NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
461120 | 2dl9 | 11223 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 16.432 5.912 0.586 2 HA2 GLY 1 1HA GLY 1 16.816 4.894 -1.849 3 HA3 GLY 1 2HA GLY 1 16.127 6.459 -2.256 4 H SER 2 H SER 2 18.853 5.217 -2.634 5 HA SER 2 HA SER 2 20.510 7.083 -1.105 6 HB2 SER 2 1HB SER 2 21.314 4.793 -2.917 7 HB3 SER 2 2HB SER 2 22.415 5.767 -1.944 8 HG SER 2 HG SER 2 21.731 3.716 -0.999 9 H SER 3 H SER 3 22.396 8.044 -2.367 10 HA SER 3 HA SER 3 21.393 9.784 -4.327 11 HB2 SER 3 1HB SER 3 24.150 9.119 -3.344 12 HB3 SER 3 2HB SER 3 23.944 10.179 -4.739 13 HG SER 3 HG SER 3 23.840 11.595 -3.139 14 H GLY 4 H GLY 4 21.963 9.985 -6.563 15 HA2 GLY 4 1HA GLY 4 23.245 8.824 -8.410 16 HA3 GLY 4 2HA GLY 4 22.465 7.362 -7.823 17 H SER 5 H SER 5 21.601 7.085 -9.952 18 HA SER 5 HA SER 5 19.345 8.891 -10.535 19 HB2 SER 5 1HB SER 5 21.189 7.379 -12.377 20 HB3 SER 5 2HB SER 5 19.610 7.950 -12.919 21 HG SER 5 HG SER 5 21.752 9.516 -11.914 22 H SER 6 H SER 6 20.456 5.539 -10.518 23 HA SER 6 HA SER 6 18.057 4.338 -11.346 24 HB2 SER 6 1HB SER 6 20.286 3.199 -11.216 25 HB3 SER 6 2HB SER 6 20.109 3.154 -9.462 26 HG SER 6 HG SER 6 17.961 2.098 -10.102 27 H GLY 7 H GLY 7 19.340 4.841 -8.056 28 HA2 GLY 7 1HA GLY 7 18.134 5.383 -6.136 29 HA3 GLY 7 2HA GLY 7 16.644 5.201 -7.051 30 HA PRO 8 HA PRO 8 16.859 1.618 -4.173 31 HB2 PRO 8 1HB PRO 8 14.200 1.626 -3.625 32 HB3 PRO 8 2HB PRO 8 15.362 2.640 -2.761 33 HG2 PRO 8 1HG PRO 8 13.527 3.359 -5.015 34 HG3 PRO 8 2HG PRO 8 13.899 4.272 -3.541 35 HD2 PRO 8 1HD PRO 8 15.035 4.840 -5.933 36 HD3 PRO 8 2HD PRO 8 15.884 5.078 -4.392 37 H PHE 9 H PHE 9 15.134 -0.295 -4.164 38 HA PHE 9 HA PHE 9 14.982 -1.181 -6.939 39 HB2 PHE 9 1HB PHE 9 14.816 -2.594 -4.287 40 HB3 PHE 9 2HB PHE 9 14.338 -3.395 -5.780 41 HD1 PHE 9 2HD PHE 9 17.133 -2.025 -3.860 42 HD2 PHE 9 1HD PHE 9 15.972 -4.029 -7.432 43 HE1 PHE 9 2HE PHE 9 19.482 -2.621 -4.286 44 HE2 PHE 9 1HE PHE 9 18.319 -4.628 -7.863 45 HZ PHE 9 HZ PHE 9 20.078 -3.923 -6.289 46 H ILE 10 H ILE 10 13.131 0.802 -6.241 47 HA ILE 10 HA ILE 10 10.615 -0.715 -6.434 48 HB ILE 10 HB ILE 10 11.033 1.873 -4.935 49 HG12 ILE 10 1HG1 ILE 10 10.074 -0.783 -3.868 50 HG13 ILE 10 2HG1 ILE 10 11.768 -0.305 -3.847 51 HG21 ILE 10 1HG2 ILE 10 8.460 0.532 -4.655 52 HG22 ILE 10 2HG2 ILE 10 8.828 2.233 -4.933 53 HG23 ILE 10 3HG2 ILE 10 8.773 1.110 -6.291 54 HD11 ILE 10 1HD1 ILE 10 10.410 1.840 -2.719 55 HD12 ILE 10 2HD1 ILE 10 9.639 0.402 -2.051 56 HD13 ILE 10 3HD1 ILE 10 11.379 0.629 -1.882 57 H MET 11 H MET 11 10.633 -0.537 -8.691 58 HA MET 11 HA MET 11 11.138 1.609 -10.285 59 HB2 MET 11 1HB MET 11 8.821 -0.302 -10.629 60 HB3 MET 11 2HB MET 11 9.547 0.678 -11.896 61 HG2 MET 11 1HG MET 11 11.210 -1.263 -10.352 62 HG3 MET 11 2HG MET 11 10.188 -1.815 -11.677 63 HE1 MET 11 1HE MET 11 13.922 -1.830 -12.088 64 HE2 MET 11 2HE MET 11 12.439 -2.784 -12.063 65 HE3 MET 11 3HE MET 11 13.114 -2.242 -13.600 66 H ASP 12 H ASP 12 8.284 1.067 -8.312 67 HA ASP 12 HA ASP 12 7.508 3.854 -8.767 68 HB2 ASP 12 1HB ASP 12 6.166 2.111 -10.175 69 HB3 ASP 12 2HB ASP 12 5.374 1.749 -8.644 70 H ALA 13 H ALA 13 7.156 4.884 -6.915 71 HA ALA 13 HA ALA 13 6.712 3.273 -4.491 72 HB1 ALA 13 1HB ALA 13 8.777 4.477 -4.369 73 HB2 ALA 13 2HB ALA 13 7.982 5.984 -4.826 74 HB3 ALA 13 3HB ALA 13 7.628 5.238 -3.268 75 HA PRO 14 HA PRO 14 2.709 5.045 -4.027 76 HB2 PRO 14 1HB PRO 14 2.406 4.741 -1.346 77 HB3 PRO 14 2HB PRO 14 2.319 3.389 -2.482 78 HG2 PRO 14 1HG PRO 14 4.605 4.275 -0.763 79 HG3 PRO 14 2HG PRO 14 4.014 2.633 -1.081 80 HD2 PRO 14 1HD PRO 14 6.179 3.671 -2.333 81 HD3 PRO 14 2HD PRO 14 5.093 2.504 -3.114 82 H ARG 15 H ARG 15 1.604 6.856 -3.140 83 HA ARG 15 HA ARG 15 3.201 8.783 -1.630 84 HB2 ARG 15 1HB ARG 15 3.489 9.255 -4.077 85 HB3 ARG 15 2HB ARG 15 1.757 9.542 -4.173 86 HG2 ARG 15 1HG ARG 15 1.879 11.525 -3.039 87 HG3 ARG 15 2HG ARG 15 3.344 11.062 -2.170 88 HD2 ARG 15 1HD ARG 15 4.720 11.545 -3.981 89 HD3 ARG 15 2HD ARG 15 3.392 11.449 -5.138 90 HE ARG 15 HE ARG 15 2.852 13.563 -3.408 91 HH11 ARG 15 2HH1 ARG 15 5.210 12.690 -5.816 92 HH12 ARG 15 1HH1 ARG 15 5.539 14.327 -6.275 93 HH21 ARG 15 2HH2 ARG 15 3.277 15.724 -4.004 94 HH22 ARG 15 1HH2 ARG 15 4.440 16.052 -5.243 95 H ASP 16 H ASP 16 1.948 10.434 -0.603 96 HA ASP 16 HA ASP 16 -0.262 9.677 0.747 97 HB2 ASP 16 1HB ASP 16 -0.121 12.520 -0.203 98 HB3 ASP 16 2HB ASP 16 -0.573 11.900 1.383 99 H LEU 17 H LEU 17 -2.316 9.220 0.310 100 HA LEU 17 HA LEU 17 -3.479 10.248 -2.194 101 HB2 LEU 17 1HB LEU 17 -3.058 7.946 -2.557 102 HB3 LEU 17 2HB LEU 17 -3.686 7.511 -0.968 103 HG LEU 17 HG LEU 17 -5.948 8.342 -1.843 104 HD11 LEU 17 1HD1 LEU 17 -5.086 9.511 -3.810 105 HD12 LEU 17 2HD1 LEU 17 -6.239 8.254 -4.257 106 HD13 LEU 17 3HD1 LEU 17 -4.510 7.980 -4.469 107 HD21 LEU 17 1HD2 LEU 17 -4.780 5.883 -1.761 108 HD22 LEU 17 2HD2 LEU 17 -5.269 5.989 -3.453 109 HD23 LEU 17 3HD2 LEU 17 -6.468 6.186 -2.174 110 H ASN 18 H ASN 18 -5.637 10.847 -2.159 111 HA ASN 18 HA ASN 18 -6.880 10.945 0.512 112 HB2 ASN 18 1HB ASN 18 -7.936 13.070 -0.182 113 HB3 ASN 18 2HB ASN 18 -6.178 13.173 -0.187 114 HD21 ASN 18 1HD2 ASN 18 -9.045 13.376 -2.033 115 HD22 ASN 18 2HD2 ASN 18 -8.312 13.764 -3.549 116 H ILE 19 H ILE 19 -8.610 9.691 0.631 117 HA ILE 19 HA ILE 19 -10.477 9.622 -1.627 118 HB ILE 19 HB ILE 19 -9.065 7.603 -1.795 119 HG12 ILE 19 1HG1 ILE 19 -11.842 6.853 -0.881 120 HG13 ILE 19 2HG1 ILE 19 -11.533 7.669 -2.410 121 HG21 ILE 19 1HG2 ILE 19 -8.405 7.184 0.427 122 HG22 ILE 19 2HG2 ILE 19 -10.073 7.130 0.996 123 HG23 ILE 19 3HG2 ILE 19 -9.445 5.831 -0.018 124 HD11 ILE 19 1HD1 ILE 19 -10.912 4.885 -1.584 125 HD12 ILE 19 2HD1 ILE 19 -11.598 5.495 -3.090 126 HD13 ILE 19 3HD1 ILE 19 -9.873 5.674 -2.770 127 H SER 20 H SER 20 -12.613 8.744 -1.015 128 HA SER 20 HA SER 20 -13.345 9.713 1.630 129 HB2 SER 20 1HB SER 20 -14.969 8.905 -0.786 130 HB3 SER 20 2HB SER 20 -15.702 9.335 0.759 131 HG SER 20 HG SER 20 -14.251 11.316 0.454 132 H GLU 21 H GLU 21 -14.870 8.478 2.965 133 HA GLU 21 HA GLU 21 -13.933 5.816 3.372 134 HB2 GLU 21 1HB GLU 21 -14.557 7.128 5.286 135 HB3 GLU 21 2HB GLU 21 -16.173 7.390 4.644 136 HG2 GLU 21 1HG GLU 21 -16.322 4.788 4.742 137 HG3 GLU 21 2HG GLU 21 -15.006 4.957 5.903 138 H GLY 22 H GLY 22 -14.694 3.958 2.589 139 HA2 GLY 22 1HA GLY 22 -16.340 2.425 1.911 140 HA3 GLY 22 2HA GLY 22 -17.482 3.752 1.757 141 H ARG 23 H ARG 23 -14.278 3.785 0.338 142 HA ARG 23 HA ARG 23 -15.465 3.354 -2.316 143 HB2 ARG 23 1HB ARG 23 -13.536 5.554 -1.554 144 HB3 ARG 23 2HB ARG 23 -14.018 5.170 -3.201 145 HG2 ARG 23 1HG ARG 23 -16.435 5.525 -2.208 146 HG3 ARG 23 2HG ARG 23 -15.549 6.500 -1.034 147 HD2 ARG 23 1HD ARG 23 -14.666 7.899 -2.751 148 HD3 ARG 23 2HD ARG 23 -15.269 6.827 -4.014 149 HE ARG 23 HE ARG 23 -16.704 8.909 -2.735 150 HH11 ARG 23 2HH1 ARG 23 -17.079 5.699 -4.031 151 HH12 ARG 23 1HH1 ARG 23 -18.760 5.903 -4.399 152 HH21 ARG 23 2HH2 ARG 23 -18.916 9.189 -3.214 153 HH22 ARG 23 1HH2 ARG 23 -19.804 7.889 -3.934 154 H MET 24 H MET 24 -13.772 2.941 -4.003 155 HA MET 24 HA MET 24 -11.878 1.010 -2.956 156 HB2 MET 24 1HB MET 24 -13.424 0.830 -5.081 157 HB3 MET 24 2HB MET 24 -12.093 1.671 -5.864 158 HG2 MET 24 1HG MET 24 -10.573 -0.088 -5.326 159 HG3 MET 24 2HG MET 24 -11.775 -0.884 -4.314 160 HE1 MET 24 1HE MET 24 -12.169 -3.586 -6.264 161 HE2 MET 24 2HE MET 24 -10.737 -3.042 -7.137 162 HE3 MET 24 3HE MET 24 -10.866 -2.773 -5.398 163 H ALA 25 H ALA 25 -9.835 1.482 -2.519 164 HA ALA 25 HA ALA 25 -8.571 3.729 -3.949 165 HB1 ALA 25 1HB ALA 25 -9.139 3.870 -1.367 166 HB2 ALA 25 2HB ALA 25 -7.612 2.997 -1.237 167 HB3 ALA 25 3HB ALA 25 -7.664 4.568 -2.036 168 H GLU 26 H GLU 26 -6.169 3.594 -4.007 169 HA GLU 26 HA GLU 26 -5.004 0.960 -3.714 170 HB2 GLU 26 1HB GLU 26 -5.178 2.266 -6.436 171 HB3 GLU 26 2HB GLU 26 -4.280 0.803 -6.057 172 HG2 GLU 26 1HG GLU 26 -6.408 -0.283 -5.414 173 HG3 GLU 26 2HG GLU 26 -7.264 1.166 -5.938 174 H LEU 27 H LEU 27 -2.761 0.982 -3.647 175 HA LEU 27 HA LEU 27 -1.566 3.668 -3.535 176 HB2 LEU 27 1HB LEU 27 -1.098 1.142 -2.030 177 HB3 LEU 27 2HB LEU 27 0.255 2.248 -2.261 178 HG LEU 27 HG LEU 27 -2.297 3.306 -1.137 179 HD11 LEU 27 1HD1 LEU 27 -2.242 2.040 0.678 180 HD12 LEU 27 2HD1 LEU 27 -0.597 2.583 1.006 181 HD13 LEU 27 3HD1 LEU 27 -0.870 1.141 0.028 182 HD21 LEU 27 1HD2 LEU 27 0.617 3.919 -0.652 183 HD22 LEU 27 2HD2 LEU 27 -0.753 4.783 0.046 184 HD23 LEU 27 3HD2 LEU 27 -0.474 4.831 -1.696 185 H LYS 28 H LYS 28 -0.394 4.178 -5.252 186 HA LYS 28 HA LYS 28 0.478 2.377 -7.212 187 HB2 LYS 28 1HB LYS 28 1.432 5.171 -6.567 188 HB3 LYS 28 2HB LYS 28 1.887 4.284 -8.016 189 HG2 LYS 28 1HG LYS 28 -0.987 4.780 -7.332 190 HG3 LYS 28 2HG LYS 28 -0.016 5.982 -8.186 191 HD2 LYS 28 1HD LYS 28 0.379 4.486 -9.999 192 HD3 LYS 28 2HD LYS 28 -0.310 3.127 -9.107 193 HE2 LYS 28 1HE LYS 28 -1.973 5.548 -9.662 194 HE3 LYS 28 2HE LYS 28 -1.723 4.347 -10.928 195 HZ1 LYS 28 1HZ LYS 28 -2.816 3.766 -8.228 196 HZ2 LYS 28 2HZ LYS 28 -2.644 2.661 -9.496 197 HZ3 LYS 28 3HZ LYS 28 -3.743 3.939 -9.633 198 H CYS 29 H CYS 29 1.869 0.776 -6.821 199 HA CYS 29 HA CYS 29 4.537 1.432 -5.909 200 HB2 CYS 29 1HB CYS 29 3.234 0.934 -3.825 201 HB3 CYS 29 2HB CYS 29 2.948 -0.685 -4.450 202 HG CYS 29 HG CYS 29 6.178 0.047 -4.480 203 H ARG 30 H ARG 30 5.953 0.364 -7.120 204 HA ARG 30 HA ARG 30 5.092 -2.158 -8.379 205 HB2 ARG 30 1HB ARG 30 6.759 0.092 -9.497 206 HB3 ARG 30 2HB ARG 30 6.724 -1.510 -10.222 207 HG2 ARG 30 1HG ARG 30 4.136 -0.142 -9.723 208 HG3 ARG 30 2HG ARG 30 5.145 0.424 -11.056 209 HD2 ARG 30 1HD ARG 30 5.254 -1.960 -11.845 210 HD3 ARG 30 2HD ARG 30 4.034 -2.343 -10.631 211 HE ARG 30 HE ARG 30 2.443 -1.307 -11.934 212 HH11 ARG 30 2HH1 ARG 30 5.622 -0.625 -13.178 213 HH12 ARG 30 1HH1 ARG 30 5.038 0.069 -14.654 214 HH21 ARG 30 2HH2 ARG 30 1.662 -0.396 -13.874 215 HH22 ARG 30 1HH2 ARG 30 2.785 0.200 -15.048 216 H THR 31 H THR 31 6.393 -3.886 -8.170 217 HA THR 31 HA THR 31 9.075 -3.467 -7.024 218 HB THR 31 HB THR 31 8.793 -5.539 -5.710 219 HG1 THR 31 1HG THR 31 6.016 -5.412 -6.214 220 HG21 THR 31 1HG2 THR 31 8.075 -4.303 -3.993 221 HG22 THR 31 2HG2 THR 31 6.467 -4.137 -4.698 222 HG23 THR 31 3HG2 THR 31 7.752 -3.021 -5.159 223 HA PRO 32 HA PRO 32 10.535 -5.967 -10.340 224 HB2 PRO 32 1HB PRO 32 12.859 -6.841 -9.241 225 HB3 PRO 32 2HB PRO 32 12.630 -5.184 -9.812 226 HG2 PRO 32 1HG PRO 32 12.475 -6.266 -7.025 227 HG3 PRO 32 2HG PRO 32 13.235 -4.773 -7.604 228 HD2 PRO 32 1HD PRO 32 10.801 -4.803 -6.419 229 HD3 PRO 32 2HD PRO 32 11.232 -3.636 -7.685 230 HA PRO 33 HA PRO 33 9.614 -10.217 -9.694 231 HB2 PRO 33 1HB PRO 33 11.495 -11.493 -11.178 232 HB3 PRO 33 2HB PRO 33 10.155 -10.591 -11.895 233 HG2 PRO 33 1HG PRO 33 12.997 -9.748 -11.477 234 HG3 PRO 33 2HG PRO 33 11.953 -9.504 -12.890 235 HD2 PRO 33 1HD PRO 33 12.414 -7.557 -11.065 236 HD3 PRO 33 2HD PRO 33 10.876 -7.701 -11.940 237 H MET 34 H MET 34 10.212 -12.127 -8.600 238 HA MET 34 HA MET 34 11.190 -13.292 -6.907 239 HB2 MET 34 1HB MET 34 13.788 -12.224 -8.014 240 HB3 MET 34 2HB MET 34 13.550 -13.703 -7.093 241 HG2 MET 34 1HG MET 34 12.011 -14.397 -9.043 242 HG3 MET 34 2HG MET 34 12.828 -13.113 -9.931 243 HE1 MET 34 1HE MET 34 13.975 -17.284 -9.650 244 HE2 MET 34 2HE MET 34 13.792 -16.729 -7.986 245 HE3 MET 34 3HE MET 34 12.495 -16.463 -9.153 246 H SER 35 H SER 35 10.175 -11.091 -5.895 247 HA SER 35 HA SER 35 12.135 -10.301 -3.877 248 HB2 SER 35 1HB SER 35 10.779 -8.467 -5.796 249 HB3 SER 35 2HB SER 35 10.964 -7.917 -4.131 250 HG SER 35 HG SER 35 13.071 -8.873 -5.777 251 H SER 36 H SER 36 11.222 -9.636 -1.895 252 HA SER 36 HA SER 36 8.523 -10.666 -1.479 253 HB2 SER 36 1HB SER 36 10.825 -10.034 0.352 254 HB3 SER 36 2HB SER 36 9.198 -10.265 0.993 255 HG SER 36 HG SER 36 9.418 -12.289 -0.486 256 H VAL 37 H VAL 37 6.923 -9.256 -1.722 257 HA VAL 37 HA VAL 37 7.337 -6.475 -0.848 258 HB VAL 37 HB VAL 37 6.734 -6.695 -3.209 259 HG11 VAL 37 1HG1 VAL 37 5.525 -8.768 -3.189 260 HG12 VAL 37 2HG1 VAL 37 4.275 -8.081 -2.150 261 HG13 VAL 37 3HG1 VAL 37 4.460 -7.506 -3.808 262 HG21 VAL 37 1HG2 VAL 37 6.006 -4.702 -2.084 263 HG22 VAL 37 2HG2 VAL 37 4.733 -5.218 -3.190 264 HG23 VAL 37 3HG2 VAL 37 4.575 -5.523 -1.460 265 H LYS 38 H LYS 38 6.126 -5.628 0.742 266 HA LYS 38 HA LYS 38 3.678 -6.972 1.587 267 HB2 LYS 38 1HB LYS 38 6.030 -6.471 3.418 268 HB3 LYS 38 2HB LYS 38 4.419 -6.903 3.975 269 HG2 LYS 38 1HG LYS 38 4.738 -8.939 2.361 270 HG3 LYS 38 2HG LYS 38 6.450 -8.564 2.569 271 HD2 LYS 38 1HD LYS 38 4.592 -8.880 4.911 272 HD3 LYS 38 2HD LYS 38 5.412 -10.260 4.176 273 HE2 LYS 38 1HE LYS 38 7.038 -7.881 4.912 274 HE3 LYS 38 2HE LYS 38 6.464 -8.929 6.207 275 HZ1 LYS 38 1HZ LYS 38 7.419 -10.763 4.602 276 HZ2 LYS 38 2HZ LYS 38 8.409 -9.958 5.712 277 HZ3 LYS 38 3HZ LYS 38 8.399 -9.484 4.088 278 H TRP 39 H TRP 39 2.909 -5.632 3.707 279 HA TRP 39 HA TRP 39 3.400 -2.786 3.359 280 HB2 TRP 39 1HB TRP 39 0.750 -4.109 2.821 281 HB3 TRP 39 2HB TRP 39 0.850 -2.422 3.318 282 HD1 TRP 39 HD TRP 39 1.895 -4.733 0.416 283 HE1 TRP 39 1HE TRP 39 2.221 -3.287 -1.688 284 HE3 TRP 39 3HE TRP 39 1.290 -0.108 2.508 285 HZ2 TRP 39 2HZ TRP 39 2.222 -0.548 -2.371 286 HZ3 TRP 39 3HZ TRP 39 1.469 1.874 1.061 287 HH2 TRP 39 HH TRP 39 1.926 1.656 -1.328 288 H LEU 40 H LEU 40 3.482 -1.821 5.280 289 HA LEU 40 HA LEU 40 2.479 -3.274 7.613 290 HB2 LEU 40 1HB LEU 40 4.868 -2.381 7.393 291 HB3 LEU 40 2HB LEU 40 4.162 -0.788 7.657 292 HG LEU 40 HG LEU 40 3.696 -2.992 9.630 293 HD11 LEU 40 1HD1 LEU 40 5.711 -1.734 10.806 294 HD12 LEU 40 2HD1 LEU 40 6.214 -1.507 9.131 295 HD13 LEU 40 3HD1 LEU 40 5.961 -3.134 9.762 296 HD21 LEU 40 1HD2 LEU 40 3.017 -1.334 11.028 297 HD22 LEU 40 2HD2 LEU 40 2.628 -0.562 9.491 298 HD23 LEU 40 3HD2 LEU 40 4.119 -0.143 10.336 299 H LEU 41 H LEU 41 0.842 -2.563 8.848 300 HA LEU 41 HA LEU 41 -0.573 -0.168 7.964 301 HB2 LEU 41 1HB LEU 41 -1.427 -2.244 9.973 302 HB3 LEU 41 2HB LEU 41 -2.437 -0.992 9.256 303 HG LEU 41 HG LEU 41 -2.987 -3.083 8.239 304 HD11 LEU 41 1HD1 LEU 41 -3.000 -2.370 6.089 305 HD12 LEU 41 2HD1 LEU 41 -1.285 -1.963 6.093 306 HD13 LEU 41 3HD1 LEU 41 -2.451 -0.875 6.846 307 HD21 LEU 41 1HD2 LEU 41 -0.686 -4.072 8.820 308 HD22 LEU 41 2HD2 LEU 41 -0.170 -3.414 7.268 309 HD23 LEU 41 3HD2 LEU 41 -1.472 -4.603 7.333 310 HA PRO 42 HA PRO 42 0.665 2.326 11.362 311 HB2 PRO 42 1HB PRO 42 -1.523 3.909 11.630 312 HB3 PRO 42 2HB PRO 42 -0.380 4.069 10.292 313 HG2 PRO 42 1HG PRO 42 -3.036 2.691 10.359 314 HG3 PRO 42 2HG PRO 42 -2.351 3.739 9.103 315 HD2 PRO 42 1HD PRO 42 -2.352 1.039 8.905 316 HD3 PRO 42 2HD PRO 42 -1.063 2.046 8.215 317 H ASN 43 H ASN 43 -1.579 -0.067 11.634 318 HA ASN 43 HA ASN 43 -2.369 0.617 14.372 319 HB2 ASN 43 1HB ASN 43 -3.838 -1.446 14.121 320 HB3 ASN 43 2HB ASN 43 -4.239 -0.080 13.085 321 HD21 ASN 43 1HD2 ASN 43 -2.195 -2.980 13.071 322 HD22 ASN 43 2HD2 ASN 43 -2.526 -3.411 11.431 323 H GLY 44 H GLY 44 0.155 -0.833 12.913 324 HA2 GLY 44 1HA GLY 44 1.901 -1.938 14.027 325 HA3 GLY 44 2HA GLY 44 0.779 -2.373 15.308 326 H THR 45 H THR 45 1.124 -2.969 11.807 327 HA THR 45 HA THR 45 1.366 -5.787 12.164 328 HB THR 45 HB THR 45 -1.176 -5.011 10.765 329 HG1 THR 45 1HG THR 45 -2.279 -5.152 12.659 330 HG21 THR 45 1HG2 THR 45 -1.520 -7.453 11.945 331 HG22 THR 45 2HG2 THR 45 0.199 -7.476 11.554 332 HG23 THR 45 3HG2 THR 45 -0.991 -7.199 10.283 333 H VAL 46 H VAL 46 1.080 -6.920 9.936 334 HA VAL 46 HA VAL 46 1.650 -5.181 7.676 335 HB VAL 46 HB VAL 46 3.626 -7.261 8.623 336 HG11 VAL 46 1HG1 VAL 46 3.809 -5.536 6.160 337 HG12 VAL 46 2HG1 VAL 46 4.900 -6.832 6.654 338 HG13 VAL 46 3HG1 VAL 46 3.254 -7.210 6.145 339 HG21 VAL 46 1HG2 VAL 46 4.086 -4.323 8.164 340 HG22 VAL 46 2HG2 VAL 46 3.627 -4.987 9.733 341 HG23 VAL 46 3HG2 VAL 46 5.143 -5.478 8.976 342 H LEU 47 H LEU 47 1.060 -6.051 5.742 343 HA LEU 47 HA LEU 47 0.073 -8.828 5.788 344 HB2 LEU 47 1HB LEU 47 -1.041 -6.394 4.417 345 HB3 LEU 47 2HB LEU 47 -1.527 -8.035 3.995 346 HG LEU 47 HG LEU 47 -1.917 -6.704 6.676 347 HD11 LEU 47 1HD1 LEU 47 -3.452 -5.731 5.192 348 HD12 LEU 47 2HD1 LEU 47 -4.351 -7.009 6.009 349 HD13 LEU 47 3HD1 LEU 47 -3.756 -7.261 4.368 350 HD21 LEU 47 1HD2 LEU 47 -2.234 -8.730 7.518 351 HD22 LEU 47 2HD2 LEU 47 -1.820 -9.452 5.963 352 HD23 LEU 47 3HD2 LEU 47 -3.496 -9.034 6.324 353 H SER 48 H SER 48 0.044 -9.906 3.667 354 HA SER 48 HA SER 48 1.767 -8.841 1.602 355 HB2 SER 48 1HB SER 48 3.513 -10.393 1.739 356 HB3 SER 48 2HB SER 48 3.219 -9.987 3.430 357 HG SER 48 HG SER 48 2.544 -12.323 2.015 358 H HIS 49 H HIS 49 1.993 -10.463 -0.225 359 HA HIS 49 HA HIS 49 -0.310 -11.107 -1.405 360 HB2 HIS 49 1HB HIS 49 2.150 -11.528 -2.170 361 HB3 HIS 49 2HB HIS 49 1.876 -13.157 -1.558 362 HD1 HIS 49 1HD HIS 49 1.577 -11.221 -4.550 363 HD2 HIS 49 2HD HIS 49 -0.572 -14.337 -2.837 364 HE1 HIS 49 1HE HIS 49 0.231 -12.221 -6.425 365 HE2 HIS 49 2HE HIS 49 -1.124 -14.049 -5.347 366 H ALA 50 H ALA 50 1.410 -13.344 0.766 367 HA ALA 50 HA ALA 50 -0.302 -15.494 0.694 368 HB1 ALA 50 1HB ALA 50 1.159 -14.430 3.109 369 HB2 ALA 50 2HB ALA 50 0.508 -16.060 2.931 370 HB3 ALA 50 3HB ALA 50 1.823 -15.517 1.888 371 H SER 51 H SER 51 -0.459 -12.783 3.010 372 HA SER 51 HA SER 51 -2.569 -13.357 4.539 373 HB2 SER 51 1HB SER 51 -1.324 -11.157 4.451 374 HB3 SER 51 2HB SER 51 -2.395 -10.687 3.132 375 HG SER 51 HG SER 51 -3.116 -11.324 5.799 376 H ARG 52 H ARG 52 -4.797 -13.380 4.459 377 HA ARG 52 HA ARG 52 -5.946 -13.484 1.752 378 HB2 ARG 52 1HB ARG 52 -7.693 -14.919 2.723 379 HB3 ARG 52 2HB ARG 52 -6.087 -15.596 2.958 380 HG2 ARG 52 1HG ARG 52 -6.069 -14.968 5.251 381 HG3 ARG 52 2HG ARG 52 -7.538 -14.009 5.059 382 HD2 ARG 52 1HD ARG 52 -8.417 -15.915 5.969 383 HD3 ARG 52 2HD ARG 52 -8.536 -16.305 4.254 384 HE ARG 52 HE ARG 52 -6.808 -17.543 6.207 385 HH11 ARG 52 2HH1 ARG 52 -7.421 -16.973 2.828 386 HH12 ARG 52 1HH1 ARG 52 -6.517 -18.352 2.297 387 HH21 ARG 52 2HH2 ARG 52 -5.615 -19.362 5.521 388 HH22 ARG 52 1HH2 ARG 52 -5.491 -19.711 3.830 389 H HIS 53 H HIS 53 -5.559 -11.147 3.669 390 HA HIS 53 HA HIS 53 -7.945 -10.272 4.759 391 HB2 HIS 53 1HB HIS 53 -5.530 -9.212 4.713 392 HB3 HIS 53 2HB HIS 53 -6.184 -8.303 3.354 393 HD1 HIS 53 1HD HIS 53 -8.516 -6.978 3.969 394 HD2 HIS 53 2HD HIS 53 -6.050 -8.092 7.123 395 HE1 HIS 53 1HE HIS 53 -9.224 -5.550 5.914 396 HE2 HIS 53 2HE HIS 53 -7.662 -6.181 7.786 397 HA PRO 54 HA PRO 54 -10.556 -9.774 1.219 398 HB2 PRO 54 1HB PRO 54 -12.557 -8.429 2.467 399 HB3 PRO 54 2HB PRO 54 -12.304 -10.168 2.657 400 HG2 PRO 54 1HG PRO 54 -11.491 -7.927 4.468 401 HG3 PRO 54 2HG PRO 54 -12.201 -9.498 4.881 402 HD2 PRO 54 1HD PRO 54 -9.552 -8.990 5.114 403 HD3 PRO 54 2HD PRO 54 -10.184 -10.598 4.705 404 H ARG 55 H ARG 55 -10.293 -6.947 3.388 405 HA ARG 55 HA ARG 55 -10.775 -5.072 1.297 406 HB2 ARG 55 1HB ARG 55 -9.915 -4.887 4.159 407 HB3 ARG 55 2HB ARG 55 -9.771 -3.474 3.122 408 HG2 ARG 55 1HG ARG 55 -12.185 -3.668 2.601 409 HG3 ARG 55 2HG ARG 55 -12.289 -4.991 3.765 410 HD2 ARG 55 1HD ARG 55 -12.978 -2.763 4.661 411 HD3 ARG 55 2HD ARG 55 -11.687 -3.550 5.568 412 HE ARG 55 HE ARG 55 -11.494 -1.121 4.001 413 HH11 ARG 55 2HH1 ARG 55 -9.807 -3.695 5.629 414 HH12 ARG 55 1HH1 ARG 55 -8.330 -2.804 5.784 415 HH21 ARG 55 2HH2 ARG 55 -9.554 0.063 4.200 416 HH22 ARG 55 1HH2 ARG 55 -8.187 -0.666 4.972 417 H ILE 56 H ILE 56 -7.857 -5.443 3.316 418 HA ILE 56 HA ILE 56 -6.205 -4.094 1.428 419 HB ILE 56 HB ILE 56 -5.225 -5.881 3.646 420 HG12 ILE 56 1HG1 ILE 56 -6.077 -2.982 3.823 421 HG13 ILE 56 2HG1 ILE 56 -6.921 -4.345 4.549 422 HG21 ILE 56 1HG2 ILE 56 -3.951 -4.243 1.725 423 HG22 ILE 56 2HG2 ILE 56 -3.748 -3.473 3.298 424 HG23 ILE 56 3HG2 ILE 56 -3.220 -5.138 3.058 425 HD11 ILE 56 1HD1 ILE 56 -5.348 -2.878 5.990 426 HD12 ILE 56 2HD1 ILE 56 -5.324 -4.631 6.180 427 HD13 ILE 56 3HD1 ILE 56 -4.067 -3.829 5.239 428 H SER 57 H SER 57 -6.079 -5.062 -0.536 429 HA SER 57 HA SER 57 -5.135 -7.854 -0.602 430 HB2 SER 57 1HB SER 57 -6.751 -6.295 -2.629 431 HB3 SER 57 2HB SER 57 -6.057 -7.884 -2.944 432 HG SER 57 HG SER 57 -8.221 -7.167 -1.366 433 H VAL 58 H VAL 58 -3.115 -8.156 -1.244 434 HA VAL 58 HA VAL 58 -1.663 -5.954 -2.489 435 HB VAL 58 HB VAL 58 -0.631 -8.603 -1.466 436 HG11 VAL 58 1HG1 VAL 58 0.603 -7.036 -3.267 437 HG12 VAL 58 2HG1 VAL 58 1.157 -6.276 -1.774 438 HG13 VAL 58 3HG1 VAL 58 1.461 -7.990 -2.058 439 HG21 VAL 58 1HG2 VAL 58 -1.451 -6.242 -0.083 440 HG22 VAL 58 2HG2 VAL 58 -0.788 -7.738 0.575 441 HG23 VAL 58 3HG2 VAL 58 0.294 -6.434 0.084 442 H LEU 59 H LEU 59 -1.957 -5.872 -4.638 443 HA LEU 59 HA LEU 59 -2.424 -8.129 -6.284 444 HB2 LEU 59 1HB LEU 59 -1.354 -5.489 -7.235 445 HB3 LEU 59 2HB LEU 59 -2.361 -6.638 -8.112 446 HG LEU 59 HG LEU 59 -3.192 -4.794 -5.879 447 HD11 LEU 59 1HD1 LEU 59 -3.630 -3.444 -7.589 448 HD12 LEU 59 2HD1 LEU 59 -4.904 -4.573 -8.046 449 HD13 LEU 59 3HD1 LEU 59 -3.302 -4.713 -8.769 450 HD21 LEU 59 1HD2 LEU 59 -4.153 -7.196 -5.849 451 HD22 LEU 59 2HD2 LEU 59 -5.048 -6.680 -7.279 452 HD23 LEU 59 3HD2 LEU 59 -5.262 -5.828 -5.749 453 H ASN 60 H ASN 60 -1.012 -8.643 -8.206 454 HA ASN 60 HA ASN 60 1.398 -9.730 -7.411 455 HB2 ASN 60 1HB ASN 60 0.339 -8.971 -10.125 456 HB3 ASN 60 2HB ASN 60 1.925 -9.714 -9.937 457 HD21 ASN 60 1HD2 ASN 60 -1.377 -10.245 -10.234 458 HD22 ASN 60 2HD2 ASN 60 -1.396 -11.935 -9.876 459 H ASP 61 H ASP 61 1.174 -6.990 -9.682 460 HA ASP 61 HA ASP 61 3.727 -6.152 -9.769 461 HB2 ASP 61 1HB ASP 61 1.251 -4.435 -9.538 462 HB3 ASP 61 2HB ASP 61 2.839 -3.793 -9.949 463 H GLY 62 H GLY 62 1.502 -5.613 -7.087 464 HA2 GLY 62 1HA GLY 62 2.578 -5.659 -4.855 465 HA3 GLY 62 2HA GLY 62 3.786 -4.572 -5.525 466 H THR 63 H THR 63 0.387 -4.264 -6.265 467 HA THR 63 HA THR 63 0.396 -1.631 -4.997 468 HB THR 63 HB THR 63 -1.556 -2.905 -6.920 469 HG1 THR 63 1HG THR 63 0.422 -2.190 -7.843 470 HG21 THR 63 1HG2 THR 63 -2.672 -0.735 -6.999 471 HG22 THR 63 2HG2 THR 63 -1.575 -0.113 -5.765 472 HG23 THR 63 3HG2 THR 63 -2.716 -1.396 -5.365 473 H LEU 64 H LEU 64 -0.985 -1.026 -3.380 474 HA LEU 64 HA LEU 64 -2.349 -3.210 -1.988 475 HB2 LEU 64 1HB LEU 64 -0.646 -1.573 -0.921 476 HB3 LEU 64 2HB LEU 64 -2.000 -0.444 -0.899 477 HG LEU 64 HG LEU 64 -3.270 -2.109 0.461 478 HD11 LEU 64 1HD1 LEU 64 -1.424 -3.675 1.647 479 HD12 LEU 64 2HD1 LEU 64 -0.799 -3.639 -0.001 480 HD13 LEU 64 3HD1 LEU 64 -2.444 -4.196 0.306 481 HD21 LEU 64 1HD2 LEU 64 -0.694 -1.420 1.830 482 HD22 LEU 64 2HD2 LEU 64 -2.335 -1.417 2.479 483 HD23 LEU 64 3HD2 LEU 64 -1.834 -0.166 1.341 484 H ASN 65 H ASN 65 -4.352 -3.452 -2.808 485 HA ASN 65 HA ASN 65 -5.974 -1.109 -3.414 486 HB2 ASN 65 1HB ASN 65 -5.927 -3.021 -4.992 487 HB3 ASN 65 2HB ASN 65 -6.630 -4.044 -3.743 488 HD21 ASN 65 1HD2 ASN 65 -7.325 -2.332 -6.420 489 HD22 ASN 65 2HD2 ASN 65 -8.996 -1.992 -6.138 490 H PHE 66 H PHE 66 -7.966 -0.668 -2.447 491 HA PHE 66 HA PHE 66 -8.528 -2.124 0.049 492 HB2 PHE 66 1HB PHE 66 -8.573 0.870 -0.370 493 HB3 PHE 66 2HB PHE 66 -9.188 0.058 1.065 494 HD1 PHE 66 1HD PHE 66 -6.120 0.587 -0.946 495 HD2 PHE 66 2HD PHE 66 -7.766 -0.486 2.830 496 HE1 PHE 66 1HE PHE 66 -3.871 0.657 0.050 497 HE2 PHE 66 2HE PHE 66 -5.520 -0.417 3.833 498 HZ PHE 66 HZ PHE 66 -3.569 0.156 2.443 499 H SER 67 H SER 67 -10.311 -3.233 -0.536 500 HA SER 67 HA SER 67 -12.241 -2.642 -2.363 501 HB2 SER 67 1HB SER 67 -12.431 -4.097 0.269 502 HB3 SER 67 2HB SER 67 -13.820 -3.958 -0.808 503 HG SER 67 HG SER 67 -12.096 -5.806 -0.948 504 H HIS 68 H HIS 68 -11.996 -1.424 0.930 505 HA HIS 68 HA HIS 68 -13.549 0.878 0.325 506 HB2 HIS 68 1HB HIS 68 -15.408 0.444 1.909 507 HB3 HIS 68 2HB HIS 68 -15.426 -0.647 0.527 508 HD1 HIS 68 1HD HIS 68 -13.949 -3.004 1.182 509 HD2 HIS 68 2HD HIS 68 -15.906 -0.902 4.184 510 HE1 HIS 68 1HE HIS 68 -14.238 -4.640 3.070 511 HE2 HIS 68 2HE HIS 68 -15.500 -3.370 4.842 512 H VAL 69 H VAL 69 -12.149 2.223 1.285 513 HA VAL 69 HA VAL 69 -10.733 1.623 3.672 514 HB VAL 69 HB VAL 69 -10.062 4.004 3.640 515 HG11 VAL 69 1HG1 VAL 69 -9.876 2.888 0.858 516 HG12 VAL 69 2HG1 VAL 69 -8.686 3.846 1.742 517 HG13 VAL 69 3HG1 VAL 69 -9.004 2.176 2.215 518 HG21 VAL 69 1HG2 VAL 69 -11.015 5.594 2.331 519 HG22 VAL 69 2HG2 VAL 69 -11.416 4.455 1.046 520 HG23 VAL 69 3HG2 VAL 69 -12.417 4.537 2.496 521 H LEU 70 H LEU 70 -10.990 2.434 5.756 522 HA LEU 70 HA LEU 70 -13.652 3.554 6.344 523 HB2 LEU 70 1HB LEU 70 -12.074 1.940 8.310 524 HB3 LEU 70 2HB LEU 70 -13.803 2.279 8.288 525 HG LEU 70 HG LEU 70 -12.470 0.523 6.240 526 HD11 LEU 70 1HD1 LEU 70 -12.345 -1.171 7.665 527 HD12 LEU 70 2HD1 LEU 70 -14.006 -0.914 8.197 528 HD13 LEU 70 3HD1 LEU 70 -12.687 -0.035 8.971 529 HD21 LEU 70 1HD2 LEU 70 -14.544 1.109 5.414 530 HD22 LEU 70 2HD2 LEU 70 -15.278 1.188 7.015 531 HD23 LEU 70 3HD2 LEU 70 -14.909 -0.377 6.291 532 H LEU 71 H LEU 71 -13.789 4.937 8.228 533 HA LEU 71 HA LEU 71 -11.893 6.969 8.269 534 HB2 LEU 71 1HB LEU 71 -13.950 6.171 10.317 535 HB3 LEU 71 2HB LEU 71 -12.994 7.648 10.424 536 HG LEU 71 HG LEU 71 -14.996 6.958 8.275 537 HD11 LEU 71 1HD1 LEU 71 -16.512 7.991 9.519 538 HD12 LEU 71 2HD1 LEU 71 -15.464 9.396 9.711 539 HD13 LEU 71 3HD1 LEU 71 -15.341 8.043 10.836 540 HD21 LEU 71 1HD2 LEU 71 -14.439 9.595 7.979 541 HD22 LEU 71 2HD2 LEU 71 -13.707 8.306 7.023 542 HD23 LEU 71 3HD2 LEU 71 -12.853 8.961 8.422 543 H SER 72 H SER 72 -11.934 3.944 9.924 544 HA SER 72 HA SER 72 -9.977 4.742 11.906 545 HB2 SER 72 1HB SER 72 -11.132 2.023 11.241 546 HB3 SER 72 2HB SER 72 -10.070 2.367 12.606 547 HG SER 72 HG SER 72 -12.741 2.770 12.354 548 H ASP 73 H ASP 73 -9.993 3.541 8.714 549 HA ASP 73 HA ASP 73 -7.453 2.209 8.810 550 HB2 ASP 73 1HB ASP 73 -9.288 3.067 6.585 551 HB3 ASP 73 2HB ASP 73 -7.684 2.422 6.247 552 H THR 74 H THR 74 -8.487 5.454 8.556 553 HA THR 74 HA THR 74 -6.524 6.646 7.004 554 HB THR 74 HB THR 74 -7.835 7.750 9.497 555 HG1 THR 74 1HG THR 74 -9.500 7.973 8.223 556 HG21 THR 74 1HG2 THR 74 -6.980 9.612 7.404 557 HG22 THR 74 2HG2 THR 74 -5.648 8.796 8.224 558 HG23 THR 74 3HG2 THR 74 -6.821 9.726 9.156 559 H GLY 75 H GLY 75 -4.399 6.960 7.219 560 HA2 GLY 75 1HA GLY 75 -2.984 7.589 9.496 561 HA3 GLY 75 2HA GLY 75 -2.990 5.832 9.434 562 H VAL 76 H VAL 76 -0.895 5.425 8.956 563 HA VAL 76 HA VAL 76 0.068 6.419 6.359 564 HB VAL 76 HB VAL 76 1.716 6.162 8.878 565 HG11 VAL 76 1HG1 VAL 76 3.450 5.816 7.529 566 HG12 VAL 76 2HG1 VAL 76 2.462 6.076 6.090 567 HG13 VAL 76 3HG1 VAL 76 3.207 7.449 6.910 568 HG21 VAL 76 1HG2 VAL 76 1.552 8.684 7.339 569 HG22 VAL 76 2HG2 VAL 76 0.125 8.222 8.268 570 HG23 VAL 76 3HG2 VAL 76 1.678 8.423 9.079 571 H TYR 77 H TYR 77 0.804 4.886 5.025 572 HA TYR 77 HA TYR 77 1.187 2.182 6.127 573 HB2 TYR 77 1HB TYR 77 0.373 3.014 3.335 574 HB3 TYR 77 2HB TYR 77 0.614 1.355 3.870 575 HD1 TYR 77 2HD TYR 77 -1.337 4.391 4.851 576 HD2 TYR 77 1HD TYR 77 -1.252 0.152 4.492 577 HE1 TYR 77 2HE TYR 77 -3.687 4.289 5.571 578 HE2 TYR 77 1HE TYR 77 -3.602 0.039 5.210 579 HH TYR 77 HH TYR 77 -5.210 2.594 6.650 580 H THR 78 H THR 78 2.936 0.941 5.453 581 HA THR 78 HA THR 78 5.008 2.347 3.904 582 HB THR 78 HB THR 78 5.487 0.695 6.392 583 HG1 THR 78 1HG THR 78 6.276 2.790 7.154 584 HG21 THR 78 1HG2 THR 78 7.191 0.765 4.375 585 HG22 THR 78 2HG2 THR 78 7.748 0.876 6.044 586 HG23 THR 78 3HG2 THR 78 7.591 2.336 5.068 587 H CYS 79 H CYS 79 5.698 1.220 2.213 588 HA CYS 79 HA CYS 79 5.027 -1.620 2.041 589 HB2 CYS 79 1HB CYS 79 4.308 -0.262 0.167 590 HB3 CYS 79 2HB CYS 79 5.940 0.355 -0.058 591 HG CYS 79 HG CYS 79 5.123 -2.943 -0.450 592 H MET 80 H MET 80 6.510 -3.089 2.511 593 HA MET 80 HA MET 80 9.324 -2.329 2.587 594 HB2 MET 80 1HB MET 80 8.113 -4.969 3.403 595 HB3 MET 80 2HB MET 80 9.685 -4.325 3.856 596 HG2 MET 80 1HG MET 80 8.405 -2.444 4.994 597 HG3 MET 80 2HG MET 80 6.974 -3.452 4.786 598 HE1 MET 80 1HE MET 80 6.099 -4.270 6.452 599 HE2 MET 80 2HE MET 80 6.728 -5.528 7.515 600 HE3 MET 80 3HE MET 80 6.813 -3.836 8.005 601 H VAL 81 H VAL 81 10.879 -3.138 1.271 602 HA VAL 81 HA VAL 81 10.094 -5.172 -0.704 603 HB VAL 81 HB VAL 81 11.708 -2.700 -1.347 604 HG11 VAL 81 1HG1 VAL 81 10.583 -4.739 -3.252 605 HG12 VAL 81 2HG1 VAL 81 11.744 -3.454 -3.590 606 HG13 VAL 81 3HG1 VAL 81 12.219 -4.835 -2.600 607 HG21 VAL 81 1HG2 VAL 81 9.561 -2.460 -2.907 608 HG22 VAL 81 2HG2 VAL 81 8.816 -3.318 -1.558 609 HG23 VAL 81 3HG2 VAL 81 9.630 -1.778 -1.282 610 H THR 82 H THR 82 11.342 -6.877 -0.331 611 HA THR 82 HA THR 82 14.187 -6.422 0.300 612 HB THR 82 HB THR 82 12.550 -8.832 1.106 613 HG1 THR 82 1HG THR 82 13.412 -6.634 2.707 614 HG21 THR 82 1HG2 THR 82 14.445 -9.385 2.507 615 HG22 THR 82 2HG2 THR 82 15.278 -7.910 2.016 616 HG23 THR 82 3HG2 THR 82 14.989 -9.192 0.841 617 H ASN 83 H ASN 83 15.579 -7.107 -1.181 618 HA ASN 83 HA ASN 83 14.854 -9.390 -2.878 619 HB2 ASN 83 1HB ASN 83 14.467 -7.159 -4.042 620 HB3 ASN 83 2HB ASN 83 16.213 -6.931 -3.982 621 HD21 ASN 83 1HD2 ASN 83 14.810 -6.996 -6.357 622 HD22 ASN 83 2HD2 ASN 83 15.258 -8.413 -7.240 623 H VAL 84 H VAL 84 16.591 -10.633 -3.624 624 HA VAL 84 HA VAL 84 18.726 -11.015 -1.924 625 HB VAL 84 HB VAL 84 17.939 -12.610 -3.697 626 HG11 VAL 84 1HG1 VAL 84 19.657 -10.899 -5.493 627 HG12 VAL 84 2HG1 VAL 84 18.904 -12.435 -5.929 628 HG13 VAL 84 3HG1 VAL 84 17.900 -11.031 -5.566 629 HG21 VAL 84 1HG2 VAL 84 20.260 -13.454 -4.210 630 HG22 VAL 84 2HG2 VAL 84 20.876 -12.008 -3.411 631 HG23 VAL 84 3HG2 VAL 84 19.912 -13.173 -2.504 632 H ALA 85 H ALA 85 18.319 -8.578 -4.286 633 HA ALA 85 HA ALA 85 21.159 -8.022 -4.546 634 HB1 ALA 85 1HB ALA 85 20.270 -6.047 -5.906 635 HB2 ALA 85 2HB ALA 85 20.001 -7.668 -6.548 636 HB3 ALA 85 3HB ALA 85 18.688 -6.810 -5.742 637 H GLY 86 H GLY 86 18.268 -6.366 -3.278 638 HA2 GLY 86 1HA GLY 86 19.845 -5.173 -1.170 639 HA3 GLY 86 2HA GLY 86 19.264 -4.023 -2.366 640 H ASN 87 H ASN 87 18.363 -3.365 -0.077 641 HA ASN 87 HA ASN 87 15.600 -4.361 0.002 642 HB2 ASN 87 1HB ASN 87 15.709 -4.016 2.526 643 HB3 ASN 87 2HB ASN 87 16.569 -5.416 1.891 644 HD21 ASN 87 1HD2 ASN 87 18.796 -5.460 1.938 645 HD22 ASN 87 2HD2 ASN 87 19.730 -4.334 2.857 646 H SER 88 H SER 88 14.068 -2.820 0.126 647 HA SER 88 HA SER 88 14.715 -0.149 1.057 648 HB2 SER 88 1HB SER 88 13.952 -0.734 -1.807 649 HB3 SER 88 2HB SER 88 13.766 0.860 -1.077 650 HG SER 88 HG SER 88 15.762 0.690 -2.142 651 H ASN 89 H ASN 89 12.805 1.226 1.242 652 HA ASN 89 HA ASN 89 10.214 -0.047 0.977 653 HB2 ASN 89 1HB ASN 89 9.708 0.542 3.433 654 HB3 ASN 89 2HB ASN 89 10.660 -0.906 3.119 655 HD21 ASN 89 1HD2 ASN 89 11.116 2.570 3.665 656 HD22 ASN 89 2HD2 ASN 89 12.501 2.401 4.683 657 H ALA 90 H ALA 90 8.445 1.423 1.266 658 HA ALA 90 HA ALA 90 9.222 4.264 1.281 659 HB1 ALA 90 1HB ALA 90 8.839 3.791 -1.003 660 HB2 ALA 90 2HB ALA 90 7.382 2.864 -0.644 661 HB3 ALA 90 3HB ALA 90 7.390 4.614 -0.424 662 H SER 91 H SER 91 7.286 5.713 1.632 663 HA SER 91 HA SER 91 5.270 4.445 3.354 664 HB2 SER 91 1HB SER 91 5.496 6.575 4.808 665 HB3 SER 91 2HB SER 91 6.723 5.319 4.979 666 HG SER 91 HG SER 91 8.174 6.616 4.154 667 H ALA 92 H ALA 92 3.381 5.860 3.754 668 HA ALA 92 HA ALA 92 2.923 8.161 2.145 669 HB1 ALA 92 1HB ALA 92 1.753 7.384 0.366 670 HB2 ALA 92 2HB ALA 92 2.788 5.978 0.618 671 HB3 ALA 92 3HB ALA 92 1.138 5.981 1.240 672 H TYR 93 H TYR 93 0.826 9.082 2.478 673 HA TYR 93 HA TYR 93 -0.505 8.012 4.875 674 HB2 TYR 93 1HB TYR 93 0.564 10.276 5.053 675 HB3 TYR 93 2HB TYR 93 -0.580 10.854 3.847 676 HD1 TYR 93 2HD TYR 93 -3.020 10.885 4.387 677 HD2 TYR 93 1HD TYR 93 -0.068 10.025 7.328 678 HE1 TYR 93 2HE TYR 93 -4.658 11.352 6.160 679 HE2 TYR 93 1HE TYR 93 -1.699 10.489 9.109 680 HH TYR 93 HH TYR 93 -4.141 10.522 9.405 681 H LEU 94 H LEU 94 -2.721 7.808 4.940 682 HA LEU 94 HA LEU 94 -4.151 8.277 2.408 683 HB2 LEU 94 1HB LEU 94 -3.839 5.936 2.552 684 HB3 LEU 94 2HB LEU 94 -4.267 5.914 4.262 685 HG LEU 94 HG LEU 94 -6.590 6.772 3.306 686 HD11 LEU 94 1HD1 LEU 94 -5.363 5.242 1.019 687 HD12 LEU 94 2HD1 LEU 94 -5.942 6.907 0.999 688 HD13 LEU 94 3HD1 LEU 94 -7.086 5.579 1.189 689 HD21 LEU 94 1HD2 LEU 94 -6.109 4.721 4.641 690 HD22 LEU 94 2HD2 LEU 94 -5.775 3.876 3.129 691 HD23 LEU 94 3HD2 LEU 94 -7.387 4.521 3.442 692 H ASN 95 H ASN 95 -5.720 9.712 2.644 693 HA ASN 95 HA ASN 95 -6.852 10.174 5.305 694 HB2 ASN 95 1HB ASN 95 -5.962 12.131 4.114 695 HB3 ASN 95 2HB ASN 95 -7.068 11.826 2.778 696 HD21 ASN 95 1HD2 ASN 95 -7.695 14.060 3.255 697 HD22 ASN 95 2HD2 ASN 95 -8.901 14.337 4.461 698 H VAL 96 H VAL 96 -8.865 9.599 5.819 699 HA VAL 96 HA VAL 96 -10.684 8.801 3.640 700 HB VAL 96 HB VAL 96 -10.543 7.556 6.389 701 HG11 VAL 96 1HG1 VAL 96 -12.613 7.613 4.495 702 HG12 VAL 96 2HG1 VAL 96 -11.897 6.003 4.393 703 HG13 VAL 96 3HG1 VAL 96 -12.499 6.606 5.938 704 HG21 VAL 96 1HG2 VAL 96 -9.538 5.640 5.368 705 HG22 VAL 96 2HG2 VAL 96 -9.703 6.344 3.759 706 HG23 VAL 96 3HG2 VAL 96 -8.582 7.054 4.921 707 H SER 97 H SER 97 -12.217 10.303 3.490 708 HA SER 97 HA SER 97 -13.219 11.572 5.940 709 HB2 SER 97 1HB SER 97 -12.388 13.033 4.082 710 HB3 SER 97 2HB SER 97 -13.693 12.413 3.071 711 HG SER 97 HG SER 97 -13.785 14.168 5.229 712 H SER 98 H SER 98 -15.181 11.120 6.698 713 HA SER 98 HA SER 98 -16.759 9.059 5.602 714 HB2 SER 98 1HB SER 98 -18.461 9.817 7.313 715 HB3 SER 98 2HB SER 98 -16.864 9.448 7.963 716 HG SER 98 HG SER 98 -16.938 11.388 8.751 717 H GLY 99 H GLY 99 -18.473 9.057 4.256 718 HA2 GLY 99 1HA GLY 99 -20.367 9.989 3.188 719 HA3 GLY 99 2HA GLY 99 -19.770 11.594 3.583 720 HA PRO 100 HA PRO 100 -18.726 10.233 -0.866 721 HB2 PRO 100 1HB PRO 100 -20.613 11.673 -2.184 722 HB3 PRO 100 2HB PRO 100 -20.873 10.008 -1.652 723 HG2 PRO 100 1HG PRO 100 -21.752 12.565 -0.369 724 HG3 PRO 100 2HG PRO 100 -22.656 11.056 -0.590 725 HD2 PRO 100 1HD PRO 100 -21.494 11.727 1.762 726 HD3 PRO 100 2HD PRO 100 -21.654 10.044 1.223 727 H SER 101 H SER 101 -18.650 12.031 -2.787 728 HA SER 101 HA SER 101 -17.382 14.396 -1.568 729 HB2 SER 101 1HB SER 101 -15.803 12.865 -2.723 730 HB3 SER 101 2HB SER 101 -16.709 13.094 -4.218 731 HG SER 101 HG SER 101 -14.732 14.532 -3.450 732 H SER 102 H SER 102 -20.109 14.420 -2.039 733 HA SER 102 HA SER 102 -20.276 16.437 -4.163 734 HB2 SER 102 1HB SER 102 -22.140 14.085 -3.799 735 HB3 SER 102 2HB SER 102 -22.546 15.500 -4.769 736 HG SER 102 HG SER 102 -21.393 13.470 -5.700 737 H GLY 103 H GLY 103 -22.338 17.724 -3.992 738 HA2 GLY 103 1HA GLY 103 -22.630 18.605 -1.268 739 HA3 GLY 103 2HA GLY 103 -23.415 19.297 -2.680 Start of MODEL 2 1 H1 GLY 1 H GLY 1 19.605 18.326 2.582 2 HA2 GLY 1 1HA GLY 1 17.646 17.413 4.188 3 HA3 GLY 1 2HA GLY 1 17.308 18.494 2.844 4 H SER 2 H SER 2 16.143 