 17 20.116 5.997 -23.011 125 HE2 TYR 17 HE2 TYR 17 20.181 2.115 -24.779 126 HH TYR 17 HH TYR 17 21.550 4.562 -25.310 127 H ASN 18 H ASN 18 18.912 -0.113 -18.297 128 HA ASN 18 HA ASN 18 20.388 -2.276 -19.525 129 HB2 ASN 18 HB2 ASN 18 21.880 -0.102 -19.137 130 HB3 ASN 18 HB3 ASN 18 21.957 -0.751 -17.502 131 HD21 ASN 18 HD21 ASN 18 22.241 -1.861 -20.860 132 HD22 ASN 18 HD22 ASN 18 23.592 -2.901 -20.580 133 HA PRO 19 HA PRO 19 18.894 -4.391 -15.971 134 HB2 PRO 19 HB2 PRO 19 20.640 -6.469 -15.906 135 HB3 PRO 19 HB3 PRO 19 19.353 -6.333 -17.110 136 HG2 PRO 19 HG2 PRO 19 22.258 -5.655 -17.358 137 HG3 PRO 19 HG3 PRO 19 21.203 -6.493 -18.510 138 HD2 PRO 19 HD2 PRO 19 21.849 -3.876 -18.764 139 HD3 PRO 19 HD3 PRO 19 20.284 -4.529 -19.290 140 H LYS 20 H LYS 20 22.338 -3.648 -16.174 141 HA LYS 20 HA LYS 20 22.620 -3.885 -13.276 142 HB2 LYS 20 HB2 LYS 20 24.488 -3.765 -15.584 143 HB3 LYS 20 HB3 LYS 20 25.060 -3.099 -14.060 144 HG2 LYS 20 HG2 LYS 20 23.961 -5.882 -14.384 145 HG3 LYS 20 HG3 LYS 20 25.677 -5.472 -14.427 146 HD2 LYS 20 HD2 LYS 20 25.492 -4.549 -12.153 147 HD3 LYS 20 HD3 LYS 20 23.791 -5.017 -12.114 148 HE2 LYS 20 HE2 LYS 20 24.814 -7.378 -12.748 149 HE3 LYS 20 HE3 LYS 20 26.238 -6.699 -11.962 150 HZ1 LYS 20 HZ1 LYS 20 24.300 -6.086 -10.214 151 HZ2 LYS 20 HZ2 LYS 20 25.270 -7.468 -10.112 152 HZ3 LYS 20 HZ3 LYS 20 23.732 -7.563 -10.812 153 H GLY 21 H GLY 21 21.058 -1.732 -14.656 154 HA2 GLY 21 HA2 GLY 21 22.591 0.594 -13.672 155 HA3 GLY 21 HA3 GLY 21 21.409 0.674 -14.969 156 H SER 22 H SER 22 21.793 1.786 -12.061 157 HA SER 22 HA SER 22 19.334 0.936 -10.799 158 HB2 SER 22 HB2 SER 22 21.547 2.829 -10.066 159 HB3 SER 22 HB3 SER 22 20.019 2.874 -9.187 160 HG SER 22 HG SER 22 20.417 0.467 -9.029 161 H TYR 23 H TYR 23 19.323 2.341 -13.435 162 HA TYR 23 HA TYR 23 18.363 4.972 -13.124 163 HB2 TYR 23 HB2 TYR 23 19.137 4.250 -15.280 164 HB3 TYR 23 HB3 TYR 23 17.958 2.944 -15.327 165 HD1 TYR 23 HD1 TYR 23 16.830 3.515 -17.330 166 HD2 TYR 23 HD2 TYR 23 17.276 6.420 -14.254 167 HE1 TYR 23 HE1 TYR 23 15.244 4.987 -18.499 168 HE2 TYR 23 HE2 TYR 23 15.690 7.900 -15.414 169 HH TYR 23 HH TYR 23 14.720 7.411 -18.608 170 H CYS 24 H CYS 24 16.701 1.852 -13.326 171 HA CYS 24 HA CYS 24 14.074 2.912 -13.262 172 HB2 CYS 24 HB2 CYS 24 14.510 0.657 -14.078 173 HB3 CYS 24 HB3 CYS 24 15.101 0.173 -12.491 174 H ASN 25 H ASN 25 16.251 1.698 -10.748 175 HA ASN 25 HA ASN 25 14.518 1.748 -8.582 176 HB2 ASN 25 HB2 ASN 25 17.057 1.031 -8.823 177 HB3 ASN 25 HB3 ASN 25 17.339 2.651 -8.191 178 HD21 ASN 25 HD21 ASN 25 16.202 3.200 -6.174 179 HD22 ASN 25 HD22 ASN 25 15.997 1.959 -4.990 180 H ASP 26 H ASP 26 16.768 4.326 -9.593 181 HA ASP 26 HA ASP 26 15.980 6.252 -7.753 182 HB2 ASP 26 HB2 ASP 26 17.239 6.361 -10.465 183 HB3 ASP 26 HB3 ASP 26 16.706 7.862 -9.712 184 H LEU 27 H LEU 27 14.816 5.801 -11.090 185 HA LEU 27 HA LEU 27 12.924 7.852 -11.088 186 HB2 LEU 27 HB2 LEU 27 13.233 7.064 -13.192 187 HB3 LEU 27 HB3 LEU 27 13.391 5.391 -12.659 188 HG LEU 27 HG LEU 27 10.971 5.208 -12.461 189 HD11 LEU 27 HD11 LEU 27 10.491 7.794 -13.806 190 HD12 LEU 27 HD12 LEU 27 10.903 7.856 -12.092 191 HD13 LEU 27 HD13 LEU 27 9.507 6.922 -12.630 192 HD21 LEU 27 HD21 LEU 27 12.413 5.232 -14.765 193 HD22 LEU 27 HD22 LEU 27 11.135 6.388 -15.141 194 HD23 LEU 27 HD23 LEU 27 10.722 4.747 -14.642 195 H CYS 28 H CYS 28 12.681 4.500 -10.018 196 HA CYS 28 HA CYS 28 9.903 4.425 -9.603 197 HB2 CYS 28 HB2 CYS 28 12.229 2.868 -8.538 198 HB3 CYS 28 HB3 CYS 28 10.638 2.638 -7.820 199 H THR 29 H THR 29 12.550 5.098 -7.318 200 HA THR 29 HA THR 29 10.912 5.624 -5.093 201 HB THR 29 HB THR 29 12.815 6.238 -3.967 202 HG1 THR 29 HG1 THR 29 14.089 7.194 -6.316 203 HG21 THR 29 HG21 THR 29 14.567 5.184 -6.054 204 HG22 THR 29 HG22 THR 29 13.139 4.188 -5.772 205 HG23 THR 29 HG23 THR 29 14.231 4.563 -4.439 206 H GLU 30 H GLU 30 11.760 7.542 -7.844 207 HA GLU 30 HA GLU 30 11.390 10.119 -6.827 208 HB2 GLU 30 HB2 GLU 30 12.200 9.284 -9.173 209 HB3 GLU 30 HB3 GLU 30 10.499 9.411 -9.597 210 HG2 GLU 30 HG2 GLU 30 11.564 11.430 -10.245 211 HG3 GLU 30 HG3 GLU 30 10.555 11.781 -8.843 212 H ASN 31 H ASN 31 9.120 7.621 -7.503 213 HA ASN 31 HA ASN 31 6.875 9.504 -7.316 214 HB2 ASN 31 HB2 ASN 31 6.939 6.605 -8.181 215 HB3 ASN 31 HB3 ASN 31 5.486 7.597 -8.097 216 HD21 ASN 31 HD21 ASN 31 8.773 7.856 -9.419 217 HD22 ASN 31 HD22 ASN 31 8.286 8.474 -10.957 218 H GLY 32 H GLY 32 8.634 8.452 -5.092 219 HA2 GLY 32 HA2 GLY 32 8.151 8.170 -2.832 220 HA3 GLY 32 HA3 GLY 32 6.465 7.910 -3.252 221 H ALA 33 H ALA 33 8.802 6.067 -4.971 222 HA ALA 33 HA ALA 33 7.783 3.631 -3.777 223 HB1 ALA 33 HB1 ALA 33 8.647 2.508 -5.597 224 HB2 ALA 33 HB2 ALA 33 8.296 4.094 -6.286 225 HB3 ALA 33 HB3 ALA 33 9.948 3.675 -5.835 226 H GLU 34 H GLU 34 9.023 2.061 -2.731 227 HA GLU 34 HA GLU 34 11.148 3.089 -1.113 228 HB2 GLU 34 HB2 GLU 34 9.317 1.200 -0.668 229 HB3 GLU 34 HB3 GLU 34 10.614 0.164 -1.244 230 HG2 GLU 34 HG2 GLU 34 10.793 0.224 1.103 231 HG3 GLU 34 HG3 GLU 34 12.096 1.233 0.477 232 H SER 35 H SER 35 10.922 1.106 -3.978 233 HA SER 35 HA SER 35 13.717 1.442 -4.517 234 HB2 SER 35 HB2 SER 35 12.683 -1.146 -3.466 235 HB3 SER 35 HB3 SER 35 13.848 -1.215 -4.788 236 HG SER 35 HG SER 35 14.479 -1.026 -2.341 237 H GLY 36 H GLY 36 14.283 -0.043 -6.531 238 HA2 GLY 36 HA2 GLY 36 12.171 -0.784 -8.272 239 HA3 GLY 36 HA3 GLY 36 12.730 0.836 -8.663 240 H TYR 37 H TYR 37 12.880 -1.498 -10.335 241 HA TYR 37 HA TYR 37 15.612 -1.282 -11.135 242 HB2 TYR 37 HB2 TYR 37 16.282 -3.588 -10.839 243 HB3 TYR 37 HB3 TYR 37 15.807 -2.926 -9.279 244 HD1 TYR 37 HD1 TYR 37 14.896 -5.264 -11.958 245 HD2 TYR 37 HD2 TYR 37 13.845 -3.741 -8.127 246 HE1 TYR 37 HE1 TYR 37 13.322 -7.129 -11.655 247 HE2 TYR 37 HE2 TYR 37 12.269 -5.602 -7.813 248 HH TYR 37 HH TYR 37 11.317 -7.384 -8.736 249 H CYS 38 H CYS 38 16.066 -2.696 -13.060 250 HA CYS 38 HA CYS 38 13.869 -2.508 -14.885 251 HB2 CYS 38 HB2 CYS 38 16.033 -2.020 -15.756 252 HB3 CYS 38 HB3 CYS 38 16.692 -3.538 -15.156 253 H GLN 39 H GLN 39 12.352 -3.981 -15.212 254 HA GLN 39 HA GLN 39 12.862 -6.747 -14.368 255 HB2 GLN 39 HB2 GLN 39 10.936 -5.544 -13.342 256 HB3 GLN 39 HB3 GLN 39 10.213 -5.408 -14.939 257 HG2 GLN 39 HG2 GLN 39 9.187 -7.322 -14.502 258 HG3 GLN 39 HG3 GLN 39 10.755 -8.101 -14.703 259 HE21 GLN 39 HE21 GLN 39 8.551 -6.699 -12.357 260 HE22 GLN 39 HE22 GLN 39 9.138 -7.586 -10.995 261 H ILE 40 H ILE 40 13.037 -8.316 -15.829 262 HA ILE 40 HA ILE 40 12.530 -7.671 -18.634 263 HB ILE 40 HB ILE 40 13.673 -10.304 -17.935 264 HG12 ILE 40 HG12 ILE 40 14.770 -8.946 -16.248 265 HG13 ILE 40 HG13 ILE 40 15.919 -9.325 -17.527 266 HG21 ILE 40 HG21 ILE 40 14.240 -10.168 -20.074 267 HG22 ILE 40 HG22 ILE 40 13.551 -8.547 -20.154 268 HG23 ILE 40 HG23 ILE 40 15.249 -8.763 -19.727 269 HD11 ILE 40 HD11 ILE 40 15.938 -6.963 -16.631 270 HD12 ILE 40 HD12 ILE 40 15.837 -7.141 -18.383 271 HD13 ILE 40 HD13 ILE 40 14.393 -6.744 -17.452 272 H LEU 41 H LEU 41 11.441 -9.789 -16.078 273 HA LEU 41 HA LEU 41 9.881 -11.483 -17.792 274 HB2 LEU 41 HB2 LEU 41 10.871 -11.861 -15.366 275 HB3 LEU 41 HB3 LEU 41 9.296 -11.232 -14.888 276 HG LEU 41 HG LEU 41 9.570 -13.566 -16.761 277 HD11 LEU 41 HD11 LEU 41 10.181 -14.926 -15.124 278 HD12 LEU 41 HD12 LEU 41 8.857 -14.357 -14.108 279 HD13 LEU 41 HD13 LEU 41 10.411 -13.524 -14.078 280 HD21 LEU 41 HD21 LEU 41 7.304 -14.007 -15.528 281 HD22 LEU 41 HD22 LEU 41 7.387 -12.854 -16.861 282 HD23 LEU 41 HD23 LEU 41 7.384 -12.277 -15.194 283 H GLY 42 H GLY 42 9.218 -8.932 -18.453 284 HA2 GLY 42 HA2 GLY 42 6.664 -8.379 -17.106 285 HA3 GLY 42 HA3 GLY 42 7.541 -7.257 -18.136 286 H LYS 43 H LYS 43 4.729 -8.478 -18.115 287 HA LYS 43 HA LYS 43 4.375 -10.134 -20.327 288 HB2 LYS 43 HB2 LYS 43 2.456 -7.990 -19.407 289 HB3 LYS 43 HB3 LYS 43 2.061 -9.455 -20.296 290 HG2 LYS 43 HG2 LYS 43 2.224 -10.788 -18.451 291 HG3 LYS 43 HG3 LYS 43 3.392 -9.731 -17.654 292 HD2 LYS 43 HD2 LYS 43 0.811 -8.450 -18.074 293 HD3 LYS 43 HD3 LYS 43 0.699 -9.905 -17.081 294 HE2 LYS 43 HE2 LYS 43 2.620 -7.632 -16.594 295 HE3 LYS 43 HE3 LYS 43 1.075 -7.832 -15.770 296 HZ1 LYS 43 HZ1 LYS 43 1.879 -9.986 -14.944 297 HZ2 LYS 43 HZ2 LYS 43 2.837 -8.698 -14.411 298 HZ3 LYS 43 HZ3 LYS 43 3.383 -9.697 -15.662 299 H TYR 44 H TYR 44 5.084 -6.758 -20.147 300 HA TYR 44 HA TYR 44 4.612 -6.483 -23.041 301 HB2 TYR 44 HB2 TYR 44 5.116 -4.092 -21.339 302 HB3 TYR 44 HB3 TYR 44 4.078 -4.269 -22.750 303 HD1 TYR 44 HD1 TYR 44 2.063 -6.032 -22.302 304 HD2 TYR 44 HD2 TYR 44 4.045 -3.707 -19.341 305 HE1 TYR 44 HE1 TYR 44 0.099 -6.236 -20.836 306 HE2 TYR 44 HE2 TYR 44 2.087 -3.905 -17.866 307 HH TYR 44 HH TYR 44 -0.016 -5.956 -17.865 308 H GLY 45 H GLY 45 6.971 -7.644 -21.581 309 HA2 GLY 45 HA2 GLY 45 9.182 -7.746 -22.397 310 HA3 GLY 45 HA3 GLY 45 8.990 -6.128 -23.054 311 H ASN 46 H ASN 46 10.667 -5.059 -22.167 312 HA ASN 46 HA ASN 46 11.311 -5.390 -19.359 313 HB2 ASN 46 HB2 ASN 46 12.549 -3.841 -21.626 314 HB3 ASN 46 HB3 ASN 46 13.062 -3.591 -19.959 315 HD21 ASN 46 HD21 ASN 46 13.473 -5.753 -18.781 316 HD22 ASN 46 HD22 ASN 46 14.442 -6.889 -19.651 317 H ALA 47 H ALA 47 10.320 -4.267 -17.831 318 HA ALA 47 HA ALA 47 9.574 -1.479 -18.370 319 HB1 ALA 47 HB1 ALA 47 7.777 -3.698 -17.710 320 HB2 ALA 47 HB2 ALA 47 7.562 -2.259 -16.712 321 HB3 ALA 47 HB3 ALA 47 7.434 -2.142 -18.467 322 H CYS 48 H CYS 48 9.629 -0.100 -16.588 323 HA CYS 48 HA CYS 48 11.507 -0.758 -14.577 324 HB2 CYS 48 HB2 CYS 48 11.056 1.547 -15.483 325 HB3 CYS 48 HB3 CYS 48 9.563 1.555 -14.550 326 H TRP 49 H TRP 49 11.077 -2.204 -13.038 327 HA TRP 49 HA TRP 49 8.395 -2.357 -11.893 328 HB2 TRP 49 HB2 TRP 49 9.466 -4.456 -12.575 329 HB3 TRP 49 HB3 TRP 49 10.812 -4.132 -11.487 330 HD1 TRP 49 HD1 TRP 49 10.397 -4.499 -8.873 331 HE1 TRP 49 HE1 TRP 49 8.591 -5.801 -7.582 332 HE3 TRP 49 HE3 TRP 49 6.984 -5.095 -12.632 333 HZ2 TRP 49 HZ2 TRP 49 6.055 -6.931 -8.090 334 HZ3 TRP 49 HZ3 TRP 49 4.894 -6.299 -12.147 335 HH2 TRP 49 HH2 TRP 49 4.441 -7.198 -9.923 336 H CYS 50 H CYS 50 7.971 -1.076 -10.226 337 HA CYS 50 HA CYS 50 10.131 -0.252 -8.439 338 HB2 CYS 50 HB2 CYS 50 7.260 0.694 -8.475 339 HB3 CYS 50 HB3 CYS 50 8.613 1.445 -7.635 340 H ILE 51 H ILE 51 10.167 -0.670 -6.260 341 HA ILE 51 HA ILE 51 8.308 -2.759 -5.347 342 HB ILE 51 HB ILE 51 11.062 -2.051 -4.329 343 HG12 ILE 51 HG12 ILE 51 10.640 -3.353 -6.577 344 HG13 ILE 51 HG13 ILE 51 11.875 -3.902 -5.450 345 HG21 ILE 51 HG21 ILE 51 9.806 -2.785 -2.460 346 HG22 ILE 51 HG22 ILE 51 9.051 -4.080 -3.387 347 HG23 ILE 51 HG23 ILE 51 10.766 -4.167 -2.987 348 HD11 ILE 51 HD11 ILE 51 9.101 -5.019 -5.765 349 HD12 ILE 51 HD12 ILE 51 10.618 -5.781 -6.244 350 HD13 ILE 51 HD13 ILE 51 10.259 -5.527 -4.536 351 H GLN 52 H GLN 52 7.022 -2.438 -3.626 352 HA GLN 52 HA GLN 52 5.963 -1.415 -1.892 353 HB2 GLN 52 HB2 GLN 52 8.773 -0.494 -1.574 354 HB3 GLN 52 HB3 GLN 52 7.534 0.363 -0.667 355 HG2 GLN 52 HG2 GLN 52 7.552 -2.604 -0.562 356 HG3 GLN 52 HG3 GLN 52 8.794 -1.723 0.328 357 HE21 GLN 52 HE21 GLN 52 5.344 -2.201 -0.049 358 HE22 GLN 52 HE22 GLN 52 4.900 -1.629 1.519 359 H LEU 53 H LEU 53 5.434 -0.415 -4.382 360 HA LEU 53 HA LEU 53 5.628 2.476 -4.315 361 HB2 LEU 53 HB2 LEU 53 5.755 0.958 -6.388 362 HB3 LEU 53 HB3 LEU 53 3.999 0.877 -6.261 363 HG LEU 53 HG LEU 53 3.897 3.330 -6.516 364 HD11 LEU 53 HD11 LEU 53 6.559 3.268 -5.826 365 HD12 LEU 53 HD12 LEU 53 5.686 4.657 -6.472 366 HD13 LEU 53 HD13 LEU 53 6.598 3.607 -7.557 367 HD21 LEU 53 HD21 LEU 53 4.189 1.447 -8.444 368 HD22 LEU 53 HD22 LEU 53 5.492 2.561 -8.861 369 HD23 LEU 53 HD23 LEU 53 3.831 3.146 -8.755 370 HA PRO 54 HA PRO 54 1.808 3.069 -2.175 371 HB2 PRO 54 HB2 PRO 54 1.466 5.696 -2.770 372 HB3 PRO 54 HB3 PRO 54 2.646 5.125 -1.584 373 HG2 PRO 54 HG2 PRO 54 3.063 5.922 -4.440 374 HG3 PRO 54 HG3 PRO 54 4.048 6.306 -3.016 375 HD2 PRO 54 HD2 PRO 54 4.716 4.349 -4.764 376 HD3 PRO 54 HD3 PRO 54 5.099 4.255 -3.033 377 H ASP 55 H ASP 55 -0.364 3.127 -2.621 378 HA ASP 55 HA ASP 55 -1.204 2.540 -5.252 379 HB2 ASP 55 HB2 ASP 55 -2.579 3.036 -2.647 380 HB3 ASP 55 HB3 ASP 55 -3.542 3.055 -4.121 381 H ASN 56 H ASN 56 -0.339 5.448 -3.929 382 HA ASN 56 HA ASN 56 -2.318 7.119 -5.182 383 HB2 ASN 56 HB2 ASN 56 0.350 7.783 -3.919 384 HB3 ASN 56 HB3 ASN 56 -0.810 8.979 -4.489 385 HD21 ASN 56 HD21 ASN 56 -2.447 9.564 -3.202 386 HD22 ASN 56 HD22 ASN 56 -2.777 8.874 -1.653 387 H VAL 57 H VAL 57 0.743 5.743 -6.046 388 HA VAL 57 HA VAL 57 1.093 7.505 -8.332 389 HB VAL 57 HB VAL 57 2.723 5.068 -7.615 390 HG11 VAL 57 HG11 VAL 57 2.910 5.963 -9.933 391 HG12 VAL 57 HG12 VAL 57 3.465 7.491 -9.248 392 HG13 VAL 57 HG13 VAL 57 4.415 6.022 -9.017 393 HG21 VAL 57 HG21 VAL 57 3.691 7.801 -6.991 394 HG22 VAL 57 HG22 VAL 57 2.472 7.106 -5.923 395 HG23 VAL 57 HG23 VAL 57 4.006 6.272 -6.170 396 HA PRO 58 HA PRO 58 -1.147 4.910 -11.115 397 HB2 PRO 58 HB2 PRO 58 -0.169 5.921 -13.437 398 HB3 PRO 58 HB3 PRO 58 -1.349 6.777 -12.438 399 HG2 PRO 58 HG2 PRO 58 1.618 7.144 -12.599 400 HG3 PRO 58 HG3 PRO 58 0.340 8.373 -12.527 401 HD2 PRO 58 HD2 PRO 58 1.798 7.658 -10.360 402 HD3 PRO 58 HD3 PRO 58 0.103 8.173 -10.243 403 H ILE 59 H ILE 59 -0.838 3.014 -12.189 404 HA ILE 59 HA ILE 59 1.953 2.173 -12.632 405 HB ILE 59 HB ILE 59 1.203 -0.144 -12.253 406 HG12 ILE 59 HG12 ILE 59 -1.334 0.807 -11.019 407 HG13 ILE 59 HG13 ILE 59 -1.285 0.680 -12.774 408 HG21 ILE 59 HG21 ILE 59 1.343 -0.040 -9.949 409 HG22 ILE 59 HG22 ILE 59 2.014 1.518 -10.429 410 HG23 ILE 59 HG23 ILE 59 0.351 1.415 -9.850 411 HD11 ILE 59 HD11 ILE 59 -0.180 -1.695 -11.717 412 HD12 ILE 59 HD12 ILE 59 -1.681 -1.364 -10.853 413 HD13 ILE 59 HD13 ILE 59 -1.684 -1.483 -12.613 414 H ARG 60 H ARG 60 2.113 0.341 -14.262 415 HA ARG 60 HA ARG 60 0.937 1.229 -16.716 416 HB2 ARG 60 HB2 ARG 60 3.123 0.449 -16.968 417 HB3 ARG 60 HB3 ARG 60 2.840 -0.960 -15.954 418 HG2 ARG 60 HG2 ARG 60 3.099 -1.531 -18.328 419 HG3 ARG 60 HG3 ARG 60 1.521 -1.995 -17.687 420 HD2 ARG 60 HD2 ARG 60 0.415 -0.319 -18.844 421 HD3 ARG 60 HD3 ARG 60 1.875 0.652 -19.030 422 HE ARG 60 HE ARG 60 2.434 -1.556 -20.475 423 HH11 ARG 60 HH11 ARG 60 -0.277 0.626 -20.429 424 HH12 ARG 60 HH12 ARG 60 -0.649 0.409 -22.107 425 HH21 ARG 60 HH21 ARG 60 1.956 -1.851 -22.686 426 HH22 ARG 60 HH22 ARG 60 0.622 -1.002 -23.390 427 H ILE 61 H ILE 61 -0.959 0.636 -17.517 428 HA ILE 61 HA ILE 61 -2.173 -1.868 -16.552 429 HB ILE 61 HB ILE 61 -4.281 -0.643 -17.627 430 HG12 ILE 61 HG12 ILE 61 -2.728 1.308 -18.244 431 HG13 ILE 61 HG13 ILE 61 -4.250 1.706 -17.455 432 HG21 ILE 61 HG21 ILE 61 -3.088 -0.666 -14.936 433 HG22 ILE 61 HG22 ILE 61 -4.371 0.515 -15.193 434 HG23 ILE 61 HG23 ILE 61 -4.679 -1.198 -15.480 435 HD11 ILE 61 HD11 ILE 61 -1.620 2.385 -16.673 436 HD12 ILE 61 HD12 ILE 61 -3.145 2.797 -15.888 437 HD13 ILE 61 HD13 ILE 61 -2.295 1.318 -15.442 438 HA PRO 62 HA PRO 62 -2.246 -3.612 -20.578 439 HB2 PRO 62 HB2 PRO 62 -4.670 -4.834 -20.640 440 HB3 PRO 62 HB3 PRO 62 -3.318 -5.429 -19.668 441 HG2 PRO 62 HG2 PRO 62 -5.675 -3.784 -18.830 442 HG3 PRO 62 HG3 PRO 62 -4.926 -5.165 -18.009 443 HD2 PRO 62 HD2 PRO 62 -4.452 -2.603 -17.274 444 HD3 PRO 62 HD3 PRO 62 -3.229 -3.881 -17.124 445 H GLY 63 H GLY 63 -2.506 -1.108 -21.145 446 HA2 GLY 63 HA2 GLY 63 -4.742 -1.005 -23.044 447 HA3 GLY 63 HA3 GLY 63 -4.538 0.329 -21.918 448 H LYS 64 H LYS 64 -4.473 1.351 -24.191 449 HA LYS 64 HA LYS 64 -1.911 1.137 -25.526 450 HB2 LYS 64 HB2 LYS 64 -4.464 2.613 -26.047 451 HB3 LYS 64 HB3 LYS 64 -2.991 3.123 -26.861 452 HG2 LYS 64 HG2 LYS 64 -4.309 1.601 -28.238 453 HG3 LYS 64 HG3 LYS 64 -2.734 0.914 -27.834 454 HD2 LYS 64 HD2 LYS 64 -3.818 -0.359 -25.999 455 HD3 LYS 64 HD3 LYS 64 -5.381 0.259 -26.540 456 HE2 LYS 64 HE2 LYS 64 -3.618 -1.094 -28.521 457 HE3 LYS 64 HE3 LYS 64 -4.472 -2.086 -27.340 458 HZ1 LYS 64 HZ1 LYS 64 -5.474 -0.832 -29.676 459 HZ2 LYS 64 HZ2 LYS 64 -6.334 -0.303 -28.319 460 HZ3 LYS 64 HZ3 LYS 64 -6.229 -1.956 -28.661 461 H CYS 65 H CYS 65 -0.438 2.866 -25.793 462 HA CYS 65 HA CYS 65 -0.370 4.668 -23.494 463 HB2 CYS 65 HB2 CYS 65 1.689 3.602 -23.664 464 HB3 CYS 65 HB3 CYS 65 1.679 3.643 -25.424 465 H HIS 66 H HIS 66 0.342 6.911 -23.818 466 HA HIS 66 HA HIS 66 -1.275 8.501 -25.209 467 HB2 HIS 66 HB2 HIS 66 0.464 10.222 -25.262 468 HB3 HIS 66 HB3 HIS 66 0.505 9.346 -23.735 469 HD1 HIS 66 HD1 HIS 66 2.991 10.051 -23.413 470 HD2 HIS 66 HD2 HIS 66 2.286 7.689 -26.758 471 HE1 HIS 66 HE1 HIS 66 5.258 9.274 -24.177 Start of MODEL 6 1 H ALA 1 H ALA 1 4.775 -0.094 1.051 2 HA ALA 1 HA ALA 1 2.221 -0.038 -0.009 3 HB1 ALA 1 HB1 ALA 1 3.940 0.615 -2.127 4 HB2 ALA 1 HB2 ALA 1 3.157 1.717 -0.994 5 HB3 ALA 1 HB3 ALA 1 4.773 1.102 -0.651 6 H ARG 2 H ARG 2 2.420 -0.332 -2.759 7 HA ARG 2 HA ARG 2 2.257 -3.230 -2.982 8 HB2 ARG 2 HB2 ARG 2 0.851 -2.911 -4.771 9 HB3 ARG 2 HB3 ARG 2 0.558 -1.425 -3.878 10 HG2 ARG 2 HG2 ARG 2 2.527 -0.541 -5.401 11 HG3 ARG 2 HG3 ARG 2 1.975 -1.850 -6.448 12 HD2 ARG 2 HD2 ARG 2 0.141 0.242 -5.296 13 HD3 ARG 2 HD3 ARG 2 0.923 0.399 -6.869 14 HE ARG 2 HE ARG 2 -1.373 -1.157 -6.262 15 HH11 ARG 2 HH11 ARG 2 1.496 -1.109 -8.232 16 HH12 ARG 2 HH12 ARG 2 0.815 -2.102 -9.478 17 HH21 ARG 2 HH21 ARG 2 -2.281 -2.465 -7.895 18 HH22 ARG 2 HH22 ARG 2 -1.334 -2.872 -9.286 19 H ASP 3 H ASP 3 2.833 -3.844 -5.490 20 HA ASP 3 HA ASP 3 5.447 -2.755 -6.189 21 HB2 ASP 3 HB2 ASP 3 5.204 -5.736 -6.022 22 HB3 ASP 3 HB3 ASP 3 6.650 -4.731 -5.984 23 H ALA 4 H ALA 4 5.469 -2.396 -8.299 24 HA ALA 4 HA ALA 4 4.739 -4.304 -10.243 25 HB1 ALA 4 HB1 ALA 4 2.758 -2.064 -9.847 26 HB2 ALA 4 HB2 ALA 4 2.776 -3.184 -11.210 27 HB3 ALA 4 HB3 ALA 4 2.465 -3.783 -9.580 28 H TYR 5 H TYR 5 4.224 -2.850 -12.440 29 HA TYR 5 HA TYR 5 6.697 -1.390 -12.793 30 HB2 TYR 5 HB2 TYR 5 4.499 -2.109 -14.743 31 HB3 TYR 5 HB3 TYR 5 6.003 -1.307 -15.184 32 HD1 TYR 5 HD1 TYR 5 8.184 -2.598 -14.325 33 HD2 TYR 5 HD2 TYR 5 4.390 -4.393 -15.027 34 HE1 TYR 5 HE1 TYR 5 9.275 -4.786 -14.594 35 HE2 TYR 5 HE2 TYR 5 5.471 -6.585 -15.297 36 HH TYR 5 HH TYR 5 7.583 -7.697 -14.585 37 H ILE 6 H ILE 6 6.928 0.762 -13.129 38 HA ILE 6 HA ILE 6 4.795 2.482 -12.296 39 HB ILE 6 HB ILE 6 6.987 3.132 -11.645 40 HG12 ILE 6 HG12 ILE 6 6.331 5.003 -13.918 41 HG13 ILE 6 HG13 ILE 6 5.344 4.915 -12.463 42 HG21 ILE 6 HG21 ILE 6 7.650 2.771 -14.541 43 HG22 ILE 6 HG22 ILE 6 8.640 3.806 -13.513 44 HG23 ILE 6 HG23 ILE 6 8.449 2.098 -13.120 45 HD11 ILE 6 HD11 ILE 6 7.516 6.543 -12.854 46 HD12 ILE 6 HD12 ILE 6 6.784 6.143 -11.300 47 HD13 ILE 6 HD13 ILE 6 8.172 5.225 -11.883 48 H ALA 7 H ALA 7 3.646 3.973 -13.488 49 HA ALA 7 HA ALA 7 3.355 3.361 -16.303 50 HB1 ALA 7 HB1 ALA 7 1.862 5.332 -14.575 51 HB2 ALA 7 HB2 ALA 7 1.431 4.861 -16.220 52 HB3 ALA 7 HB3 ALA 7 1.369 3.673 -14.918 53 H LYS 8 H LYS 8 3.143 5.177 -17.884 54 HA LYS 8 HA LYS 8 4.784 7.514 -17.287 55 HB2 LYS 8 HB2 LYS 8 6.529 6.994 -18.602 56 HB3 LYS 8 HB3 LYS 8 5.948 5.338 -18.495 57 HG2 LYS 8 HG2 LYS 8 4.766 5.557 -20.571 58 HG3 LYS 8 HG3 LYS 8 5.149 7.278 -20.653 59 HD2 LYS 8 HD2 LYS 8 7.503 5.577 -20.349 60 HD3 LYS 8 HD3 LYS 8 6.592 5.255 -21.826 61 HE2 LYS 8 HE2 LYS 8 6.680 7.650 -22.378 62 HE3 LYS 8 HE3 LYS 8 7.627 7.941 -20.920 63 HZ1 LYS 8 HZ1 LYS 8 9.301 7.719 -22.406 64 HZ2 LYS 8 HZ2 LYS 8 8.427 6.705 -23.439 65 HZ3 LYS 8 HZ3 LYS 8 9.117 6.081 -22.026 66 HA PRO 9 HA PRO 9 2.071 9.676 -19.972 67 HB2 PRO 9 HB2 PRO 9 3.722 11.335 -21.348 68 HB3 PRO 9 HB3 PRO 9 3.346 11.558 -19.635 69 HG2 PRO 9 HG2 PRO 9 5.756 10.310 -20.899 70 HG3 PRO 9 HG3 PRO 9 5.665 11.431 -19.528 71 HD2 PRO 9 HD2 PRO 9 5.992 8.763 -19.207 72 HD3 PRO 9 HD3 PRO 9 5.108 9.764 -18.038 73 H HIS 10 H HIS 10 1.802 7.966 -22.986 74 HA HIS 10 HA HIS 10 1.108 8.548 -20.190 75 HB2 HIS 10 HB2 HIS 10 -0.300 9.410 -22.662 76 HB3 HIS 10 HB3 HIS 10 -1.301 8.875 -21.316 77 HD1 HIS 10 HD1 HIS 10 -1.500 10.424 -19.311 78 HD2 HIS 10 HD2 HIS 10 1.212 11.766 -22.158 79 HE1 HIS 10 HE1 HIS 10 -0.929 12.779 -18.638 80 H ASN 11 H ASN 11 0.483 6.779 -19.156 81 HA ASN 11 HA ASN 11 -0.473 4.759 -18.700 82 HB2 ASN 11 HB2 ASN 11 -2.240 5.767 -20.400 83 HB3 ASN 11 HB3 ASN 11 -1.615 4.496 -21.447 84 HD21 ASN 11 HD21 ASN 11 -2.085 2.386 -21.013 85 HD22 ASN 11 HD22 ASN 11 -3.205 1.894 -19.793 86 H CYS 12 H CYS 12 2.099 5.212 -20.249 87 HA CYS 12 HA CYS 12 2.365 2.526 -21.424 88 HB2 CYS 12 HB2 CYS 12 3.586 5.159 -22.053 89 HB3 CYS 12 HB3 CYS 12 4.621 3.745 -22.228 90 H VAL 13 H VAL 13 4.629 1.597 -21.183 91 HA VAL 13 HA VAL 13 5.320 1.677 -18.355 92 HB VAL 13 HB VAL 13 6.201 -0.414 -18.580 93 HG11 VAL 13 HG11 VAL 13 3.819 -0.172 -19.671 94 HG12 VAL 13 HG12 VAL 13 4.682 -0.669 -21.128 95 HG13 VAL 13 HG13 VAL 13 4.682 -1.709 -19.703 96 HG21 VAL 13 HG21 VAL 13 7.210 -1.280 -20.687 97 HG22 VAL 13 HG22 VAL 13 6.935 0.302 -21.415 98 HG23 VAL 13 HG23 VAL 13 8.023 0.143 -20.036 99 H TYR 14 H TYR 14 7.529 1.822 -17.639 100 HA TYR 14 HA TYR 14 9.050 3.738 -19.233 101 HB2 TYR 14 HB2 TYR 14 8.907 3.025 -16.350 102 HB3 TYR 14 HB3 TYR 14 10.451 3.615 -16.954 103 HD1 TYR 14 HD1 TYR 14 7.846 4.701 -15.174 104 HD2 TYR 14 HD2 TYR 14 9.805 5.682 -18.821 105 HE1 TYR 14 HE1 TYR 14 7.028 7.013 -14.984 106 HE2 TYR 14 HE2 TYR 14 8.994 7.997 -18.641 107 HH TYR 14 HH TYR 14 7.306 9.136 -15.780 108 H GLU 15 H GLU 15 9.913 2.324 -20.793 109 HA GLU 15 HA GLU 15 11.330 -0.037 -20.187 110 HB2 GLU 15 HB2 GLU 15 10.434 0.553 -22.435 111 HB3 GLU 15 HB3 GLU 15 11.693 1.771 -22.581 112 HG2 GLU 15 HG2 GLU 15 13.364 -0.090 -22.273 113 HG3 GLU 15 HG3 GLU 15 12.016 -1.212 -22.455 114 H CYS 16 H CYS 16 13.216 -0.276 -19.206 115 HA CYS 16 HA CYS 16 15.059 2.010 -19.104 116 HB2 CYS 16 HB2 CYS 16 16.092 0.358 -17.271 117 HB3 CYS 16 HB3 CYS 16 14.788 1.482 -16.900 118 H TYR 17 H TYR 17 17.434 1.294 -18.887 119 HA TYR 17 HA TYR 17 17.987 -0.862 -20.817 120 HB2 TYR 17 HB2 TYR 17 18.362 1.172 -22.005 121 HB3 TYR 17 HB3 TYR 17 19.228 1.884 -20.647 122 HD1 TYR 17 HD1 TYR 17 19.427 -0.729 -23.267 123 HD2 TYR 17 HD2 TYR 17 21.557 1.582 -20.399 124 HE1 TYR 17 HE1 TYR 17 21.553 -1.520 -24.217 125 HE2 TYR 17 HE2 TYR 17 23.689 0.798 -21.342 126 HH TYR 17 HH TYR 17 24.565 -0.121 -23.401 127 H ASN 18 H ASN 18 18.777 0.717 -17.854 128 HA ASN 18 HA ASN 18 21.108 -1.033 -17.474 129 HB2 ASN 18 HB2 ASN 18 21.110 1.581 -17.117 130 HB3 ASN 18 HB3 ASN 18 20.408 1.156 -15.559 131 HD21 ASN 18 HD21 ASN 18 22.963 2.377 -16.115 132 HD22 ASN 18 HD22 ASN 18 24.166 1.325 -15.458 133 HA PRO 19 HA PRO 19 17.864 -3.127 -14.985 134 HB2 PRO 19 HB2 PRO 19 18.864 -5.617 -15.396 135 HB3 PRO 19 HB3 PRO 19 17.773 -4.820 -16.536 136 HG2 PRO 19 HG2 PRO 19 20.755 -5.072 -16.629 137 HG3 PRO 19 HG3 PRO 19 19.574 -5.259 -17.939 138 HD2 PRO 19 HD2 PRO 19 21.022 -2.996 -17.594 139 HD3 PRO 19 HD3 PRO 19 19.373 -2.984 -18.252 140 H LYS 20 H LYS 20 21.356 -3.234 -14.962 141 HA LYS 20 HA LYS 20 21.407 -4.369 -12.271 142 HB2 LYS 20 HB2 LYS 20 23.727 -3.553 -14.028 143 HB3 LYS 20 HB3 LYS 20 23.810 -4.511 -12.556 144 HG2 LYS 20 HG2 LYS 20 22.147 -5.487 -14.826 145 HG3 LYS 20 HG3 LYS 20 23.903 -5.654 -14.901 146 HD2 LYS 20 HD2 LYS 20 23.694 -6.688 -12.554 147 HD3 LYS 20 HD3 LYS 20 21.977 -6.849 -12.933 148 HE2 LYS 20 HE2 LYS 20 24.112 -7.880 -14.776 149 HE3 LYS 20 HE3 LYS 20 23.503 -8.844 -13.431 150 HZ1 LYS 20 HZ1 LYS 20 21.869 -9.474 -14.767 151 HZ2 LYS 20 HZ2 LYS 20 22.330 -8.378 -15.970 152 HZ3 LYS 20 HZ3 LYS 20 21.274 -7.890 -14.741 153 H GLY 21 H GLY 21 21.700 -1.342 -13.918 154 HA2 GLY 21 HA2 GLY 21 23.039 0.016 -11.753 155 HA3 GLY 21 HA3 GLY 21 22.356 0.760 -13.191 156 H SER 22 H SER 22 21.838 2.308 -11.299 157 HA SER 22 HA SER 22 19.413 1.517 -9.872 158 HB2 SER 22 HB2 SER 22 21.300 3.853 -9.606 159 HB3 SER 22 HB3 SER 22 19.740 3.818 -8.783 160 HG SER 22 HG SER 22 22.040 2.327 -8.315 161 H TYR 23 H TYR 23 19.523 2.073 -12.794 162 HA TYR 23 HA TYR 23 18.396 4.553 -13.421 163 HB2 TYR 23 HB2 TYR 23 19.328 2.839 -15.034 164 HB3 TYR 23 HB3 TYR 23 17.808 1.967 -14.865 165 HD1 TYR 23 HD1 TYR 23 16.902 5.267 -14.553 166 HD2 TYR 23 HD2 TYR 23 18.282 2.530 -17.504 167 HE1 TYR 23 HE1 TYR 23 15.904 6.668 -16.311 168 HE2 TYR 23 HE2 TYR 23 17.290 3.924 -19.270 169 HH TYR 23 HH TYR 23 16.618 6.821 -19.168 170 H CYS 24 H CYS 24 16.639 1.449 -13.339 171 HA CYS 24 HA CYS 24 14.092 2.676 -13.208 172 HB2 CYS 24 HB2 CYS 24 15.101 -0.122 -12.810 173 HB3 CYS 24 HB3 CYS 24 13.429 0.274 -12.428 174 H ASN 25 H ASN 25 16.292 1.412 -10.768 175 HA ASN 25 HA ASN 25 14.588 1.415 -8.564 176 HB2 ASN 25 HB2 ASN 25 17.117 0.676 -8.874 177 HB3 ASN 25 HB3 ASN 25 17.424 2.276 -8.205 178 HD21 ASN 25 HD21 ASN 25 16.843 2.722 -6.090 179 HD22 ASN 25 HD22 ASN 25 16.447 1.476 -4.960 180 H ASP 26 H ASP 26 16.899 3.970 -9.497 181 HA ASP 26 HA ASP 26 16.095 5.866 -7.627 182 HB2 ASP 26 HB2 ASP 26 17.450 6.025 -10.292 183 HB3 ASP 26 HB3 ASP 26 16.947 7.511 -9.492 184 H LEU 27 H LEU 27 15.072 5.565 -11.028 185 HA LEU 27 HA LEU 27 13.215 7.652 -11.012 186 HB2 LEU 27 HB2 LEU 27 13.613 6.980 -13.138 187 HB3 LEU 27 HB3 LEU 27 13.738 5.279 -12.691 188 HG LEU 27 HG LEU 27 11.291 5.134 -12.588 189 HD11 LEU 27 HD11 LEU 27 10.980 7.765 -13.913 190 HD12 LEU 27 HD12 LEU 27 11.234 7.758 -12.168 191 HD13 LEU 27 HD13 LEU 27 9.871 6.882 -12.864 192 HD21 LEU 27 HD21 LEU 27 11.768 6.362 -15.240 193 HD22 LEU 27 HD22 LEU 27 11.066 4.799 -14.821 194 HD23 LEU 27 HD23 LEU 27 12.816 5.022 -14.772 195 H CYS 28 H CYS 28 12.917 4.290 -10.039 196 HA CYS 28 HA CYS 28 10.109 4.205 -9.808 197 HB2 CYS 28 HB2 CYS 28 12.384 2.575 -8.803 198 HB3 CYS 28 HB3 CYS 28 10.837 2.384 -7.985 199 H THR 29 H THR 29 12.569 4.546 -7.245 200 HA THR 29 HA THR 29 10.746 5.145 -5.191 201 HB THR 29 HB THR 29 12.557 5.472 -3.821 202 HG1 THR 29 HG1 THR 29 13.800 6.701 -6.064 203 HG21 THR 29 HG21 THR 29 13.848 3.684 -4.245 204 HG22 THR 29 HG22 THR 29 14.413 4.343 -5.780 205 HG23 THR 29 HG23 THR 29 12.869 3.496 -5.699 206 H GLU 30 H GLU 30 12.230 7.124 -7.640 207 HA GLU 30 HA GLU 30 11.994 9.655 -6.527 208 HB2 GLU 30 HB2 GLU 30 12.983 8.881 -8.808 209 HB3 GLU 30 HB3 GLU 30 11.361 9.174 -9.420 210 HG2 GLU 30 HG2 GLU 30 11.474 11.483 -8.771 211 HG3 GLU 30 HG3 GLU 30 13.028 11.223 -7.980 212 H ASN 31 H ASN 31 9.542 7.479 -7.528 213 HA ASN 31 HA ASN 31 7.519 9.606 -7.542 214 HB2 ASN 31 HB2 ASN 31 7.353 6.715 -8.420 215 HB3 ASN 31 HB3 ASN 31 6.008 7.851 -8.460 216 HD21 ASN 31 HD21 ASN 31 9.405 7.724 -9.487 217 HD22 ASN 31 HD22 ASN 31 9.132 8.409 -11.050 218 H GLY 32 H GLY 32 8.908 8.382 -5.154 219 HA2 GLY 32 HA2 GLY 32 8.022 8.334 -2.959 220 HA3 GLY 32 HA3 GLY 32 6.455 7.906 -3.628 221 H ALA 33 H ALA 33 8.214 5.917 -5.321 222 HA ALA 33 HA ALA 33 7.559 3.618 -3.848 223 HB1 ALA 33 HB1 ALA 33 8.323 4.102 -6.413 224 HB2 ALA 33 HB2 ALA 33 9.756 3.305 -5.762 225 HB3 ALA 33 HB3 ALA 33 8.188 2.500 -5.687 226 H GLU 34 H GLU 34 9.097 1.958 -3.081 227 HA GLU 34 HA GLU 34 11.126 3.205 -1.407 228 HB2 GLU 34 HB2 GLU 34 9.331 1.359 -0.764 229 HB3 GLU 34 HB3 GLU 34 10.587 0.272 -1.339 230 HG2 GLU 34 HG2 GLU 34 10.805 0.512 1.024 231 HG3 GLU 34 HG3 GLU 34 12.164 1.325 0.250 232 H SER 35 H SER 35 10.863 1.073 -4.150 233 HA SER 35 HA SER 35 13.652 1.370 -4.741 234 HB2 SER 35 HB2 SER 35 12.661 -1.428 -4.153 235 HB3 SER 35 HB3 SER 35 14.290 -0.961 -4.639 236 HG SER 35 HG SER 35 12.977 -0.537 -2.184 237 H GLY 36 H GLY 36 14.170 -0.279 -6.668 238 HA2 GLY 36 HA2 GLY 36 11.955 -0.956 -8.348 239 HA3 GLY 36 HA3 GLY 36 12.735 0.530 -8.869 240 H TYR 37 H TYR 37 12.609 -1.769 -10.457 241 HA TYR 37 HA TYR 37 15.393 -2.119 -11.043 242 HB2 TYR 37 HB2 TYR 37 15.549 -4.494 -10.740 243 HB3 TYR 37 HB3 TYR 37 14.998 -3.798 -9.220 244 HD1 TYR 37 HD1 TYR 37 13.584 -5.254 -12.361 245 HD2 TYR 37 HD2 TYR 37 13.228 -4.816 -8.143 246 HE1 TYR 37 HE1 TYR 37 11.653 -6.777 -12.371 247 HE2 TYR 37 HE2 TYR 37 11.297 -6.339 -8.142 248 HH TYR 37 HH TYR 37 9.481 -7.008 -10.051 249 H CYS 38 H CYS 38 15.759 -3.080 -13.088 250 HA CYS 38 HA CYS 38 13.554 -2.740 -14.912 251 HB2 CYS 38 HB2 CYS 38 16.121 -2.195 -15.223 252 HB3 CYS 38 HB3 CYS 38 16.186 -3.866 -15.772 253 H GLN 39 H GLN 39 12.166 -4.282 -15.432 254 HA GLN 39 HA GLN 39 12.957 -7.087 -15.056 255 HB2 GLN 39 HB2 GLN 39 10.838 -5.906 -13.978 256 HB3 GLN 39 HB3 GLN 39 10.121 -6.301 -15.534 257 HG2 GLN 39 HG2 GLN 39 11.565 -8.436 -14.057 258 HG3 GLN 39 HG3 GLN 39 9.970 -7.944 -13.491 259 HE21 GLN 39 HE21 GLN 39 9.431 -10.176 -14.035 260 HE22 GLN 39 HE22 GLN 39 8.985 -10.553 -15.660 261 H ILE 40 H ILE 40 13.698 -7.954 -16.882 262 HA ILE 40 HA ILE 40 12.780 -7.060 -19.468 263 HB ILE 40 HB ILE 40 14.772 -7.785 -20.120 264 HG12 ILE 40 HG12 ILE 40 15.306 -10.255 -20.039 265 HG13 ILE 40 HG13 ILE 40 13.793 -10.480 -19.167 266 HG21 ILE 40 HG21 ILE 40 16.402 -8.539 -18.554 267 HG22 ILE 40 HG22 ILE 40 15.344 -7.407 -17.712 268 HG23 ILE 40 HG23 ILE 40 15.157 -9.142 -17.461 269 HD11 ILE 40 HD11 ILE 40 14.245 -10.296 -21.973 270 HD12 ILE 40 HD12 ILE 40 12.751 -10.650 -21.105 271 HD13 ILE 40 HD13 ILE 40 13.186 -8.980 -21.465 272 H LEU 41 H LEU 41 12.351 -9.863 -17.391 273 HA LEU 41 HA LEU 41 10.913 -11.374 -19.370 274 HB2 LEU 41 HB2 LEU 41 11.137 -11.788 -16.392 275 HB3 LEU 41 HB3 LEU 41 10.488 -12.948 -17.550 276 HG LEU 41 HG LEU 41 13.253 -12.044 -18.047 277 HD11 LEU 41 HD11 LEU 41 12.774 -12.480 -15.460 278 HD12 LEU 41 HD12 LEU 41 14.275 -12.965 -16.248 279 HD13 LEU 41 HD13 LEU 41 12.995 -14.149 -15.985 280 HD21 LEU 41 HD21 LEU 41 11.658 -14.571 -18.227 281 HD22 LEU 41 HD22 LEU 41 13.420 -14.612 -18.291 282 HD23 LEU 41 HD23 LEU 41 12.515 -13.697 -19.497 283 H GLY 42 H GLY 42 9.713 -8.951 -19.277 284 HA2 GLY 42 HA2 GLY 42 7.343 -9.234 -17.570 285 HA3 GLY 42 HA3 GLY 42 7.820 -7.781 -18.436 286 H LYS 43 H LYS 43 5.317 -8.200 -18.757 287 HA LYS 43 HA LYS 43 4.720 -10.028 -20.914 288 HB2 LYS 43 HB2 LYS 43 2.728 -9.922 -19.907 289 HB3 LYS 43 HB3 LYS 43 3.228 -8.532 -18.952 290 HG2 LYS 43 HG2 LYS 43 2.553 -7.022 -20.688 291 HG3 LYS 43 HG3 LYS 43 2.215 -8.365 -21.782 292 HD2 LYS 43 HD2 LYS 43 0.782 -7.786 -19.189 293 HD3 LYS 43 HD3 LYS 43 0.156 -7.478 -20.811 294 HE2 LYS 43 HE2 LYS 43 0.453 -9.950 -21.250 295 HE3 LYS 43 HE3 LYS 43 0.747 -10.133 -19.522 296 HZ1 LYS 43 HZ1 LYS 43 -1.653 -8.674 -20.288 297 HZ2 LYS 43 HZ2 LYS 43 -1.409 -9.769 -19.023 298 HZ3 LYS 43 HZ3 LYS 43 -1.656 -10.338 -20.597 299 H TYR 44 H TYR 44 5.492 -6.669 -20.524 300 HA TYR 44 HA TYR 44 4.957 -6.221 -23.387 301 HB2 TYR 44 HB2 TYR 44 5.359 -3.948 -21.489 302 HB3 TYR 44 HB3 TYR 44 4.399 -4.018 -22.962 303 HD1 TYR 44 HD1 TYR 44 2.145 -4.976 -22.934 304 HD2 TYR 44 HD2 TYR 44 4.442 -4.641 -19.368 305 HE1 TYR 44 HE1 TYR 44 0.114 -5.346 -21.598 306 HE2 TYR 44 HE2 TYR 44 2.417 -5.011 -18.022 307 HH TYR 44 HH TYR 44 -0.259 -4.580 -18.569 308 H GLY 45 H GLY 45 7.359 -7.393 -22.033 309 HA2 GLY 45 HA2 GLY 45 9.564 -7.352 -22.882 310 HA3 GLY 45 HA3 GLY 45 9.317 -5.683 -23.377 311 H ASN 46 H ASN 46 10.876 -4.565 -22.380 312 HA ASN 46 HA ASN 46 11.545 -5.164 -19.606 313 HB2 ASN 46 HB2 ASN 46 12.856 -3.716 -21.841 314 HB3 ASN 46 HB3 ASN 46 13.187 -3.121 -20.217 315 HD21 ASN 46 HD21 ASN 46 14.119 -4.571 -18.689 316 HD22 ASN 46 HD22 ASN 46 15.072 -5.908 -19.225 317 H ALA 47 H ALA 47 10.275 -4.256 -18.124 318 HA ALA 47 HA ALA 47 9.582 -1.410 -18.450 319 HB1 ALA 47 HB1 ALA 47 7.812 -3.332 -16.979 320 HB2 ALA 47 HB2 ALA 47 7.423 -1.740 -17.632 321 HB3 ALA 47 HB3 ALA 47 7.672 -3.104 -18.722 322 H CYS 48 H CYS 48 9.823 -0.105 -16.686 323 HA CYS 48 HA CYS 48 11.604 -0.930 -14.651 324 HB2 CYS 48 HB2 CYS 48 10.048 1.543 -15.249 325 HB3 CYS 48 HB3 CYS 48 10.705 1.354 -13.626 326 H TRP 49 H TRP 49 11.084 -2.288 -13.073 327 HA TRP 49 HA TRP 49 