15.879 4.211 5 HA SER 2 HA SER 2 14.918 14.069 3.567 6 HB2 SER 2 1HB SER 2 13.737 16.046 2.429 7 HB3 SER 2 2HB SER 2 14.503 15.491 0.941 8 HG SER 2 HG SER 2 13.500 13.344 1.793 9 H SER 3 H SER 3 17.641 13.735 3.172 10 HA SER 3 HA SER 3 17.944 12.494 0.544 11 HB2 SER 3 1HB SER 3 19.762 13.948 1.358 12 HB3 SER 3 2HB SER 3 19.976 12.893 2.755 13 HG SER 3 HG SER 3 21.333 12.612 0.715 14 H GLY 4 H GLY 4 18.541 10.317 0.272 15 HA2 GLY 4 1HA GLY 4 18.895 8.480 2.383 16 HA3 GLY 4 2HA GLY 4 17.206 8.470 1.895 17 H SER 5 H SER 5 17.824 6.177 1.427 18 HA SER 5 HA SER 5 19.564 5.189 -0.362 19 HB2 SER 5 1HB SER 5 17.754 3.895 0.803 20 HB3 SER 5 2HB SER 5 16.628 4.460 -0.431 21 HG SER 5 HG SER 5 17.489 2.406 -0.942 22 H SER 6 H SER 6 20.232 6.069 -2.207 23 HA SER 6 HA SER 6 18.606 7.690 -3.877 24 HB2 SER 6 1HB SER 6 20.527 7.627 -5.436 25 HB3 SER 6 2HB SER 6 21.030 7.993 -3.786 26 HG SER 6 HG SER 6 22.261 6.335 -5.021 27 H GLY 7 H GLY 7 16.943 6.897 -4.991 28 HA2 GLY 7 1HA GLY 7 15.676 5.517 -6.323 29 HA3 GLY 7 2HA GLY 7 17.187 5.214 -7.169 30 HA PRO 8 HA PRO 8 16.555 1.747 -3.814 31 HB2 PRO 8 1HB PRO 8 13.982 1.407 -3.020 32 HB3 PRO 8 2HB PRO 8 15.117 2.462 -2.171 33 HG2 PRO 8 1HG PRO 8 12.993 3.174 -4.157 34 HG3 PRO 8 2HG PRO 8 13.423 3.984 -2.639 35 HD2 PRO 8 1HD PRO 8 14.238 4.891 -5.056 36 HD3 PRO 8 2HD PRO 8 15.215 5.082 -3.586 37 H PHE 9 H PHE 9 15.138 -0.364 -3.861 38 HA PHE 9 HA PHE 9 14.925 -1.109 -6.629 39 HB2 PHE 9 1HB PHE 9 14.311 -2.723 -4.145 40 HB3 PHE 9 2HB PHE 9 14.494 -3.362 -5.775 41 HD1 PHE 9 1HD PHE 9 16.680 -3.529 -6.810 42 HD2 PHE 9 2HD PHE 9 16.223 -2.045 -2.847 43 HE1 PHE 9 1HE PHE 9 19.093 -3.818 -6.428 44 HE2 PHE 9 2HE PHE 9 18.635 -2.331 -2.458 45 HZ PHE 9 HZ PHE 9 20.074 -3.217 -4.250 46 H ILE 10 H ILE 10 13.074 0.840 -6.182 47 HA ILE 10 HA ILE 10 10.560 -0.648 -6.485 48 HB ILE 10 HB ILE 10 10.907 1.879 -4.869 49 HG12 ILE 10 1HG1 ILE 10 9.804 -0.787 -3.984 50 HG13 ILE 10 2HG1 ILE 10 11.506 -0.366 -3.826 51 HG21 ILE 10 1HG2 ILE 10 8.784 2.364 -5.283 52 HG22 ILE 10 2HG2 ILE 10 8.665 0.968 -6.353 53 HG23 ILE 10 3HG2 ILE 10 8.298 0.797 -4.636 54 HD11 ILE 10 1HD1 ILE 10 10.690 0.169 -1.753 55 HD12 ILE 10 2HD1 ILE 10 10.581 1.723 -2.581 56 HD13 ILE 10 3HD1 ILE 10 9.141 0.725 -2.385 57 H MET 11 H MET 11 10.605 -0.408 -8.711 58 HA MET 11 HA MET 11 11.265 1.729 -10.253 59 HB2 MET 11 1HB MET 11 8.907 -0.123 -10.635 60 HB3 MET 11 2HB MET 11 9.549 0.941 -11.880 61 HG2 MET 11 1HG MET 11 11.015 -1.326 -10.548 62 HG3 MET 11 2HG MET 11 10.344 -1.326 -12.178 63 HE1 MET 11 1HE MET 11 13.148 -2.265 -12.139 64 HE2 MET 11 2HE MET 11 14.463 -1.097 -12.016 65 HE3 MET 11 3HE MET 11 13.509 -1.504 -10.589 66 H ASP 12 H ASP 12 8.248 1.273 -8.478 67 HA ASP 12 HA ASP 12 7.687 4.131 -8.839 68 HB2 ASP 12 1HB ASP 12 6.306 2.458 -10.337 69 HB3 ASP 12 2HB ASP 12 5.399 2.203 -8.848 70 H ALA 13 H ALA 13 7.380 5.111 -6.957 71 HA ALA 13 HA ALA 13 6.774 3.464 -4.601 72 HB1 ALA 13 1HB ALA 13 7.838 6.280 -4.612 73 HB2 ALA 13 2HB ALA 13 7.808 5.137 -3.268 74 HB3 ALA 13 3HB ALA 13 8.870 4.850 -4.647 75 HA PRO 14 HA PRO 14 2.749 5.215 -4.254 76 HB2 PRO 14 1HB PRO 14 2.340 4.830 -1.598 77 HB3 PRO 14 2HB PRO 14 2.301 3.513 -2.776 78 HG2 PRO 14 1HG PRO 14 4.514 4.347 -0.941 79 HG3 PRO 14 2HG PRO 14 3.941 2.716 -1.332 80 HD2 PRO 14 1HD PRO 14 6.152 3.793 -2.465 81 HD3 PRO 14 2HD PRO 14 5.100 2.649 -3.324 82 H ARG 15 H ARG 15 1.590 6.979 -3.306 83 HA ARG 15 HA ARG 15 3.171 8.886 -1.745 84 HB2 ARG 15 1HB ARG 15 2.058 9.315 -4.480 85 HB3 ARG 15 2HB ARG 15 2.032 10.660 -3.348 86 HG2 ARG 15 1HG ARG 15 4.458 10.443 -3.054 87 HG3 ARG 15 2HG ARG 15 4.468 9.125 -4.227 88 HD2 ARG 15 1HD ARG 15 4.012 10.526 -6.004 89 HD3 ARG 15 2HD ARG 15 3.275 11.756 -4.978 90 HE ARG 15 HE ARG 15 5.986 11.624 -5.757 91 HH11 ARG 15 2HH1 ARG 15 3.969 12.378 -3.022 92 HH12 ARG 15 1HH1 ARG 15 5.106 13.484 -2.323 93 HH21 ARG 15 2HH2 ARG 15 7.491 13.078 -4.848 94 HH22 ARG 15 1HH2 ARG 15 7.108 13.882 -3.363 95 H ASP 16 H ASP 16 1.852 10.602 -0.784 96 HA ASP 16 HA ASP 16 -0.263 9.746 0.684 97 HB2 ASP 16 1HB ASP 16 -0.738 12.000 1.215 98 HB3 ASP 16 2HB ASP 16 0.983 11.970 0.840 99 H LEU 17 H LEU 17 -2.421 9.474 0.462 100 HA LEU 17 HA LEU 17 -3.687 10.318 -2.048 101 HB2 LEU 17 1HB LEU 17 -3.149 8.037 -2.438 102 HB3 LEU 17 2HB LEU 17 -3.722 7.564 -0.840 103 HG LEU 17 HG LEU 17 -6.035 8.339 -1.685 104 HD11 LEU 17 1HD1 LEU 17 -4.400 8.378 -4.166 105 HD12 LEU 17 2HD1 LEU 17 -5.750 9.404 -3.681 106 HD13 LEU 17 3HD1 LEU 17 -6.052 7.766 -4.260 107 HD21 LEU 17 1HD2 LEU 17 -6.537 6.156 -2.387 108 HD22 LEU 17 2HD2 LEU 17 -5.176 5.977 -1.279 109 HD23 LEU 17 3HD2 LEU 17 -4.912 5.895 -3.022 110 H ASN 18 H ASN 18 -5.823 10.898 -1.892 111 HA ASN 18 HA ASN 18 -7.014 10.781 0.801 112 HB2 ASN 18 1HB ASN 18 -8.179 12.964 0.072 113 HB3 ASN 18 2HB ASN 18 -6.482 13.053 0.534 114 HD21 ASN 18 1HD2 ASN 18 -8.767 13.289 -2.045 115 HD22 ASN 18 2HD2 ASN 18 -7.679 13.912 -3.233 116 H ILE 19 H ILE 19 -8.564 9.282 0.678 117 HA ILE 19 HA ILE 19 -10.467 9.457 -1.566 118 HB ILE 19 HB ILE 19 -9.118 7.417 -1.753 119 HG12 ILE 19 1HG1 ILE 19 -11.831 6.534 -0.818 120 HG13 ILE 19 2HG1 ILE 19 -11.677 7.574 -2.229 121 HG21 ILE 19 1HG2 ILE 19 -9.198 5.682 -0.074 122 HG22 ILE 19 2HG2 ILE 19 -8.606 7.177 0.648 123 HG23 ILE 19 3HG2 ILE 19 -10.269 6.661 0.929 124 HD11 ILE 19 1HD1 ILE 19 -11.328 4.749 -2.015 125 HD12 ILE 19 2HD1 ILE 19 -11.345 5.768 -3.454 126 HD13 ILE 19 3HD1 ILE 19 -9.835 5.492 -2.587 127 H SER 20 H SER 20 -12.654 8.791 -1.080 128 HA SER 20 HA SER 20 -13.463 9.676 1.554 129 HB2 SER 20 1HB SER 20 -15.037 8.882 -0.903 130 HB3 SER 20 2HB SER 20 -15.783 9.398 0.609 131 HG SER 20 HG SER 20 -14.788 10.906 -1.355 132 H GLU 21 H GLU 21 -14.862 8.477 2.944 133 HA GLU 21 HA GLU 21 -14.053 5.812 3.356 134 HB2 GLU 21 1HB GLU 21 -14.791 7.121 5.225 135 HB3 GLU 21 2HB GLU 21 -16.360 7.399 4.483 136 HG2 GLU 21 1HG GLU 21 -16.525 4.790 4.571 137 HG3 GLU 21 2HG GLU 21 -15.304 4.966 5.830 138 H GLY 22 H GLY 22 -14.954 3.874 2.847 139 HA2 GLY 22 1HA GLY 22 -16.443 2.351 1.943 140 HA3 GLY 22 2HA GLY 22 -17.620 3.648 1.798 141 H ARG 23 H ARG 23 -14.376 3.658 0.425 142 HA ARG 23 HA ARG 23 -15.533 3.323 -2.254 143 HB2 ARG 23 1HB ARG 23 -13.645 5.516 -1.384 144 HB3 ARG 23 2HB ARG 23 -14.020 5.147 -3.062 145 HG2 ARG 23 1HG ARG 23 -16.499 5.462 -2.201 146 HG3 ARG 23 2HG ARG 23 -15.686 6.448 -0.984 147 HD2 ARG 23 1HD ARG 23 -14.605 7.736 -2.778 148 HD3 ARG 23 2HD ARG 23 -15.466 6.769 -3.975 149 HE ARG 23 HE ARG 23 -17.470 7.750 -2.476 150 HH11 ARG 23 2HH1 ARG 23 -14.722 9.254 -3.994 151 HH12 ARG 23 1HH1 ARG 23 -15.523 10.770 -4.242 152 HH21 ARG 23 2HH2 ARG 23 -18.537 9.741 -2.797 153 HH22 ARG 23 1HH2 ARG 23 -17.693 11.046 -3.560 154 H MET 24 H MET 24 -13.779 2.994 -3.926 155 HA MET 24 HA MET 24 -11.928 1.006 -2.904 156 HB2 MET 24 1HB MET 24 -13.421 0.900 -5.067 157 HB3 MET 24 2HB MET 24 -12.079 1.777 -5.791 158 HG2 MET 24 1HG MET 24 -10.611 0.013 -5.530 159 HG3 MET 24 2HG MET 24 -11.572 -0.729 -4.254 160 HE1 MET 24 1HE MET 24 -12.872 -3.555 -5.907 161 HE2 MET 24 2HE MET 24 -11.155 -3.294 -6.215 162 HE3 MET 24 3HE MET 24 -11.859 -2.804 -4.673 163 H ALA 25 H ALA 25 -9.859 1.387 -2.483 164 HA ALA 25 HA ALA 25 -8.582 3.735 -3.727 165 HB1 ALA 25 1HB ALA 25 -7.404 4.199 -1.730 166 HB2 ALA 25 2HB ALA 25 -9.085 3.941 -1.262 167 HB3 ALA 25 3HB ALA 25 -7.892 2.668 -1.001 168 H GLU 26 H GLU 26 -6.160 3.578 -3.755 169 HA GLU 26 HA GLU 26 -4.985 0.957 -3.675 170 HB2 GLU 26 1HB GLU 26 -5.381 2.329 -6.339 171 HB3 GLU 26 2HB GLU 26 -4.333 0.942 -6.076 172 HG2 GLU 26 1HG GLU 26 -6.412 -0.251 -5.212 173 HG3 GLU 26 2HG GLU 26 -7.323 1.078 -5.927 174 H LEU 27 H LEU 27 -2.751 1.011 -3.664 175 HA LEU 27 HA LEU 27 -1.573 3.707 -3.607 176 HB2 LEU 27 1HB LEU 27 -0.954 1.188 -2.113 177 HB3 LEU 27 2HB LEU 27 0.263 2.450 -2.290 178 HG LEU 27 HG LEU 27 -2.406 3.198 -1.199 179 HD11 LEU 27 1HD1 LEU 27 -1.136 2.673 1.084 180 HD12 LEU 27 2HD1 LEU 27 -0.466 1.377 0.094 181 HD13 LEU 27 3HD1 LEU 27 -2.212 1.514 0.303 182 HD21 LEU 27 1HD2 LEU 27 -0.431 4.381 0.280 183 HD22 LEU 27 2HD2 LEU 27 -1.226 5.097 -1.123 184 HD23 LEU 27 3HD2 LEU 27 0.314 4.257 -1.314 185 H LYS 28 H LYS 28 -0.387 4.192 -5.321 186 HA LYS 28 HA LYS 28 0.450 2.338 -7.262 187 HB2 LYS 28 1HB LYS 28 1.100 5.210 -6.697 188 HB3 LYS 28 2HB LYS 28 1.993 4.338 -7.935 189 HG2 LYS 28 1HG LYS 28 -0.990 4.314 -7.973 190 HG3 LYS 28 2HG LYS 28 -0.111 5.722 -8.572 191 HD2 LYS 28 1HD LYS 28 1.244 3.968 -9.932 192 HD3 LYS 28 2HD LYS 28 -0.138 2.917 -9.616 193 HE2 LYS 28 1HE LYS 28 -0.485 3.983 -11.727 194 HE3 LYS 28 2HE LYS 28 -1.611 4.689 -10.569 195 HZ1 LYS 28 1HZ LYS 28 0.994 5.919 -11.273 196 HZ2 LYS 28 2HZ LYS 28 -0.265 6.617 -10.385 197 HZ3 LYS 28 3HZ LYS 28 -0.462 6.317 -12.038 198 H CYS 29 H CYS 29 1.858 0.760 -6.832 199 HA CYS 29 HA CYS 29 4.515 1.495 -5.896 200 HB2 CYS 29 1HB CYS 29 3.606 0.906 -3.801 201 HB3 CYS 29 2HB CYS 29 2.696 -0.439 -4.479 202 HG CYS 29 HG CYS 29 4.994 -1.997 -4.967 203 H ARG 30 H ARG 30 5.991 0.553 -7.137 204 HA ARG 30 HA ARG 30 5.258 -1.934 -8.538 205 HB2 ARG 30 1HB ARG 30 6.854 0.438 -9.497 206 HB3 ARG 30 2HB ARG 30 6.918 -1.126 -10.299 207 HG2 ARG 30 1HG ARG 30 4.250 0.080 -9.815 208 HG3 ARG 30 2HG ARG 30 5.267 0.776 -11.078 209 HD2 ARG 30 1HD ARG 30 4.525 -2.139 -10.861 210 HD3 ARG 30 2HD ARG 30 3.732 -0.971 -11.917 211 HE ARG 30 HE ARG 30 6.224 -2.284 -12.376 212 HH11 ARG 30 2HH1 ARG 30 4.438 0.644 -12.974 213 HH12 ARG 30 1HH1 ARG 30 5.303 1.029 -14.425 214 HH21 ARG 30 2HH2 ARG 30 7.369 -1.788 -14.286 215 HH22 ARG 30 1HH2 ARG 30 6.969 -0.355 -15.171 216 H THR 31 H THR 31 6.578 -3.631 -8.301 217 HA THR 31 HA THR 31 9.248 -3.172 -7.144 218 HB THR 31 HB THR 31 9.020 -5.210 -5.811 219 HG1 THR 31 1HG THR 31 7.555 -6.529 -6.642 220 HG21 THR 31 1HG2 THR 31 6.606 -3.500 -5.257 221 HG22 THR 31 2HG2 THR 31 8.249 -2.926 -4.975 222 HG23 THR 31 3HG2 THR 31 7.646 -4.336 -4.105 223 HA PRO 32 HA PRO 32 10.746 -5.606 -10.495 224 HB2 PRO 32 1HB PRO 32 13.107 -6.408 -9.423 225 HB3 PRO 32 2HB PRO 32 12.820 -4.757 -9.987 226 HG2 PRO 32 1HG PRO 32 12.729 -5.850 -7.201 227 HG3 PRO 32 2HG PRO 32 13.435 -4.332 -7.785 228 HD2 PRO 32 1HD PRO 32 11.016 -4.443 -6.574 229 HD3 PRO 32 2HD PRO 32 11.396 -3.259 -7.841 230 HA PRO 33 HA PRO 33 9.973 -9.886 -9.851 231 HB2 PRO 33 1HB PRO 33 11.888 -11.098 -11.347 232 HB3 PRO 33 2HB PRO 33 10.515 -10.239 -12.056 233 HG2 PRO 33 1HG PRO 33 13.329 -9.304 -11.651 234 HG3 PRO 33 2HG PRO 33 12.272 -9.092 -13.058 235 HD2 PRO 33 1HD PRO 33 12.677 -7.134 -11.233 236 HD3 PRO 33 2HD PRO 33 11.141 -7.327 -12.101 237 H MET 34 H MET 34 10.696 -11.831 -8.843 238 HA MET 34 HA MET 34 11.806 -13.055 -7.280 239 HB2 MET 34 1HB MET 34 14.247 -11.434 -8.004 240 HB3 MET 34 2HB MET 34 14.207 -13.032 -7.273 241 HG2 MET 34 1HG MET 34 12.928 -13.670 -9.462 242 HG3 MET 34 2HG MET 34 13.711 -12.223 -10.092 243 HE1 MET 34 1HE MET 34 14.718 -16.047 -10.578 244 HE2 MET 34 2HE MET 34 15.243 -16.213 -8.903 245 HE3 MET 34 3HE MET 34 13.625 -15.611 -9.265 246 H SER 35 H SER 35 10.488 -10.596 -6.535 247 HA SER 35 HA SER 35 11.984 -10.017 -4.069 248 HB2 SER 35 1HB SER 35 10.508 -8.038 -5.817 249 HB3 SER 35 2HB SER 35 11.078 -7.678 -4.188 250 HG SER 35 HG SER 35 12.510 -8.001 -6.549 251 H SER 36 H SER 36 10.770 -9.752 -2.208 252 HA SER 36 HA SER 36 8.083 -10.869 -2.343 253 HB2 SER 36 1HB SER 36 10.125 -10.504 -0.195 254 HB3 SER 36 2HB SER 36 8.429 -10.612 0.277 255 HG SER 36 HG SER 36 10.057 -12.529 -0.977 256 H VAL 37 H VAL 37 6.256 -9.757 -2.000 257 HA VAL 37 HA VAL 37 6.474 -6.873 -1.599 258 HB VAL 37 HB VAL 37 4.035 -8.511 -2.303 259 HG11 VAL 37 1HG1 VAL 37 4.518 -5.646 -1.805 260 HG12 VAL 37 2HG1 VAL 37 3.540 -6.029 -3.223 261 HG13 VAL 37 3HG1 VAL 37 3.044 -6.599 -1.629 262 HG21 VAL 37 1HG2 VAL 37 6.246 -8.073 -3.887 263 HG22 VAL 37 2HG2 VAL 37 4.625 -8.471 -4.459 264 HG23 VAL 37 3HG2 VAL 37 5.141 -6.786 -4.371 265 H LYS 38 H LYS 38 5.895 -5.862 0.219 266 HA LYS 38 HA LYS 38 4.152 -7.212 2.139 267 HB2 LYS 38 1HB LYS 38 7.004 -6.484 2.567 268 HB3 LYS 38 2HB LYS 38 5.889 -6.188 3.895 269 HG2 LYS 38 1HG LYS 38 5.820 -8.851 2.586 270 HG3 LYS 38 2HG LYS 38 7.185 -8.472 3.639 271 HD2 LYS 38 1HD LYS 38 5.702 -8.011 5.479 272 HD3 LYS 38 2HD LYS 38 4.288 -8.193 4.438 273 HE2 LYS 38 1HE LYS 38 4.445 -10.222 5.608 274 HE3 LYS 38 2HE LYS 38 5.111 -10.566 4.013 275 HZ1 LYS 38 1HZ LYS 38 6.331 -11.230 6.266 276 HZ2 LYS 38 2HZ LYS 38 7.004 -9.694 6.042 277 HZ3 LYS 38 3HZ LYS 38 7.171 -10.873 4.841 278 H TRP 39 H TRP 39 3.016 -5.826 3.508 279 HA TRP 39 HA TRP 39 3.411 -2.946 3.114 280 HB2 TRP 39 1HB TRP 39 0.895 -4.511 2.608 281 HB3 TRP 39 2HB TRP 39 0.816 -2.817 3.086 282 HD1 TRP 39 HD TRP 39 1.833 -5.062 0.169 283 HE1 TRP 39 1HE TRP 39 2.142 -3.603 -1.928 284 HE3 TRP 39 3HE TRP 39 1.426 -0.445 2.326 285 HZ2 TRP 39 2HZ TRP 39 2.206 -0.858 -2.582 286 HZ3 TRP 39 3HZ TRP 39 1.624 1.547 0.894 287 HH2 TRP 39 HH TRP 39 2.006 1.343 -1.508 288 H LEU 40 H LEU 40 3.904 -2.266 5.099 289 HA LEU 40 HA LEU 40 2.769 -3.515 7.446 290 HB2 LEU 40 1HB LEU 40 5.164 -2.581 7.117 291 HB3 LEU 40 2HB LEU 40 4.424 -1.022 7.476 292 HG LEU 40 HG LEU 40 4.254 -3.383 9.337 293 HD11 LEU 40 1HD1 LEU 40 6.365 -3.081 9.935 294 HD12 LEU 40 2HD1 LEU 40 6.020 -1.394 10.314 295 HD13 LEU 40 3HD1 LEU 40 6.551 -1.842 8.694 296 HD21 LEU 40 1HD2 LEU 40 3.332 -0.591 9.348 297 HD22 LEU 40 2HD2 LEU 40 4.107 -1.134 10.836 298 HD23 LEU 40 3HD2 LEU 40 2.706 -2.000 10.204 299 H LEU 41 H LEU 41 1.317 -2.628 8.862 300 HA LEU 41 HA LEU 41 -0.195 -0.334 7.850 301 HB2 LEU 41 1HB LEU 41 -0.882 -2.362 9.971 302 HB3 LEU 41 2HB LEU 41 -1.937 -1.057 9.432 303 HG LEU 41 HG LEU 41 -2.654 -3.130 8.444 304 HD11 LEU 41 1HD1 LEU 41 -2.181 -0.825 7.066 305 HD12 LEU 41 2HD1 LEU 41 -3.090 -2.207 6.454 306 HD13 LEU 41 3HD1 LEU 41 -1.382 -2.028 6.053 307 HD21 LEU 41 1HD2 LEU 41 -0.208 -3.494 6.831 308 HD22 LEU 41 2HD2 LEU 41 -1.314 -4.690 7.507 309 HD23 LEU 41 3HD2 LEU 41 -0.096 -3.935 8.535 310 HA PRO 42 HA PRO 42 1.169 2.410 10.994 311 HB2 PRO 42 1HB PRO 42 -1.059 3.916 11.370 312 HB3 PRO 42 2HB PRO 42 -0.046 4.042 9.927 313 HG2 PRO 42 1HG PRO 42 -2.620 2.562 10.312 314 HG3 PRO 42 2HG PRO 42 -2.097 3.560 8.942 315 HD2 PRO 42 1HD PRO 42 -1.991 0.855 8.898 316 HD3 PRO 42 2HD PRO 42 -0.816 1.871 8.038 317 H ASN 43 H ASN 43 -0.907 -0.061 11.607 318 HA ASN 43 HA ASN 43 -1.468 0.754 14.369 319 HB2 ASN 43 1HB ASN 43 -2.970 -1.230 14.413 320 HB3 ASN 43 2HB ASN 43 -3.405 -0.064 13.166 321 HD21 ASN 43 1HD2 ASN 43 -1.791 -3.126 13.761 322 HD22 ASN 43 2HD2 ASN 43 -2.011 -3.762 12.170 323 H GLY 44 H GLY 44 0.711 -1.066 12.547 324 HA2 GLY 44 1HA GLY 44 2.666 -1.831 13.877 325 HA3 GLY 44 2HA GLY 44 1.503 -2.594 14.951 326 H THR 45 H THR 45 -0.218 -3.594 12.882 327 HA THR 45 HA THR 45 1.117 -6.047 12.343 328 HB THR 45 HB THR 45 -1.408 -5.229 10.941 329 HG1 THR 45 1HG THR 45 -0.987 -5.554 13.683 330 HG21 THR 45 1HG2 THR 45 0.008 -7.711 11.598 331 HG22 THR 45 2HG2 THR 45 -1.150 -7.373 10.311 332 HG23 THR 45 3HG2 THR 45 -1.722 -7.756 11.935 333 H VAL 46 H VAL 46 0.893 -6.989 10.014 334 HA VAL 46 HA VAL 46 1.385 -5.094 7.889 335 HB VAL 46 HB VAL 46 3.610 -5.209 8.864 336 HG11 VAL 46 1HG1 VAL 46 4.726 -7.122 9.429 337 HG12 VAL 46 2HG1 VAL 46 3.067 -7.646 9.725 338 HG13 VAL 46 3HG1 VAL 46 3.883 -8.101 8.229 339 HG21 VAL 46 1HG2 VAL 46 4.260 -4.989 6.749 340 HG22 VAL 46 2HG2 VAL 46 4.487 -6.737 6.691 341 HG23 VAL 46 3HG2 VAL 46 2.953 -6.030 6.183 342 H LEU 47 H LEU 47 0.730 -5.894 5.983 343 HA LEU 47 HA LEU 47 0.088 -8.763 5.866 344 HB2 LEU 47 1HB LEU 47 -1.061 -6.457 4.301 345 HB3 LEU 47 2HB LEU 47 -1.519 -8.147 4.105 346 HG LEU 47 HG LEU 47 -1.914 -6.555 6.637 347 HD11 LEU 47 1HD1 LEU 47 -4.365 -6.789 5.897 348 HD12 LEU 47 2HD1 LEU 47 -3.701 -7.055 4.285 349 HD13 LEU 47 3HD1 LEU 47 -3.373 -5.545 5.135 350 HD21 LEU 47 1HD2 LEU 47 -2.380 -9.362 5.830 351 HD22 LEU 47 2HD2 LEU 47 -3.650 -8.586 6.777 352 HD23 LEU 47 3HD2 LEU 47 -2.007 -8.680 7.414 353 H SER 48 H SER 48 0.079 -9.624 3.540 354 HA SER 48 HA SER 48 2.019 -8.449 1.755 355 HB2 SER 48 1HB SER 48 3.637 -10.211 1.816 356 HB3 SER 48 2HB SER 48 3.381 -9.700 3.484 357 HG SER 48 HG SER 48 3.319 -12.091 2.807 358 H HIS 49 H HIS 49 2.539 -10.353 0.014 359 HA HIS 49 HA HIS 49 0.201 -10.704 -1.439 360 HB2 HIS 49 1HB HIS 49 2.474 -10.838 -2.403 361 HB3 HIS 49 2HB HIS 49 2.713 -12.384 -1.595 362 HD1 HIS 49 1HD HIS 49 0.040 -10.976 -3.925 363 HD2 HIS 49 2HD HIS 49 2.327 -14.395 -3.341 364 HE1 HIS 49 1HE HIS 49 -0.631 -12.555 -5.763 365 HE2 HIS 49 2HE HIS 49 0.704 -14.649 -5.338 366 H ALA 50 H ALA 50 1.624 -12.708 1.036 367 HA ALA 50 HA ALA 50 0.107 -15.054 0.506 368 HB1 ALA 50 1HB ALA 50 2.254 -14.543 2.046 369 HB2 ALA 50 2HB ALA 50 0.990 -14.572 3.276 370 HB3 ALA 50 3HB ALA 50 1.235 -15.971 2.230 371 H SER 51 H SER 51 -0.217 -12.536 3.013 372 HA SER 51 HA SER 51 -2.380 -13.309 4.396 373 HB2 SER 51 1HB SER 51 -2.882 -11.028 4.847 374 HB3 SER 51 2HB SER 51 -1.145 -11.086 4.551 375 HG SER 51 HG SER 51 -1.852 -10.584 2.264 376 H ARG 52 H ARG 52 -4.618 -13.273 4.222 377 HA ARG 52 HA ARG 52 -5.632 -13.144 1.462 378 HB2 ARG 52 1HB ARG 52 -6.307 -14.872 3.804 379 HB3 ARG 52 2HB ARG 52 -7.567 -14.513 2.631 380 HG2 ARG 52 1HG ARG 52 -6.303 -15.506 0.864 381 HG3 ARG 52 2HG ARG 52 -4.894 -15.690 1.912 382 HD2 ARG 52 1HD ARG 52 -5.843 -17.429 3.102 383 HD3 ARG 52 2HD ARG 52 -7.488 -16.954 2.682 384 HE ARG 52 HE ARG 52 -5.815 -18.744 1.243 385 HH11 ARG 52 2HH1 ARG 52 -8.270 -16.309 0.837 386 HH12 ARG 52 1HH1 ARG 52 -8.849 -16.957 -0.662 387 HH21 ARG 52 2HH2 ARG 52 -6.568 -19.606 -0.729 388 HH22 ARG 52 1HH2 ARG 52 -7.880 -18.833 -1.552 389 H HIS 53 H HIS 53 -5.343 -10.970 3.543 390 HA HIS 53 HA HIS 53 -7.709 -10.180 4.686 391 HB2 HIS 53 1HB HIS 53 -5.335 -9.047 4.607 392 HB3 HIS 53 2HB HIS 53 -6.046 -8.122 3.287 393 HD1 HIS 53 1HD HIS 53 -8.406 -6.888 3.995 394 HD2 HIS 53 2HD HIS 53 -5.815 -7.990 7.051 395 HE1 HIS 53 1HE HIS 53 -9.102 -5.525 5.991 396 HE2 HIS 53 2HE HIS 53 -7.466 -6.145 7.803 397 HA PRO 54 HA PRO 54 -10.466 -9.627 1.271 398 HB2 PRO 54 1HB PRO 54 -12.431 -8.330 2.623 399 HB3 PRO 54 2HB PRO 54 -12.150 -10.069 2.770 400 HG2 PRO 54 1HG PRO 54 -11.292 -7.852 4.588 401 HG3 PRO 54 2HG PRO 54 -11.966 -9.439 5.001 402 HD2 PRO 54 1HD PRO 54 -9.316 -8.903 5.137 403 HD3 PRO 54 2HD PRO 54 -9.945 -10.510 4.723 404 H ARG 55 H ARG 55 -10.149 -6.838 3.480 405 HA ARG 55 HA ARG 55 -10.711 -4.941 1.417 406 HB2 ARG 55 1HB ARG 55 -9.945 -4.824 4.291 407 HB3 ARG 55 2HB ARG 55 -9.647 -3.393 3.313 408 HG2 ARG 55 1HG ARG 55 -12.068 -3.521 2.609 409 HG3 ARG 55 2HG ARG 55 -12.273 -4.738 3.871 410 HD2 ARG 55 1HD ARG 55 -12.725 -2.183 4.339 411 HD3 ARG 55 2HD ARG 55 -12.003 -3.227 5.563 412 HE ARG 55 HE ARG 55 -10.710 -1.080 4.116 413 HH11 ARG 55 2HH1 ARG 55 -10.318 -3.910 6.105 414 HH12 ARG 55 1HH1 ARG 55 -8.733 -3.469 6.647 415 HH21 ARG 55 2HH2 ARG 55 -8.623 -0.489 4.822 416 HH22 ARG 55 1HH2 ARG 55 -7.770 -1.522 5.917 417 H ILE 56 H ILE 56 -7.775 -5.310 3.413 418 HA ILE 56 HA ILE 56 -6.156 -3.879 1.558 419 HB ILE 56 HB ILE 56 -5.253 -5.693 3.796 420 HG12 ILE 56 1HG1 ILE 56 -5.760 -2.710 3.825 421 HG13 ILE 56 2HG1 ILE 56 -6.799 -3.921 4.569 422 HG21 ILE 56 1HG2 ILE 56 -3.830 -4.240 1.803 423 HG22 ILE 56 2HG2 ILE 56 -3.514 -3.505 3.374 424 HG23 ILE 56 3HG2 ILE 56 -3.193 -5.221 3.123 425 HD11 ILE 56 1HD1 ILE 56 -5.186 -2.666 6.075 426 HD12 ILE 56 2HD1 ILE 56 -5.218 -4.424 6.213 427 HD13 ILE 56 3HD1 ILE 56 -3.915 -3.632 5.326 428 H SER 57 H SER 57 -6.230 -4.863 -0.443 429 HA SER 57 HA SER 57 -5.294 -7.638 -0.625 430 HB2 SER 57 1HB SER 57 -6.766 -5.842 -2.548 431 HB3 SER 57 2HB SER 57 -6.016 -7.349 -3.072 432 HG SER 57 HG SER 57 -7.427 -8.486 -1.886 433 H VAL 58 H VAL 58 -3.341 -8.134 -1.403 434 HA VAL 58 HA VAL 58 -1.662 -5.933 -2.388 435 HB VAL 58 HB VAL 58 -0.898 -8.616 -1.232 436 HG11 VAL 58 1HG1 VAL 58 0.631 -7.882 -3.040 437 HG12 VAL 58 2HG1 VAL 58 0.927 -6.394 -2.139 438 HG13 VAL 58 3HG1 VAL 58 1.405 -7.949 -1.457 439 HG21 VAL 58 1HG2 VAL 58 -0.541 -5.808 -0.190 440 HG22 VAL 58 2HG2 VAL 58 -1.677 -7.009 0.425 441 HG23 VAL 58 3HG2 VAL 58 0.059 -7.274 0.584 442 H LEU 59 H LEU 59 -2.375 -5.957 -4.544 443 HA LEU 59 HA LEU 59 -2.655 -8.137 -6.215 444 HB2 LEU 59 1HB LEU 59 -1.559 -5.434 -6.974 445 HB3 LEU 59 2HB LEU 59 -2.286 -6.609 -8.068 446 HG LEU 59 HG LEU 59 -3.655 -4.968 -5.946 447 HD11 LEU 59 1HD1 LEU 59 -4.306 -5.187 -8.867 448 HD12 LEU 59 2HD1 LEU 59 -3.127 -4.029 -8.254 449 HD13 LEU 59 3HD1 LEU 59 -4.804 -3.949 -7.715 450 HD21 LEU 59 1HD2 LEU 59 -5.692 -6.140 -6.447 451 HD22 LEU 59 2HD2 LEU 59 -4.475 -7.310 -5.935 452 HD23 LEU 59 3HD2 LEU 59 -4.872 -7.140 -7.646 453 H ASN 60 H ASN 60 -1.306 -9.232 -7.642 454 HA ASN 60 HA ASN 60 1.152 -10.051 -6.810 455 HB2 ASN 60 1HB ASN 60 1.566 -10.472 -9.368 456 HB3 ASN 60 2HB ASN 60 0.289 -11.346 -8.526 457 HD21 ASN 60 1HD2 ASN 60 -1.868 -10.751 -8.868 458 HD22 ASN 60 2HD2 ASN 60 -2.343 -9.838 -10.256 459 H ASP 61 H ASP 61 0.643 -7.616 -9.369 460 HA ASP 61 HA ASP 61 3.193 -6.862 -9.900 461 HB2 ASP 61 1HB ASP 61 0.620 -5.358 -9.808 462 HB3 ASP 61 2HB ASP 61 2.108 -4.434 -10.000 463 H GLY 62 H GLY 62 1.243 -5.783 -7.142 464 HA2 GLY 62 1HA GLY 62 2.606 -5.608 -5.037 465 HA3 GLY 62 2HA GLY 62 3.698 -4.611 -5.987 466 H THR 63 H THR 63 0.159 -4.585 -5.975 467 HA THR 63 HA THR 63 0.280 -1.795 -5.029 468 HB THR 63 HB THR 63 -1.774 -3.058 -6.856 469 HG1 THR 63 1HG THR 63 -0.103 -0.899 -7.550 470 HG21 THR 63 1HG2 THR 63 -2.823 -1.386 -5.464 471 HG22 THR 63 2HG2 THR 63 -2.612 -0.729 -7.088 472 HG23 THR 63 3HG2 THR 63 -1.520 -0.244 -5.791 473 H LEU 64 H LEU 64 -0.989 -1.183 -3.350 474 HA LEU 64 HA LEU 64 -2.401 -3.310 -1.931 475 HB2 LEU 64 1HB LEU 64 -0.664 -1.642 -0.931 476 HB3 LEU 64 2HB LEU 64 -2.037 -0.538 -0.875 477 HG LEU 64 HG LEU 64 -3.230 -2.067 0.596 478 HD11 LEU 64 1HD1 LEU 64 -0.834 -3.812 0.137 479 HD12 LEU 64 2HD1 LEU 64 -2.543 -4.208 -0.037 480 HD13 LEU 64 3HD1 LEU 64 -1.849 -3.986 1.569 481 HD21 LEU 64 1HD2 LEU 64 -1.520 -0.361 1.429 482 HD22 LEU 64 2HD2 LEU 64 -0.462 -1.743 1.714 483 HD23 LEU 64 3HD2 LEU 64 -2.013 -1.632 2.548 484 H ASN 65 H ASN 65 -4.416 -3.542 -2.724 485 HA ASN 65 HA ASN 65 -6.017 -1.193 -3.356 486 HB2 ASN 65 1HB ASN 65 -6.122 -3.005 -4.949 487 HB3 ASN 65 2HB ASN 65 -6.551 -4.151 -3.682 488 HD21 ASN 65 1HD2 ASN 65 -7.704 -2.068 -6.037 489 HD22 ASN 65 2HD2 ASN 65 -9.372 -2.070 -5.589 490 H PHE 66 H PHE 66 -8.070 -0.793 -2.427 491 HA PHE 66 HA PHE 66 -8.612 -2.171 0.110 492 HB2 PHE 66 1HB PHE 66 -8.556 0.823 -0.312 493 HB3 PHE 66 2HB PHE 66 -9.187 0.033 1.129 494 HD1 PHE 66 1HD PHE 66 -6.110 0.346 -0.931 495 HD2 PHE 66 2HD PHE 66 -7.777 -0.449 2.904 496 HE1 PHE 66 1HE PHE 66 -3.852 0.340 0.045 497 HE2 PHE 66 2HE PHE 66 -5.521 -0.456 3.886 498 HZ PHE 66 HZ PHE 66 -3.555 -0.061 2.457 499 H SER 67 H SER 67 -10.319 -3.281 -0.860 500 HA SER 67 HA SER 67 -12.263 -2.567 -2.539 501 HB2 SER 67 1HB SER 67 -12.187 -4.737 -1.340 502 HB3 SER 67 2HB SER 67 -12.826 -3.943 0.099 503 HG SER 67 HG SER 67 -14.677 -3.384 -1.183 504 H HIS 68 H HIS 68 -12.240 -1.670 0.896 505 HA HIS 68 HA HIS 68 -13.694 0.749 0.317 506 HB2 HIS 68 1HB HIS 68 -15.601 0.319 1.728 507 HB3 HIS 68 2HB HIS 68 -15.499 -0.965 0.528 508 HD1 HIS 68 1HD HIS 68 -14.482 -3.285 1.429 509 HD2 HIS 68 2HD HIS 68 -15.622 -0.531 4.323 510 HE1 HIS 68 1HE HIS 68 -14.658 -4.593 3.570 511 HE2 HIS 68 2HE HIS 68 -15.431 -2.923 5.289 512 H VAL 69 H VAL 69 -12.332 2.096 1.316 513 HA VAL 69 HA VAL 69 -10.879 1.425 3.670 514 HB VAL 69 HB VAL 69 -10.249 3.839 3.698 515 HG11 VAL 69 1HG1 VAL 69 -9.171 1.978 2.271 516 HG12 VAL 69 2HG1 VAL 69 -9.935 2.798 0.907 517 HG13 VAL 69 3HG1 VAL 69 -8.771 3.658 1.915 518 HG21 VAL 69 1HG2 VAL 69 -11.399 4.361 1.060 519 HG22 VAL 69 2HG2 VAL 69 -12.594 4.229 2.350 520 HG23 VAL 69 3HG2 VAL 69 -11.287 5.406 2.476 521 H LEU 70 H LEU 70 -10.958 2.804 5.662 522 HA LEU 70 HA LEU 70 -13.669 3.703 6.327 523 HB2 LEU 70 1HB LEU 70 -12.105 2.105 8.309 524 HB3 LEU 70 2HB LEU 70 -13.838 2.420 8.250 525 HG LEU 70 HG LEU 70 -12.624 0.764 6.092 526 HD11 LEU 70 1HD1 LEU 70 -11.907 -0.842 7.437 527 HD12 LEU 70 2HD1 LEU 70 -13.515 -0.963 8.152 528 HD13 LEU 70 3HD1 LEU 70 -12.323 0.135 8.846 529 HD21 LEU 70 1HD2 LEU 70 -14.883 1.115 5.742 530 HD22 LEU 70 2HD2 LEU 70 -15.268 1.048 7.462 531 HD23 LEU 70 3HD2 LEU 70 -14.872 -0.433 6.587 532 H LEU 71 H LEU 71 -13.773 5.126 8.166 533 HA LEU 71 HA LEU 71 -11.879 7.137 8.186 534 HB2 LEU 71 1HB LEU 71 -13.886 6.317 10.271 535 HB3 LEU 71 2HB LEU 71 -12.902 7.773 10.411 536 HG LEU 71 HG LEU 71 -14.882 7.212 8.203 537 HD11 LEU 71 1HD1 LEU 71 -15.876 7.583 10.466 538 HD12 LEU 71 2HD1 LEU 71 -16.324 8.788 9.259 539 HD13 LEU 71 3HD1 LEU 71 -15.109 9.171 10.478 540 HD21 LEU 71 1HD2 LEU 71 -13.400 8.660 7.219 541 HD22 LEU 71 2HD2 LEU 71 -12.947 9.413 8.749 542 HD23 LEU 71 3HD2 LEU 71 -14.497 9.799 8.000 543 H SER 72 H SER 72 -11.922 4.140 9.935 544 HA SER 72 HA SER 72 -9.896 4.921 11.829 545 HB2 SER 72 1HB SER 72 -11.322 2.358 11.187 546 HB3 SER 72 2HB SER 72 -9.881 2.335 12.203 547 HG SER 72 HG SER 72 -11.882 2.554 13.375 548 H ASP 73 H ASP 73 -10.023 3.384 8.705 549 HA ASP 73 HA ASP 73 -7.464 2.208 8.695 550 HB2 ASP 73 1HB ASP 73 -9.145 3.247 6.405 551 HB3 ASP 73 2HB ASP 73 -7.695 2.266 6.213 552 H THR 74 H THR 74 -8.448 5.466 8.577 553 HA THR 74 HA THR 74 -6.494 6.674 7.014 554 HB THR 74 HB THR 74 -7.760 7.736 9.547 555 HG1 THR 74 1HG THR 74 -9.439 8.063 8.311 556 HG21 THR 74 1HG2 THR 74 -6.874 9.796 9.126 557 HG22 THR 74 2HG2 THR 74 -6.789 9.525 7.386 558 HG23 THR 74 3HG2 THR 74 -5.580 8.807 8.450 559 H GLY 75 H GLY 75 -4.355 6.794 7.182 560 HA2 GLY 75 1HA GLY 75 -2.899 7.418 9.457 561 HA3 GLY 75 2HA GLY 75 -2.953 5.663 9.381 562 H VAL 76 H VAL 76 -0.659 5.677 9.128 563 HA VAL 76 HA VAL 76 0.251 6.564 6.470 564 HB VAL 76 HB VAL 76 1.711 6.268 9.078 565 HG11 VAL 76 1HG1 VAL 76 3.822 6.611 7.854 566 HG12 VAL 76 2HG1 VAL 76 3.058 5.070 7.458 567 HG13 VAL 76 3HG1 VAL 76 2.951 6.424 6.333 568 HG21 VAL 76 1HG2 VAL 76 2.559 8.544 8.310 569 HG22 VAL 76 2HG2 VAL 76 1.307 8.468 7.071 570 HG23 VAL 76 3HG2 VAL 76 0.862 8.440 8.777 571 H TYR 77 H TYR 77 0.833 5.074 5.030 572 HA TYR 77 HA TYR 77 1.169 2.301 5.964 573 HB2 TYR 77 1HB TYR 77 0.202 3.375 3.310 574 HB3 TYR 77 2HB TYR 77 0.552 1.676 3.608 575 HD1 TYR 77 2HD TYR 77 -1.613 4.492 4.683 576 HD2 TYR 77 1HD TYR 77 -1.050 0.276 4.611 577 HE1 TYR 77 2HE TYR 77 -3.898 4.179 5.536 578 HE2 TYR 77 1HE TYR 77 -3.334 -0.050 5.463 579 HH TYR 77 HH TYR 77 -5.142 2.362 6.843 580 H THR 78 H THR 78 3.081 1.356 5.707 581 HA THR 78 HA THR 78 5.033 2.626 3.899 582 HB THR 78 HB THR 78 5.576 1.110 6.460 583 HG1 THR 78 1HG THR 78 5.969 3.074 7.331 584 HG21 THR 78 1HG2 THR 78 7.798 1.151 6.006 585 HG22 THR 78 2HG2 THR 78 7.697 2.670 5.116 586 HG23 THR 78 3HG2 THR 78 7.228 1.159 4.338 587 H CYS 79 H CYS 79 5.677 1.437 2.234 588 HA CYS 79 HA CYS 79 4.978 -1.380 2.126 589 HB2 CYS 79 1HB CYS 79 4.463 -0.089 0.162 590 HB3 CYS 79 2HB CYS 79 6.111 0.519 0.067 591 HG CYS 79 HG CYS 79 4.829 -2.359 -1.055 592 H MET 80 H MET 80 6.414 -3.067 1.935 593 HA MET 80 HA MET 80 9.245 -2.403 2.414 594 HB2 MET 80 1HB MET 80 7.726 -4.822 3.404 595 HB3 MET 80 2HB MET 80 9.424 -4.477 3.705 596 HG2 MET 80 1HG MET 80 8.610 -2.324 4.804 597 HG3 MET 80 2HG MET 80 7.010 -3.063 4.776 598 HE1 MET 80 1HE MET 80 6.182 -4.689 5.881 599 HE2 MET 80 2HE MET 80 7.011 -5.997 6.725 600 HE3 MET 80 3HE MET 80 6.505 -4.558 7.610 601 H VAL 81 H VAL 81 10.789 -3.461 1.240 602 HA VAL 81 HA VAL 81 9.871 -5.471 -0.703 603 HB VAL 81 HB VAL 81 11.822 -3.251 -1.329 604 HG11 VAL 81 1HG1 VAL 81 11.822 -5.651 -2.466 605 HG12 VAL 81 2HG1 VAL 81 10.532 -4.915 -3.419 606 HG13 VAL 81 3HG1 VAL 81 12.134 -4.178 -3.384 607 HG21 VAL 81 1HG2 VAL 81 9.630 -2.299 -1.129 608 HG22 VAL 81 2HG2 VAL 81 10.021 -2.431 -2.843 609 HG23 VAL 81 3HG2 VAL 81 8.927 -3.595 -2.097 610 H THR 82 H THR 82 10.866 -7.298 -0.164 611 HA THR 82 HA THR 82 13.642 -7.179 0.798 612 HB THR 82 HB THR 82 12.996 -9.725 1.300 613 HG1 THR 82 1HG THR 82 10.798 -9.806 1.951 614 HG21 THR 82 1HG2 THR 82 13.581 -7.638 2.821 615 HG22 THR 82 2HG2 THR 82 12.935 -9.127 3.511 616 HG23 THR 82 3HG2 THR 82 11.869 -7.753 3.224 617 H ASN 83 H ASN 83 15.153 -7.631 -0.653 618 HA ASN 83 HA ASN 83 14.618 -9.728 -2.643 619 HB2 ASN 83 1HB ASN 83 16.204 -7.245 -3.289 620 HB3 ASN 83 2HB ASN 83 15.585 -8.460 -4.403 621 HD21 ASN 83 1HD2 ASN 83 15.149 -5.736 -4.721 622 HD22 ASN 83 2HD2 ASN 83 13.462 -5.417 -4.525 623 H VAL 84 H VAL 84 16.796 -10.311 -3.777 624 HA VAL 84 HA VAL 84 18.564 -11.213 -1.711 625 HB VAL 84 HB VAL 84 18.092 -12.616 -3.662 626 HG11 VAL 84 1HG1 VAL 84 19.629 -10.550 -5.234 627 HG12 VAL 84 2HG1 VAL 84 19.009 -12.083 -5.852 628 HG13 VAL 84 3HG1 VAL 84 17.890 -10.825 -5.326 629 HG21 VAL 84 1HG2 VAL 84 20.905 -12.277 -4.209 630 HG22 VAL 84 2HG2 VAL 84 20.576 -12.159 -2.480 631 HG23 VAL 84 3HG2 VAL 84 20.074 -13.592 -3.378 632 H ALA 85 H ALA 85 18.513 -8.566 -3.950 633 HA ALA 85 HA ALA 85 21.324 -7.970 -3.709 634 HB1 ALA 85 1HB ALA 85 19.343 -5.982 -4.717 635 HB2 ALA 85 2HB ALA 85 20.985 -6.319 -5.270 636 HB3 ALA 85 3HB ALA 85 19.675 -7.431 -5.668 637 H GLY 86 H GLY 86 18.310 -6.396 -2.623 638 HA2 GLY 86 1HA GLY 86 19.582 -5.574 -0.164 639 HA3 GLY 86 2HA GLY 86 19.240 -4.246 -1.263 640 H ASN 87 H ASN 87 17.944 -3.623 0.709 641 HA ASN 87 HA ASN 87 15.213 -4.652 0.380 642 HB2 ASN 87 1HB ASN 87 16.337 -3.918 3.081 643 HB3 ASN 87 2HB ASN 87 14.831 -4.757 2.722 644 HD21 ASN 87 1HD2 ASN 87 16.688 -5.729 4.524 645 HD22 ASN 87 2HD2 ASN 87 17.375 -7.184 3.895 646 H SER 88 H SER 88 13.865 -3.069 -0.129 647 HA SER 88 HA SER 88 14.464 -0.345 0.824 648 HB2 SER 88 1HB SER 88 13.570 0.542 -1.262 649 HB3 SER 88 2HB SER 88 14.872 -0.595 -1.612 650 HG SER 88 HG SER 88 12.120 -1.285 -1.629 651 H ASN 89 H ASN 89 12.545 1.080 0.936 652 HA ASN 89 HA ASN 89 9.954 -0.184 1.101 653 HB2 ASN 89 1HB ASN 89 9.613 0.525 3.486 654 HB3 ASN 89 2HB ASN 89 10.762 -0.795 3.280 655 HD21 ASN 89 1HD2 ASN 89 11.816 -0.394 5.194 656 HD22 ASN 89 2HD2 ASN 89 12.824 0.989 5.436 657 H ALA 90 H ALA 90 8.246 1.288 1.129 658 HA ALA 90 HA ALA 90 9.029 4.114 0.819 659 HB1 ALA 90 1HB ALA 90 8.273 2.879 -1.275 660 HB2 ALA 90 2HB ALA 90 6.664 2.871 -0.553 661 HB3 ALA 90 3HB ALA 90 7.463 4.403 -0.907 662 H SER 91 H SER 91 6.951 5.551 1.015 663 HA SER 91 HA SER 91 5.218 4.586 3.171 664 HB2 SER 91 1HB SER 91 6.724 7.211 3.281 665 HB3 SER 91 2HB SER 91 5.567 6.627 4.478 666 HG SER 91 HG SER 91 7.804 5.063 3.803 667 H ALA 92 H ALA 92 3.263 5.800 3.427 668 HA ALA 92 HA ALA 92 2.582 7.958 1.705 669 HB1 ALA 92 1HB ALA 92 2.618 5.859 0.197 670 HB2 ALA 92 2HB ALA 92 1.103 5.452 1.005 671 HB3 ALA 92 3HB ALA 92 1.242 6.958 0.098 672 H TYR 93 H TYR 93 1.050 9.081 2.712 673 HA TYR 93 HA TYR 93 -0.416 7.824 4.893 674 HB2 TYR 93 1HB TYR 93 0.732 9.987 5.266 675 HB3 TYR 93 2HB TYR 93 -0.308 10.731 4.056 676 HD1 TYR 93 2HD TYR 93 -2.878 10.534 4.499 677 HD2 TYR 93 1HD TYR 93 0.102 10.045 7.497 678 HE1 TYR 93 2HE TYR 93 -4.551 11.024 6.234 679 HE2 TYR 93 1HE TYR 93 -1.563 10.533 9.240 680 HH TYR 93 HH TYR 93 -4.196 12.031 8.901 681 H LEU 94 H LEU 94 -2.526 7.352 4.849 682 HA LEU 94 HA LEU 94 -4.028 8.051 2.423 683 HB2 LEU 94 1HB LEU 94 -3.849 5.687 2.784 684 HB3 LEU 94 2HB LEU 94 -4.404 5.854 4.448 685 HG LEU 94 HG LEU 94 -6.587 6.749 3.362 686 HD11 LEU 94 1HD1 LEU 94 -5.366 5.222 1.068 687 HD12 LEU 94 2HD1 LEU 94 -5.759 6.941 1.095 688 HD13 LEU 94 3HD1 LEU 94 -7.049 5.741 1.169 689 HD21 LEU 94 1HD2 LEU 94 -5.818 3.837 3.190 690 HD22 LEU 94 2HD2 LEU 94 -7.463 4.473 3.230 691 HD23 LEU 94 3HD2 LEU 94 -6.406 4.670 4.629 692 H ASN 95 H ASN 95 -5.799 9.296 2.514 693 HA ASN 95 HA ASN 95 -6.719 10.150 5.177 694 HB2 ASN 95 1HB ASN 95 -6.049 12.129 4.222 695 HB3 ASN 95 2HB ASN 95 -6.386 11.578 2.584 696 HD21 ASN 95 1HD2 ASN 95 -8.630 11.363 5.257 697 HD22 ASN 95 2HD2 ASN 95 -9.768 12.509 4.644 698 H VAL 96 H VAL 96 -8.706 9.608 5.784 699 HA VAL 96 HA VAL 96 -10.637 8.802 3.706 700 HB VAL 96 HB VAL 96 -10.560 7.720 6.521 701 HG11 VAL 96 1HG1 VAL 96 -12.419 7.539 4.330 702 HG12 VAL 96 2HG1 VAL 96 -11.810 5.941 4.766 703 HG13 VAL 96 3HG1 VAL 96 -12.578 6.956 5.987 704 HG21 VAL 96 1HG2 VAL 96 -9.379 6.592 3.990 705 HG22 VAL 96 2HG2 VAL 96 -8.540 6.982 5.492 706 HG23 VAL 96 3HG2 VAL 96 -9.677 5.634 5.441 707 H SER 97 H SER 97 -12.486 9.899 3.647 708 HA SER 97 HA SER 97 -13.276 11.442 6.030 709 HB2 SER 97 1HB SER 97 -13.018 12.279 3.184 710 HB3 SER 97 2HB SER 97 -14.368 12.942 4.106 711 HG SER 97 HG SER 97 -11.802 13.662 4.171 712 H SER 98 H SER 98 -15.299 11.154 6.730 713 HA SER 98 HA SER 98 -16.911 9.078 5.861 714 HB2 SER 98 1HB SER 98 -18.517 9.824 7.406 715 HB3 SER 98 2HB SER 98 -16.996 10.426 8.066 716 HG SER 98 HG SER 98 -18.204 12.198 8.096 717 H GLY 99 H GLY 99 -18.694 8.899 4.542 718 HA2 GLY 99 1HA GLY 99 -18.860 10.835 2.403 719 HA3 GLY 99 2HA GLY 99 -19.734 9.314 2.507 720 HA PRO 100 HA PRO 100 -22.371 13.136 3.659 721 HB2 PRO 100 1HB PRO 100 -23.644 13.526 1.293 722 HB3 PRO 100 2HB PRO 100 -22.136 14.344 1.719 723 HG2 PRO 100 1HG PRO 100 -22.561 11.926 0.007 724 HG3 PRO 100 2HG PRO 100 -21.493 13.315 -0.264 725 HD2 PRO 100 1HD PRO 100 -20.589 10.947 0.688 726 HD3 PRO 100 2HD PRO 100 -19.866 12.501 1.151 727 H SER 101 H SER 101 -22.917 10.245 1.740 728 HA SER 101 HA SER 101 -25.718 10.090 2.089 729 HB2 SER 101 1HB SER 101 -25.499 7.774 1.346 730 HB3 SER 101 2HB SER 101 -24.482 8.821 0.357 731 HG SER 101 HG SER 101 -23.369 6.939 1.017 732 H SER 102 H SER 102 -26.792 8.272 3.298 733 HA SER 102 HA SER 102 -26.079 8.466 6.067 734 HB2 SER 102 1HB SER 102 -28.432 8.430 5.361 735 HB3 SER 102 2HB SER 102 -28.219 6.804 4.713 736 HG SER 102 HG SER 102 -28.627 6.109 6.641 737 H GLY 103 H GLY 103 -26.220 5.806 3.706 738 HA2 GLY 103 1HA GLY 103 -23.927 4.501 4.535 739 HA3 GLY 103 2HA GLY 103 -25.229 3.841 5.515 Start of MODEL 3 1 H1 GLY 1 H GLY 1 14.279 20.424 -1.705 2 HA2 GLY 1 1HA GLY 1 13.289 18.318 -3.529 3 HA3 GLY 1 2HA GLY 1 14.514 19.495 -3.979 4 H SER 2 H SER 2 14.707 16.614 -4.085 5 HA SER 2 HA SER 2 16.557 15.947 -1.929 6 HB2 SER 2 1HB SER 2 16.499 13.673 -2.857 7 HB3 SER 2 2HB SER 2 14.866 14.278 -2.580 8 HG SER 2 HG SER 2 14.840 14.838 -4.843 9 H SER 3 H SER 3 18.596 14.784 -2.555 10 HA SER 3 HA SER 3 19.779 15.938 -4.992 11 HB2 SER 3 1HB SER 3 20.773 16.028 -2.173 12 HB3 SER 3 2HB SER 3 21.951 15.917 -3.481 13 HG SER 3 HG SER 3 20.540 17.758 -4.365 14 H GLY 4 H GLY 4 22.045 14.829 -5.346 15 HA2 GLY 4 1HA GLY 4 23.239 12.906 -5.769 16 HA3 GLY 4 2HA GLY 4 22.317 12.121 -4.495 17 H SER 5 H SER 5 22.649 10.362 -6.210 18 HA SER 5 HA SER 5 20.348 10.422 -8.052 19 HB2 SER 5 1HB SER 5 22.575 10.488 -9.207 20 HB3 SER 5 2HB SER 5 22.933 8.913 -8.498 21 HG SER 5 HG SER 5 21.573 7.983 -9.841 22 H SER 6 H SER 6 19.960 9.585 -5.491 23 HA SER 6 HA SER 6 20.418 6.936 -4.852 24 HB2 SER 6 1HB SER 6 19.326 8.742 -3.417 25 HB3 SER 6 2HB SER 6 17.818 8.345 -4.241 26 HG SER 6 HG SER 6 18.020 6.224 -3.461 27 H GLY 7 H GLY 7 19.621 5.013 -5.480 28 HA2 GLY 7 1HA GLY 7 17.195 4.946 -7.129 29 HA3 GLY 7 2HA GLY 7 18.675 4.277 -7.800 30 HA PRO 8 HA PRO 8 17.196 1.516 -4.068 31 HB2 PRO 8 1HB PRO 8 14.525 1.652 -3.597 32 HB3 PRO 8 2HB PRO 8 15.702 2.671 -2.759 33 HG2 PRO 8 1HG PRO 8 13.956 3.327 -5.101 34 HG3 PRO 8 2HG PRO 8 14.324 4.308 -3.670 35 HD2 PRO 8 1HD PRO 8 15.543 4.697 -6.056 36 HD3 PRO 8 2HD PRO 8 16.359 4.992 -4.507 37 H PHE 9 H PHE 9 15.151 -0.204 -4.004 38 HA PHE 9 HA PHE 9 15.030 -1.218 -6.762 39 HB2 PHE 9 1HB PHE 9 14.934 -2.643 -4.102 40 HB3 PHE 9 2HB PHE 9 14.564 -3.436 -5.629 41 HD1 PHE 9 2HD PHE 9 17.224 -1.629 -3.793 42 HD2 PHE 9 1HD PHE 9 16.269 -4.264 -6.997 43 HE1 PHE 9 2HE PHE 9 19.619 -2.081 -4.131 44 HE2 PHE 9 1HE PHE 9 18.662 -4.720 -7.340 45 HZ PHE 9 HZ PHE 9 20.341 -3.627 -5.907 46 H ILE 10 H ILE 10 13.203 0.703 -6.253 47 HA ILE 10 HA ILE 10 10.697 -0.829 -6.069 48 HB ILE 10 HB ILE 10 11.148 1.943 -4.954 49 HG12 ILE 10 1HG1 ILE 10 10.421 -0.583 -3.466 50 HG13 ILE 10 2HG1 ILE 10 12.079 -0.018 -3.642 51 HG21 ILE 10 1HG2 ILE 10 8.712 0.928 -4.057 52 HG22 ILE 10 2HG2 ILE 10 8.960 2.219 -5.230 53 HG23 ILE 10 3HG2 ILE 10 8.760 0.556 -5.780 54 HD11 ILE 10 1HD1 ILE 10 10.806 0.559 -1.498 55 HD12 ILE 10 2HD1 ILE 10 11.712 1.841 -2.302 56 HD13 ILE 10 3HD1 ILE 10 9.961 1.750 -2.487 57 H MET 11 H MET 11 10.766 -0.910 -8.381 58 HA MET 11 HA MET 11 11.096 0.945 -10.263 59 HB2 MET 11 1HB MET 11 8.857 -1.050 -10.008 60 HB3 MET 11 2HB MET 11 9.028 -0.037 -11.435 61 HG2 MET 11 1HG MET 11 11.357 -1.635 -10.488 62 HG3 MET 11 2HG MET 11 10.055 -2.430 -11.369 63 HE1 MET 11 1HE MET 11 11.158 -3.008 -13.900 64 HE2 MET 11 2HE MET 11 12.731 -2.235 -14.100 65 HE3 MET 11 3HE MET 11 12.332 -3.045 -12.584 66 H ASP 12 H ASP 12 8.453 0.910 -7.964 67 HA ASP 12 HA ASP 12 7.861 3.677 -8.614 68 HB2 ASP 12 1HB ASP 12 6.385 2.036 -10.013 69 HB3 ASP 12 2HB ASP 12 5.524 1.801 -8.495 70 H ALA 13 H ALA 13 7.582 4.781 -6.793 71 HA ALA 13 HA ALA 13 7.057 3.289 -4.322 72 HB1 ALA 13 1HB ALA 13 8.227 6.030 -4.771 73 HB2 ALA 13 2HB ALA 13 7.904 5.331 -3.184 74 HB3 ALA 13 3HB ALA 13 9.082 4.575 -4.258 75 HA PRO 14 HA PRO 14 2.987 4.939 -3.990 76 HB2 PRO 14 1HB PRO 14 2.648 4.694 -1.308 77 HB3 PRO 14 2HB PRO 14 2.621 3.312 -2.409 78 HG2 PRO 14 1HG PRO 14 4.849 4.310 -0.677 79 HG3 PRO 14 2HG PRO 14 4.314 2.644 -0.962 80 HD2 PRO 14 1HD PRO 14 6.468 3.716 -2.205 81 HD3 PRO 14 2HD PRO 14 5.431 2.496 -2.973 82 H ARG 15 H ARG 15 1.808 6.732 -3.149 83 HA ARG 15 HA ARG 15 3.330 8.750 -1.681 84 HB2 ARG 15 1HB ARG 15 3.362 8.983 -4.319 85 HB3 ARG 15 2HB ARG 15 1.768 9.676 -4.049 86 HG2 ARG 15 1HG ARG 15 2.760 11.322 -2.519 87 HG3 ARG 15 2HG ARG 15 4.355 10.643 -2.850 88 HD2 ARG 15 1HD ARG 15 4.438 11.511 -4.962 89 HD3 ARG 15 2HD ARG 15 2.687 11.478 -5.161 90 HE ARG 15 HE ARG 15 3.335 13.361 -3.189 91 HH11 ARG 15 2HH1 ARG 15 3.662 12.870 -6.620 92 HH12 ARG 15 1HH1 ARG 15 3.657 14.561 -6.995 93 HH21 ARG 15 2HH2 ARG 15 3.327 15.591 -3.670 94 HH22 ARG 15 1HH2 ARG 15 3.467 16.108 -5.316 95 H ASP 16 H ASP 16 2.017 10.382 -0.701 96 HA ASP 16 HA ASP 16 -0.116 9.650 0.720 97 HB2 ASP 16 1HB ASP 16 0.509 11.785 1.265 98 HB3 ASP 16 2HB ASP 16 0.680 12.279 -0.417 99 H LEU 17 H LEU 17 -2.331 9.496 0.552 100 HA LEU 17 HA LEU 17 -3.558 9.975 -2.060 101 HB2 LEU 17 1HB LEU 17 -2.983 7.673 -2.195 102 HB3 LEU 17 2HB LEU 17 -3.571 7.366 -0.563 103 HG LEU 17 HG LEU 17 -5.880 8.041 -1.542 104 HD11 LEU 17 1HD1 LEU 17 -4.458 8.579 -3.769 105 HD12 LEU 17 2HD1 LEU 17 -6.168 8.150 -3.770 106 HD13 LEU 17 3HD1 LEU 17 -4.950 6.917 -4.096 107 HD21 LEU 17 1HD2 LEU 17 -4.431 5.569 -1.381 108 HD22 LEU 17 2HD2 LEU 17 -5.565 5.522 -2.731 109 HD23 LEU 17 3HD2 LEU 17 -6.144 5.881 -1.103 110 H ASN 18 H ASN 18 -5.542 10.836 -1.921 111 HA ASN 18 HA ASN 18 -6.843 10.840 0.723 112 HB2 ASN 18 1HB ASN 18 -7.933 13.003 -0.208 113 HB3 ASN 18 2HB ASN 18 -6.268 13.075 0.359 114 HD21 ASN 18 1HD2 ASN 18 -8.361 13.116 -2.408 115 HD22 ASN 18 2HD2 ASN 18 -7.185 13.675 -3.544 116 H ILE 19 H ILE 19 -8.455 9.408 0.668 117 HA ILE 19 HA ILE 19 -10.354 9.563 -1.573 118 HB ILE 19 HB ILE 19 -9.030 7.542 -1.888 119 HG12 ILE 19 1HG1 ILE 19 -11.645 6.559 -0.799 120 HG13 ILE 19 2HG1 ILE 19 -11.634 7.674 -2.161 121 HG21 ILE 19 1HG2 ILE 19 -8.588 7.394 0.668 122 HG22 ILE 19 2HG2 ILE 19 -10.055 6.417 0.684 123 HG23 ILE 19 3HG2 ILE 19 -8.672 5.914 -0.287 124 HD11 ILE 19 1HD1 ILE 19 -11.099 4.841 -2.087 125 HD12 ILE 19 2HD1 ILE 19 -11.432 5.894 -3.462 126 HD13 ILE 19 3HD1 ILE 19 -9.785 5.733 -2.852 127 H SER 20 H SER 20 -12.527 8.946 -1.060 128 HA SER 20 HA SER 20 -13.269 9.713 1.625 129 HB2 SER 20 1HB SER 20 -14.750 9.213 -0.931 130 HB3 SER 20 2HB SER 20 -15.638 9.225 0.592 131 HG SER 20 HG SER 20 -14.458 11.326 0.913 132 H GLU 21 H GLU 21 -15.015 8.444 2.759 133 HA GLU 21 HA GLU 21 -14.075 5.784 3.200 134 HB2 GLU 21 1HB GLU 21 -14.874 6.911 5.113 135 HB3 GLU 21 2HB GLU 21 -16.360 7.398 4.309 136 HG2 GLU 21 1HG GLU 21 -15.843 4.496 4.638 137 HG3 GLU 21 2HG GLU 21 -16.295 5.429 6.064 138 H GLY 22 H GLY 22 -15.067 3.829 2.761 139 HA2 GLY 22 1HA GLY 22 -16.455 2.329 1.700 140 HA3 GLY 22 2HA GLY 22 -17.640 3.619 1.554 141 H ARG 23 H ARG 23 -14.368 3.776 0.287 142 HA ARG 23 HA ARG 23 -15.444 3.503 -2.437 143 HB2 ARG 23 1HB ARG 23 -13.512 5.616 -1.466 144 HB3 ARG 23 2HB ARG 23 -13.932 5.340 -3.151 145 HG2 ARG 23 1HG ARG 23 -16.374 5.702 -2.299 146 HG3 ARG 23 2HG ARG 23 -15.567 6.518 -0.959 147 HD2 ARG 23 1HD ARG 23 -14.382 7.946 -2.587 148 HD3 ARG 23 2HD ARG 23 -15.274 7.164 -3.890 149 HE ARG 23 HE ARG 23 -16.955 8.316 -1.862 150 HH11 ARG 23 2HH1 ARG 23 -15.207 8.908 -4.814 151 HH12 ARG 23 1HH1 ARG 23 -16.192 10.255 -5.280 152 HH21 ARG 23 2HH2 ARG 23 -18.258 10.088 -2.464 153 HH22 ARG 23 1HH2 ARG 23 -17.927 10.926 -3.942 154 H MET 24 H MET 24 -13.600 3.274 -4.067 155 HA MET 24 HA MET 24 -11.820 1.200 -3.069 156 HB2 MET 24 1HB MET 24 -13.257 1.232 -5.292 157 HB3 MET 24 2HB MET 24 -11.841 2.059 -5.928 158 HG2 MET 24 1HG MET 24 -10.457 0.214 -5.571 159 HG3 MET 24 2HG MET 24 -11.605 -0.545 -4.471 160 HE1 MET 24 1HE MET 24 -10.403 -2.413 -7.125 161 HE2 MET 24 2HE MET 24 -11.120 -2.633 -5.529 162 HE3 MET 24 3HE MET 24 -11.944 -3.255 -6.959 163 H ALA 25 H ALA 25 -9.781 1.578 -2.528 164 HA ALA 25 HA ALA 25 -8.404 3.885 -3.738 165 HB1 ALA 25 1HB ALA 25 -7.782 4.713 -1.749 166 HB2 ALA 25 2HB ALA 25 -9.131 3.765 -1.121 167 HB3 ALA 25 3HB ALA 25 -7.493 3.115 -1.061 168 H GLU 26 H GLU 26 -6.174 3.666 -4.111 169 HA GLU 26 HA GLU 26 -4.978 1.038 -3.656 170 HB2 GLU 26 1HB GLU 26 -5.299 2.341 -6.359 171 HB3 GLU 26 2HB GLU 26 -4.135 1.061 -6.046 172 HG2 GLU 26 1HG GLU 26 -6.041 -0.373 -5.297 173 HG3 GLU 26 2HG GLU 26 -7.130 0.892 -5.865 174 H LEU 27 H LEU 27 -2.698 1.023 -3.706 175 HA LEU 27 HA LEU 27 -1.498 3.703 -3.487 176 HB2 LEU 27 1HB LEU 27 -1.050 1.142 -2.041 177 HB3 LEU 27 2HB LEU 27 0.317 2.233 -2.256 178 HG LEU 27 HG LEU 27 -2.225 3.275 -1.083 179 HD11 LEU 27 1HD1 LEU 27 -1.355 1.069 0.029 180 HD12 LEU 27 2HD1 LEU 27 -1.842 2.445 1.018 181 HD13 LEU 27 3HD1 LEU 27 -0.132 2.144 0.709 182 HD21 LEU 27 1HD2 LEU 27 0.463 4.000 -0.097 183 HD22 LEU 27 2HD2 LEU 27 -0.949 5.013 -0.400 184 HD23 LEU 27 3HD2 LEU 27 0.070 4.493 -1.744 185 H LYS 28 H LYS 28 -0.347 4.243 -5.211 186 HA LYS 28 HA LYS 28 0.506 2.506 -7.223 187 HB2 LYS 28 1HB LYS 28 1.528 5.248 -6.466 188 HB3 LYS 28 2HB LYS 28 1.963 4.408 -7.948 189 HG2 LYS 28 1HG LYS 28 -0.903 4.923 -7.259 190 HG3 LYS 28 2HG LYS 28 0.091 6.163 -8.026 191 HD2 LYS 28 1HD LYS 28 0.023 3.414 -9.188 192 HD3 LYS 28 2HD LYS 28 -1.330 4.510 -9.479 193 HE2 LYS 28 1HE LYS 28 0.086 6.110 -10.521 194 HE3 LYS 28 2HE LYS 28 1.539 5.258 -10.000 195 HZ1 LYS 28 1HZ LYS 28 0.084 4.916 -12.366 196 HZ2 LYS 28 2HZ LYS 28 -0.035 3.481 -11.478 197 HZ3 LYS 28 3HZ LYS 28 1.486 4.108 -11.873 198 H CYS 29 H CYS 29 1.746 0.791 -6.676 199 HA CYS 29 HA CYS 29 4.478 1.350 -5.849 200 HB2 CYS 29 1HB CYS 29 3.499 0.943 -3.707 201 HB3 CYS 29 2HB CYS 29 2.608 -0.450 -4.309 202 HG CYS 29 HG CYS 29 5.985 -0.579 -4.467 203 H ARG 30 H ARG 30 5.831 0.237 -7.088 204 HA ARG 30 HA ARG 30 4.908 -2.309 -8.246 205 HB2 ARG 30 1HB ARG 30 6.173 0.052 -9.572 206 HB3 ARG 30 2HB ARG 30 6.531 -1.557 -10.185 207 HG2 ARG 30 1HG ARG 30 4.746 -0.982 -11.491 208 HG3 ARG 30 2HG ARG 30 3.929 -1.817 -10.168 209 HD2 ARG 30 1HD ARG 30 2.651 0.067 -10.257 210 HD3 ARG 30 2HD ARG 30 3.897 0.621 -9.139 211 HE ARG 30 HE ARG 30 4.446 2.195 -10.682 212 HH11 ARG 30 2HH1 ARG 30 3.003 -0.501 -12.345 213 HH12 ARG 30 1HH1 ARG 30 3.087 0.248 -13.905 214 HH21 ARG 30 2HH2 ARG 30 4.562 3.192 -12.731 215 HH22 ARG 30 1HH2 ARG 30 3.975 2.348 -14.123 216 H THR 31 H THR 31 6.250 -3.988 -8.009 217 HA THR 31 HA THR 31 9.019 -3.441 -7.159 218 HB THR 31 HB THR 31 8.941 -5.425 -5.726 219 HG1 THR 31 1HG THR 31 7.308 -6.774 -5.821 220 HG21 THR 31 1HG2 THR 31 6.579 -3.682 -5.049 221 HG22 THR 31 2HG2 THR 31 8.248 -3.131 -4.898 222 HG23 THR 31 3HG2 THR 31 7.682 -4.501 -3.944 223 HA PRO 32 HA PRO 32 10.350 -6.063 -10.425 224 HB2 PRO 32 1HB PRO 32 12.657 -7.030 -9.372 225 HB3 PRO 32 2HB PRO 32 12.484 -5.365 -9.938 226 HG2 PRO 32 1HG PRO 32 12.341 -6.441 -7.149 227 HG3 PRO 32 2HG PRO 32 13.149 -4.980 -7.744 228 HD2 PRO 32 1HD PRO 32 10.740 -4.912 -6.510 229 HD3 PRO 32 2HD PRO 32 11.193 -3.762 -7.785 230 HA PRO 33 HA PRO 33 9.204 -10.251 -9.733 231 HB2 PRO 33 1HB PRO 33 10.887 -11.597 -11.383 232 HB3 PRO 33 2HB PRO 33 9.542 -10.616 -11.976 233 HG2 PRO 33 1HG PRO 33 12.449 -9.927 -11.784 234 HG3 PRO 33 2HG PRO 33 11.308 -9.606 -13.103 235 HD2 PRO 33 1HD PRO 33 12.018 -7.716 -11.299 236 HD3 PRO 33 2HD PRO 33 10.408 -7.766 -12.045 237 H MET 34 H MET 34 9.714 -12.089 -8.564 238 HA MET 34 HA MET 34 10.803 -13.395 -7.054 239 HB2 MET 34 1HB MET 34 13.306 -12.337 -8.378 240 HB3 MET 34 2HB MET 34 13.206 -13.750 -7.337 241 HG2 MET 34 1HG MET 34 11.498 -14.610 -9.077 242 HG3 MET 34 2HG MET 34 12.207 -13.385 -10.127 243 HE1 MET 34 1HE MET 34 14.447 -15.903 -7.521 244 HE2 MET 34 2HE MET 34 12.727 -16.192 -7.781 245 HE3 MET 34 3HE MET 34 13.924 -17.240 -8.545 246 H SER 35 H SER 35 9.945 -10.977 -6.110 247 HA SER 35 HA SER 35 12.028 -10.334 -4.138 248 HB2 SER 35 1HB SER 35 10.206 -8.324 -5.484 249 HB3 SER 35 2HB SER 35 11.357 -7.967 -4.197 250 HG SER 35 HG SER 35 12.295 -9.243 -6.501 251 H SER 36 H SER 36 11.035 -9.106 -2.232 252 HA SER 36 HA SER 36 8.490 -10.413 -1.538 253 HB2 SER 36 1HB SER 36 9.188 -10.310 0.782 254 HB3 SER 36 2HB SER 36 10.476 -11.051 -0.168 255 HG SER 36 HG SER 36 10.588 -8.875 1.368 256 H VAL 37 H VAL 37 6.793 -9.111 -1.566 257 HA VAL 37 HA VAL 37 7.181 -6.264 -0.913 258 HB VAL 37 HB VAL 37 6.384 -6.473 -3.159 259 HG11 VAL 37 1HG1 VAL 37 5.519 -8.776 -2.954 260 HG12 VAL 37 2HG1 VAL 37 4.113 -8.147 -2.094 261 HG13 VAL 37 3HG1 VAL 37 4.394 -7.695 -3.776 262 HG21 VAL 37 1HG2 VAL 37 4.022 -5.782 -1.416 263 HG22 VAL 37 2HG2 VAL 37 5.381 -4.704 -1.738 264 HG23 VAL 37 3HG2 VAL 37 4.330 -5.217 -3.058 265 H LYS 38 H LYS 38 6.417 -5.644 0.987 266 HA LYS 38 HA LYS 38 4.018 -6.975 2.053 267 HB2 LYS 38 1HB LYS 38 6.533 -6.231 3.552 268 HB3 LYS 38 2HB LYS 38 5.023 -6.664 4.342 269 HG2 LYS 38 1HG LYS 38 5.155 -8.839 3.011 270 HG3 LYS 38 2HG LYS 38 6.831 -8.389 2.687 271 HD2 LYS 38 1HD LYS 38 7.474 -8.692 4.860 272 HD3 LYS 38 2HD LYS 38 5.881 -8.287 5.502 273 HE2 LYS 38 1HE LYS 38 5.889 -10.536 5.889 274 HE3 LYS 38 2HE LYS 38 5.206 -10.520 4.264 275 HZ1 LYS 38 1HZ LYS 38 8.075 -10.945 4.906 276 HZ2 LYS 38 2HZ LYS 38 7.382 -10.991 3.363 277 HZ3 LYS 38 3HZ LYS 38 6.974 -12.168 4.509 278 H TRP 39 H TRP 39 2.831 -5.673 3.640 279 HA TRP 39 HA TRP 39 3.285 -2.783 3.347 280 HB2 TRP 39 1HB TRP 39 0.747 -4.322 2.864 281 HB3 TRP 39 2HB TRP 39 0.701 -2.625 3.334 282 HD1 TRP 39 HD TRP 39 1.457 -4.893 0.392 283 HE1 TRP 39 1HE TRP 39 1.835 -3.454 -1.708 284 HE3 TRP 39 3HE TRP 39 1.598 -0.279 2.587 285 HZ2 TRP 39 2HZ TRP 39 2.152 -0.723 -2.348 286 HZ3 TRP 39 3HZ TRP 39 1.943 1.696 1.160 287 HH2 TRP 39 HH TRP 39 2.215 1.476 -1.256 288 H LEU 40 H LEU 40 3.907 -2.263 5.363 289 HA LEU 40 HA LEU 40 2.744 -3.497 7.688 290 HB2 LEU 40 1HB LEU 40 5.150 -2.604 7.353 291 HB3 LEU 40 2HB LEU 40 4.448 -1.035 7.741 292 HG LEU 40 HG LEU 40 4.135 -3.375 9.594 293 HD11 LEU 40 1HD1 LEU 40 6.384 -3.405 9.731 294 HD12 LEU 40 2HD1 LEU 40 6.130 -1.979 10.737 295 HD13 LEU 40 3HD1 LEU 40 6.559 -1.794 9.036 296 HD21 LEU 40 1HD2 LEU 40 2.880 -1.838 10.612 297 HD22 LEU 40 2HD2 LEU 40 3.493 -0.537 9.591 298 HD23 LEU 40 3HD2 LEU 40 4.396 -1.036 11.022 299 H LEU 41 H LEU 41 0.998 -2.844 8.752 300 HA LEU 41 HA LEU 41 -0.368 -0.433 7.935 301 HB2 LEU 41 1HB LEU 41 -1.081 -2.489 10.022 302 HB3 LEU 41 2HB LEU 41 -2.130 -1.184 9.472 303 HG LEU 41 HG LEU 41 -2.727 -3.372 8.510 304 HD11 LEU 41 1HD1 LEU 41 -3.516 -2.219 6.791 305 HD12 LEU 41 2HD1 LEU 41 -1.920 -2.184 6.041 306 HD13 LEU 41 3HD1 LEU 41 -2.390 -0.916 7.173 307 HD21 LEU 41 1HD2 LEU 41 -0.156 -3.220 6.960 308 HD22 LEU 41 2HD2 LEU 41 -1.316 -4.547 7.033 309 HD23 LEU 41 3HD2 LEU 41 -0.320 -4.167 8.438 310 HA PRO 42 HA PRO 42 0.982 2.245 11.143 311 HB2 PRO 42 1HB PRO 42 -1.239 3.762 11.513 312 HB3 PRO 42 2HB PRO 42 -0.205 3.905 10.087 313 HG2 PRO 42 1HG PRO 42 -2.795 2.440 10.410 314 HG3 PRO 42 2HG PRO 42 -2.246 3.457 9.066 315 HD2 PRO 42 1HD PRO 42 -2.160 0.752 8.976 316 HD3 PRO 42 2HD PRO 42 -0.965 1.773 8.150 317 H ASN 43 H ASN 43 -1.141 -0.211 11.680 318 HA ASN 43 HA ASN 43 -1.745 0.560 14.443 319 HB2 ASN 43 1HB ASN 43 -3.001 -1.789 14.213 320 HB3 ASN 43 2HB ASN 43 -3.723 -0.280 13.663 321 HD21 ASN 43 1HD2 ASN 43 -2.262 -3.272 12.720 322 HD22 ASN 43 2HD2 ASN 43 -2.662 -3.178 11.042 323 H GLY 44 H GLY 44 0.661 -0.949 12.794 324 HA2 GLY 44 1HA GLY 44 2.534 -1.827 14.036 325 HA3 GLY 44 2HA GLY 44 1.392 -2.533 15.170 326 H THR 45 H THR 45 -0.259 -3.336 12.716 327 HA THR 45 HA THR 45 0.965 -5.941 12.437 328 HB THR 45 HB THR 45 -1.492 -5.077 10.942 329 HG1 THR 45 1HG THR 45 -1.687 -6.124 13.549 330 HG21 THR 45 1HG2 THR 45 -1.993 -7.543 11.872 331 HG22 THR 45 2HG2 THR 45 -0.231 -7.610 11.812 332 HG23 THR 45 3HG2 THR 45 -1.150 -7.244 10.352 333 H VAL 46 H VAL 46 0.783 -6.936 10.128 334 HA VAL 46 HA VAL 46 1.360 -5.132 7.956 335 HB VAL 46 HB VAL 46 3.552 -5.199 9.027 336 HG11 VAL 46 1HG1 VAL 46 3.837 -8.109 8.453 337 HG12 VAL 46 2HG1 VAL 46 4.683 -7.102 9.630 338 HG13 VAL 46 3HG1 VAL 46 3.019 -7.607 9.932 339 HG21 VAL 46 1HG2 VAL 46 3.559 -4.995 6.645 340 HG22 VAL 46 2HG2 VAL 46 4.861 -6.097 7.094 341 HG23 VAL 46 3HG2 VAL 46 3.352 -6.735 6.441 342 H LEU 47 H LEU 47 0.494 -5.992 6.192 343 HA LEU 47 HA LEU 47 -0.051 -8.868 6.142 344 HB2 LEU 47 1HB LEU 47 -1.094 -6.678 4.352 345 HB3 LEU 47 2HB LEU 47 -1.621 -8.360 4.354 346 HG LEU 47 HG LEU 47 -1.913 -6.681 6.817 347 HD11 LEU 47 1HD1 LEU 47 -3.024 -5.266 5.363 348 HD12 LEU 47 2HD1 LEU 47 -4.312 -6.338 5.912 349 HD13 LEU 47 3HD1 LEU 47 -3.571 -6.587 4.330 350 HD21 LEU 47 1HD2 LEU 47 -2.700 -9.312 5.910 351 HD22 LEU 47 2HD2 LEU 47 -4.090 -8.366 6.444 352 HD23 LEU 47 3HD2 LEU 47 -2.727 -8.624 7.534 353 H SER 48 H SER 48 -0.152 -9.636 3.666 354 HA SER 48 HA SER 48 1.867 -8.651 1.933 355 HB2 SER 48 1HB SER 48 3.383 -9.616 3.581 356 HB3 SER 48 2HB SER 48 2.526 -11.155 3.503 357 HG SER 48 HG SER 48 3.732 -11.642 1.867 358 H HIS 49 H HIS 49 2.429 -10.538 0.266 359 HA HIS 49 HA HIS 49 0.209 -11.081 -1.216 360 HB2 HIS 49 1HB HIS 49 2.886 -12.387 -1.025 361 HB3 HIS 49 2HB HIS 49 1.644 -13.169 -1.998 362 HD1 HIS 49 1HD HIS 49 0.390 -10.511 -3.139 363 HD2 HIS 49 2HD HIS 49 4.432 -11.471 -3.108 364 HE1 HIS 49 1HE HIS 49 1.419 -9.147 -4.984 365 HE2 HIS 49 2HE HIS 49 3.849 -9.808 -5.002 366 H ALA 50 H ALA 50 1.596 -13.111 1.328 367 HA ALA 50 HA ALA 50 -0.040 -15.352 1.016 368 HB1 ALA 50 1HB ALA 50 0.754 -16.073 3.070 369 HB2 ALA 50 2HB ALA 50 2.028 -14.981 2.527 370 HB3 ALA 50 3HB ALA 50 0.851 -14.437 3.722 371 H SER 51 H SER 51 -0.428 -12.723 3.403 372 HA SER 51 HA SER 51 -2.739 -13.323 4.604 373 HB2 SER 51 1HB SER 51 -2.012 -10.614 3.468 374 HB3 SER 51 2HB SER 51 -3.285 -10.884 4.657 375 HG SER 51 HG SER 51 -1.567 -11.872 5.967 376 H ARG 52 H ARG 52 -4.984 -12.918 4.267 377 HA ARG 52 HA ARG 52 -5.753 -12.869 1.422 378 HB2 ARG 52 1HB ARG 52 -6.052 -15.053 2.778 379 HB3 ARG 52 2HB ARG 52 -7.384 -14.212 3.559 380 HG2 ARG 52 1HG ARG 52 -8.692 -14.255 1.697 381 HG3 ARG 52 2HG ARG 52 -7.314 -14.241 0.594 382 HD2 ARG 52 1HD ARG 52 -8.073 -16.592 2.320 383 HD3 ARG 52 2HD ARG 52 -8.590 -16.392 0.646 384 HE ARG 52 HE ARG 52 -5.803 -16.160 0.748 385 HH11 ARG 52 2HH1 ARG 52 -8.288 -18.554 1.212 386 HH12 ARG 52 1HH1 ARG 52 -7.280 -19.882 0.739 387 HH21 ARG 52 2HH2 ARG 52 -4.465 -17.900 0.124 388 HH22 ARG 52 1HH2 ARG 52 -5.105 -19.508 0.122 389 H HIS 53 H HIS 53 -5.545 -10.757 3.625 390 HA HIS 53 HA HIS 53 -7.875 -9.816 4.610 391 HB2 HIS 53 1HB HIS 53 -5.481 -8.742 4.507 392 HB3 HIS 53 2HB HIS 53 -6.146 -7.870 3.129 393 HD1 HIS 53 1HD HIS 53 -8.476 -6.532 3.730 394 HD2 HIS 53 2HD HIS 53 -5.974 -7.551 6.886 395 HE1 HIS 53 1HE HIS 53 -9.166 -5.049 5.640 396 HE2 HIS 53 2HE HIS 53 -7.582 -5.623 7.512 397 HA PRO 54 HA PRO 54 -10.613 -9.334 1.172 398 HB2 PRO 54 1HB PRO 54 -12.529 -7.897 2.451 399 HB3 PRO 54 2HB PRO 54 -12.310 -9.634 2.691 400 HG2 PRO 54 1HG PRO 54 -11.371 -7.354 4.388 401 HG3 PRO 54 2HG PRO 54 -12.102 -8.892 4.885 402 HD2 PRO 54 1HD PRO 54 -9.434 -8.443 4.995 403 HD3 PRO 54 2HD PRO 54 -10.120 -10.048 4.668 404 H ARG 55 H ARG 55 -10.200 -6.442 3.228 405 HA ARG 55 HA ARG 55 -10.688 -4.643 1.059 406 HB2 ARG 55 1HB ARG 55 -9.622 -4.218 3.852 407 HB3 ARG 55 2HB ARG 55 -9.904 -2.907 2.714 408 HG2 ARG 55 1HG ARG 55 -12.305 -3.972 2.589 409 HG3 ARG 55 2HG ARG 55 -11.854 -4.608 4.172 410 HD2 ARG 55 1HD ARG 55 -11.365 -1.728 3.634 411 HD3 ARG 55 2HD ARG 55 -13.031 -2.249 3.884 412 HE ARG 55 HE ARG 55 -12.547 -2.676 6.100 413 HH11 ARG 55 2HH1 ARG 55 -9.624 -1.977 4.343 414 HH12 ARG 55 1HH1 ARG 55 -8.651 -1.818 5.767 415 HH21 ARG 55 2HH2 ARG 55 -11.276 -2.470 7.983 416 HH22 ARG 55 1HH2 ARG 55 -9.592 -2.099 7.837 417 H ILE 56 H ILE 56 -7.784 -4.997 3.102 418 HA ILE 56 HA ILE 56 -6.095 -3.704 1.222 419 HB ILE 56 HB ILE 56 -5.317 -5.495 3.526 420 HG12 ILE 56 1HG1 ILE 56 -5.177 -2.516 3.637 421 HG13 ILE 56 2HG1 ILE 56 -6.751 -3.280 3.832 422 HG21 ILE 56 1HG2 ILE 56 -3.613 -3.314 2.405 423 HG22 ILE 56 2HG2 ILE 56 -3.144 -4.749 3.314 424 HG23 ILE 56 3HG2 ILE 56 -3.640 -4.896 1.628 425 HD11 ILE 56 1HD1 ILE 56 -5.786 -2.891 5.987 426 HD12 ILE 56 2HD1 ILE 56 -5.809 -4.628 5.680 427 HD13 ILE 56 3HD1 ILE 56 -4.303 -3.724 5.521 428 H SER 57 H SER 57 -6.079 -4.675 -0.760 429 HA SER 57 HA SER 57 -5.303 -7.508 -0.886 430 HB2 SER 57 1HB SER 57 -7.398 -6.607 -2.093 431 HB3 SER 57 2HB SER 57 -6.265 -5.872 -3.226 432 HG SER 57 HG SER 57 -6.836 -8.572 -2.768 433 H VAL 58 H VAL 58 -3.284 -8.001 -1.401 434 HA VAL 58 HA VAL 58 -1.512 -5.918 -2.411 435 HB VAL 58 HB VAL 58 -0.842 -8.723 -1.508 436 HG11 VAL 58 1HG1 VAL 58 0.743 -6.480 -2.591 437 HG12 VAL 58 2HG1 VAL 58 1.427 -7.321 -1.198 438 HG13 VAL 58 3HG1 VAL 58 1.033 -8.217 -2.665 439 HG21 VAL 58 1HG2 VAL 58 -1.606 -6.459 0.009 440 HG22 VAL 58 2HG2 VAL 58 -1.003 -8.011 0.590 441 HG23 VAL 58 3HG2 VAL 58 0.125 -6.699 0.250 442 H LEU 59 H LEU 59 -2.038 -5.743 -4.577 443 HA LEU 59 HA LEU 59 -2.480 -7.832 -6.364 444 HB2 LEU 59 1HB LEU 59 -1.343 -5.081 -6.816 445 HB3 LEU 59 2HB LEU 59 -1.786 -6.182 -8.119 446 HG LEU 59 HG LEU 59 -4.130 -6.151 -7.222 447 HD11 LEU 59 1HD1 LEU 59 -4.617 -4.073 -5.820 448 HD12 LEU 59 2HD1 LEU 59 -2.898 -4.085 -5.428 449 HD13 LEU 59 3HD1 LEU 59 -3.910 -5.464 -4.998 450 HD21 LEU 59 1HD2 LEU 59 -3.760 -3.344 -7.793 451 HD22 LEU 59 2HD2 LEU 59 -4.534 -4.598 -8.762 452 HD23 LEU 59 3HD2 LEU 59 -2.790 -4.352 -8.867 453 H ASN 60 H ASN 60 -1.186 -9.034 -7.704 454 HA ASN 60 HA ASN 60 1.180 -10.034 -6.934 455 HB2 ASN 60 1HB ASN 60 1.661 -10.187 -9.545 456 HB3 ASN 60 2HB ASN 60 0.389 -11.138 -8.784 457 HD21 ASN 60 1HD2 ASN 60 -1.717 -10.726 -9.258 458 HD22 ASN 60 2HD2 ASN 60 -2.222 -9.597 -10.465 459 H ASP 61 H ASP 61 0.988 -7.391 -9.325 460 HA ASP 61 HA ASP 61 3.620 -6.792 -9.636 461 HB2 ASP 61 1HB ASP 61 1.501 -4.668 -9.282 462 HB3 ASP 61 2HB ASP 61 2.977 -4.557 -10.236 463 H GLY 62 H GLY 62 1.559 -5.856 -6.923 464 HA2 GLY 62 1HA GLY 62 2.802 -5.863 -4.746 465 HA3 GLY 62 2HA GLY 62 3.971 -4.832 -5.557 466 H THR 63 H THR 63 0.500 -4.573 -5.990 467 HA THR 63 HA THR 63 0.629 -1.887 -4.805 468 HB THR 63 HB THR 63 -1.318 -3.083 -6.782 469 HG1 THR 63 1HG THR 63 -0.430 -1.144 -7.959 470 HG21 THR 63 1HG2 THR 63 -2.627 -1.669 -5.387 471 HG22 THR 63 2HG2 THR 63 -2.262 -0.741 -6.842 472 HG23 THR 63 3HG2 THR 63 -1.372 -0.431 -5.351 473 H LEU 64 H LEU 64 -1.070 -1.152 -3.441 474 HA LEU 64 HA LEU 64 -2.427 -3.337 -2.008 475 HB2 LEU 64 1HB LEU 64 -0.679 -1.683 -0.925 476 HB3 LEU 64 2HB LEU 64 -2.089 -0.631 -0.815 477 HG LEU 64 HG LEU 64 -3.243 -2.340 0.521 478 HD11 LEU 64 1HD1 LEU 64 -1.522 -4.105 1.471 479 HD12 LEU 64 2HD1 LEU 64 -0.785 -3.880 -0.115 480 HD13 LEU 64 3HD1 LEU 64 -2.460 -4.418 0.010 481 HD21 LEU 64 1HD2 LEU 64 -1.489 -0.548 1.387 482 HD22 LEU 64 2HD2 LEU 64 -0.639 -2.004 1.903 483 HD23 LEU 64 3HD2 LEU 64 -2.277 -1.689 2.476 484 H ASN 65 H ASN 65 -4.447 -3.493 -2.766 485 HA ASN 65 HA ASN 65 -5.940 -1.066 -3.416 486 HB2 ASN 65 1HB ASN 65 -6.005 -2.835 -5.081 487 HB3 ASN 65 2HB ASN 65 -6.579 -3.987 -3.879 488 HD21 ASN 65 1HD2 ASN 65 -7.420 -1.495 -6.064 489 HD22 ASN 65 2HD2 ASN 65 -9.126 -1.521 -5.790 490 H PHE 66 H PHE 66 -8.143 -0.808 -2.647 491 HA PHE 66 HA PHE 66 -8.782 -2.233 -0.172 492 HB2 PHE 66 1HB PHE 66 -8.635 0.777 -0.430 493 HB3 PHE 66 2HB PHE 66 -9.351 -0.071 0.937 494 HD1 PHE 66 1HD PHE 66 -6.168 0.060 -0.999 495 HD2 PHE 66 2HD PHE 66 -8.046 -0.474 2.783 496 HE1 PHE 66 1HE PHE 66 -3.958 -0.058 0.078 497 HE2 PHE 66 2HE PHE 66 -5.840 -0.593 3.866 498 HZ PHE 66 HZ PHE 66 -3.792 -0.384 2.513 499 H SER 67 H SER 67 -10.642 -3.169 -0.766 500 HA SER 67 HA SER 67 -12.454 -2.361 -2.664 501 HB2 SER 67 1HB SER 67 -14.155 -3.663 -1.184 502 HB3 SER 67 2HB SER 67 -12.776 -4.531 -1.858 503 HG SER 67 HG SER 67 -12.840 -3.399 0.743 504 H HIS 68 H HIS 68 -12.370 -1.492 0.764 505 HA HIS 68 HA HIS 68 -13.812 0.940 0.229 506 HB2 HIS 68 1HB HIS 68 -15.642 0.497 1.819 507 HB3 HIS 68 2HB HIS 68 -15.687 -0.611 0.451 508 HD1 HIS 68 1HD HIS 68 -14.696 -3.072 0.965 509 HD2 HIS 68 2HD HIS 68 -15.598 -0.709 4.261 510 HE1 HIS 68 1HE HIS 68 -14.823 -4.657 2.913 511 HE2 HIS 68 2HE HIS 68 -15.454 -3.216 4.881 512 H VAL 69 H VAL 69 -12.486 2.307 1.233 513 HA VAL 69 HA VAL 69 -11.109 1.556 3.666 514 HB VAL 69 HB VAL 69 -10.040 3.763 3.510 515 HG11 VAL 69 1HG1 VAL 69 -9.270 1.731 2.196 516 HG12 VAL 69 2HG1 VAL 69 -10.012 2.491 0.786 517 HG13 VAL 69 3HG1 VAL 69 -8.693 3.300 1.634 518 HG21 VAL 69 1HG2 VAL 69 -12.313 4.436 2.033 519 HG22 VAL 69 2HG2 VAL 69 -10.914 5.457 2.364 520 HG23 VAL 69 3HG2 VAL 69 -10.975 4.496 0.886 521 H LEU 70 H LEU 70 -11.478 2.331 5.692 522 HA LEU 70 HA LEU 70 -13.926 3.923 6.051 523 HB2 LEU 70 1HB LEU 70 -12.630 2.312 8.215 524 HB3 LEU 70 2HB LEU 70 -14.304 2.844 8.080 525 HG LEU 70 HG LEU 70 -14.348 0.518 7.751 526 HD11 LEU 70 1HD1 LEU 70 -14.264 1.122 4.882 527 HD12 LEU 70 2HD1 LEU 70 -15.260 2.215 5.842 528 HD13 LEU 70 3HD1 LEU 70 -15.573 0.479 5.873 529 HD21 LEU 70 1HD2 LEU 70 -12.302 0.625 5.570 530 HD22 LEU 70 2HD2 LEU 70 -12.830 -0.748 6.542 531 HD23 LEU 70 3HD2 LEU 70 -11.806 0.498 7.257 532 H LEU 71 H LEU 71 -13.890 5.172 8.211 533 HA LEU 71 HA LEU 71 -11.877 7.135 8.048 534 HB2 LEU 71 1HB LEU 71 -13.670 6.608 10.407 535 HB3 LEU 71 2HB LEU 71 -12.892 8.128 9.973 536 HG LEU 71 HG LEU 71 -15.035 6.800 8.320 537 HD11 LEU 71 1HD1 LEU 71 -16.140 7.366 10.300 538 HD12 LEU 71 2HD1 LEU 71 -16.417 8.744 9.236 539 HD13 LEU 71 3HD1 LEU 71 -15.201 8.844 10.509 540 HD21 LEU 71 1HD2 LEU 71 -13.476 9.331 8.135 541 HD22 LEU 71 2HD2 LEU 71 -15.149 9.317 7.579 542 HD23 LEU 71 3HD2 LEU 71 -13.972 8.215 6.863 543 H SER 72 H SER 72 -12.215 4.250 9.992 544 HA SER 72 HA SER 72 -10.155 4.882 11.858 545 HB2 SER 72 1HB SER 72 -11.646 2.380 11.128 546 HB3 SER 72 2HB SER 72 -10.241 2.294 12.189 547 HG SER 72 HG SER 72 -12.617 2.771 12.969 548 H ASP 73 H ASP 73 -10.253 3.359 8.718 549 HA ASP 73 HA ASP 73 -7.713 2.134 8.773 550 HB2 ASP 73 1HB ASP 73 -9.574 3.012 6.592 551 HB3 ASP 73 2HB ASP 73 -7.948 2.469 6.187 552 H THR 74 H THR 74 -8.676 5.411 8.499 553 HA THR 74 HA THR 74 -6.658 6.558 6.991 554 HB THR 74 HB THR 74 -8.013 7.674 9.453 555 HG1 THR 74 1HG THR 74 -9.616 7.917 8.105 556 HG21 THR 74 1HG2 THR 74 -5.742 8.670 8.250 557 HG22 THR 74 2HG2 THR 74 -6.886 9.597 9.220 558 HG23 THR 74 3HG2 THR 74 -7.038 9.570 7.463 559 H GLY 75 H GLY 75 -4.522 6.631 7.208 560 HA2 GLY 75 1HA GLY 75 -3.128 7.284 9.527 561 HA3 GLY 75 2HA GLY 75 -3.182 5.529 9.448 562 H VAL 76 H VAL 76 -0.919 5.433 9.211 563 HA VAL 76 HA VAL 76 0.066 6.331 6.580 564 HB VAL 76 HB VAL 76 1.472 6.110 9.226 565 HG11 VAL 76 1HG1 VAL 76 3.592 6.544 7.958 566 HG12 VAL 76 2HG1 VAL 76 2.924 4.923 7.755 567 HG13 VAL 76 3HG1 VAL 76 2.719 6.129 6.484 568 HG21 VAL 76 1HG2 VAL 76 1.435 8.291 7.144 569 HG22 VAL 76 2HG2 VAL 76 0.397 8.242 8.569 570 HG23 VAL 76 3HG2 VAL 76 2.145 8.380 8.756 571 H TYR 77 H TYR 77 0.714 4.816 5.193 572 HA TYR 77 HA TYR 77 1.068 2.074 6.207 573 HB2 TYR 77 1HB TYR 77 0.129 3.039 3.500 574 HB3 TYR 77 2HB TYR 77 0.465 1.356 3.887 575 HD1 TYR 77 2HD TYR 77 -1.626 4.236 5.002 576 HD2 TYR 77 1HD TYR 77 -1.239 0.008 4.714 577 HE1 TYR 77 2HE TYR 77 -3.926 3.975 5.831 578 HE2 TYR 77 1HE TYR 77 -3.539 -0.264 5.541 579 HH TYR 77 HH TYR 77 -5.379 2.426 6.775 580 H THR 78 H THR 78 2.981 1.119 5.950 581 HA THR 78 HA THR 78 4.951 2.419 4.186 582 HB THR 78 HB THR 78 5.558 0.735 6.621 583 HG1 THR 78 1HG THR 78 6.040 3.485 6.600 584 HG21 THR 78 1HG2 THR 78 7.319 0.822 4.886 585 HG22 THR 78 2HG2 THR 78 7.809 1.608 6.387 586 HG23 THR 78 3HG2 THR 78 7.316 2.581 5.002 587 H CYS 79 H CYS 79 5.619 1.282 2.494 588 HA CYS 79 HA CYS 79 4.990 -1.569 2.366 589 HB2 CYS 79 1HB CYS 79 4.254 -0.188 0.490 590 HB3 CYS 79 2HB CYS 79 5.905 0.355 0.219 591 HG CYS 79 HG CYS 79 6.592 -2.555 -0.127 592 H MET 80 H MET 80 6.489 -3.146 2.317 593 HA MET 80 HA MET 80 9.299 -2.319 2.561 594 HB2 MET 80 1HB MET 80 8.140 -4.996 3.325 595 HB3 MET 80 2HB MET 80 9.702 -4.329 3.783 596 HG2 MET 80 1HG MET 80 8.419 -2.521 5.000 597 HG3 MET 80 2HG MET 80 6.981 -3.505 4.740 598 HE1 MET 80 1HE MET 80 6.730 -3.822 7.797 599 HE2 MET 80 2HE MET 80 6.083 -4.577 6.341 600 HE3 MET 80 3HE MET 80 6.782 -5.576 7.616 601 H VAL 81 H VAL 81 10.855 -3.130 1.230 602 HA VAL 81 HA VAL 81 10.091 -5.161 -0.741 603 HB VAL 81 HB VAL 81 11.448 -2.564 -1.477 604 HG11 VAL 81 1HG1 VAL 81 11.832 -4.925 -2.689 605 HG12 VAL 81 2HG1 VAL 81 10.375 -4.395 -3.532 606 HG13 VAL 81 3HG1 VAL 81 11.822 -3.386 -3.551 607 HG21 VAL 81 1HG2 VAL 81 9.419 -1.697 -1.720 608 HG22 VAL 81 2HG2 VAL 81 9.048 -2.942 -2.913 609 HG23 VAL 81 3HG2 VAL 81 8.680 -3.215 -1.210 610 H THR 82 H THR 82 11.479 -6.759 -0.362 611 HA THR 82 HA THR 82 14.329 -6.078 -0.036 612 HB THR 82 HB THR 82 12.735 -8.238 1.341 613 HG1 THR 82 1HG THR 82 14.395 -6.113 2.274 614 HG21 THR 82 1HG2 THR 82 14.799 -9.136 2.214 615 HG22 THR 82 2HG2 THR 82 15.738 -7.916 1.354 616 HG23 THR 82 3HG2 THR 82 14.867 -9.157 0.453 617 H ASN 83 H ASN 83 15.741 -7.077 -1.353 618 HA ASN 83 HA ASN 83 14.876 -9.447 -2.841 619 HB2 ASN 83 1HB ASN 83 14.435 -7.437 -4.249 620 HB3 ASN 83 2HB ASN 83 16.149 -7.041 -4.161 621 HD21 ASN 83 1HD2 ASN 83 14.088 -9.833 -4.909 622 HD22 ASN 83 2HD2 ASN 83 14.987 -10.338 -6.296 623 H VAL 84 H VAL 84 16.787 -10.360 -4.128 624 HA VAL 84 HA VAL 84 18.881 -10.937 -2.331 625 HB VAL 84 HB VAL 84 18.206 -12.513 -4.073 626 HG11 VAL 84 1HG1 VAL 84 17.728 -11.629 -6.072 627 HG12 VAL 84 2HG1 VAL 84 18.767 -10.228 -5.802 628 HG13 VAL 84 3HG1 VAL 84 19.460 -11.743 -6.384 629 HG21 VAL 84 1HG2 VAL 84 20.836 -11.855 -3.337 630 HG22 VAL 84 2HG2 VAL 84 20.235 -13.407 -3.920 631 HG23 VAL 84 3HG2 VAL 84 20.881 -12.227 -5.061 632 H ALA 85 H ALA 85 18.470 -8.462 -4.710 633 HA ALA 85 HA ALA 85 21.284 -7.821 -4.883 634 HB1 ALA 85 1HB ALA 85 19.949 -5.676 -5.952 635 HB2 ALA 85 2HB ALA 85 20.495 -7.097 -6.844 636 HB3 ALA 85 3HB ALA 85 18.838 -7.014 -6.248 637 H GLY 86 H GLY 86 18.375 -6.175 -3.624 638 HA2 GLY 86 1HA GLY 86 19.897 -5.115 -1.407 639 HA3 GLY 86 2HA GLY 86 19.396 -3.902 -2.576 640 H ASN 87 H ASN 87 18.297 -3.083 -0.580 641 HA ASN 87 HA ASN 87 15.570 -4.150 -0.511 642 HB2 ASN 87 1HB ASN 87 15.442 -4.099 1.876 643 HB3 ASN 87 2HB ASN 87 16.888 -5.014 1.460 644 HD21 ASN 87 1HD2 ASN 87 16.600 -3.979 3.954 645 HD22 ASN 87 2HD2 ASN 87 17.714 -2.679 4.188 646 H SER 88 H SER 88 13.993 -2.610 0.338 647 HA SER 88 HA SER 88 14.669 0.102 0.827 648 HB2 SER 88 1HB SER 88 15.010 -0.267 -1.740 649 HB3 SER 88 2HB SER 88 13.248 -0.225 -1.798 650 HG SER 88 HG SER 88 13.744 1.812 -0.393 651 H ASN 89 H ASN 89 12.814 1.424 1.245 652 HA ASN 89 HA ASN 89 10.212 0.109 1.207 653 HB2 ASN 89 1HB ASN 89 9.920 0.901 3.658 654 HB3 ASN 89 2HB ASN 89 10.817 -0.584 3.357 655 HD21 ASN 89 1HD2 ASN 89 11.717 -0.200 5.471 656 HD22 ASN 89 2HD2 ASN 89 13.057 0.877 5.643 657 H ALA 90 H ALA 90 8.440 1.551 1.465 658 HA ALA 90 HA ALA 90 9.121 4.409 1.329 659 HB1 ALA 90 1HB ALA 90 8.746 3.678 -0.945 660 HB2 ALA 90 2HB ALA 90 7.200 2.961 -0.489 661 HB3 ALA 90 3HB ALA 90 7.414 4.710 -0.423 662 H SER 91 H SER 91 7.118 5.796 1.609 663 HA SER 91 HA SER 91 5.198 4.526 3.442 664 HB2 SER 91 1HB SER 91 6.647 7.150 3.854 665 HB3 SER 91 2HB SER 91 5.272 6.619 4.823 666 HG SER 91 HG SER 91 7.431 4.871 4.541 667 H ALA 92 H ALA 92 3.173 5.689 3.676 668 HA ALA 92 HA ALA 92 2.518 7.851 1.928 669 HB1 ALA 92 1HB ALA 92 1.932 6.754 0.093 670 HB2 ALA 92 2HB ALA 92 2.329 5.214 0.856 671 HB3 ALA 92 3HB ALA 92 0.707 5.886 1.020 672 H TYR 93 H TYR 93 0.761 8.903 2.665 673 HA TYR 93 HA TYR 93 -0.652 7.719 4.932 674 HB2 TYR 93 1HB TYR 93 0.351 9.979 5.165 675 HB3 TYR 93 2HB TYR 93 -0.723 10.562 3.899 676 HD1 TYR 93 2HD TYR 93 -3.181 10.636 4.308 677 HD2 TYR 93 1HD TYR 93 -0.411 9.715 7.403 678 HE1 TYR 93 2HE TYR 93 -4.908 11.120 5.990 679 HE2 TYR 93 1HE TYR 93 -2.131 10.195 9.094 680 HH TYR 93 HH TYR 93 -4.681 10.202 9.174 681 H LEU 94 H LEU 94 -2.877 7.519 5.038 682 HA LEU 94 HA LEU 94 -4.340 7.946 2.518 683 HB2 LEU 94 1HB LEU 94 -3.944 5.598 2.712 684 HB3 LEU 94 2HB LEU 94 -4.464 5.596 4.396 685 HG LEU 94 HG LEU 94 -6.756 6.342 3.415 686 HD11 LEU 94 1HD1 LEU 94 -7.184 6.032 1.210 687 HD12 LEU 94 2HD1 LEU 94 -5.976 4.759 1.037 688 HD13 LEU 94 3HD1 LEU 94 -5.475 6.449 1.086 689 HD21 LEU 94 1HD2 LEU 94 -7.388 3.982 3.121 690 HD22 LEU 94 2HD2 LEU 94 -6.393 4.236 4.555 691 HD23 LEU 94 3HD2 LEU 94 -5.680 3.542 3.097 692 H ASN 95 H ASN 95 -5.793 9.490 2.835 693 HA ASN 95 HA ASN 95 -6.958 9.870 5.486 694 HB2 ASN 95 1HB ASN 95 -6.002 11.792 4.138 695 HB3 ASN 95 2HB ASN 95 -7.366 11.595 3.041 696 HD21 ASN 95 1HD2 ASN 95 -9.524 11.767 3.996 697 HD22 ASN 95 2HD2 ASN 95 -9.762 12.871 5.303 698 H VAL 96 H VAL 96 -8.915 9.150 5.990 699 HA VAL 96 HA VAL 96 -10.776 8.493 3.798 700 HB VAL 96 HB VAL 96 -10.622 7.105 6.476 701 HG11 VAL 96 1HG1 VAL 96 -12.777 6.741 5.796 702 HG12 VAL 96 2HG1 VAL 96 -12.374 6.856 4.082 703 HG13 VAL 96 3HG1 VAL 96 -11.968 5.399 4.990 704 HG21 VAL 96 1HG2 VAL 96 -8.622 6.664 5.121 705 HG22 VAL 96 2HG2 VAL 96 -9.628 5.226 5.297 706 HG23 VAL 96 3HG2 VAL 96 -9.651 6.139 3.788 707 H SER 97 H SER 97 -12.284 10.032 3.756 708 HA SER 97 HA SER 97 -13.384 10.986 6.317 709 HB2 SER 97 1HB SER 97 -13.474 12.385 3.634 710 HB3 SER 97 2HB SER 97 -14.004 13.041 5.183 711 HG SER 97 HG SER 97 -11.576 13.117 4.111 712 H SER 98 H SER 98 -15.563 10.944 6.667 713 HA SER 98 HA SER 98 -17.133 8.987 5.583 714 HB2 SER 98 1HB SER 98 -19.097 10.304 6.448 715 HB3 SER 98 2HB SER 98 -17.801 10.072 7.621 716 HG SER 98 HG SER 98 -18.531 12.397 6.212 717 H GLY 99 H GLY 99 -18.668 8.823 3.969 718 HA2 GLY 99 1HA GLY 99 -19.184 11.110 2.244 719 HA3 GLY 99 2HA GLY 99 -18.298 9.783 1.508 720 HA PRO 100 HA PRO 100 -23.026 9.154 1.471 721 HB2 PRO 100 1HB PRO 100 -23.507 9.807 -1.120 722 HB3 PRO 100 2HB PRO 100 -23.596 10.981 0.199 723 HG2 PRO 100 1HG PRO 100 -21.376 10.482 -1.747 724 HG3 PRO 100 2HG PRO 100 -22.031 12.025 -1.168 725 HD2 PRO 100 1HD PRO 100 -19.743 10.956 -0.193 726 HD3 PRO 100 2HD PRO 100 -20.839 11.936 0.802 727 H SER 101 H SER 101 -23.308 7.024 1.331 728 HA SER 101 HA SER 101 -21.801 5.468 -0.613 729 HB2 SER 101 1HB SER 101 -23.344 4.850 1.867 730 HB3 SER 101 2HB SER 101 -23.158 3.573 0.664 731 HG SER 101 HG SER 101 -21.424 3.424 2.026 732 H SER 102 H SER 102 -22.615 4.690 -2.448 733 HA SER 102 HA SER 102 -25.517 4.930 -2.881 734 HB2 SER 102 1HB SER 102 -24.993 5.085 -5.285 735 HB3 SER 102 2HB SER 102 -24.179 6.351 -4.367 736 HG SER 102 HG SER 102 -22.556 5.578 -5.531 737 H GLY 103 H GLY 103 -22.699 2.901 -3.653 738 HA2 GLY 103 1HA GLY 103 -22.571 0.693 -4.311 739 HA3 GLY 103 2HA GLY 103 -23.727 0.462 -3.007 Start of MODEL 4 1 H1 GLY 1 H GLY 1 24.991 4.829 5.495 2 HA2 GLY 1 1HA GLY 1 24.614 5.634 2.695 3 HA3 GLY 1 2HA GLY 1 25.999 4.633 3.104 4 H SER 2 H SER 2 22.512 4.755 2.856 5 HA SER 2 HA SER 2 22.485 1.814 2.797 6 HB2 SER 2 1HB SER 2 20.489 3.625 4.171 7 HB3 SER 2 2HB SER 2 20.221 1.907 3.880 8 HG SER 2 HG SER 2 21.667 1.407 5.374 9 H SER 3 H SER 3 20.722 0.888 1.564 10 HA SER 3 HA SER 3 20.340 2.209 -0.913 11 HB2 SER 3 1HB SER 3 19.211 -0.316 0.283 12 HB3 SER 3 2HB SER 3 18.701 0.260 -1.304 13 HG SER 3 HG SER 3 20.585 -0.273 -2.116 14 H GLY 4 H GLY 4 18.953 3.782 -1.350 15 HA2 GLY 4 1HA GLY 4 16.203 3.673 -0.866 16 HA3 GLY 4 2HA GLY 4 16.925 4.624 0.424 17 H SER 5 H SER 5 18.842 6.066 -0.802 18 HA SER 5 HA SER 5 