8.359 -2.321 -12.020 328 HB2 TRP 49 HB2 TRP 49 9.347 -4.473 -12.630 329 HB3 TRP 49 HB3 TRP 49 10.691 -4.186 -11.529 330 HD1 TRP 49 HD1 TRP 49 10.186 -4.399 -8.893 331 HE1 TRP 49 HE1 TRP 49 8.327 -5.637 -7.612 332 HE3 TRP 49 HE3 TRP 49 6.901 -5.134 -12.741 333 HZ2 TRP 49 HZ2 TRP 49 5.802 -6.774 -8.162 334 HZ3 TRP 49 HZ3 TRP 49 4.787 -6.306 -12.279 335 HH2 TRP 49 HH2 TRP 49 4.251 -7.109 -10.037 336 H CYS 50 H CYS 50 7.905 -1.069 -10.343 337 HA CYS 50 HA CYS 50 10.045 -0.284 -8.507 338 HB2 CYS 50 HB2 CYS 50 7.219 0.779 -8.644 339 HB3 CYS 50 HB3 CYS 50 8.580 1.487 -7.780 340 H ILE 51 H ILE 51 9.980 -0.670 -6.321 341 HA ILE 51 HA ILE 51 7.957 -2.620 -5.439 342 HB ILE 51 HB ILE 51 10.803 -2.217 -4.526 343 HG12 ILE 51 HG12 ILE 51 10.739 -4.770 -5.114 344 HG13 ILE 51 HG13 ILE 51 9.322 -4.327 -6.060 345 HG21 ILE 51 HG21 ILE 51 10.421 -3.986 -2.899 346 HG22 ILE 51 HG22 ILE 51 9.353 -2.617 -2.593 347 HG23 ILE 51 HG23 ILE 51 8.723 -4.070 -3.369 348 HD11 ILE 51 HD11 ILE 51 12.017 -3.035 -6.372 349 HD12 ILE 51 HD12 ILE 51 11.445 -4.391 -7.344 350 HD13 ILE 51 HD13 ILE 51 10.606 -2.842 -7.411 351 H GLN 52 H GLN 52 6.785 -2.252 -3.626 352 HA GLN 52 HA GLN 52 5.858 -1.151 -1.863 353 HB2 GLN 52 HB2 GLN 52 8.714 -0.299 -1.694 354 HB3 GLN 52 HB3 GLN 52 7.529 0.538 -0.700 355 HG2 GLN 52 HG2 GLN 52 7.785 -2.450 -0.706 356 HG3 GLN 52 HG3 GLN 52 8.752 -1.419 0.348 357 HE21 GLN 52 HE21 GLN 52 6.000 -3.204 0.154 358 HE22 GLN 52 HE22 GLN 52 5.091 -2.474 1.429 359 H LEU 53 H LEU 53 5.366 -0.155 -4.409 360 HA LEU 53 HA LEU 53 5.640 2.728 -4.333 361 HB2 LEU 53 HB2 LEU 53 5.766 1.264 -6.416 362 HB3 LEU 53 HB3 LEU 53 4.013 1.132 -6.291 363 HG LEU 53 HG LEU 53 3.908 3.634 -6.460 364 HD11 LEU 53 HD11 LEU 53 5.774 4.895 -7.110 365 HD12 LEU 53 HD12 LEU 53 6.738 3.457 -7.444 366 HD13 LEU 53 HD13 LEU 53 6.348 3.888 -5.780 367 HD21 LEU 53 HD21 LEU 53 5.281 2.568 -8.886 368 HD22 LEU 53 HD22 LEU 53 3.841 3.579 -8.760 369 HD23 LEU 53 HD23 LEU 53 3.749 1.860 -8.372 370 HA PRO 54 HA PRO 54 1.822 3.445 -2.234 371 HB2 PRO 54 HB2 PRO 54 1.531 6.066 -2.879 372 HB3 PRO 54 HB3 PRO 54 2.698 5.496 -1.680 373 HG2 PRO 54 HG2 PRO 54 3.135 6.230 -4.549 374 HG3 PRO 54 HG3 PRO 54 4.124 6.622 -3.131 375 HD2 PRO 54 HD2 PRO 54 4.758 4.621 -4.841 376 HD3 PRO 54 HD3 PRO 54 5.136 4.552 -3.107 377 H ASP 55 H ASP 55 -0.354 3.575 -2.680 378 HA ASP 55 HA ASP 55 -1.207 2.925 -5.291 379 HB2 ASP 55 HB2 ASP 55 -2.795 3.844 -2.885 380 HB3 ASP 55 HB3 ASP 55 -3.503 3.192 -4.360 381 H ASN 56 H ASN 56 -0.243 5.845 -4.076 382 HA ASN 56 HA ASN 56 -2.165 7.536 -5.392 383 HB2 ASN 56 HB2 ASN 56 0.557 8.323 -4.343 384 HB3 ASN 56 HB3 ASN 56 -0.827 9.374 -4.627 385 HD21 ASN 56 HD21 ASN 56 -2.642 7.284 -3.531 386 HD22 ASN 56 HD22 ASN 56 -2.468 7.401 -1.816 387 H VAL 57 H VAL 57 0.933 6.124 -6.144 388 HA VAL 57 HA VAL 57 1.297 7.755 -8.516 389 HB VAL 57 HB VAL 57 2.904 5.333 -7.712 390 HG11 VAL 57 HG11 VAL 57 4.641 6.319 -9.072 391 HG12 VAL 57 HG12 VAL 57 3.166 6.159 -10.027 392 HG13 VAL 57 HG13 VAL 57 3.636 7.733 -9.385 393 HG21 VAL 57 HG21 VAL 57 4.142 6.533 -6.238 394 HG22 VAL 57 HG22 VAL 57 3.900 8.053 -7.100 395 HG23 VAL 57 HG23 VAL 57 2.626 7.416 -6.061 396 HA PRO 58 HA PRO 58 -0.943 5.053 -11.197 397 HB2 PRO 58 HB2 PRO 58 0.053 5.960 -13.554 398 HB3 PRO 58 HB3 PRO 58 -1.130 6.863 -12.600 399 HG2 PRO 58 HG2 PRO 58 1.839 7.212 -12.759 400 HG3 PRO 58 HG3 PRO 58 0.567 8.447 -12.746 401 HD2 PRO 58 HD2 PRO 58 2.009 7.819 -10.542 402 HD3 PRO 58 HD3 PRO 58 0.316 8.345 -10.457 403 H ILE 59 H ILE 59 -0.633 3.096 -12.139 404 HA ILE 59 HA ILE 59 2.154 2.249 -12.595 405 HB ILE 59 HB ILE 59 1.435 -0.048 -12.033 406 HG12 ILE 59 HG12 ILE 59 -1.044 0.979 -10.746 407 HG13 ILE 59 HG13 ILE 59 -1.080 0.744 -12.490 408 HG21 ILE 59 HG21 ILE 59 2.513 1.060 -10.282 409 HG22 ILE 59 HG22 ILE 59 1.145 2.136 -9.999 410 HG23 ILE 59 HG23 ILE 59 1.036 0.435 -9.548 411 HD11 ILE 59 HD11 ILE 59 -1.496 -1.167 -10.506 412 HD12 ILE 59 HD12 ILE 59 -1.336 -1.437 -12.242 413 HD13 ILE 59 HD13 ILE 59 0.082 -1.539 -11.198 414 H ARG 60 H ARG 60 2.474 0.613 -14.239 415 HA ARG 60 HA ARG 60 1.063 1.202 -16.629 416 HB2 ARG 60 HB2 ARG 60 3.262 0.605 -17.031 417 HB3 ARG 60 HB3 ARG 60 3.231 -0.704 -15.857 418 HG2 ARG 60 HG2 ARG 60 3.381 -1.478 -18.197 419 HG3 ARG 60 HG3 ARG 60 1.958 -2.087 -17.348 420 HD2 ARG 60 HD2 ARG 60 0.507 -0.770 -18.556 421 HD3 ARG 60 HD3 ARG 60 1.741 0.433 -18.926 422 HE ARG 60 HE ARG 60 2.574 -1.799 -20.243 423 HH11 ARG 60 HH11 ARG 60 -0.374 0.052 -20.195 424 HH12 ARG 60 HH12 ARG 60 -0.785 -0.316 -21.837 425 HH21 ARG 60 HH21 ARG 60 2.044 -2.290 -22.406 426 HH22 ARG 60 HH22 ARG 60 0.591 -1.649 -23.094 427 H ILE 61 H ILE 61 -0.866 0.466 -17.192 428 HA ILE 61 HA ILE 61 -1.645 -2.245 -16.336 429 HB ILE 61 HB ILE 61 -4.052 -1.147 -16.666 430 HG12 ILE 61 HG12 ILE 61 -3.942 1.140 -15.538 431 HG13 ILE 61 HG13 ILE 61 -2.221 1.129 -15.908 432 HG21 ILE 61 HG21 ILE 61 -4.099 -1.904 -14.580 433 HG22 ILE 61 HG22 ILE 61 -2.345 -1.772 -14.455 434 HG23 ILE 61 HG23 ILE 61 -3.364 -0.392 -14.048 435 HD11 ILE 61 HD11 ILE 61 -3.804 0.500 -18.236 436 HD12 ILE 61 HD12 ILE 61 -4.265 2.048 -17.527 437 HD13 ILE 61 HD13 ILE 61 -2.590 1.757 -17.998 438 HA PRO 62 HA PRO 62 -2.519 -3.263 -20.514 439 HB2 PRO 62 HB2 PRO 62 -4.769 -4.766 -20.291 440 HB3 PRO 62 HB3 PRO 62 -3.179 -5.335 -19.772 441 HG2 PRO 62 HG2 PRO 62 -5.406 -4.185 -18.135 442 HG3 PRO 62 HG3 PRO 62 -4.364 -5.577 -17.786 443 HD2 PRO 62 HD2 PRO 62 -3.959 -3.140 -16.678 444 HD3 PRO 62 HD3 PRO 62 -2.627 -4.252 -17.052 445 H GLY 63 H GLY 63 -3.054 -0.853 -20.774 446 HA2 GLY 63 HA2 GLY 63 -5.830 -0.662 -21.745 447 HA3 GLY 63 HA3 GLY 63 -5.149 0.626 -20.762 448 H LYS 64 H LYS 64 -5.950 1.692 -22.885 449 HA LYS 64 HA LYS 64 -4.099 1.459 -25.101 450 HB2 LYS 64 HB2 LYS 64 -6.622 2.982 -24.583 451 HB3 LYS 64 HB3 LYS 64 -5.556 3.509 -25.879 452 HG2 LYS 64 HG2 LYS 64 -7.119 2.108 -26.907 453 HG3 LYS 64 HG3 LYS 64 -5.668 1.118 -26.735 454 HD2 LYS 64 HD2 LYS 64 -7.275 -0.341 -25.981 455 HD3 LYS 64 HD3 LYS 64 -6.793 0.425 -24.465 456 HE2 LYS 64 HE2 LYS 64 -9.030 1.579 -26.078 457 HE3 LYS 64 HE3 LYS 64 -9.320 0.170 -25.058 458 HZ1 LYS 64 HZ1 LYS 64 -8.697 2.922 -24.295 459 HZ2 LYS 64 HZ2 LYS 64 -8.091 1.687 -23.312 460 HZ3 LYS 64 HZ3 LYS 64 -9.757 1.815 -23.578 461 H CYS 65 H CYS 65 -2.202 2.452 -25.071 462 HA CYS 65 HA CYS 65 -1.829 4.821 -23.404 463 HB2 CYS 65 HB2 CYS 65 -0.128 3.207 -23.064 464 HB3 CYS 65 HB3 CYS 65 0.077 2.944 -24.792 465 H HIS 66 H HIS 66 -0.625 6.666 -24.260 466 HA HIS 66 HA HIS 66 -0.644 8.452 -25.695 467 HB2 HIS 66 HB2 HIS 66 0.507 8.016 -27.816 468 HB3 HIS 66 HB3 HIS 66 1.300 7.178 -26.486 469 HD1 HIS 66 HD1 HIS 66 -0.664 6.571 -29.605 470 HD2 HIS 66 HD2 HIS 66 1.191 4.380 -26.602 471 HE1 HIS 66 HE1 HIS 66 -0.603 4.201 -30.442 Start of MODEL 7 1 H ALA 1 H ALA 1 1.853 0.577 0.600 2 HA ALA 1 HA ALA 1 1.627 0.952 -2.226 3 HB1 ALA 1 HB1 ALA 1 4.045 0.402 -0.510 4 HB2 ALA 1 HB2 ALA 1 4.086 0.881 -2.207 5 HB3 ALA 1 HB3 ALA 1 3.439 1.986 -0.995 6 H ARG 2 H ARG 2 2.906 -0.442 -3.764 7 HA ARG 2 HA ARG 2 3.109 -3.245 -3.054 8 HB2 ARG 2 HB2 ARG 2 1.659 -3.896 -5.030 9 HB3 ARG 2 HB3 ARG 2 0.811 -3.259 -3.628 10 HG2 ARG 2 HG2 ARG 2 1.075 -0.984 -4.937 11 HG3 ARG 2 HG3 ARG 2 1.189 -2.073 -6.321 12 HD2 ARG 2 HD2 ARG 2 -0.936 -3.126 -5.609 13 HD3 ARG 2 HD3 ARG 2 -1.057 -1.937 -4.313 14 HE ARG 2 HE ARG 2 -0.765 -0.518 -6.674 15 HH11 ARG 2 HH11 ARG 2 -3.046 -2.742 -5.270 16 HH12 ARG 2 HH12 ARG 2 -4.409 -2.078 -6.108 17 HH21 ARG 2 HH21 ARG 2 -2.551 0.366 -7.784 18 HH22 ARG 2 HH22 ARG 2 -4.126 -0.311 -7.539 19 H ASP 3 H ASP 3 3.795 -4.541 -5.067 20 HA ASP 3 HA ASP 3 5.854 -2.968 -6.437 21 HB2 ASP 3 HB2 ASP 3 5.576 -5.971 -6.189 22 HB3 ASP 3 HB3 ASP 3 6.943 -5.111 -6.892 23 H ALA 4 H ALA 4 5.795 -2.595 -8.564 24 HA ALA 4 HA ALA 4 4.646 -4.299 -10.488 25 HB1 ALA 4 HB1 ALA 4 2.868 -2.256 -9.308 26 HB2 ALA 4 HB2 ALA 4 2.839 -2.408 -11.065 27 HB3 ALA 4 HB3 ALA 4 2.481 -3.808 -10.054 28 H TYR 5 H TYR 5 4.160 -2.859 -12.599 29 HA TYR 5 HA TYR 5 6.648 -1.461 -13.079 30 HB2 TYR 5 HB2 TYR 5 4.394 -1.874 -15.042 31 HB3 TYR 5 HB3 TYR 5 6.092 -1.573 -15.394 32 HD1 TYR 5 HD1 TYR 5 3.613 -4.080 -14.458 33 HD2 TYR 5 HD2 TYR 5 7.750 -3.359 -15.141 34 HE1 TYR 5 HE1 TYR 5 4.008 -6.504 -14.580 35 HE2 TYR 5 HE2 TYR 5 8.157 -5.782 -15.266 36 HH TYR 5 HH TYR 5 5.599 -8.112 -14.590 37 H ILE 6 H ILE 6 6.916 0.681 -13.367 38 HA ILE 6 HA ILE 6 4.869 2.456 -12.478 39 HB ILE 6 HB ILE 6 7.113 3.060 -11.965 40 HG12 ILE 6 HG12 ILE 6 6.589 4.996 -14.177 41 HG13 ILE 6 HG13 ILE 6 5.372 4.823 -12.916 42 HG21 ILE 6 HG21 ILE 6 8.640 3.705 -13.967 43 HG22 ILE 6 HG22 ILE 6 8.483 2.013 -13.499 44 HG23 ILE 6 HG23 ILE 6 7.583 2.631 -14.884 45 HD11 ILE 6 HD11 ILE 6 6.627 5.880 -11.389 46 HD12 ILE 6 HD12 ILE 6 8.129 5.156 -11.963 47 HD13 ILE 6 HD13 ILE 6 7.439 6.542 -12.808 48 H ALA 7 H ALA 7 3.462 3.661 -13.608 49 HA ALA 7 HA ALA 7 3.348 3.263 -16.495 50 HB1 ALA 7 HB1 ALA 7 1.417 3.612 -14.422 51 HB2 ALA 7 HB2 ALA 7 1.198 4.874 -15.636 52 HB3 ALA 7 HB3 ALA 7 1.165 3.176 -16.112 53 H LYS 8 H LYS 8 3.425 4.898 -17.999 54 HA LYS 8 HA LYS 8 4.326 7.518 -16.994 55 HB2 LYS 8 HB2 LYS 8 6.034 7.479 -18.443 56 HB3 LYS 8 HB3 LYS 8 5.674 5.772 -18.667 57 HG2 LYS 8 HG2 LYS 8 4.004 6.618 -20.460 58 HG3 LYS 8 HG3 LYS 8 4.965 8.097 -20.401 59 HD2 LYS 8 HD2 LYS 8 6.138 5.357 -20.848 60 HD3 LYS 8 HD3 LYS 8 5.666 6.445 -22.156 61 HE2 LYS 8 HE2 LYS 8 7.654 7.119 -19.990 62 HE3 LYS 8 HE3 LYS 8 8.084 6.542 -21.600 63 HZ1 LYS 8 HZ1 LYS 8 6.890 8.498 -22.504 64 HZ2 LYS 8 HZ2 LYS 8 8.246 8.904 -21.578 65 HZ3 LYS 8 HZ3 LYS 8 6.695 9.075 -20.925 66 HA PRO 9 HA PRO 9 1.112 9.612 -19.125 67 HB2 PRO 9 HB2 PRO 9 2.375 11.678 -20.352 68 HB3 PRO 9 HB3 PRO 9 2.139 11.600 -18.602 69 HG2 PRO 9 HG2 PRO 9 4.566 10.922 -20.218 70 HG3 PRO 9 HG3 PRO 9 4.453 11.814 -18.690 71 HD2 PRO 9 HD2 PRO 9 5.178 9.207 -18.805 72 HD3 PRO 9 HD3 PRO 9 4.280 9.889 -17.434 73 H HIS 10 H HIS 10 0.814 8.286 -22.328 74 HA HIS 10 HA HIS 10 0.319 8.389 -19.429 75 HB2 HIS 10 HB2 HIS 10 -1.473 9.170 -21.670 76 HB3 HIS 10 HB3 HIS 10 -2.205 8.301 -20.324 77 HD1 HIS 10 HD1 HIS 10 -3.255 9.916 -18.790 78 HD2 HIS 10 HD2 HIS 10 0.306 11.379 -20.353 79 HE1 HIS 10 HE1 HIS 10 -2.928 12.170 -17.724 80 H ASN 11 H ASN 11 -0.083 6.474 -18.513 81 HA ASN 11 HA ASN 11 -0.379 4.234 -18.256 82 HB2 ASN 11 HB2 ASN 11 -2.635 4.753 -19.092 83 HB3 ASN 11 HB3 ASN 11 -2.072 4.535 -20.747 84 HD21 ASN 11 HD21 ASN 11 -4.196 3.121 -19.589 85 HD22 ASN 11 HD22 ASN 11 -3.756 1.452 -19.509 86 H CYS 12 H CYS 12 2.016 4.544 -19.099 87 HA CYS 12 HA CYS 12 2.393 2.467 -21.129 88 HB2 CYS 12 HB2 CYS 12 4.255 4.797 -21.190 89 HB3 CYS 12 HB3 CYS 12 3.782 3.705 -22.488 90 H VAL 13 H VAL 13 4.490 1.444 -21.046 91 HA VAL 13 HA VAL 13 5.459 1.235 -18.325 92 HB VAL 13 HB VAL 13 6.556 -0.727 -18.963 93 HG11 VAL 13 HG11 VAL 13 4.918 -2.012 -20.252 94 HG12 VAL 13 HG12 VAL 13 4.131 -0.964 -19.069 95 HG13 VAL 13 HG13 VAL 13 4.153 -0.512 -20.774 96 HG21 VAL 13 HG21 VAL 13 6.515 -1.075 -21.675 97 HG22 VAL 13 HG22 VAL 13 6.850 0.650 -21.526 98 HG23 VAL 13 HG23 VAL 13 7.906 -0.524 -20.740 99 H TYR 14 H TYR 14 7.583 1.582 -17.651 100 HA TYR 14 HA TYR 14 9.023 3.566 -19.239 101 HB2 TYR 14 HB2 TYR 14 8.915 2.837 -16.357 102 HB3 TYR 14 HB3 TYR 14 10.429 3.499 -16.963 103 HD1 TYR 14 HD1 TYR 14 6.972 4.213 -16.102 104 HD2 TYR 14 HD2 TYR 14 10.496 5.788 -17.892 105 HE1 TYR 14 HE1 TYR 14 6.050 6.485 -15.905 106 HE2 TYR 14 HE2 TYR 14 9.584 8.064 -17.699 107 HH TYR 14 HH TYR 14 6.902 8.815 -15.796 108 H GLU 15 H GLU 15 10.254 2.557 -20.734 109 HA GLU 15 HA GLU 15 11.552 0.081 -20.372 110 HB2 GLU 15 HB2 GLU 15 12.493 0.412 -22.486 111 HB3 GLU 15 HB3 GLU 15 10.985 1.313 -22.559 112 HG2 GLU 15 HG2 GLU 15 12.284 3.373 -22.003 113 HG3 GLU 15 HG3 GLU 15 13.755 2.417 -22.180 114 H CYS 16 H CYS 16 13.348 -0.429 -19.315 115 HA CYS 16 HA CYS 16 15.080 1.744 -18.370 116 HB2 CYS 16 HB2 CYS 16 15.978 -0.313 -16.951 117 HB3 CYS 16 HB3 CYS 16 14.538 0.579 -16.470 118 H TYR 17 H TYR 17 17.181 1.887 -18.931 119 HA TYR 17 HA TYR 17 18.233 -0.197 -20.730 120 HB2 TYR 17 HB2 TYR 17 17.782 2.206 -21.607 121 HB3 TYR 17 HB3 TYR 17 19.234 2.636 -20.710 122 HD1 TYR 17 HD1 TYR 17 21.167 2.724 -21.951 123 HD2 TYR 17 HD2 TYR 17 18.158 -0.072 -23.062 124 HE1 TYR 17 HE1 TYR 17 22.558 1.988 -23.842 125 HE2 TYR 17 HE2 TYR 17 19.541 -0.816 -24.955 126 HH TYR 17 HH TYR 17 22.682 0.691 -25.641 127 H ASN 18 H ASN 18 18.405 0.046 -17.757 128 HA ASN 18 HA ASN 18 21.249 -0.461 -17.559 129 HB2 ASN 18 HB2 ASN 18 20.633 2.078 -17.092 130 HB3 ASN 18 HB3 ASN 18 20.185 1.437 -15.514 131 HD21 ASN 18 HD21 ASN 18 22.297 -0.695 -15.943 132 HD22 ASN 18 HD22 ASN 18 23.774 0.095 -15.520 133 HA PRO 19 HA PRO 19 18.519 -3.189 -14.979 134 HB2 PRO 19 HB2 PRO 19 19.656 -5.508 -15.815 135 HB3 PRO 19 HB3 PRO 19 18.328 -4.723 -16.679 136 HG2 PRO 19 HG2 PRO 19 21.265 -4.650 -17.251 137 HG3 PRO 19 HG3 PRO 19 19.910 -4.832 -18.380 138 HD2 PRO 19 HD2 PRO 19 21.188 -2.474 -18.007 139 HD3 PRO 19 HD3 PRO 19 19.460 -2.572 -18.401 140 H LYS 20 H LYS 20 21.929 -2.768 -15.428 141 HA LYS 20 HA LYS 20 22.572 -4.260 -13.001 142 HB2 LYS 20 HB2 LYS 20 24.318 -2.885 -15.049 143 HB3 LYS 20 HB3 LYS 20 24.938 -3.695 -13.616 144 HG2 LYS 20 HG2 LYS 20 23.671 -5.755 -14.493 145 HG3 LYS 20 HG3 LYS 20 23.619 -4.880 -16.026 146 HD2 LYS 20 HD2 LYS 20 26.074 -4.680 -15.966 147 HD3 LYS 20 HD3 LYS 20 26.099 -5.610 -14.466 148 HE2 LYS 20 HE2 LYS 20 25.152 -6.554 -17.169 149 HE3 LYS 20 HE3 LYS 20 26.615 -7.060 -16.326 150 HZ1 LYS 20 HZ1 LYS 20 25.099 -7.883 -14.522 151 HZ2 LYS 20 HZ2 LYS 20 25.023 -8.740 -15.978 152 HZ3 LYS 20 HZ3 LYS 20 23.806 -7.634 -15.583 153 H GLY 21 H GLY 21 22.122 -1.020 -14.121 154 HA2 GLY 21 HA2 GLY 21 23.430 0.118 -11.765 155 HA3 GLY 21 HA3 GLY 21 22.787 1.017 -13.132 156 H SER 22 H SER 22 22.089 2.215 -11.019 157 HA SER 22 HA SER 22 19.610 1.109 -9.936 158 HB2 SER 22 HB2 SER 22 19.771 2.744 -8.214 159 HB3 SER 22 HB3 SER 22 21.410 2.142 -8.460 160 HG SER 22 HG SER 22 21.888 3.990 -9.624 161 H TYR 23 H TYR 23 19.891 2.156 -12.706 162 HA TYR 23 HA TYR 23 18.754 4.663 -13.051 163 HB2 TYR 23 HB2 TYR 23 19.702 3.379 -14.901 164 HB3 TYR 23 HB3 TYR 23 18.408 2.193 -14.765 165 HD1 TYR 23 HD1 TYR 23 18.253 2.778 -17.286 166 HD2 TYR 23 HD2 TYR 23 17.213 5.480 -14.169 167 HE1 TYR 23 HE1 TYR 23 16.896 4.077 -18.873 168 HE2 TYR 23 HE2 TYR 23 15.852 6.786 -15.747 169 HH TYR 23 HH TYR 23 15.361 7.110 -17.924 170 H CYS 24 H CYS 24 16.950 1.619 -13.486 171 HA CYS 24 HA CYS 24 14.412 2.759 -13.361 172 HB2 CYS 24 HB2 CYS 24 14.844 0.492 -14.213 173 HB3 CYS 24 HB3 CYS 24 15.234 -0.047 -12.583 174 H ASN 25 H ASN 25 16.507 1.565 -10.800 175 HA ASN 25 HA ASN 25 14.681 1.524 -8.693 176 HB2 ASN 25 HB2 ASN 25 17.239 0.844 -8.859 177 HB3 ASN 25 HB3 ASN 25 17.473 2.454 -8.184 178 HD21 ASN 25 HD21 ASN 25 16.338 2.946 -6.181 179 HD22 ASN 25 HD22 ASN 25 16.077 1.678 -5.038 180 H ASP 26 H ASP 26 16.913 4.148 -9.619 181 HA ASP 26 HA ASP 26 16.021 6.032 -7.765 182 HB2 ASP 26 HB2 ASP 26 17.381 6.246 -10.433 183 HB3 ASP 26 HB3 ASP 26 16.870 7.700 -9.579 184 H LEU 27 H LEU 27 15.062 5.640 -11.175 185 HA LEU 27 HA LEU 27 13.138 7.668 -11.221 186 HB2 LEU 27 HB2 LEU 27 13.596 6.984 -13.331 187 HB3 LEU 27 HB3 LEU 27 13.774 5.295 -12.860 188 HG LEU 27 HG LEU 27 11.342 5.049 -12.812 189 HD11 LEU 27 HD11 LEU 27 9.850 6.735 -13.087 190 HD12 LEU 27 HD12 LEU 27 10.926 7.671 -14.124 191 HD13 LEU 27 HD13 LEU 27 11.168 7.668 -12.377 192 HD21 LEU 27 HD21 LEU 27 11.170 4.713 -15.046 193 HD22 LEU 27 HD22 LEU 27 12.903 5.034 -14.979 194 HD23 LEU 27 HD23 LEU 27 11.786 6.316 -15.448 195 H CYS 28 H CYS 28 12.916 4.285 -10.270 196 HA CYS 28 HA CYS 28 10.105 4.156 -10.049 