17.262 7.773 -2.588 19 HB2 SER 5 1HB SER 5 18.307 8.672 -0.435 20 HB3 SER 5 2HB SER 5 19.864 8.515 -1.250 21 HG SER 5 HG SER 5 18.827 9.831 -2.963 22 H SER 6 H SER 6 20.525 6.403 -2.266 23 HA SER 6 HA SER 6 21.626 7.304 -4.637 24 HB2 SER 6 1HB SER 6 22.081 4.657 -3.240 25 HB3 SER 6 2HB SER 6 23.120 5.318 -4.503 26 HG SER 6 HG SER 6 24.035 5.946 -2.615 27 H GLY 7 H GLY 7 20.119 4.104 -4.126 28 HA2 GLY 7 1HA GLY 7 18.664 4.191 -6.561 29 HA3 GLY 7 2HA GLY 7 20.142 3.265 -6.774 30 HA PRO 8 HA PRO 8 17.359 0.967 -3.516 31 HB2 PRO 8 1HB PRO 8 14.732 1.651 -3.577 32 HB3 PRO 8 2HB PRO 8 15.904 2.433 -2.510 33 HG2 PRO 8 1HG PRO 8 14.818 3.365 -5.139 34 HG3 PRO 8 2HG PRO 8 15.092 4.289 -3.651 35 HD2 PRO 8 1HD PRO 8 16.806 4.361 -5.746 36 HD3 PRO 8 2HD PRO 8 17.347 4.527 -4.063 37 H PHE 9 H PHE 9 14.986 -0.258 -3.895 38 HA PHE 9 HA PHE 9 15.093 -1.186 -6.690 39 HB2 PHE 9 1HB PHE 9 14.708 -2.753 -4.142 40 HB3 PHE 9 2HB PHE 9 14.298 -3.408 -5.724 41 HD1 PHE 9 2HD PHE 9 17.143 -1.761 -3.963 42 HD2 PHE 9 1HD PHE 9 15.886 -4.631 -6.843 43 HE1 PHE 9 2HE PHE 9 19.478 -2.474 -4.266 44 HE2 PHE 9 1HE PHE 9 18.219 -5.350 -7.150 45 HZ PHE 9 HZ PHE 9 20.019 -4.270 -5.861 46 H ILE 10 H ILE 10 13.433 0.905 -5.984 47 HA ILE 10 HA ILE 10 10.787 -0.363 -6.207 48 HB ILE 10 HB ILE 10 11.406 2.149 -4.648 49 HG12 ILE 10 1HG1 ILE 10 10.328 -0.477 -3.619 50 HG13 ILE 10 2HG1 ILE 10 12.041 -0.072 -3.600 51 HG21 ILE 10 1HG2 ILE 10 9.045 1.395 -5.946 52 HG22 ILE 10 2HG2 ILE 10 8.782 1.051 -4.237 53 HG23 ILE 10 3HG2 ILE 10 9.250 2.673 -4.747 54 HD11 ILE 10 1HD1 ILE 10 11.588 1.831 -2.162 55 HD12 ILE 10 2HD1 ILE 10 9.863 1.463 -2.204 56 HD13 ILE 10 3HD1 ILE 10 10.987 0.336 -1.445 57 H MET 11 H MET 11 10.931 -0.113 -8.477 58 HA MET 11 HA MET 11 11.611 2.011 -9.998 59 HB2 MET 11 1HB MET 11 9.149 0.293 -10.351 60 HB3 MET 11 2HB MET 11 9.835 1.327 -11.597 61 HG2 MET 11 1HG MET 11 11.811 0.016 -11.713 62 HG3 MET 11 2HG MET 11 11.360 -0.898 -10.275 63 HE1 MET 11 1HE MET 11 8.139 -2.584 -11.370 64 HE2 MET 11 2HE MET 11 9.563 -3.433 -10.771 65 HE3 MET 11 3HE MET 11 9.105 -1.879 -10.074 66 H ASP 12 H ASP 12 8.288 1.558 -8.774 67 HA ASP 12 HA ASP 12 7.996 4.491 -8.792 68 HB2 ASP 12 1HB ASP 12 6.189 2.342 -9.778 69 HB3 ASP 12 2HB ASP 12 5.440 3.732 -8.998 70 H ALA 13 H ALA 13 7.586 5.382 -6.884 71 HA ALA 13 HA ALA 13 6.815 3.634 -4.658 72 HB1 ALA 13 1HB ALA 13 8.888 5.028 -4.494 73 HB2 ALA 13 2HB ALA 13 7.853 6.456 -4.493 74 HB3 ALA 13 3HB ALA 13 7.726 5.275 -3.190 75 HA PRO 14 HA PRO 14 2.762 5.324 -4.416 76 HB2 PRO 14 1HB PRO 14 2.268 4.960 -1.771 77 HB3 PRO 14 2HB PRO 14 2.299 3.629 -2.935 78 HG2 PRO 14 1HG PRO 14 4.427 4.532 -1.033 79 HG3 PRO 14 2HG PRO 14 3.902 2.884 -1.425 80 HD2 PRO 14 1HD PRO 14 6.129 3.996 -2.492 81 HD3 PRO 14 2HD PRO 14 5.132 2.820 -3.373 82 H ARG 15 H ARG 15 1.520 7.057 -3.484 83 HA ARG 15 HA ARG 15 3.044 9.037 -1.952 84 HB2 ARG 15 1HB ARG 15 3.097 9.487 -4.474 85 HB3 ARG 15 2HB ARG 15 1.382 9.846 -4.330 86 HG2 ARG 15 1HG ARG 15 3.248 11.230 -2.485 87 HG3 ARG 15 2HG ARG 15 3.225 11.729 -4.178 88 HD2 ARG 15 1HD ARG 15 0.785 11.541 -2.416 89 HD3 ARG 15 2HD ARG 15 1.684 13.028 -2.718 90 HE ARG 15 HE ARG 15 -0.214 11.797 -4.448 91 HH11 ARG 15 2HH1 ARG 15 2.711 13.684 -4.403 92 HH12 ARG 15 1HH1 ARG 15 2.421 14.411 -5.948 93 HH21 ARG 15 2HH2 ARG 15 -0.607 12.747 -6.484 94 HH22 ARG 15 1HH2 ARG 15 0.533 13.878 -7.131 95 H ASP 16 H ASP 16 1.817 10.362 -0.628 96 HA ASP 16 HA ASP 16 -0.318 9.475 0.698 97 HB2 ASP 16 1HB ASP 16 -0.709 11.638 1.495 98 HB3 ASP 16 2HB ASP 16 0.970 11.706 0.964 99 H LEU 17 H LEU 17 -2.357 8.933 0.297 100 HA LEU 17 HA LEU 17 -3.614 9.960 -2.161 101 HB2 LEU 17 1HB LEU 17 -3.328 7.638 -2.412 102 HB3 LEU 17 2HB LEU 17 -3.839 7.317 -0.756 103 HG LEU 17 HG LEU 17 -6.139 8.197 -1.532 104 HD11 LEU 17 1HD1 LEU 17 -6.594 8.433 -3.735 105 HD12 LEU 17 2HD1 LEU 17 -5.411 7.222 -4.225 106 HD13 LEU 17 3HD1 LEU 17 -4.882 8.849 -3.798 107 HD21 LEU 17 1HD2 LEU 17 -5.448 5.623 -2.857 108 HD22 LEU 17 2HD2 LEU 17 -6.824 6.034 -1.833 109 HD23 LEU 17 3HD2 LEU 17 -5.238 5.761 -1.111 110 H ASN 18 H ASN 18 -5.801 10.547 -2.110 111 HA ASN 18 HA ASN 18 -6.956 10.866 0.581 112 HB2 ASN 18 1HB ASN 18 -7.821 13.044 -0.049 113 HB3 ASN 18 2HB ASN 18 -6.078 13.017 -0.302 114 HD21 ASN 18 1HD2 ASN 18 -5.259 13.144 -2.359 115 HD22 ASN 18 2HD2 ASN 18 -6.231 13.534 -3.734 116 H ILE 19 H ILE 19 -8.612 9.489 0.663 117 HA ILE 19 HA ILE 19 -10.589 9.584 -1.509 118 HB ILE 19 HB ILE 19 -9.227 7.528 -1.754 119 HG12 ILE 19 1HG1 ILE 19 -11.990 6.775 -0.820 120 HG13 ILE 19 2HG1 ILE 19 -11.739 7.728 -2.279 121 HG21 ILE 19 1HG2 ILE 19 -9.102 5.864 -0.125 122 HG22 ILE 19 2HG2 ILE 19 -8.883 7.359 0.783 123 HG23 ILE 19 3HG2 ILE 19 -10.444 6.538 0.801 124 HD11 ILE 19 1HD1 ILE 19 -11.879 5.595 -3.113 125 HD12 ILE 19 2HD1 ILE 19 -10.135 5.793 -2.936 126 HD13 ILE 19 3HD1 ILE 19 -11.046 4.884 -1.731 127 H SER 20 H SER 20 -12.719 8.670 -0.830 128 HA SER 20 HA SER 20 -13.359 9.656 1.832 129 HB2 SER 20 1HB SER 20 -14.690 10.244 -0.265 130 HB3 SER 20 2HB SER 20 -15.310 8.594 -0.214 131 HG SER 20 HG SER 20 -16.568 9.132 1.383 132 H GLU 21 H GLU 21 -15.019 8.398 3.106 133 HA GLU 21 HA GLU 21 -13.992 5.762 3.578 134 HB2 GLU 21 1HB GLU 21 -14.596 6.898 5.534 135 HB3 GLU 21 2HB GLU 21 -16.116 7.458 4.852 136 HG2 GLU 21 1HG GLU 21 -17.008 5.196 4.948 137 HG3 GLU 21 2HG GLU 21 -15.479 4.613 5.602 138 H GLY 22 H GLY 22 -14.675 3.925 2.701 139 HA2 GLY 22 1HA GLY 22 -16.311 2.346 2.065 140 HA3 GLY 22 2HA GLY 22 -17.477 3.652 1.910 141 H ARG 23 H ARG 23 -14.278 3.761 0.491 142 HA ARG 23 HA ARG 23 -15.461 3.310 -2.164 143 HB2 ARG 23 1HB ARG 23 -13.558 5.528 -1.388 144 HB3 ARG 23 2HB ARG 23 -14.016 5.139 -3.041 145 HG2 ARG 23 1HG ARG 23 -16.449 5.464 -2.073 146 HG3 ARG 23 2HG ARG 23 -15.586 6.453 -0.894 147 HD2 ARG 23 1HD ARG 23 -14.610 7.769 -2.702 148 HD3 ARG 23 2HD ARG 23 -15.441 6.766 -3.891 149 HE ARG 23 HE ARG 23 -16.536 8.956 -2.459 150 HH11 ARG 23 2HH1 ARG 23 -17.332 5.817 -3.736 151 HH12 ARG 23 1HH1 ARG 23 -19.016 6.178 -3.928 152 HH21 ARG 23 2HH2 ARG 23 -18.750 9.443 -2.707 153 HH22 ARG 23 1HH2 ARG 23 -19.821 8.241 -3.343 154 H MET 24 H MET 24 -13.718 2.983 -3.857 155 HA MET 24 HA MET 24 -11.836 1.028 -2.826 156 HB2 MET 24 1HB MET 24 -13.357 0.905 -4.984 157 HB3 MET 24 2HB MET 24 -11.997 1.739 -5.722 158 HG2 MET 24 1HG MET 24 -10.523 -0.046 -5.245 159 HG3 MET 24 2HG MET 24 -11.696 -0.819 -4.182 160 HE1 MET 24 1HE MET 24 -11.359 -2.840 -4.971 161 HE2 MET 24 2HE MET 24 -12.586 -3.508 -6.047 162 HE3 MET 24 3HE MET 24 -10.952 -3.219 -6.645 163 H ALA 25 H ALA 25 -9.713 1.337 -2.583 164 HA ALA 25 HA ALA 25 -8.463 3.652 -3.899 165 HB1 ALA 25 1HB ALA 25 -8.646 3.065 -1.013 166 HB2 ALA 25 2HB ALA 25 -7.073 3.607 -1.602 167 HB3 ALA 25 3HB ALA 25 -8.502 4.609 -1.853 168 H GLU 26 H GLU 26 -6.083 3.509 -3.978 169 HA GLU 26 HA GLU 26 -4.944 0.855 -3.645 170 HB2 GLU 26 1HB GLU 26 -4.988 2.229 -6.338 171 HB3 GLU 26 2HB GLU 26 -4.137 0.738 -5.959 172 HG2 GLU 26 1HG GLU 26 -6.242 -0.383 -5.524 173 HG3 GLU 26 2HG GLU 26 -7.120 1.115 -5.825 174 H LEU 27 H LEU 27 -2.631 0.826 -3.789 175 HA LEU 27 HA LEU 27 -1.433 3.496 -3.449 176 HB2 LEU 27 1HB LEU 27 -0.968 0.896 -2.058 177 HB3 LEU 27 2HB LEU 27 0.346 2.064 -2.177 178 HG LEU 27 HG LEU 27 -2.275 2.977 -1.093 179 HD11 LEU 27 1HD1 LEU 27 -1.277 2.305 1.195 180 HD12 LEU 27 2HD1 LEU 27 -0.371 1.112 0.265 181 HD13 LEU 27 3HD1 LEU 27 -2.134 1.092 0.244 182 HD21 LEU 27 1HD2 LEU 27 -0.582 4.633 -1.398 183 HD22 LEU 27 2HD2 LEU 27 0.622 3.633 -0.585 184 HD23 LEU 27 3HD2 LEU 27 -0.721 4.318 0.332 185 H LYS 28 H LYS 28 -0.220 4.055 -5.122 186 HA LYS 28 HA LYS 28 0.652 2.331 -7.145 187 HB2 LYS 28 1HB LYS 28 1.866 4.996 -6.397 188 HB3 LYS 28 2HB LYS 28 1.969 4.199 -7.960 189 HG2 LYS 28 1HG LYS 28 -0.718 4.834 -6.851 190 HG3 LYS 28 2HG LYS 28 0.257 6.135 -7.536 191 HD2 LYS 28 1HD LYS 28 -1.026 5.372 -9.336 192 HD3 LYS 28 2HD LYS 28 0.541 4.594 -9.566 193 HE2 LYS 28 1HE LYS 28 -0.254 2.516 -8.940 194 HE3 LYS 28 2HE LYS 28 -1.598 3.192 -8.022 195 HZ1 LYS 28 1HZ LYS 28 -1.559 2.321 -10.699 196 HZ2 LYS 28 2HZ LYS 28 -1.939 3.969 -10.668 197 HZ3 LYS 28 3HZ LYS 28 -2.873 2.869 -9.786 198 H CYS 29 H CYS 29 2.059 0.724 -6.929 199 HA CYS 29 HA CYS 29 4.681 1.256 -5.820 200 HB2 CYS 29 1HB CYS 29 3.728 0.556 -3.789 201 HB3 CYS 29 2HB CYS 29 2.741 -0.673 -4.572 202 HG CYS 29 HG CYS 29 4.465 -2.618 -4.516 203 H ARG 30 H ARG 30 6.172 0.300 -7.039 204 HA ARG 30 HA ARG 30 5.407 -2.091 -8.577 205 HB2 ARG 30 1HB ARG 30 6.718 0.433 -9.495 206 HB3 ARG 30 2HB ARG 30 7.156 -1.082 -10.272 207 HG2 ARG 30 1HG ARG 30 5.463 -0.437 -11.639 208 HG3 ARG 30 2HG ARG 30 4.532 -1.339 -10.442 209 HD2 ARG 30 1HD ARG 30 4.479 1.033 -9.256 210 HD3 ARG 30 2HD ARG 30 4.703 1.588 -10.915 211 HE ARG 30 HE ARG 30 2.325 0.491 -9.779 212 HH11 ARG 30 2HH1 ARG 30 4.151 0.795 -12.728 213 HH12 ARG 30 1HH1 ARG 30 2.768 0.621 -13.756 214 HH21 ARG 30 2HH2 ARG 30 0.496 0.261 -11.122 215 HH22 ARG 30 1HH2 ARG 30 0.689 0.318 -12.841 216 H THR 31 H THR 31 6.634 -3.777 -8.095 217 HA THR 31 HA THR 31 9.409 -3.298 -7.218 218 HB THR 31 HB THR 31 9.266 -5.201 -5.728 219 HG1 THR 31 1HG THR 31 6.866 -5.600 -7.077 220 HG21 THR 31 1HG2 THR 31 8.424 -2.904 -5.014 221 HG22 THR 31 2HG2 THR 31 7.898 -4.277 -4.038 222 HG23 THR 31 3HG2 THR 31 6.798 -3.556 -5.213 223 HA PRO 32 HA PRO 32 10.727 -5.986 -10.436 224 HB2 PRO 32 1HB PRO 32 12.996 -6.991 -9.336 225 HB3 PRO 32 2HB PRO 32 12.869 -5.329 -9.926 226 HG2 PRO 32 1HG PRO 32 12.659 -6.366 -7.125 227 HG3 PRO 32 2HG PRO 32 13.509 -4.930 -7.726 228 HD2 PRO 32 1HD PRO 32 11.083 -4.794 -6.531 229 HD3 PRO 32 2HD PRO 32 11.581 -3.671 -7.812 230 HA PRO 33 HA PRO 33 9.528 -10.156 -9.729 231 HB2 PRO 33 1HB PRO 33 11.292 -11.565 -11.237 232 HB3 PRO 33 2HB PRO 33 10.000 -10.582 -11.937 233 HG2 PRO 33 1HG PRO 33 12.898 -9.924 -11.580 234 HG3 PRO 33 2HG PRO 33 11.846 -9.623 -12.975 235 HD2 PRO 33 1HD PRO 33 12.468 -7.696 -11.178 236 HD3 PRO 33 2HD PRO 33 10.907 -7.746 -12.022 237 H MET 34 H MET 34 10.090 -12.174 -8.737 238 HA MET 34 HA MET 34 11.048 -13.431 -7.102 239 HB2 MET 34 1HB MET 34 13.669 -12.267 -8.041 240 HB3 MET 34 2HB MET 34 13.410 -13.810 -7.237 241 HG2 MET 34 1HG MET 34 11.936 -14.340 -9.308 242 HG3 MET 34 2HG MET 34 12.842 -13.027 -10.057 243 HE1 MET 34 1HE MET 34 14.014 -17.168 -10.375 244 HE2 MET 34 2HE MET 34 12.821 -16.779 -9.135 245 HE3 MET 34 3HE MET 34 12.594 -16.206 -10.788 246 H SER 35 H SER 35 10.034 -11.042 -6.204 247 HA SER 35 HA SER 35 11.873 -10.434 -3.997 248 HB2 SER 35 1HB SER 35 10.178 -8.272 -5.227 249 HB3 SER 35 2HB SER 35 11.579 -8.108 -4.168 250 HG SER 35 HG SER 35 11.988 -9.395 -6.597 251 H SER 36 H SER 36 10.831 -9.668 -2.066 252 HA SER 36 HA SER 36 8.114 -10.735 -1.809 253 HB2 SER 36 1HB SER 36 10.315 -10.194 0.176 254 HB3 SER 36 2HB SER 36 8.655 -10.479 0.698 255 HG SER 36 HG SER 36 8.734 -12.509 -0.207 256 H VAL 37 H VAL 37 6.470 -9.367 -1.828 257 HA VAL 37 HA VAL 37 6.945 -6.559 -1.103 258 HB VAL 37 HB VAL 37 4.698 -7.791 -2.703 259 HG11 VAL 37 1HG1 VAL 37 3.753 -5.672 -2.956 260 HG12 VAL 37 2HG1 VAL 37 4.180 -5.740 -1.245 261 HG13 VAL 37 3HG1 VAL 37 5.202 -4.853 -2.377 262 HG21 VAL 37 1HG2 VAL 37 7.316 -6.810 -3.407 263 HG22 VAL 37 2HG2 VAL 37 6.115 -7.623 -4.411 264 HG23 VAL 37 3HG2 VAL 37 6.055 -5.872 -4.208 265 H LYS 38 H LYS 38 5.972 -5.660 0.610 266 HA LYS 38 HA LYS 38 3.660 -6.971 1.822 267 HB2 LYS 38 1HB LYS 38 6.251 -6.396 3.260 268 HB3 LYS 38 2HB LYS 38 4.734 -6.703 4.095 269 HG2 LYS 38 1HG LYS 38 4.762 -8.865 2.564 270 HG3 LYS 38 2HG LYS 38 6.500 -8.564 2.613 271 HD2 LYS 38 1HD LYS 38 4.907 -8.537 5.144 272 HD3 LYS 38 2HD LYS 38 5.390 -10.075 4.425 273 HE2 LYS 38 1HE LYS 38 7.750 -8.992 4.339 274 HE3 LYS 38 2HE LYS 38 7.095 -7.885 5.544 275 HZ1 LYS 38 1HZ LYS 38 8.128 -10.418 5.970 276 HZ2 LYS 38 2HZ LYS 38 6.462 -10.551 6.233 277 HZ3 LYS 38 3HZ LYS 38 7.367 -9.416 7.102 278 H TRP 39 H TRP 39 2.879 -5.574 3.753 279 HA TRP 39 HA TRP 39 3.433 -2.738 3.417 280 HB2 TRP 39 1HB TRP 39 0.761 -4.002 2.830 281 HB3 TRP 39 2HB TRP 39 0.909 -2.307 3.286 282 HD1 TRP 39 HD TRP 39 1.857 -4.727 0.452 283 HE1 TRP 39 1HE TRP 39 2.309 -3.348 -1.674 284 HE3 TRP 39 3HE TRP 39 1.557 -0.031 2.451 285 HZ2 TRP 39 2HZ TRP 39 2.512 -0.629 -2.406 286 HZ3 TRP 39 3HZ TRP 39 1.893 1.905 0.970 287 HH2 TRP 39 HH TRP 39 2.361 1.610 -1.408 288 H LEU 40 H LEU 40 3.279 -1.649 5.292 289 HA LEU 40 HA LEU 40 2.301 -3.131 7.626 290 HB2 LEU 40 1HB LEU 40 4.657 -2.195 7.505 291 HB3 LEU 40 2HB LEU 40 3.923 -0.599 7.642 292 HG LEU 40 HG LEU 40 3.300 -2.642 9.721 293 HD11 LEU 40 1HD1 LEU 40 5.539 -1.066 10.533 294 HD12 LEU 40 2HD1 LEU 40 5.950 -1.956 9.067 295 HD13 LEU 40 3HD1 LEU 40 5.369 -2.821 10.490 296 HD21 LEU 40 1HD2 LEU 40 2.740 -0.841 11.003 297 HD22 LEU 40 2HD2 LEU 40 2.422 -0.167 9.404 298 HD23 LEU 40 3HD2 LEU 40 3.929 0.215 10.239 299 H LEU 41 H LEU 41 0.926 -2.159 9.152 300 HA LEU 41 HA LEU 41 -0.651 0.082 8.077 301 HB2 LEU 41 1HB LEU 41 -1.540 -1.931 10.129 302 HB3 LEU 41 2HB LEU 41 -2.538 -0.763 9.266 303 HG LEU 41 HG LEU 41 -2.983 -2.916 8.354 304 HD11 LEU 41 1HD1 LEU 41 -1.088 -1.596 6.426 305 HD12 LEU 41 2HD1 LEU 41 -2.699 -0.975 6.785 306 HD13 LEU 41 3HD1 LEU 41 -2.512 -2.570 6.056 307 HD21 LEU 41 1HD2 LEU 41 -0.716 -3.818 9.191 308 HD22 LEU 41 2HD2 LEU 41 -0.104 -3.300 7.620 309 HD23 LEU 41 3HD2 LEU 41 -1.402 -4.492 7.713 310 HA PRO 42 HA PRO 42 0.457 2.625 11.480 311 HB2 PRO 42 1HB PRO 42 -1.796 4.113 11.758 312 HB3 PRO 42 2HB PRO 42 -0.666 4.323 10.415 313 HG2 PRO 42 1HG PRO 42 -3.260 2.831 10.493 314 HG3 PRO 42 2HG PRO 42 -2.626 3.908 9.235 315 HD2 PRO 42 1HD PRO 42 -2.512 1.210 9.036 316 HD3 PRO 42 2HD PRO 42 -1.271 2.272 8.340 317 H ASN 43 H ASN 43 -1.664 0.131 11.765 318 HA ASN 43 HA ASN 43 -2.481 0.781 14.504 319 HB2 ASN 43 1HB ASN 43 -3.702 -1.544 14.122 320 HB3 ASN 43 2HB ASN 43 -4.375 -0.042 13.496 321 HD21 ASN 43 1HD2 ASN 43 -2.810 -3.029 12.716 322 HD22 ASN 43 2HD2 ASN 43 -3.044 -2.945 11.006 323 H GLY 44 H GLY 44 -0.082 -0.879 12.822 324 HA2 GLY 44 1HA GLY 44 1.788 -1.810 13.983 325 HA3 GLY 44 2HA GLY 44 0.707 -2.258 15.295 326 H THR 45 H THR 45 0.961 -2.878 11.790 327 HA THR 45 HA THR 45 1.281 -5.689 12.171 328 HB THR 45 HB THR 45 -1.344 -4.861 10.929 329 HG1 THR 45 1HG THR 45 -2.262 -5.073 12.851 330 HG21 THR 45 1HG2 THR 45 -0.747 -6.957 10.077 331 HG22 THR 45 2HG2 THR 45 -1.793 -7.346 11.444 332 HG23 THR 45 3HG2 THR 45 -0.042 -7.481 11.606 333 H VAL 46 H VAL 46 1.149 -6.867 10.021 334 HA VAL 46 HA VAL 46 1.583 -5.138 7.708 335 HB VAL 46 HB VAL 46 3.642 -7.029 8.821 336 HG11 VAL 46 1HG1 VAL 46 4.875 -6.593 6.651 337 HG12 VAL 46 2HG1 VAL 46 3.506 -7.703 6.561 338 HG13 VAL 46 3HG1 VAL 46 3.333 -6.041 5.997 339 HG21 VAL 46 1HG2 VAL 46 5.109 -5.166 8.714 340 HG22 VAL 46 2HG2 VAL 46 3.960 -4.230 7.758 341 HG23 VAL 46 3HG2 VAL 46 3.613 -4.589 9.449 342 H LEU 47 H LEU 47 1.211 -6.131 5.728 343 HA LEU 47 HA LEU 47 0.098 -8.856 5.880 344 HB2 LEU 47 1HB LEU 47 -0.738 -6.537 4.148 345 HB3 LEU 47 2HB LEU 47 -1.340 -8.182 3.960 346 HG LEU 47 HG LEU 47 -1.748 -6.423 6.378 347 HD11 LEU 47 1HD1 LEU 47 -3.142 -5.514 4.773 348 HD12 LEU 47 2HD1 LEU 47 -4.184 -6.707 5.549 349 HD13 LEU 47 3HD1 LEU 47 -3.434 -7.070 3.995 350 HD21 LEU 47 1HD2 LEU 47 -1.967 -9.262 5.999 351 HD22 LEU 47 2HD2 LEU 47 -3.551 -8.567 6.341 352 HD23 LEU 47 3HD2 LEU 47 -2.213 -8.306 7.460 353 H SER 48 H SER 48 -0.029 -9.821 3.545 354 HA SER 48 HA SER 48 2.062 -9.079 1.738 355 HB2 SER 48 1HB SER 48 3.306 -10.241 3.607 356 HB3 SER 48 2HB SER 48 2.427 -11.710 3.183 357 HG SER 48 HG SER 48 3.787 -11.991 1.620 358 H HIS 49 H HIS 49 2.373 -10.979 0.082 359 HA HIS 49 HA HIS 49 -0.032 -11.382 -1.229 360 HB2 HIS 49 1HB HIS 49 2.490 -11.721 -1.970 361 HB3 HIS 49 2HB HIS 49 2.138 -13.402 -1.582 362 HD1 HIS 49 1HD HIS 49 1.822 -10.952 -4.236 363 HD2 HIS 49 2HD HIS 49 -0.147 -14.437 -3.121 364 HE1 HIS 49 1HE HIS 49 0.533 -11.676 -6.271 365 HE2 HIS 49 2HE HIS 49 -0.717 -13.739 -5.546 366 H ALA 50 H ALA 50 1.289 -13.084 1.439 367 HA ALA 50 HA ALA 50 -0.156 -15.529 1.054 368 HB1 ALA 50 1HB ALA 50 1.373 -14.371 3.365 369 HB2 ALA 50 2HB ALA 50 0.491 -15.894 3.490 370 HB3 ALA 50 3HB ALA 50 1.806 -15.729 2.326 371 H SER 51 H SER 51 -0.523 -12.770 3.281 372 HA SER 51 HA SER 51 -2.750 -13.533 4.669 373 HB2 SER 51 1HB SER 51 -1.684 -10.892 3.796 374 HB3 SER 51 2HB SER 51 -3.319 -10.933 4.453 375 HG SER 51 HG SER 51 -0.878 -11.533 5.697 376 H ARG 52 H ARG 52 -4.940 -13.544 4.367 377 HA ARG 52 HA ARG 52 -5.842 -13.259 1.585 378 HB2 ARG 52 1HB ARG 52 -6.794 -14.927 3.893 379 HB3 ARG 52 2HB ARG 52 -7.865 -14.579 2.542 380 HG2 ARG 52 1HG ARG 52 -6.992 -16.544 1.822 381 HG3 ARG 52 2HG ARG 52 -5.789 -15.443 1.148 382 HD2 ARG 52 1HD ARG 52 -4.512 -15.782 3.333 383 HD3 ARG 52 2HD ARG 52 -5.599 -17.139 3.621 384 HE ARG 52 HE ARG 52 -4.589 -17.541 1.101 385 HH11 ARG 52 2HH1 ARG 52 -3.268 -17.164 4.300 386 HH12 ARG 52 1HH1 ARG 52 -1.883 -18.158 3.987 387 HH21 ARG 52 2HH2 ARG 52 -2.771 -18.851 0.676 388 HH22 ARG 52 1HH2 ARG 52 -1.601 -19.116 1.925 389 H HIS 53 H HIS 53 -5.510 -10.992 3.345 390 HA HIS 53 HA HIS 53 -7.884 -10.128 4.534 391 HB2 HIS 53 1HB HIS 53 -5.460 -9.102 4.515 392 HB3 HIS 53 2HB HIS 53 -6.085 -8.170 3.158 393 HD1 HIS 53 1HD HIS 53 -8.406 -6.816 3.767 394 HD2 HIS 53 2HD HIS 53 -5.975 -7.985 6.926 395 HE1 HIS 53 1HE HIS 53 -9.104 -5.389 5.716 396 HE2 HIS 53 2HE HIS 53 -7.562 -6.055 7.593 397 HA PRO 54 HA PRO 54 -10.492 -9.532 1.006 398 HB2 PRO 54 1HB PRO 54 -12.476 -8.189 2.283 399 HB3 PRO 54 2HB PRO 54 -12.244 -9.935 2.438 400 HG2 PRO 54 1HG PRO 54 -11.403 -7.740 4.292 401 HG3 PRO 54 2HG PRO 54 -12.131 -9.311 4.675 402 HD2 PRO 54 1HD PRO 54 -9.476 -8.839 4.916 403 HD3 PRO 54 2HD PRO 54 -10.127 -10.431 4.475 404 H ARG 55 H ARG 55 -10.200 -6.752 3.231 405 HA ARG 55 HA ARG 55 -10.663 -4.829 1.182 406 HB2 ARG 55 1HB ARG 55 -9.504 -4.529 3.958 407 HB3 ARG 55 2HB ARG 55 -9.934 -3.185 2.908 408 HG2 ARG 55 1HG ARG 55 -12.276 -4.280 2.863 409 HG3 ARG 55 2HG ARG 55 -11.716 -5.135 4.302 410 HD2 ARG 55 1HD ARG 55 -12.217 -2.222 3.893 411 HD3 ARG 55 2HD ARG 55 -12.714 -3.270 5.221 412 HE ARG 55 HE ARG 55 -10.193 -1.877 4.945 413 HH11 ARG 55 2HH1 ARG 55 -11.970 -4.397 6.560 414 HH12 ARG 55 1HH1 ARG 55 -10.919 -4.435 7.937 415 HH21 ARG 55 2HH2 ARG 55 -8.802 -1.917 6.752 416 HH22 ARG 55 1HH2 ARG 55 -9.118 -3.023 8.046 417 H ILE 56 H ILE 56 -7.739 -5.261 3.179 418 HA ILE 56 HA ILE 56 -6.090 -3.922 1.271 419 HB ILE 56 HB ILE 56 -5.310 -5.592 3.664 420 HG12 ILE 56 1HG1 ILE 56 -5.424 -2.584 3.376 421 HG13 ILE 56 2HG1 ILE 56 -6.700 -3.547 4.114 422 HG21 ILE 56 1HG2 ILE 56 -3.744 -4.272 1.583 423 HG22 ILE 56 2HG2 ILE 56 -3.284 -3.806 3.220 424 HG23 ILE 56 3HG2 ILE 56 -3.270 -5.506 2.751 425 HD11 ILE 56 1HD1 ILE 56 -3.889 -3.694 5.120 426 HD12 ILE 56 2HD1 ILE 56 -4.982 -2.408 5.633 427 HD13 ILE 56 3HD1 ILE 56 -5.393 -4.093 5.949 428 H SER 57 H SER 57 -6.113 -4.983 -0.679 429 HA SER 57 HA SER 57 -5.186 -7.774 -0.703 430 HB2 SER 57 1HB SER 57 -6.603 -6.159 -2.836 431 HB3 SER 57 2HB SER 57 -6.045 -7.819 -3.041 432 HG SER 57 HG SER 57 -8.352 -7.148 -2.176 433 H VAL 58 H VAL 58 -3.112 -8.082 -1.126 434 HA VAL 58 HA VAL 58 -1.508 -5.980 -2.303 435 HB VAL 58 HB VAL 58 -0.684 -8.749 -1.416 436 HG11 VAL 58 1HG1 VAL 58 1.355 -6.705 -1.348 437 HG12 VAL 58 2HG1 VAL 58 1.373 -8.288 -2.129 438 HG13 VAL 58 3HG1 VAL 58 0.694 -6.895 -2.972 439 HG21 VAL 58 1HG2 VAL 58 -1.220 -6.273 0.051 440 HG22 VAL 58 2HG2 VAL 58 -1.118 -7.936 0.630 441 HG23 VAL 58 3HG2 VAL 58 0.353 -6.991 0.398 442 H LEU 59 H LEU 59 -2.006 -5.805 -4.452 443 HA LEU 59 HA LEU 59 -2.516 -7.868 -6.243 444 HB2 LEU 59 1HB LEU 59 -1.344 -5.129 -6.647 445 HB3 LEU 59 2HB LEU 59 -1.709 -6.212 -7.988 446 HG LEU 59 HG LEU 59 -4.105 -6.235 -7.026 447 HD11 LEU 59 1HD1 LEU 59 -4.541 -3.905 -5.981 448 HD12 LEU 59 2HD1 LEU 59 -2.838 -3.977 -5.531 449 HD13 LEU 59 3HD1 LEU 59 -3.955 -5.215 -4.957 450 HD21 LEU 59 1HD2 LEU 59 -3.209 -5.095 -9.126 451 HD22 LEU 59 2HD2 LEU 59 -3.200 -3.611 -8.173 452 HD23 LEU 59 3HD2 LEU 59 -4.714 -4.474 -8.447 453 H ASN 60 H ASN 60 -1.193 -8.743 -7.957 454 HA ASN 60 HA ASN 60 1.190 -9.883 -7.064 455 HB2 ASN 60 1HB ASN 60 1.536 -10.370 -9.575 456 HB3 ASN 60 2HB ASN 60 0.102 -11.032 -8.798 457 HD21 ASN 60 1HD2 ASN 60 -1.888 -10.365 -9.432 458 HD22 ASN 60 2HD2 ASN 60 -2.163 -9.286 -10.754 459 H ASP 61 H ASP 61 0.686 -7.169 -9.305 460 HA ASP 61 HA ASP 61 3.322 -6.630 -9.950 461 HB2 ASP 61 1HB ASP 61 1.637 -5.458 -11.134 462 HB3 ASP 61 2HB ASP 61 0.934 -4.815 -9.652 463 H GLY 62 H GLY 62 1.544 -5.876 -7.031 464 HA2 GLY 62 1HA GLY 62 2.991 -5.747 -5.013 465 HA3 GLY 62 2HA GLY 62 3.998 -4.643 -5.937 466 H THR 63 H THR 63 0.593 -4.392 -6.351 467 HA THR 63 HA THR 63 0.643 -1.809 -4.977 468 HB THR 63 HB THR 63 -1.256 -2.998 -6.994 469 HG1 THR 63 1HG THR 63 -0.526 -1.228 -8.219 470 HG21 THR 63 1HG2 THR 63 -2.423 -0.757 -6.849 471 HG22 THR 63 2HG2 THR 63 -1.567 -0.508 -5.327 472 HG23 THR 63 3HG2 THR 63 -2.696 -1.852 -5.494 473 H LEU 64 H LEU 64 -1.067 -1.181 -3.556 474 HA LEU 64 HA LEU 64 -2.300 -3.467 -2.168 475 HB2 LEU 64 1HB LEU 64 -0.566 -1.902 -1.026 476 HB3 LEU 64 2HB LEU 64 -1.919 -0.777 -0.917 477 HG LEU 64 HG LEU 64 -3.175 -2.526 0.349 478 HD11 LEU 64 1HD1 LEU 64 -2.253 -4.572 -0.148 479 HD12 LEU 64 2HD1 LEU 64 -1.528 -4.239 1.424 480 HD13 LEU 64 3HD1 LEU 64 -0.597 -3.974 -0.049 481 HD21 LEU 64 1HD2 LEU 64 -1.911 -0.664 1.420 482 HD22 LEU 64 2HD2 LEU 64 -0.544 -1.763 1.609 483 HD23 LEU 64 3HD2 LEU 64 -2.069 -2.102 2.430 484 H ASN 65 H ASN 65 -4.317 -3.635 -2.962 485 HA ASN 65 HA ASN 65 -5.896 -1.246 -3.476 486 HB2 ASN 65 1HB ASN 65 -6.082 -2.923 -5.163 487 HB3 ASN 65 2HB ASN 65 -6.385 -4.183 -3.971 488 HD21 ASN 65 1HD2 ASN 65 -7.770 -2.041 -6.119 489 HD22 ASN 65 2HD2 ASN 65 -9.407 -2.144 -5.577 490 H PHE 66 H PHE 66 -7.969 -0.893 -2.545 491 HA PHE 66 HA PHE 66 -8.482 -2.342 -0.040 492 HB2 PHE 66 1HB PHE 66 -8.456 0.657 -0.420 493 HB3 PHE 66 2HB PHE 66 -9.136 -0.146 0.992 494 HD1 PHE 66 1HD PHE 66 -5.976 -0.102 -0.992 495 HD2 PHE 66 2HD PHE 66 -7.801 -0.356 2.844 496 HE1 PHE 66 1HE PHE 66 -3.752 -0.118 0.061 497 HE2 PHE 66 2HE PHE 66 -5.581 -0.372 3.904 498 HZ PHE 66 HZ PHE 66 -3.553 -0.252 2.512 499 H SER 67 H SER 67 -10.329 -3.376 -0.468 500 HA SER 67 HA SER 67 -12.257 -2.817 -2.316 501 HB2 SER 67 1HB SER 67 -12.284 -4.900 -1.092 502 HB3 SER 67 2HB SER 67 -12.610 -4.056 0.422 503 HG SER 67 HG SER 67 -14.384 -5.044 -1.161 504 H HIS 68 H HIS 68 -12.352 -1.812 1.103 505 HA HIS 68 HA HIS 68 -13.723 0.631 0.356 506 HB2 HIS 68 1HB HIS 68 -15.589 0.275 1.920 507 HB3 HIS 68 2HB HIS 68 -15.587 -0.929 0.635 508 HD1 HIS 68 1HD HIS 68 -14.582 -3.335 1.351 509 HD2 HIS 68 2HD HIS 68 -15.602 -0.753 4.442 510 HE1 HIS 68 1HE HIS 68 -14.746 -4.776 3.405 511 HE2 HIS 68 2HE HIS 68 -15.447 -3.206 5.246 512 H VAL 69 H VAL 69 -12.343 2.021 1.270 513 HA VAL 69 HA VAL 69 -10.894 1.488 3.658 514 HB VAL 69 HB VAL 69 -10.164 3.822 3.533 515 HG11 VAL 69 1HG1 VAL 69 -8.914 2.336 2.188 516 HG12 VAL 69 2HG1 VAL 69 -10.178 2.266 0.959 517 HG13 VAL 69 3HG1 VAL 69 -9.240 3.743 1.178 518 HG21 VAL 69 1HG2 VAL 69 -11.371 5.420 2.569 519 HG22 VAL 69 2HG2 VAL 69 -11.396 4.547 1.037 520 HG23 VAL 69 3HG2 VAL 69 -12.625 4.219 2.259 521 H LEU 70 H LEU 70 -11.064 2.552 5.686 522 HA LEU 70 HA LEU 70 -13.694 3.736 6.260 523 HB2 LEU 70 1HB LEU 70 -12.320 1.963 8.238 524 HB3 LEU 70 2HB LEU 70 -14.015 2.440 8.163 525 HG LEU 70 HG LEU 70 -12.918 0.733 5.981 526 HD11 LEU 70 1HD1 LEU 70 -12.356 -0.941 7.317 527 HD12 LEU 70 2HD1 LEU 70 -14.007 -0.979 7.934 528 HD13 LEU 70 3HD1 LEU 70 -12.788 0.008 8.740 529 HD21 LEU 70 1HD2 LEU 70 -15.108 1.210 5.540 530 HD22 LEU 70 2HD2 LEU 70 -15.542 1.333 7.246 531 HD23 LEU 70 3HD2 LEU 70 -15.309 -0.252 6.506 532 H LEU 71 H LEU 71 -13.715 4.916 8.374 533 HA LEU 71 HA LEU 71 -11.712 6.868 8.434 534 HB2 LEU 71 1HB LEU 71 -13.619 6.108 10.642 535 HB3 LEU 71 2HB LEU 71 -12.742 7.631 10.503 536 HG LEU 71 HG LEU 71 -14.863 6.672 8.582 537 HD11 LEU 71 1HD1 LEU 71 -16.041 7.159 10.524 538 HD12 LEU 71 2HD1 LEU 71 -16.084 8.680 9.633 539 HD13 LEU 71 3HD1 LEU 71 -14.955 8.475 10.972 540 HD21 LEU 71 1HD2 LEU 71 -12.900 8.808 8.502 541 HD22 LEU 71 2HD2 LEU 71 -14.552 9.411 8.361 542 HD23 LEU 71 3HD2 LEU 71 -13.957 8.194 7.230 543 H SER 72 H SER 72 -11.830 3.741 9.832 544 HA SER 72 HA SER 72 -9.846 4.294 11.867 545 HB2 SER 72 1HB SER 72 -11.451 1.920 11.036 546 HB3 SER 72 2HB SER 72 -9.946 1.635 11.909 547 HG SER 72 HG SER 72 -12.035 1.980 13.130 548 H ASP 73 H ASP 73 -9.856 3.565 8.567 549 HA ASP 73 HA ASP 73 -7.304 2.191 8.553 550 HB2 ASP 73 1HB ASP 73 -9.175 3.118 6.376 551 HB3 ASP 73 2HB ASP 73 -7.588 2.439 6.025 552 H THR 74 H THR 74 -8.379 5.385 8.651 553 HA THR 74 HA THR 74 -6.504 6.718 7.048 554 HB THR 74 HB THR 74 -7.840 7.662 9.592 555 HG1 THR 74 1HG THR 74 -9.509 7.882 8.324 556 HG21 THR 74 1HG2 THR 74 -7.049 9.660 7.609 557 HG22 THR 74 2HG2 THR 74 -5.684 8.834 8.362 558 HG23 THR 74 3HG2 THR 74 -6.869 9.673 9.363 559 H GLY 75 H GLY 75 -4.396 7.149 7.277 560 HA2 GLY 75 1HA GLY 75 -2.955 7.746 9.510 561 HA3 GLY 75 2HA GLY 75 -2.957 5.988 9.483 562 H VAL 76 H VAL 76 -0.865 5.575 8.995 563 HA VAL 76 HA VAL 76 0.091 6.565 6.391 564 HB VAL 76 HB VAL 76 1.676 6.292 8.944 565 HG11 VAL 76 1HG1 VAL 76 3.269 7.330 6.846 566 HG12 VAL 76 2HG1 VAL 76 3.496 5.836 7.759 567 HG13 VAL 76 3HG1 VAL 76 2.545 5.828 6.273 568 HG21 VAL 76 1HG2 VAL 76 1.522 8.676 7.128 569 HG22 VAL 76 2HG2 VAL 76 0.317 8.397 8.386 570 HG23 VAL 76 3HG2 VAL 76 2.014 8.602 8.820 571 H TYR 77 H TYR 77 0.784 5.042 5.023 572 HA TYR 77 HA TYR 77 1.077 2.303 6.061 573 HB2 TYR 77 1HB TYR 77 0.252 3.288 3.326 574 HB3 TYR 77 2HB TYR 77 0.571 1.599 3.705 575 HD1 TYR 77 2HD TYR 77 -1.532 4.466 4.841 576 HD2 TYR 77 1HD TYR 77 -1.183 0.250 4.392 577 HE1 TYR 77 2HE TYR 77 -3.861 4.200 5.585 578 HE2 TYR 77 1HE TYR 77 -3.511 -0.028 5.134 579 HH TYR 77 HH TYR 77 -5.303 2.512 6.554 580 H THR 78 H THR 78 2.935 1.223 5.768 581 HA THR 78 HA THR 78 5.023 2.521 4.139 582 HB THR 78 HB THR 78 5.440 0.819 6.604 583 HG1 THR 78 1HG THR 78 4.584 3.184 6.652 584 HG21 THR 78 1HG2 THR 78 7.759 1.453 6.435 585 HG22 THR 78 2HG2 THR 78 7.417 2.491 5.051 586 HG23 THR 78 3HG2 THR 78 7.257 0.741 4.903 587 H CYS 79 H CYS 79 5.557 1.407 2.390 588 HA CYS 79 HA CYS 79 4.904 -1.424 2.213 589 HB2 CYS 79 1HB CYS 79 4.294 0.053 0.347 590 HB3 CYS 79 2HB CYS 79 5.986 0.479 0.125 591 HG CYS 79 HG CYS 79 6.365 -2.544 -0.167 592 H MET 80 H MET 80 6.347 -3.050 2.208 593 HA MET 80 HA MET 80 9.178 -2.326 2.532 594 HB2 MET 80 1HB MET 80 7.815 -4.907 3.310 595 HB3 MET 80 2HB MET 80 9.461 -4.428 3.702 596 HG2 MET 80 1HG MET 80 8.440 -2.472 4.948 597 HG3 MET 80 2HG MET 80 6.895 -3.299 4.765 598 HE1 MET 80 1HE MET 80 6.367 -3.306 7.005 599 HE2 MET 80 2HE MET 80 6.118 -5.049 6.907 600 HE3 MET 80 3HE MET 80 7.013 -4.360 8.262 601 H VAL 81 H VAL 81 10.760 -3.296 1.308 602 HA VAL 81 HA VAL 81 9.931 -5.229 -0.735 603 HB VAL 81 HB VAL 81 11.528 -2.735 -1.337 604 HG11 VAL 81 1HG1 VAL 81 11.949 -5.045 -2.546 605 HG12 VAL 81 2HG1 VAL 81 10.506 -4.568 -3.444 606 HG13 VAL 81 3HG1 VAL 81 11.930 -3.526 -3.443 607 HG21 VAL 81 1HG2 VAL 81 9.602 -1.732 -1.795 608 HG22 VAL 81 2HG2 VAL 81 9.195 -3.008 -2.942 609 HG23 VAL 81 3HG2 VAL 81 8.728 -3.163 -1.249 610 H THR 82 H THR 82 11.160 -6.950 -0.368 611 HA THR 82 HA THR 82 14.009 -6.531 0.263 612 HB THR 82 HB THR 82 12.439 -8.991 1.019 613 HG1 THR 82 1HG THR 82 12.944 -6.650 2.568 614 HG21 THR 82 1HG2 THR 82 14.289 -9.646 2.200 615 HG22 THR 82 2HG2 THR 82 14.835 -7.991 2.474 616 HG23 THR 82 3HG2 THR 82 15.074 -8.750 0.901 617 H ASN 83 H ASN 83 15.501 -7.517 -0.983 618 HA ASN 83 HA ASN 83 14.675 -9.647 -2.805 619 HB2 ASN 83 1HB ASN 83 14.515 -7.330 -3.917 620 HB3 ASN 83 2HB ASN 83 16.275 -7.323 -3.858 621 HD21 ASN 83 1HD2 ASN 83 13.528 -9.260 -4.951 622 HD22 ASN 83 2HD2 ASN 83 14.317 -9.909 -6.345 623 H VAL 84 H VAL 84 16.692 -10.453 -4.053 624 HA VAL 84 HA VAL 84 18.659 -11.153 -2.085 625 HB VAL 84 HB VAL 84 17.998 -12.845 -3.658 626 HG11 VAL 84 1HG1 VAL 84 18.901 -12.412 -6.112 627 HG12 VAL 84 2HG1 VAL 84 17.288 -11.903 -5.609 628 HG13 VAL 84 3HG1 VAL 84 18.608 -10.734 -5.655 629 HG21 VAL 84 1HG2 VAL 84 20.052 -13.741 -3.893 630 HG22 VAL 84 2HG2 VAL 84 20.683 -12.336 -4.754 631 HG23 VAL 84 3HG2 VAL 84 20.564 -12.312 -2.995 632 H ALA 85 H ALA 85 18.344 -8.673 -4.396 633 HA ALA 85 HA ALA 85 21.225 -8.215 -4.575 634 HB1 ALA 85 1HB ALA 85 20.514 -6.348 -6.123 635 HB2 ALA 85 2HB ALA 85 20.140 -7.986 -6.661 636 HB3 ALA 85 3HB ALA 85 18.871 -6.972 -5.975 637 H GLY 86 H GLY 86 18.274 -6.533 -3.515 638 HA2 GLY 86 1HA GLY 86 19.743 -5.210 -1.413 639 HA3 GLY 86 2HA GLY 86 19.218 -4.126 -2.693 640 H ASN 87 H ASN 87 18.231 -3.415 -0.420 641 HA ASN 87 HA ASN 87 15.452 -4.369 -0.472 642 HB2 ASN 87 1HB ASN 87 16.971 -3.703 2.058 643 HB3 ASN 87 2HB ASN 87 15.319 -4.302 1.945 644 HD21 ASN 87 1HD2 ASN 87 16.989 -5.633 3.534 645 HD22 ASN 87 2HD2 ASN 87 17.448 -7.144 2.833 646 H SER 88 H SER 88 13.889 -2.823 0.315 647 HA SER 88 HA SER 88 14.618 -0.141 0.927 648 HB2 SER 88 1HB SER 88 15.023 -0.409 -1.625 649 HB3 SER 88 2HB SER 88 13.264 -0.397 -1.746 650 HG SER 88 HG SER 88 14.512 1.606 -0.245 651 H ASN 89 H ASN 89 12.660 1.305 0.972 652 HA ASN 89 HA ASN 89 10.087 -0.008 0.988 653 HB2 ASN 89 1HB ASN 89 9.708 0.781 3.417 654 HB3 ASN 89 2HB ASN 89 10.638 -0.693 3.164 655 HD21 ASN 89 1HD2 ASN 89 11.380 -0.204 5.352 656 HD22 ASN 89 2HD2 ASN 89 12.722 0.865 5.553 657 H ALA 90 H ALA 90 8.317 1.500 1.411 658 HA ALA 90 HA ALA 90 9.056 4.330 1.165 659 HB1 ALA 90 1HB ALA 90 8.470 4.333 -0.980 660 HB2 ALA 90 2HB ALA 90 7.813 2.699 -0.876 661 HB3 ALA 90 3HB ALA 90 6.809 4.082 -0.440 662 H SER 91 H SER 91 7.167 5.785 1.533 663 HA SER 91 HA SER 91 5.187 4.570 3.341 664 HB2 SER 91 1HB SER 91 6.914 6.992 3.788 665 HB3 SER 91 2HB SER 91 5.364 6.824 4.612 666 HG SER 91 HG SER 91 7.603 5.092 4.759 667 H ALA 92 H ALA 92 3.295 6.049 3.731 668 HA ALA 92 HA ALA 92 2.713 8.156 1.931 669 HB1 ALA 92 1HB ALA 92 2.462 6.685 0.166 670 HB2 ALA 92 2HB ALA 92 1.793 5.411 1.187 671 HB3 ALA 92 3HB ALA 92 0.812 6.818 0.777 672 H TYR 93 H TYR 93 0.699 9.133 2.344 673 HA TYR 93 HA TYR 93 -0.588 8.178 4.811 674 HB2 TYR 93 1HB TYR 93 0.519 10.463 4.776 675 HB3 TYR 93 2HB TYR 93 -0.751 10.966 3.665 676 HD1 TYR 93 2HD TYR 93 -3.048 11.223 4.434 677 HD2 TYR 93 1HD TYR 93 0.040 10.055 7.118 678 HE1 TYR 93 2HE TYR 93 -4.516 11.739 6.339 679 HE2 TYR 93 1HE TYR 93 -1.420 10.567 9.030 680 HH TYR 93 HH TYR 93 -3.426 11.248 9.685 681 H LEU 94 H LEU 94 -2.770 7.885 4.915 682 HA LEU 94 HA LEU 94 -4.290 8.307 2.427 683 HB2 LEU 94 1HB LEU 94 -3.972 5.982 2.569 684 HB3 LEU 94 2HB LEU 94 -4.274 5.966 4.306 685 HG LEU 94 HG LEU 94 -6.675 6.734 3.589 686 HD11 LEU 94 1HD1 LEU 94 -5.794 6.858 1.152 687 HD12 LEU 94 2HD1 LEU 94 -7.392 6.182 1.465 688 HD13 LEU 94 3HD1 LEU 94 -6.025 5.109 1.167 689 HD21 LEU 94 1HD2 LEU 94 -7.380 4.430 3.583 690 HD22 LEU 94 2HD2 LEU 94 -6.057 4.628 4.732 691 HD23 LEU 94 3HD2 LEU 94 -5.754 3.895 3.157 692 H ASN 95 H ASN 95 -5.803 9.794 2.717 693 HA ASN 95 HA ASN 95 -6.901 10.228 5.396 694 HB2 ASN 95 1HB ASN 95 -6.048 12.213 4.298 695 HB3 ASN 95 2HB ASN 95 -7.046 11.902 2.881 696 HD21 ASN 95 1HD2 ASN 95 -7.730 14.130 3.336 697 HD22 ASN 95 2HD2 ASN 95 -9.030 14.378 4.446 698 H VAL 96 H VAL 96 -8.872 9.561 5.932 699 HA VAL 96 HA VAL 96 -10.723 8.793 3.768 700 HB VAL 96 HB VAL 96 -10.605 7.629 6.553 701 HG11 VAL 96 1HG1 VAL 96 -12.557 6.664 6.115 702 HG12 VAL 96 2HG1 VAL 96 -12.665 7.647 4.653 703 HG13 VAL 96 3HG1 VAL 96 -11.954 6.033 4.583 704 HG21 VAL 96 1HG2 VAL 96 -9.766 6.318 3.974 705 HG22 VAL 96 2HG2 VAL 96 -8.638 7.079 5.096 706 HG23 VAL 96 3HG2 VAL 96 -9.589 5.686 5.611 707 H SER 97 H SER 97 -12.252 10.291 3.571 708 HA SER 97 HA SER 97 -13.213 11.692 5.960 709 HB2 SER 97 1HB SER 97 -13.596 12.292 3.017 710 HB3 SER 97 2HB SER 97 -14.275 13.252 4.332 711 HG SER 97 HG SER 97 -11.918 13.295 5.037 712 H SER 98 H SER 98 -15.274 11.547 6.682 713 HA SER 98 HA SER 98 -16.801 9.283 6.129 714 HB2 SER 98 1HB SER 98 -17.780 11.898 7.301 715 HB3 SER 98 2HB SER 98 -18.556 10.323 7.470 716 HG SER 98 HG SER 98 -17.379 10.460 9.272 717 H GLY 99 H GLY 99 -18.935 9.106 5.185 718 HA2 GLY 99 1HA GLY 99 -19.121 10.686 2.729 719 HA3 GLY 99 2HA GLY 99 -19.950 9.171 3.052 720 HA PRO 100 HA PRO 100 -22.651 13.030 3.839 721 HB2 PRO 100 1HB PRO 100 -24.093 13.014 1.538 722 HB3 PRO 100 2HB PRO 100 -22.594 13.931 1.726 723 HG2 PRO 100 1HG PRO 100 -23.036 11.266 0.436 724 HG3 PRO 100 2HG PRO 100 -22.044 12.627 -0.120 725 HD2 PRO 100 1HD PRO 100 -20.986 10.461 1.114 726 HD3 PRO 100 2HD PRO 100 -20.296 12.088 1.282 727 H SER 101 H SER 101 -24.252 12.431 5.144 728 HA SER 101 HA SER 101 -25.361 9.983 5.477 729 HB2 SER 101 1HB SER 101 -26.555 12.716 5.903 730 HB3 SER 101 2HB SER 101 -27.440 11.252 6.329 731 HG SER 101 HG SER 101 -25.947 10.774 7.847 732 H SER 102 H SER 102 -26.188 8.682 3.980 733 HA SER 102 HA SER 102 -27.925 9.811 1.902 734 HB2 SER 102 1HB SER 102 -26.387 7.220 2.081 735 HB3 SER 102 2HB SER 102 -27.599 7.517 0.835 736 HG SER 102 HG SER 102 -25.418 9.260 1.305 737 H GLY 103 H GLY 103 -27.766 6.817 3.846 738 HA2 GLY 103 1HA GLY 103 -30.313 5.888 3.478 739 HA3 GLY 103 2HA GLY 103 -29.423 5.688 4.980 Start of MODEL 5 1 H1 GLY 1 H GLY 1 28.021 -2.502 -9.656 2 HA2 GLY 1 1HA GLY 1 28.032 -2.184 -7.381 3 HA3 GLY 1 2HA GLY 1 29.649 -1.517 -7.560 4 H SER 2 H SER 2 26.596 -0.354 -8.934 5 HA SER 2 HA SER 2 26.793 2.031 -7.230 6 HB2 SER 2 1HB SER 2 27.777 2.483 -9.494 7 HB3 SER 2 2HB SER 2 26.197 2.134 -10.195 8 HG SER 2 HG SER 2 26.981 4.436 -9.391 9 H SER 3 H SER 3 24.762 3.343 -7.284 10 HA SER 3 HA SER 3 22.570 1.876 -6.491 11 HB2 SER 3 1HB SER 3 21.277 3.925 -6.667 12 HB3 SER 3 2HB SER 3 22.893 4.310 -6.075 13 HG SER 3 HG SER 3 22.044 4.532 -8.775 14 H GLY 4 H GLY 4 20.849 0.938 -7.456 15 HA2 GLY 4 1HA GLY 4 20.978 0.578 -10.332 16 HA3 GLY 4 2HA GLY 4 19.898 -0.253 -9.221 17 H SER 5 H SER 5 17.851 0.476 -8.955 18 HA SER 5 HA SER 5 16.851 2.346 -10.869 19 HB2 SER 5 1HB SER 5 15.502 0.943 -8.552 20 HB3 SER 5 2HB SER 5 14.656 1.927 -9.745 21 HG SER 5 HG SER 5 15.919 0.359 -11.247 22 H SER 6 H SER 6 17.794 4.337 -10.429 23 HA SER 6 HA SER 6 18.256 6.276 -9.275 24 HB2 SER 6 1HB SER 6 16.204 7.472 -8.646 25 HB3 SER 