197 HB2 CYS 28 HB2 CYS 28 12.404 2.521 -9.147 198 HB3 CYS 28 HB3 CYS 28 10.909 2.317 -8.241 199 H THR 29 H THR 29 12.599 4.594 -7.539 200 HA THR 29 HA THR 29 10.809 5.034 -5.417 201 HB THR 29 HB THR 29 12.814 6.208 -4.338 202 HG1 THR 29 HG1 THR 29 14.112 6.820 -5.964 203 HG21 THR 29 HG21 THR 29 13.245 4.179 -3.520 204 HG22 THR 29 HG22 THR 29 13.977 3.673 -5.043 205 HG23 THR 29 HG23 THR 29 12.239 3.499 -4.799 206 H GLU 30 H GLU 30 12.075 7.149 -7.880 207 HA GLU 30 HA GLU 30 11.680 9.641 -6.729 208 HB2 GLU 30 HB2 GLU 30 12.717 9.086 -8.990 209 HB3 GLU 30 HB3 GLU 30 11.076 9.022 -9.618 210 HG2 GLU 30 HG2 GLU 30 12.091 11.175 -10.062 211 HG3 GLU 30 HG3 GLU 30 10.723 11.342 -8.963 212 H ASN 31 H ASN 31 9.369 7.292 -7.639 213 HA ASN 31 HA ASN 31 7.191 9.257 -7.620 214 HB2 ASN 31 HB2 ASN 31 7.215 6.339 -8.420 215 HB3 ASN 31 HB3 ASN 31 5.787 7.370 -8.441 216 HD21 ASN 31 HD21 ASN 31 9.139 7.405 -9.609 217 HD22 ASN 31 HD22 ASN 31 8.767 8.050 -11.168 218 H GLY 32 H GLY 32 8.759 8.178 -5.260 219 HA2 GLY 32 HA2 GLY 32 7.963 8.124 -3.031 220 HA3 GLY 32 HA3 GLY 32 6.401 7.583 -3.628 221 H ALA 33 H ALA 33 8.215 5.672 -5.352 222 HA ALA 33 HA ALA 33 7.765 3.368 -3.812 223 HB1 ALA 33 HB1 ALA 33 9.901 3.044 -5.747 224 HB2 ALA 33 HB2 ALA 33 8.299 2.307 -5.696 225 HB3 ALA 33 HB3 ALA 33 8.514 3.901 -6.419 226 H GLU 34 H GLU 34 9.278 1.917 -2.843 227 HA GLU 34 HA GLU 34 11.364 3.311 -1.394 228 HB2 GLU 34 HB2 GLU 34 10.549 0.408 -1.196 229 HB3 GLU 34 HB3 GLU 34 11.519 1.313 -0.042 230 HG2 GLU 34 HG2 GLU 34 9.621 2.704 0.514 231 HG3 GLU 34 HG3 GLU 34 8.640 1.889 -0.702 232 H SER 35 H SER 35 11.074 1.125 -4.054 233 HA SER 35 HA SER 35 13.867 1.371 -4.659 234 HB2 SER 35 HB2 SER 35 12.757 -1.236 -3.648 235 HB3 SER 35 HB3 SER 35 14.118 -1.206 -4.769 236 HG SER 35 HG SER 35 15.334 -0.757 -3.131 237 H GLY 36 H GLY 36 14.358 -0.232 -6.605 238 HA2 GLY 36 HA2 GLY 36 12.210 -1.015 -8.272 239 HA3 GLY 36 HA3 GLY 36 12.772 0.581 -8.747 240 H TYR 37 H TYR 37 12.877 -1.723 -10.387 241 HA TYR 37 HA TYR 37 15.624 -1.621 -11.166 242 HB2 TYR 37 HB2 TYR 37 16.096 -4.030 -10.945 243 HB3 TYR 37 HB3 TYR 37 15.839 -3.270 -9.379 244 HD1 TYR 37 HD1 TYR 37 14.145 -4.031 -7.925 245 HD2 TYR 37 HD2 TYR 37 14.226 -5.391 -11.956 246 HE1 TYR 37 HE1 TYR 37 12.423 -5.704 -7.389 247 HE2 TYR 37 HE2 TYR 37 12.504 -7.067 -11.432 248 HH TYR 37 HH TYR 37 11.408 -7.607 -8.140 249 H CYS 38 H CYS 38 16.028 -3.054 -13.095 250 HA CYS 38 HA CYS 38 13.859 -2.742 -14.939 251 HB2 CYS 38 HB2 CYS 38 16.433 -2.558 -15.350 252 HB3 CYS 38 HB3 CYS 38 16.344 -4.304 -15.561 253 H GLN 39 H GLN 39 12.318 -4.159 -15.403 254 HA GLN 39 HA GLN 39 12.657 -6.938 -14.509 255 HB2 GLN 39 HB2 GLN 39 10.746 -5.702 -13.554 256 HB3 GLN 39 HB3 GLN 39 10.120 -5.434 -15.175 257 HG2 GLN 39 HG2 GLN 39 9.226 -7.473 -15.296 258 HG3 GLN 39 HG3 GLN 39 10.638 -8.240 -14.571 259 HE21 GLN 39 HE21 GLN 39 10.877 -7.701 -12.164 260 HE22 GLN 39 HE22 GLN 39 9.435 -7.832 -11.222 261 H ILE 40 H ILE 40 13.109 -8.387 -16.016 262 HA ILE 40 HA ILE 40 12.643 -7.778 -18.818 263 HB ILE 40 HB ILE 40 13.889 -10.276 -17.677 264 HG12 ILE 40 HG12 ILE 40 14.894 -7.553 -17.738 265 HG13 ILE 40 HG13 ILE 40 15.578 -8.980 -16.967 266 HG21 ILE 40 HG21 ILE 40 14.972 -10.385 -19.890 267 HG22 ILE 40 HG22 ILE 40 13.214 -10.470 -19.990 268 HG23 ILE 40 HG23 ILE 40 14.049 -8.969 -20.389 269 HD11 ILE 40 HD11 ILE 40 16.683 -9.608 -19.002 270 HD12 ILE 40 HD12 ILE 40 15.895 -8.295 -19.878 271 HD13 ILE 40 HD13 ILE 40 17.076 -7.933 -18.620 272 H LEU 41 H LEU 41 11.380 -9.841 -16.311 273 HA LEU 41 HA LEU 41 9.860 -11.488 -18.134 274 HB2 LEU 41 HB2 LEU 41 9.618 -11.269 -15.139 275 HB3 LEU 41 HB3 LEU 41 8.993 -12.562 -16.160 276 HG LEU 41 HG LEU 41 11.937 -12.005 -15.973 277 HD11 LEU 41 HD11 LEU 41 10.901 -14.204 -14.345 278 HD12 LEU 41 HD12 LEU 41 10.472 -12.599 -13.756 279 HD13 LEU 41 HD13 LEU 41 12.166 -13.026 -13.995 280 HD21 LEU 41 HD21 LEU 41 10.691 -14.679 -16.360 281 HD22 LEU 41 HD22 LEU 41 12.211 -14.038 -16.985 282 HD23 LEU 41 HD23 LEU 41 10.680 -13.540 -17.707 283 H GLY 42 H GLY 42 9.330 -8.737 -18.454 284 HA2 GLY 42 HA2 GLY 42 6.797 -8.199 -17.131 285 HA3 GLY 42 HA3 GLY 42 7.645 -7.129 -18.237 286 H LYS 43 H LYS 43 4.806 -8.256 -18.031 287 HA LYS 43 HA LYS 43 4.238 -9.978 -20.124 288 HB2 LYS 43 HB2 LYS 43 2.602 -7.660 -19.079 289 HB3 LYS 43 HB3 LYS 43 1.984 -8.910 -20.151 290 HG2 LYS 43 HG2 LYS 43 2.156 -10.566 -18.504 291 HG3 LYS 43 HG3 LYS 43 3.209 -9.572 -17.495 292 HD2 LYS 43 HD2 LYS 43 1.225 -7.959 -17.340 293 HD3 LYS 43 HD3 LYS 43 0.256 -9.290 -17.977 294 HE2 LYS 43 HE2 LYS 43 0.071 -9.409 -15.624 295 HE3 LYS 43 HE3 LYS 43 1.179 -10.697 -16.093 296 HZ1 LYS 43 HZ1 LYS 43 2.953 -9.637 -15.168 297 HZ2 LYS 43 HZ2 LYS 43 1.738 -9.083 -14.130 298 HZ3 LYS 43 HZ3 LYS 43 2.303 -8.088 -15.376 299 H TYR 44 H TYR 44 5.192 -6.655 -20.209 300 HA TYR 44 HA TYR 44 4.678 -6.578 -23.109 301 HB2 TYR 44 HB2 TYR 44 5.258 -4.084 -21.579 302 HB3 TYR 44 HB3 TYR 44 4.240 -4.320 -22.996 303 HD1 TYR 44 HD1 TYR 44 1.918 -4.867 -22.775 304 HD2 TYR 44 HD2 TYR 44 4.403 -4.632 -19.329 305 HE1 TYR 44 HE1 TYR 44 -0.079 -4.895 -21.339 306 HE2 TYR 44 HE2 TYR 44 2.413 -4.660 -17.884 307 HH TYR 44 HH TYR 44 -0.713 -5.410 -19.075 308 H GLY 45 H GLY 45 7.001 -7.711 -21.595 309 HA2 GLY 45 HA2 GLY 45 9.199 -7.941 -22.431 310 HA3 GLY 45 HA3 GLY 45 9.064 -6.347 -23.158 311 H ASN 46 H ASN 46 10.786 -5.304 -22.327 312 HA ASN 46 HA ASN 46 11.448 -5.542 -19.517 313 HB2 ASN 46 HB2 ASN 46 12.709 -4.210 -21.889 314 HB3 ASN 46 HB3 ASN 46 13.201 -3.742 -20.264 315 HD21 ASN 46 HD21 ASN 46 13.647 -5.700 -18.808 316 HD22 ASN 46 HD22 ASN 46 14.617 -6.944 -19.513 317 H ALA 47 H ALA 47 10.316 -4.415 -18.083 318 HA ALA 47 HA ALA 47 9.716 -1.597 -18.683 319 HB1 ALA 47 HB1 ALA 47 7.869 -3.652 -17.497 320 HB2 ALA 47 HB2 ALA 47 7.596 -1.916 -17.339 321 HB3 ALA 47 HB3 ALA 47 7.624 -2.662 -18.936 322 H CYS 48 H CYS 48 9.852 -0.165 -16.965 323 HA CYS 48 HA CYS 48 11.675 -0.825 -14.912 324 HB2 CYS 48 HB2 CYS 48 11.271 1.468 -15.918 325 HB3 CYS 48 HB3 CYS 48 9.817 1.555 -14.929 326 H TRP 49 H TRP 49 11.212 -2.152 -13.288 327 HA TRP 49 HA TRP 49 8.507 -2.213 -12.185 328 HB2 TRP 49 HB2 TRP 49 9.526 -4.363 -12.736 329 HB3 TRP 49 HB3 TRP 49 10.892 -4.006 -11.683 330 HD1 TRP 49 HD1 TRP 49 10.446 -4.105 -9.021 331 HE1 TRP 49 HE1 TRP 49 8.658 -5.347 -7.650 332 HE3 TRP 49 HE3 TRP 49 7.116 -5.124 -12.764 333 HZ2 TRP 49 HZ2 TRP 49 6.165 -6.595 -8.096 334 HZ3 TRP 49 HZ3 TRP 49 5.055 -6.347 -12.208 335 HH2 TRP 49 HH2 TRP 49 4.591 -7.067 -9.921 336 H CYS 50 H CYS 50 7.981 -1.272 -10.323 337 HA CYS 50 HA CYS 50 10.157 -0.235 -8.634 338 HB2 CYS 50 HB2 CYS 50 7.284 0.700 -8.692 339 HB3 CYS 50 HB3 CYS 50 8.644 1.484 -7.895 340 H ILE 51 H ILE 51 10.200 -0.644 -6.463 341 HA ILE 51 HA ILE 51 8.295 -2.672 -5.506 342 HB ILE 51 HB ILE 51 11.081 -2.054 -4.518 343 HG12 ILE 51 HG12 ILE 51 10.620 -3.315 -6.778 344 HG13 ILE 51 HG13 ILE 51 11.835 -3.921 -5.658 345 HG21 ILE 51 HG21 ILE 51 10.585 -4.347 -3.336 346 HG22 ILE 51 HG22 ILE 51 10.074 -2.824 -2.610 347 HG23 ILE 51 HG23 ILE 51 8.911 -3.814 -3.491 348 HD11 ILE 51 HD11 ILE 51 10.363 -5.612 -4.865 349 HD12 ILE 51 HD12 ILE 51 9.002 -4.919 -5.748 350 HD13 ILE 51 HD13 ILE 51 10.340 -5.657 -6.628 351 H GLN 52 H GLN 52 6.997 -2.241 -3.833 352 HA GLN 52 HA GLN 52 6.025 -1.182 -2.067 353 HB2 GLN 52 HB2 GLN 52 8.686 0.218 -1.755 354 HB3 GLN 52 HB3 GLN 52 7.406 0.136 -0.552 355 HG2 GLN 52 HG2 GLN 52 8.415 -2.443 -1.563 356 HG3 GLN 52 HG3 GLN 52 9.524 -1.495 -0.574 357 HE21 GLN 52 HE21 GLN 52 6.256 -2.824 -0.645 358 HE22 GLN 52 HE22 GLN 52 6.122 -3.060 1.061 359 H LEU 53 H LEU 53 5.557 -0.187 -4.601 360 HA LEU 53 HA LEU 53 5.810 2.699 -4.529 361 HB2 LEU 53 HB2 LEU 53 5.960 1.212 -6.605 362 HB3 LEU 53 HB3 LEU 53 4.204 1.103 -6.502 363 HG LEU 53 HG LEU 53 4.121 3.597 -6.694 364 HD11 LEU 53 HD11 LEU 53 6.540 3.846 -5.944 365 HD12 LEU 53 HD12 LEU 53 6.009 4.851 -7.293 366 HD13 LEU 53 HD13 LEU 53 6.978 3.409 -7.596 367 HD21 LEU 53 HD21 LEU 53 5.480 2.191 -8.989 368 HD22 LEU 53 HD22 LEU 53 4.451 3.621 -9.081 369 HD23 LEU 53 HD23 LEU 53 3.763 2.067 -8.606 370 HA PRO 54 HA PRO 54 1.965 3.384 -2.467 371 HB2 PRO 54 HB2 PRO 54 1.675 6.009 -3.097 372 HB3 PRO 54 HB3 PRO 54 2.827 5.433 -1.886 373 HG2 PRO 54 HG2 PRO 54 3.301 6.190 -4.744 374 HG3 PRO 54 HG3 PRO 54 4.270 6.574 -3.309 375 HD2 PRO 54 HD2 PRO 54 4.933 4.587 -5.025 376 HD3 PRO 54 HD3 PRO 54 5.288 4.506 -3.287 377 H ASP 55 H ASP 55 -0.194 3.443 -2.951 378 HA ASP 55 HA ASP 55 -1.023 2.811 -5.557 379 HB2 ASP 55 HB2 ASP 55 -2.434 3.528 -3.018 380 HB3 ASP 55 HB3 ASP 55 -3.356 3.461 -4.517 381 H ASN 56 H ASN 56 -0.134 5.768 -4.285 382 HA ASN 56 HA ASN 56 -1.988 7.452 -5.668 383 HB2 ASN 56 HB2 ASN 56 0.594 7.906 -4.204 384 HB3 ASN 56 HB3 ASN 56 -0.120 9.199 -5.163 385 HD21 ASN 56 HD21 ASN 56 0.148 9.777 -2.637 386 HD22 ASN 56 HD22 ASN 56 -1.346 9.683 -1.775 387 H VAL 57 H VAL 57 0.968 5.855 -6.479 388 HA VAL 57 HA VAL 57 1.410 7.495 -8.844 389 HB VAL 57 HB VAL 57 2.926 5.006 -8.073 390 HG11 VAL 57 HG11 VAL 57 3.227 5.855 -10.364 391 HG12 VAL 57 HG12 VAL 57 3.724 7.415 -9.705 392 HG13 VAL 57 HG13 VAL 57 4.702 5.978 -9.406 393 HG21 VAL 57 HG21 VAL 57 4.079 7.634 -7.407 394 HG22 VAL 57 HG22 VAL 57 2.725 7.117 -6.403 395 HG23 VAL 57 HG23 VAL 57 4.162 6.103 -6.536 396 HA PRO 58 HA PRO 58 -0.970 4.873 -11.484 397 HB2 PRO 58 HB2 PRO 58 0.035 5.727 -13.857 398 HB3 PRO 58 HB3 PRO 58 -1.099 6.682 -12.894 399 HG2 PRO 58 HG2 PRO 58 1.880 6.909 -13.089 400 HG3 PRO 58 HG3 PRO 58 0.659 8.194 -13.069 401 HD2 PRO 58 HD2 PRO 58 2.100 7.520 -10.878 402 HD3 PRO 58 HD3 PRO 58 0.430 8.115 -10.777 403 H ILE 59 H ILE 59 -0.756 2.953 -12.577 404 HA ILE 59 HA ILE 59 1.990 1.977 -13.018 405 HB ILE 59 HB ILE 59 1.047 -0.325 -12.512 406 HG12 ILE 59 HG12 ILE 59 -1.086 1.183 -11.015 407 HG13 ILE 59 HG13 ILE 59 -1.360 0.587 -12.648 408 HG21 ILE 59 HG21 ILE 59 0.919 1.409 -10.082 409 HG22 ILE 59 HG22 ILE 59 1.667 -0.174 -10.291 410 HG23 ILE 59 HG23 ILE 59 2.426 1.259 -10.985 411 HD11 ILE 59 HD11 ILE 59 -1.282 -0.849 -10.106 412 HD12 ILE 59 HD12 ILE 59 -2.107 -1.243 -11.614 413 HD13 ILE 59 HD13 ILE 59 -0.398 -1.633 -11.415 414 H ARG 60 H ARG 60 2.176 0.259 -14.633 415 HA ARG 60 HA ARG 60 0.856 0.927 -17.034 416 HB2 ARG 60 HB2 ARG 60 2.897 0.005 -17.492 417 HB3 ARG 60 HB3 ARG 60 2.794 -1.147 -16.167 418 HG2 ARG 60 HG2 ARG 60 2.769 -2.217 -18.382 419 HG3 ARG 60 HG3 ARG 60 1.315 -2.555 -17.440 420 HD2 ARG 60 HD2 ARG 60 0.523 -2.076 -19.590 421 HD3 ARG 60 HD3 ARG 60 0.266 -0.587 -18.682 422 HE ARG 60 HE ARG 60 2.625 -0.081 -19.769 423 HH11 ARG 60 HH11 ARG 60 -0.223 -1.495 -21.186 424 HH12 ARG 60 HH12 ARG 60 0.110 -0.894 -22.776 425 HH21 ARG 60 HH21 ARG 60 3.075 0.716 -21.858 426 HH22 ARG 60 HH22 ARG 60 1.987 0.363 -23.158 427 H ILE 61 H ILE 61 -1.222 0.549 -17.424 428 HA ILE 61 HA ILE 61 -2.399 -1.977 -16.472 429 HB ILE 61 HB ILE 61 -4.579 -0.579 -17.128 430 HG12 ILE 61 HG12 ILE 61 -2.872 1.606 -15.987 431 HG13 ILE 61 HG13 ILE 61 -2.905 1.345 -17.728 432 HG21 ILE 61 HG21 ILE 61 -4.957 -0.899 -14.965 433 HG22 ILE 61 HG22 ILE 61 -3.260 -1.332 -14.771 434 HG23 ILE 61 HG23 ILE 61 -3.776 0.337 -14.533 435 HD11 ILE 61 HD11 ILE 61 -4.494 3.017 -17.270 436 HD12 ILE 61 HD12 ILE 61 -5.413 1.544 -17.580 437 HD13 ILE 61 HD13 ILE 61 -5.178 2.105 -15.925 438 HA PRO 62 HA PRO 62 -3.187 -3.383 -20.553 439 HB2 PRO 62 HB2 PRO 62 -5.674 -4.452 -20.345 440 HB3 PRO 62 HB3 PRO 62 -4.243 -5.202 -19.627 441 HG2 PRO 62 HG2 PRO 62 -6.337 -3.495 -18.337 442 HG3 PRO 62 HG3 PRO 62 -5.577 -4.980 -17.735 443 HD2 PRO 62 HD2 PRO 62 -4.826 -2.517 -16.897 444 HD3 PRO 62 HD3 PRO 62 -3.686 -3.872 -17.020 445 H GLY 63 H GLY 63 -3.304 -0.910 -21.039 446 HA2 GLY 63 HA2 GLY 63 -5.813 -0.489 -22.493 447 HA3 GLY 63 HA3 GLY 63 -5.303 0.754 -21.361 448 H LYS 64 H LYS 64 -5.491 1.946 -23.513 449 HA LYS 64 HA LYS 64 -3.250 1.575 -25.313 450 HB2 LYS 64 HB2 LYS 64 -4.268 3.658 -26.408 451 HB3 LYS 64 HB3 LYS 64 -5.222 2.180 -26.435 452 HG2 LYS 64 HG2 LYS 64 -6.753 2.978 -24.914 453 HG3 LYS 64 HG3 LYS 64 -5.621 4.147 -24.229 454 HD2 LYS 64 HD2 LYS 64 -7.162 5.425 -25.470 455 HD3 LYS 64 HD3 LYS 64 -5.719 5.327 -26.481 456 HE2 LYS 64 HE2 LYS 64 -6.861 3.291 -27.555 457 HE3 LYS 64 HE3 LYS 64 -8.331 3.881 -26.781 458 HZ1 LYS 64 HZ1 LYS 64 -8.584 5.310 -28.432 459 HZ2 LYS 64 HZ2 LYS 64 -7.173 4.745 -29.174 460 HZ3 LYS 64 HZ3 LYS 64 -7.095 6.031 -28.077 461 H CYS 65 H CYS 65 -1.394 2.686 -25.298 462 HA CYS 65 HA CYS 65 -0.976 4.625 -23.166 463 HB2 CYS 65 HB2 CYS 65 0.814 3.170 -23.161 464 HB3 CYS 65 HB3 CYS 65 0.794 2.971 -24.910 465 H HIS 66 H HIS 66 -0.440 6.747 -23.462 466 HA HIS 66 HA HIS 66 0.057 7.802 -26.107 467 HB2 HIS 66 HB2 HIS 66 -1.823 9.319 -26.158 468 HB3 HIS 66 HB3 HIS 66 -2.429 7.676 -25.976 469 HD1 HIS 66 HD1 HIS 66 -2.166 10.940 -24.189 470 HD2 HIS 66 HD2 HIS 66 -3.676 7.128 -23.520 471 HE1 HIS 66 HE1 HIS 66 -3.607 11.138 -22.137 Start of MODEL 8 1 H ALA 1 H ALA 1 2.721 -1.265 0.957 2 HA ALA 1 HA ALA 1 1.391 0.141 -1.232 3 HB1 ALA 1 HB1 ALA 1 3.207 1.538 -1.209 4 HB2 ALA 1 HB2 ALA 1 4.299 0.291 -0.606 5 HB3 ALA 1 HB3 ALA 1 3.787 0.274 -2.293 6 H ARG 2 H ARG 2 2.490 -0.812 -3.397 7 HA ARG 2 HA ARG 2 2.832 -3.708 -3.077 8 HB2 ARG 2 HB2 ARG 2 1.345 -3.909 -5.184 9 HB3 ARG 2 HB3 ARG 2 0.567 -3.681 -3.624 10 HG2 ARG 2 HG2 ARG 2 -0.587 -2.120 -4.763 11 HG3 ARG 2 HG3 ARG 2 0.813 -1.121 -4.368 12 HD2 ARG 2 HD2 ARG 2 1.799 -1.582 -6.524 13 HD3 ARG 2 HD3 ARG 2 0.496 -2.703 -6.915 14 HE ARG 2 HE ARG 2 -0.865 -0.914 -7.410 15 HH11 ARG 2 HH11 ARG 2 2.033 0.204 -5.838 16 HH12 ARG 2 HH12 ARG 2 1.727 1.876 -6.175 17 HH21 ARG 2 HH21 ARG 2 -1.280 1.283 -7.859 18 HH22 ARG 2 HH22 ARG 2 -0.158 2.488 -7.324 19 H ASP 3 H ASP 3 3.797 -4.756 -4.931 20 HA ASP 3 HA ASP 3 5.687 -2.988 -6.275 21 HB2 ASP 3 HB2 ASP 3 5.548 -6.003 -6.073 22 HB3 ASP 3 HB3 ASP 3 6.801 -5.124 -6.946 23 H ALA 4 H ALA 4 5.686 -2.564 -8.406 24 HA ALA 4 HA ALA 4 4.525 -4.196 -10.392 25 HB1 ALA 4 HB1 ALA 4 2.887 -1.760 -10.307 26 HB2 ALA 4 HB2 ALA 4 2.438 -3.421 -10.698 27 HB3 ALA 4 HB3 ALA 4 2.573 -2.918 -9.013 28 H TYR 5 H TYR 5 4.078 -2.688 -12.460 29 HA TYR 5 HA TYR 5 6.588 -1.306 -12.878 30 HB2 TYR 5 HB2 TYR 5 4.341 -1.681 -14.861 31 HB3 TYR 5 HB3 TYR 5 6.029 -1.324 -15.208 32 HD1 TYR 5 HD1 TYR 5 7.676 -3.063 -15.268 33 HD2 TYR 5 HD2 TYR 5 3.680 -3.933 -14.093 34 HE1 TYR 5 HE1 TYR 5 8.147 -5.468 -15.469 35 HE2 TYR 5 HE2 TYR 5 4.141 -6.341 -14.289 36 HH TYR 5 HH TYR 5 5.624 -7.860 -15.237 37 H ILE 6 H ILE 6 6.876 0.842 -13.147 38 HA ILE 6 HA ILE 6 4.810 2.608 -12.244 39 HB ILE 6 HB ILE 6 7.034 3.172 -11.614 40 HG12 ILE 6 HG12 ILE 6 6.599 5.172 -13.793 41 HG13 ILE 6 HG13 ILE 6 5.363 4.988 -12.554 42 HG21 ILE 6 HG21 ILE 6 8.593 3.903 -13.627 43 HG22 ILE 6 HG22 ILE 6 8.534 2.238 -13.051 44 HG23 ILE 6 HG23 ILE 6 7.622 2.707 -14.485 45 HD11 ILE 6 HD11 ILE 6 7.559 6.615 -12.412 46 HD12 ILE 6 HD12 ILE 6 6.571 6.090 -11.048 47 HD13 ILE 6 HD13 ILE 6 8.045 5.214 -11.458 48 H ALA 7 H ALA 7 3.515 3.937 -13.388 49 HA ALA 7 HA ALA 7 3.366 3.527 -16.253 50 HB1 ALA 7 HB1 ALA 7 1.404 3.682 -14.542 51 HB2 ALA 7 HB2 ALA 7 1.590 5.420 -14.779 52 HB3 ALA 7 HB3 ALA 7 1.227 4.376 -16.154 53 H LYS 8 H LYS 8 3.414 5.198 -17.807 54 HA LYS 8 HA LYS 8 4.613 7.733 -16.927 55 HB2 LYS 8 HB2 LYS 8 6.494 7.437 -18.106 56 HB3 LYS 8 HB3 LYS 8 6.036 5.743 -18.223 57 HG2 LYS 8 HG2 LYS 8 4.746 6.406 -20.316 58 HG3 LYS 8 HG3 LYS 8 5.638 7.927 -20.238 59 HD2 LYS 8 HD2 LYS 8 7.716 6.834 -20.514 60 HD3 LYS 8 HD3 LYS 8 7.006 5.247 -20.208 61 HE2 LYS 8 HE2 LYS 8 5.590 6.346 -22.373 62 HE3 LYS 8 HE3 LYS 8 7.295 6.666 -22.686 63 HZ1 LYS 8 HZ1 LYS 8 7.570 4.560 -23.255 64 HZ2 LYS 8 HZ2 LYS 8 5.920 4.273 -23.026 65 HZ3 LYS 8 HZ3 LYS 8 7.005 4.030 -21.751 66 HA PRO 9 HA PRO 9 1.881 9.793 -19.674 67 HB2 PRO 9 HB2 PRO 9 3.450 11.650 -20.883 68 HB3 PRO 9 HB3 PRO 9 2.968 11.758 -19.185 69 HG2 PRO 9 HG2 PRO 9 5.540 10.782 -20.366 70 HG3 PRO 9 HG3 PRO 9 5.281 11.824 -18.955 71 HD2 PRO 9 HD2 PRO 9 5.823 9.181 -18.733 72 HD3 PRO 9 HD3 PRO 9 4.795 10.045 -17.572 73 H HIS 10 H HIS 10 1.921 8.210 -22.769 74 HA HIS 10 HA HIS 10 1.031 8.615 -19.996 75 HB2 HIS 10 HB2 HIS 10 -0.323 9.408 -22.520 76 HB3 HIS 10 HB3 HIS 10 -1.336 8.723 -21.252 77 HD1 HIS 10 HD1 HIS 10 -2.060 10.281 -19.448 78 HD2 HIS 10 HD2 HIS 10 1.147 11.778 -21.624 79 HE1 HIS 10 HE1 HIS 10 -1.720 12.629 -18.615 80 H ASN 11 H ASN 11 0.322 6.822 -19.030 81 HA ASN 11 HA ASN 11 -0.264 4.652 -18.681 82 HB2 ASN 11 HB2 ASN 11 -2.195 5.599 -20.217 83 HB3 ASN 11 HB3 ASN 11 -1.513 4.478 -21.392 84 HD21 ASN 11 HD21 ASN 11 -1.781 2.309 -21.121 85 HD22 ASN 11 HD22 ASN 11 -2.783 1.619 -19.894 86 H CYS 12 H CYS 12 2.300 5.002 -19.599 87 HA CYS 12 HA CYS 12 2.681 2.580 -21.227 88 HB2 CYS 12 HB2 CYS 12 4.682 4.779 -21.433 89 HB3 CYS 12 HB3 CYS 12 4.209 3.576 -22.627 90 H VAL 13 H VAL 13 4.727 1.492 -20.882 91 HA VAL 13 HA VAL 13 5.498 1.575 -18.088 92 HB VAL 13 HB VAL 13 6.420 -0.524 -18.363 93 HG11 VAL 13 HG11 VAL 13 4.045 -0.649 -18.817 94 HG12 VAL 13 HG12 VAL 13 4.330 -0.336 -20.531 95 HG13 VAL 13 HG13 VAL 13 4.906 -1.834 -19.799 96 HG21 VAL 13 HG21 VAL 13 7.095 -1.417 -20.624 97 HG22 VAL 13 HG22 VAL 13 6.860 0.215 -21.249 98 HG23 VAL 13 HG23 VAL 13 8.074 -0.086 -20.007 99 H TYR 14 H TYR 14 7.708 1.664 -17.386 100 HA TYR 14 HA TYR 14 9.282 3.522 -18.997 101 HB2 TYR 14 HB2 TYR 14 9.122 2.837 -16.109 102 HB3 TYR 14 HB3 TYR 14 10.685 3.369 -16.719 103 HD1 TYR 14 HD1 TYR 14 10.744 5.599 -18.005 104 HD2 TYR 14 HD2 TYR 14 7.488 4.403 -15.541 105 HE1 TYR 14 HE1 TYR 14 10.015 7.942 -17.842 106 HE2 TYR 14 HE2 TYR 14 6.749 6.743 -15.372 107 HH TYR 14 HH TYR 14 7.087 8.834 -16.041 108 H GLU 15 H GLU 15 10.286 2.269 -20.526 109 HA GLU 15 HA GLU 15 11.501 -0.228 -20.032 110 HB2 GLU 15 HB2 GLU 15 12.824 0.478 -22.194 111 HB3 GLU 15 HB3 GLU 15 11.112 0.087 -22.275 112 HG2 GLU 15 HG2 GLU 15 11.862 2.913 -21.788 113 HG3 GLU 15 HG3 GLU 15 12.120 2.253 -23.402 114 H CYS 16 H CYS 16 13.476 -0.793 -19.325 115 HA CYS 16 HA CYS 16 15.154 1.279 -18.196 116 HB2 CYS 16 HB2 CYS 16 16.170 -0.393 -16.949 117 HB3 CYS 16 HB3 CYS 16 14.549 -1.045 -17.167 118 H TYR 17 H TYR 17 17.494 1.297 -18.544 119 HA TYR 17 HA TYR 17 18.100 0.937 -21.380 120 HB2 TYR 17 HB2 TYR 17 18.514 3.101 -19.956 121 HB3 TYR 17 HB3 TYR 17 19.966 2.252 -19.438 122 HD1 TYR 17 HD1 TYR 17 18.261 3.853 -22.258 123 HD2 TYR 17 HD2 TYR 17 21.785 1.834 -20.990 124 HE1 TYR 17 HE1 TYR 17 19.412 4.592 -24.302 125 HE2 TYR 17 HE2 TYR 17 22.947 2.569 -23.029 126 HH TYR 17 HH TYR 17 22.714 4.480 -24.693 127 H ASN 18 H ASN 18 19.088 -0.163 -18.209 128 HA ASN 18 HA ASN 18 20.502 -2.385 -19.401 129 HB2 ASN 18 HB2 ASN 18 22.070 -0.268 -19.003 130 HB3 ASN 18 HB3 ASN 18 22.097 -0.908 -17.363 131 HD21 ASN 18 HD21 ASN 18 22.411 -2.027 -20.714 132 HD22 ASN 18 HD22 ASN 18 23.708 -3.126 -20.405 133 HA PRO 19 HA PRO 19 18.877 -4.420 -15.858 134 HB2 PRO 19 HB2 PRO 19 20.543 -6.561 -15.753 135 HB3 PRO 19 HB3 PRO 19 19.281 -6.385 -16.978 136 HG2 PRO 19 HG2 PRO 19 22.213 -5.817 -17.184 137 HG3 PRO 19 HG3 PRO 19 21.145 -6.623 -18.348 138 HD2 PRO 19 HD2 PRO 19 21.892 -4.034 -18.607 139 HD3 PRO 19 HD3 PRO 19 20.312 -4.631 -19.154 140 H LYS 20 H LYS 20 22.334 -3.759 -16.013 141 HA LYS 20 HA LYS 20 22.583 -4.023 -13.115 142 HB2 LYS 20 HB2 LYS 20 24.477 -3.908 -15.402 143 HB3 LYS 20 HB3 LYS 20 25.042 -3.271 -13.863 144 HG2 LYS 20 HG2 LYS 20 23.850 -6.014 -14.149 145 HG3 LYS 20 HG3 LYS 20 25.575 -5.688 -14.337 146 HD2 LYS 20 HD2 LYS 20 24.080 -4.805 -11.889 147 HD3 LYS 20 HD3 LYS 20 24.719 -6.445 -12.030 148 HE2 LYS 20 HE2 LYS 20 26.373 -3.949 -12.375 149 HE3 LYS 20 HE3 LYS 20 26.228 -4.832 -10.856 150 HZ1 LYS 20 HZ1 LYS 20 26.920 -6.808 -12.468 151 HZ2 LYS 20 HZ2 LYS 20 28.056 -5.851 -11.660 152 HZ3 LYS 20 HZ3 LYS 20 27.681 -5.533 -13.279 153 H GLY 21 H GLY 21 21.069 -1.834 -14.493 154 HA2 GLY 21 HA2 GLY 21 22.626 0.459 -13.471 155 HA3 GLY 21 HA3 GLY 21 21.461 0.569 -14.781 156 H SER 22 H SER 22 21.822 1.662 -11.869 157 HA SER 22 HA SER 22 19.341 0.834 -10.635 158 HB2 SER 22 HB2 SER 22 21.348 2.956 -9.838 159 HB3 SER 22 HB3 SER 22 19.963 2.461 -8.866 160 HG SER 22 HG SER 22 21.949 0.646 -9.750 161 H TYR 23 H TYR 23 19.371 2.247 -13.267 162 HA TYR 23 HA TYR 23 18.435 4.887 -12.954 163 HB2 TYR 23 HB2 TYR 23 19.210 4.227 -15.107 164 HB3 TYR 23 HB3 TYR 23 18.099 2.863 -15.166 165 HD1 TYR 23 HD1 TYR 23 17.036 6.170 -13.984 166 HD2 TYR 23 HD2 TYR 23 17.157 3.504 -17.297 167 HE1 TYR 23 HE1 TYR 23 15.389 7.568 -15.161 168 HE2 TYR 23 HE2 TYR 23 15.511 4.895 -18.484 169 HH TYR 23 HH TYR 23 14.273 7.899 -17.054 170 H CYS 24 H CYS 24 16.764 1.777 -13.129 171 HA CYS 24 HA CYS 24 14.139 2.860 -13.117 172 HB2 CYS 24 HB2 CYS 24 14.577 0.598 -13.926 173 HB3 CYS 24 HB3 CYS 24 15.128 0.112 -12.326 174 H ASN 25 H ASN 25 16.273 1.615 -10.579 175 HA ASN 25 HA ASN 25 14.515 1.689 -8.433 176 HB2 ASN 25 HB2 ASN 25 17.048 0.937 -8.648 177 HB3 ASN 25 HB3 ASN 25 17.342 2.550 -8.003 178 HD21 ASN 25 HD21 ASN 25 16.522 3.078 -5.940 179 HD22 ASN 25 HD22 ASN 25 16.156 1.844 -4.788 180 H ASP 26 H ASP 26 16.815 4.233 -9.413 181 HA ASP 26 HA ASP 26 16.020 6.167 -7.579 182 HB2 ASP 26 HB2 ASP 26 17.378 6.237 -10.236 183 HB3 ASP 26 HB3 ASP 26 16.810 7.757 -9.551 184 H LEU 27 H LEU 27 14.937 5.747 -10.948 185 HA LEU 27 HA LEU 27 13.080 7.829 -10.987 186 HB2 LEU 27 HB2 LEU 27 13.430 7.047 -13.086 187 HB3 LEU 27 HB3 LEU 27 13.552 5.370 -12.556 188 HG LEU 27 HG LEU 27 11.112 5.244 -12.398 189 HD11 LEU 27 HD11 LEU 27 9.687 6.986 -12.736 190 HD12 LEU 27 HD12 LEU 27 10.799 7.836 -13.808 191 HD13 LEU 27 HD13 LEU 27 11.058 7.869 -12.064 192 HD21 LEU 27 HD21 LEU 27 12.622 5.148 -14.648 193 HD22 LEU 27 HD22 LEU 27 11.409 6.343 -15.106 194 HD23 LEU 27 HD23 LEU 27 10.909 4.736 -14.577 195 H CYS 28 H CYS 28 12.778 4.499 -9.887 196 HA CYS 28 HA CYS 28 9.981 4.457 -9.564 197 HB2 CYS 28 HB2 CYS 28 12.255 2.866 -8.440 198 HB3 CYS 28 HB3 CYS 28 10.643 2.660 -7.763 199 H THR 29 H THR 29 12.575 5.091 -7.211 200 HA THR 29 HA THR 29 10.883 5.645 -5.032 201 HB THR 29 HB THR 29 12.764 6.217 -3.850 202 HG1 THR 29 HG1 THR 29 13.982 7.231 -6.221 203 HG21 THR 29 HG21 THR 29 13.102 4.163 -5.641 204 HG22 THR 29 HG22 THR 29 14.175 4.526 -4.289 205 HG23 THR 29 HG23 THR 29 14.547 5.138 -5.900 206 H GLU 30 H GLU 30 11.841 7.544 -7.758 207 HA GLU 30 HA GLU 30 11.491 10.128 -6.746 208 HB2 GLU 30 HB2 GLU 30 12.435 9.412 -9.013 209 HB3 GLU 30 HB3 GLU 30 10.765 9.307 -9.552 210 HG2 GLU 30 HG2 GLU 30 11.871 11.437 -10.139 211 HG3 GLU 30 HG3 GLU 30 10.420 11.639 -9.158 212 H ASN 31 H ASN 31 9.200 7.674 -7.515 213 HA ASN 31 HA ASN 31 6.985 9.598 -7.389 214 HB2 ASN 31 HB2 ASN 31 7.021 6.706 -8.279 215 HB3 ASN 31 HB3 ASN 31 5.589 7.729 -8.241 216 HD21 ASN 31 HD21 ASN 31 8.918 7.845 -9.468 217 HD22 ASN 31 HD22 ASN 31 8.507 8.516 -11.006 218 H GLY 32 H GLY 32 8.643 8.496 -5.115 219 HA2 GLY 32 HA2 GLY 32 8.080 8.196 -2.878 220 HA3 GLY 32 HA3 GLY 32 6.403 7.981 -3.356 221 H ALA 33 H ALA 33 8.743 6.099 -5.023 222 HA ALA 33 HA ALA 33 7.630 3.677 -3.891 223 HB1 ALA 33 HB1 ALA 33 9.859 3.720 -5.886 224 HB2 ALA 33 HB2 ALA 33 8.558 2.545 -5.685 225 HB3 ALA 33 HB3 ALA 33 8.214 4.133 -6.372 226 H GLU 34 H GLU 34 8.822 2.040 -2.863 227 HA GLU 34 HA GLU 34 10.889 2.998 -1.131 228 HB2 GLU 34 HB2 GLU 34 9.025 1.102 -0.834 229 HB3 GLU 34 HB3 GLU 34 10.355 0.083 -1.366 230 HG2 GLU 34 HG2 GLU 34 10.155 0.262 1.090 231 HG3 GLU 34 HG3 GLU 34 11.718 0.788 0.466 232 H SER 35 H SER 35 10.752 1.003 -4.013 233 HA SER 35 HA SER 35 13.555 1.385 -4.491 234 HB2 SER 35 HB2 SER 35 12.533 -1.220 -3.460 235 HB3 SER 35 HB3 SER 35 13.757 -1.260 -4.729 236 HG SER 35 HG SER 35 15.201 -0.601 -3.346 237 H GLY 36 H GLY 36 14.189 -0.126 -6.472 238 HA2 GLY 36 HA2 GLY 36 12.074 -0.834 -8.256 239 HA3 GLY 36 HA3 GLY 36 12.772 0.723 -8.676 240 H TYR 37 H TYR 37 12.829 -1.528 -10.361 241 HA TYR 37 HA TYR 37 15.631 -1.640 -10.924 242 HB2 TYR 37 HB2 TYR 37 15.911 -4.060 -10.741 243 HB3 TYR 37 HB3 TYR 37 15.495 -3.369 -9.176 244 HD1 TYR 37 HD1 TYR 37 13.932 -4.499 -7.916 245 HD2 TYR 37 HD2 TYR 37 13.762 -4.828 -12.155 246 HE1 TYR 37 HE1 TYR 37 12.059 -6.080 -7.712 247 HE2 TYR 37 HE2 TYR 37 11.888 -6.409 -11.962 248 HH TYR 37 HH TYR 37 11.087 -8.087 -10.038 249 H CYS 38 H CYS 38 16.090 -2.820 -12.928 250 HA CYS 38 HA CYS 38 14.037 -2.362 -14.866 251 HB2 CYS 38 HB2 CYS 38 16.197 -1.917 -15.655 252 HB3 CYS 38 HB3 CYS 38 16.851 -3.408 -14.983 253 H GLN 39 H GLN 39 12.391 -3.705 -15.161 254 HA GLN 39 HA GLN 39 12.670 -6.533 -14.532 255 HB2 GLN 39 HB2 GLN 39 10.649 -4.895 -14.012 256 HB3 GLN 39 HB3 GLN 39 10.142 -5.386 -15.623 257 HG2 GLN 39 HG2 GLN 39 10.307 -6.963 -13.119 258 HG3 GLN 39 HG3 GLN 39 9.067 -6.948 -14.371 259 HE21 GLN 39 HE21 GLN 39 12.217 -8.156 -13.471 260 HE22 GLN 39 HE22 GLN 39 12.260 -9.455 -14.608 261 H ILE 40 H ILE 40 13.113 -8.018 -16.011 262 HA ILE 40 HA ILE 40 13.012 -7.293 -18.834 263 HB ILE 40 HB ILE 40 14.298 -9.562 -17.340 264 HG12 ILE 40 HG12 ILE 40 15.273 -7.142 -17.770 265 HG13 ILE 40 HG13 ILE 40 16.302 -8.565 -17.886 266 HG21 ILE 40 HG21 ILE 40 13.399 -10.639 -19.252 267 HG22 ILE 40 HG22 ILE 40 13.867 -9.305 -20.306 268 HG23 ILE 40 HG23 ILE 40 15.103 -10.342 -19.594 269 HD11 ILE 40 HD11 ILE 40 14.929 -7.376 -20.273 270 HD12 ILE 40 HD12 ILE 40 16.520 -6.849 -19.723 271 HD13 ILE 40 HD13 ILE 40 16.272 -8.519 -20.234 272 H LEU 41 H LEU 41 11.920 -9.959 -16.738 273 HA LEU 41 HA LEU 41 10.300 -11.126 -18.790 274 HB2 LEU 41 HB2 LEU 41 9.342 -12.248 -16.548 275 HB3 LEU 41 HB3 LEU 41 10.810 -12.785 -17.363 276 HG LEU 41 HG LEU 41 10.981 -10.739 -15.188 277 HD11 LEU 41 HD11 LEU 41 11.196 -13.638 -14.530 278 HD12 LEU 41 HD12 LEU 41 9.606 -12.875 -14.558 279 HD13 LEU 41 HD13 LEU 41 10.859 -12.263 -13.478 280 HD21 LEU 41 HD21 LEU 41 12.815 -11.949 -16.853 281 HD22 LEU 41 HD22 LEU 41 12.961 -12.861 -15.350 282 HD23 LEU 41 HD23 LEU 41 13.174 -11.110 -15.344 283 H GLY 42 H GLY 42 9.419 -8.705 -18.975 284 HA2 GLY 42 HA2 GLY 42 7.073 -8.386 -17.236 285 HA3 GLY 42 HA3 GLY 42 7.759 -7.145 -18.275 286 H LYS 43 H LYS 43 4.995 -8.284 -17.993 287 HA LYS 43 HA LYS 43 4.259 -9.861 -20.148 288 HB2 LYS 43 HB2 LYS 43 2.748 -9.221 -18.302 289 HB3 LYS 43 HB3 LYS 43 2.684 -7.581 -18.935 290 HG2 LYS 43 HG2 LYS 43 1.703 -8.480 -21.026 291 HG3 LYS 43 HG3 LYS 43 1.661 -10.076 -20.273 292 HD2 LYS 43 HD2 LYS 43 0.100 -9.368 -18.641 293 HD3 LYS 43 HD3 LYS 43 0.344 -7.666 -19.041 294 HE2 LYS 43 HE2 LYS 43 -1.726 -8.290 -20.004 295 HE3 LYS 43 HE3 LYS 43 -0.569 -8.198 -21.331 296 HZ1 LYS 43 HZ1 LYS 43 -2.179 -10.236 -21.052 297 HZ2 LYS 43 HZ2 LYS 43 -0.954 -10.788 -20.024 298 HZ3 LYS 43 HZ3 LYS 43 -0.606 -10.436 -21.642 299 H TYR 44 H TYR 44 5.208 -6.530 -20.073 300 HA TYR 44 HA TYR 44 4.533 -6.281 -22.931 301 HB2 TYR 44 HB2 TYR 44 5.126 -3.872 -21.274 302 HB3 TYR 44 HB3 TYR 44 4.052 -4.045 -22.657 303 HD1 TYR 44 HD1 TYR 44 1.806 -5.067 -22.352 304 HD2 TYR 44 HD2 TYR 44 4.335 -4.180 -19.048 305 HE1 TYR 44 HE1 TYR 44 -0.124 -5.238 -20.837 306 HE2 TYR 44 HE2 TYR 44 2.413 -4.350 -17.524 307 HH TYR 44 HH TYR 44 -0.509 -5.727 -18.395 308 H GLY 45 H GLY 45 6.957 -7.433 -21.584 309 HA2 GLY 45 HA2 GLY 45 9.120 -7.558 -22.520 310 HA3 GLY 45 HA3 GLY 45 8.906 -5.941 -23.174 311 H ASN 46 H ASN 46 10.518 -4.757 -22.363 312 HA ASN 46 HA ASN 46 11.355 -5.124 -19.599 313 HB2 ASN 46 HB2 ASN 46 12.540 -4.008 -22.038 314 HB3 ASN 46 HB3 ASN 46 12.862 -3.046 -20.598 315 HD21 ASN 46 HD21 ASN 46 13.263 -4.700 -18.629 316 HD22 ASN 46 HD22 ASN 46 14.537 -5.821 -18.954 317 H ALA 47 H ALA 47 10.426 -4.009 -18.027 318 HA ALA 47 HA ALA 47 9.722 -1.204 -18.482 319 HB1 ALA 47 HB1 ALA 47 7.623 -2.201 -18.832 320 HB2 ALA 47 HB2 ALA 47 7.844 -3.330 -17.495 321 HB3 ALA 47 HB3 ALA 47 7.586 -1.616 -17.168 322 H CYS 48 H CYS 48 9.825 0.102 -16.658 323 HA CYS 48 HA CYS 48 11.613 -0.732 -14.626 324 HB2 CYS 48 HB2 CYS 48 11.383 1.615 -15.442 325 HB3 CYS 48 HB3 CYS 48 9.820 1.704 -14.635 326 H TRP 49 H TRP 49 11.067 -2.167 -13.119 327 HA TRP 49 HA TRP 49 8.344 -2.204 -12.062 328 HB2 TRP 49 HB2 TRP 49 9.254 -4.351 -12.728 329 HB3 TRP 49 HB3 TRP 49 10.663 -4.112 -11.697 330 HD1 TRP 49 HD1 TRP 49 10.282 -4.348 -9.030 331 HE1 TRP 49 HE1 TRP 49 8.487 -5.611 -7.685 332 HE3 TRP 49 HE3 TRP 49 6.825 -5.035 -12.734 333 HZ2 TRP 49 HZ2 TRP 49 5.943 -6.748 -8.135 334 HZ3 TRP 49 HZ3 TRP 49 4.738 -6.220 -12.194 335 HH2 TRP 49 HH2 TRP 49 4.308 -7.059 -9.941 336 H CYS 50 H CYS 50 7.916 -0.980 -10.356 337 HA CYS 50 HA CYS 50 10.063 -0.263 -8.508 338 HB2 CYS 50 HB2 CYS 50 7.217 0.758 -8.594 339 HB3 CYS 50 HB3 CYS 50 8.553 1.438 -7.672 340 H ILE 51 H ILE 51 10.046 -0.741 -6.340 341 HA ILE 51 HA ILE 51 8.128 -2.813 -5.522 342 HB ILE 51 HB ILE 51 10.871 -2.176 -4.434 343 HG12 ILE 51 HG12 ILE 51 11.242 -4.596 -5.247 344 HG13 ILE 51 HG13 ILE 51 9.768 -4.367 -6.181 345 HG21 ILE 51 HG21 ILE 51 8.661 -3.852 -3.408 346 HG22 ILE 51 HG22 ILE 51 10.284 -4.535 -3.325 347 HG23 ILE 51 HG23 ILE 51 9.934 -2.995 -2.540 348 HD11 ILE 51 HD11 ILE 51 12.193 -3.872 -7.151 349 HD12 ILE 51 HD12 ILE 51 10.761 -2.974 -7.655 350 HD13 ILE 51 HD13 ILE 51 11.850 -2.291 -6.449 351 H GLN 52 H GLN 52 6.805 -2.515 -3.825 352 HA GLN 52 HA GLN 52 5.716 -1.515 -2.096 353 HB2 GLN 52 HB2 GLN 52 8.531 -0.638 -1.681 354 HB3 GLN 52 HB3 GLN 52 7.275 0.192 -0.773 355 HG2 GLN 52 HG2 GLN 52 7.342 -2.786 -0.786 356 HG3 GLN 52 HG3 GLN 52 8.479 -1.893 0.222 357 HE21 GLN 52 HE21 GLN 52 5.242 -2.923 -0.194 358 HE22 GLN 52 HE22 GLN 52 4.604 -2.260 1.268 359 H LEU 53 H LEU 53 5.269 -0.443 -4.570 360 HA LEU 53 HA LEU 53 5.517 2.440 -4.428 361 HB2 LEU 53 HB2 LEU 53 5.667 0.987 -6.535 362 HB3 LEU 53 HB3 LEU 53 3.909 0.905 -6.444 363 HG LEU 53 HG LEU 53 3.817 3.366 -6.635 364 HD11 LEU 53 HD11 LEU 53 6.531 3.660 -7.634 365 HD12 LEU 53 HD12 LEU 53 6.473 3.272 -5.915 366 HD13 LEU 53 HD13 LEU 53 5.611 4.682 -6.530 367 HD21 LEU 53 HD21 LEU 53 5.446 2.610 -8.970 368 HD22 LEU 53 HD22 LEU 53 3.809 3.262 -8.887 369 HD23 LEU 53 HD23 LEU 53 4.090 1.544 -8.603 370 HA PRO 54 HA PRO 54 1.666 3.049 -2.345 371 HB2 PRO 54 HB2 PRO 54 1.405 5.703 -2.850 372 HB3 PRO 54 HB3 PRO 54 2.541 5.059 -1.659 373 HG2 PRO 54 HG2 PRO 54 3.048 5.948 -4.472 374 HG3 PRO 54 HG3 PRO 54 4.007 6.254 -3.012 375 HD2 PRO 54 HD2 PRO 54 4.667 4.345 -4.816 376 HD3 PRO 54 HD3 PRO 54 5.006 4.177 -3.081 377 H ASP 55 H ASP 55 -0.496 3.201 -2.835 378 HA ASP 55 HA ASP 55 -1.299 2.700 -5.489 379 HB2 ASP 55 HB2 ASP 55 -2.826 3.404 -2.988 380 HB3 ASP 55 HB3 ASP 55 -3.636 3.127 -4.527 381 H ASN 56 H ASN 56 -0.354 5.555 -4.090 382 HA ASN 56 HA ASN 56 -2.215 7.330 -5.370 383 HB2 ASN 56 HB2 ASN 56 0.504 8.049 -4.272 384 HB3 ASN 56 HB3 ASN 56 -0.888 9.107 -4.484 385 HD21 ASN 56 HD21 ASN 56 -2.918 7.722 -3.407 386 HD22 ASN 56 HD22 ASN 56 -2.641 7.438 -1.725 387 H VAL 57 H VAL 57 0.756 5.783 -6.222 388 HA VAL 57 HA VAL 57 1.228 7.558 -8.483 389 HB VAL 57 HB VAL 57 2.761 5.052 -7.805 390 HG11 VAL 57 HG11 VAL 57 3.615 7.538 -9.280 391 HG12 VAL 57 HG12 VAL 57 4.525 6.037 -9.099 392 HG13 VAL 57 HG13 VAL 57 3.047 6.064 -10.061 393 HG21 VAL 57 HG21 VAL 57 3.845 7.680 -7.007 394 HG22 VAL 57 HG22 VAL 57 2.512 7.057 -6.035 395 HG23 VAL 57 HG23 VAL 57 3.986 6.108 -6.221 396 HA PRO 58 HA PRO 58 -1.068 5.051 -11.303 397 HB2 PRO 58 HB2 PRO 58 -0.029 6.040 -13.608 398 HB3 PRO 58 HB3 PRO 58 -1.192 6.930 -12.619 399 HG2 PRO 58 HG2 PRO 58 1.786 7.201 -12.743 400 HG3 PRO 58 HG3 PRO 58 0.549 8.470 -12.680 401 