6 2HB SER 6 15.996 6.636 -10.185 26 HG SER 6 HG SER 6 15.287 5.257 -7.870 27 H GLY 7 H GLY 7 18.756 3.910 -7.698 28 HA2 GLY 7 1HA GLY 7 19.718 4.228 -5.450 29 HA3 GLY 7 2HA GLY 7 18.209 5.015 -5.012 30 HA PRO 8 HA PRO 8 16.817 1.167 -3.416 31 HB2 PRO 8 1HB PRO 8 14.138 1.604 -3.481 32 HB3 PRO 8 2HB PRO 8 15.209 2.376 -2.306 33 HG2 PRO 8 1HG PRO 8 14.088 3.475 -4.855 34 HG3 PRO 8 2HG PRO 8 14.243 4.258 -3.272 35 HD2 PRO 8 1HD PRO 8 15.982 4.711 -5.297 36 HD3 PRO 8 2HD PRO 8 16.473 4.748 -3.591 37 H PHE 9 H PHE 9 14.842 -0.415 -3.940 38 HA PHE 9 HA PHE 9 15.041 -0.992 -6.818 39 HB2 PHE 9 1HB PHE 9 14.759 -2.758 -4.402 40 HB3 PHE 9 2HB PHE 9 14.295 -3.340 -5.997 41 HD1 PHE 9 2HD PHE 9 17.155 -1.665 -4.289 42 HD2 PHE 9 1HD PHE 9 15.873 -4.424 -7.266 43 HE1 PHE 9 2HE PHE 9 19.499 -2.251 -4.751 44 HE2 PHE 9 1HE PHE 9 18.215 -5.016 -7.732 45 HZ PHE 9 HZ PHE 9 20.032 -3.928 -6.474 46 H ILE 10 H ILE 10 13.165 0.893 -5.949 47 HA ILE 10 HA ILE 10 10.644 -0.563 -6.410 48 HB ILE 10 HB ILE 10 11.012 1.936 -4.753 49 HG12 ILE 10 1HG1 ILE 10 9.999 -0.733 -3.797 50 HG13 ILE 10 2HG1 ILE 10 11.718 -0.358 -3.806 51 HG21 ILE 10 1HG2 ILE 10 8.807 1.243 -6.210 52 HG22 ILE 10 2HG2 ILE 10 8.452 0.534 -4.636 53 HG23 ILE 10 3HG2 ILE 10 8.797 2.258 -4.768 54 HD11 ILE 10 1HD1 ILE 10 10.621 1.822 -2.554 55 HD12 ILE 10 2HD1 ILE 10 9.634 0.482 -1.971 56 HD13 ILE 10 3HD1 ILE 10 11.384 0.444 -1.763 57 H MET 11 H MET 11 10.729 -0.244 -8.642 58 HA MET 11 HA MET 11 11.371 1.827 -10.188 59 HB2 MET 11 1HB MET 11 8.748 0.341 -10.417 60 HB3 MET 11 2HB MET 11 9.523 1.250 -11.707 61 HG2 MET 11 1HG MET 11 11.072 -0.914 -10.396 62 HG3 MET 11 2HG MET 11 9.770 -1.364 -11.495 63 HE1 MET 11 1HE MET 11 13.499 -1.566 -13.179 64 HE2 MET 11 2HE MET 11 12.989 -1.827 -11.511 65 HE3 MET 11 3HE MET 11 12.113 -2.600 -12.833 66 H ASP 12 H ASP 12 8.247 1.630 -8.491 67 HA ASP 12 HA ASP 12 8.131 4.566 -8.545 68 HB2 ASP 12 1HB ASP 12 6.627 3.454 -10.288 69 HB3 ASP 12 2HB ASP 12 5.681 2.852 -8.930 70 H ALA 13 H ALA 13 7.882 5.399 -6.585 71 HA ALA 13 HA ALA 13 7.130 3.638 -4.382 72 HB1 ALA 13 1HB ALA 13 8.524 6.273 -4.573 73 HB2 ALA 13 2HB ALA 13 7.790 5.774 -3.048 74 HB3 ALA 13 3HB ALA 13 9.044 4.780 -3.790 75 HA PRO 14 HA PRO 14 3.044 5.240 -4.036 76 HB2 PRO 14 1HB PRO 14 2.585 4.692 -1.417 77 HB3 PRO 14 2HB PRO 14 2.617 3.444 -2.668 78 HG2 PRO 14 1HG PRO 14 4.758 4.241 -0.733 79 HG3 PRO 14 2HG PRO 14 4.247 2.618 -1.230 80 HD2 PRO 14 1HD PRO 14 6.448 3.826 -2.244 81 HD3 PRO 14 2HD PRO 14 5.454 2.701 -3.192 82 H ARG 15 H ARG 15 1.928 7.041 -3.314 83 HA ARG 15 HA ARG 15 3.369 8.866 -1.513 84 HB2 ARG 15 1HB ARG 15 3.659 9.566 -3.878 85 HB3 ARG 15 2HB ARG 15 1.911 9.685 -4.031 86 HG2 ARG 15 1HG ARG 15 1.843 11.464 -2.410 87 HG3 ARG 15 2HG ARG 15 3.571 11.288 -2.098 88 HD2 ARG 15 1HD ARG 15 2.525 11.891 -4.845 89 HD3 ARG 15 2HD ARG 15 2.803 13.172 -3.666 90 HE ARG 15 HE ARG 15 5.095 11.533 -3.891 91 HH11 ARG 15 2HH1 ARG 15 3.313 13.992 -5.594 92 HH12 ARG 15 1HH1 ARG 15 4.698 14.592 -6.444 93 HH21 ARG 15 2HH2 ARG 15 6.927 12.314 -5.004 94 HH22 ARG 15 1HH2 ARG 15 6.753 13.637 -6.108 95 H ASP 16 H ASP 16 2.002 10.465 -0.466 96 HA ASP 16 HA ASP 16 -0.138 9.491 0.882 97 HB2 ASP 16 1HB ASP 16 -0.503 11.624 1.675 98 HB3 ASP 16 2HB ASP 16 1.123 11.806 1.020 99 H LEU 17 H LEU 17 -2.183 8.963 0.460 100 HA LEU 17 HA LEU 17 -3.371 9.920 -2.062 101 HB2 LEU 17 1HB LEU 17 -2.910 7.587 -2.266 102 HB3 LEU 17 2HB LEU 17 -3.628 7.252 -0.691 103 HG LEU 17 HG LEU 17 -5.827 8.059 -1.733 104 HD11 LEU 17 1HD1 LEU 17 -5.371 7.243 -4.349 105 HD12 LEU 17 2HD1 LEU 17 -4.030 8.326 -3.978 106 HD13 LEU 17 3HD1 LEU 17 -5.692 8.885 -3.791 107 HD21 LEU 17 1HD2 LEU 17 -6.378 5.895 -2.041 108 HD22 LEU 17 2HD2 LEU 17 -4.765 5.609 -1.389 109 HD23 LEU 17 3HD2 LEU 17 -5.027 5.593 -3.134 110 H ASN 18 H ASN 18 -5.511 10.552 -2.053 111 HA ASN 18 HA ASN 18 -6.806 10.692 0.591 112 HB2 ASN 18 1HB ASN 18 -7.751 12.870 -0.073 113 HB3 ASN 18 2HB ASN 18 -5.991 12.904 -0.058 114 HD21 ASN 18 1HD2 ASN 18 -8.799 13.399 -1.880 115 HD22 ASN 18 2HD2 ASN 18 -8.046 13.731 -3.400 116 H ILE 19 H ILE 19 -8.426 9.270 0.534 117 HA ILE 19 HA ILE 19 -10.299 9.411 -1.728 118 HB ILE 19 HB ILE 19 -9.015 7.397 -2.078 119 HG12 ILE 19 1HG1 ILE 19 -11.560 6.387 -0.852 120 HG13 ILE 19 2HG1 ILE 19 -11.626 7.478 -2.232 121 HG21 ILE 19 1HG2 ILE 19 -9.223 7.197 0.811 122 HG22 ILE 19 2HG2 ILE 19 -9.606 5.679 0.000 123 HG23 ILE 19 3HG2 ILE 19 -8.056 6.468 -0.292 124 HD11 ILE 19 1HD1 ILE 19 -11.695 4.950 -2.650 125 HD12 ILE 19 2HD1 ILE 19 -10.630 5.938 -3.650 126 HD13 ILE 19 3HD1 ILE 19 -9.964 4.995 -2.317 127 H SER 20 H SER 20 -12.470 9.017 -1.236 128 HA SER 20 HA SER 20 -13.240 9.730 1.424 129 HB2 SER 20 1HB SER 20 -14.762 9.043 -1.082 130 HB3 SER 20 2HB SER 20 -15.593 9.286 0.454 131 HG SER 20 HG SER 20 -14.432 11.363 0.509 132 H GLU 21 H GLU 21 -14.999 8.470 2.568 133 HA GLU 21 HA GLU 21 -14.023 5.836 3.096 134 HB2 GLU 21 1HB GLU 21 -14.848 7.051 4.961 135 HB3 GLU 21 2HB GLU 21 -16.359 7.425 4.142 136 HG2 GLU 21 1HG GLU 21 -15.688 4.572 4.619 137 HG3 GLU 21 2HG GLU 21 -16.206 5.555 5.987 138 H GLY 22 H GLY 22 -15.030 3.857 2.750 139 HA2 GLY 22 1HA GLY 22 -16.376 2.314 1.704 140 HA3 GLY 22 2HA GLY 22 -17.584 3.579 1.539 141 H ARG 23 H ARG 23 -14.297 3.585 0.241 142 HA ARG 23 HA ARG 23 -15.396 3.298 -2.466 143 HB2 ARG 23 1HB ARG 23 -13.470 5.453 -1.576 144 HB3 ARG 23 2HB ARG 23 -13.923 5.133 -3.244 145 HG2 ARG 23 1HG ARG 23 -16.353 5.488 -2.314 146 HG3 ARG 23 2HG ARG 23 -15.498 6.382 -1.055 147 HD2 ARG 23 1HD ARG 23 -14.466 7.803 -2.725 148 HD3 ARG 23 2HD ARG 23 -15.216 6.868 -4.018 149 HE ARG 23 HE ARG 23 -16.424 8.947 -2.485 150 HH11 ARG 23 2HH1 ARG 23 -17.070 5.971 -4.171 151 HH12 ARG 23 1HH1 ARG 23 -18.728 6.359 -4.490 152 HH21 ARG 23 2HH2 ARG 23 -18.606 9.470 -2.899 153 HH22 ARG 23 1HH2 ARG 23 -19.600 8.350 -3.767 154 H MET 24 H MET 24 -13.604 2.982 -4.102 155 HA MET 24 HA MET 24 -11.798 0.963 -3.070 156 HB2 MET 24 1HB MET 24 -13.220 0.972 -5.303 157 HB3 MET 24 2HB MET 24 -11.799 1.792 -5.937 158 HG2 MET 24 1HG MET 24 -10.431 -0.048 -5.611 159 HG3 MET 24 2HG MET 24 -11.522 -0.773 -4.432 160 HE1 MET 24 1HE MET 24 -10.961 -2.811 -5.424 161 HE2 MET 24 2HE MET 24 -12.106 -3.587 -6.517 162 HE3 MET 24 3HE MET 24 -10.609 -2.902 -7.150 163 H ALA 25 H ALA 25 -9.724 1.284 -2.608 164 HA ALA 25 HA ALA 25 -8.402 3.682 -3.703 165 HB1 ALA 25 1HB ALA 25 -8.748 2.827 -0.964 166 HB2 ALA 25 2HB ALA 25 -7.043 3.026 -1.370 167 HB3 ALA 25 3HB ALA 25 -8.166 4.366 -1.600 168 H GLU 26 H GLU 26 -5.969 3.494 -3.665 169 HA GLU 26 HA GLU 26 -4.850 0.845 -3.758 170 HB2 GLU 26 1HB GLU 26 -5.080 2.455 -6.307 171 HB3 GLU 26 2HB GLU 26 -4.122 0.993 -6.119 172 HG2 GLU 26 1HG GLU 26 -6.174 -0.260 -5.605 173 HG3 GLU 26 2HG GLU 26 -7.113 1.208 -5.870 174 H LEU 27 H LEU 27 -2.622 0.844 -3.642 175 HA LEU 27 HA LEU 27 -1.391 3.494 -3.296 176 HB2 LEU 27 1HB LEU 27 -0.963 0.845 -1.999 177 HB3 LEU 27 2HB LEU 27 0.389 1.970 -2.106 178 HG LEU 27 HG LEU 27 -2.201 2.890 -0.934 179 HD11 LEU 27 1HD1 LEU 27 -0.365 0.882 0.208 180 HD12 LEU 27 2HD1 LEU 27 -2.077 1.168 0.520 181 HD13 LEU 27 3HD1 LEU 27 -0.859 2.193 1.279 182 HD21 LEU 27 1HD2 LEU 27 0.530 3.830 -1.166 183 HD22 LEU 27 2HD2 LEU 27 -0.035 3.844 0.505 184 HD23 LEU 27 3HD2 LEU 27 -0.937 4.712 -0.738 185 H LYS 28 H LYS 28 -0.306 4.093 -5.051 186 HA LYS 28 HA LYS 28 0.614 2.423 -7.086 187 HB2 LYS 28 1HB LYS 28 1.414 5.208 -6.257 188 HB3 LYS 28 2HB LYS 28 2.104 4.418 -7.669 189 HG2 LYS 28 1HG LYS 28 -0.854 4.521 -7.433 190 HG3 LYS 28 2HG LYS 28 0.008 6.005 -7.847 191 HD2 LYS 28 1HD LYS 28 0.869 5.088 -9.822 192 HD3 LYS 28 2HD LYS 28 0.530 3.434 -9.307 193 HE2 LYS 28 1HE LYS 28 -1.610 5.481 -9.858 194 HE3 LYS 28 2HE LYS 28 -1.007 4.354 -11.072 195 HZ1 LYS 28 1HZ LYS 28 -2.477 3.737 -8.579 196 HZ2 LYS 28 2HZ LYS 28 -1.621 2.553 -9.431 197 HZ3 LYS 28 3HZ LYS 28 -2.910 3.360 -10.170 198 H CYS 29 H CYS 29 1.957 0.768 -6.674 199 HA CYS 29 HA CYS 29 4.635 1.400 -5.729 200 HB2 CYS 29 1HB CYS 29 3.759 0.780 -3.641 201 HB3 CYS 29 2HB CYS 29 2.756 -0.488 -4.335 202 HG CYS 29 HG CYS 29 4.442 -2.140 -3.221 203 H ARG 30 H ARG 30 6.075 0.448 -7.003 204 HA ARG 30 HA ARG 30 5.257 -1.972 -8.473 205 HB2 ARG 30 1HB ARG 30 6.878 0.404 -9.349 206 HB3 ARG 30 2HB ARG 30 7.018 -1.145 -10.170 207 HG2 ARG 30 1HG ARG 30 4.426 -0.980 -10.340 208 HG3 ARG 30 2HG ARG 30 4.710 0.739 -10.063 209 HD2 ARG 30 1HD ARG 30 4.830 0.701 -12.340 210 HD3 ARG 30 2HD ARG 30 6.520 0.379 -11.954 211 HE ARG 30 HE ARG 30 6.281 -1.660 -12.938 212 HH11 ARG 30 2HH1 ARG 30 3.132 -0.525 -11.980 213 HH12 ARG 30 1HH1 ARG 30 2.290 -1.863 -12.690 214 HH21 ARG 30 2HH2 ARG 30 5.184 -3.425 -13.877 215 HH22 ARG 30 1HH2 ARG 30 3.459 -3.512 -13.768 216 H THR 31 H THR 31 6.433 -3.734 -8.122 217 HA THR 31 HA THR 31 9.148 -3.414 -7.018 218 HB THR 31 HB THR 31 8.751 -5.600 -5.823 219 HG1 THR 31 1HG THR 31 6.965 -6.498 -6.639 220 HG21 THR 31 1HG2 THR 31 8.100 -4.498 -3.946 221 HG22 THR 31 2HG2 THR 31 6.720 -3.739 -4.739 222 HG23 THR 31 3HG2 THR 31 8.341 -3.088 -4.976 223 HA PRO 32 HA PRO 32 10.566 -5.921 -10.341 224 HB2 PRO 32 1HB PRO 32 12.794 -6.979 -9.207 225 HB3 PRO 32 2HB PRO 32 12.688 -5.293 -9.724 226 HG2 PRO 32 1HG PRO 32 12.377 -6.457 -6.984 227 HG3 PRO 32 2HG PRO 32 13.248 -4.997 -7.486 228 HD2 PRO 32 1HD PRO 32 10.780 -4.911 -6.375 229 HD3 PRO 32 2HD PRO 32 11.324 -3.731 -7.584 230 HA PRO 33 HA PRO 33 9.322 -10.111 -9.864 231 HB2 PRO 33 1HB PRO 33 11.110 -11.449 -11.410 232 HB3 PRO 33 2HB PRO 33 9.834 -10.426 -12.082 233 HG2 PRO 33 1HG PRO 33 12.728 -9.800 -11.639 234 HG3 PRO 33 2HG PRO 33 11.703 -9.423 -13.036 235 HD2 PRO 33 1HD PRO 33 12.298 -7.594 -11.131 236 HD3 PRO 33 2HD PRO 33 10.753 -7.593 -12.005 237 H MET 34 H MET 34 9.698 -11.979 -8.697 238 HA MET 34 HA MET 34 10.638 -13.343 -7.139 239 HB2 MET 34 1HB MET 34 13.234 -12.315 -8.298 240 HB3 MET 34 2HB MET 34 13.079 -13.698 -7.223 241 HG2 MET 34 1HG MET 34 11.413 -14.530 -9.080 242 HG3 MET 34 2HG MET 34 12.347 -13.426 -10.087 243 HE1 MET 34 1HE MET 34 13.120 -17.567 -9.770 244 HE2 MET 34 2HE MET 34 12.718 -17.083 -8.123 245 HE3 MET 34 3HE MET 34 11.675 -16.604 -9.463 246 H SER 35 H SER 35 9.748 -10.960 -6.183 247 HA SER 35 HA SER 35 11.680 -10.410 -4.039 248 HB2 SER 35 1HB SER 35 10.042 -8.295 -5.458 249 HB3 SER 35 2HB SER 35 11.140 -8.024 -4.105 250 HG SER 35 HG SER 35 12.100 -9.268 -6.430 251 H SER 36 H SER 36 10.728 -9.646 -2.062 252 HA SER 36 HA SER 36 8.056 -10.750 -1.662 253 HB2 SER 36 1HB SER 36 9.788 -11.478 -0.110 254 HB3 SER 36 2HB SER 36 10.139 -9.805 0.323 255 HG SER 36 HG SER 36 7.929 -11.396 0.989 256 H VAL 37 H VAL 37 6.303 -9.526 -1.488 257 HA VAL 37 HA VAL 37 6.655 -6.632 -1.066 258 HB VAL 37 HB VAL 37 4.376 -8.085 -2.417 259 HG11 VAL 37 1HG1 VAL 37 4.808 -5.231 -1.658 260 HG12 VAL 37 2HG1 VAL 37 3.893 -5.617 -3.117 261 HG13 VAL 37 3HG1 VAL 37 3.348 -6.214 -1.549 262 HG21 VAL 37 1HG2 VAL 37 6.888 -7.427 -3.415 263 HG22 VAL 37 2HG2 VAL 37 5.456 -7.854 -4.351 264 HG23 VAL 37 3HG2 VAL 37 5.819 -6.161 -4.018 265 H LYS 38 H LYS 38 5.984 -5.831 0.803 266 HA LYS 38 HA LYS 38 3.717 -7.096 2.173 267 HB2 LYS 38 1HB LYS 38 6.311 -6.287 3.501 268 HB3 LYS 38 2HB LYS 38 4.874 -6.859 4.337 269 HG2 LYS 38 1HG LYS 38 5.177 -8.932 2.747 270 HG3 LYS 38 2HG LYS 38 6.848 -8.365 2.706 271 HD2 LYS 38 1HD LYS 38 5.391 -8.724 5.304 272 HD3 LYS 38 2HD LYS 38 6.178 -10.085 4.503 273 HE2 LYS 38 1HE LYS 38 7.703 -7.556 4.927 274 HE3 LYS 38 2HE LYS 38 7.460 -8.652 6.286 275 HZ1 LYS 38 1HZ LYS 38 8.841 -10.181 5.415 276 HZ2 LYS 38 2HZ LYS 38 9.490 -8.856 4.589 277 HZ3 LYS 38 3HZ LYS 38 8.381 -9.873 3.817 278 H TRP 39 H TRP 39 2.734 -5.692 3.822 279 HA TRP 39 HA TRP 39 3.301 -2.839 3.484 280 HB2 TRP 39 1HB TRP 39 0.661 -4.189 2.949 281 HB3 TRP 39 2HB TRP 39 0.761 -2.481 3.366 282 HD1 TRP 39 HD TRP 39 1.584 -4.929 0.547 283 HE1 TRP 39 1HE TRP 39 2.053 -3.587 -1.599 284 HE3 TRP 39 3HE TRP 39 1.587 -0.214 2.523 285 HZ2 TRP 39 2HZ TRP 39 2.382 -0.887 -2.354 286 HZ3 TRP 39 3HZ TRP 39 1.986 1.694 1.021 287 HH2 TRP 39 HH TRP 39 2.376 1.362 -1.366 288 H LEU 40 H LEU 40 3.639 -2.068 5.454 289 HA LEU 40 HA LEU 40 2.522 -3.383 7.778 290 HB2 LEU 40 1HB LEU 40 4.890 -2.377 7.498 291 HB3 LEU 40 2HB LEU 40 4.100 -0.839 7.842 292 HG LEU 40 HG LEU 40 3.981 -3.207 9.700 293 HD11 LEU 40 1HD1 LEU 40 5.912 -2.619 10.704 294 HD12 LEU 40 2HD1 LEU 40 5.700 -0.903 10.356 295 HD13 LEU 40 3HD1 LEU 40 6.299 -1.990 9.103 296 HD21 LEU 40 1HD2 LEU 40 2.653 -0.701 9.606 297 HD22 LEU 40 2HD2 LEU 40 3.772 -0.677 10.970 298 HD23 LEU 40 3HD2 LEU 40 2.558 -1.952 10.846 299 H LEU 41 H LEU 41 1.036 -2.540 9.194 300 HA LEU 41 HA LEU 41 -0.534 -0.287 8.172 301 HB2 LEU 41 1HB LEU 41 -1.215 -2.327 10.284 302 HB3 LEU 41 2HB LEU 41 -2.297 -1.081 9.666 303 HG LEU 41 HG LEU 41 -2.919 -3.155 8.673 304 HD11 LEU 41 1HD1 LEU 41 -3.082 -2.441 6.528 305 HD12 LEU 41 2HD1 LEU 41 -1.370 -2.033 6.414 306 HD13 LEU 41 3HD1 LEU 41 -2.480 -0.948 7.249 307 HD21 LEU 41 1HD2 LEU 41 -1.445 -4.629 7.552 308 HD22 LEU 41 2HD2 LEU 41 -0.677 -4.236 9.090 309 HD23 LEU 41 3HD2 LEU 41 -0.123 -3.463 7.604 310 HA PRO 42 HA PRO 42 0.705 2.451 11.374 311 HB2 PRO 42 1HB PRO 42 -1.562 3.909 11.706 312 HB3 PRO 42 2HB PRO 42 -0.514 4.070 10.291 313 HG2 PRO 42 1HG PRO 42 -3.067 2.535 10.594 314 HG3 PRO 42 2HG PRO 42 -2.529 3.557 9.248 315 HD2 PRO 42 1HD PRO 42 -2.367 0.855 9.180 316 HD3 PRO 42 2HD PRO 42 -1.191 1.903 8.362 317 H ASN 43 H ASN 43 -1.351 -0.061 11.906 318 HA ASN 43 HA ASN 43 -2.000 0.713 14.659 319 HB2 ASN 43 1HB ASN 43 -3.218 -1.653 14.432 320 HB3 ASN 43 2HB ASN 43 -3.958 -0.161 13.858 321 HD21 ASN 43 1HD2 ASN 43 -2.378 -3.116 12.951 322 HD22 ASN 43 2HD2 ASN 43 -2.783 -3.056 11.273 323 H GLY 44 H GLY 44 0.248 -1.075 12.871 324 HA2 GLY 44 1HA GLY 44 2.190 -1.791 14.265 325 HA3 GLY 44 2HA GLY 44 1.011 -2.600 15.287 326 H THR 45 H THR 45 -0.617 -3.642 13.193 327 HA THR 45 HA THR 45 0.823 -6.030 12.635 328 HB THR 45 HB THR 45 -1.741 -5.255 11.264 329 HG1 THR 45 1HG THR 45 -2.778 -6.147 13.161 330 HG21 THR 45 1HG2 THR 45 -0.324 -7.790 11.960 331 HG22 THR 45 2HG2 THR 45 -1.111 -7.319 10.453 332 HG23 THR 45 3HG2 THR 45 -2.084 -7.792 11.846 333 H VAL 46 H VAL 46 0.747 -6.961 10.325 334 HA VAL 46 HA VAL 46 1.150 -5.017 8.215 335 HB VAL 46 HB VAL 46 3.363 -5.051 9.242 336 HG11 VAL 46 1HG1 VAL 46 3.666 -7.944 8.542 337 HG12 VAL 46 2HG1 VAL 46 4.613 -6.958 9.657 338 HG13 VAL 46 3HG1 VAL 46 2.983 -7.469 10.097 339 HG21 VAL 46 1HG2 VAL 46 4.325 -6.478 7.028 340 HG22 VAL 46 2HG2 VAL 46 2.780 -5.789 6.527 341 HG23 VAL 46 3HG2 VAL 46 4.053 -4.740 7.151 342 H LEU 47 H LEU 47 0.424 -5.818 6.352 343 HA LEU 47 HA LEU 47 -0.109 -8.695 6.195 344 HB2 LEU 47 1HB LEU 47 -1.130 -6.444 4.470 345 HB3 LEU 47 2HB LEU 47 -1.631 -8.131 4.375 346 HG LEU 47 HG LEU 47 -2.078 -6.373 6.784 347 HD11 LEU 47 1HD1 LEU 47 -4.510 -6.580 5.902 348 HD12 LEU 47 2HD1 LEU 47 -3.733 -6.861 4.345 349 HD13 LEU 47 3HD1 LEU 47 -3.437 -5.359 5.219 350 HD21 LEU 47 1HD2 LEU 47 -3.937 -8.408 6.738 351 HD22 LEU 47 2HD2 LEU 47 -2.490 -8.343 7.744 352 HD23 LEU 47 3HD2 LEU 47 -2.454 -9.196 6.200 353 H SER 48 H SER 48 0.012 -9.587 3.878 354 HA SER 48 HA SER 48 2.042 -8.458 2.180 355 HB2 SER 48 1HB SER 48 3.623 -10.316 2.353 356 HB3 SER 48 2HB SER 48 3.422 -9.541 3.924 357 HG SER 48 HG SER 48 2.017 -11.228 4.507 358 H HIS 49 H HIS 49 2.539 -10.016 0.328 359 HA HIS 49 HA HIS 49 0.366 -10.575 -1.165 360 HB2 HIS 49 1HB HIS 49 2.757 -10.766 -1.899 361 HB3 HIS 49 2HB HIS 49 2.811 -12.354 -1.140 362 HD1 HIS 49 1HD HIS 49 0.203 -10.816 -3.451 363 HD2 HIS 49 2HD HIS 49 2.713 -14.116 -3.186 364 HE1 HIS 49 1HE HIS 49 -0.338 -12.235 -5.455 365 HE2 HIS 49 2HE HIS 49 1.133 -14.267 -5.228 366 H ALA 50 H ALA 50 1.636 -12.551 1.424 367 HA ALA 50 HA ALA 50 0.093 -14.875 0.860 368 HB1 ALA 50 1HB ALA 50 1.414 -13.961 3.412 369 HB2 ALA 50 2HB ALA 50 0.703 -15.555 3.159 370 HB3 ALA 50 3HB ALA 50 2.091 -15.046 2.198 371 H SER 51 H SER 51 -0.265 -12.333 3.339 372 HA SER 51 HA SER 51 -2.466 -13.003 4.675 373 HB2 SER 51 1HB SER 51 -2.972 -10.709 5.003 374 HB3 SER 51 2HB SER 51 -1.234 -10.763 4.711 375 HG SER 51 HG SER 51 -3.133 -9.470 3.328 376 H ARG 52 H ARG 52 -4.675 -13.089 4.437 377 HA ARG 52 HA ARG 52 -5.633 -13.108 1.657 378 HB2 ARG 52 1HB ARG 52 -5.773 -15.211 3.074 379 HB3 ARG 52 2HB ARG 52 -6.982 -14.375 4.039 380 HG2 ARG 52 1HG ARG 52 -8.556 -14.431 2.368 381 HG3 ARG 52 2HG ARG 52 -7.346 -14.548 1.088 382 HD2 ARG 52 1HD ARG 52 -7.104 -16.810 1.334 383 HD3 ARG 52 2HD ARG 52 -7.539 -16.778 3.042 384 HE ARG 52 HE ARG 52 -9.862 -16.142 1.883 385 HH11 ARG 52 2HH1 ARG 52 -7.560 -18.662 1.199 386 HH12 ARG 52 1HH1 ARG 52 -8.752 -19.769 0.602 387 HH21 ARG 52 2HH2 ARG 52 -11.441 -17.590 1.099 388 HH22 ARG 52 1HH2 ARG 52 -10.959 -19.158 0.544 389 H HIS 53 H HIS 53 -5.425 -10.859 3.772 390 HA HIS 53 HA HIS 53 -7.796 -9.964 4.730 391 HB2 HIS 53 1HB HIS 53 -5.426 -8.830 4.615 392 HB3 HIS 53 2HB HIS 53 -6.109 -8.009 3.215 393 HD1 HIS 53 1HD HIS 53 -8.471 -6.716 3.771 394 HD2 HIS 53 2HD HIS 53 -5.973 -7.609 6.969 395 HE1 HIS 53 1HE HIS 53 -9.214 -5.212 5.645 396 HE2 HIS 53 2HE HIS 53 -7.633 -5.710 7.542 397 HA PRO 54 HA PRO 54 -10.510 -9.643 1.255 398 HB2 PRO 54 1HB PRO 54 -12.467 -8.205 2.469 399 HB3 PRO 54 2HB PRO 54 -12.215 -9.929 2.768 400 HG2 PRO 54 1HG PRO 54 -11.340 -7.576 4.398 401 HG3 PRO 54 2HG PRO 54 -12.044 -9.111 4.938 402 HD2 PRO 54 1HD PRO 54 -9.386 -8.605 5.057 403 HD3 PRO 54 2HD PRO 54 -10.036 -10.233 4.776 404 H ARG 55 H ARG 55 -10.183 -6.676 3.220 405 HA ARG 55 HA ARG 55 -10.673 -4.965 0.978 406 HB2 ARG 55 1HB ARG 55 -9.860 -4.529 3.833 407 HB3 ARG 55 2HB ARG 55 -9.790 -3.202 2.681 408 HG2 ARG 55 1HG ARG 55 -12.243 -3.850 2.161 409 HG3 ARG 55 2HG ARG 55 -12.167 -4.680 3.717 410 HD2 ARG 55 1HD ARG 55 -11.289 -1.829 3.456 411 HD3 ARG 55 2HD ARG 55 -12.997 -2.230 3.633 412 HE ARG 55 HE ARG 55 -12.599 -2.899 5.819 413 HH11 ARG 55 2HH1 ARG 55 -9.620 -2.105 4.200 414 HH12 ARG 55 1HH1 ARG 55 -8.686 -2.067 5.658 415 HH21 ARG 55 2HH2 ARG 55 -11.379 -2.853 7.746 416 HH22 ARG 55 1HH2 ARG 55 -9.687 -2.494 7.674 417 H ILE 56 H ILE 56 -7.811 -5.189 3.098 418 HA ILE 56 HA ILE 56 -6.111 -3.918 1.206 419 HB ILE 56 HB ILE 56 -5.377 -5.564 3.630 420 HG12 ILE 56 1HG1 ILE 56 -5.608 -2.565 3.300 421 HG13 ILE 56 2HG1 ILE 56 -6.791 -3.583 4.113 422 HG21 ILE 56 1HG2 ILE 56 -3.433 -3.604 3.054 423 HG22 ILE 56 2HG2 ILE 56 -3.266 -5.357 2.980 424 HG23 ILE 56 3HG2 ILE 56 -3.768 -4.459 1.548 425 HD11 ILE 56 1HD1 ILE 56 -5.163 -2.331 5.580 426 HD12 ILE 56 2HD1 ILE 56 -5.312 -4.064 5.874 427 HD13 ILE 56 3HD1 ILE 56 -3.925 -3.436 4.984 428 H SER 57 H SER 57 -6.183 -5.049 -0.728 429 HA SER 57 HA SER 57 -5.200 -7.818 -0.687 430 HB2 SER 57 1HB SER 57 -6.010 -7.845 -3.085 431 HB3 SER 57 2HB SER 57 -7.274 -7.645 -1.871 432 HG SER 57 HG SER 57 -7.249 -5.412 -2.311 433 H VAL 58 H VAL 58 -3.169 -8.207 -1.241 434 HA VAL 58 HA VAL 58 -1.566 -6.082 -2.419 435 HB VAL 58 HB VAL 58 -0.715 -8.809 -1.434 436 HG11 VAL 58 1HG1 VAL 58 1.527 -7.466 -1.311 437 HG12 VAL 58 2HG1 VAL 58 1.003 -8.188 -2.834 438 HG13 VAL 58 3HG1 VAL 58 0.760 -6.465 -2.543 439 HG21 VAL 58 1HG2 VAL 58 -1.062 -7.954 0.597 440 HG22 VAL 58 2HG2 VAL 58 0.306 -6.889 0.273 441 HG23 VAL 58 3HG2 VAL 58 -1.338 -6.335 -0.046 442 H LEU 59 H LEU 59 -2.033 -5.976 -4.573 443 HA LEU 59 HA LEU 59 -2.514 -8.124 -6.288 444 HB2 LEU 59 1HB LEU 59 -1.379 -5.392 -6.852 445 HB3 LEU 59 2HB LEU 59 -1.865 -6.532 -8.105 446 HG LEU 59 HG LEU 59 -4.183 -6.453 -7.140 447 HD11 LEU 59 1HD1 LEU 59 -3.902 -5.681 -4.954 448 HD12 LEU 59 2HD1 LEU 59 -4.611 -4.312 -5.809 449 HD13 LEU 59 3HD1 LEU 59 -2.882 -4.334 -5.462 450 HD21 LEU 59 1HD2 LEU 59 -3.616 -3.662 -7.862 451 HD22 LEU 59 2HD2 LEU 59 -4.710 -4.830 -8.604 452 HD23 LEU 59 3HD2 LEU 59 -2.988 -4.869 -8.985 453 H ASN 60 H ASN 60 -1.182 -9.063 -7.935 454 HA ASN 60 HA ASN 60 1.197 -10.141 -7.073 455 HB2 ASN 60 1HB ASN 60 0.458 -9.617 -9.960 456 HB3 ASN 60 2HB ASN 60 1.585 -10.836 -9.371 457 HD21 ASN 60 1HD2 ASN 60 0.803 -12.692 -8.407 458 HD22 ASN 60 2HD2 ASN 60 -0.856 -13.163 -8.513 459 H ASP 61 H ASP 61 0.858 -7.485 -9.431 460 HA ASP 61 HA ASP 61 3.487 -6.868 -9.850 461 HB2 ASP 61 1HB ASP 61 2.789 -4.659 -10.471 462 HB3 ASP 61 2HB ASP 61 1.502 -5.770 -10.929 463 H GLY 62 H GLY 62 1.526 -6.096 -7.041 464 HA2 GLY 62 1HA GLY 62 2.775 -5.988 -4.914 465 HA3 GLY 62 2HA GLY 62 3.950 -4.990 -5.759 466 H THR 63 H THR 63 0.440 -4.750 -6.009 467 HA THR 63 HA THR 63 0.640 -2.020 -4.927 468 HB THR 63 HB THR 63 -1.410 -3.215 -6.800 469 HG1 THR 63 1HG THR 63 -0.390 -2.056 -8.332 470 HG21 THR 63 1HG2 THR 63 -1.265 -0.514 -5.473 471 HG22 THR 63 2HG2 THR 63 -2.596 -1.672 -5.447 472 HG23 THR 63 3HG2 THR 63 -2.205 -0.810 -6.935 473 H LEU 64 H LEU 64 -0.980 -1.250 -3.506 474 HA LEU 64 HA LEU 64 -2.329 -3.393 -2.008 475 HB2 LEU 64 1HB LEU 64 -0.551 -1.801 -0.966 476 HB3 LEU 64 2HB LEU 64 -1.879 -0.642 -0.930 477 HG LEU 64 HG LEU 64 -3.174 -2.266 0.446 478 HD11 LEU 64 1HD1 LEU 64 -1.524 -3.952 1.613 479 HD12 LEU 64 2HD1 LEU 64 -0.677 -3.838 0.071 480 HD13 LEU 64 3HD1 LEU 64 -2.357 -4.374 0.116 481 HD21 LEU 64 1HD2 LEU 64 -2.156 -0.510 1.629 482 HD22 LEU 64 2HD2 LEU 64 -0.542 -1.191 1.420 483 HD23 LEU 64 3HD2 LEU 64 -1.697 -1.974 2.499 484 H ASN 65 H ASN 65 -4.312 -3.536 -2.935 485 HA ASN 65 HA ASN 65 -5.833 -1.107 -3.471 486 HB2 ASN 65 1HB ASN 65 -5.846 -2.874 -5.171 487 HB3 ASN 65 2HB ASN 65 -6.506 -4.010 -3.998 488 HD21 ASN 65 1HD2 ASN 65 -7.210 -1.732 -6.359 489 HD22 ASN 65 2HD2 ASN 65 -8.911 -1.597 -6.083 490 H PHE 66 H PHE 66 -7.819 -0.631 -2.522 491 HA PHE 66 HA PHE 66 -8.491 -2.189 -0.115 492 HB2 PHE 66 1HB PHE 66 -8.374 0.812 -0.432 493 HB3 PHE 66 2HB PHE 66 -9.187 0.018 0.913 494 HD1 PHE 66 1HD PHE 66 -5.890 -0.126 -0.835 495 HD2 PHE 66 2HD PHE 66 -8.001 -0.172 2.861 496 HE1 PHE 66 1HE PHE 66 -3.754 -0.240 0.380 497 HE2 PHE 66 2HE PHE 66 -5.868 -0.285 4.082 498 HZ PHE 66 HZ PHE 66 -3.741 -0.318 2.841 499 H SER 67 H SER 67 -10.366 -3.155 -0.526 500 HA SER 67 HA SER 67 -12.218 -2.514 -2.464 501 HB2 SER 67 1HB SER 67 -12.032 -4.603 -0.911 502 HB3 SER 67 2HB SER 67 -13.123 -3.703 0.143 503 HG SER 67 HG SER 67 -13.907 -5.194 -1.731 504 H HIS 68 H HIS 68 -12.184 -1.510 0.938 505 HA HIS 68 HA HIS 68 -13.604 0.906 0.297 506 HB2 HIS 68 1HB HIS 68 -15.508 0.515 1.785 507 HB3 HIS 68 2HB HIS 68 -15.478 -0.673 0.486 508 HD1 HIS 68 1HD HIS 68 -14.612 -3.106 1.175 509 HD2 HIS 68 2HD HIS 68 -15.473 -0.527 4.316 510 HE1 HIS 68 1HE HIS 68 -14.802 -4.568 3.212 511 HE2 HIS 68 2HE HIS 68 -15.408 -2.996 5.084 512 H VAL 69 H VAL 69 -12.269 2.267 1.305 513 HA VAL 69 HA VAL 69 -11.023 1.572 3.822 514 HB VAL 69 HB VAL 69 -9.841 3.680 3.640 515 HG11 VAL 69 1HG1 VAL 69 -8.474 3.103 1.883 516 HG12 VAL 69 2HG1 VAL 69 -9.343 1.589 2.145 517 HG13 VAL 69 3HG1 VAL 69 -9.823 2.668 0.834 518 HG21 VAL 69 1HG2 VAL 69 -10.246 5.253 1.845 519 HG22 VAL 69 2HG2 VAL 69 -11.534 4.233 1.203 520 HG23 VAL 69 3HG2 VAL 69 -11.728 5.015 2.772 521 H LEU 70 H LEU 70 -11.508 2.365 5.804 522 HA LEU 70 HA LEU 70 -13.899 4.071 5.994 523 HB2 LEU 70 1HB LEU 70 -12.839 2.434 8.260 524 HB3 LEU 70 2HB LEU 70 -14.478 3.017 7.979 525 HG LEU 70 HG LEU 70 -14.511 0.662 7.700 526 HD11 LEU 70 1HD1 LEU 70 -15.775 0.744 5.873 527 HD12 LEU 70 2HD1 LEU 70 -14.395 1.126 4.845 528 HD13 LEU 70 3HD1 LEU 70 -15.248 2.417 5.690 529 HD21 LEU 70 1HD2 LEU 70 -12.953 -0.614 6.596 530 HD22 LEU 70 2HD2 LEU 70 -11.936 0.684 7.220 531 HD23 LEU 70 3HD2 LEU 70 -12.460 0.706 5.536 532 H LEU 71 H LEU 71 -13.946 5.345 8.132 533 HA LEU 71 HA LEU 71 -11.902 7.246 8.094 534 HB2 LEU 71 1HB LEU 71 -13.834 6.613 10.319 535 HB3 LEU 71 2HB LEU 71 -12.884 8.090 10.178 536 HG LEU 71 HG LEU 71 -14.920 7.256 8.123 537 HD11 LEU 71 1HD1 LEU 71 -15.434 9.312 10.234 538 HD12 LEU 71 2HD1 LEU 71 -15.788 7.610 10.531 539 HD13 LEU 71 3HD1 LEU 71 -16.581 8.456 9.202 540 HD21 LEU 71 1HD2 LEU 71 -14.136 9.005 7.010 541 HD22 LEU 71 2HD2 LEU 71 -12.975 9.332 8.296 542 HD23 LEU 71 3HD2 LEU 71 -14.585 10.051 8.357 543 H SER 72 H SER 72 -12.213 4.265 9.855 544 HA SER 72 HA SER 72 -10.182 4.836 11.789 545 HB2 SER 72 1HB SER 72 -10.337 2.437 12.334 546 HB3 SER 72 2HB SER 72 -11.935 3.178 12.241 547 HG SER 72 HG SER 72 -11.659 2.383 9.878 548 H ASP 73 H ASP 73 -10.275 3.360 8.613 549 HA ASP 73 HA ASP 73 -7.720 2.176 8.639 550 HB2 ASP 73 1HB ASP 73 -9.521 3.134 6.425 551 HB3 ASP 73 2HB ASP 73 -7.935 2.447 6.087 552 H THR 74 H THR 74 -8.722 5.446 8.419 553 HA THR 74 HA THR 74 -6.713 6.636 6.930 554 HB THR 74 HB THR 74 -8.103 7.702 9.395 555 HG1 THR 74 1HG THR 74 -9.680 8.078 8.043 556 HG21 THR 74 1HG2 THR 74 -6.956 9.615 9.228 557 HG22 THR 74 2HG2 THR 74 -7.155 9.665 7.476 558 HG23 THR 74 3HG2 THR 74 -5.833 8.741 8.188 559 H GLY 75 H GLY 75 -4.586 6.875 7.184 560 HA2 GLY 75 1HA GLY 75 -3.210 7.478 9.499 561 HA3 GLY 75 2HA GLY 75 -3.242 5.722 9.421 562 H VAL 76 H VAL 76 -1.102 5.362 9.036 563 HA VAL 76 HA VAL 76 -0.091 6.320 6.441 564 HB VAL 76 HB VAL 76 1.463 6.122 9.023 565 HG11 VAL 76 1HG1 VAL 76 3.050 5.393 7.537 566 HG12 VAL 76 2HG1 VAL 76 2.349 6.280 6.183 567 HG13 VAL 76 3HG1 VAL 76 3.275 7.137 7.415 568 HG21 VAL 76 1HG2 VAL 76 1.376 8.555 7.317 569 HG22 VAL 76 2HG2 VAL 76 -0.041 8.176 8.297 570 HG23 VAL 76 3HG2 VAL 76 1.529 8.406 9.068 571 H TYR 77 H TYR 77 0.730 4.791 5.144 572 HA TYR 77 HA TYR 77 1.102 2.097 6.280 573 HB2 TYR 77 1HB TYR 77 0.252 2.889 3.487 574 HB3 TYR 77 2HB TYR 77 0.545 1.238 4.021 575 HD1 TYR 77 2HD TYR 77 -1.509 4.225 4.929 576 HD2 TYR 77 1HD TYR 77 -1.252 -0.019 4.756 577 HE1 TYR 77 2HE TYR 77 -3.846 4.059 5.674 578 HE2 TYR 77 1HE TYR 77 -3.589 -0.197 5.500 579 HH TYR 77 HH TYR 77 -5.348 2.511 6.695 580 H THR 78 H THR 78 2.929 0.958 5.798 581 HA THR 78 HA THR 78 4.977 2.365 4.209 582 HB THR 78 HB THR 78 5.571 0.516 6.519 583 HG1 THR 78 1HG THR 78 5.840 3.309 6.719 584 HG21 THR 78 1HG2 THR 78 7.769 1.659 6.438 585 HG22 THR 78 2HG2 THR 78 7.230 2.537 5.007 586 HG23 THR 78 3HG2 THR 78 7.398 0.782 4.954 587 H CYS 79 H CYS 79 5.718 1.299 2.498 588 HA CYS 79 HA CYS 79 5.035 -1.529 2.201 589 HB2 CYS 79 1HB CYS 79 4.429 0.130 0.414 590 HB3 CYS 79 2HB CYS 79 6.148 0.355 0.116 591 HG CYS 79 HG CYS 79 6.484 -2.442 -0.500 592 H MET 80 H MET 80 6.505 -3.090 2.367 593 HA MET 80 HA MET 80 9.328 -2.317 2.578 594 HB2 MET 80 1HB MET 80 8.162 -4.991 3.328 595 HB3 MET 80 2HB MET 80 9.683 -4.283 3.852 596 HG2 MET 80 1HG MET 80 8.476 -2.611 5.143 597 HG3 MET 80 2HG MET 80 6.943 -3.289 4.598 598 HE1 MET 80 1HE MET 80 6.535 -3.543 7.728 599 HE2 MET 80 2HE MET 80 5.713 -3.993 6.234 600 HE3 MET 80 3HE MET 80 6.035 -5.214 7.466 601 H VAL 81 H VAL 81 10.916 -3.275 1.346 602 HA VAL 81 HA VAL 81 10.093 -5.224 -0.684 603 HB VAL 81 HB VAL 81 11.765 -2.810 -1.378 604 HG11 VAL 81 1HG1 VAL 81 11.866 -5.076 -2.655 605 HG12 VAL 81 2HG1 VAL 81 10.314 -4.559 -3.318 606 HG13 VAL 81 3HG1 VAL 81 11.752 -3.566 -3.560 607 HG21 VAL 81 1HG2 VAL 81 9.850 -1.653 -1.314 608 HG22 VAL 81 2HG2 VAL 81 9.420 -2.546 -2.772 609 HG23 VAL 81 3HG2 VAL 81 8.866 -3.112 -1.197 610 H THR 82 H THR 82 11.343 -6.927 -0.292 611 HA THR 82 HA THR 82 14.211 -6.467 0.215 612 HB THR 82 HB THR 82 12.662 -8.846 1.237 613 HG1 THR 82 1HG THR 82 13.324 -6.418 2.580 614 HG21 THR 82 1HG2 THR 82 14.675 -8.805 2.854 615 HG22 THR 82 2HG2 THR 82 15.428 -7.759 1.651 616 HG23 THR 82 3HG2 THR 82 14.932 -9.393 1.211 617 H ASN 83 H ASN 83 15.522 -7.274 -1.280 618 HA ASN 83 HA ASN 83 14.743 -9.694 -2.729 619 HB2 ASN 83 1HB ASN 83 14.216 -7.445 -3.975 620 HB3 ASN 83 2HB ASN 83 15.951 -7.434 -4.281 621 HD21 ASN 83 1HD2 ASN 83 14.890 -7.495 -6.507 622 HD22 ASN 83 2HD2 ASN 83 14.688 -9.064 -7.203 623 H VAL 84 H VAL 84 16.650 -10.433 -4.156 624 HA VAL 84 HA VAL 84 18.903 -10.788 -2.460 625 HB VAL 84 HB VAL 84 18.210 -12.529 -4.028 626 HG11 VAL 84 1HG1 VAL 84 19.254 -10.812 -6.264 627 HG12 VAL 84 2HG1 VAL 84 18.361 -12.330 -6.372 628 HG13 VAL 84 3HG1 VAL 84 17.547 -10.864 -5.825 629 HG21 VAL 84 1HG2 VAL 84 20.412 -13.105 -4.910 630 HG22 VAL 84 2HG2 VAL 84 20.960 -11.450 -4.645 631 HG23 VAL 84 3HG2 VAL 84 20.535 -12.469 -3.270 632 H ALA 85 H ALA 85 18.223 -8.732 -5.224 633 HA ALA 85 HA ALA 85 20.897 -7.863 -5.645 634 HB1 ALA 85 1HB ALA 85 18.281 -6.587 -6.434 635 HB2 ALA 85 2HB ALA 85 19.871 -6.086 -7.011 636 HB3 ALA 85 3HB ALA 85 19.253 -7.689 -7.410 637 H GLY 86 H GLY 86 18.120 -6.434 -3.938 638 HA2 GLY 86 1HA GLY 86 19.804 -5.187 -2.003 639 HA3 GLY 86 2HA GLY 86 19.222 -4.019 -3.179 640 H ASN 87 H ASN 87 18.430 -3.327 -0.860 641 HA ASN 87 HA ASN 87 15.674 -4.334 -0.592 642 HB2 ASN 87 1HB ASN 87 17.070 -5.061 1.311 643 HB3 ASN 87 2HB ASN 87 17.474 -3.380 1.646 644 HD21 ASN 87 1HD2 ASN 87 16.022 -2.090 2.682 645 HD22 ASN 87 2HD2 ASN 87 14.538 -2.671 3.349 646 H SER 88 H SER 88 14.108 -2.787 0.153 647 HA SER 88 HA SER 88 14.783 -0.008 0.343 648 HB2 SER 88 1HB SER 88 13.373 0.663 -1.638 649 HB3 SER 88 2HB SER 88 14.897 -0.122 -2.052 650 HG SER 88 HG SER 88 13.682 -2.085 -2.279 651 H ASN 89 H ASN 89 12.813 1.355 0.611 652 HA ASN 89 HA ASN 89 10.361 -0.053 1.256 653 HB2 ASN 89 1HB ASN 89 10.266 0.807 3.561 654 HB3 ASN 89 2HB ASN 89 11.638 -0.274 3.333 655 HD21 ASN 89 1HD2 ASN 89 10.681 3.103 3.518 656 HD22 ASN 89 2HD2 ASN 89 12.211 3.698 4.056 657 H ALA 90 H ALA 90 8.628 1.493 1.937 658 HA ALA 90 HA ALA 90 9.053 4.280 1.274 659 HB1 ALA 90 1HB ALA 90 7.408 2.461 -0.460 660 HB2 ALA 90 2HB ALA 90 7.142 4.205 -0.408 661 HB3 ALA 90 3HB ALA 90 8.699 3.566 -0.935 662 H SER 91 H SER 91 7.032 5.565 1.572 663 HA SER 91 HA SER 91 5.073 4.273 3.327 664 HB2 SER 91 1HB SER 91 6.476 6.865 4.022 665 HB3 SER 91 2HB SER 91 5.230 6.062 4.977 666 HG SER 91 HG SER 91 7.729 4.891 4.318 667 H ALA 92 H ALA 92 3.125 5.585 3.654 668 HA ALA 92 HA ALA 92 2.648 7.888 2.034 669 HB1 ALA 92 1HB ALA 92 1.190 5.400 1.172 670 HB2 ALA 92 2HB ALA 92 1.165 6.993 0.414 671 HB3 ALA 92 3HB ALA 92 2.630 6.012 0.356 672 H TYR 93 H TYR 93 0.945 9.015 2.800 673 HA TYR 93 HA TYR 93 -0.538 7.839 5.020 674 HB2 TYR 93 1HB TYR 93 0.556 10.042 5.315 675 HB3 TYR 93 2HB TYR 93 -0.470 10.703 4.047 676 HD1 TYR 93 2HD TYR 93 -3.004 10.640 4.425 677 HD2 TYR 93 1HD TYR 93 -0.172 10.019 7.538 678 HE1 TYR 93 2HE TYR 93 -4.730 11.174 6.093 679 HE2 TYR 93 1HE TYR 93 -1.890 10.549 9.216 680 HH TYR 93 HH TYR 93 -4.782 10.378 9.004 681 H LEU 94 H LEU 94 -2.657 7.374 4.972 682 HA LEU 94 HA LEU 94 -4.116 7.975 2.487 683 HB2 LEU 94 1HB LEU 94 -3.945 5.647 2.681 684 HB3 LEU 94 2HB LEU 94 -4.261 5.682 4.414 685 HG LEU 94 HG LEU 94 -6.614 6.566 3.640 686 HD11 LEU 94 1HD1 LEU 94 -7.140 6.393 1.489 687 HD12 LEU 94 2HD1 LEU 94 -6.485 4.759 1.388 688 HD13 LEU 94 3HD1 LEU 94 -5.423 6.150 1.168 689 HD21 LEU 94 1HD2 LEU 94 -5.798 4.316 4.729 690 HD22 LEU 94 2HD2 LEU 94 -6.180 3.663 3.136 691 HD23 LEU 94 3HD2 LEU 94 -7.431 4.473 4.081 692 H ASN 95 H ASN 95 -5.901 9.188 2.575 693 HA ASN 95 HA ASN 95 -6.943 9.898 5.235 694 HB2 ASN 95 1HB ASN 95 -6.032 11.815 4.061 695 HB3 ASN 95 2HB ASN 95 -7.003 11.448 2.638 696 HD21 ASN 95 1HD2 ASN 95 -7.754 13.644 2.878 697 HD22 ASN 95 2HD2 ASN 95 -9.041 13.986 3.978 698 H VAL 96 H VAL 96 -8.912 9.222 5.751 699 HA VAL 96 HA VAL 96 -10.761 8.487 3.575 700 HB VAL 96 HB VAL 96 -10.603 7.201 6.304 701 HG11 VAL 96 1HG1 VAL 96 -12.046 5.475 5.002 702 HG12 VAL 96 2HG1 VAL 96 -12.803 6.936 5.641 703 HG13 VAL 96 3HG1 VAL 96 -12.384 6.834 3.930 704 HG21 VAL 96 1HG2 VAL 96 -8.676 6.763 4.692 705 HG22 VAL 96 2HG2 VAL 96 -9.525 5.354 5.329 706 HG23 VAL 96 3HG2 VAL 96 -9.858 5.918 3.692 707 H SER 97 H SER 97 -12.296 9.989 3.460 708 HA SER 97 HA SER 97 -13.221 11.301 5.909 709 HB2 SER 97 1HB SER 97 -12.532 12.615 3.831 710 HB3 SER 97 2HB SER 97 -14.010 12.011 3.082 711 HG SER 97 HG SER 97 -14.946 12.899 5.216 712 H SER 98 H SER 98 -15.435 11.451 6.431 713 HA SER 98 HA SER 98 -16.957 9.108 5.630 714 HB2 SER 98 1HB SER 98 -16.656 10.100 8.050 715 HB3 SER 98 2HB SER 98 -17.991 11.146 7.567 716 HG SER 98 HG SER 98 -18.193 8.382 7.142 717 H GLY 99 H GLY 99 -18.863 9.119 4.523 718 HA2 GLY 99 1HA GLY 99 -19.427 11.482 2.956 719 HA3 GLY 99 2HA GLY 99 -20.209 9.915 2.805 720 HA PRO 100 HA PRO 100 -22.926 13.112 5.027 721 HB2 PRO 100 1HB PRO 100 -24.729 13.510 3.037 722 HB3 PRO 100 2HB PRO 100 -23.272 14.493 3.223 723 HG2 PRO 100 1HG PRO 100 -23.777 12.183 1.386 724 HG3 PRO 100 2HG PRO 100 -22.967 13.725 1.049 725 HD2 PRO 100 1HD PRO 100 -21.601 11.437 1.528 726 HD3 PRO 100 2HD PRO 100 -20.983 13.034 1.995 727 H SER 101 H SER 101 -23.713 11.537 6.385 728 HA SER 101 HA SER 101 -25.065 9.211 5.624 729 HB2 SER 101 1HB SER 101 -24.923 10.806 8.157 730 HB3 SER 101 2HB SER 101 -26.076 9.477 8.034 731 HG SER 101 HG SER 101 -24.276 8.131 7.460 732 H SER 102 H SER 102 -26.475 12.214 6.938 733 HA SER 102 HA SER 102 -29.083 11.422 5.890 734 HB2 SER 102 1HB SER 102 -28.697 12.354 8.257 735 HB3 SER 102 2HB SER 102 -28.503 13.922 7.473 736 HG SER 102 HG SER 102 -30.768 12.536 8.011 737 H GLY 103 H GLY 103 -27.017 14.335 5.850 738 HA2 GLY 103 1HA GLY 103 -26.926 14.837 3.183 739 HA3 GLY 103 2HA GLY 103 -28.499 15.466 3.649 Start of MODEL 6 1 H1 GLY 1 H GLY 1 34.831 7.427 -12.868 2 HA2 GLY 1 1HA GLY 1 33.944 4.843 -13.323 3 HA3 GLY 1 2HA GLY 1 33.091 5.399 -11.891 4 H SER 2 H SER 2 31.063 5.536 -12.744 5 HA SER 2 HA SER 2 30.519 7.831 -14.395 6 HB2 SER 2 1HB SER 2 31.070 5.872 -15.976 7 HB3 SER 2 2HB SER 2 29.533 5.187 -15.451 8 HG SER 2 HG SER 2 29.638 6.663 -17.403 9 H SER 3 H SER 3 28.766 8.754 -13.582 10 HA SER 3 HA SER 3 27.120 7.401 -11.675 11 HB2 SER 3 1HB SER 3 27.773 9.940 -11.848 12 HB3 SER 3 2HB SER 3 26.350 10.033 -12.886 13 HG SER 3 HG SER 3 25.075 9.469 -11.212 14 H GLY 4 H GLY 4 25.658 5.946 -12.287 15 HA2 GLY 4 1HA GLY 4 24.174 6.404 -14.790 16 HA3 GLY 4 2HA GLY 4 24.391 4.843 -14.013 17 H SER 5 H SER 5 23.617 5.186 -11.486 18 HA SER 5 HA SER 5 21.240 6.715 -11.167 19 HB2 SER 5 1HB SER 5 19.602 4.919 -11.136 20 HB3 SER 5 2HB SER 5 20.398 4.952 -12.709 21 HG SER 5 HG SER 5 20.445 2.854 -12.125 22 H SER 6 H SER 6 20.209 6.342 -9.082 23 HA SER 6 HA SER 6 21.512 4.590 -7.194 24 HB2 SER 6 1HB SER 6 21.726 7.593 -6.868 25 HB3 SER 6 2HB SER 6 22.188 6.401 -5.653 26 HG SER 6 HG SER 6 23.481 7.164 -7.977 27 H GLY 7 H GLY 7 20.237 4.130 -5.448 28 HA2 GLY 7 1HA GLY 7 18.408 5.399 -4.042 29 HA3 GLY 7 2HA GLY 7 17.524 5.221 -5.550 30 HA PRO 8 HA PRO 8 16.790 1.498 -2.821 31 HB2 PRO 8 1HB PRO 8 14.081 