HD2 PRO 58 HD2 PRO 58 1.957 7.698 -10.499 402 HD3 PRO 58 HD3 PRO 58 0.278 8.267 -10.400 403 H ILE 59 H ILE 59 -0.788 3.075 -12.159 404 HA ILE 59 HA ILE 59 1.967 2.207 -12.744 405 HB ILE 59 HB ILE 59 1.180 -0.103 -12.223 406 HG12 ILE 59 HG12 ILE 59 -1.178 1.168 -10.858 407 HG13 ILE 59 HG13 ILE 59 -1.290 0.636 -12.533 408 HG21 ILE 59 HG21 ILE 59 2.366 1.440 -10.607 409 HG22 ILE 59 HG22 ILE 59 0.789 1.740 -9.880 410 HG23 ILE 59 HG23 ILE 59 1.460 0.109 -9.887 411 HD11 ILE 59 HD11 ILE 59 -2.002 -1.263 -11.565 412 HD12 ILE 59 HD12 ILE 59 -0.273 -1.579 -11.421 413 HD13 ILE 59 HD13 ILE 59 -1.169 -0.932 -10.046 414 H ARG 60 H ARG 60 2.111 0.406 -14.335 415 HA ARG 60 HA ARG 60 0.834 1.122 -16.750 416 HB2 ARG 60 HB2 ARG 60 2.850 0.141 -17.197 417 HB3 ARG 60 HB3 ARG 60 2.708 -1.004 -15.870 418 HG2 ARG 60 HG2 ARG 60 2.660 -2.011 -18.156 419 HG3 ARG 60 HG3 ARG 60 1.283 -2.421 -17.131 420 HD2 ARG 60 HD2 ARG 60 0.044 -1.815 -18.897 421 HD3 ARG 60 HD3 ARG 60 0.396 -0.167 -18.380 422 HE ARG 60 HE ARG 60 2.475 -0.668 -19.970 423 HH11 ARG 60 HH11 ARG 60 -0.929 -1.243 -20.418 424 HH12 ARG 60 HH12 ARG 60 -0.866 -1.061 -22.140 425 HH21 ARG 60 HH21 ARG 60 2.571 -0.426 -22.236 426 HH22 ARG 60 HH22 ARG 60 1.125 -0.597 -23.173 427 H ILE 61 H ILE 61 -1.297 0.866 -17.005 428 HA ILE 61 HA ILE 61 -2.609 -1.530 -15.970 429 HB ILE 61 HB ILE 61 -4.652 -0.198 -17.047 430 HG12 ILE 61 HG12 ILE 61 -2.713 2.001 -16.304 431 HG13 ILE 61 HG13 ILE 61 -3.108 1.553 -17.960 432 HG21 ILE 61 HG21 ILE 61 -3.821 -0.748 -14.550 433 HG22 ILE 61 HG22 ILE 61 -3.740 1.013 -14.519 434 HG23 ILE 61 HG23 ILE 61 -5.259 0.207 -14.911 435 HD11 ILE 61 HD11 ILE 61 -5.017 2.694 -17.921 436 HD12 ILE 61 HD12 ILE 61 -5.453 2.090 -16.322 437 HD13 ILE 61 HD13 ILE 61 -4.366 3.470 -16.477 438 HA PRO 62 HA PRO 62 -3.063 -3.573 -19.826 439 HB2 PRO 62 HB2 PRO 62 -5.590 -4.553 -19.675 440 HB3 PRO 62 HB3 PRO 62 -4.251 -5.198 -18.719 441 HG2 PRO 62 HG2 PRO 62 -6.395 -3.269 -17.917 442 HG3 PRO 62 HG3 PRO 62 -5.737 -4.647 -17.017 443 HD2 PRO 62 HD2 PRO 62 -4.986 -2.093 -16.523 444 HD3 PRO 62 HD3 PRO 62 -3.882 -3.469 -16.321 445 H GLY 63 H GLY 63 -3.100 -1.136 -20.624 446 HA2 GLY 63 HA2 GLY 63 -5.408 -0.962 -22.421 447 HA3 GLY 63 HA3 GLY 63 -5.047 0.429 -21.411 448 H LYS 64 H LYS 64 -4.988 1.276 -23.751 449 HA LYS 64 HA LYS 64 -2.515 0.738 -25.161 450 HB2 LYS 64 HB2 LYS 64 -4.903 1.336 -26.121 451 HB3 LYS 64 HB3 LYS 64 -4.339 2.987 -25.897 452 HG2 LYS 64 HG2 LYS 64 -2.364 2.457 -27.289 453 HG3 LYS 64 HG3 LYS 64 -3.045 0.855 -27.583 454 HD2 LYS 64 HD2 LYS 64 -4.458 3.436 -28.243 455 HD3 LYS 64 HD3 LYS 64 -3.486 2.520 -29.397 456 HE2 LYS 64 HE2 LYS 64 -6.004 1.634 -27.999 457 HE3 LYS 64 HE3 LYS 64 -5.780 1.929 -29.722 458 HZ1 LYS 64 HZ1 LYS 64 -4.706 -0.294 -28.093 459 HZ2 LYS 64 HZ2 LYS 64 -4.068 0.087 -29.613 460 HZ3 LYS 64 HZ3 LYS 64 -5.688 -0.380 -29.468 461 H CYS 65 H CYS 65 -0.851 2.218 -25.511 462 HA CYS 65 HA CYS 65 -0.580 4.224 -23.407 463 HB2 CYS 65 HB2 CYS 65 1.356 2.951 -23.447 464 HB3 CYS 65 HB3 CYS 65 1.327 2.774 -25.199 465 H HIS 66 H HIS 66 0.329 6.342 -23.924 466 HA HIS 66 HA HIS 66 -0.081 8.367 -24.930 467 HB2 HIS 66 HB2 HIS 66 1.149 8.646 -26.948 468 HB3 HIS 66 HB3 HIS 66 1.990 7.401 -26.029 469 HD1 HIS 66 HD1 HIS 66 0.340 8.033 -29.246 470 HD2 HIS 66 HD2 HIS 66 1.589 4.733 -27.053 471 HE1 HIS 66 HE1 HIS 66 0.353 6.113 -30.870 Start of MODEL 9 1 H ALA 1 H ALA 1 2.656 -0.911 1.059 2 HA ALA 1 HA ALA 1 1.557 0.320 -1.382 3 HB1 ALA 1 HB1 ALA 1 4.338 -0.271 -1.647 4 HB2 ALA 1 HB2 ALA 1 3.524 1.293 -1.696 5 HB3 ALA 1 HB3 ALA 1 4.075 0.634 -0.156 6 H ARG 2 H ARG 2 2.991 -0.815 -3.329 7 HA ARG 2 HA ARG 2 3.030 -3.696 -3.033 8 HB2 ARG 2 HB2 ARG 2 1.532 -3.734 -5.224 9 HB3 ARG 2 HB3 ARG 2 0.821 -3.771 -3.616 10 HG2 ARG 2 HG2 ARG 2 0.565 -1.290 -3.760 11 HG3 ARG 2 HG3 ARG 2 1.082 -1.398 -5.444 12 HD2 ARG 2 HD2 ARG 2 -1.112 -3.192 -4.581 13 HD3 ARG 2 HD3 ARG 2 -1.483 -1.473 -4.709 14 HE ARG 2 HE ARG 2 -1.259 -1.614 -7.001 15 HH11 ARG 2 HH11 ARG 2 -0.178 -4.566 -5.506 16 HH12 ARG 2 HH12 ARG 2 -0.089 -5.442 -6.998 17 HH21 ARG 2 HH21 ARG 2 -1.146 -2.757 -8.972 18 HH22 ARG 2 HH22 ARG 2 -0.639 -4.412 -8.969 19 H ASP 3 H ASP 3 4.123 -4.764 -4.721 20 HA ASP 3 HA ASP 3 5.939 -3.033 -6.191 21 HB2 ASP 3 HB2 ASP 3 5.920 -6.053 -6.105 22 HB3 ASP 3 HB3 ASP 3 7.248 -5.005 -6.594 23 H ALA 4 H ALA 4 5.890 -2.683 -8.329 24 HA ALA 4 HA ALA 4 4.817 -4.440 -10.249 25 HB1 ALA 4 HB1 ALA 4 2.964 -2.445 -10.713 26 HB2 ALA 4 HB2 ALA 4 2.635 -4.041 -10.037 27 HB3 ALA 4 HB3 ALA 4 2.909 -2.670 -8.964 28 H TYR 5 H TYR 5 4.271 -3.034 -12.364 29 HA TYR 5 HA TYR 5 6.691 -1.521 -12.846 30 HB2 TYR 5 HB2 TYR 5 4.470 -2.017 -14.823 31 HB3 TYR 5 HB3 TYR 5 6.167 -1.689 -15.155 32 HD1 TYR 5 HD1 TYR 5 3.727 -4.233 -14.188 33 HD2 TYR 5 HD2 TYR 5 7.844 -3.443 -14.913 34 HE1 TYR 5 HE1 TYR 5 4.167 -6.651 -14.287 35 HE2 TYR 5 HE2 TYR 5 8.296 -5.858 -15.015 36 HH TYR 5 HH TYR 5 5.705 -8.216 -14.960 37 H ILE 6 H ILE 6 6.861 0.628 -13.009 38 HA ILE 6 HA ILE 6 4.650 2.280 -12.250 39 HB ILE 6 HB ILE 6 6.787 2.969 -11.475 40 HG12 ILE 6 HG12 ILE 6 6.327 4.901 -13.728 41 HG13 ILE 6 HG13 ILE 6 5.119 4.709 -12.463 42 HG21 ILE 6 HG21 ILE 6 8.409 2.068 -12.813 43 HG22 ILE 6 HG22 ILE 6 7.603 2.554 -14.304 44 HG23 ILE 6 HG23 ILE 6 8.471 3.749 -13.341 45 HD11 ILE 6 HD11 ILE 6 6.330 5.848 -10.971 46 HD12 ILE 6 HD12 ILE 6 7.847 5.106 -11.483 47 HD13 ILE 6 HD13 ILE 6 7.178 6.463 -12.389 48 H ALA 7 H ALA 7 3.581 3.838 -13.461 49 HA ALA 7 HA ALA 7 3.389 3.255 -16.291 50 HB1 ALA 7 HB1 ALA 7 1.857 5.281 -14.667 51 HB2 ALA 7 HB2 ALA 7 1.456 4.695 -16.281 52 HB3 ALA 7 HB3 ALA 7 1.373 3.601 -14.901 53 H LYS 8 H LYS 8 3.283 5.068 -17.871 54 HA LYS 8 HA LYS 8 4.905 7.394 -17.185 55 HB2 LYS 8 HB2 LYS 8 6.720 6.835 -18.374 56 HB3 LYS 8 HB3 LYS 8 6.084 5.195 -18.381 57 HG2 LYS 8 HG2 LYS 8 4.997 5.599 -20.512 58 HG3 LYS 8 HG3 LYS 8 5.562 7.272 -20.500 59 HD2 LYS 8 HD2 LYS 8 7.909 6.354 -20.391 60 HD3 LYS 8 HD3 LYS 8 7.216 4.761 -20.704 61 HE2 LYS 8 HE2 LYS 8 8.038 5.830 -22.755 62 HE3 LYS 8 HE3 LYS 8 6.299 5.547 -22.808 63 HZ1 LYS 8 HZ1 LYS 8 7.010 8.125 -21.753 64 HZ2 LYS 8 HZ2 LYS 8 5.884 7.719 -22.948 65 HZ3 LYS 8 HZ3 LYS 8 7.517 7.899 -23.352 66 HA PRO 9 HA PRO 9 2.393 9.595 -20.032 67 HB2 PRO 9 HB2 PRO 9 4.144 11.136 -21.421 68 HB3 PRO 9 HB3 PRO 9 3.740 11.431 -19.726 69 HG2 PRO 9 HG2 PRO 9 6.121 10.042 -20.893 70 HG3 PRO 9 HG3 PRO 9 6.049 11.210 -19.561 71 HD2 PRO 9 HD2 PRO 9 6.254 8.542 -19.148 72 HD3 PRO 9 HD3 PRO 9 5.388 9.617 -18.032 73 H HIS 10 H HIS 10 2.122 7.786 -22.990 74 HA HIS 10 HA HIS 10 1.397 8.491 -20.229 75 HB2 HIS 10 HB2 HIS 10 0.048 9.275 -22.761 76 HB3 HIS 10 HB3 HIS 10 -0.985 8.823 -21.407 77 HD1 HIS 10 HD1 HIS 10 -1.325 10.537 -19.607 78 HD2 HIS 10 HD2 HIS 10 1.755 11.543 -22.207 79 HE1 HIS 10 HE1 HIS 10 -0.672 12.888 -18.998 80 H ASN 11 H ASN 11 0.696 6.790 -19.130 81 HA ASN 11 HA ASN 11 -0.281 4.799 -18.606 82 HB2 ASN 11 HB2 ASN 11 -2.045 5.791 -20.299 83 HB3 ASN 11 HB3 ASN 11 -1.447 4.507 -21.345 84 HD21 ASN 11 HD21 ASN 11 -2.311 2.565 -21.134 85 HD22 ASN 11 HD22 ASN 11 -3.283 2.033 -19.808 86 H CYS 12 H CYS 12 2.297 5.125 -20.162 87 HA CYS 12 HA CYS 12 2.479 2.414 -21.291 88 HB2 CYS 12 HB2 CYS 12 3.807 4.991 -21.927 89 HB3 CYS 12 HB3 CYS 12 4.796 3.541 -22.064 90 H VAL 13 H VAL 13 4.779 1.476 -21.043 91 HA VAL 13 HA VAL 13 5.392 1.508 -18.191 92 HB VAL 13 HB VAL 13 6.235 -0.600 -18.408 93 HG11 VAL 13 HG11 VAL 13 4.721 -0.734 -20.983 94 HG12 VAL 13 HG12 VAL 13 4.755 -1.880 -19.641 95 HG13 VAL 13 HG13 VAL 13 3.881 -0.357 -19.479 96 HG21 VAL 13 HG21 VAL 13 8.109 -0.340 -19.736 97 HG22 VAL 13 HG22 VAL 13 7.111 -1.410 -20.721 98 HG23 VAL 13 HG23 VAL 13 7.187 0.312 -21.091 99 H TYR 14 H TYR 14 7.581 1.619 -17.423 100 HA TYR 14 HA TYR 14 9.176 3.505 -18.977 101 HB2 TYR 14 HB2 TYR 14 8.953 2.784 -16.102 102 HB3 TYR 14 HB3 TYR 14 10.526 3.338 -16.667 103 HD1 TYR 14 HD1 TYR 14 10.219 5.493 -18.356 104 HD2 TYR 14 HD2 TYR 14 7.666 4.418 -15.127 105 HE1 TYR 14 HE1 TYR 14 9.462 7.827 -18.186 106 HE2 TYR 14 HE2 TYR 14 6.902 6.749 -14.948 107 HH TYR 14 HH TYR 14 8.340 9.236 -15.935 108 H GLU 15 H GLU 15 10.249 2.301 -20.492 109 HA GLU 15 HA GLU 15 11.470 -0.196 -20.008 110 HB2 GLU 15 HB2 GLU 15 12.511 0.067 -22.158 111 HB3 GLU 15 HB3 GLU 15 10.873 0.698 -22.259 112 HG2 GLU 15 HG2 GLU 15 11.708 2.966 -22.084 113 HG3 GLU 15 HG3 GLU 15 13.355 2.364 -21.904 114 H CYS 16 H CYS 16 13.477 -0.765 -19.349 115 HA CYS 16 HA CYS 16 15.068 1.273 -18.048 116 HB2 CYS 16 HB2 CYS 16 16.264 -0.514 -17.033 117 HB3 CYS 16 HB3 CYS 16 14.574 -1.008 -17.058 118 H TYR 17 H TYR 17 17.391 1.441 -18.366 119 HA TYR 17 HA TYR 17 18.062 1.265 -21.205 120 HB2 TYR 17 HB2 TYR 17 18.491 3.427 -20.419 121 HB3 TYR 17 HB3 TYR 17 19.149 2.846 -18.893 122 HD1 TYR 17 HD1 TYR 17 21.461 2.360 -18.661 123 HD2 TYR 17 HD2 TYR 17 19.849 3.214 -22.505 124 HE1 TYR 17 HE1 TYR 17 23.739 2.540 -19.570 125 HE2 TYR 17 HE2 TYR 17 22.123 3.395 -23.425 126 HH TYR 17 HH TYR 17 24.300 3.432 -22.957 127 H ASN 18 H ASN 18 19.068 0.067 -18.073 128 HA ASN 18 HA ASN 18 20.603 -2.026 -19.345 129 HB2 ASN 18 HB2 ASN 18 22.058 0.154 -18.846 130 HB3 ASN 18 HB3 ASN 18 22.116 -0.560 -17.237 131 HD21 ASN 18 HD21 ASN 18 22.402 -1.618 -20.616 132 HD22 ASN 18 HD22 ASN 18 23.789 -2.616 -20.361 133 HA PRO 19 HA PRO 19 19.070 -4.284 -15.898 134 HB2 PRO 19 HB2 PRO 19 20.844 -6.339 -15.869 135 HB3 PRO 19 HB3 PRO 19 19.580 -6.178 -17.094 136 HG2 PRO 19 HG2 PRO 19 22.480 -5.453 -17.257 137 HG3 PRO 19 HG3 PRO 19 21.460 -6.265 -18.460 138 HD2 PRO 19 HD2 PRO 19 22.073 -3.632 -18.609 139 HD3 PRO 19 HD3 PRO 19 20.529 -4.287 -19.190 140 H LYS 20 H LYS 20 22.519 -3.524 -16.002 141 HA LYS 20 HA LYS 20 22.728 -3.830 -13.105 142 HB2 LYS 20 HB2 LYS 20 24.655 -3.662 -15.361 143 HB3 LYS 20 HB3 LYS 20 25.189 -3.037 -13.806 144 HG2 LYS 20 HG2 LYS 20 24.079 -5.803 -14.214 145 HG3 LYS 20 HG3 LYS 20 25.799 -5.409 -14.234 146 HD2 LYS 20 HD2 LYS 20 24.163 -4.533 -11.904 147 HD3 LYS 20 HD3 LYS 20 24.605 -6.237 -12.031 148 HE2 LYS 20 HE2 LYS 20 26.344 -5.327 -10.786 149 HE3 LYS 20 HE3 LYS 20 26.996 -5.359 -12.424 150 HZ1 LYS 20 HZ1 LYS 20 26.861 -3.184 -10.769 151 HZ2 LYS 20 HZ2 LYS 20 25.613 -2.926 -11.881 152 HZ3 LYS 20 HZ3 LYS 20 27.196 -3.162 -12.428 153 H GLY 21 H GLY 21 21.207 -1.641 -14.471 154 HA2 GLY 21 HA2 GLY 21 22.715 0.653 -13.378 155 HA3 GLY 21 HA3 GLY 21 21.592 0.773 -14.724 156 H SER 22 H SER 22 21.819 1.895 -11.841 157 HA SER 22 HA SER 22 19.348 0.990 -10.644 158 HB2 SER 22 HB2 SER 22 19.875 2.499 -8.833 159 HB3 SER 22 HB3 SER 22 21.349 1.643 -9.286 160 HG SER 22 HG SER 22 20.634 4.244 -10.174 161 H TYR 23 H TYR 23 19.376 2.348 -13.303 162 HA TYR 23 HA TYR 23 18.369 4.956 -13.120 163 HB2 TYR 23 HB2 TYR 23 19.120 3.508 -15.187 164 HB3 TYR 23 HB3 TYR 23 17.408 3.105 -15.266 165 HD1 TYR 23 HD1 TYR 23 19.573 4.964 -16.930 166 HD2 TYR 23 HD2 TYR 23 16.081 5.589 -14.580 167 HE1 TYR 23 HE1 TYR 23 19.141 7.061 -18.140 168 HE2 TYR 23 HE2 TYR 23 15.639 7.687 -15.784 169 HH TYR 23 HH TYR 23 16.891 8.479 -18.621 170 H CYS 24 H CYS 24 16.626 1.863 -13.412 171 HA CYS 24 HA CYS 24 14.039 2.946 -13.250 172 HB2 CYS 24 HB2 CYS 24 14.395 0.695 -14.070 173 HB3 CYS 24 HB3 CYS 24 15.060 0.196 -12.518 174 H ASN 25 H ASN 25 16.250 1.762 -10.760 175 HA ASN 25 HA ASN 25 14.556 1.788 -8.567 176 HB2 ASN 25 HB2 ASN 25 17.113 1.144 -8.848 177 HB3 ASN 25 HB3 ASN 25 17.354 2.774 -8.224 178 HD21 ASN 25 HD21 ASN 25 15.980 3.267 -6.243 179 HD22 ASN 25 HD22 ASN 25 15.928 2.035 -5.032 180 H ASP 26 H ASP 26 16.754 4.414 -9.571 181 HA ASP 26 HA ASP 26 15.900 6.325 -7.749 182 HB2 ASP 26 HB2 ASP 26 17.029 6.610 -10.533 183 HB3 ASP 26 HB3 ASP 26 16.713 7.994 -9.490 184 H LEU 27 H LEU 27 14.809 5.892 -11.115 185 HA LEU 27 HA LEU 27 12.867 7.886 -11.131 186 HB2 LEU 27 HB2 LEU 27 13.221 7.107 -13.231 187 HB3 LEU 27 HB3 LEU 27 13.406 5.438 -12.697 188 HG LEU 27 HG LEU 27 10.982 5.214 -12.521 189 HD11 LEU 27 HD11 LEU 27 10.853 7.853 -12.175 190 HD12 LEU 27 HD12 LEU 27 9.490 6.901 -12.761 191 HD13 LEU 27 HD13 LEU 27 10.501 7.786 -13.902 192 HD21 LEU 27 HD21 LEU 27 11.192 6.366 -15.215 193 HD22 LEU 27 HD22 LEU 27 10.759 4.734 -14.706 194 HD23 LEU 27 HD23 LEU 27 12.456 5.210 -14.796 195 H CYS 28 H CYS 28 12.695 4.546 -10.028 196 HA CYS 28 HA CYS 28 9.906 4.413 -9.660 197 HB2 CYS 28 HB2 CYS 28 12.255 2.883 -8.631 198 HB3 CYS 28 HB3 CYS 28 10.696 2.651 -7.846 199 H THR 29 H THR 29 12.515 5.103 -7.336 200 HA THR 29 HA THR 29 10.845 5.601 -5.131 201 HB THR 29 HB THR 29 12.726 6.237 -3.981 202 HG1 THR 29 HG1 THR 29 13.359 7.610 -6.344 203 HG21 THR 29 HG21 THR 29 14.506 5.219 -6.069 204 HG22 THR 29 HG22 THR 29 13.099 4.196 -5.776 205 HG23 THR 29 HG23 THR 29 14.189 4.599 -4.449 206 H GLU 30 H GLU 30 11.696 7.545 -7.864 207 HA GLU 30 HA GLU 30 11.280 10.112 -6.844 208 HB2 GLU 30 HB2 GLU 30 12.128 9.316 -9.179 209 HB3 GLU 30 HB3 GLU 30 10.428 9.374 -9.623 210 HG2 GLU 30 HG2 GLU 30 11.739 11.734 -8.343 211 HG3 GLU 30 HG3 GLU 30 11.926 11.426 -10.068 212 H ASN 31 H ASN 31 9.050 7.583 -7.527 213 HA ASN 31 HA ASN 31 6.776 9.433 -7.363 214 HB2 ASN 31 HB2 ASN 31 6.897 6.530 -8.208 215 HB3 ASN 31 HB3 ASN 31 5.422 7.488 -8.125 216 HD21 ASN 31 HD21 ASN 31 8.701 7.849 -9.443 217 HD22 ASN 31 HD22 ASN 31 8.196 8.436 -10.988 218 H GLY 32 H GLY 32 8.541 8.426 -5.122 219 HA2 GLY 32 HA2 GLY 32 8.050 8.161 -2.862 220 HA3 GLY 32 HA3 GLY 32 6.370 7.869 -3.287 221 H ALA 33 H ALA 33 8.724 6.043 -4.990 222 HA ALA 33 HA ALA 33 7.750 3.607 -3.760 223 HB1 ALA 33 HB1 ALA 33 8.294 4.099 -6.289 224 HB2 ALA 33 HB2 ALA 33 9.911 3.585 -5.805 225 HB3 ALA 33 HB3 ALA 33 8.540 2.496 -5.596 226 H GLU 34 H GLU 34 9.037 2.052 -2.731 227 HA GLU 34 HA GLU 34 11.143 3.128 -1.122 228 HB2 GLU 34 HB2 GLU 34 9.364 1.198 -0.665 229 HB3 GLU 34 HB3 GLU 34 10.675 0.191 -1.263 230 HG2 GLU 34 HG2 GLU 34 10.769 0.305 1.134 231 HG3 GLU 34 HG3 GLU 34 12.161 1.140 0.447 232 H SER 35 H SER 35 10.954 1.149 -3.992 233 HA SER 35 HA SER 35 13.735 1.560 -4.548 234 HB2 SER 35 HB2 SER 35 12.774 -1.076 -3.525 235 HB3 SER 35 HB3 SER 35 13.982 -1.071 -4.810 236 HG SER 35 HG SER 35 15.152 -1.000 -2.977 237 H GLY 36 H GLY 36 14.322 0.055 -6.556 238 HA2 GLY 36 HA2 GLY 36 12.219 -0.733 -8.282 239 HA3 GLY 36 HA3 GLY 36 12.739 0.896 -8.685 240 H TYR 37 H TYR 37 12.931 -1.475 -10.324 241 HA TYR 37 HA TYR 37 15.652 -1.191 -11.151 242 HB2 TYR 37 HB2 TYR 37 16.352 -3.503 -10.860 243 HB3 TYR 37 HB3 TYR 37 15.930 -2.808 -9.300 244 HD1 TYR 37 HD1 TYR 37 14.855 -5.152 -11.932 245 HD2 TYR 37 HD2 TYR 37 14.096 -3.662 -8.019 246 HE1 TYR 37 HE1 TYR 37 13.302 -7.016 -11.530 247 HE2 TYR 37 HE2 TYR 37 12.542 -5.524 -7.606 248 HH TYR 37 HH TYR 37 12.061 -7.734 -8.412 249 H CYS 38 H CYS 38 16.127 -2.654 -13.053 250 HA CYS 38 HA CYS 38 13.927 -2.502 -14.880 251 HB2 CYS 38 HB2 CYS 38 16.123 -2.015 -15.720 252 HB3 CYS 38 HB3 CYS 38 16.741 -3.566 -15.161 253 H GLN 39 H GLN 39 12.412 -3.987 -15.160 254 HA GLN 39 HA GLN 39 12.961 -6.747 -14.314 255 HB2 GLN 39 HB2 GLN 39 11.046 -5.463 -13.268 256 HB3 GLN 39 HB3 GLN 39 10.258 -5.512 -14.840 257 HG2 GLN 39 HG2 GLN 39 9.318 -7.382 -14.068 258 HG3 GLN 39 HG3 GLN 39 10.861 -8.129 -14.479 259 HE21 GLN 39 HE21 GLN 39 8.839 -6.939 -11.919 260 HE22 GLN 39 HE22 GLN 39 9.718 -7.654 -10.616 261 H ILE 40 H ILE 40 13.002 -8.355 -15.754 262 HA ILE 40 HA ILE 40 12.478 -7.701 -18.554 263 HB ILE 40 HB ILE 40 13.666 -10.271 -17.533 264 HG12 ILE 40 HG12 ILE 40 15.887 -9.125 -18.108 265 HG13 ILE 40 HG13 ILE 40 14.995 -7.610 -18.029 266 HG21 ILE 40 HG21 ILE 40 14.849 -9.769 -19.893 267 HG22 ILE 40 HG22 ILE 40 13.348 -10.679 -19.730 268 HG23 ILE 40 HG23 ILE 40 13.299 -8.968 -20.153 269 HD11 ILE 40 HD11 ILE 40 14.785 -7.696 -15.772 270 HD12 ILE 40 HD12 ILE 40 14.775 -9.459 -15.726 271 HD13 ILE 40 HD13 ILE 40 16.293 -8.592 -15.953 272 H LEU 41 H LEU 41 11.387 -9.830 -15.991 273 HA LEU 41 HA LEU 41 9.704 -11.423 -17.674 274 HB2 LEU 41 HB2 LEU 41 10.735 -11.847 -15.264 275 HB3 LEU 41 HB3 LEU 41 9.183 -11.184 -14.760 276 HG LEU 41 HG LEU 41 9.348 -13.703 -14.875 277 HD11 LEU 41 HD11 LEU 41 7.115 -13.905 -15.408 278 HD12 LEU 41 HD12 LEU 41 7.211 -12.731 -16.720 279 HD13 LEU 41 HD13 LEU 41 7.242 -12.184 -15.043 280 HD21 LEU 41 HD21 LEU 41 9.409 -14.819 -16.911 281 HD22 LEU 41 HD22 LEU 41 10.611 -13.545 -17.118 282 HD23 LEU 41 HD23 LEU 41 9.007 -13.369 -17.832 283 H GLY 42 H GLY 42 9.104 -8.882 -18.340 284 HA2 GLY 42 HA2 GLY 42 6.631 -8.201 -16.901 285 HA3 GLY 42 HA3 GLY 42 7.511 -7.133 -17.983 286 H LYS 43 H LYS 43 4.655 -8.217 -17.836 287 HA LYS 43 HA LYS 43 4.101 -9.914 -19.956 288 HB2 LYS 43 HB2 LYS 43 2.351 -9.350 -18.440 289 HB3 LYS 43 HB3 LYS 43 2.516 -7.633 -18.781 290 HG2 LYS 43 HG2 LYS 43 1.631 -7.938 -20.998 291 HG3 LYS 43 HG3 LYS 43 1.585 -9.688 -20.775 292 HD2 LYS 43 HD2 LYS 43 -0.060 -9.438 -19.000 293 HD3 LYS 43 HD3 LYS 43 0.018 -7.681 -19.153 294 HE2 LYS 43 HE2 LYS 43 -1.858 -8.170 -20.397 295 HE3 LYS 43 HE3 LYS 43 -0.608 -8.152 -21.640 296 HZ1 LYS 43 HZ1 LYS 43 -2.312 -10.115 -21.454 297 HZ2 LYS 43 HZ2 LYS 43 -1.203 -10.695 -20.316 298 HZ3 LYS 43 HZ3 LYS 43 -0.706 -10.397 -21.905 299 H TYR 44 H TYR 44 5.098 -6.604 -19.987 300 HA TYR 44 HA TYR 44 4.608 -6.473 -22.889 301 HB2 TYR 44 HB2 TYR 44 5.264 -4.020 -21.328 302 HB3 TYR 44 HB3 TYR 44 4.229 -4.209 -22.740 303 HD1 TYR 44 HD1 TYR 44 4.400 -4.363 -19.092 304 HD2 TYR 44 HD2 TYR 44 1.903 -4.902 -22.494 305 HE1 TYR 44 HE1 TYR 44 2.421 -4.351 -17.633 306 HE2 TYR 44 HE2 TYR 44 -0.084 -4.890 -21.045 307 HH TYR 44 HH TYR 44 -0.714 -4.005 -18.792 308 H GLY 45 H GLY 45 6.895 -7.693 -21.377 309 HA2 GLY 45 HA2 GLY 45 9.089 -7.980 -22.200 310 HA3 GLY 45 HA3 GLY 45 8.999 -6.383 -22.929 311 H ASN 46 H ASN 46 10.571 -5.187 -22.081 312 HA ASN 46 HA ASN 46 11.282 -5.503 -19.270 313 HB2 ASN 46 HB2 ASN 46 12.573 -4.018 -21.560 314 HB3 ASN 46 HB3 ASN 46 13.144 -3.892 -19.899 315 HD21 ASN 46 HD21 ASN 46 13.658 -5.979 -18.827 316 HD22 ASN 46 HD22 ASN 46 14.419 -7.201 -19.782 317 H ALA 47 H ALA 47 10.392 -4.257 -17.775 318 HA ALA 47 HA ALA 47 9.791 -1.460 -18.412 319 HB1 ALA 47 HB1 ALA 47 7.843 -3.545 -17.705 320 HB2 ALA 47 HB2 ALA 47 7.688 -2.032 -16.811 321 HB3 ALA 47 HB3 ALA 47 7.620 -2.026 -18.573 322 H CYS 48 H CYS 48 9.789 -0.053 -16.619 323 HA CYS 48 HA CYS 48 11.632 -0.718 -14.583 324 HB2 CYS 48 HB2 CYS 48 11.248 1.585 -15.463 325 HB3 CYS 48 HB3 CYS 48 9.693 1.603 -14.638 326 H TRP 49 H TRP 49 11.199 -2.132 -13.022 327 HA TRP 49 HA TRP 49 8.497 -2.300 -11.922 328 HB2 TRP 49 HB2 TRP 49 9.527 -4.408 -12.551 329 HB3 TRP 49 HB3 TRP 49 10.926 -4.063 -11.537 330 HD1 TRP 49 HD1 TRP 49 10.579 -4.260 -8.865 331 HE1 TRP 49 HE1 TRP 49 8.867 -5.587 -7.474 332 HE3 TRP 49 HE3 TRP 49 7.137 -5.221 -12.520 333 HZ2 TRP 49 HZ2 TRP 49 6.386 -6.871 -7.874 334 HZ3 TRP 49 HZ3 TRP 49 5.122 -6.506 -11.933 335 HH2 TRP 49 HH2 TRP 49 4.756 -7.314 -9.658 336 H CYS 50 H CYS 50 8.019 -1.085 -10.224 337 HA CYS 50 HA CYS 50 10.154 -0.187 -8.440 338 HB2 CYS 50 HB2 CYS 50 7.252 0.663 -8.495 339 HB3 CYS 50 HB3 CYS 50 8.564 1.446 -7.619 340 H ILE 51 H ILE 51 10.203 -0.610 -6.261 341 HA ILE 51 HA ILE 51 8.403 -2.751 -5.351 342 HB ILE 51 HB ILE 51 11.148 -1.993 -4.347 343 HG12 ILE 51 HG12 ILE 51 10.725 -3.291 -6.606 344 HG13 ILE 51 HG13 ILE 51 11.997 -3.803 -5.501 345 HG21 ILE 51 HG21 ILE 51 9.949 -2.772 -2.472 346 HG22 ILE 51 HG22 ILE 51 9.173 -4.052 -3.404 347 HG23 ILE 51 HG23 ILE 51 10.896 -4.148 -3.038 348 HD11 ILE 51 HD11 ILE 51 10.515 -5.514 -4.593 349 HD12 ILE 51 HD12 ILE 51 9.245 -5.001 -5.705 350 HD13 ILE 51 HD13 ILE 51 10.738 -5.699 -6.332 351 H GLN 52 H GLN 52 7.111 -2.457 -3.633 352 HA GLN 52 HA GLN 52 6.046 -1.466 -1.884 353 HB2 GLN 52 HB2 GLN 52 8.843 -0.505 -1.568 354 HB3 GLN 52 HB3 GLN 52 7.594 0.323 -0.647 355 HG2 GLN 52 HG2 GLN 52 7.776 -2.657 -0.589 356 HG3 GLN 52 HG3 GLN 52 8.853 -1.676 0.404 357 HE21 GLN 52 HE21 GLN 52 5.737 -2.986 0.060 358 HE22 GLN 52 HE22 GLN 52 5.028 -2.286 1.471 359 H LEU 53 H LEU 53 5.568 -0.436 -4.407 360 HA LEU 53 HA LEU 53 5.675 2.456 -4.263 361 HB2 LEU 53 HB2 LEU 53 5.940 1.052 -6.372 362 HB3 LEU 53 HB3 LEU 53 4.196 0.810 -6.297 363 HG LEU 53 HG LEU 53 3.930 3.296 -6.428 364 HD11 LEU 53 HD11 LEU 53 6.467 3.520 -5.722 365 HD12 LEU 53 HD12 LEU 53 5.675 4.726 -6.735 366 HD13 LEU 53 HD13 LEU 53 6.703 3.496 -7.469 367 HD21 LEU 53 HD21 LEU 53 4.173 1.468 -8.399 368 HD22 LEU 53 HD22 LEU 53 5.440 2.607 -8.860 369 HD23 LEU 53 HD23 LEU 53 3.777 3.165 -8.671 370 HA PRO 54 HA PRO 54 1.768 2.920 -2.262 371 HB2 PRO 54 HB2 PRO 54 1.335 5.527 -2.884 372 HB3 PRO 54 HB3 PRO 54 2.505 5.012 -1.663 373 HG2 PRO 54 HG2 PRO 54 2.966 5.808 -4.512 374 HG3 PRO 54 HG3 PRO 54 3.896 6.241 -3.065 375 HD2 PRO 54 HD2 PRO 54 4.690 4.303 -4.781 376 HD3 PRO 54 HD3 PRO 54 5.030 4.234 -3.040 377 H ASP 55 H ASP 55 -0.388 2.871 -2.768 378 HA ASP 55 HA ASP 55 -1.129 2.246 -5.420 379 HB2 ASP 55 HB2 ASP 55 -2.626 2.717 -2.869 380 HB3 ASP 55 HB3 ASP 55 -3.516 2.604 -4.384 381 H ASN 56 H ASN 56 -0.427 5.189 -4.086 382 HA ASN 56 HA ASN 56 -2.454 6.774 -5.367 383 HB2 ASN 56 HB2 ASN 56 0.203 7.665 -4.228 384 HB3 ASN 56 HB3 ASN 56 -1.183 8.690 -4.588 385 HD21 ASN 56 HD21 ASN 56 -0.179 8.859 -2.138 386 HD22 ASN 56 HD22 ASN 56 -1.203 8.085 -0.982 387 H VAL 57 H VAL 57 0.705 5.569 -6.179 388 HA VAL 57 HA VAL 57 0.987 7.318 -8.477 389 HB VAL 57 HB VAL 57 2.704 4.936 -7.789 390 HG11 VAL 57 HG11 VAL 57 2.906 5.908 -10.063 391 HG12 VAL 57 HG12 VAL 57 3.347 7.450 -9.326 392 HG13 VAL 57 HG13 VAL 57 4.384 6.039 -9.111 393 HG21 VAL 57 HG21 VAL 57 3.581 7.662 -7.045 394 HG22 VAL 57 HG22 VAL 57 2.334 6.925 -6.038 395 HG23 VAL 57 HG23 VAL 57 3.887 6.116 -6.254 396 HA PRO 58 HA PRO 58 -1.138 4.639 -11.273 397 HB2 PRO 58 HB2 PRO 58 -0.190 5.693 -13.588 398 HB3 PRO 58 HB3 PRO 58 -1.408 6.499 -12.594 399 HG2 PRO 58 HG2 PRO 58 1.542 6.986 -12.740 400 HG3 PRO 58 HG3 PRO 58 0.216 8.161 -12.673 401 HD2 PRO 58 HD2 PRO 58 1.691 7.502 -10.499 402 HD3 PRO 58 HD3 PRO 58 -0.024 7.948 -10.390 403 H ILE 59 H ILE 59 -0.752 2.784 -12.414 404 HA ILE 59 HA ILE 59 2.070 2.072 -12.882 405 HB ILE 59 HB ILE 59 1.465 -0.280 -12.416 406 HG12 ILE 59 HG12 ILE 59 -1.128 0.829 -11.331 407 HG13 ILE 59 HG13 ILE 59 -0.990 0.050 -12.903 408 HG21 ILE 59 HG21 ILE 59 2.421 1.262 -10.691 409 HG22 ILE 59 HG22 ILE 59 0.781 1.506 -10.091 410 HG23 ILE 59 HG23 ILE 59 1.509 -0.099 -10.039 411 HD11 ILE 59 HD11 ILE 59 -1.822 -1.528 -11.311 412 HD12 ILE 59 HD12 ILE 59 -0.180 -1.990 -11.760 413 HD13 ILE 59 HD13 ILE 59 -0.481 -1.196 -10.214 414 H ARG 60 H ARG 60 2.306 0.256 -14.491 415 HA ARG 60 HA ARG 60 1.090 0.996 -16.931 416 HB2 ARG 60 HB2 ARG 60 3.217 0.071 -17.167 417 HB3 ARG 60 HB3 ARG 60 2.868 -1.258 -16.070 418 HG2 ARG 60 HG2 ARG 60 3.064 -1.967 -18.418 419 HG3 ARG 60 HG3 ARG 60 1.482 -2.323 -17.722 420 HD2 ARG 60 HD2 ARG 60 0.410 -0.870 -19.082 421 HD3 ARG 60 HD3 ARG 60 1.740 0.287 -19.067 422 HE ARG 60 HE ARG 60 2.637 -1.871 -20.524 423 HH11 ARG 60 HH11 ARG 60 0.014 0.409 -20.730 424 HH12 ARG 60 HH12 ARG 60 -0.072 0.352 -22.459 425 HH21 ARG 60 HH21 ARG 60 2.534 -1.954 -22.801 426 HH22 ARG 60 HH22 ARG 60 1.361 -0.992 -23.636 427 H ILE 61 H ILE 61 -0.741 0.355 -17.865 428 HA ILE 61 HA ILE 61 -1.980 -2.164 -17.020 429 HB ILE 61 HB ILE 61 -4.223 -0.794 -17.265 430 HG12 ILE 61 HG12 ILE 61 -2.280 1.299 -16.263 431 HG13 ILE 61 HG13 ILE 61 -3.067 1.320 -17.837 432 HG21 ILE 61 HG21 ILE 61 -3.201 -2.047 -15.269 433 HG22 ILE 61 HG22 ILE 61 -2.700 -0.453 -14.706 434 HG23 ILE 61 HG23 ILE 61 -4.412 -0.807 -14.940 435 HD11 ILE 61 HD11 ILE 61 -3.991 2.671 -15.753 436 HD12 ILE 61 HD12 ILE 61 -5.054 1.985 -16.983 437 HD13 ILE 61 HD13 ILE 61 -4.810 1.138 -15.455 438 HA PRO 62 HA PRO 62 -2.800 -2.783 -21.288 439 HB2 PRO 62 HB2 PRO 62 -5.115 -4.197 -21.188 440 HB3 PRO 62 HB3 PRO 62 -3.552 -4.878 -20.720 441 HG2 PRO 62 HG2 PRO 62 -5.730 -3.770 -18.990 442 HG3 PRO 62 HG3 PRO 62 -4.751 -5.231 -18.759 443 HD2 PRO 62 HD2 PRO 62 -4.241 -2.914 -17.453 444 HD3 PRO 62 HD3 PRO 62 -2.958 -4.050 -17.920 445 H GLY 63 H GLY 63 -3.215 -0.358 -21.402 446 HA2 GLY 63 HA2 GLY 63 -5.951 0.034 -22.400 447 HA3 GLY 63 HA3 GLY 63 -5.307 1.174 -21.228 448 H LYS 64 H LYS 64 -6.011 2.470 -23.285 449 HA LYS 64 HA LYS 64 -4.158 2.476 -25.468 450 HB2 LYS 64 HB2 LYS 64 -6.284 4.455 -24.632 451 HB3 LYS 64 HB3 LYS 64 -5.348 4.582 -26.116 452 HG2 LYS 64 HG2 LYS 64 -6.364 2.719 -27.065 453 HG3 LYS 64 HG3 LYS 64 -6.928 2.114 -25.505 454 HD2 LYS 64 HD2 LYS 64 -8.834 2.984 -26.609 455 HD3 LYS 64 HD3 LYS 64 -8.393 4.171 -25.380 456 HE2 LYS 64 HE2 LYS 64 -7.222 4.496 -28.087 457 HE3 LYS 64 HE3 LYS 64 -8.939 4.850 -27.896 458 HZ1 LYS 64 HZ1 LYS 64 -7.256 6.729 -27.547 459 HZ2 LYS 64 HZ2 LYS 64 -6.949 6.005 -26.050 460 HZ3 LYS 64 HZ3 LYS 64 -8.504 6.560 -26.418 461 H CYS 65 H CYS 65 -2.128 3.136 -25.227 462 HA CYS 65 HA CYS 65 -1.496 5.217 -23.277 463 HB2 CYS 65 HB2 CYS 65 0.002 3.445 -23.029 464 HB3 CYS 65 HB3 CYS 65 0.119 3.173 -24.764 465 H HIS 66 H HIS 66 0.094 6.899 -23.911 466 HA HIS 66 HA HIS 66 -0.716 8.709 -25.660 467 HB2 HIS 66 HB2 HIS 66 1.552 9.543 -25.894 468 HB3 HIS 66 HB3 HIS 66 1.312 8.949 -24.253 469 HD1 HIS 66 HD1 HIS 66 3.997 8.825 -24.262 470 HD2 HIS 66 HD2 HIS 66 2.025 6.113 -26.716 471 HE1 HIS 66 HE1 HIS 66 5.696 7.053 -24.807 Start of MODEL 10 1 H ALA 1 H ALA 1 2.629 -0.134 1.456 2 HA ALA 1 HA ALA 1 1.506 0.727 -1.126 3 HB1 ALA 1 HB1 ALA 1 4.012 1.247 0.153 4 HB2 ALA 1 HB2 ALA 1 4.290 0.403 -1.371 5 HB3 ALA 1 HB3 ALA 1 3.370 1.908 -1.351 6 H ARG 2 H ARG 2 2.895 -0.440 -2.981 7 HA ARG 2 HA ARG 2 3.281 -3.264 -2.418 8 HB2 ARG 2 HB2 ARG 2 1.608 -4.107 -3.785 9 HB3 ARG 2 HB3 ARG 2 0.802 -2.744 -3.020 10 HG2 ARG 2 HG2 ARG 2 1.770 -1.515 -5.193 11 HG3 ARG 2 HG3 ARG 2 1.591 -3.150 -5.832 12 HD2 ARG 2 HD2 ARG 2 -0.720 -3.181 -5.392 13 HD3 ARG 2 HD3 ARG 2 -0.619 -1.775 -4.333 14 HE ARG 2 HE ARG 2 -1.020 -1.744 -7.126 15 HH11 ARG 2 HH11 ARG 2 0.697 -0.066 -4.605 16 HH12 ARG 2 HH12 ARG 2 0.722 1.446 -5.449 17 HH21 ARG 2 HH21 ARG 2 -0.993 0.242 -8.248 18 HH22 ARG 2 HH22 ARG 2 -0.240 1.620 -7.521 19 H ASP 3 H ASP 3 3.761 -4.397 -4.664 20 HA ASP 3 HA ASP 3 5.716 -2.670 -6.025 21 HB2 ASP 3 HB2 ASP 3 5.635 -5.678 -5.719 22 HB3 ASP 3 HB3 ASP 3 6.829 -4.807 -6.678 23 H ALA 4 H ALA 4 5.729 -2.478 -8.223 24 HA ALA 4 HA ALA 4 4.308 -4.166 -9.994 25 HB1 ALA 4 HB1 ALA 4 2.923 -1.694 -9.044 26 HB2 ALA 4 HB2 ALA 4 2.667 -2.276 -10.689 27 HB3 ALA 4 HB3 ALA 4 2.271 -3.310 -9.316 28 H TYR 5 H TYR 5 3.887 -2.746 -12.164 29 HA TYR 5 HA TYR 5 6.522 -1.654 -12.777 30 HB2 TYR 5 HB2 TYR 5 4.259 -2.198 -14.702 31 HB3 TYR 5 HB3 TYR 5 5.962 -1.974 -15.085 32 HD1 TYR 5 HD1 TYR 5 3.431 -4.309 -13.885 33 HD2 TYR 5 HD2 TYR 5 7.583 -3.756 -14.631 34 HE1 TYR 5 HE1 TYR 5 3.774 -6.740 -13.739 35 HE2 TYR 5 HE2 TYR 5 7.938 -6.186 -14.489 36 HH TYR 5 HH TYR 5 5.702 -8.393 -14.802 37 H ILE 6 H ILE 6 6.897 0.450 -12.928 38 HA ILE 6 HA ILE 6 4.787 2.355 -12.581 39 HB ILE 6 HB ILE 6 6.888 2.861 -11.564 40 HG12 ILE 6 HG12 ILE 6 6.756 4.711 -13.940 41 HG13 ILE 6 HG13 ILE 6 5.516 4.714 -12.691 42 HG21 ILE 6 HG21 ILE 6 8.824 3.428 -13.264 43 HG22 ILE 6 HG22 ILE 6 8.571 1.786 -12.674 44 HG23 ILE 6 HG23 ILE 6 7.971 2.253 -14.265 45 HD11 ILE 6 HD11 ILE 6 7.718 6.270 -12.668 46 HD12 ILE 6 HD12 ILE 6 6.825 5.787 -11.225 47 HD13 ILE 6 HD13 ILE 6 8.272 4.900 -11.705 48 H ALA 7 H ALA 7 3.805 3.630 -14.051 49 HA ALA 7 HA ALA 7 4.811 3.626 -16.811 50 HB1 ALA 7 HB1 ALA 7 2.263 3.569 -17.422 51 HB2 ALA 7 HB2 ALA 7 3.149 2.074 -17.118 52 HB3 ALA 7 HB3 ALA 7 2.122 2.762 -15.860 53 H LYS 8 H LYS 8 4.547 5.518 -17.920 54 HA LYS 8 HA LYS 8 3.553 7.789 -16.352 55 HB2 LYS 8 HB2 LYS 8 5.262 8.969 -17.190 56 HB3 LYS 8 HB3 LYS 8 5.891 7.443 -17.797 57 HG2 LYS 8 HG2 LYS 8 4.686 7.818 -19.912 58 HG3 LYS 8 HG3 LYS 8 4.140 9.380 -19.298 59 HD2 LYS 8 HD2 LYS 8 6.332 10.249 -19.274 60 HD3 LYS 8 HD3 LYS 8 7.053 8.649 -19.458 61 HE2 LYS 8 HE2 LYS 8 5.910 8.538 -21.711 62 HE3 LYS 8 HE3 LYS 8 5.539 10.250 -21.509 63 HZ1 LYS 8 HZ1 LYS 8 7.595 10.803 -22.084 64 HZ2 LYS 8 HZ2 LYS 8 7.836 9.198 -22.560 65 HZ3 LYS 8 HZ3 LYS 8 8.291 9.697 -21.009 66 HA PRO 9 HA PRO 9 0.115 8.570 -18.963 67 HB2 PRO 9 HB2 PRO 9 0.124 11.278 -19.157 68 HB3 PRO 9 HB3 PRO 9 -0.325 10.423 -17.677 69 HG2 PRO 9 HG2 PRO 9 2.278 11.709 -18.407 70 HG3 PRO 9 HG3 PRO 9 1.399 11.757 -16.868 71 HD2 PRO 9 HD2 PRO 9 3.517 10.122 -17.284 72 HD3 PRO 9 HD3 PRO 9 2.166 9.683 -16.219 73 H HIS 10 H HIS 10 0.639 9.272 -22.330 74 HA HIS 10 HA HIS 10 -1.042 8.830 -19.966 75 HB2 HIS 10 HB2 HIS 10 -1.615 9.421 -22.842 76 HB3 HIS 10 HB3 HIS 10 -2.826 8.573 -21.885 77 HD1 HIS 10 HD1 HIS 10 -3.491 11.331 -22.959 78 HD2 HIS 10 HD2 HIS 10 -1.768 10.687 -19.234 79 HE1 HIS 10 HE1 HIS 10 -4.052 13.369 -21.597 80 H ASN 11 H ASN 11 -0.552 6.817 -19.240 81 HA ASN 11 HA ASN 11 -0.605 4.545 -19.123 82 HB2 ASN 11 HB2 ASN 11 -2.830 4.757 -20.153 83 HB3 ASN 11 HB3 ASN 11 -2.092 4.745 -21.752 84 HD21 ASN 11 HD21 ASN 11 -3.959 2.923 -20.143 85 HD22 ASN 11 HD22 ASN 11 -3.295 1.349 -20.399 86 H CYS 12 H CYS 12 1.749 4.860 -19.465 87 HA CYS 12 HA CYS 12 2.610 3.301 -21.786 88 HB2 CYS 12 HB2 CYS 12 4.106 5.782 -20.946 89 HB3 CYS 12 HB3 CYS 12 4.347 4.808 -22.393 90 H VAL 13 H VAL 13 4.433 2.047 -21.446 91 HA VAL 13 HA VAL 13 5.066 1.535 -18.669 92 HB VAL 13 HB VAL 13 5.845 -0.502 -19.317 93 HG11 VAL 13 HG11 VAL 13 3.555 0.085 -20.435 94 HG12 VAL 13 HG12 VAL 13 4.477 -0.061 -21.932 95 HG13 VAL 13 HG13 VAL 13 4.372 -1.428 -20.822 96 HG21 VAL 13 HG21 VAL 13 7.771 -0.156 -20.484 97 HG22 VAL 13 HG22 VAL 13 6.753 -0.737 -21.801 98 HG23 VAL 13 HG23 VAL 13 7.025 0.993 -21.595 99 H TYR 14 H TYR 14 7.231 1.427 -17.845 100 HA TYR 14 HA TYR 14 8.974 3.454 -19.061 101 HB2 TYR 14 HB2 TYR 14 8.412 2.606 -16.274 102 HB3 TYR 14 HB3 TYR 14 10.067 3.088 -16.630 103 HD1 TYR 14 HD1 TYR 14 6.766 4.219 -15.875 104 HD2 TYR 14 HD2 TYR 14 10.425 5.384 -17.706 105 HE1 TYR 14 HE1 TYR 14 6.117 6.581 -15.654 106 HE2 TYR 14 HE2 TYR 14 9.787 7.750 -17.489 107 HH TYR 14 HH TYR 14 8.147 9.068 -15.822 108 H GLU 15 H GLU 15 9.989 2.123 -20.584 109 HA GLU 15 HA GLU 15 11.166 -0.369 -20.005 110 HB2 GLU 15 HB2 GLU 15 12.115 -0.273 -22.143 111 HB3 GLU 15 HB3 GLU 15 10.643 0.677 -22.292 112 HG2 GLU 15 HG2 GLU 15 13.373 1.847 -21.821 113 HG3 GLU 15 HG3 GLU 15 12.618 1.677 -23.405 114 H CYS 16 H CYS 16 13.131 -0.951 -19.250 115 HA CYS 16 HA CYS 16 14.719 1.100 -17.963 116 HB2 CYS 16 HB2 CYS 16 15.789 -0.646 -16.798 117 HB3 CYS 16 HB3 CYS 16 14.120 -1.180 -16.959 118 H TYR 17 H TYR 17 16.586 1.914 -18.678 119 HA TYR 17 HA TYR 17 17.672 0.847 -21.184 120 HB2 TYR 17 HB2 TYR 17 17.135 3.168 -21.351 121 HB3 TYR 17 HB3 TYR 17 17.946 3.533 -19.832 122 HD1 TYR 17 HD1 TYR 17 20.143 4.295 -19.855 123 HD2 TYR 17 HD2 TYR 17 18.630 2.247 -23.264 124 HE1 TYR 17 HE1 TYR 17 22.211 4.818 -21.080 125 HE2 TYR 17 HE2 TYR 17 20.694 2.764 -24.498 126 HH TYR 17 HH TYR 17 23.160 3.297 -23.818 127 H ASN 18 H ASN 18 18.563 1.686 -17.884 128 HA ASN 18 HA ASN 18 21.246 0.573 -18.343 129 HB2 ASN 18 HB2 ASN 18 20.737 2.940 -17.268 130 HB3 ASN 18 HB3 ASN 18 20.523 1.979 -15.808 131 HD21 ASN 18 HD21 ASN 18 22.393 3.492 -15.301 132 HD22 ASN 18 HD22 ASN 18 23.976 2.867 -15.598 133 HA PRO 19 HA PRO 19 19.119 -2.820 -16.094 134 HB2 PRO 19 HB2 PRO 19 20.536 -4.791 -17.309 135 HB3 PRO 19 HB3 PRO 19 19.089 -4.069 -18.022 136 HG2 PRO 19 HG2 PRO 19 21.971 -3.495 -18.595 137 HG3 PRO 19 HG3 PRO 19 20.620 -3.679 -19.729 138 HD2 PRO 19 HD2 PRO 19 21.575 -1.258 -18.980 139 HD3 PRO 19 HD3 PRO 19 19.865 -1.530 -19.373 140 H LYS 20 H LYS 20 22.504 -2.080 -16.635 141 HA LYS 20 HA LYS 20 23.310 -3.696 -14.338 142 HB2 LYS 20 HB2 LYS 20 24.715 -2.429 -16.632 143 HB3 LYS 20 HB3 LYS 20 25.617 -2.597 -15.131 144 HG2 LYS 20 HG2 LYS 20 24.162 -4.964 -16.190 145 HG3 LYS 20 HG3 LYS 20 25.666 -4.468 -16.969 146 HD2 LYS 20 HD2 LYS 20 26.913 -4.785 -15.000 147 HD3 LYS 20 HD3 LYS 20 25.464 -4.843 -13.994 148 HE2 LYS 20 HE2 LYS 20 26.274 -7.072 -14.203 149 HE3 LYS 20 HE3 LYS 20 24.824 -6.945 -15.197 150 HZ1 LYS 20 HZ1 LYS 20 27.636 -7.154 -16.043 151 HZ2 LYS 20 HZ2 LYS 20 26.502 -6.428 -17.067 152 HZ3 LYS 20 HZ3 LYS 20 26.293 -8.034 -16.575 153 H GLY 21 H GLY 21 21.707 -1.167 -14.167 154 HA2 GLY 21 HA2 GLY 21 23.399 0.115 -12.144 155 HA3 GLY 21 HA3 GLY 21 22.719 1.125 -13.411 156 H SER 22 H SER 22 21.998 1.999 -11.115 157 HA SER 22 HA SER 22 19.534 0.694 -10.241 158 HB2 SER 22 HB2 SER 22 21.248 2.885 -9.087 159 HB3 SER 22 HB3 SER 22 19.620 2.581 -8.482 160 HG SER 22 HG SER 22 21.644 1.424 -7.576 161 H TYR 23 H TYR 23 19.742 2.066 -12.830 162 HA TYR 23 HA TYR 23 18.608 4.597 -12.864 163 HB2 TYR 23 HB2 TYR 23 19.514 3.498 -14.863 164 HB3 TYR 23 HB3 TYR 23 18.183 2.346 -14.842 165 HD1 TYR 23 HD1 TYR 23 18.205 6.050 -14.379 166 HD2 TYR 23 HD2 TYR 23 16.912 2.754 -16.739 167 HE1 TYR 23 HE1 TYR 23 16.870 7.577 -15.770 168 HE2 TYR 23 HE2 TYR 23 15.575 4.272 -18.137 169 HH TYR 23 HH TYR 23 15.132 7.632 -17.298 170 H CYS 24 H CYS 24 16.882 1.498 -13.269 171 HA CYS 24 HA CYS 24 14.299 2.548 -13.189 172 HB2 CYS 24 HB2 CYS 24 14.674 0.296 -13.959 173 HB3 CYS 24 HB3 CYS 24 15.327 -0.180 -12.395 174 H ASN 25 H ASN 25 16.498 1.681 -10.608 175 HA ASN 25 HA ASN 25 14.637 1.683 -8.487 176 HB2 ASN 25 HB2 ASN 25 17.177 0.936 -8.621 177 HB3 ASN 25 HB3 ASN 25 17.451 2.571 -8.027 178 HD21 ASN 25 HD21 ASN 25 16.493 3.178 -6.017 179 HD22 ASN 25 HD22 ASN 25 16.143 1.979 -4.825 180 H ASP 26 H ASP 26 16.949 4.204 -9.502 181 HA ASP 26 HA ASP 26 16.135 6.197 -7.754 182 HB2 ASP 26 HB2 ASP 26 17.289 6.363 -10.538 183 HB3 ASP 26 HB3 ASP 26 17.012 7.785 -9.537 184 H LEU 27 H LEU 27 14.963 5.522 -11.041 185 HA LEU 27 HA LEU 27 13.094 7.627 -11.143 186 HB2 LEU 27 HB2 LEU 27 13.453 6.816 -13.228 187 HB3 LEU 27 HB3 LEU 27 13.623 5.153 -12.669 188 HG LEU 27 HG LEU 27 11.206 4.931 -12.526 189 HD11 LEU 27 HD11 LEU 27 11.101 7.594 -12.191 190 HD12 LEU 27 HD12 LEU 27 9.723 6.620 -12.702 191 HD13 LEU 27 HD13 LEU 27 10.682 7.486 -13.901 192 HD21 LEU 27 HD21 LEU 27 11.434 6.113 -15.209 193 HD22 LEU 27 HD22 LEU 27 10.980 4.480 -14.719 194 HD23 LEU 27 HD23 LEU 27 12.682 4.938 -14.793 195 H CYS 28 H CYS 28 12.853 4.289 -10.030 196 HA CYS 28 HA CYS 28 10.055 4.243 -9.659 197 HB2 CYS 28 HB2 CYS 28 12.351 2.615 -8.645 198 HB3 CYS 28 HB3 CYS 28 10.768 2.410 -7.903 199 H THR 29 H THR 29 12.663 4.627 -7.254 200 HA THR 29 HA THR 29 10.956 5.269 -5.108 201 HB THR 29 HB THR 29 12.845 5.628 -3.843 202 HG1 THR 29 HG1 THR 29 13.882 6.818 -6.186 203 HG21 THR 29 HG21 THR 29 13.017 3.589 -5.717 204 HG22 THR 29 HG22 THR 29 13.982 3.745 -4.249 205 HG23 THR 29 HG23 THR 29 14.599 4.363 -5.780 206 H GLU 30 H GLU 30 12.510 7.235 -7.567 207 HA GLU 30 HA GLU 30 12.227 9.762 -6.459 208 HB2 GLU 30 HB2 GLU 30 13.473 9.496 -8.482 209 HB3 GLU 30 HB3 GLU 30 12.076 8.848 -9.330 210 HG2 GLU 30 HG2 GLU 30 10.970 11.073 -9.016 211 HG3 GLU 30 HG3 GLU 30 12.512 11.676 -8.413 212 H ASN 31 H ASN 31 9.819 7.602 -7.628 213 HA ASN 31 HA ASN 31 7.802 9.738 -7.635 214 HB2 ASN 31 HB2 ASN 31 7.695 6.919 -8.730 215 HB3 ASN 31 HB3 ASN 31 6.343 8.047 -8.750 216 HD21 ASN 31 HD21 ASN 31 9.798 8.106 -9.573 217 HD22 ASN 31 HD22 ASN 31 9.590 8.872 -11.108 218 H GLY 32 H GLY 32 9.051 8.370 -5.261 219 HA2 GLY 32 HA2 GLY 32 8.172 8.029 -3.129 220 HA3 GLY 32 HA3 GLY 32 6.564 7.943 -3.834 221 H ALA 33 H ALA 33 9.617 6.114 -3.727 222 HA ALA 33 HA ALA 33 8.125 3.698 -3.111 223 HB1 ALA 33 HB1 ALA 33 8.235 2.767 -5.120 224 HB2 ALA 33 HB2 ALA 33 8.966 4.240 -5.757 225 HB3 ALA 33 HB3 ALA 33 9.990 2.950 -5.127 226 H GLU 34 H GLU 34 9.440 1.995 -2.280 227 HA GLU 34 HA GLU 34 11.688 2.944 -0.792 228 HB2 GLU 34 HB2 GLU 34 9.939 1.129 -0.154 229 HB3 GLU 34 HB3 GLU 34 10.972 0.043 -1.073 230 HG2 GLU 34 HG2 GLU 34 11.425 0.017 1.349 231 HG3 GLU 34 HG3 GLU 34 12.825 0.473 0.380 232 H SER 35 H SER 35 11.240 0.991 -3.670 233 HA SER 35 HA SER 35 13.951 1.421 -4.480 234 HB2 SER 35 HB2 SER 35 13.094 -1.306 -3.525 235 HB3 SER 35 HB3 SER 35 14.397 -1.104 -4.697 236 HG SER 35 HG SER 35 15.643 -0.648 -3.083 237 H GLY 36 H GLY 36 14.365 -0.156 -6.500 238 HA2 GLY 36 HA2 GLY 36 12.126 -0.982 -8.016 239 HA3 GLY 36 HA3 GLY 36 12.584 0.647 -8.492 240 H TYR 37 H TYR 37 12.728 -2.127 -9.779 241 HA TYR 37 HA TYR 37 15.393 -1.737 -10.900 242 HB2 TYR 37 HB2 TYR 37 15.802 -4.224 -10.784 243 HB3 TYR 37 HB3 TYR 37 15.868 -3.385 -9.238 244 HD1 TYR 37 HD1 TYR 37 14.966 -4.582 -7.496 245 HD2 TYR 37 HD2 TYR 37 13.190 -4.941 -11.346 246 HE1 TYR 37 HE1 TYR 37 13.301 -6.141 -6.576 247 HE2 TYR 37 HE2 TYR 37 11.520 -6.500 -10.436 248 HH TYR 37 HH TYR 37 10.508 -7.064 -8.282 249 H CYS 38 H CYS 38 15.713 -3.069 -12.887 250 HA CYS 38 HA CYS 38 13.415 -2.821 -14.576 251 HB2 CYS 38 HB2 CYS 38 15.598 -2.314 -15.481 252 HB3 CYS 38 HB3 CYS 38 16.182 -3.928 -15.089 253 H GLN 39 H GLN 39 11.974 -4.323 -15.143 254 HA GLN 39 HA GLN 39 12.431 -7.077 -14.226 255 HB2 GLN 39 HB2 GLN 39 10.448 -5.876 -13.319 256 HB3 GLN 39 HB3 GLN 39 9.819 -5.744 -14.956 257 HG2 GLN 39 HG2 GLN 39 9.188 -7.910 -15.041 258 HG3 GLN 39 HG3 GLN 39 10.527 -8.455 -14.032 259 HE21 GLN 39 HE21 GLN 39 8.190 -9.571 -13.525 260 HE22 GLN 39 HE22 GLN 39 7.482 -8.949 -12.078 261 H ILE 40 H ILE 40 12.764 -8.625 -15.673 262 HA ILE 40 HA ILE 40 12.359 -8.017 -18.503 263 HB ILE 40 HB ILE 40 13.669 -10.502 -17.436 264 HG12 ILE 40 HG12 ILE 40 14.565 -7.798 -17.076 265 HG13 ILE 40 HG13 ILE 40 15.339 -9.294 -16.565 266 HG21 ILE 40 HG21 ILE 40 13.170 -10.529 -19.786 267 HG22 ILE 40 HG22 ILE 40 13.911 -8.945 -20.004 268 HG23 ILE 40 HG23 ILE 40 14.910 -10.335 -19.580 269 HD11 ILE 40 HD11 ILE 40 16.502 -9.472 -18.643 270 HD12 ILE 40 HD12 ILE 40 15.606 -8.110 -19.315 271 HD13 ILE 40 HD13 ILE 40 16.750 -7.849 -17.999 272 H LEU 41 H LEU 41 11.094 -9.992 -15.962 273 HA LEU 41 HA LEU 41 9.726 -11.824 -17.725 274 HB2 LEU 41 HB2 LEU 41 9.508 -11.368 -14.754 275 HB3 LEU 41 HB3 LEU 41 8.681 -12.650 -15.637 276 HG LEU 41 HG LEU 41 10.555 -13.635 -14.574 277 HD11 LEU 41 HD11 LEU 41 11.786 -14.529 -16.417 278 HD12 LEU 41 HD12 LEU 41 11.388 -13.140 -17.426 279 HD13 LEU 41 HD13 LEU 41 10.123 -14.270 -16.944 280 HD21 LEU 41 HD21 LEU 41 12.375 -11.630 -15.883 281 HD22 LEU 41 HD22 LEU 41 12.766 -12.807 -14.629 282 HD23 LEU 41 HD23 LEU 41 11.740 -11.423 -14.251 283 H GLY 42 H GLY 42 9.149 -9.057 -18.185 284 HA2 GLY 42 HA2 GLY 42 6.457 -8.660 -17.123 285 HA3 GLY 42 HA3 GLY 42 7.384 -7.502 -18.066 286 H LYS 43 H LYS 43 4.631 -9.012 -18.211 287 HA LYS 43 HA LYS 43 4.491 -10.543 -20.504 288 HB2 LYS 43 HB2 LYS 43 2.127 -9.364 -20.684 289 HB3 LYS 43 HB3 LYS 43 2.484 -10.511 -19.400 290 HG2 LYS 43 HG2 LYS 43 3.163 -7.733 -18.766 291 HG3 LYS 43 HG3 LYS 43 1.443 -8.033 -19.030 292 HD2 LYS 43 HD2 LYS 43 3.025 -9.864 -17.272 293 HD3 LYS 43 HD3 LYS 43 2.461 -8.313 -16.646 294 HE2 LYS 43 HE2 LYS 43 0.159 -9.015 -17.527 295 HE3 LYS 43 HE3 LYS 43 0.845 -10.635 -17.652 296 HZ1 LYS 43 HZ1 LYS 43 1.441 -9.549 -15.121 297 HZ2 LYS 43 HZ2 LYS 43 0.532 -10.925 -15.494 298 HZ3 LYS 43 HZ3 LYS 43 -0.223 -9.414 -15.398 299 H TYR 44 H TYR 44 5.019 -7.143 -20.190 300 HA TYR 44 HA TYR 44 4.546 -6.712 -23.050 301 HB2 TYR 44 HB2 TYR 44 5.387 -4.494 -21.245 302 HB3 TYR 44 HB3 TYR 44 4.266 -4.473 -22.602 303 HD1 TYR 44 HD1 TYR 44 1.947 -5.331 -22.295 304 HD2 TYR 44 HD2 TYR 44 4.625 -4.865 -19.022 305 HE1 TYR 44 HE1 TYR 44 0.049 -5.435 -20.735 306 HE2 TYR 44 HE2 TYR 44 2.735 -4.970 -17.453 307 HH TYR 44 HH TYR 44 -0.599 -5.095 -18.598 308 H GLY 45 H GLY 45 6.865 -8.184 -21.840 309 HA2 GLY 45 HA2 GLY 45 8.995 -8.438 -22.827 310 HA3 GLY 45 HA3 GLY 45 8.928 -6.760 -23.347 311 H ASN 46 H ASN 46 9.357 -5.097 -21.800 312 HA ASN 46 HA ASN 46 10.528 -5.943 -19.264 313 HB2 ASN 46 HB2 ASN 46 12.028 -4.830 -21.562 314 HB3 ASN 46 HB3 ASN 46 12.405 -4.138 -19.987 315 HD21 ASN 46 HD21 ASN 46 13.358 -5.415 -18.417 316 HD22 ASN 46 HD22 ASN 46 14.075 -6.944 -18.780 317 H ALA 47 H ALA 47 10.039 -4.583 -17.658 318 HA ALA 47 HA ALA 47 9.484 -1.777 -18.231 319 HB1 ALA 47 HB1 ALA 47 7.344 -3.205 -18.369 320 HB2 ALA 47 HB2 ALA 47 7.480 -3.306 -16.613 321 HB3 ALA 47 HB3 ALA 47 7.315 -1.734 -17.395 322 H CYS 48 H CYS 48 9.753 -0.407 -16.470 323 HA CYS 48 HA CYS 48 11.561 -1.270 -14.480 324 HB2 CYS 48 HB2 CYS 48 11.490 1.046 -15.307 325 HB3 CYS 48 HB3 CYS 48 9.898 1.256 -14.585 326 H TRP 49 H TRP 49 11.082 -2.525 -12.811 327 HA TRP 49 HA TRP 49 8.381 -2.494 -11.699 328 HB2 TRP 49 HB2 TRP 49 9.292 -4.682 -12.225 329 HB3 TRP 49 HB3 TRP 49 10.714 -4.363 -11.236 330 HD1 TRP 49 HD1 TRP 49 10.436 -4.541 -8.586 331 HE1 TRP 49 HE1 TRP 49 8.643 -5.654 -7.112 332 HE3 TRP 49 HE3 TRP 49 6.780 -5.182 -12.101 333 HZ2 TRP 49 HZ2 TRP 49 6.025 -6.670 -7.402 334 HZ3 TRP 49 HZ3 TRP 49 4.662 -6.233 -11.421 335 HH2 TRP 49 HH2 TRP 49 4.294 -6.961 -9.120 336 H CYS 50 H CYS 50 7.993 -1.127 -10.093 337 HA CYS 50 HA CYS 50 10.175 -0.296 -8.335 338 HB2 CYS 50 HB2 CYS 50 7.348 0.767 -8.387 339 HB3 CYS 50 HB3 CYS 50 8.765 1.522 -7.665 340 H ILE 51 H ILE 51 10.225 -0.675 -6.166 341 HA ILE 51 HA ILE 51 8.222 -2.571 -5.142 342 HB ILE 51 HB ILE 51 11.060 -2.074 -4.239 343 HG12 ILE 51 HG12 ILE 51 11.087 -4.629 -4.866 344 HG13 ILE 51 HG13 ILE 51 9.699 -4.195 -5.857 345 HG21 ILE 51 HG21 ILE 51 10.209 -2.699 -2.241 346 HG22 ILE 51 HG22 ILE 51 8.795 -3.467 -2.962 347 HG23 ILE 51 HG23 ILE 51 10.343 -4.312 -2.942 348 HD11 ILE 51 HD11 ILE 51 11.048 -2.551 -7.038 349 HD12 ILE 51 HD12 ILE 51 12.438 -2.963 -6.033 350 HD13 ILE 51 HD13 ILE 51 11.763 -4.160 -7.139 351 H GLN 52 H GLN 52 7.109 -2.163 -3.294 352 HA GLN 52 HA GLN 52 6.238 -1.024 -1.526 353 HB2 GLN 52 HB2 GLN 52 9.055 -0.081 -1.564 354 HB3 GLN 52 HB3 GLN 52 7.908 0.866 -0.627 355 HG2 GLN 52 HG2 GLN 52 7.971 -2.083 -0.252 356 HG3 GLN 52 HG3 GLN 52 9.257 -1.104 0.453 357 HE21 GLN 52 HE21 GLN 52 5.756 -1.485 0.303 358 HE22 GLN 52 HE22 GLN 52 5.437 -0.846 1.876 359 H LEU 53 H LEU 53 5.875 -0.144 -4.282 360 HA LEU 53 HA LEU 53 5.765 2.749 -4.161 361 HB2 LEU 53 HB2 LEU 53 6.256 1.222 -6.215 362 HB3 LEU 53 HB3 LEU 53 4.500 1.110 -6.316 363 HG LEU 53 HG LEU 53 4.434 3.608 -6.476 364 HD11 LEU 53 HD11 LEU 53 6.673 3.965 -5.450 365 HD12 LEU 53 HD12 LEU 53 6.433 4.826 -6.970 366 HD13 LEU 53 HD13 LEU 53 7.400 3.352 -6.936 367 HD21 LEU 53 HD21 LEU 53 6.134 2.623 -8.710 368 HD22 LEU 53 HD22 LEU 53 4.640 3.559 -8.753 369 HD23 LEU 53 HD23 LEU 53 4.587 1.829 -8.413 370 HA PRO 54 HA PRO 54 1.681 2.874 -2.469 371 HB2 PRO 54 HB2 PRO 54 1.168 5.488 -2.992 372 HB3 PRO 54 HB3 PRO 54 2.243 4.961 -1.691 373 HG2 PRO 54 HG2 PRO 54 2.929 5.943 -4.435 374 HG3 PRO 54 HG3 PRO 54 3.692 6.336 -2.883 375 HD2 PRO 54 HD2 PRO 54 4.749 4.542 -4.614 376 HD3 PRO 54 HD3 PRO 54 4.926 4.389 -2.854 377 H ASP 55 H ASP 55 -0.457 2.911 -3.160 378 HA ASP 55 HA ASP 55 -0.931 2.283 -5.871 379 HB2 ASP 55 HB2 ASP 55 -2.761 2.897 -3.557 380 HB3 ASP 55 HB3 ASP 55 -3.383 2.534 -5.164 381 H ASN 56 H ASN 56 -0.353 5.227 -4.470 382 HA ASN 56 HA ASN 56 -2.222 6.843 -5.913 383 HB2 ASN 56 HB2 ASN 56 0.233 7.400 -4.276 384 HB3 ASN 56 HB3 ASN 56 -0.497 8.680 -5.241 385 HD21 ASN 56 HD21 ASN 56 -0.527 7.081 -2.310 386 HD22 ASN 56 HD22 ASN 56 -2.023 7.688 -1.695 387 H VAL 57 H VAL 57 0.863 5.446 -6.591 388 HA VAL 57 HA VAL 57 1.442 7.212 -8.810 389 HB VAL 57 HB VAL 57 2.880 4.627 -8.496 390 HG11 VAL 57 HG11 VAL 57 4.815 6.294 -8.839 391 HG12 VAL 57 HG12 VAL 57 3.740 5.963 -10.199 392 HG13 VAL 57 HG13 VAL 57 3.548 7.446 -9.263 393 HG21 VAL 57 HG21 VAL 57 3.000 5.002 -6.255 394 HG22 VAL 57 HG22 VAL 57 4.318 6.054 -6.770 395 HG23 VAL 57 HG23 VAL 57 2.731 6.737 -6.417 396 HA PRO 58 HA PRO 58 -0.859 4.930 -11.810 397 HB2 PRO 58 HB2 PRO 58 0.324 5.943 -14.034 398 HB3 PRO 58 HB3 PRO 58 -0.832 6.859 -13.060 399 HG2 PRO 58 HG2 PRO 58 2.159 6.975 -13.057 400 HG3 PRO 58 HG3 PRO 58 0.988 8.305 -12.995 401 HD2 PRO 58 HD2 PRO 58 2.263 7.383 -10.791 402 HD3 PRO 58 HD3 PRO 58 0.613 8.037 -10.736 403 H ILE 59 H ILE 59 -0.621 2.909 -12.521 404 HA ILE 59 HA ILE 59 2.099 1.925 -13.060 405 HB ILE 59 HB ILE 59 1.185 -0.337 -12.673 406 HG12 ILE 59 HG12 ILE 59 -1.306 1.007 -11.635 407 HG13 ILE 59 HG13 ILE 59 -1.194 0.400 -13.284 408 HG21 ILE 59 HG21 ILE 59 2.253 0.880 -10.852 409 HG22 ILE 59 HG22 ILE 59 0.707 1.604 -10.416 410 HG23 ILE 59 HG23 ILE 59 0.945 -0.135 -10.246 411 HD11 ILE 59 HD11 ILE 59 -0.613 -1.365 -10.940 412 HD12 ILE 59 HD12 ILE 59 -2.260 -1.095 -11.510 413 HD13 ILE 59 HD13 ILE 59 -1.061 -1.813 -12.586 414 H ARG 60 H ARG 60 2.098 0.010 -14.645 415 HA ARG 60 HA ARG 60 1.053 0.968 -17.135 416 HB2 ARG 60 HB2 ARG 60 3.169 -0.025 -17.310 417 HB3 ARG 60 HB3 ARG 60 2.707 -1.400 -16.316 418 HG2 ARG 60 HG2 ARG 60 2.993 -1.843 -18.780 419 HG3 ARG 60 HG3 ARG 60 1.473 -2.381 -18.063 420 HD2 ARG 60 HD2 ARG 60 0.238 -0.851 -19.201 421 HD3 ARG 60 HD3 ARG 60 1.527 0.352 -19.195 422 HE ARG 60 HE ARG 60 2.472 -1.545 -20.869 423 HH11 ARG 60 HH11 ARG 60 -0.540 0.191 -20.693 424 HH12 ARG 60 HH12 ARG 60 -0.819 0.141 -22.402 425 HH21 ARG 60 HH21 ARG 60 2.117 -1.616 -23.121 426 HH22 ARG 60 HH22 ARG 60 0.693 -0.887 -23.783 427 H ILE 61 H ILE 61 -0.985 0.672 -17.731 428 HA ILE 61 HA ILE 61 -2.363 -1.790 -16.893 429 HB ILE 61 HB ILE 61 -4.407 -0.326 -17.753 430 HG12 ILE 61 HG12 ILE 61 -2.589 1.507 -18.278 431 HG13 ILE 61 HG13 ILE 61 -4.158 1.967 -17.627 432 HG21 ILE 61 HG21 ILE 61 -4.396 0.651 -15.304 433 HG22 ILE 61 HG22 ILE 61 -4.610 -1.073 -15.604 434 HG23 ILE 61 HG23 ILE 61 -3.032 -0.451 -15.120 435 HD11 ILE 61 HD11 ILE 61 -2.223 1.391 -15.547 436 HD12 ILE 61 HD12 ILE 61 -1.705 2.687 -16.626 437 HD13 ILE 61 HD13 ILE 61 -3.250 2.805 -15.784 438 HA PRO 62 HA PRO 62 -2.790 -3.227 -21.017 439 HB2 PRO 62 HB2 PRO 62 -5.315 -4.224 -21.029 440 HB3 PRO 62 HB3 PRO 62 -3.979 -5.003 -20.174 441 HG2 PRO 62 HG2 PRO 62 -6.132 -3.222 -19.101 442 HG3 PRO 62 HG3 PRO 62 -5.475 -4.720 -18.416 443 HD2 PRO 62 HD2 PRO 62 -4.733 -2.268 -17.538 444 HD3 PRO 62 HD3 PRO 62 -3.627 -3.656 -17.540 445 H GLY 63 H GLY 63 -2.856 -0.664 -21.379 446 HA2 GLY 63 HA2 GLY 63 -5.192 -0.220 -23.111 447 HA3 GLY 63 HA3 GLY 63 -4.735 1.018 -21.950 448 H LYS 64 H LYS 64 -4.787 2.020 -24.300 449 HA LYS 64 HA LYS 64 -2.307 1.638 -25.750 450 HB2 LYS 64 HB2 LYS 64 -4.611 2.127 -26.781 451 HB3 LYS 64 HB3 LYS 64 -4.346 3.790 -26.274 452 HG2 LYS 64 HG2 LYS 64 -2.424 3.987 -27.671 453 HG3 LYS 64 HG3 LYS 64 -2.451 2.261 -28.041 454 HD2 LYS 64 HD2 LYS 64 -4.775 4.045 -28.700 455 HD3 LYS 64 HD3 LYS 64 -3.396 3.886 -29.791 456 HE2 LYS 64 HE2 LYS 64 -3.806 1.339 -29.529 457 HE3 LYS 64 HE3 LYS 64 -5.402 1.825 -28.958 458 HZ1 LYS 64 HZ1 LYS 64 -4.264 2.715 -31.547 459 HZ2 LYS 64 HZ2 LYS 64 -5.861 2.873 -31.014 460 HZ3 LYS 64 HZ3 LYS 64 -5.242 1.344 -31.388 461 H CYS 65 H CYS 65 -0.667 3.149 -25.977 462 HA CYS 65 HA CYS 65 -0.468 5.060 -23.780 463 HB2 CYS 65 HB2 CYS 65 1.452 3.684 -23.948 464 HB3 CYS 65 HB3 CYS 65 1.540 3.885 -25.694 465 H HIS 66 H HIS 66 0.034 7.246 -24.076 466 HA HIS 66 HA HIS 66 -1.323 8.775 -25.768 467 HB2 HIS 66 HB2 HIS 66 0.468 10.502 -25.618 468 HB3 HIS 66 HB3 HIS 66 0.072 9.771 -24.065 469 HD1 HIS 66 HD1 HIS 66 2.343 10.228 -23.005 470 HD2 HIS 66 HD2 HIS 66 2.577 8.027 -26.520 471 HE1 HIS 66 HE1 HIS 66 4.712 9.392 -23.118
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