1.675 -2.851 32 HB3 PRO 8 2HB PRO 8 15.084 2.510 -1.660 33 HG2 PRO 8 1HG PRO 8 13.835 3.574 -4.163 34 HG3 PRO 8 2HG PRO 8 13.931 4.319 -2.557 35 HD2 PRO 8 1HD PRO 8 15.595 5.002 -4.580 36 HD3 PRO 8 2HD PRO 8 16.099 5.032 -2.878 37 H PHE 9 H PHE 9 14.919 -0.223 -3.385 38 HA PHE 9 HA PHE 9 15.265 -0.780 -6.244 39 HB2 PHE 9 1HB PHE 9 14.673 -2.567 -3.886 40 HB3 PHE 9 2HB PHE 9 14.563 -3.125 -5.552 41 HD1 PHE 9 2HD PHE 9 16.820 -2.021 -2.890 42 HD2 PHE 9 1HD PHE 9 16.536 -3.488 -6.875 43 HE1 PHE 9 2HE PHE 9 19.231 -2.510 -2.878 44 HE2 PHE 9 1HE PHE 9 18.947 -3.981 -6.869 45 HZ PHE 9 HZ PHE 9 20.298 -3.491 -4.869 46 H ILE 10 H ILE 10 13.328 1.111 -5.556 47 HA ILE 10 HA ILE 10 10.857 -0.348 -6.224 48 HB ILE 10 HB ILE 10 11.029 2.153 -4.540 49 HG12 ILE 10 1HG1 ILE 10 9.991 -0.449 -3.511 50 HG13 ILE 10 2HG1 ILE 10 11.734 -0.238 -3.626 51 HG21 ILE 10 1HG2 ILE 10 8.749 0.532 -5.605 52 HG22 ILE 10 2HG2 ILE 10 8.575 1.469 -4.122 53 HG23 ILE 10 3HG2 ILE 10 8.985 2.279 -5.634 54 HD11 ILE 10 1HD1 ILE 10 10.541 0.334 -1.420 55 HD12 ILE 10 2HD1 ILE 10 11.758 1.449 -2.044 56 HD13 ILE 10 3HD1 ILE 10 10.044 1.807 -2.253 57 H MET 11 H MET 11 11.086 0.007 -8.432 58 HA MET 11 HA MET 11 11.795 2.329 -9.732 59 HB2 MET 11 1HB MET 11 10.541 1.485 -11.657 60 HB3 MET 11 2HB MET 11 11.452 0.196 -10.883 61 HG2 MET 11 1HG MET 11 9.429 -0.585 -9.776 62 HG3 MET 11 2HG MET 11 8.511 0.722 -10.522 63 HE1 MET 11 1HE MET 11 10.324 -2.732 -11.093 64 HE2 MET 11 2HE MET 11 10.437 -2.763 -12.853 65 HE3 MET 11 3HE MET 11 11.351 -1.568 -11.932 66 H ASP 12 H ASP 12 8.635 1.402 -8.457 67 HA ASP 12 HA ASP 12 7.750 4.182 -8.859 68 HB2 ASP 12 1HB ASP 12 6.484 2.985 -10.446 69 HB3 ASP 12 2HB ASP 12 6.243 1.624 -9.353 70 H ALA 13 H ALA 13 7.629 5.107 -6.927 71 HA ALA 13 HA ALA 13 6.899 3.491 -4.595 72 HB1 ALA 13 1HB ALA 13 7.589 5.656 -3.377 73 HB2 ALA 13 2HB ALA 13 8.847 4.665 -4.118 74 HB3 ALA 13 3HB ALA 13 8.283 6.126 -4.929 75 HA PRO 14 HA PRO 14 2.829 5.162 -4.410 76 HB2 PRO 14 1HB PRO 14 2.337 4.809 -1.764 77 HB3 PRO 14 2HB PRO 14 2.366 3.474 -2.922 78 HG2 PRO 14 1HG PRO 14 4.496 4.384 -1.025 79 HG3 PRO 14 2HG PRO 14 3.971 2.734 -1.410 80 HD2 PRO 14 1HD PRO 14 6.197 3.841 -2.483 81 HD3 PRO 14 2HD PRO 14 5.199 2.662 -3.359 82 H ARG 15 H ARG 15 1.622 6.937 -3.591 83 HA ARG 15 HA ARG 15 3.149 8.919 -2.051 84 HB2 ARG 15 1HB ARG 15 2.557 10.692 -3.525 85 HB3 ARG 15 2HB ARG 15 3.215 9.403 -4.524 86 HG2 ARG 15 1HG ARG 15 0.862 8.692 -5.000 87 HG3 ARG 15 2HG ARG 15 0.327 10.159 -4.177 88 HD2 ARG 15 1HD ARG 15 0.367 10.830 -6.388 89 HD3 ARG 15 2HD ARG 15 1.947 11.358 -5.811 90 HE ARG 15 HE ARG 15 2.388 8.854 -6.798 91 HH11 ARG 15 2HH1 ARG 15 1.025 11.794 -8.071 92 HH12 ARG 15 1HH1 ARG 15 1.525 11.474 -9.699 93 HH21 ARG 15 2HH2 ARG 15 3.051 8.421 -8.937 94 HH22 ARG 15 1HH2 ARG 15 2.676 9.555 -10.190 95 H ASP 16 H ASP 16 1.764 10.638 -1.132 96 HA ASP 16 HA ASP 16 -0.256 9.688 0.446 97 HB2 ASP 16 1HB ASP 16 -0.690 11.890 1.069 98 HB3 ASP 16 2HB ASP 16 0.958 11.988 0.455 99 H LEU 17 H LEU 17 -2.305 9.090 0.168 100 HA LEU 17 HA LEU 17 -3.683 9.933 -2.295 101 HB2 LEU 17 1HB LEU 17 -3.136 7.640 -2.565 102 HB3 LEU 17 2HB LEU 17 -3.664 7.255 -0.928 103 HG LEU 17 HG LEU 17 -6.000 7.764 -1.634 104 HD11 LEU 17 1HD1 LEU 17 -6.436 8.727 -3.580 105 HD12 LEU 17 2HD1 LEU 17 -5.622 7.424 -4.444 106 HD13 LEU 17 3HD1 LEU 17 -4.703 8.825 -3.895 107 HD21 LEU 17 1HD2 LEU 17 -5.829 5.522 -1.650 108 HD22 LEU 17 2HD2 LEU 17 -4.334 5.536 -2.586 109 HD23 LEU 17 3HD2 LEU 17 -5.888 5.718 -3.402 110 H ASN 18 H ASN 18 -5.633 10.836 -2.047 111 HA ASN 18 HA ASN 18 -6.849 10.743 0.634 112 HB2 ASN 18 1HB ASN 18 -7.922 12.917 -0.005 113 HB3 ASN 18 2HB ASN 18 -6.166 12.988 0.106 114 HD21 ASN 18 1HD2 ASN 18 -7.164 14.974 -1.211 115 HD22 ASN 18 2HD2 ASN 18 -7.005 14.797 -2.923 116 H ILE 19 H ILE 19 -8.481 9.342 0.656 117 HA ILE 19 HA ILE 19 -10.422 9.444 -1.556 118 HB ILE 19 HB ILE 19 -9.073 7.383 -1.720 119 HG12 ILE 19 1HG1 ILE 19 -11.832 6.621 -0.791 120 HG13 ILE 19 2HG1 ILE 19 -11.594 7.564 -2.258 121 HG21 ILE 19 1HG2 ILE 19 -8.530 7.114 0.640 122 HG22 ILE 19 2HG2 ILE 19 -10.218 6.756 0.997 123 HG23 ILE 19 3HG2 ILE 19 -9.276 5.651 -0.003 124 HD11 ILE 19 1HD1 ILE 19 -11.695 4.871 -2.167 125 HD12 ILE 19 2HD1 ILE 19 -10.869 5.795 -3.422 126 HD13 ILE 19 3HD1 ILE 19 -9.956 5.140 -2.064 127 H SER 20 H SER 20 -12.595 8.754 -0.972 128 HA SER 20 HA SER 20 -13.308 9.726 1.662 129 HB2 SER 20 1HB SER 20 -14.979 8.852 -0.703 130 HB3 SER 20 2HB SER 20 -15.659 9.435 0.815 131 HG SER 20 HG SER 20 -14.318 10.824 -1.192 132 H GLU 21 H GLU 21 -14.835 8.556 3.037 133 HA GLU 21 HA GLU 21 -13.945 5.922 3.569 134 HB2 GLU 21 1HB GLU 21 -14.714 7.300 5.383 135 HB3 GLU 21 2HB GLU 21 -16.290 7.499 4.630 136 HG2 GLU 21 1HG GLU 21 -16.358 4.883 4.826 137 HG3 GLU 21 2HG GLU 21 -15.166 5.169 6.093 138 H GLY 22 H GLY 22 -14.738 3.973 3.008 139 HA2 GLY 22 1HA GLY 22 -16.190 2.386 2.152 140 HA3 GLY 22 2HA GLY 22 -17.424 3.631 2.036 141 H ARG 23 H ARG 23 -14.195 3.569 0.579 142 HA ARG 23 HA ARG 23 -15.427 3.298 -2.069 143 HB2 ARG 23 1HB ARG 23 -13.490 5.468 -1.250 144 HB3 ARG 23 2HB ARG 23 -13.931 5.113 -2.915 145 HG2 ARG 23 1HG ARG 23 -16.374 5.449 -1.948 146 HG3 ARG 23 2HG ARG 23 -15.497 6.431 -0.774 147 HD2 ARG 23 1HD ARG 23 -14.556 7.780 -2.536 148 HD3 ARG 23 2HD ARG 23 -15.270 6.736 -3.764 149 HE ARG 23 HE ARG 23 -16.563 8.852 -2.341 150 HH11 ARG 23 2HH1 ARG 23 -17.069 5.791 -3.921 151 HH12 ARG 23 1HH1 ARG 23 -18.734 6.105 -4.283 152 HH21 ARG 23 2HH2 ARG 23 -18.754 9.277 -2.812 153 HH22 ARG 23 1HH2 ARG 23 -19.691 8.089 -3.652 154 H MET 24 H MET 24 -13.733 2.939 -3.786 155 HA MET 24 HA MET 24 -11.857 0.951 -2.807 156 HB2 MET 24 1HB MET 24 -13.430 0.829 -4.914 157 HB3 MET 24 2HB MET 24 -12.107 1.685 -5.696 158 HG2 MET 24 1HG MET 24 -10.589 -0.090 -5.247 159 HG3 MET 24 2HG MET 24 -11.758 -0.901 -4.207 160 HE1 MET 24 1HE MET 24 -11.273 -2.873 -5.118 161 HE2 MET 24 2HE MET 24 -12.614 -3.525 -6.061 162 HE3 MET 24 3HE MET 24 -11.051 -3.241 -6.829 163 H ALA 25 H ALA 25 -9.759 1.301 -2.507 164 HA ALA 25 HA ALA 25 -8.512 3.611 -3.847 165 HB1 ALA 25 1HB ALA 25 -7.672 4.432 -1.929 166 HB2 ALA 25 2HB ALA 25 -8.995 3.531 -1.187 167 HB3 ALA 25 3HB ALA 25 -7.377 2.831 -1.250 168 H GLU 26 H GLU 26 -6.042 3.430 -3.759 169 HA GLU 26 HA GLU 26 -4.938 0.780 -3.659 170 HB2 GLU 26 1HB GLU 26 -5.214 2.166 -6.332 171 HB3 GLU 26 2HB GLU 26 -4.230 0.739 -6.038 172 HG2 GLU 26 1HG GLU 26 -6.331 -0.421 -5.287 173 HG3 GLU 26 2HG GLU 26 -7.221 0.974 -5.896 174 H LEU 27 H LEU 27 -2.682 0.767 -3.683 175 HA LEU 27 HA LEU 27 -1.455 3.435 -3.496 176 HB2 LEU 27 1HB LEU 27 -0.835 0.817 -2.170 177 HB3 LEU 27 2HB LEU 27 0.359 2.111 -2.248 178 HG LEU 27 HG LEU 27 -2.354 2.595 -1.068 179 HD11 LEU 27 1HD1 LEU 27 -0.635 0.655 -0.095 180 HD12 LEU 27 2HD1 LEU 27 -1.930 1.456 0.794 181 HD13 LEU 27 3HD1 LEU 27 -0.282 2.077 0.887 182 HD21 LEU 27 1HD2 LEU 27 0.368 3.841 -0.710 183 HD22 LEU 27 2HD2 LEU 27 -1.065 4.276 0.221 184 HD23 LEU 27 3HD2 LEU 27 -1.029 4.550 -1.521 185 H LYS 28 H LYS 28 -0.368 3.978 -5.261 186 HA LYS 28 HA LYS 28 0.490 2.174 -7.245 187 HB2 LYS 28 1HB LYS 28 1.377 5.013 -6.702 188 HB3 LYS 28 2HB LYS 28 1.725 4.115 -8.174 189 HG2 LYS 28 1HG LYS 28 -0.096 5.279 -8.866 190 HG3 LYS 28 2HG LYS 28 -0.903 3.852 -8.211 191 HD2 LYS 28 1HD LYS 28 -1.709 4.976 -6.389 192 HD3 LYS 28 2HD LYS 28 -0.367 6.122 -6.367 193 HE2 LYS 28 1HE LYS 28 -2.529 6.097 -8.467 194 HE3 LYS 28 2HE LYS 28 -2.576 7.102 -7.019 195 HZ1 LYS 28 1HZ LYS 28 -0.140 7.285 -8.576 196 HZ2 LYS 28 2HZ LYS 28 -1.051 8.507 -7.842 197 HZ3 LYS 28 3HZ LYS 28 -1.524 7.884 -9.342 198 H CYS 29 H CYS 29 1.931 0.624 -6.774 199 HA CYS 29 HA CYS 29 4.622 1.423 -6.072 200 HB2 CYS 29 1HB CYS 29 3.297 0.981 -3.905 201 HB3 CYS 29 2HB CYS 29 3.339 -0.712 -4.382 202 HG CYS 29 HG CYS 29 6.263 -0.555 -4.575 203 H ARG 30 H ARG 30 5.999 0.300 -7.276 204 HA ARG 30 HA ARG 30 5.167 -2.356 -8.247 205 HB2 ARG 30 1HB ARG 30 6.788 -0.285 -9.741 206 HB3 ARG 30 2HB ARG 30 6.376 -1.889 -10.333 207 HG2 ARG 30 1HG ARG 30 3.937 -1.165 -10.015 208 HG3 ARG 30 2HG ARG 30 4.587 0.473 -9.913 209 HD2 ARG 30 1HD ARG 30 5.091 -1.427 -12.199 210 HD3 ARG 30 2HD ARG 30 3.843 -0.181 -12.196 211 HE ARG 30 HE ARG 30 6.530 0.757 -11.678 212 HH11 ARG 30 2HH1 ARG 30 4.057 0.158 -14.054 213 HH12 ARG 30 1HH1 ARG 30 4.717 1.266 -15.211 214 HH21 ARG 30 2HH2 ARG 30 7.409 2.218 -13.193 215 HH22 ARG 30 1HH2 ARG 30 6.625 2.436 -14.721 216 H THR 31 H THR 31 6.616 -3.986 -8.096 217 HA THR 31 HA THR 31 9.312 -3.316 -7.108 218 HB THR 31 HB THR 31 9.231 -5.498 -5.849 219 HG1 THR 31 1HG THR 31 6.496 -5.300 -6.610 220 HG21 THR 31 1HG2 THR 31 7.057 -4.098 -4.551 221 HG22 THR 31 2HG2 THR 31 8.280 -2.974 -5.144 222 HG23 THR 31 3HG2 THR 31 8.737 -4.276 -4.047 223 HA PRO 32 HA PRO 32 10.940 -5.757 -10.377 224 HB2 PRO 32 1HB PRO 32 13.229 -6.666 -9.235 225 HB3 PRO 32 2HB PRO 32 13.012 -4.989 -9.747 226 HG2 PRO 32 1HG PRO 32 12.767 -6.180 -7.012 227 HG3 PRO 32 2HG PRO 32 13.540 -4.662 -7.506 228 HD2 PRO 32 1HD PRO 32 11.067 -4.747 -6.407 229 HD3 PRO 32 2HD PRO 32 11.535 -3.529 -7.611 230 HA PRO 33 HA PRO 33 10.024 -10.034 -9.931 231 HB2 PRO 33 1HB PRO 33 11.969 -11.245 -11.387 232 HB3 PRO 33 2HB PRO 33 10.653 -10.322 -12.122 233 HG2 PRO 33 1HG PRO 33 13.471 -9.484 -11.559 234 HG3 PRO 33 2HG PRO 33 12.483 -9.190 -13.002 235 HD2 PRO 33 1HD PRO 33 12.860 -7.312 -11.088 236 HD3 PRO 33 2HD PRO 33 11.359 -7.429 -12.029 237 H MET 34 H MET 34 10.542 -11.934 -8.822 238 HA MET 34 HA MET 34 11.514 -13.222 -7.220 239 HB2 MET 34 1HB MET 34 14.069 -11.897 -8.147 240 HB3 MET 34 2HB MET 34 13.963 -13.352 -7.165 241 HG2 MET 34 1HG MET 34 12.536 -14.224 -9.186 242 HG3 MET 34 2HG MET 34 13.412 -12.970 -10.060 243 HE1 MET 34 1HE MET 34 15.033 -16.569 -10.845 244 HE2 MET 34 2HE MET 34 13.356 -16.081 -10.605 245 HE3 MET 34 3HE MET 34 14.410 -15.131 -11.653 246 H SER 35 H SER 35 10.405 -10.753 -6.437 247 HA SER 35 HA SER 35 12.042 -10.193 -4.060 248 HB2 SER 35 1HB SER 35 11.660 -7.849 -4.208 249 HB3 SER 35 2HB SER 35 12.171 -8.353 -5.818 250 HG SER 35 HG SER 35 9.518 -7.861 -4.940 251 H SER 36 H SER 36 10.932 -9.907 -2.160 252 HA SER 36 HA SER 36 8.210 -10.881 -2.138 253 HB2 SER 36 1HB SER 36 9.592 -11.773 -0.422 254 HB3 SER 36 2HB SER 36 10.182 -10.175 0.036 255 HG SER 36 HG SER 36 8.638 -10.279 1.461 256 H VAL 37 H VAL 37 6.411 -9.709 -1.890 257 HA VAL 37 HA VAL 37 6.717 -6.816 -1.435 258 HB VAL 37 HB VAL 37 4.505 -8.316 -2.843 259 HG11 VAL 37 1HG1 VAL 37 3.208 -6.502 -2.757 260 HG12 VAL 37 2HG1 VAL 37 4.276 -5.934 -1.472 261 HG13 VAL 37 3HG1 VAL 37 4.550 -5.425 -3.138 262 HG21 VAL 37 1HG2 VAL 37 6.902 -6.816 -3.746 263 HG22 VAL 37 2HG2 VAL 37 6.130 -8.242 -4.440 264 HG23 VAL 37 3HG2 VAL 37 5.422 -6.647 -4.691 265 H LYS 38 H LYS 38 5.966 -5.997 0.398 266 HA LYS 38 HA LYS 38 3.693 -7.266 1.732 267 HB2 LYS 38 1HB LYS 38 6.389 -6.753 2.980 268 HB3 LYS 38 2HB LYS 38 4.928 -6.942 3.941 269 HG2 LYS 38 1HG LYS 38 4.686 -9.160 2.562 270 HG3 LYS 38 2HG LYS 38 6.426 -8.958 2.347 271 HD2 LYS 38 1HD LYS 38 5.055 -8.909 5.031 272 HD3 LYS 38 2HD LYS 38 5.758 -10.362 4.316 273 HE2 LYS 38 1HE LYS 38 7.902 -8.943 4.101 274 HE3 LYS 38 2HE LYS 38 7.128 -7.870 5.266 275 HZ1 LYS 38 1HZ LYS 38 7.331 -10.756 5.820 276 HZ2 LYS 38 2HZ LYS 38 7.188 -9.469 6.908 277 HZ3 LYS 38 3HZ LYS 38 8.655 -9.742 6.111 278 H TRP 39 H TRP 39 2.775 -5.880 3.457 279 HA TRP 39 HA TRP 39 3.425 -3.039 3.174 280 HB2 TRP 39 1HB TRP 39 0.737 -4.300 2.666 281 HB3 TRP 39 2HB TRP 39 0.893 -2.606 3.121 282 HD1 TRP 39 HD TRP 39 1.832 -5.018 0.268 283 HE1 TRP 39 1HE TRP 39 2.199 -3.633 -1.871 284 HE3 TRP 39 3HE TRP 39 1.427 -0.326 2.259 285 HZ2 TRP 39 2HZ TRP 39 2.304 -0.912 -2.614 286 HZ3 TRP 39 3HZ TRP 39 1.674 1.614 0.767 287 HH2 TRP 39 HH TRP 39 2.104 1.325 -1.620 288 H LEU 40 H LEU 40 3.346 -1.944 5.049 289 HA LEU 40 HA LEU 40 2.388 -3.395 7.413 290 HB2 LEU 40 1HB LEU 40 4.781 -2.530 7.203 291 HB3 LEU 40 2HB LEU 40 4.092 -0.922 7.416 292 HG LEU 40 HG LEU 40 3.519 -3.028 9.452 293 HD11 LEU 40 1HD1 LEU 40 6.101 -1.507 9.170 294 HD12 LEU 40 2HD1 LEU 40 5.878 -3.254 9.259 295 HD13 LEU 40 3HD1 LEU 40 5.563 -2.252 10.676 296 HD21 LEU 40 1HD2 LEU 40 2.977 -1.276 10.795 297 HD22 LEU 40 2HD2 LEU 40 2.648 -0.528 9.232 298 HD23 LEU 40 3HD2 LEU 40 4.169 -0.200 10.064 299 H LEU 41 H LEU 41 1.095 -2.365 8.974 300 HA LEU 41 HA LEU 41 -0.466 -0.113 7.910 301 HB2 LEU 41 1HB LEU 41 -1.234 -2.022 10.109 302 HB3 LEU 41 2HB LEU 41 -2.271 -0.838 9.316 303 HG LEU 41 HG LEU 41 -2.888 -2.959 8.473 304 HD11 LEU 41 1HD1 LEU 41 -2.520 -2.722 6.133 305 HD12 LEU 41 2HD1 LEU 41 -1.043 -1.795 6.398 306 HD13 LEU 41 3HD1 LEU 41 -2.608 -1.100 6.821 307 HD21 LEU 41 1HD2 LEU 41 -0.678 -4.015 9.203 308 HD22 LEU 41 2HD2 LEU 41 -0.065 -3.525 7.623 309 HD23 LEU 41 3HD2 LEU 41 -1.431 -4.635 7.734 310 HA PRO 42 HA PRO 42 0.919 2.591 11.081 311 HB2 PRO 42 1HB PRO 42 -1.288 4.130 11.443 312 HB3 PRO 42 2HB PRO 42 -0.259 4.248 10.011 313 HG2 PRO 42 1HG PRO 42 -2.860 2.807 10.362 314 HG3 PRO 42 2HG PRO 42 -2.308 3.804 9.003 315 HD2 PRO 42 1HD PRO 42 -2.244 1.097 8.944 316 HD3 PRO 42 2HD PRO 42 -1.045 2.099 8.102 317 H ASN 43 H ASN 43 -1.182 0.141 11.664 318 HA ASN 43 HA ASN 43 -1.853 0.959 14.391 319 HB2 ASN 43 1HB ASN 43 -3.760 -0.018 13.583 320 HB3 ASN 43 2HB ASN 43 -2.880 -1.086 12.494 321 HD21 ASN 43 1HD2 ASN 43 -2.443 -3.117 13.115 322 HD22 ASN 43 2HD2 ASN 43 -2.851 -3.779 14.658 323 H GLY 44 H GLY 44 -0.087 -1.548 12.622 324 HA2 GLY 44 1HA GLY 44 2.104 -2.011 13.887 325 HA3 GLY 44 2HA GLY 44 1.019 -2.511 15.176 326 H THR 45 H THR 45 0.669 -3.069 11.700 327 HA THR 45 HA THR 45 1.300 -5.896 12.056 328 HB THR 45 HB THR 45 -1.306 -5.088 10.767 329 HG1 THR 45 1HG THR 45 -2.136 -5.005 12.704 330 HG21 THR 45 1HG2 THR 45 0.018 -7.682 11.478 331 HG22 THR 45 2HG2 THR 45 -0.729 -7.192 9.958 332 HG23 THR 45 3HG2 THR 45 -1.737 -7.578 11.352 333 H VAL 46 H VAL 46 1.174 -7.061 9.888 334 HA VAL 46 HA VAL 46 1.628 -5.321 7.590 335 HB VAL 46 HB VAL 46 3.685 -7.324 8.535 336 HG11 VAL 46 1HG1 VAL 46 4.354 -5.563 6.297 337 HG12 VAL 46 2HG1 VAL 46 4.649 -7.290 6.513 338 HG13 VAL 46 3HG1 VAL 46 3.079 -6.727 5.939 339 HG21 VAL 46 1HG2 VAL 46 4.107 -4.384 8.104 340 HG22 VAL 46 2HG2 VAL 46 3.534 -5.017 9.648 341 HG23 VAL 46 3HG2 VAL 46 5.100 -5.524 9.014 342 H LEU 47 H LEU 47 0.636 -6.132 5.868 343 HA LEU 47 HA LEU 47 -0.167 -8.951 5.907 344 HB2 LEU 47 1HB LEU 47 -1.182 -6.546 4.422 345 HB3 LEU 47 2HB LEU 47 -1.652 -8.186 3.979 346 HG LEU 47 HG LEU 47 -2.166 -6.886 6.654 347 HD11 LEU 47 1HD1 LEU 47 -3.836 -7.219 4.192 348 HD12 LEU 47 2HD1 LEU 47 -3.607 -5.791 5.201 349 HD13 LEU 47 3HD1 LEU 47 -4.581 -7.139 5.789 350 HD21 LEU 47 1HD2 LEU 47 -2.219 -9.621 5.774 351 HD22 LEU 47 2HD2 LEU 47 -3.839 -9.091 6.227 352 HD23 LEU 47 3HD2 LEU 47 -2.511 -8.955 7.381 353 H SER 48 H SER 48 0.037 -10.251 4.013 354 HA SER 48 HA SER 48 1.903 -9.289 1.973 355 HB2 SER 48 1HB SER 48 3.217 -11.397 2.147 356 HB3 SER 48 2HB SER 48 3.332 -10.399 3.596 357 HG SER 48 HG SER 48 2.922 -12.420 4.327 358 H HIS 49 H HIS 49 2.002 -10.731 0.080 359 HA HIS 49 HA HIS 49 -0.292 -11.200 -1.187 360 HB2 HIS 49 1HB HIS 49 2.036 -11.617 -2.077 361 HB3 HIS 49 2HB HIS 49 1.955 -13.213 -1.337 362 HD1 HIS 49 1HD HIS 49 0.079 -11.150 -3.915 363 HD2 HIS 49 2HD HIS 49 0.829 -15.113 -2.918 364 HE1 HIS 49 1HE HIS 49 -0.931 -12.513 -5.771 365 HE2 HIS 49 2HE HIS 49 -0.540 -14.909 -5.103 366 H ALA 50 H ALA 50 1.191 -13.494 1.069 367 HA ALA 50 HA ALA 50 -0.594 -15.609 0.770 368 HB1 ALA 50 1HB ALA 50 0.694 -16.534 2.324 369 HB2 ALA 50 2HB ALA 50 1.562 -15.002 2.436 370 HB3 ALA 50 3HB ALA 50 0.211 -15.331 3.520 371 H SER 51 H SER 51 -0.710 -12.909 3.091 372 HA SER 51 HA SER 51 -2.837 -13.426 4.620 373 HB2 SER 51 1HB SER 51 -3.247 -11.096 4.824 374 HB3 SER 51 2HB SER 51 -1.532 -11.237 4.441 375 HG SER 51 HG SER 51 -3.025 -9.686 3.213 376 H ARG 52 H ARG 52 -5.103 -13.190 4.540 377 HA ARG 52 HA ARG 52 -6.227 -13.403 1.824 378 HB2 ARG 52 1HB ARG 52 -6.316 -15.410 3.470 379 HB3 ARG 52 2HB ARG 52 -7.579 -14.488 4.275 380 HG2 ARG 52 1HG ARG 52 -8.836 -14.425 2.148 381 HG3 ARG 52 2HG ARG 52 -7.595 -15.449 1.423 382 HD2 ARG 52 1HD ARG 52 -9.117 -17.040 2.048 383 HD3 ARG 52 2HD ARG 52 -8.117 -16.979 3.499 384 HE ARG 52 HE ARG 52 -9.933 -16.217 4.644 385 HH11 ARG 52 2HH1 ARG 52 -10.430 -15.614 1.251 386 HH12 ARG 52 1HH1 ARG 52 -12.047 -15.029 1.459 387 HH21 ARG 52 2HH2 ARG 52 -12.062 -15.448 4.930 388 HH22 ARG 52 1HH2 ARG 52 -12.974 -14.934 3.552 389 H HIS 53 H HIS 53 -5.776 -11.025 3.647 390 HA HIS 53 HA HIS 53 -8.161 -10.069 4.706 391 HB2 HIS 53 1HB HIS 53 -5.715 -9.095 4.728 392 HB3 HIS 53 2HB HIS 53 -6.286 -8.183 3.334 393 HD1 HIS 53 1HD HIS 53 -8.603 -6.779 3.857 394 HD2 HIS 53 2HD HIS 53 -6.257 -7.904 7.095 395 HE1 HIS 53 1HE HIS 53 -9.318 -5.291 5.754 396 HE2 HIS 53 2HE HIS 53 -7.826 -5.932 7.679 397 HA PRO 54 HA PRO 54 -10.662 -9.497 1.100 398 HB2 PRO 54 1HB PRO 54 -12.627 -8.041 2.279 399 HB3 PRO 54 2HB PRO 54 -12.460 -9.786 2.501 400 HG2 PRO 54 1HG PRO 54 -11.587 -7.555 4.297 401 HG3 PRO 54 2HG PRO 54 -12.379 -9.085 4.717 402 HD2 PRO 54 1HD PRO 54 -9.715 -8.696 5.007 403 HD3 PRO 54 2HD PRO 54 -10.411 -10.280 4.607 404 H ARG 55 H ARG 55 -10.313 -6.651 3.232 405 HA ARG 55 HA ARG 55 -10.642 -4.798 1.083 406 HB2 ARG 55 1HB ARG 55 -9.802 -4.530 3.960 407 HB3 ARG 55 2HB ARG 55 -9.768 -3.155 2.864 408 HG2 ARG 55 1HG ARG 55 -12.172 -3.476 2.430 409 HG3 ARG 55 2HG ARG 55 -12.182 -4.796 3.602 410 HD2 ARG 55 1HD ARG 55 -11.792 -1.862 4.058 411 HD3 ARG 55 2HD ARG 55 -12.927 -2.966 4.834 412 HE ARG 55 HE ARG 55 -11.254 -3.639 6.288 413 HH11 ARG 55 2HH1 ARG 55 -9.971 -1.537 3.827 414 HH12 ARG 55 1HH1 ARG 55 -8.459 -1.295 4.639 415 HH21 ARG 55 2HH2 ARG 55 -9.268 -3.328 7.366 416 HH22 ARG 55 1HH2 ARG 55 -8.061 -2.314 6.651 417 H ILE 56 H ILE 56 -7.842 -5.271 3.244 418 HA ILE 56 HA ILE 56 -6.043 -4.006 1.436 419 HB ILE 56 HB ILE 56 -5.304 -5.822 3.728 420 HG12 ILE 56 1HG1 ILE 56 -5.874 -2.850 3.762 421 HG13 ILE 56 2HG1 ILE 56 -6.879 -4.097 4.492 422 HG21 ILE 56 1HG2 ILE 56 -3.767 -4.456 1.818 423 HG22 ILE 56 2HG2 ILE 56 -3.601 -3.554 3.323 424 HG23 ILE 56 3HG2 ILE 56 -3.202 -5.271 3.277 425 HD11 ILE 56 1HD1 ILE 56 -5.338 -4.518 6.179 426 HD12 ILE 56 2HD1 ILE 56 -4.020 -3.745 5.297 427 HD13 ILE 56 3HD1 ILE 56 -5.305 -2.764 6.000 428 H SER 57 H SER 57 -6.002 -5.023 -0.533 429 HA SER 57 HA SER 57 -5.119 -7.833 -0.555 430 HB2 SER 57 1HB SER 57 -6.579 -6.252 -2.684 431 HB3 SER 57 2HB SER 57 -6.017 -7.912 -2.873 432 HG SER 57 HG SER 57 -7.723 -8.549 -1.844 433 H VAL 58 H VAL 58 -3.159 -8.295 -1.315 434 HA VAL 58 HA VAL 58 -1.565 -6.125 -2.457 435 HB VAL 58 HB VAL 58 -0.686 -8.847 -1.482 436 HG11 VAL 58 1HG1 VAL 58 0.689 -6.658 -2.870 437 HG12 VAL 58 2HG1 VAL 58 1.515 -7.256 -1.430 438 HG13 VAL 58 3HG1 VAL 58 1.111 -8.365 -2.741 439 HG21 VAL 58 1HG2 VAL 58 0.358 -7.356 0.347 440 HG22 VAL 58 2HG2 VAL 58 -0.830 -6.159 -0.165 441 HG23 VAL 58 3HG2 VAL 58 -1.363 -7.726 0.442 442 H LEU 59 H LEU 59 -2.197 -6.050 -4.591 443 HA LEU 59 HA LEU 59 -2.656 -8.214 -6.282 444 HB2 LEU 59 1HB LEU 59 -1.521 -5.528 -7.044 445 HB3 LEU 59 2HB LEU 59 -2.334 -6.664 -8.119 446 HG LEU 59 HG LEU 59 -3.553 -5.022 -5.908 447 HD11 LEU 59 1HD1 LEU 59 -3.098 -4.049 -8.218 448 HD12 LEU 59 2HD1 LEU 59 -4.747 -3.931 -7.605 449 HD13 LEU 59 3HD1 LEU 59 -4.338 -5.159 -8.803 450 HD21 LEU 59 1HD2 LEU 59 -4.667 -7.060 -5.675 451 HD22 LEU 59 2HD2 LEU 59 -4.635 -7.384 -7.409 452 HD23 LEU 59 3HD2 LEU 59 -5.700 -6.133 -6.764 453 H ASN 60 H ASN 60 -1.355 -9.073 -8.014 454 HA ASN 60 HA ASN 60 1.070 -10.114 -7.256 455 HB2 ASN 60 1HB ASN 60 -0.265 -9.714 -9.894 456 HB3 ASN 60 2HB ASN 60 1.424 -10.213 -9.889 457 HD21 ASN 60 1HD2 ASN 60 -1.613 -11.016 -8.236 458 HD22 ASN 60 2HD2 ASN 60 -1.394 -12.728 -8.304 459 H ASP 61 H ASP 61 0.699 -7.503 -9.662 460 HA ASP 61 HA ASP 61 3.264 -6.779 -10.079 461 HB2 ASP 61 1HB ASP 61 0.987 -4.841 -9.606 462 HB3 ASP 61 2HB ASP 61 2.488 -4.474 -10.452 463 H GLY 62 H GLY 62 1.317 -5.856 -7.265 464 HA2 GLY 62 1HA GLY 62 2.650 -5.881 -5.139 465 HA3 GLY 62 2HA GLY 62 3.795 -4.861 -5.998 466 H THR 63 H THR 63 0.273 -4.653 -6.120 467 HA THR 63 HA THR 63 0.485 -1.952 -4.963 468 HB THR 63 HB THR 63 -1.582 -3.050 -6.878 469 HG1 THR 63 1HG THR 63 0.281 -0.934 -7.269 470 HG21 THR 63 1HG2 THR 63 -1.967 -0.370 -6.854 471 HG22 THR 63 2HG2 THR 63 -1.529 -0.649 -5.168 472 HG23 THR 63 3HG2 THR 63 -2.897 -1.507 -5.878 473 H LEU 64 H LEU 64 -0.955 -1.298 -3.383 474 HA LEU 64 HA LEU 64 -2.340 -3.480 -2.003 475 HB2 LEU 64 1HB LEU 64 -0.619 -1.822 -0.943 476 HB3 LEU 64 2HB LEU 64 -2.007 -0.739 -0.865 477 HG LEU 64 HG LEU 64 -3.197 -2.398 0.512 478 HD11 LEU 64 1HD1 LEU 64 -0.640 -3.936 0.172 479 HD12 LEU 64 2HD1 LEU 64 -2.292 -4.463 -0.144 480 HD13 LEU 64 3HD1 LEU 64 -1.746 -4.225 1.515 481 HD21 LEU 64 1HD2 LEU 64 -2.255 -1.662 2.438 482 HD22 LEU 64 2HD2 LEU 64 -1.395 -0.602 1.321 483 HD23 LEU 64 3HD2 LEU 64 -0.617 -2.066 1.925 484 H ASN 65 H ASN 65 -4.354 -3.696 -2.790 485 HA ASN 65 HA ASN 65 -5.937 -1.337 -3.432 486 HB2 ASN 65 1HB ASN 65 -5.975 -3.234 -4.990 487 HB3 ASN 65 2HB ASN 65 -6.586 -4.280 -3.712 488 HD21 ASN 65 1HD2 ASN 65 -7.403 -2.287 -6.255 489 HD22 ASN 65 2HD2 ASN 65 -9.090 -2.113 -5.924 490 H PHE 66 H PHE 66 -7.729 -0.671 -2.336 491 HA PHE 66 HA PHE 66 -8.359 -2.107 0.159 492 HB2 PHE 66 1HB PHE 66 -8.246 0.863 -0.372 493 HB3 PHE 66 2HB PHE 66 -9.007 0.172 1.057 494 HD1 PHE 66 1HD PHE 66 -5.784 0.236 -0.795 495 HD2 PHE 66 2HD PHE 66 -7.746 -0.244 2.952 496 HE1 PHE 66 1HE PHE 66 -3.601 0.193 0.339 497 HE2 PHE 66 2HE PHE 66 -5.566 -0.287 4.092 498 HZ PHE 66 HZ PHE 66 -3.490 -0.068 2.786 499 H SER 67 H SER 67 -10.181 -3.186 -0.348 500 HA SER 67 HA SER 67 -12.126 -2.635 -2.161 501 HB2 SER 67 1HB SER 67 -11.887 -4.622 -0.494 502 HB3 SER 67 2HB SER 67 -12.933 -3.657 0.547 503 HG SER 67 HG SER 67 -13.605 -5.175 -1.547 504 H HIS 68 H HIS 68 -12.214 -1.600 1.250 505 HA HIS 68 HA HIS 68 -13.552 0.853 0.493 506 HB2 HIS 68 1HB HIS 68 -15.473 0.525 1.966 507 HB3 HIS 68 2HB HIS 68 -15.429 -0.726 0.727 508 HD1 HIS 68 1HD HIS 68 -14.488 -3.110 1.560 509 HD2 HIS 68 2HD HIS 68 -15.551 -0.405 4.529 510 HE1 HIS 68 1HE HIS 68 -14.723 -4.474 3.660 511 HE2 HIS 68 2HE HIS 68 -15.450 -2.829 5.424 512 H VAL 69 H VAL 69 -12.138 2.196 1.437 513 HA VAL 69 HA VAL 69 -10.748 1.637 3.842 514 HB VAL 69 HB VAL 69 -10.097 4.036 3.782 515 HG11 VAL 69 1HG1 VAL 69 -9.682 2.088 1.633 516 HG12 VAL 69 2HG1 VAL 69 -9.301 3.754 1.193 517 HG13 VAL 69 3HG1 VAL 69 -8.509 3.004 2.579 518 HG21 VAL 69 1HG2 VAL 69 -11.214 5.568 2.612 519 HG22 VAL 69 2HG2 VAL 69 -11.177 4.581 1.151 520 HG23 VAL 69 3HG2 VAL 69 -12.452 4.341 2.346 521 H LEU 70 H LEU 70 -10.947 2.649 5.890 522 HA LEU 70 HA LEU 70 -13.622 3.743 6.460 523 HB2 LEU 70 1HB LEU 70 -12.055 2.049 8.383 524 HB3 LEU 70 2HB LEU 70 -13.747 2.532 8.484 525 HG LEU 70 HG LEU 70 -12.842 0.782 6.236 526 HD11 LEU 70 1HD1 LEU 70 -12.278 -0.892 7.572 527 HD12 LEU 70 2HD1 LEU 70 -13.888 -0.846 8.289 528 HD13 LEU 70 3HD1 LEU 70 -12.582 0.107 8.994 529 HD21 LEU 70 1HD2 LEU 70 -15.027 1.220 5.855 530 HD22 LEU 70 2HD2 LEU 70 -15.366 1.576 7.549 531 HD23 LEU 70 3HD2 LEU 70 -15.254 -0.099 7.005 532 H LEU 71 H LEU 71 -13.736 5.117 8.370 533 HA LEU 71 HA LEU 71 -11.831 7.137 8.391 534 HB2 LEU 71 1HB LEU 71 -13.883 6.330 10.436 535 HB3 LEU 71 2HB LEU 71 -12.885 7.772 10.605 536 HG LEU 71 HG LEU 71 -14.828 7.251 8.355 537 HD11 LEU 71 1HD1 LEU 71 -15.817 7.633 10.645 538 HD12 LEU 71 2HD1 LEU 71 -16.298 8.780 9.394 539 HD13 LEU 71 3HD1 LEU 71 -15.091 9.240 10.595 540 HD21 LEU 71 1HD2 LEU 71 -13.764 8.880 7.290 541 HD22 LEU 71 2HD2 LEU 71 -12.652 9.090 8.643 542 HD23 LEU 71 3HD2 LEU 71 -14.178 9.975 8.610 543 H SER 72 H SER 72 -11.853 4.105 10.034 544 HA SER 72 HA SER 72 -9.856 4.886 11.981 545 HB2 SER 72 1HB SER 72 -11.125 2.221 11.323 546 HB3 SER 72 2HB SER 72 -9.915 2.442 12.587 547 HG SER 72 HG SER 72 -11.446 3.135 13.830 548 H ASP 73 H ASP 73 -9.921 3.755 8.776 549 HA ASP 73 HA ASP 73 -7.385 2.401 8.818 550 HB2 ASP 73 1HB ASP 73 -9.284 3.253 6.650 551 HB3 ASP 73 2HB ASP 73 -7.674 2.660 6.252 552 H THR 74 H THR 74 -8.431 5.648 8.588 553 HA THR 74 HA THR 74 -6.512 6.859 7.010 554 HB THR 74 HB THR 74 -7.737 7.925 9.560 555 HG1 THR 74 1HG THR 74 -9.441 8.181 8.345 556 HG21 THR 74 1HG2 THR 74 -6.869 9.759 7.414 557 HG22 THR 74 2HG2 THR 74 -5.581 8.997 8.347 558 HG23 THR 74 3HG2 THR 74 -6.815 9.956 9.165 559 H GLY 75 H GLY 75 -4.382 7.191 7.163 560 HA2 GLY 75 1HA GLY 75 -2.878 7.792 9.374 561 HA3 GLY 75 2HA GLY 75 -2.912 6.036 9.336 562 H VAL 76 H VAL 76 -0.880 5.527 8.748 563 HA VAL 76 HA VAL 76 0.016 6.485 6.118 564 HB VAL 76 HB VAL 76 1.688 6.342 8.625 565 HG11 VAL 76 1HG1 VAL 76 2.625 6.804 5.795 566 HG12 VAL 76 2HG1 VAL 76 3.622 6.853 7.251 567 HG13 VAL 76 3HG1 VAL 76 2.891 5.334 6.732 568 HG21 VAL 76 1HG2 VAL 76 2.072 8.672 8.278 569 HG22 VAL 76 2HG2 VAL 76 1.273 8.629 6.706 570 HG23 VAL 76 3HG2 VAL 76 0.332 8.402 8.180 571 H TYR 77 H TYR 77 0.666 4.910 4.792 572 HA TYR 77 HA TYR 77 1.078 2.231 5.942 573 HB2 TYR 77 1HB TYR 77 0.099 3.031 3.195 574 HB3 TYR 77 2HB TYR 77 0.421 1.375 3.697 575 HD1 TYR 77 2HD TYR 77 -1.579 4.351 4.748 576 HD2 TYR 77 1HD TYR 77 -1.335 0.110 4.512 577 HE1 TYR 77 2HE TYR 77 -3.872 4.177 5.618 578 HE2 TYR 77 1HE TYR 77 -3.628 -0.076 5.381 579 HH TYR 77 HH TYR 77 -5.303 2.588 6.732 580 H THR 78 H THR 78 2.894 1.101 5.478 581 HA THR 78 HA THR 78 4.851 2.376 3.677 582 HB THR 78 HB THR 78 5.502 0.856 6.209 583 HG1 THR 78 1HG THR 78 5.192 3.602 5.646 584 HG21 THR 78 1HG2 THR 78 7.593 2.550 5.238 585 HG22 THR 78 2HG2 THR 78 7.064 1.480 3.939 586 HG23 THR 78 3HG2 THR 78 7.604 0.803 5.474 587 H CYS 79 H CYS 79 5.528 1.140 2.055 588 HA CYS 79 HA CYS 79 4.858 -1.705 2.081 589 HB2 CYS 79 1HB CYS 79 4.167 -0.296 0.149 590 HB3 CYS 79 2HB CYS 79 5.864 0.001 -0.205 591 HG CYS 79 HG CYS 79 4.916 -1.852 -2.051 592 H MET 80 H MET 80 6.335 -3.280 2.218 593 HA MET 80 HA MET 80 9.143 -2.491 2.458 594 HB2 MET 80 1HB MET 80 7.835 -5.125 3.155 595 HB3 MET 80 2HB MET 80 9.481 -4.643 3.543 596 HG2 MET 80 1HG MET 80 8.500 -2.764 4.889 597 HG3 MET 80 2HG MET 80 6.925 -3.518 4.648 598 HE1 MET 80 1HE MET 80 6.010 -4.297 6.568 599 HE2 MET 80 2HE MET 80 6.760 -5.179 7.898 600 HE3 MET 80 3HE MET 80 7.088 -3.458 7.684 601 H VAL 81 H VAL 81 10.789 -3.472 1.284 602 HA VAL 81 HA VAL 81 9.989 -5.257 -0.906 603 HB VAL 81 HB VAL 81 11.807 -2.875 -1.286 604 HG11 VAL 81 1HG1 VAL 81 11.027 -3.688 -3.758 605 HG12 VAL 81 2HG1 VAL 81 12.536 -4.164 -2.976 606 HG13 VAL 81 3HG1 VAL 81 11.131 -5.228 -2.904 607 HG21 VAL 81 1HG2 VAL 81 8.983 -2.969 -1.210 608 HG22 VAL 81 2HG2 VAL 81 10.017 -1.622 -1.686 609 HG23 VAL 81 3HG2 VAL 81 9.456 -2.774 -2.898 610 H THR 82 H THR 82 11.131 -7.055 -0.679 611 HA THR 82 HA THR 82 13.902 -6.857 0.304 612 HB THR 82 HB THR 82 12.164 -9.323 0.410 613 HG1 THR 82 1HG THR 82 11.311 -8.560 2.189 614 HG21 THR 82 1HG2 THR 82 14.919 -8.869 0.853 615 HG22 THR 82 2HG2 THR 82 14.000 -10.345 1.149 616 HG23 THR 82 3HG2 THR 82 14.180 -9.146 2.429 617 H ASN 83 H ASN 83 15.463 -7.337 -1.089 618 HA ASN 83 HA ASN 83 14.956 -9.287 -3.211 619 HB2 ASN 83 1HB ASN 83 14.567 -6.956 -4.097 620 HB3 ASN 83 2HB ASN 83 16.265 -6.621 -3.774 621 HD21 ASN 83 1HD2 ASN 83 14.048 -8.593 -5.637 622 HD22 ASN 83 2HD2 ASN 83 15.156 -8.972 -6.908 623 H VAL 84 H VAL 84 16.862 -10.238 -4.093 624 HA VAL 84 HA VAL 84 18.848 -10.843 -2.234 625 HB VAL 84 HB VAL 84 18.433 -12.341 -4.065 626 HG11 VAL 84 1HG1 VAL 84 19.188 -11.711 -6.383 627 HG12 VAL 84 2HG1 VAL 84 17.748 -10.873 -5.802 628 HG13 VAL 84 3HG1 VAL 84 19.307 -10.048 -5.809 629 HG21 VAL 84 1HG2 VAL 84 20.670 -12.858 -4.731 630 HG22 VAL 84 2HG2 VAL 84 21.195 -11.198 -4.454 631 HG23 VAL 84 3HG2 VAL 84 20.732 -12.215 -3.090 632 H ALA 85 H ALA 85 18.530 -8.136 -4.314 633 HA ALA 85 HA ALA 85 21.345 -7.457 -4.291 634 HB1 ALA 85 1HB ALA 85 20.728 -5.540 -5.597 635 HB2 ALA 85 2HB ALA 85 19.876 -6.950 -6.230 636 HB3 ALA 85 3HB ALA 85 19.020 -5.781 -5.224 637 H GLY 86 H GLY 86 18.349 -6.262 -2.807 638 HA2 GLY 86 1HA GLY 86 19.684 -5.410 -0.453 639 HA3 GLY 86 2HA GLY 86 19.358 -4.032 -1.494 640 H ASN 87 H ASN 87 18.060 -3.338 0.380 641 HA ASN 87 HA ASN 87 15.324 -4.362 0.123 642 HB2 ASN 87 1HB ASN 87 15.039 -4.116 2.601 643 HB3 ASN 87 2HB ASN 87 16.137 -5.411 2.132 644 HD21 ASN 87 1HD2 ASN 87 17.254 -5.433 4.041 645 HD22 ASN 87 2HD2 ASN 87 18.301 -4.151 4.537 646 H SER 88 H SER 88 13.750 -2.827 0.178 647 HA SER 88 HA SER 88 14.398 -0.120 1.039 648 HB2 SER 88 1HB SER 88 13.544 0.847 -1.095 649 HB3 SER 88 2HB SER 88 15.037 -0.069 -1.302 650 HG SER 88 HG SER 88 12.414 -1.024 -1.824 651 H ASN 89 H ASN 89 12.473 1.284 1.102 652 HA ASN 89 HA ASN 89 9.878 0.049 0.904 653 HB2 ASN 89 1HB ASN 89 9.438 0.712 3.399 654 HB3 ASN 89 2HB ASN 89 10.194 -0.834 3.025 655 HD21 ASN 89 1HD2 ASN 89 10.458 2.067 4.710 656 HD22 ASN 89 2HD2 ASN 89 12.086 1.889 5.262 657 H ALA 90 H ALA 90 8.199 1.537 0.892 658 HA ALA 90 HA ALA 90 9.016 4.367 1.042 659 HB1 ALA 90 1HB ALA 90 8.450 4.530 -1.100 660 HB2 ALA 90 2HB ALA 90 7.796 2.892 -1.113 661 HB3 ALA 90 3HB ALA 90 6.778 4.243 -0.616 662 H SER 91 H SER 91 7.162 5.871 1.430 663 HA SER 91 HA SER 91 5.145 4.645 3.193 664 HB2 SER 91 1HB SER 91 6.603 7.262 3.641 665 HB3 SER 91 2HB SER 91 5.312 6.623 4.658 666 HG SER 91 HG SER 91 7.869 5.479 4.210 667 H ALA 92 H ALA 92 3.219 6.039 3.534 668 HA ALA 92 HA ALA 92 2.637 8.199 1.799 669 HB1 ALA 92 1HB ALA 92 2.654 6.043 0.310 670 HB2 ALA 92 2HB ALA 92 1.053 5.800 1.008 671 HB3 ALA 92 3HB ALA 92 1.405 7.270 0.099 672 H TYR 93 H TYR 93 0.927 9.304 2.566 673 HA TYR 93 HA TYR 93 -0.504 8.162 4.830 674 HB2 TYR 93 1HB TYR 93 0.522 10.452 4.927 675 HB3 TYR 93 2HB TYR 93 -0.663 10.976 3.736 676 HD1 TYR 93 2HD TYR 93 -3.059 11.072 4.334 677 HD2 TYR 93 1HD TYR 93 -0.079 10.138 7.224 678 HE1 TYR 93 2HE TYR 93 -4.665 11.548 6.135 679 HE2 TYR 93 1HE TYR 93 -1.677 10.610 9.033 680 HH TYR 93 HH TYR 93 -3.690 11.490 9.529 681 H LEU 94 H LEU 94 -2.724 7.950 4.958 682 HA LEU 94 HA LEU 94 -4.208 8.301 2.438 683 HB2 LEU 94 1HB LEU 94 -3.868 5.973 2.661 684 HB3 LEU 94 2HB LEU 94 -4.252 6.009 4.381 685 HG LEU 94 HG LEU 94 -6.611 6.795 3.469 686 HD11 LEU 94 1HD1 LEU 94 -7.194 5.718 1.387 687 HD12 LEU 94 2HD1 LEU 94 -5.548 5.114 1.204 688 HD13 LEU 94 3HD1 LEU 94 -5.865 6.847 1.122 689 HD21 LEU 94 1HD2 LEU 94 -7.357 4.511 3.635 690 HD22 LEU 94 2HD2 LEU 94 -6.100 4.796 4.840 691 HD23 LEU 94 3HD2 LEU 94 -5.720 3.916 3.359 692 H ASN 95 H ASN 95 -5.725 9.792 2.676 693 HA ASN 95 HA ASN 95 -6.830 10.321 5.330 694 HB2 ASN 95 1HB ASN 95 -5.978 12.230 4.023 695 HB3 ASN 95 2HB ASN 95 -7.139 11.871 2.748 696 HD21 ASN 95 1HD2 ASN 95 -7.848 14.065 3.093 697 HD22 ASN 95 2HD2 ASN 95 -8.966 14.408 4.366 698 H VAL 96 H VAL 96 -8.832 9.762 5.910 699 HA VAL 96 HA VAL 96 -10.691 8.864 3.804 700 HB VAL 96 HB VAL 96 -10.565 7.726 6.596 701 HG11 VAL 96 1HG1 VAL 96 -12.734 7.587 5.423 702 HG12 VAL 96 2HG1 VAL 96 -11.941 6.716 4.109 703 HG13 VAL 96 3HG1 VAL 96 -12.016 6.004 5.721 704 HG21 VAL 96 1HG2 VAL 96 -8.516 7.305 5.130 705 HG22 VAL 96 2HG2 VAL 96 -9.328 5.894 5.807 706 HG23 VAL 96 3HG2 VAL 96 -9.587 6.334 4.120 707 H SER 97 H SER 97 -12.314 10.257 3.649 708 HA SER 97 HA SER 97 -13.257 11.617 6.081 709 HB2 SER 97 1HB SER 97 -13.602 12.374 3.170 710 HB3 SER 97 2HB SER 97 -14.262 13.276 4.534 711 HG SER 97 HG SER 97 -12.301 13.971 5.050 712 H SER 98 H SER 98 -15.235 11.228 6.849 713 HA SER 98 HA SER 98 -16.773 9.072 6.087 714 HB2 SER 98 1HB SER 98 -16.950 10.331 8.253 715 HB3 SER 98 2HB SER 98 -17.856 11.577 7.395 716 HG SER 98 HG SER 98 -19.026 9.748 8.524 717 H GLY 99 H GLY 99 -18.228 8.667 4.540 718 HA2 GLY 99 1HA GLY 99 -18.544 10.227 2.288 719 HA3 GLY 99 2HA GLY 99 -19.682 8.986 2.789 720 HA PRO 100 HA PRO 100 -21.369 13.458 3.185 721 HB2 PRO 100 1HB PRO 100 -22.671 13.679 0.813 722 HB3 PRO 100 2HB PRO 100 -21.000 14.208 1.045 723 HG2 PRO 100 1HG PRO 100 -22.032 11.671 -0.163 724 HG3 PRO 100 2HG PRO 100 -20.712 12.718 -0.716 725 HD2 PRO 100 1HD PRO 100 -20.276 10.424 0.655 726 HD3 PRO 100 2HD PRO 100 -19.213 11.838 0.798 727 H SER 101 H SER 101 -23.834 14.007 2.626 728 HA SER 101 HA SER 101 -25.459 11.600 3.088 729 HB2 SER 101 1HB SER 101 -24.904 12.995 5.206 730 HB3 SER 101 2HB SER 101 -26.047 14.165 4.546 731 HG SER 101 HG SER 101 -27.631 12.540 4.565 732 H SER 102 H SER 102 -25.618 15.100 2.443 733 HA SER 102 HA SER 102 -28.155 15.342 1.476 734 HB2 SER 102 1HB SER 102 -27.243 17.156 -0.026 735 HB3 SER 102 2HB SER 102 -26.771 17.291 1.668 736 HG SER 102 HG SER 102 -24.791 17.223 1.005 737 H GLY 103 H GLY 103 -25.294 14.446 -0.455 738 HA2 GLY 103 1HA GLY 103 -25.885 12.441 -1.947 739 HA3 GLY 103 2HA GLY 103 -27.116 13.525 -2.579 Start of MODEL 7 1 H1 GLY 1 H GLY 1 29.363 22.262 -0.703 2 HA2 GLY 1 1HA GLY 1 27.450 20.991 -1.452 3 HA3 GLY 1 2HA GLY 1 28.845 20.396 -2.340 4 H SER 2 H SER 2 27.716 18.394 -2.595 5 HA SER 2 HA SER 2 28.436 16.449 -0.678 6 HB2 SER 2 1HB SER 2 26.389 17.568 0.395 7 HB3 SER 2 2HB SER 2 25.448 16.803 -0.885 8 HG SER 2 HG SER 2 25.424 15.205 0.499 9 H SER 3 H SER 3 28.696 14.581 -1.721 10 HA SER 3 HA SER 3 27.546 14.329 -4.401 11 HB2 SER 3 1HB SER 3 29.229 12.539 -4.716 12 HB3 SER 3 2HB SER 3 29.968 14.067 -4.240 13 HG SER 3 HG SER 3 30.842 12.376 -3.028 14 H GLY 4 H GLY 4 25.740 13.946 -2.322 15 HA2 GLY 4 1HA GLY 4 25.480 11.105 -1.818 16 HA3 GLY 4 2HA GLY 4 24.380 12.366 -1.284 17 H SER 5 H SER 5 24.360 9.682 -2.973 18 HA SER 5 HA SER 5 22.368 10.691 -4.892 19 HB2 SER 5 1HB SER 5 24.566 10.000 -5.964 20 HB3 SER 5 2HB SER 5 24.196 8.352 -5.455 21 HG SER 5 HG SER 5 22.582 9.983 -7.129 22 H SER 6 H SER 6 20.429 9.817 -4.629 23 HA SER 6 HA SER 6 20.198 7.374 -3.019 24 HB2 SER 6 1HB SER 6 18.955 9.244 -2.119 25 HB3 SER 6 2HB SER 6 18.175 9.528 -3.675 26 HG SER 6 HG SER 6 17.486 7.814 -1.701 27 H GLY 7 H GLY 7 18.557 5.789 -3.624 28 HA2 GLY 7 1HA GLY 7 17.126 5.638 -5.955 29 HA3 GLY 7 2HA GLY 7 18.748 5.134 -6.409 30 HA PRO 8 HA PRO 8 16.914 1.924 -3.241 31 HB2 PRO 8 1HB PRO 8 14.201 1.870 -3.162 32 HB3 PRO 8 2HB PRO 8 15.174 2.856 -2.064 33 HG2 PRO 8 1HG PRO 8 13.741 3.661 -4.566 34 HG3 PRO 8 2HG PRO 8 13.834 4.505 -3.009 35 HD2 PRO 8 1HD PRO 8 15.353 5.204 -5.139 36 HD3 PRO 8 2HD PRO 8 15.918 5.378 -3.465 37 H PHE 9 H PHE 9 15.030 0.088 -3.642 38 HA PHE 9 HA PHE 9 15.397 -0.658 -6.458 39 HB2 PHE 9 1HB PHE 9 15.046 -2.250 -3.936 40 HB3 PHE 9 2HB PHE 9 14.701 -2.975 -5.503 41 HD1 PHE 9 1HD PHE 9 16.562 -2.910 -7.261 42 HD2 PHE 9 2HD PHE 9 17.214 -2.202 -3.115 43 HE1 PHE 9 1HE PHE 9 18.952 -3.419 -7.553 44 HE2 PHE 9 2HE PHE 9 19.604 -2.709 -3.400 45 HZ PHE 9 HZ PHE 9 20.476 -3.317 -5.622 46 H ILE 10 H ILE 10 13.371 1.185 -5.824 47 HA ILE 10 HA ILE 10 10.965 -0.431 -6.359 48 HB ILE 10 HB ILE 10 11.147 2.143 -4.792 49 HG12 ILE 10 1HG1 ILE 10 9.899 -0.380 -3.791 50 HG13 ILE 10 2HG1 ILE 10 11.655 -0.261 -3.810 51 HG21 ILE 10 1HG2 ILE 10 8.743 0.598 -5.744 52 HG22 ILE 10 2HG2 ILE 10 8.684 1.844 -4.498 53 HG23 ILE 10 3HG2 ILE 10 9.178 2.261 -6.139 54 HD11 ILE 10 1HD1 ILE 10 11.703 1.209 -2.111 55 HD12 ILE 10 2HD1 ILE 10 10.222 2.019 -2.624 56 HD13 ILE 10 3HD1 ILE 10 10.133 0.494 -1.743 57 H MET 11 H MET 11 10.806 -0.250 -8.532 58 HA MET 11 HA MET 11 11.564 1.789 -10.186 59 HB2 MET 11 1HB MET 11 9.098 0.065 -10.481 60 HB3 MET 11 2HB MET 11 9.858 0.983 -11.774 61 HG2 MET 11 1HG MET 11 11.072 -1.314 -10.257 62 HG3 MET 11 2HG MET 11 10.475 -1.344 -11.914 63 HE1 MET 11 1HE MET 11 13.604 -2.352 -11.494 64 HE2 MET 11 2HE MET 11 14.629 -1.049 -10.893 65 HE3 MET 11 3HE MET 11 13.254 -1.602 -9.936 66 H ASP 12 H ASP 12 8.642 1.575 -8.245 67 HA ASP 12 HA ASP 12 8.221 4.428 -8.588 68 HB2 ASP 12 1HB ASP 12 6.400 2.341 -9.678 69 HB3 ASP 12 2HB ASP 12 5.658 3.740 -8.906 70 H ALA 13 H ALA 13 7.908 5.239 -6.633 71 HA ALA 13 HA ALA 13 7.007 3.491 -4.477 72 HB1 ALA 13 1HB ALA 13 7.957 6.335 -4.224 73 HB2 ALA 13 2HB ALA 13 7.874 5.098 -2.969 74 HB3 ALA 13 3HB ALA 13 9.052 4.953 -4.273 75 HA PRO 14 HA PRO 14 2.916 5.106 -4.363 76 HB2 PRO 14 1HB PRO 14 2.327 4.657 -1.751 77 HB3 PRO 14 2HB PRO 14 2.424 3.362 -2.951 78 HG2 PRO 14 1HG PRO 14 4.464 4.240 -0.943 79 HG3 PRO 14 2HG PRO 14 3.980 2.597 -1.402 80 HD2 PRO 14 1HD PRO 14 6.228 3.772 -2.350 81 HD3 PRO 14 2HD PRO 14 5.284 2.608 -3.302 82 H ARG 15 H ARG 15 1.807 6.958 -3.840 83 HA ARG 15 HA ARG 15 3.185 8.870 -2.072 84 HB2 ARG 15 1HB ARG 15 3.374 9.413 -4.519 85 HB3 ARG 15 2HB ARG 15 1.624 9.587 -4.556 86 HG2 ARG 15 1HG ARG 15 1.980 11.299 -2.660 87 HG3 ARG 15 2HG ARG 15 3.659 11.306 -3.202 88 HD2 ARG 15 1HD ARG 15 2.689 13.049 -4.403 89 HD3 ARG 15 2HD ARG 15 2.688 11.706 -5.545 90 HE ARG 15 HE ARG 15 0.258 11.531 -4.355 91 HH11 ARG 15 2HH1 ARG 15 1.979 14.095 -5.961 92 HH12 ARG 15 1HH1 ARG 15 0.543 14.874 -6.539 93 HH21 ARG 15 2HH2 ARG 15 -1.640 12.547 -5.110 94 HH22 ARG 15 1HH2 ARG 15 -1.515 13.993 -6.054 95 H ASP 16 H ASP 16 1.832 10.402 -0.984 96 HA ASP 16 HA ASP 16 -0.235 9.501 0.449 97 HB2 ASP 16 1HB ASP 16 -1.087 11.859 0.591 98 HB3 ASP 16 2HB ASP 16 0.642 11.692 0.881 99 H LEU 17 H LEU 17 -2.372 9.074 0.260 100 HA LEU 17 HA LEU 17 -3.668 9.668 -2.313 101 HB2 LEU 17 1HB LEU 17 -3.059 7.354 -2.380 102 HB3 LEU 17 2HB LEU 17 -3.718 7.084 -0.768 103 HG LEU 17 HG LEU 17 -5.988 7.604 -1.727 104 HD11 LEU 17 1HD1 LEU 17 -4.324 7.809 -4.175 105 HD12 LEU 17 2HD1 LEU 17 -5.769 8.704 -3.706 106 HD13 LEU 17 3HD1 LEU 17 -5.913 7.055 -4.315 107 HD21 LEU 17 1HD2 LEU 17 -5.182 5.298 -3.303 108 HD22 LEU 17 2HD2 LEU 17 -6.277 5.401 -1.924 109 HD23 LEU 17 3HD2 LEU 17 -4.538 5.259 -1.662 110 H ASN 18 H ASN 18 -5.599 10.615 -2.147 111 HA ASN 18 HA ASN 18 -6.873 10.679 0.506 112 HB2 ASN 18 1HB ASN 18 -7.938 12.789 -0.259 113 HB3 ASN 18 2HB ASN 18 -6.179 12.882 -0.240 114 HD21 ASN 18 1HD2 ASN 18 -5.067 13.106 -2.139 115 HD22 ASN 18 2HD2 ASN 18 -5.838 13.429 -3.651 116 H ILE 19 H ILE 19 -8.524 9.314 0.637 117 HA ILE 19 HA ILE 19 -10.464 9.249 -1.567 118 HB ILE 19 HB ILE 19 -9.098 7.236 -1.786 119 HG12 ILE 19 1HG1 ILE 19 -11.696 6.310 -0.601 120 HG13 ILE 19 2HG1 ILE 19 -11.692 7.306 -2.053 121 HG21 ILE 19 1HG2 ILE 19 -8.208 6.386 0.070 122 HG22 ILE 19 2HG2 ILE 19 -9.394 7.191 1.096 123 HG23 ILE 19 3HG2 ILE 19 -9.775 5.633 0.363 124 HD11 ILE 19 1HD1 ILE 19 -10.263 4.675 -1.758 125 HD12 ILE 19 2HD1 ILE 19 -11.825 4.909 -2.544 126 HD13 ILE 19 3HD1 ILE 19 -10.377 5.654 -3.221 127 H SER 20 H SER 20 -12.607 8.630 -0.947 128 HA SER 20 HA SER 20 -13.252 9.497 1.745 129 HB2 SER 20 1HB SER 20 -14.523 10.286 -0.276 130 HB3 SER 20 2HB SER 20 -15.152 8.648 -0.451 131 HG SER 20 HG SER 20 -16.506 10.157 0.756 132 H GLU 21 H GLU 21 -14.985 8.284 2.951 133 HA GLU 21 HA GLU 21 -14.098 5.608 3.393 134 HB2 GLU 21 1HB GLU 21 -14.854 6.926 5.266 135 HB3 GLU 21 2HB GLU 21 -16.426 7.169 4.518 136 HG2 GLU 21 1HG GLU 21 -16.450 4.520 4.592 137 HG3 GLU 21 2HG GLU 21 -15.339 4.805 5.931 138 H GLY 22 H GLY 22 -14.932 3.715 2.716 139 HA2 GLY 22 1HA GLY 22 -16.467 2.220 1.814 140 HA3 GLY 22 2HA GLY 22 -17.617 3.539 1.659 141 H ARG 23 H ARG 23 -14.366 3.687 0.373 142 HA ARG 23 HA ARG 23 -15.447 3.341 -2.342 143 HB2 ARG 23 1HB ARG 23 -13.517 5.484 -1.433 144 HB3 ARG 23 2HB ARG 23 -13.974 5.180 -3.104 145 HG2 ARG 23 1HG ARG 23 -16.402 5.531 -2.154 146 HG3 ARG 23 2HG ARG 23 -15.535 6.422 -0.902 147 HD2 ARG 23 1HD ARG 23 -14.484 7.810 -2.618 148 HD3 ARG 23 2HD ARG 23 -15.337 6.912 -3.872 149 HE ARG 23 HE ARG 23 -17.254 7.899 -2.123 150 HH11 ARG 23 2HH1 ARG 23 -14.856 9.144 -4.319 151 HH12 ARG 23 1HH1 ARG 23 -15.742 10.590 -4.672 152 HH21 ARG 23 2HH2 ARG 23 -18.430 9.800 -2.580 153 HH22 ARG 23 1HH2 ARG 23 -17.774 10.963 -3.682 154 H MET 24 H MET 24 -13.709 2.958 -3.977 155 HA MET 24 HA MET 24 -11.866 0.979 -2.934 156 HB2 MET 24 1HB MET 24 -13.336 0.904 -5.125 157 HB3 MET 24 2HB MET 24 -11.956 1.742 -5.822 158 HG2 MET 24 1HG MET 24 -10.502 -0.062 -5.338 159 HG3 MET 24 2HG MET 24 -11.710 -0.848 -4.324 160 HE1 MET 24 1HE MET 24 -12.138 -3.537 -6.347 161 HE2 MET 24 2HE MET 24 -10.675 -2.969 -7.152 162 HE3 MET 24 3HE MET 24 -10.864 -2.754 -5.411 163 H ALA 25 H ALA 25 -9.752 1.266 -2.617 164 HA ALA 25 HA ALA 25 -8.470 3.641 -3.801 165 HB1 ALA 25 1HB ALA 25 -7.068 3.154 -1.470 166 HB2 ALA 25 2HB ALA 25 -8.252 4.436 -1.731 167 HB3 ALA 25 3HB ALA 25 -8.752 2.907 -1.008 168 H GLU 26 H GLU 26 -6.077 3.470 -3.903 169 HA GLU 26 HA GLU 26 -4.951 0.805 -3.842 170 HB2 GLU 26 1HB GLU 26 -5.093 2.329 -6.449 171 HB3 GLU 26 2HB GLU 26 -4.276 0.794 -6.189 172 HG2 GLU 26 1HG GLU 26 -6.267 0.185 -7.197 173 HG3 GLU 26 2HG GLU 26 -6.579 -0.085 -5.483 174 H LEU 27 H LEU 27 -2.701 0.787 -3.825 175 HA LEU 27 HA LEU 27 -1.456 3.442 -3.559 176 HB2 LEU 27 1HB LEU 27 -1.068 0.861 -2.128 177 HB3 LEU 27 2HB LEU 27 0.314 1.940 -2.308 178 HG LEU 27 HG LEU 27 -2.275 2.877 -1.106 179 HD11 LEU 27 1HD1 LEU 27 -1.753 2.097 0.963 180 HD12 LEU 27 2HD1 LEU 27 -0.018 2.081 0.645 181 HD13 LEU 27 3HD1 LEU 27 -1.045 0.801 -0.002 182 HD21 LEU 27 1HD2 LEU 27 0.544 3.827 -0.649 183 HD22 LEU 27 2HD2 LEU 27 -0.962 4.630 -0.204 184 HD23 LEU 27 3HD2 LEU 27 -0.506 4.489 -1.902 185 H LYS 28 H LYS 28 -0.318 3.960 -5.301 186 HA LYS 28 HA LYS 28 0.582 2.155 -7.253 187 HB2 LYS 28 1HB LYS 28 1.098 5.030 -6.636 188 HB3 LYS 28 2HB LYS 28 2.152 4.222 -7.789 189 HG2 LYS 28 1HG LYS 28 -0.846 4.267 -8.024 190 HG3 LYS 28 2HG LYS 28 0.220 5.447 -8.792 191 HD2 LYS 28 1HD LYS 28 0.778 2.557 -9.224 192 HD3 LYS 28 2HD LYS 28 -0.601 3.273 -10.063 193 HE2 LYS 28 1HE LYS 28 2.143 4.501 -10.128 194 HE3 LYS 28 2HE LYS 28 1.632 3.276 -11.288 195 HZ1 LYS 28 1HZ LYS 28 0.942 5.053 -12.443 196 HZ2 LYS 28 2HZ LYS 28 0.871 6.063 -11.088 197 HZ3 LYS 28 3HZ LYS 28 -0.403 5.000 -11.417 198 H CYS 29 H CYS 29 1.962 0.561 -6.750 199 HA CYS 29 HA CYS 29 4.612 1.314 -5.793 200 HB2 CYS 29 1HB CYS 29 3.747 0.692 -3.713 201 HB3 CYS 29 2HB CYS 29 2.753 -0.587 -4.400 202 HG CYS 29 HG CYS 29 5.538 -1.725 -5.161 203 H ARG 30 H ARG 30 6.113 0.397 -7.023 204 HA ARG 30 HA ARG 30 5.434 -2.101 -8.432 205 HB2 ARG 30 1HB ARG 30 6.789 0.387 -9.404 206 HB3 ARG 30 2HB ARG 30 7.196 -1.161 -10.131 207 HG2 ARG 30 1HG ARG 30 5.537 -0.335 -11.518 208 HG3 ARG 30 2HG ARG 30 4.660 -1.437 -10.454 209 HD2 ARG 30 1HD ARG 30 4.263 0.661 -8.998 210 HD3 ARG 30 2HD ARG 30 4.706 1.558 -10.450 211 HE ARG 30 HE ARG 30 2.242 0.215 -9.954 212 HH11 ARG 30 2HH1 ARG 30 4.486 1.107 -12.460 213 HH12 ARG 30 1HH1 ARG 30 3.289 1.111 -13.712 214 HH21 ARG 30 2HH2 ARG 30 0.656 0.216 -11.593 215 HH22 ARG 30 1HH2 ARG 30 1.110 0.605 -13.218 216 H THR 31 H THR 31 6.737 -3.766 -8.049 217 HA THR 31 HA THR 31 9.432 -3.224 -6.983 218 HB THR 31 HB THR 31 9.271 -5.173 -5.555 219 HG1 THR 31 1HG THR 31 7.922 -6.557 -6.605 220 HG21 THR 31 1HG2 THR 31 8.059 -4.183 -3.898 221 HG22 THR 31 2HG2 THR 31 6.677 -3.868 -4.947 222 HG23 THR 31 3HG2 THR 31 8.102 -2.832 -5.029 223 HA PRO 32 HA PRO 32 10.996 -5.762 -10.214 224 HB2 PRO 32 1HB PRO 32 13.271 -6.672 -9.046 225 HB3 PRO 32 2HB PRO 32 13.080 -5.008 -9.611 226 HG2 PRO 32 1HG PRO 32 12.821 -6.108 -6.839 227 HG3 PRO 32 2HG PRO 32 13.617 -4.620 -7.382 228 HD2 PRO 32 1HD PRO 32 11.144 -4.630 -6.278 229 HD3 PRO 32 2HD PRO 32 11.631 -3.458 -7.520 230 HA PRO 33 HA PRO 33 10.012 -10.008 -9.633 231 HB2 PRO 33 1HB PRO 33 11.936 -11.296 -11.050 232 HB3 PRO 33 2HB PRO 33 10.635 -10.375 -11.813 233 HG2 PRO 33 1HG PRO 33 13.467 -9.565 -11.278 234 HG3 PRO 33 2HG PRO 33 12.483 -9.301 -12.730 235 HD2 PRO 33 1HD PRO 33 12.891 -7.370 -10.876 236 HD3 PRO 33 2HD PRO 33 11.388 -7.493 -11.812 237 H MET 34 H MET 34 10.658 -12.033 -8.672 238 HA MET 34 HA MET 34 11.571 -13.246 -6.977 239 HB2 MET 34 1HB MET 34 14.143 -11.937 -7.875 240 HB3 MET 34 2HB MET 34 14.000 -13.419 -6.940 241 HG2 MET 34 1HG MET 34 12.595 -14.218 -8.998 242 HG3 MET 34 2HG MET 34 13.478 -12.939 -9.828 243 HE1 MET 34 1HE MET 34 17.117 -13.909 -8.774 244 HE2 MET 34 2HE MET 34 16.491 -13.366 -10.331 245 HE3 MET 34 3HE MET 34 15.941 -12.597 -8.841 246 H SER 35 H SER 35 10.463 -10.770 -6.222 247 HA SER 35 HA SER 35 12.128 -10.152 -3.875 248 HB2 SER 35 1HB SER 35 10.499 -8.132 -5.436 249 HB3 SER 35 2HB SER 35 11.491 -7.804 -4.015 250 HG SER 35 HG SER 35 12.689 -9.021 -6.232 251 H SER 36 H SER 36 10.962 -9.463 -1.997 252 HA SER 36 HA SER 36 8.294 -10.655 -1.874 253 HB2 SER 36 1HB SER 36 10.006 -11.379 -0.228 254 HB3 SER 36 2HB SER 36 10.087 -9.726 0.383 255 HG SER 36 HG SER 36 8.541 -11.506 1.305 256 H VAL 37 H VAL 37 6.479 -9.523 -1.470 257 HA VAL 37 HA VAL 37 6.763 -6.610 -1.130 258 HB VAL 37 HB VAL 37 4.454 -8.130 -2.350 259 HG11 VAL 37 1HG1 VAL 37 4.236 -5.776 -1.115 260 HG12 VAL 37 2HG1 VAL 37 4.779 -5.207 -2.695 261 HG13 VAL 37 3HG1 VAL 37 3.313 -6.179 -2.562 262 HG21 VAL 37 1HG2 VAL 37 5.529 -6.447 -4.262 263 HG22 VAL 37 2HG2 VAL 37 6.944 -7.130 -3.460 264 HG23 VAL 37 3HG2 VAL 37 5.736 -8.197 -4.176 265 H LYS 38 H LYS 38 6.133 -5.797 0.748 266 HA LYS 38 HA LYS 38 3.976 -7.130 2.232 267 HB2 LYS 38 1HB LYS 38 6.746 -6.541 3.143 268 HB3 LYS 38 2HB LYS 38 5.445 -6.280 4.298 269 HG2 LYS 38 1HG LYS 38 4.706 -8.665 3.684 270 HG3 LYS 38 2HG LYS 38 6.325 -8.828 3.000 271 HD2 LYS 38 1HD LYS 38 7.357 -8.627 5.061 272 HD3 LYS 38 2HD LYS 38 5.985 -7.780 5.779 273 HE2 LYS 38 1HE LYS 38 5.803 -10.645 4.894 274 HE3 LYS 38 2HE LYS 38 6.393 -10.201 6.495 275 HZ1 LYS 38 1HZ LYS 38 3.825 -10.643 5.919 276 HZ2 LYS 38 2HZ LYS 38 3.893 -8.966 5.712 277 HZ3 LYS 38 3HZ LYS 38 4.345 -9.655 7.189 278 H TRP 39 H TRP 39 2.877 -5.749 3.766 279 HA TRP 39 HA TRP 39 3.312 -2.875 3.397 280 HB2 TRP 39 1HB TRP 39 0.767 -4.380 2.836 281 HB3 TRP 39 2HB TRP 39 0.742 -2.674 3.271 282 HD1 TRP 39 HD TRP 39 1.682 -5.026 0.425 283 HE1 TRP 39 1HE TRP 39 2.120 -3.634 -1.695 284 HE3 TRP 39 3HE TRP 39 1.543 -0.349 2.483 285 HZ2 TRP 39 2HZ TRP 39 2.374 -0.913 -2.401 286 HZ3 TRP 39 3HZ TRP 39 1.894 1.596 1.017 287 HH2 TRP 39 HH TRP 39 2.301 1.318 -1.374 288 H LEU 40 H LEU 40 3.798 -2.274 5.416 289 HA LEU 40 HA LEU 40 2.530 -3.507 7.703 290 HB2 LEU 40 1HB LEU 40 4.972 -2.719 7.496 291 HB3 LEU 40 2HB LEU 40 4.324 -1.107 7.791 292 HG LEU 40 HG LEU 40 3.741 -3.326 9.711 293 HD11 LEU 40 1HD1 LEU 40 5.959 -3.604 9.967 294 HD12 LEU 40 2HD1 LEU 40 5.838 -2.101 10.881 295 HD13 LEU 40 3HD1 LEU 40 6.351 -2.068 9.194 296 HD21 LEU 40 1HD2 LEU 40 2.856 -1.686 10.919 297 HD22 LEU 40 2HD2 LEU 40 3.087 -0.617 9.535 298 HD23 LEU 40 3HD2 LEU 40 4.325 -0.720 10.787 299 H LEU 41 H LEU 41 0.846 -2.740 8.815 300 HA LEU 41 HA LEU 41 -0.459 -0.328 7.877 301 HB2 LEU 41 1HB LEU 41 -1.289 -2.257 10.039 302 HB3 LEU 41 2HB LEU 41 -2.290 -0.991 9.332 303 HG LEU 41 HG LEU 41 -2.914 -3.182 8.482 304 HD11 LEU 41 1HD1 LEU 41 -3.294 -2.425 6.398 305 HD12 LEU 41 2HD1 LEU 41 -1.593 -2.070 6.100 306 HD13 LEU 41 3HD1 LEU 41 -2.581 -0.938 7.022 307 HD21 LEU 41 1HD2 LEU 41 -0.230 -3.389 7.159 308 HD22 LEU 41 2HD2 LEU 41 -1.465 -4.631 7.362 309 HD23 LEU 41 3HD2 LEU 41 -0.529 -4.083 8.753 310 HA PRO 42 HA PRO 42 0.912 2.392 11.039 311 HB2 PRO 42 1HB PRO 42 -1.265 3.990 11.316 312 HB3 PRO 42 2HB PRO 42 -0.195 4.060 9.911 313 HG2 PRO 42 1HG PRO 42 -2.839 2.688 10.213 314 HG3 PRO 42 2HG PRO 42 -2.226 3.649 8.855 315 HD2 PRO 42 1HD PRO 42 -2.228 0.942 8.840 316 HD3 PRO 42 2HD PRO 42 -0.982 1.900 8.016 317 H ASN 43 H ASN 43 -1.304 0.022 11.593 318 HA ASN 43 HA ASN 43 -1.973 0.892 14.307 319 HB2 ASN 43 1HB ASN 43 -3.736 -0.598 14.275 320 HB3 ASN 43 2HB ASN 43 -3.621 -0.200 12.564 321 HD21 ASN 43 1HD2 ASN 43 -3.441 -1.812 11.176 322 HD22 ASN 43 2HD2 ASN 43 -3.036 -3.444 11.573 323 H GLY 44 H GLY 44 0.295 -0.987 12.656 324 HA2 GLY 44 1HA GLY 44 2.187 -1.734 14.051 325 HA3 GLY 44 2HA GLY 44 0.993 -2.387 15.164 326 H THR 45 H THR 45 -0.506 -3.151 12.531 327 HA THR 45 HA THR 45 0.643 -5.816 12.419 328 HB THR 45 HB THR 45 -1.687 -5.019 10.728 329 HG1 THR 45 1HG THR 45 -3.055 -5.158 12.516 330 HG21 THR 45 1HG2 THR 45 -1.541 -7.244 10.443 331 HG22 THR 45 2HG2 THR 45 -2.273 -7.351 12.044 332 HG23 THR 45 3HG2 THR 45 -0.521 -7.450 11.866 333 H VAL 46 H VAL 46 0.383 -6.810 10.047 334 HA VAL 46 HA VAL 46 1.132 -5.093 7.889 335 HB VAL 46 HB VAL 46 3.274 -5.196 9.146 336 HG11 VAL 46 1HG1 VAL 46 4.416 -7.151 9.581 337 HG12 VAL 46 2HG1 VAL 46 2.745 -7.653 9.844 338 HG13 VAL 46 3HG1 VAL 46 3.560 -8.054 8.332 339 HG21 VAL 46 1HG2 VAL 46 2.831 -5.871 6.369 340 HG22 VAL 46 2HG2 VAL 46 4.029 -4.794 7.088 341 HG23 VAL 46 3HG2 VAL 46 4.362 -6.521 6.958 342 H LEU 47 H LEU 47 0.440 -6.010 6.071 343 HA LEU 47 HA LEU 47 -0.082 -8.901 6.084 344 HB2 LEU 47 1HB LEU 47 -1.224 -6.721 4.344 345 HB3 LEU 47 2HB LEU 47 -1.631 -8.431 4.227 346 HG LEU 47 HG LEU 47 -2.152 -6.745 6.672 347 HD11 LEU 47 1HD1 LEU 47 -4.591 -7.271 5.624 348 HD12 LEU 47 2HD1 LEU 47 -3.643 -7.029 4.157 349 HD13 LEU 47 3HD1 LEU 47 -3.707 -5.763 5.384 350 HD21 LEU 47 1HD2 LEU 47 -3.875 -8.984 6.373 351 HD22 LEU 47 2HD2 LEU 47 -2.690 -8.665 7.641 352 HD23 LEU 47 3HD2 LEU 47 -2.211 -9.538 6.184 353 H SER 48 H SER 48 -0.136 -9.710 3.631 354 HA SER 48 HA SER 48 2.056 -8.662 2.055 355 HB2 SER 48 1HB SER 48 3.185 -10.143 3.697 356 HB3 SER 48 2HB SER 48 2.186 -11.486 3.142 357 HG SER 48 HG SER 48 3.916 -9.984 1.467 358 H HIS 49 H HIS 49 2.459 -10.532 0.228 359 HA HIS 49 HA HIS 49 0.133 -10.486 -1.348 360 HB2 HIS 49 1HB HIS 49 2.498 -10.650 -2.192 361 HB3 HIS 49 2HB HIS 49 2.493 -12.342 -1.701 362 HD1 HIS 49 1HD HIS 49 -0.117 -10.340 -3.619 363 HD2 HIS 49 2HD HIS 49 2.254 -13.729 -4.008 364 HE1 HIS 49 1HE HIS 49 -0.791 -11.384 -5.805 365 HE2 HIS 49 2HE HIS 49 0.597 -13.479 -5.978 366 H ALA 50 H ALA 50 1.235 -12.702 1.047 367 HA ALA 50 HA ALA 50 -0.324 -14.943 0.162 368 HB1 ALA 50 1HB ALA 50 1.444 -14.333 2.444 369 HB2 ALA 50 2HB ALA 50 0.186 -15.537 2.730 370 HB3 ALA 50 3HB ALA 50 1.352 -15.772 1.428 371 H SER 51 H SER 51 -0.607 -12.646 2.874 372 HA SER 51 HA SER 51 -2.810 -13.414 4.169 373 HB2 SER 51 1HB SER 51 -3.095 -11.236 4.879 374 HB3 SER 51 2HB SER 51 -1.463 -11.136 4.216 375 HG SER 51 HG SER 51 -2.171 -9.822 2.742 376 H ARG 52 H ARG 52 -5.005 -13.496 3.922 377 HA ARG 52 HA ARG 52 -5.982 -13.241 1.170 378 HB2 ARG 52 1HB ARG 52 -6.213 -15.384 2.615 379 HB3 ARG 52 2HB ARG 52 -7.511 -14.512 3.420 380 HG2 ARG 52 1HG ARG 52 -8.757 -14.347 1.392 381 HG3 ARG 52 2HG ARG 52 -7.405 -14.982 0.451 382 HD2 ARG 52 1HD ARG 52 -7.603 -17.067 1.919 383 HD3 ARG 52 2HD ARG 52 -9.170 -16.422 2.407 384 HE ARG 52 HE ARG 52 -8.786 -16.597 -0.445 385 HH11 ARG 52 2HH1 ARG 52 -9.873 -18.232 2.429 386 HH12 ARG 52 1HH1 ARG 52 -10.903 -19.330 1.572 387 HH21 ARG 52 2HH2 ARG 52 -10.138 -18.037 -1.585 388 HH22 ARG 52 1HH2 ARG 52 -11.052 -19.219 -0.711 389 H HIS 53 H HIS 53 -5.752 -11.274 3.680 390 HA HIS 53 HA HIS 53 -8.052 -10.281 4.584 391 HB2 HIS 53 1HB HIS 53 -5.616 -9.262 4.548 392 HB3 HIS 53 2HB HIS 53 -6.278 -8.283 3.243 393 HD1 HIS 53 1HD HIS 53 -8.551 -6.925 3.947 394 HD2 HIS 53 2HD HIS 53 -6.107 -8.273 7.024 395 HE1 HIS 53 1HE HIS 53 -9.213 -5.583 5.968 396 HE2 HIS 53 2HE HIS 53 -7.662 -6.356 7.796 397 HA PRO 54 HA PRO 54 -10.676 -9.616 1.078 398 HB2 PRO 54 1HB PRO 54 -12.672 -8.339 2.403 399 HB3 PRO 54 2HB PRO 54 -12.419 -10.086 2.499 400 HG2 PRO 54 1HG PRO 54 -11.599 -7.945 4.424 401 HG3 PRO 54 2HG PRO 54 -12.308 -9.536 4.756 402 HD2 PRO 54 1HD PRO 54 -9.658 -9.042 5.006 403 HD3 PRO 54 2HD PRO 54 -10.292 -10.625 4.513 404 H ARG 55 H ARG 55 -10.423 -6.906 3.394 405 HA ARG 55 HA ARG 55 -10.928 -4.915 1.433 406 HB2 ARG 55 1HB ARG 55 -10.080 -4.952 4.283 407 HB3 ARG 55 2HB ARG 55 -9.744 -3.491 3.364 408 HG2 ARG 55 1HG ARG 55 -12.100 -3.272 2.811 409 HG3 ARG 55 2HG ARG 55 -12.453 -4.766 3.682 410 HD2 ARG 55 1HD ARG 55 -12.999 -2.897 5.091 411 HD3 ARG 55 2HD ARG 55 -11.579 -3.711 5.747 412 HE ARG 55 HE ARG 55 -11.697 -1.051 4.602 413 HH11 ARG 55 2HH1 ARG 55 -9.700 -3.702 5.651 414 HH12 ARG 55 1HH1 ARG 55 -8.281 -2.727 5.846 415 HH21 ARG 55 2HH2 ARG 55 -9.837 0.244 4.855 416 HH22 ARG 55 1HH2 ARG 55 -8.360 -0.482 5.394 417 H ILE 56 H ILE 56 -7.945 -5.364 3.335 418 HA ILE 56 HA ILE 56 -6.369 -3.977 1.394 419 HB ILE 56 HB ILE 56 -5.368 -5.692 3.666 420 HG12 ILE 56 1HG1 ILE 56 -5.985 -2.730 3.692 421 HG13 ILE 56 2HG1 ILE 56 -7.010 -3.967 4.413 422 HG21 ILE 56 1HG2 ILE 56 -3.987 -4.477 1.626 423 HG22 ILE 56 2HG2 ILE 56 -3.880 -3.298 2.932 424 HG23 ILE 56 3HG2 ILE 56 -3.316 -4.949 3.187 425 HD11 ILE 56 1HD1 ILE 56 -4.159 -3.821 5.237 426 HD12 ILE 56 2HD1 ILE 56 -5.294 -2.620 5.854 427 HD13 ILE 56 3HD1 ILE 56 -5.577 -4.335 6.150 428 H SER 57 H SER 57 -6.359 -5.010 -0.558 429 HA SER 57 HA SER 57 -5.453 -7.805 -0.619 430 HB2 SER 57 1HB SER 57 -7.069 -6.120 -2.498 431 HB3 SER 57 2HB SER 57 -6.170 -7.500 -3.128 432 HG SER 57 HG SER 57 -7.321 -8.516 -1.114 433 H VAL 58 H VAL 58 -3.380 -8.138 -1.024 434 HA VAL 58 HA VAL 58 -1.754 -6.035 -2.196 435 HB VAL 58 HB VAL 58 -0.980 -8.744 -1.104 436 HG11 VAL 58 1HG1 VAL 58 0.642 -8.117 -2.738 437 HG12 VAL 58 2HG1 VAL 58 0.705 -6.464 -2.124 438 HG13 VAL 58 3HG1 VAL 58 1.334 -7.793 -1.149 439 HG21 VAL 58 1HG2 VAL 58 -1.527 -6.197 0.134 440 HG22 VAL 58 2HG2 VAL 58 -1.200 -7.761 0.881 441 HG23 VAL 58 3HG2 VAL 58 0.137 -6.702 0.433 442 H LEU 59 H LEU 59 -2.541 -6.062 -4.345 443 HA LEU 59 HA LEU 59 -2.839 -8.197 -6.040 444 HB2 LEU 59 1HB LEU 59 -1.837 -5.415 -6.578 445 HB3 LEU 59 2HB LEU 59 -2.137 -6.579 -7.867 446 HG LEU 59 HG LEU 59 -4.508 -6.686 -7.164 447 HD11 LEU 59 1HD1 LEU 59 -3.639 -4.537 -5.243 448 HD12 LEU 59 2HD1 LEU 59 -4.368 -6.096 -4.859 449 HD13 LEU 59 3HD1 LEU 59 -5.321 -4.853 -5.671 450 HD21 LEU 59 1HD2 LEU 59 -3.542 -5.073 -8.897 451 HD22 LEU 59 2HD2 LEU 59 -3.741 -3.827 -7.665 452 HD23 LEU 59 3HD2 LEU 59 -5.146 -4.717 -8.256 453 H ASN 60 H ASN 60 -1.521 -9.311 -7.488 454 HA ASN 60 HA ASN 60 0.952 -10.151 -6.623 455 HB2 ASN 60 1HB ASN 60 0.125 -10.053 -9.529 456 HB3 ASN 60 2HB ASN 60 1.241 -11.187 -8.773 457 HD21 ASN 60 1HD2 ASN 60 0.443 -13.097 -8.315 458 HD22 ASN 60 2HD2 ASN 60 -1.223 -13.470 -8.046 459 H ASP 61 H ASP 61 0.276 -7.714 -9.126 460 HA ASP 61 HA ASP 61 2.849 -7.069 -9.863 461 HB2 ASP 61 1HB ASP 61 0.356 -5.397 -9.655 462 HB3 ASP 61 2HB ASP 61 1.873 -4.709 -10.229 463 H GLY 62 H GLY 62 1.238 -6.415 -6.878 464 HA2 GLY 62 1HA GLY 62 2.613 -5.957 -4.935 465 HA3 GLY 62 2HA GLY 62 3.637 -4.964 -5.962 466 H THR 63 H THR 63 0.152 -4.839 -6.133 467 HA THR 63 HA THR 63 0.267 -2.092 -5.088 468 HB THR 63 HB THR 63 -1.771 -3.382 -6.912 469 HG1 THR 63 1HG THR 63 -0.867 -1.579 -8.282 470 HG21 THR 63 1HG2 THR 63 -3.031 -1.831 -5.713 471 HG22 THR 63 2HG2 THR 63 -2.495 -0.903 -7.114 472 HG23 THR 63 3HG2 THR 63 -1.681 -0.706 -5.563 473 H LEU 64 H LEU 64 -1.202 -1.381 -3.552 474 HA LEU 64 HA LEU 64 -2.548 -3.522 -2.059 475 HB2 LEU 64 1HB LEU 64 -0.778 -1.896 -1.057 476 HB3 LEU 64 2HB LEU 64 -2.122 -0.757 -1.006 477 HG LEU 64 HG LEU 64 -3.367 -2.339 0.425 478 HD11 LEU 64 1HD1 LEU 64 -1.735 -4.093 1.513 479 HD12 LEU 64 2HD1 LEU 64 -0.940 -3.989 -0.057 480 HD13 LEU 64 3HD1 LEU 64 -2.634 -4.469 0.042 481 HD21 LEU 64 1HD2 LEU 64 -2.111 -1.923 2.438 482 HD22 LEU 64 2HD2 LEU 64 -1.972 -0.525 1.371 483 HD23 LEU 64 3HD2 LEU 64 -0.634 -1.667 1.508 484 H ASN 65 H ASN 65 -4.558 -3.709 -2.895 485 HA ASN 65 HA ASN 65 -6.121 -1.308 -3.445 486 HB2 ASN 65 1HB ASN 65 -6.131 -3.116 -5.114 487 HB3 ASN 65 2HB ASN 65 -6.786 -4.223 -3.911 488 HD21 ASN 65 1HD2 ASN 65 -7.540 -2.200 -6.407 489 HD22 ASN 65 2HD2 ASN 65 -9.222 -1.973 -6.087 490 H PHE 66 H PHE 66 -7.905 -0.694 -2.316 491 HA PHE 66 HA PHE 66 -8.602 -2.307 0.050 492 HB2 PHE 66 1HB PHE 66 -8.452 0.701 -0.212 493 HB3 PHE 66 2HB PHE 66 -9.158 -0.131 1.170 494 HD1 PHE 66 1HD PHE 66 -6.006 -0.156 -0.828 495 HD2 PHE 66 2HD PHE 66 -7.827 -0.439 3.008 496 HE1 PHE 66 1HE PHE 66 -3.781 -0.300 0.213 497 HE2 PHE 66 2HE PHE 66 -5.605 -0.583 4.056 498 HZ PHE 66 HZ PHE 66 -3.579 -0.513 2.658 499 H SER 67 H SER 67 -10.376 -3.320 -0.819 500 HA SER 67 HA SER 67 -12.288 -2.537 -2.519 501 HB2 SER 67 1HB SER 67 -12.562 -4.077 0.053 502 HB3 SER 67 2HB SER 67 -13.956 -3.796 -0.991 503 HG SER 67 HG SER 67 -13.205 -5.591 -1.858 504 H HIS 68 H HIS 68 -12.278 -1.683 0.932 505 HA HIS 68 HA HIS 68 -13.643 0.796 0.347 506 HB2 HIS 68 1HB HIS 68 -15.576 0.437 1.683 507 HB3 HIS 68 2HB HIS 68 -15.453 -0.963 0.621 508 HD1 HIS 68 1HD HIS 68 -14.738 -3.224 1.727 509 HD2 HIS 68 2HD HIS 68 -15.361 -0.100 4.394 510 HE1 HIS 68 1HE HIS 68 -14.883 -4.297 3.997 511 HE2 HIS 68 2HE HIS 68 -15.344 -2.397 5.584 512 H VAL 69 H VAL 69 -12.231 2.110 1.320 513 HA VAL 69 HA VAL 69 -10.888 1.381 3.761 514 HB VAL 69 HB VAL 69 -9.755 3.499 3.601 515 HG11 VAL 69 1HG1 VAL 69 -10.088 1.979 1.042 516 HG12 VAL 69 2HG1 VAL 69 -8.999 3.365 1.139 517 HG13 VAL 69 3HG1 VAL 69 -8.740 1.964 2.179 518 HG21 VAL 69 1HG2 VAL 69 -10.376 5.279 2.236 519 HG22 VAL 69 2HG2 VAL 69 -11.407 4.270 1.222 520 HG23 VAL 69 3HG2 VAL 69 -11.918 4.690 2.857 521 H LEU 70 H LEU 70 -11.112 2.344 5.780 522 HA LEU 70 HA LEU 70 -13.663 3.754 6.195 523 HB2 LEU 70 1HB LEU 70 -12.075 2.038 8.098 524 HB3 LEU 70 2HB LEU 70 -13.558 2.898 8.508 525 HG LEU 70 HG LEU 70 -14.808 1.505 6.938 526 HD11 LEU 70 1HD1 LEU 70 -12.094 0.370 6.364 527 HD12 LEU 70 2HD1 LEU 70 -13.310 0.963 5.235 528 HD13 LEU 70 3HD1 LEU 70 -13.563 -0.563 6.081 529 HD21 LEU 70 1HD2 LEU 70 -13.345 -0.552 8.456 530 HD22 LEU 70 2HD2 LEU 70 -15.066 -0.167 8.427 531 HD23 LEU 70 3HD2 LEU 70 -13.960 0.805 9.399 532 H LEU 71 H LEU 71 -13.620 5.117 8.277 533 HA LEU 71 HA LEU 71 -11.725 7.181 7.931 534 HB2 LEU 71 1HB LEU 71 -13.694 6.590 10.127 535 HB3 LEU 71 2HB LEU 71 -12.682 8.033 10.109 536 HG LEU 71 HG LEU 71 -14.632 7.347 7.916 537 HD11 LEU 71 1HD1 LEU 71 -15.441 7.859 10.419 538 HD12 LEU 71 2HD1 LEU 71 -16.319 8.396 8.988 539 HD13 LEU 71 3HD1 LEU 71 -15.242 9.509 9.830 540 HD21 LEU 71 1HD2 LEU 71 -12.739 9.539 8.466 541 HD22 LEU 71 2HD2 LEU 71 -14.335 10.021 7.891 542 HD23 LEU 71 3HD2 LEU 71 -13.348 8.919 6.931 543 H SER 72 H SER 72 -12.141 4.817 10.565 544 HA SER 72 HA SER 72 -10.005 5.556 12.151 545 HB2 SER 72 1HB SER 72 -11.830 3.721 12.493 546 HB3 SER 72 2HB SER 72 -10.645 2.650 11.747 547 HG SER 72 HG SER 72 -9.221 3.825 13.461 548 H ASP 73 H ASP 73 -10.023 3.722 9.176 549 HA ASP 73 HA ASP 73 -7.462 2.601 9.300 550 HB2 ASP 73 1HB ASP 73 -9.105 3.495 6.926 551 HB3 ASP 73 2HB ASP 73 -7.604 2.583 6.788 552 H THR 74 H THR 74 -8.502 5.845 8.709 553 HA THR 74 HA THR 74 -6.555 7.011 7.229 554 HB THR 74 HB THR 74 -7.720 8.100 9.798 555 HG1 THR 74 1HG THR 74 -9.419 8.415 8.590 556 HG21 THR 74 1HG2 THR 74 -5.544 9.113 8.489 557 HG22 THR 74 2HG2 THR 74 -6.666 10.059 9.468 558 HG23 THR 74 3HG2 THR 74 -6.870 9.982 7.718 559 H GLY 75 H GLY 75 -4.409 7.036 7.284 560 HA2 GLY 75 1HA GLY 75 -2.825 7.709 9.459 561 HA3 GLY 75 2HA GLY 75 -2.930 5.955 9.456 562 H VAL 76 H VAL 76 -0.681 5.818 9.065 563 HA VAL 76 HA VAL 76 0.095 6.526 6.310 564 HB VAL 76 HB VAL 76 1.720 6.514 8.839 565 HG11 VAL 76 1HG1 VAL 76 2.586 5.822 6.134 566 HG12 VAL 76 2HG1 VAL 76 3.518 7.126 6.873 567 HG13 VAL 76 3HG1 VAL 76 3.387 5.564 7.683 568 HG21 VAL 76 1HG2 VAL 76 0.978 8.515 6.746 569 HG22 VAL 76 2HG2 VAL 76 0.883 8.644 8.502 570 HG23 VAL 76 3HG2 VAL 76 2.449 8.734 7.695 571 H TYR 77 H TYR 77 0.758 4.928 5.010 572 HA TYR 77 HA TYR 77 1.077 2.253 6.195 573 HB2 TYR 77 1HB TYR 77 0.218 3.079 3.416 574 HB3 TYR 77 2HB TYR 77 0.519 1.414 3.902 575 HD1 TYR 77 2HD TYR 77 -1.524 4.380 4.886 576 HD2 TYR 77 1HD TYR 77 -1.249 0.139 4.684 577 HE1 TYR 77 2HE TYR 77 -3.846 4.198 5.676 578 HE2 TYR 77 1HE TYR 77 -3.571 -0.055 5.472 579 HH TYR 77 HH TYR 77 -5.278 2.533 6.818 580 H THR 78 H THR 78 2.901 1.104 5.863 581 HA THR 78 HA THR 78 5.006 2.376 4.239 582 HB THR 78 HB THR 78 5.459 0.482 6.546 583 HG1 THR 78 1HG THR 78 4.967 2.142 7.756 584 HG21 THR 78 1HG2 THR 78 7.262 0.742 4.830 585 HG22 THR 78 2HG2 THR 78 7.733 1.243 6.454 586 HG23 THR 78 3HG2 THR 78 7.330 2.456 5.239 587 H CYS 79 H CYS 79 5.758 1.284 2.544 588 HA CYS 79 HA CYS 79 4.973 -1.528 2.244 589 HB2 CYS 79 1HB CYS 79 4.221 -0.041 0.458 590 HB3 CYS 79 2HB CYS 79 5.875 0.487 0.176 591 HG CYS 79 HG CYS 79 5.807 -2.771 -0.063 592 H MET 80 H MET 80 6.452 -3.053 2.513 593 HA MET 80 HA MET 80 9.273 -2.306 2.586 594 HB2 MET 80 1HB MET 80 8.111 -5.006 3.252 595 HB3 MET 80 2HB MET 80 9.657 -4.337 3.757 596 HG2 MET 80 1HG MET 80 8.429 -2.642 5.086 597 HG3 MET 80 2HG MET 80 6.927 -3.460 4.663 598 HE1 MET 80 1HE MET 80 5.887 -4.249 6.396 599 HE2 MET 80 2HE MET 80 6.413 -5.405 7.619 600 HE3 MET 80 3HE MET 80 6.778 -3.690 7.811 601 H VAL 81 H VAL 81 10.858 -3.295 1.336 602 HA VAL 81 HA VAL 81 9.964 -5.088 -0.806 603 HB VAL 81 HB VAL 81 11.755 -2.722 -1.347 604 HG11 VAL 81 1HG1 VAL 81 10.250 -4.372 -3.350 605 HG12 VAL 81 2HG1 VAL 81 11.645 -3.321 -3.603 606 HG13 VAL 81 3HG1 VAL 81 11.839 -4.860 -2.763 607 HG21 VAL 81 1HG2 VAL 81 8.948 -2.888 -2.348 608 HG22 VAL 81 2HG2 VAL 81 9.255 -2.284 -0.719 609 HG23 VAL 81 3HG2 VAL 81 9.975 -1.473 -2.110 610 H THR 82 H THR 82 11.239 -6.806 -0.933 611 HA THR 82 HA THR 82 14.053 -6.545 -0.098 612 HB THR 82 HB THR 82 12.394 -9.025 0.354 613 HG1 THR 82 1HG THR 82 12.755 -6.731 1.940 614 HG21 THR 82 1HG2 THR 82 15.036 -8.135 1.517 615 HG22 THR 82 2HG2 THR 82 14.841 -9.316 0.221 616 HG23 THR 82 3HG2 THR 82 14.215 -9.663 1.833 617 H ASN 83 H ASN 83 15.496 -7.212 -1.552 618 HA ASN 83 HA ASN 83 14.720 -9.210 -3.545 619 HB2 ASN 83 1HB ASN 83 14.324 -7.168 -4.726 620 HB3 ASN 83 2HB ASN 83 15.838 -6.471 -4.156 621 HD21 ASN 83 1HD2 ASN 83 14.905 -9.531 -5.697 622 HD22 ASN 83 2HD2 ASN 83 16.074 -9.443 -6.966 623 H VAL 84 H VAL 84 16.474 -10.338 -4.489 624 HA VAL 84 HA VAL 84 18.514 -11.108 -2.840 625 HB VAL 84 HB VAL 84 17.958 -12.360 -4.842 626 HG11 VAL 84 1HG1 VAL 84 18.045 -11.578 -6.962 627 HG12 VAL 84 2HG1 VAL 84 17.881 -10.018 -6.153 628 HG13 VAL 84 3HG1 VAL 84 19.473 -10.590 -6.655 629 HG21 VAL 84 1HG2 VAL 84 20.186 -12.650 -3.841 630 HG22 VAL 84 2HG2 VAL 84 20.197 -12.940 -5.580 631 HG23 VAL 84 3HG2 VAL 84 20.824 -11.423 -4.935 632 H ALA 85 H ALA 85 18.443 -8.367 -5.023 633 HA ALA 85 HA ALA 85 21.227 -7.773 -4.864 634 HB1 ALA 85 1HB ALA 85 19.612 -7.029 -6.672 635 HB2 ALA 85 2HB ALA 85 19.056 -5.804 -5.531 636 HB3 ALA 85 3HB ALA 85 20.735 -5.809 -6.070 637 H GLY 86 H GLY 86 18.351 -6.303 -3.345 638 HA2 GLY 86 1HA GLY 86 19.782 -5.814 -0.907 639 HA3 GLY 86 2HA GLY 86 19.529 -4.343 -1.836 640 H ASN 87 H ASN 87 18.241 -3.533 -0.109 641 HA ASN 87 HA ASN 87 15.487 -4.536 -0.215 642 HB2 ASN 87 1HB ASN 87 17.075 -3.946 2.285 643 HB3 ASN 87 2HB ASN 87 15.317 -4.052 2.269 644 HD21 ASN 87 1HD2 ASN 87 15.469 -5.796 3.732 645 HD22 ASN 87 2HD2 ASN 87 15.891 -7.380 3.187 646 H SER 88 H SER 88 13.895 -2.943 0.551 647 HA SER 88 HA SER 88 14.613 -0.227 0.968 648 HB2 SER 88 1HB SER 88 13.730 0.700 -1.147 649 HB3 SER 88 2HB SER 88 15.152 -0.307 -1.417 650 HG SER 88 HG SER 88 13.738 -1.999 -2.026 651 H ASN 89 H ASN 89 12.831 1.079 1.474 652 HA ASN 89 HA ASN 89 10.195 -0.209 1.409 653 HB2 ASN 89 1HB ASN 89 11.539 0.983 3.839 654 HB3 ASN 89 2HB ASN 89 9.811 0.654 3.754 655 HD21 ASN 89 1HD2 ASN 89 9.950 -0.818 5.450 656 HD22 ASN 89 2HD2 ASN 89 10.632 -2.391 5.241 657 H ALA 90 H ALA 90 8.410 1.299 1.742 658 HA ALA 90 HA ALA 90 9.098 4.105 1.205 659 HB1 ALA 90 1HB ALA 90 6.835 2.760 -0.235 660 HB2 ALA 90 2HB ALA 90 7.622 4.296 -0.600 661 HB3 ALA 90 3HB ALA 90 8.473 2.779 -0.890 662 H SER 91 H SER 91 6.972 5.463 1.305 663 HA SER 91 HA SER 91 5.118 4.451 3.320 664 HB2 SER 91 1HB SER 91 6.630 7.048 3.687 665 HB3 SER 91 2HB SER 91 5.415 6.381 4.777 666 HG SER 91 HG SER 91 8.013 5.927 4.783 667 H ALA 92 H ALA 92 3.254 5.915 3.636 668 HA ALA 92 HA ALA 92 2.739 8.084 1.904 669 HB1 ALA 92 1HB ALA 92 2.001 7.148 0.035 670 HB2 ALA 92 2HB ALA 92 2.481 5.572 0.666 671 HB3 ALA 92 3HB ALA 92 0.845 6.170 0.940 672 H TYR 93 H TYR 93 1.008 9.211 2.614 673 HA TYR 93 HA TYR 93 -0.446 8.113 4.884 674 HB2 TYR 93 1HB TYR 93 0.592 10.409 4.927 675 HB3 TYR 93 2HB TYR 93 -0.612 10.906 3.743 676 HD1 TYR 93 2HD TYR 93 -3.046 10.831 4.379 677 HD2 TYR 93 1HD TYR 93 0.068 10.300 7.229 678 HE1 TYR 93 2HE TYR 93 -4.630 11.328 6.193 679 HE2 TYR 93 1HE TYR 93 -1.508 10.794 9.052 680 HH TYR 93 HH TYR 93 -4.124 10.603 9.325 681 H LEU 94 H LEU 94 -2.592 7.681 4.928 682 HA LEU 94 HA LEU 94 -4.082 8.068 2.415 683 HB2 LEU 94 1HB LEU 94 -3.753 5.754 2.646 684 HB3 LEU 94 2HB LEU 94 -4.079 5.797 4.377 685 HG LEU 94 HG LEU 94 -6.476 6.553 3.533 686 HD11 LEU 94 1HD1 LEU 94 -5.805 6.576 1.163 687 HD12 LEU 94 2HD1 LEU 94 -7.114 5.439 1.486 688 HD13 LEU 94 3HD1 LEU 94 -5.468 4.847 1.261 689 HD21 LEU 94 1HD2 LEU 94 -7.204 4.301 3.816 690 HD22 LEU 94 2HD2 LEU 94 -5.837 4.556 4.901 691 HD23 LEU 94 3HD2 LEU 94 -5.613 3.670 3.392 692 H ASN 95 H ASN 95 -5.473 9.687 2.688 693 HA ASN 95 HA ASN 95 -6.662 10.187 5.296 694 HB2 ASN 95 1HB ASN 95 -5.801 12.090 4.006 695 HB3 ASN 95 2HB ASN 95 -6.914 11.713 2.694 696 HD21 ASN 95 1HD2 ASN 95 -7.189 14.135 3.434 697 HD22 ASN 95 2HD2 ASN 95 -8.530 14.394 4.492 698 H VAL 96 H VAL 96 -8.639 9.557 5.865 699 HA VAL 96 HA VAL 96 -10.496 8.693 3.745 700 HB VAL 96 HB VAL 96 -10.351 7.518 6.521 701 HG11 VAL 96 1HG1 VAL 96 -12.159 7.235 4.243 702 HG12 VAL 96 2HG1 VAL 96 -11.563 5.699 4.876 703 HG13 VAL 96 3HG1 VAL 96 -12.401 6.828 5.942 704 HG21 VAL 96 1HG2 VAL 96 -8.424 7.156 4.668 705 HG22 VAL 96 2HG2 VAL 96 -8.895 5.931 5.846 706 HG23 VAL 96 3HG2 VAL 96 -9.549 5.878 4.209 707 H SER 97 H SER 97 -12.154 10.044 3.610 708 HA SER 97 HA SER 97 -13.046 11.460 6.022 709 HB2 SER 97 1HB SER 97 -13.213 12.054 3.088 710 HB3 SER 97 2HB SER 97 -14.383 12.782 4.189 711 HG SER 97 HG SER 97 -12.711 14.192 4.117 712 H SER 98 H SER 98 -15.159 11.399 6.714 713 HA SER 98 HA SER 98 -16.620 9.029 6.146 714 HB2 SER 98 1HB SER 98 -18.120 9.723 7.828 715 HB3 SER 98 2HB SER 98 -16.566 10.384 8.336 716 HG SER 98 HG SER 98 -17.586 12.216 8.367 717 H GLY 99 H GLY 99 -17.931 8.661 4.492 718 HA2 GLY 99 1HA GLY 99 -18.552 10.355 2.443 719 HA3 GLY 99 2HA GLY 99 -19.567 8.996 2.903 720 HA PRO 100 HA PRO 100 -21.676 13.203 3.588 721 HB2 PRO 100 1HB PRO 100 -23.405 13.109 1.497 722 HB3 PRO 100 2HB PRO 100 -21.800 13.840 1.384 723 HG2 PRO 100 1HG PRO 100 -22.710 11.125 0.513 724 HG3 PRO 100 2HG PRO 100 -21.653 12.273 -0.328 725 HD2 PRO 100 1HD PRO 100 -20.693 10.144 1.043 726 HD3 PRO 100 2HD PRO 100 -19.806 11.677 0.915 727 H SER 101 H SER 101 -23.214 10.313 2.161 728 HA SER 101 HA SER 101 -25.609 10.615 3.678 729 HB2 SER 101 1HB SER 101 -25.476 9.446 1.469 730 HB3 SER 101 2HB SER 101 -24.607 8.133 2.264 731 HG SER 101 HG SER 101 -26.460 7.389 2.880 732 H SER 102 H SER 102 -26.346 9.421 5.435 733 HA SER 102 HA SER 102 -24.256 8.499 7.217 734 HB2 SER 102 1HB SER 102 -27.153 9.179 7.499 735 HB3 SER 102 2HB SER 102 -26.413 8.131 8.709 736 HG SER 102 HG SER 102 -25.797 10.801 8.056 737 H GLY 103 H GLY 103 -24.345 6.455 8.329 738 HA2 GLY 103 1HA GLY 103 -26.030 4.372 7.198 739 HA3 GLY 103 2HA GLY 103 -24.309 4.211 6.879 Start of MODEL 8 1 H1 GLY 1 H GLY 1 32.236 12.862 -10.953 2 HA2 GLY 1 1HA GLY 1 30.872 15.043 -10.131 3 HA3 GLY 1 2HA GLY 1 30.628 15.084 -11.871 4 H SER 2 H SER 2 30.129 13.155 -8.963 5 HA SER 2 HA SER 2 28.761 10.994 -9.911 6 HB2 SER 2 1HB SER 2 28.545 12.598 -7.403 7 HB3 SER 2 2HB SER 2 27.309 11.381 -7.719 8 HG SER 2 HG SER 2 28.787 10.166 -6.785 9 H SER 3 H SER 3 26.408 10.533 -9.896 10 HA SER 3 HA SER 3 24.701 12.811 -10.537 11 HB2 SER 3 1HB SER 3 25.671 12.095 -12.696 12 HB3 SER 3 2HB SER 3 25.053 10.466 -12.422 13 HG SER 3 HG SER 3 23.021 11.168 -12.716 14 H GLY 4 H GLY 4 22.676 12.562 -9.796 15 HA2 GLY 4 1HA GLY 4 20.776 11.554 -8.966 16 HA3 GLY 4 2HA GLY 4 21.388 10.022 -9.572 17 H SER 5 H SER 5 20.301 11.313 -6.886 18 HA SER 5 HA SER 5 22.203 9.842 -5.182 19 HB2 SER 5 1HB SER 5 21.792 11.459 -3.390 20 HB3 SER 5 2HB SER 5 22.408 12.278 -4.825 21 HG SER 5 HG SER 5 20.159 12.741 -5.324 22 H SER 6 H SER 6 19.050 10.146 -6.293 23 HA SER 6 HA SER 6 18.090 8.354 -4.170 24 HB2 SER 6 1HB SER 6 17.245 10.796 -4.016 25 HB3 SER 6 2HB SER 6 16.271 10.394 -5.430 26 HG SER 6 HG SER 6 16.117 9.393 -2.813 27 H GLY 7 H GLY 7 17.297 6.509 -4.938 28 HA2 GLY 7 1HA GLY 7 15.500 6.051 -6.912 29 HA3 GLY 7 2HA GLY 7 17.019 6.147 -7.790 30 HA PRO 8 HA PRO 8 17.427 2.345 -4.824 31 HB2 PRO 8 1HB PRO 8 15.175 1.581 -3.514 32 HB3 PRO 8 2HB PRO 8 16.335 2.730 -2.839 33 HG2 PRO 8 1HG PRO 8 13.733 3.257 -4.221 34 HG3 PRO 8 2HG PRO 8 14.400 4.017 -2.765 35 HD2 PRO 8 1HD PRO 8 14.505 5.194 -5.201 36 HD3 PRO 8 2HD PRO 8 15.767 5.426 -3.973 37 H PHE 9 H PHE 9 16.187 0.072 -4.697 38 HA PHE 9 HA PHE 9 15.820 -0.785 -7.320 39 HB2 PHE 9 1HB PHE 9 15.159 -1.987 -4.650 40 HB3 PHE 9 2HB PHE 9 14.677 -2.806 -6.133 41 HD1 PHE 9 2HD PHE 9 17.496 -1.762 -4.051 42 HD2 PHE 9 1HD PHE 9 16.312 -3.803 -7.593 43 HE1 PHE 9 2HE PHE 9 19.743 -2.748 -4.229 44 HE2 PHE 9 1HE PHE 9 18.557 -4.793 -7.777 45 HZ PHE 9 HZ PHE 9 20.277 -4.265 -6.094 46 H ILE 10 H ILE 10 13.507 0.369 -4.956 47 HA ILE 10 HA ILE 10 11.131 -0.488 -6.133 48 HB ILE 10 HB ILE 10 11.623 2.083 -4.626 49 HG12 ILE 10 1HG1 ILE 10 10.449 -0.465 -3.530 50 HG13 ILE 10 2HG1 ILE 10 12.187 -0.181 -3.530 51 HG21 ILE 10 1HG2 ILE 10 9.557 2.444 -5.568 52 HG22 ILE 10 2HG2 ILE 10 9.147 0.730 -5.588 53 HG23 ILE 10 3HG2 ILE 10 9.108 1.627 -4.071 54 HD11 ILE 10 1HD1 ILE 10 10.402 1.891 -2.368 55 HD12 ILE 10 2HD1 ILE 10 10.716 0.416 -1.453 56 HD13 ILE 10 3HD1 ILE 10 12.056 1.453 -1.942 57 H MET 11 H MET 11 10.888 -0.281 -8.297 58 HA MET 11 HA MET 11 11.732 1.897 -9.851 59 HB2 MET 11 1HB MET 11 9.437 0.034 -10.470 60 HB3 MET 11 2HB MET 11 10.386 0.962 -11.624 61 HG2 MET 11 1HG MET 11 11.538 -1.186 -9.865 62 HG3 MET 11 2HG MET 11 10.935 -1.470 -11.496 63 HE1 MET 11 1HE MET 11 13.474 -2.246 -10.325 64 HE2 MET 11 2HE MET 11 14.765 -1.812 -11.446 65 HE3 MET 11 3HE MET 11 14.597 -0.948 -9.916 66 H ASP 12 H ASP 12 8.936 1.436 -7.874 67 HA ASP 12 HA ASP 12 8.087 4.160 -8.444 68 HB2 ASP 12 1HB ASP 12 6.835 2.451 -9.945 69 HB3 ASP 12 2HB ASP 12 5.989 2.009 -8.465 70 H ALA 13 H ALA 13 7.477 5.187 -6.642 71 HA ALA 13 HA ALA 13 7.038 3.561 -4.227 72 HB1 ALA 13 1HB ALA 13 7.549 6.306 -3.612 73 HB2 ALA 13 2HB ALA 13 8.490 4.876 -3.187 74 HB3 ALA 13 3HB ALA 13 8.791 5.709 -4.712 75 HA PRO 14 HA PRO 14 2.895 5.018 -3.961 76 HB2 PRO 14 1HB PRO 14 2.504 4.771 -1.286 77 HB3 PRO 14 2HB PRO 14 2.577 3.383 -2.378 78 HG2 PRO 14 1HG PRO 14 4.706 4.508 -0.599 79 HG3 PRO 14 2HG PRO 14 4.267 2.814 -0.885 80 HD2 PRO 14 1HD PRO 14 6.391 3.990 -2.084 81 HD3 PRO 14 2HD PRO 14 5.438 2.714 -2.868 82 H ARG 15 H ARG 15 1.871 6.932 -3.727 83 HA ARG 15 HA ARG 15 3.210 9.005 -2.116 84 HB2 ARG 15 1HB ARG 15 3.092 9.131 -4.759 85 HB3 ARG 15 2HB ARG 15 1.474 9.738 -4.431 86 HG2 ARG 15 1HG ARG 15 2.334 11.576 -3.182 87 HG3 ARG 15 2HG ARG 15 3.967 10.908 -3.222 88 HD2 ARG 15 1HD ARG 15 3.990 12.564 -4.867 89 HD3 ARG 15 2HD ARG 15 3.764 11.067 -5.770 90 HE ARG 15 HE ARG 15 1.270 12.254 -5.113 91 HH11 ARG 15 2HH1 ARG 15 3.981 12.525 -7.280 92 HH12 ARG 15 1HH1 ARG 15 3.063 13.277 -8.543 93 HH21 ARG 15 2HH2 ARG 15 0.051 13.243 -6.768 94 HH22 ARG 15 1HH2 ARG 15 0.828 13.686 -8.250 95 H ASP 16 H ASP 16 1.879 10.541 -1.061 96 HA ASP 16 HA ASP 16 -0.198 9.675 0.412 97 HB2 ASP 16 1HB ASP 16 1.000 12.014 0.314 98 HB3 ASP 16 2HB ASP 16 -0.401 12.465 -0.654 99 H LEU 17 H LEU 17 -2.426 9.559 0.299 100 HA LEU 17 HA LEU 17 -3.712 10.176 -2.254 101 HB2 LEU 17 1HB LEU 17 -3.171 7.888 -2.542 102 HB3 LEU 17 2HB LEU 17 -3.680 7.491 -0.902 103 HG LEU 17 HG LEU 17 -6.026 7.988 -1.577 104 HD11 LEU 17 1HD1 LEU 17 -5.279 7.781 -4.433 105 HD12 LEU 17 2HD1 LEU 17 -5.023 9.337 -3.644 106 HD13 LEU 17 3HD1 LEU 17 -6.632 8.615 -3.668 107 HD21 LEU 17 1HD2 LEU 17 -5.914 5.757 -1.661 108 HD22 LEU 17 2HD2 LEU 17 -4.356 5.772 -2.488 109 HD23 LEU 17 3HD2 LEU 17 -5.847 5.963 -3.412 110 H ASN 18 H ASN 18 -5.791 10.861 -2.075 111 HA ASN 18 HA ASN 18 -6.978 10.818 0.623 112 HB2 ASN 18 1HB ASN 18 -6.571 13.069 0.398 113 HB3 ASN 18 2HB ASN 18 -6.689 13.025 -1.358 114 HD21 ASN 18 1HD2 ASN 18 -8.109 14.678 -1.593 115 HD22 ASN 18 2HD2 ASN 18 -9.741 14.632 -1.025 116 H ILE 19 H ILE 19 -8.676 9.511 0.663 117 HA ILE 19 HA ILE 19 -10.597 9.630 -1.554 118 HB ILE 19 HB ILE 19 -9.228 7.610 -1.875 119 HG12 ILE 19 1HG1 ILE 19 -11.933 6.723 -0.901 120 HG13 ILE 19 2HG1 ILE 19 -11.774 7.765 -2.311 121 HG21 ILE 19 1HG2 ILE 19 -10.181 6.943 0.900 122 HG22 ILE 19 2HG2 ILE 19 -9.504 5.750 -0.207 123 HG23 ILE 19 3HG2 ILE 19 -8.519 7.108 0.335 124 HD11 ILE 19 1HD1 ILE 19 -9.982 5.734 -2.808 125 HD12 ILE 19 2HD1 ILE 19 -11.346 4.915 -2.047 126 HD13 ILE 19 3HD1 ILE 19 -11.600 5.896 -3.491 127 H SER 20 H SER 20 -12.746 8.842 -0.977 128 HA SER 20 HA SER 20 -13.463 9.699 1.686 129 HB2 SER 20 1HB SER 20 -14.778 10.247 -0.418 130 HB3 SER 20 2HB SER 20 -15.314 8.567 -0.418 131 HG SER 20 HG SER 20 -16.800 9.921 0.659 132 H GLU 21 H GLU 21 -15.168 8.368 2.878 133 HA GLU 21 HA GLU 21 -14.043 5.751 3.351 134 HB2 GLU 21 1HB GLU 21 -14.610 6.879 5.328 135 HB3 GLU 21 2HB GLU 21 -16.160 7.408 4.690 136 HG2 GLU 21 1HG GLU 21 -16.872 5.002 4.706 137 HG3 GLU 21 2HG GLU 21 -15.390 4.648 5.591 138 H GLY 22 H GLY 22 -14.796 3.864 2.625 139 HA2 GLY 22 1HA GLY 22 -16.446 2.304 2.004 140 HA3 GLY 22 2HA GLY 22 -17.590 3.625 1.810 141 H ARG 23 H ARG 23 -14.373 3.553 0.399 142 HA ARG 23 HA ARG 23 -15.540 3.022 -2.240 143 HB2 ARG 23 1HB ARG 23 -13.649 5.305 -1.641 144 HB3 ARG 23 2HB ARG 23 -14.275 4.870 -3.225 145 HG2 ARG 23 1HG ARG 23 -16.596 5.223 -2.056 146 HG3 ARG 23 2HG ARG 23 -15.639 6.208 -0.947 147 HD2 ARG 23 1HD ARG 23 -14.933 7.646 -2.689 148 HD3 ARG 23 2HD ARG 23 -15.525 6.546 -3.933 149 HE ARG 23 HE ARG 23 -17.576 7.529 -2.173 150 HH11 ARG 23 2HH1 ARG 23 -15.753 8.132 -5.076 151 HH12 ARG 23 1HH1 ARG 23 -16.956 9.165 -5.774 152 HH21 ARG 23 2HH2 ARG 23 -19.168 8.888 -3.080 153 HH22 ARG 23 1HH2 ARG 23 -18.898 9.595 -4.637 154 H MET 24 H MET 24 -13.706 2.791 -3.913 155 HA MET 24 HA MET 24 -11.816 0.879 -2.820 156 HB2 MET 24 1HB MET 24 -13.246 0.743 -5.044 157 HB3 MET 24 2HB MET 24 -11.868 1.605 -5.715 158 HG2 MET 24 1HG MET 24 -10.392 -0.156 -5.224 159 HG3 MET 24 2HG MET 24 -11.557 -0.938 -4.159 160 HE1 MET 24 1HE MET 24 -11.085 -3.017 -5.026 161 HE2 MET 24 2HE MET 24 -12.791 -3.329 -5.344 162 HE3 MET 24 3HE MET 24 -11.583 -3.698 -6.575 163 H ALA 25 H ALA 25 -9.629 1.101 -2.761 164 HA ALA 25 HA ALA 25 -8.427 3.515 -3.906 165 HB1 ALA 25 1HB ALA 25 -9.012 3.282 -1.186 166 HB2 ALA 25 2HB ALA 25 -7.277 2.989 -1.319 167 HB3 ALA 25 3HB ALA 25 -7.971 4.479 -1.958 168 H GLU 26 H GLU 26 -6.054 3.414 -3.973 169 HA GLU 26 HA GLU 26 -4.851 0.793 -3.632 170 HB2 GLU 26 1HB GLU 26 -5.090 2.134 -6.328 171 HB3 GLU 26 2HB GLU 26 -3.975 0.818 -5.988 172 HG2 GLU 26 1HG GLU 26 -5.915 -0.593 -5.359 173 HG3 GLU 26 2HG GLU 26 -6.979 0.717 -5.867 174 H LEU 27 H LEU 27 -2.522 0.826 -3.864 175 HA LEU 27 HA LEU 27 -1.383 3.531 -3.600 176 HB2 LEU 27 1HB LEU 27 -0.884 1.044 -2.011 177 HB3 LEU 27 2HB LEU 27 0.358 2.287 -2.141 178 HG LEU 27 HG LEU 27 -2.417 2.818 -1.092 179 HD11 LEU 27 1HD1 LEU 27 -1.129 1.132 0.259 180 HD12 LEU 27 2HD1 LEU 27 -1.589 2.602 1.116 181 HD13 LEU 27 3HD1 LEU 27 0.068 2.394 0.550 182 HD21 LEU 27 1HD2 LEU 27 0.006 4.422 -0.447 183 HD22 LEU 27 2HD2 LEU 27 -1.683 4.917 -0.551 184 HD23 LEU 27 3HD2 LEU 27 -0.754 4.633 -2.024 185 H LYS 28 H LYS 28 -0.184 3.947 -5.329 186 HA LYS 28 HA LYS 28 0.776 2.104 -7.172 187 HB2 LYS 28 1HB LYS 28 1.573 4.923 -6.504 188 HB3 LYS 28 2HB LYS 28 2.432 4.017 -7.742 189 HG2 LYS 28 1HG LYS 28 0.792 5.317 -8.842 190 HG3 LYS 28 2HG LYS 28 0.224 3.646 -8.869 191 HD2 LYS 28 1HD LYS 28 -0.629 5.367 -6.602 192 HD3 LYS 28 2HD LYS 28 -1.360 5.663 -8.181 193 HE2 LYS 28 1HE LYS 28 -1.208 2.865 -7.169 194 HE3 LYS 28 2HE LYS 28 -2.415 3.949 -6.480 195 HZ1 LYS 28 1HZ LYS 28 -3.673 3.692 -8.267 196 HZ2 LYS 28 2HZ LYS 28 -2.586 2.536 -8.852 197 HZ3 LYS 28 3HZ LYS 28 -2.415 4.158 -9.299 198 H CYS 29 H CYS 29 2.294 0.604 -7.018 199 HA CYS 29 HA CYS 29 4.797 1.163 -5.675 200 HB2 CYS 29 1HB CYS 29 4.690 -0.434 -4.001 201 HB3 CYS 29 2HB CYS 29 3.041 0.178 -4.002 202 HG CYS 29 HG CYS 29 2.879 -2.187 -6.114 203 H ARG 30 H ARG 30 6.423 0.284 -6.780 204 HA ARG 30 HA ARG 30 5.855 -2.039 -8.498 205 HB2 ARG 30 1HB ARG 30 7.264 0.526 -9.168 206 HB3 ARG 30 2HB ARG 30 7.665 -0.957 -10.024 207 HG2 ARG 30 1HG ARG 30 4.806 -0.169 -9.817 208 HG3 ARG 30 2HG ARG 30 5.850 0.705 -10.938 209 HD2 ARG 30 1HD ARG 30 6.467 -1.388 -12.018 210 HD3 ARG 30 2HD ARG 30 5.474 -2.287 -10.871 211 HE ARG 30 HE ARG 30 3.739 -0.527 -12.008 212 HH11 ARG 30 2HH1 ARG 30 5.946 -2.918 -13.245 213 HH12 ARG 30 1HH1 ARG 30 4.990 -3.264 -14.648 214 HH21 ARG 30 2HH2 ARG 30 2.471 -0.974 -13.851 215 HH22 ARG 30 1HH2 ARG 30 3.014 -2.157 -14.992 216 H THR 31 H THR 31 7.083 -3.721 -8.006 217 HA THR 31 HA THR 31 9.750 -3.232 -6.847 218 HB THR 31 HB THR 31 9.493 -5.335 -5.569 219 HG1 THR 31 1HG THR 31 7.940 -6.587 -6.291 220 HG21 THR 31 1HG2 THR 31 8.666 -2.917 -4.841 221 HG22 THR 31 2HG2 THR 31 8.440 -4.328 -3.808 222 HG23 THR 31 3HG2 THR 31 7.107 -3.739 -4.800 223 HA PRO 32 HA PRO 32 11.447 -5.714 -10.051 224 HB2 PRO 32 1HB PRO 32 13.597 -6.776 -8.778 225 HB3 PRO 32 2HB PRO 32 13.513 -5.080 -9.271 226 HG2 PRO 32 1HG PRO 32 13.017 -6.297 -6.581 227 HG3 PRO 32 2HG PRO 32 13.908 -4.821 -6.994 228 HD2 PRO 32 1HD PRO 32 11.367 -4.775 -6.062 229 HD3 PRO 32 2HD PRO 32 11.985 -3.569 -7.208 230 HA PRO 33 HA PRO 33 10.253 -9.935 -9.749 231 HB2 PRO 33 1HB PRO 33 12.217 -11.237 -11.097 232 HB3 PRO 33 2HB PRO 33 11.010 -10.226 -11.899 233 HG2 PRO 33 1HG PRO 33 13.828 -9.566 -11.136 234 HG3 PRO 33 2HG PRO 33 12.958 -9.192 -12.635 235 HD2 PRO 33 1HD PRO 33 13.316 -7.370 -10.664 236 HD3 PRO 33 2HD PRO 33 11.876 -7.382 -11.703 237 H MET 34 H MET 34 10.674 -11.969 -8.762 238 HA MET 34 HA MET 34 11.444 -13.320 -7.104 239 HB2 MET 34 1HB MET 34 14.117 -12.079 -7.780 240 HB3 MET 34 2HB MET 34 13.868 -13.572 -6.884 241 HG2 MET 34 1HG MET 34 12.556 -14.257 -9.063 242 HG3 MET 34 2HG MET 34 13.592 -13.030 -9.788 243 HE1 MET 34 1HE MET 34 14.892 -16.723 -10.589 244 HE2 MET 34 2HE MET 34 13.432 -15.750 -10.767 245 HE3 MET 34 3HE MET 34 14.967 -15.162 -11.407 246 H SER 35 H SER 35 10.372 -10.849 -6.305 247 HA SER 35 HA SER 35 11.903 -10.378 -3.836 248 HB2 SER 35 1HB SER 35 10.496 -8.316 -5.545 249 HB3 SER 35 2HB SER 35 11.104 -8.001 -3.920 250 HG SER 35 HG SER 35 12.495 -8.387 -6.303 251 H SER 36 H SER 36 10.545 -9.448 -2.073 252 HA SER 36 HA SER 36 7.882 -10.695 -2.129 253 HB2 SER 36 1HB SER 36 9.403 -11.592 -0.422 254 HB3 SER 36 2HB SER 36 9.625 -9.974 0.241 255 HG SER 36 HG SER 36 7.367 -9.961 0.697 256 H VAL 37 H VAL 37 6.077 -9.532 -1.713 257 HA VAL 37 HA VAL 37 6.433 -6.637 -1.316 258 HB VAL 37 HB VAL 37 4.115 -8.126 -2.555 259 HG11 VAL 37 1HG1 VAL 37 3.953 -5.760 -1.226 260 HG12 VAL 37 2HG1 VAL 37 4.289 -5.215 -2.870 261 HG13 VAL 37 3HG1 VAL 37 2.892 -6.242 -2.549 262 HG21 VAL 37 1HG2 VAL 37 6.560 -7.410 -3.664 263 HG22 VAL 37 2HG2 VAL 37 5.094 -7.852 -4.538 264 HG23 VAL 37 3HG2 VAL 37 5.444 -6.156 -4.204 265 H LYS 38 H LYS 38 5.909 -5.867 0.611 266 HA LYS 38 HA LYS 38 3.701 -7.117 2.093 267 HB2 LYS 38 1HB LYS 38 6.509 -6.686 2.978 268 HB3 LYS 38 2HB LYS 38 5.236 -6.395 4.156 269 HG2 LYS 38 1HG LYS 38 4.374 -8.698 3.635 270 HG3 LYS 38 2HG LYS 38 5.852 -8.954 2.705 271 HD2 LYS 38 1HD LYS 38 7.182 -8.991 4.570 272 HD3 LYS 38 2HD LYS 38 6.099 -7.949 5.495 273 HE2 LYS 38 1HE LYS 38 5.770 -9.981 6.526 274 HE3 LYS 38 2HE LYS 38 4.470 -9.981 5.335 275 HZ1 LYS 38 1HZ LYS 38 5.352 -11.721 4.292 276 HZ2 LYS 38 2HZ LYS 38 6.332 -11.933 5.654 277 HZ3 LYS 38 3HZ LYS 38 6.916 -11.077 4.317 278 H TRP 39 H TRP 39 2.636 -5.724 3.602 279 HA TRP 39 HA TRP 39 3.226 -2.864 3.304 280 HB2 TRP 39 1HB TRP 39 0.628 -4.258 2.732 281 HB3 TRP 39 2HB TRP 39 0.639 -2.580 3.269 282 HD1 TRP 39 HD TRP 39 1.495 -4.773 0.273 283 HE1 TRP 39 1HE TRP 39 1.929 -3.263 -1.766 284 HE3 TRP 39 3HE TRP 39 1.473 -0.226 2.611 285 HZ2 TRP 39 2HZ TRP 39 2.224 -0.509 -2.311 286 HZ3 TRP 39 3HZ TRP 39 1.839 1.797 1.259 287 HH2 TRP 39 HH TRP 39 2.207 1.656 -1.150 288 H LEU 40 H LEU 40 3.434 -1.950 5.230 289 HA LEU 40 HA LEU 40 2.413 -3.311 7.590 290 HB2 LEU 40 1HB LEU 40 4.764 -2.289 7.297 291 HB3 LEU 40 2HB LEU 40 3.965 -0.747 7.597 292 HG LEU 40 HG LEU 40 3.616 -2.970 9.559 293 HD11 LEU 40 1HD1 LEU 40 5.666 -1.772 10.698 294 HD12 LEU 40 2HD1 LEU 40 6.121 -1.460 9.024 295 HD13 LEU 40 3HD1 LEU 40 5.895 -3.118 9.581 296 HD21 LEU 40 1HD2 LEU 40 4.052 -0.093 10.200 297 HD22 LEU 40 2HD2 LEU 40 3.062 -1.296 11.026 298 HD23 LEU 40 3HD2 LEU 40 2.509 -0.590 9.507 299 H LEU 41 H LEU 41 1.014 -2.392 9.090 300 HA LEU 41 HA LEU 41 -0.582 -0.148 8.056 301 HB2 LEU 41 1HB LEU 41 -1.376 -2.201 10.113 302 HB3 LEU 41 2HB LEU 41 -2.418 -0.993 9.365 303 HG LEU 41 HG LEU 41 -2.899 -3.149 8.422 304 HD11 LEU 41 1HD1 LEU 41 -1.398 -2.176 6.130 305 HD12 LEU 41 2HD1 LEU 41 -2.284 -0.900 6.963 306 HD13 LEU 41 3HD1 LEU 41 -3.140 -2.322 6.367 307 HD21 LEU 41 1HD2 LEU 41 -0.475 -3.948 8.950 308 HD22 LEU 41 2HD2 LEU 41 -0.137 -3.390 7.311 309 HD23 LEU 41 3HD2 LEU 41 -1.353 -4.639 7.586 310 HA PRO 42 HA PRO 42 0.617 2.428 11.406 311 HB2 PRO 42 1HB PRO 42 -1.618 3.941 11.694 312 HB3 PRO 42 2HB PRO 42 -0.504 4.122 10.334 313 HG2 PRO 42 1HG PRO 42 -3.111 2.657 10.464 314 HG3 PRO 42 2HG PRO 42 -2.483 3.712 9.184 315 HD2 PRO 42 1HD PRO 42 -2.398 1.010 9.019 316 HD3 PRO 42 2HD PRO 42 -1.156 2.051 8.294 317 H ASN 43 H ASN 43 -1.538 -0.036 11.747 318 HA ASN 43 HA ASN 43 -2.315 0.657 14.486 319 HB2 ASN 43 1HB ASN 43 -3.655 -1.532 14.256 320 HB3 ASN 43 2HB ASN 43 -4.188 -0.143 13.313 321 HD21 ASN 43 1HD2 ASN 43 -2.187 -3.048 13.122 322 HD22 ASN 43 2HD2 ASN 43 -2.493 -3.362 11.451 323 H GLY 44 H GLY 44 -0.034 -1.179 12.744 324 HA2 GLY 44 1HA GLY 44 1.878 -2.040 13.957 325 HA3 GLY 44 2HA GLY 44 0.781 -2.507 15.248 326 H THR 45 H THR 45 1.091 -3.082 11.740 327 HA THR 45 HA THR 45 1.422 -5.892 12.080 328 HB THR 45 HB THR 45 -1.163 -5.201 10.719 329 HG1 THR 45 1HG THR 45 -2.149 -4.986 12.583 330 HG21 THR 45 1HG2 THR 45 -0.866 -7.390 10.255 331 HG22 THR 45 2HG2 THR 45 -1.458 -7.627 11.899 332 HG23 THR 45 3HG2 THR 45 0.276 -7.620 11.578 333 H VAL 46 H VAL 46 1.095 -7.019 9.842 334 HA VAL 46 HA VAL 46 1.602 -5.249 7.590 335 HB VAL 46 HB VAL 46 3.620 -7.300 8.507 336 HG11 VAL 46 1HG1 VAL 46 3.105 -6.092 5.863 337 HG12 VAL 46 2HG1 VAL 46 4.790 -6.137 6.387 338 HG13 VAL 46 3HG1 VAL 46 3.857 -7.631 6.283 339 HG21 VAL 46 1HG2 VAL 46 4.064 -4.380 7.949 340 HG22 VAL 46 2HG2 VAL 46 3.600 -4.976 9.542 341 HG23 VAL 46 3HG2 VAL 46 5.115 -5.504 8.810 342 H LEU 47 H LEU 47 1.056 -6.132 5.632 343 HA LEU 47 HA LEU 47 0.042 -8.898 5.687 344 HB2 LEU 47 1HB LEU 47 -1.030 -6.496 4.220 345 HB3 LEU 47 2HB LEU 47 -1.575 -8.148 3.936 346 HG LEU 47 HG LEU 47 -1.823 -6.693 6.568 347 HD11 LEU 47 1HD1 LEU 47 -3.693 -6.979 4.248 348 HD12 LEU 47 2HD1 LEU 47 -3.286 -5.540 5.181 349 HD13 LEU 47 3HD1 LEU 47 -4.305 -6.792 5.891 350 HD21 LEU 47 1HD2 LEU 47 -3.622 -8.893 6.115 351 HD22 LEU 47 2HD2 LEU 47 -2.485 -8.627 7.437 352 HD23 LEU 47 3HD2 LEU 47 -1.945 -9.416 5.954 353 H SER 48 H SER 48 0.038 -10.002 3.588 354 HA SER 48 HA SER 48 1.879 -8.956 1.587 355 HB2 SER 48 1HB SER 48 3.411 -10.759 1.667 356 HB3 SER 48 2HB SER 48 3.184 -10.284 3.350 357 HG SER 48 HG SER 48 1.427 -12.006 3.216 358 H HIS 49 H HIS 49 2.027 -10.515 -0.310 359 HA HIS 49 HA HIS 49 -0.370 -10.886 -1.522 360 HB2 HIS 49 1HB HIS 49 1.870 -11.148 -2.598 361 HB3 HIS 49 2HB HIS 49 1.983 -12.752 -1.879 362 HD1 HIS 49 1HD HIS 49 -0.645 -10.955 -3.982 363 HD2 HIS 49 2HD HIS 49 1.307 -14.611 -3.703 364 HE1 HIS 49 1HE HIS 49 -1.569 -12.354 -5.856 365 HE2 HIS 49 2HE HIS 49 -0.435 -14.591 -5.615 366 H ALA 50 H ALA 50 0.980 -12.827 0.984 367 HA ALA 50 HA ALA 50 -0.657 -15.140 0.517 368 HB1 ALA 50 1HB ALA 50 1.535 -15.259 1.653 369 HB2 ALA 50 2HB ALA 50 0.849 -14.370 3.013 370 HB3 ALA 50 3HB ALA 50 0.228 -15.969 2.602 371 H SER 51 H SER 51 -0.684 -12.494 2.898 372 HA SER 51 HA SER 51 -2.686 -13.066 4.557 373 HB2 SER 51 1HB SER 51 -3.197 -10.739 4.752 374 HB3 SER 51 2HB SER 51 -1.487 -10.844 4.335 375 HG SER 51 HG SER 51 -1.947 -9.656 2.679 376 H ARG 52 H ARG 52 -4.925 -13.083 4.625 377 HA ARG 52 HA ARG 52 -6.231 -13.331 2.001 378 HB2 ARG 52 1HB ARG 52 -7.929 -14.682 3.168 379 HB3 ARG 52 2HB ARG 52 -6.316 -15.361 3.337 380 HG2 ARG 52 1HG ARG 52 -6.341 -13.940 5.565 381 HG3 ARG 52 2HG ARG 52 -8.085 -14.135 5.376 382 HD2 ARG 52 1HD ARG 52 -7.932 -16.486 5.457 383 HD3 ARG 52 2HD ARG 52 -6.185 -16.457 5.219 384 HE ARG 52 HE ARG 52 -5.927 -16.166 7.470 385 HH11 ARG 52 2HH1 ARG 52 -9.206 -15.384 6.601 386 HH12 ARG 52 1HH1 ARG 52 -9.734 -15.198 8.240 387 HH21 ARG 52 2HH2 ARG 52 -6.610 -15.923 9.633 388 HH22 ARG 52 1HH2 ARG 52 -8.257 -15.504 9.964 389 H HIS 53 H HIS 53 -5.738 -10.926 3.898 390 HA HIS 53 HA HIS 53 -8.074 -9.969 4.990 391 HB2 HIS 53 1HB HIS 53 -5.651 -8.940 4.823 392 HB3 HIS 53 2HB HIS 53 -6.342 -8.077 3.452 393 HD1 HIS 53 1HD HIS 53 -8.631 -6.696 4.089 394 HD2 HIS 53 2HD HIS 53 -6.086 -7.728 7.206 395 HE1 HIS 53 1HE HIS 53 -9.261 -5.187 5.999 396 HE2 HIS 53 2HE HIS 53 -7.651 -5.771 7.845 397 HA PRO 54 HA PRO 54 -10.794 -9.584 1.518 398 HB2 PRO 54 1HB PRO 54 -12.745 -8.179 2.780 399 HB3 PRO 54 2HB PRO 54 -12.498 -9.912 3.024 400 HG2 PRO 54 1HG PRO 54 -11.613 -7.614 4.726 401 HG3 PRO 54 2HG PRO 54 -12.320 -9.164 5.219 402 HD2 PRO 54 1HD PRO 54 -9.661 -8.668 5.349 403 HD3 PRO 54 2HD PRO 54 -10.316 -10.285 5.018 404 H ARG 55 H ARG 55 -10.448 -6.682 3.574 405 HA ARG 55 HA ARG 55 -10.988 -4.878 1.438 406 HB2 ARG 55 1HB ARG 55 -10.099 -4.638 4.271 407 HB3 ARG 55 2HB ARG 55 -9.824 -3.265 3.208 408 HG2 ARG 55 1HG ARG 55 -12.060 -2.835 2.954 409 HG3 ARG 55 2HG ARG 55 -12.528 -4.505 3.281 410 HD2 ARG 55 1HD ARG 55 -13.030 -2.725 5.066 411 HD3 ARG 55 2HD ARG 55 -12.304 -4.246 5.583 412 HE ARG 55 HE ARG 55 -10.375 -2.198 5.016 413 HH11 ARG 55 2HH1 ARG 55 -12.519 -3.509 7.426 414 HH12 ARG 55 1HH1 ARG 55 -11.611 -2.883 8.762 415 HH21 ARG 55 2HH2 ARG 55 -9.171 -1.369 6.766 416 HH22 ARG 55 1HH2 ARG 55 -9.707 -1.665 8.386 417 H ILE 56 H ILE 56 -7.996 -5.190 3.356 418 HA ILE 56 HA ILE 56 -6.409 -3.927 1.361 419 HB ILE 56 HB ILE 56 -5.390 -5.648 3.617 420 HG12 ILE 56 1HG1 ILE 56 -5.718 -2.678 3.838 421 HG13 ILE 56 2HG1 ILE 56 -7.093 -3.727 4.165 422 HG21 ILE 56 1HG2 ILE 56 -3.723 -3.473 3.254 423 HG22 ILE 56 2HG2 ILE 56 -3.431 -5.120 2.697 424 HG23 ILE 56 3HG2 ILE 56 -4.172 -3.942 1.614 425 HD11 ILE 56 1HD1 ILE 56 -5.913 -4.816 5.939 426 HD12 ILE 56 2HD1 ILE 56 -4.431 -3.945 5.544 427 HD13 ILE 56 3HD1 ILE 56 -5.824 -3.071 6.181 428 H SER 57 H SER 57 -6.212 -4.901 -0.568 429 HA SER 57 HA SER 57 -5.395 -7.733 -0.596 430 HB2 SER 57 1HB SER 57 -7.204 -6.161 -2.376 431 HB3 SER 57 2HB SER 57 -6.247 -7.454 -3.097 432 HG SER 57 HG SER 57 -7.634 -8.792 -2.290 433 H VAL 58 H VAL 58 -3.411 -8.148 -1.298 434 HA VAL 58 HA VAL 58 -1.837 -6.004 -2.478 435 HB VAL 58 HB VAL 58 -1.027 -8.774 -1.583 436 HG11 VAL 58 1HG1 VAL 58 0.362 -7.787 -3.426 437 HG12 VAL 58 2HG1 VAL 58 0.775 -6.476 -2.320 438 HG13 VAL 58 3HG1 VAL 58 1.238 -8.134 -1.936 439 HG21 VAL 58 1HG2 VAL 58 -1.722 -6.686 -0.003 440 HG22 VAL 58 2HG2 VAL 58 -0.557 -7.929 0.451 441 HG23 VAL 58 3HG2 VAL 58 0.005 -6.392 -0.204 442 H LEU 59 H LEU 59 -2.548 -5.833 -4.586 443 HA LEU 59 HA LEU 59 -3.197 -7.791 -6.382 444 HB2 LEU 59 1HB LEU 59 -1.730 -5.205 -6.847 445 HB3 LEU 59 2HB LEU 59 -2.345 -6.220 -8.149 446 HG LEU 59 HG LEU 59 -3.832 -4.504 -6.212 447 HD11 LEU 59 1HD1 LEU 59 -4.703 -3.524 -8.079 448 HD12 LEU 59 2HD1 LEU 59 -4.593 -4.997 -9.043 449 HD13 LEU 59 3HD1 LEU 59 -3.144 -4.047 -8.716 450 HD21 LEU 59 1HD2 LEU 59 -4.800 -7.064 -7.432 451 HD22 LEU 59 2HD2 LEU 59 -5.912 -5.735 -7.103 452 HD23 LEU 59 3HD2 LEU 59 -5.000 -6.470 -5.784 453 H ASN 60 H ASN 60 -2.122 -9.092 -7.839 454 HA ASN 60 HA ASN 60 0.127 -10.417 -7.157 455 HB2 ASN 60 1HB ASN 60 0.458 -10.713 -9.737 456 HB3 ASN 60 2HB ASN 60 -0.989 -11.352 -8.963 457 HD21 ASN 60 1HD2 ASN 60 0.119 -9.639 -11.528 458 HD22 ASN 60 2HD2 ASN 60 -1.322 -8.784 -11.952 459 H ASP 61 H ASP 61 0.026 -7.477 -9.138 460 HA ASP 61 HA ASP 61 2.786 -7.316 -9.652 461 HB2 ASP 61 1HB ASP 61 0.890 -6.016 -10.771 462 HB3 ASP 61 2HB ASP 61 0.960 -4.931 -9.385 463 H GLY 62 H GLY 62 0.821 -6.215 -6.953 464 HA2 GLY 62 1HA GLY 62 2.250 -6.296 -4.832 465 HA3 GLY 62 2HA GLY 62 3.243 -5.118 -5.677 466 H THR 63 H THR 63 0.611 -4.058 -6.856 467 HA THR 63 HA THR 63 0.307 -1.856 -5.186 468 HB THR 63 HB THR 63 -1.728 -2.990 -7.115 469 HG1 THR 63 1HG THR 63 -0.744 -1.224 -8.433 470 HG21 THR 63 1HG2 THR 63 -3.053 -1.406 -6.229 471 HG22 THR 63 2HG2 THR 63 -2.025 -0.265 -7.097 472 HG23 THR 63 3HG2 THR 63 -1.711 -0.620 -5.398 473 H LEU 64 H LEU 64 -0.913 -1.399 -3.441 474 HA LEU 64 HA LEU 64 -2.415 -3.603 -2.245 475 HB2 LEU 64 1HB LEU 64 -0.610 -2.190 -1.054 476 HB3 LEU 64 2HB LEU 64 -1.871 -0.965 -0.932 477 HG LEU 64 HG LEU 64 -3.267 -2.704 0.263 478 HD11 LEU 64 1HD1 LEU 64 -1.710 -4.573 -0.592 479 HD12 LEU 64 2HD1 LEU 64 -2.326 -4.670 1.057 480 HD13 LEU 64 3HD1 LEU 64 -0.677 -4.119 0.763 481 HD21 LEU 64 1HD2 LEU 64 -0.799 -2.240 1.851 482 HD22 LEU 64 2HD2 LEU 64 -2.490 -1.989 2.285 483 HD23 LEU 64 3HD2 LEU 64 -1.668 -0.836 1.232 484 H ASN 65 H ASN 65 -4.455 -3.670 -2.976 485 HA ASN 65 HA ASN 65 -5.937 -1.202 -3.416 486 HB2 ASN 65 1HB ASN 65 -6.191 -2.861 -5.133 487 HB3 ASN 65 2HB ASN 65 -6.597 -4.102 -3.950 488 HD21 ASN 65 1HD2 ASN 65 -7.828 -2.005 -6.170 489 HD22 ASN 65 2HD2 ASN 65 -9.462 -1.930 -5.614 490 H PHE 66 H PHE 66 -8.013 -0.825 -2.466 491 HA PHE 66 HA PHE 66 -8.513 -2.286 0.035 492 HB2 PHE 66 1HB PHE 66 -8.462 0.716 -0.318 493 HB3 PHE 66 2HB PHE 66 -9.105 -0.098 1.104 494 HD1 PHE 66 1HD PHE 66 -6.005 -0.086 -0.973 495 HD2 PHE 66 2HD PHE 66 -7.719 -0.303 2.916 496 HE1 PHE 66 1HE PHE 66 -3.751 -0.128 0.014 497 HE2 PHE 66 2HE PHE 66 -5.469 -0.345 3.910 498 HZ PHE 66 HZ PHE 66 -3.481 -0.256 2.459 499 H SER 67 H SER 67 -10.354 -3.319 -0.475 500 HA SER 67 HA SER 67 -12.304 -2.714 -2.255 501 HB2 SER 67 1HB SER 67 -12.303 -4.792 -0.971 502 HB3 SER 67 2HB SER 67 -12.721 -3.908 0.497 503 HG SER 67 HG SER 67 -14.559 -4.851 -0.482 504 H HIS 68 H HIS 68 -12.416 -1.752 1.178 505 HA HIS 68 HA HIS 68 -13.735 0.729 0.435 506 HB2 HIS 68 1HB HIS 68 -15.591 0.400 2.013 507 HB3 HIS 68 2HB HIS 68 -15.613 -0.813 0.737 508 HD1 HIS 68 1HD HIS 68 -14.630 -3.225 1.460 509 HD2 HIS 68 2HD HIS 68 -15.590 -0.610 4.543 510 HE1 HIS 68 1HE HIS 68 -14.791 -4.650 3.526 511 HE2 HIS 68 2HE HIS 68 -15.456 -3.060 5.362 512 H VAL 69 H VAL 69 -12.295 2.083 1.320 513 HA VAL 69 HA VAL 69 -10.873 1.531 3.727 514 HB VAL 69 HB VAL 69 -10.074 3.860 3.559 515 HG11 VAL 69 1HG1 VAL 69 -8.550 3.059 2.159 516 HG12 VAL 69 2HG1 VAL 69 -9.654 1.750 1.732 517 HG13 VAL 69 3HG1 VAL 69 -9.660 3.249 0.802 518 HG21 VAL 69 1HG2 VAL 69 -11.920 5.070 2.760 519 HG22 VAL 69 2HG2 VAL 69 -10.758 5.098 1.433 520 HG23 VAL 69 3HG2 VAL 69 -12.135 3.997 1.377 521 H LEU 70 H LEU 70 -11.121 2.394 5.772 522 HA LEU 70 HA LEU 70 -13.694 3.734 6.288 523 HB2 LEU 70 1HB LEU 70 -12.221 1.977 8.233 524 HB3 LEU 70 2HB LEU 70 -13.869 2.590 8.360 525 HG LEU 70 HG LEU 70 -13.065 0.679 6.186 526 HD11 LEU 70 1HD1 LEU 70 -13.042 0.122 8.959 527 HD12 LEU 70 2HD1 LEU 70 -12.877 -1.004 7.612 528 HD13 LEU 70 3HD1 LEU 70 -14.473 -0.646 8.271 529 HD21 LEU 70 1HD2 LEU 70 -15.563 0.106 6.575 530 HD22 LEU 70 2HD2 LEU 70 -15.141 1.568 5.684 531 HD23 LEU 70 3HD2 LEU 70 -15.621 1.675 7.378 532 H LEU 71 H LEU 71 -13.751 5.231 8.059 533 HA LEU 71 HA LEU 71 -11.817 7.158 8.074 534 HB2 LEU 71 1HB LEU 71 -13.661 6.372 10.322 535 HB3 LEU 71 2HB LEU 71 -12.735 7.870 10.275 536 HG LEU 71 HG LEU 71 -14.926 7.072 8.360 537 HD11 LEU 71 1HD1 LEU 71 -16.350 8.049 9.748 538 HD12 LEU 71 2HD1 LEU 71 -15.361 9.508 9.797 539 HD13 LEU 71 3HD1 LEU 71 -15.051 8.195 10.932 540 HD21 LEU 71 1HD2 LEU 71 -13.201 9.540 8.509 541 HD22 LEU 71 2HD2 LEU 71 -14.675 9.413 7.548 542 HD23 LEU 71 3HD2 LEU 71 -13.294 8.377 7.186 543 H SER 72 H SER 72 -12.013 4.313 10.152 544 HA SER 72 HA SER 72 -9.876 4.985 11.867 545 HB2 SER 72 1HB SER 72 -11.678 3.136 12.119 546 HB3 SER 72 2HB SER 72 -10.578 2.145 11.161 547 HG SER 72 HG SER 72 -9.196 2.080 12.783 548 H ASP 73 H ASP 73 -10.017 3.368 8.753 549 HA ASP 73 HA ASP 73 -7.456 2.284 8.649 550 HB2 ASP 73 1HB ASP 73 -9.112 3.456 6.405 551 HB3 ASP 73 2HB ASP 73 -7.688 2.444 6.181 552 H THR 74 H THR 74 -8.506 5.574 8.415 553 HA THR 74 HA THR 74 -6.488 6.805 7.009 554 HB THR 74 HB THR 74 -7.867 7.810 9.506 555 HG1 THR 74 1HG THR 74 -9.470 8.112 8.171 556 HG21 THR 74 1HG2 THR 74 -6.775 9.761 9.340 557 HG22 THR 74 2HG2 THR 74 -6.921 9.789 7.583 558 HG23 THR 74 3HG2 THR 74 -5.613 8.885 8.344 559 H GLY 75 H GLY 75 -4.360 7.016 7.260 560 HA2 GLY 75 1HA GLY 75 -2.983 7.574 9.591 561 HA3 GLY 75 2HA GLY 75 -3.009 5.821 9.465 562 H VAL 76 H VAL 76 -0.840 5.535 9.105 563 HA VAL 76 HA VAL 76 0.154 6.546 6.523 564 HB VAL 76 HB VAL 76 1.655 6.346 9.130 565 HG11 VAL 76 1HG1 VAL 76 3.025 5.378 7.355 566 HG12 VAL 76 2HG1 VAL 76 2.784 6.825 6.373 567 HG13 VAL 76 3HG1 VAL 76 3.678 6.925 7.891 568 HG21 VAL 76 1HG2 VAL 76 2.043 8.681 8.864 569 HG22 VAL 76 2HG2 VAL 76 1.384 8.667 7.228 570 HG23 VAL 76 3HG2 VAL 76 0.320 8.407 8.610 571 H TYR 77 H TYR 77 0.775 5.005 5.161 572 HA TYR 77 HA TYR 77 1.189 2.294 6.220 573 HB2 TYR 77 1HB TYR 77 0.423 3.222 3.445 574 HB3 TYR 77 2HB TYR 77 0.717 1.545 3.890 575 HD1 TYR 77 2HD TYR 77 -1.445 4.464 4.703 576 HD2 TYR 77 1HD TYR 77 -1.023 0.230 4.725 577 HE1 TYR 77 2HE TYR 77 -3.798 4.239 5.380 578 HE2 TYR 77 1HE TYR 77 -3.376 -0.006 5.402 579 HH TYR 77 HH TYR 77 -5.221 2.547 6.560 580 H THR 78 H THR 78 2.845 0.968 5.241 581 HA THR 78 HA THR 78 5.017 2.457 3.943 582 HB THR 78 HB THR 78 5.425 0.587 6.285 583 HG1 THR 78 1HG THR 78 5.048 3.307 6.100 584 HG21 THR 78 1HG2 THR 78 7.557 2.357 5.197 585 HG22 THR 78 2HG2 THR 78 7.170 0.881 4.312 586 HG23 THR 78 3HG2 THR 78 7.688 0.790 5.995 587 H CYS 79 H CYS 79 6.174 1.319 2.448 588 HA CYS 79 HA CYS 79 5.224 -1.406 1.889 589 HB2 CYS 79 1HB CYS 79 4.870 0.283 0.108 590 HB3 CYS 79 2HB CYS 79 6.609 0.540 0.032 591 HG CYS 79 HG CYS 79 5.190 -1.215 -1.998 592 H MET 80 H MET 80 6.633 -3.092 1.656 593 HA MET 80 HA MET 80 9.445 -2.529 2.331 594 HB2 MET 80 1HB MET 80 7.941 -5.097 2.846 595 HB3 MET 80 2HB MET 80 9.553 -4.681 3.412 596 HG2 MET 80 1HG MET 80 8.530 -2.828 4.729 597 HG3 MET 80 2HG MET 80 6.948 -3.454 4.271 598 HE1 MET 80 1HE MET 80 5.879 -4.073 6.420 599 HE2 MET 80 2HE MET 80 6.703 -4.798 7.801 600 HE3 MET 80 3HE MET 80 7.155 -3.183 7.252 601 H VAL 81 H VAL 81 11.064 -3.509 1.164 602 HA VAL 81 HA VAL 81 10.293 -5.277 -1.045 603 HB VAL 81 HB VAL 81 12.047 -2.840 -1.386 604 HG11 VAL 81 1HG1 VAL 81 11.486 -5.211 -3.081 605 HG12 VAL 81 2HG1 VAL 81 11.619 -3.642 -3.877 606 HG13 VAL 81 3HG1 VAL 81 12.962 -4.261 -2.915 607 HG21 VAL 81 1HG2 VAL 81 10.198 -1.714 -1.879 608 HG22 VAL 81 2HG2 VAL 81 9.834 -2.870 -3.160 609 HG23 VAL 81 3HG2 VAL 81 9.222 -3.141 -1.528 610 H THR 82 H THR 82 11.435 -7.070 -0.776 611 HA THR 82 HA THR 82 14.215 -6.843 0.178 612 HB THR 82 HB THR 82 12.363 -9.214 0.486 613 HG1 THR 82 1HG THR 82 12.973 -8.336 2.833 614 HG21 THR 82 1HG2 THR 82 15.226 -8.710 1.166 615 HG22 THR 82 2HG2 THR 82 14.462 -10.164 0.524 616 HG23 THR 82 3HG2 THR 82 14.263 -9.740 2.224 617 H ASN 83 H ASN 83 15.721 -7.337 -1.264 618 HA ASN 83 HA ASN 83 15.221 -9.455 -3.213 619 HB2 ASN 83 1HB ASN 83 14.613 -7.343 -4.341 620 HB3 ASN 83 2HB ASN 83 16.218 -6.706 -3.994 621 HD21 ASN 83 1HD2 ASN 83 14.371 -8.090 -6.305 622 HD22 ASN 83 2HD2 ASN 83 15.604 -8.780 -7.298 623 H VAL 84 H VAL 84 16.941 -10.738 -3.496 624 HA VAL 84 HA VAL 84 19.075 -10.966 -1.921 625 HB VAL 84 HB VAL 84 18.572 -12.517 -3.782 626 HG11 VAL 84 1HG1 VAL 84 20.214 -10.840 -5.623 627 HG12 VAL 84 2HG1 VAL 84 19.012 -12.077 -5.995 628 HG13 VAL 84 3HG1 VAL 84 18.497 -10.486 -5.434 629 HG21 VAL 84 1HG2 VAL 84 21.233 -12.462 -4.502 630 HG22 VAL 84 2HG2 VAL 84 21.218 -11.650 -2.936 631 HG23 VAL 84 3HG2 VAL 84 20.557 -13.277 -3.092 632 H ALA 85 H ALA 85 18.912 -8.774 -4.690 633 HA ALA 85 HA ALA 85 21.595 -7.865 -4.508 634 HB1 ALA 85 1HB ALA 85 21.072 -6.384 -6.203 635 HB2 ALA 85 2HB ALA 85 19.899 -7.675 -6.463 636 HB3 ALA 85 3HB ALA 85 19.406 -6.185 -5.659 637 H GLY 86 H GLY 86 18.508 -6.450 -3.422 638 HA2 GLY 86 1HA GLY 86 19.753 -5.282 -1.120 639 HA3 GLY 86 2HA GLY 86 19.383 -4.083 -2.350 640 H ASN 87 H ASN 87 18.166 -3.582 -0.116 641 HA ASN 87 HA ASN 87 15.386 -4.363 -0.619 642 HB2 ASN 87 1HB ASN 87 14.977 -4.633 1.794 643 HB3 ASN 87 2HB ASN 87 16.165 -5.794 1.208 644 HD21 ASN 87 1HD2 ASN 87 15.939 -5.214 3.873 645 HD22 ASN 87 2HD2 ASN 87 17.344 -4.357 4.400 646 H SER 88 H SER 88 13.885 -2.776 -0.249 647 HA SER 88 HA SER 88 14.739 -0.283 1.009 648 HB2 SER 88 1HB SER 88 15.164 -0.200 -1.515 649 HB3 SER 88 2HB SER 88 13.411 -0.221 -1.700 650 HG SER 88 HG SER 88 14.386 1.910 -1.625 651 H ASN 89 H ASN 89 12.840 1.269 1.173 652 HA ASN 89 HA ASN 89 10.220 0.034 1.141 653 HB2 ASN 89 1HB ASN 89 9.796 0.496 3.538 654 HB3 ASN 89 2HB ASN 89 11.051 -0.717 3.301 655 HD21 ASN 89 1HD2 ASN 89 10.277 2.378 4.539 656 HD22 ASN 89 2HD2 ASN 89 11.828 2.747 5.205 657 H ALA 90 H ALA 90 8.497 1.567 1.623 658 HA ALA 90 HA ALA 90 9.305 4.385 1.496 659 HB1 ALA 90 1HB ALA 90 8.691 3.282 -0.787 660 HB2 ALA 90 2HB ALA 90 7.034 3.466 -0.209 661 HB3 ALA 90 3HB ALA 90 8.070 4.883 -0.383 662 H SER 91 H SER 91 7.313 5.835 1.773 663 HA SER 91 HA SER 91 5.335 4.604 3.560 664 HB2 SER 91 1HB SER 91 5.562 6.735 4.987 665 HB3 SER 91 2HB SER 91 6.830 5.518 5.139 666 HG SER 91 HG SER 91 8.188 6.771 3.970 667 H ALA 92 H ALA 92 3.431 5.984 3.920 668 HA ALA 92 HA ALA 92 2.948 8.275 2.312 669 HB1 ALA 92 1HB ALA 92 1.894 7.486 0.486 670 HB2 ALA 92 2HB ALA 92 2.847 6.037 0.809 671 HB3 ALA 92 3HB ALA 92 1.172 6.131 1.355 672 H TYR 93 H TYR 93 0.656 8.979 2.434 673 HA TYR 93 HA TYR 93 -0.607 7.961 4.894 674 HB2 TYR 93 1HB TYR 93 0.320 10.279 5.039 675 HB3 TYR 93 2HB TYR 93 -0.800 10.761 3.770 676 HD1 TYR 93 1HD TYR 93 -0.539 9.612 7.264 677 HD2 TYR 93 2HD TYR 93 -3.112 11.147 4.243 678 HE1 TYR 93 1HE TYR 93 -2.262 10.050 8.963 679 HE2 TYR 93 2HE TYR 93 -4.842 11.591 5.934 680 HH TYR 93 HH TYR 93 -4.258 10.943 9.374 681 H LEU 94 H LEU 94 -2.963 8.196 5.004 682 HA LEU 94 HA LEU 94 -4.327 8.351 2.426 683 HB2 LEU 94 1HB LEU 94 -3.945 6.034 2.530 684 HB3 LEU 94 2HB LEU 94 -4.308 5.970 4.253 685 HG LEU 94 HG LEU 94 -6.704 6.698 3.444 686 HD11 LEU 94 1HD1 LEU 94 -5.651 5.252 1.019 687 HD12 LEU 94 2HD1 LEU 94 -5.993 6.980 1.091 688 HD13 LEU 94 3HD1 LEU 94 -7.301 5.814 1.288 689 HD21 LEU 94 1HD2 LEU 94 -5.846 4.527 4.535 690 HD22 LEU 94 2HD2 LEU 94 -5.907 3.860 2.904 691 HD23 LEU 94 3HD2 LEU 94 -7.375 4.483 3.658 692 H ASN 95 H ASN 95 -5.697 9.974 2.812 693 HA ASN 95 HA ASN 95 -6.951 10.271 5.415 694 HB2 ASN 95 1HB ASN 95 -6.130 12.283 4.332 695 HB3 ASN 95 2HB ASN 95 -7.110 11.953 2.906 696 HD21 ASN 95 1HD2 ASN 95 -7.842 14.168 3.380 697 HD22 ASN 95 2HD2 ASN 95 -9.161 14.373 4.477 698 H VAL 96 H VAL 96 -8.966 9.673 5.910 699 HA VAL 96 HA VAL 96 -10.740 8.828 3.711 700 HB VAL 96 HB VAL 96 -10.536 7.622 6.474 701 HG11 VAL 96 1HG1 VAL 96 -12.814 7.785 5.114 702 HG12 VAL 96 2HG1 VAL 96 -12.133 6.369 4.311 703 HG13 VAL 96 3HG1 VAL 96 -12.382 6.359 6.057 704 HG21 VAL 96 1HG2 VAL 96 -10.084 6.055 3.996 705 HG22 VAL 96 2HG2 VAL 96 -8.808 7.160 4.508 706 HG23 VAL 96 3HG2 VAL 96 -9.357 5.883 5.594 707 H SER 97 H SER 97 -12.407 10.159 3.517 708 HA SER 97 HA SER 97 -13.396 11.566 5.898 709 HB2 SER 97 1HB SER 97 -12.758 13.059 4.106 710 HB3 SER 97 2HB SER 97 -13.741 12.160 2.951 711 HG SER 97 HG SER 97 -14.566 14.210 4.110 712 H SER 98 H SER 98 -15.358 11.163 6.706 713 HA SER 98 HA SER 98 -16.869 8.948 5.758 714 HB2 SER 98 1HB SER 98 -18.523 9.714 7.533 715 HB3 SER 98 2HB SER 98 -16.896 9.349 8.106 716 HG SER 98 HG SER 98 -16.810 11.316 8.807 717 H GLY 99 H GLY 99 -19.401 9.306 5.659 718 HA2 GLY 99 1HA GLY 99 -19.932 11.598 3.877 719 HA3 GLY 99 2HA GLY 99 -20.432 9.973 3.434 720 HA PRO 100 HA PRO 100 -23.766 12.257 5.892 721 HB2 PRO 100 1HB PRO 100 -25.575 12.487 3.881 722 HB3 PRO 100 2HB PRO 100 -24.352 13.718 4.218 723 HG2 PRO 100 1HG PRO 100 -24.342 11.555 2.148 724 HG3 PRO 100 2HG PRO 100 -23.857 13.254 1.994 725 HD2 PRO 100 1HD PRO 100 -22.063 11.249 2.303 726 HD3 PRO 100 2HD PRO 100 -21.791 12.882 2.946 727 H SER 101 H SER 101 -24.546 10.629 7.100 728 HA SER 101 HA SER 101 -26.229 8.625 5.768 729 HB2 SER 101 1HB SER 101 -24.081 8.075 7.824 730 HB3 SER 101 2HB SER 101 -25.341 6.915 7.403 731 HG SER 101 HG SER 101 -24.338 6.489 5.601 732 H SER 102 H SER 102 -28.210 8.806 6.550 733 HA SER 102 HA SER 102 -29.109 10.341 8.597 734 HB2 SER 102 1HB SER 102 -30.167 7.859 7.322 735 HB3 SER 102 2HB SER 102 -30.968 8.447 8.779 736 HG SER 102 HG SER 102 -30.403 10.250 6.708 737 H GLY 103 H GLY 103 -29.438 10.179 10.782 738 HA2 GLY 103 1HA GLY 103 -27.713 8.361 12.196 739 HA3 GLY 103 2HA GLY 103 -28.742 9.594 12.910 Start of MODEL 9 1 H1 GLY 1 H GLY 1 25.041 15.075 -2.322 2 HA2 GLY 1 1HA GLY 1 22.707 13.735 -1.101 3 HA3 GLY 1 2HA GLY 1 23.824 12.887 -2.160 4 H SER 2 H SER 2 23.789 11.495 -0.132 5 HA SER 2 HA SER 2 26.011 12.352 1.594 6 HB2 SER 2 1HB SER 2 23.362 11.185 2.410 7 HB3 SER 2 2HB SER 2 24.792 10.964 3.419 8 HG SER 2 HG SER 2 24.808 13.052 3.889 9 H SER 3 H SER 3 24.088 9.620 0.405 10 HA SER 3 HA SER 3 26.424 8.090 -0.180 11 HB2 SER 3 1HB SER 3 25.985 7.868 2.390 12 HB3 SER 3 2HB SER 3 24.681 6.791 1.890 13 HG SER 3 HG SER 3 26.153 5.438 0.964 14 H GLY 4 H GLY 4 25.980 6.785 -1.843 15 HA2 GLY 4 1HA GLY 4 24.747 5.241 -3.104 16 HA3 GLY 4 2HA GLY 4 23.337 5.592 -2.115 17 H SER 5 H SER 5 22.513 5.464 -4.470 18 HA SER 5 HA SER 5 22.591 8.177 -5.621 19 HB2 SER 5 1HB SER 5 22.508 5.479 -6.937 20 HB3 SER 5 2HB SER 5 21.848 6.888 -7.767 21 HG SER 5 HG SER 5 24.503 6.455 -6.887 22 H SER 6 H SER 6 20.633 8.967 -6.565 23 HA SER 6 HA SER 6 18.331 8.373 -5.003 24 HB2 SER 6 1HB SER 6 18.812 10.637 -5.878 25 HB3 SER 6 2HB SER 6 18.547 10.047 -7.519 26 HG SER 6 HG SER 6 16.642 10.108 -5.414 27 H GLY 7 H GLY 7 16.643 7.071 -5.402 28 HA2 GLY 7 1HA GLY 7 15.069 6.073 -6.942 29 HA3 GLY 7 2HA GLY 7 16.377 5.931 -8.108 30 HA PRO 8 HA PRO 8 16.815 2.473 -4.699 31 HB2 PRO 8 1HB PRO 8 14.445 1.748 -3.592 32 HB3 PRO 8 2HB PRO 8 15.501 2.975 -2.882 33 HG2 PRO 8 1HG PRO 8 13.061 3.328 -4.580 34 HG3 PRO 8 2HG PRO 8 13.546 4.211 -3.120 35 HD2 PRO 8 1HD PRO 8 13.902 5.208 -5.613 36 HD3 PRO 8 2HD PRO 8 15.014 5.563 -4.275 37 H PHE 9 H PHE 9 15.601 0.185 -4.533 38 HA PHE 9 HA PHE 9 15.474 -0.804 -7.167 39 HB2 PHE 9 1HB PHE 9 14.852 -1.960 -4.468 40 HB3 PHE 9 2HB PHE 9 14.472 -2.871 -5.927 41 HD1 PHE 9 2HD PHE 9 17.154 -1.504 -3.845 42 HD2 PHE 9 1HD PHE 9 16.211 -3.796 -7.306 43 HE1 PHE 9 2HE PHE 9 19.478 -2.305 -3.944 44 HE2 PHE 9 1HE PHE 9 18.534 -4.601 -7.410 45 HZ PHE 9 HZ PHE 9 20.171 -3.855 -5.728 46 H ILE 10 H ILE 10 13.181 0.850 -5.363 47 HA ILE 10 HA ILE 10 10.848 -0.442 -6.480 48 HB ILE 10 HB ILE 10 11.156 2.063 -4.827 49 HG12 ILE 10 1HG1 ILE 10 9.900 -0.592 -4.115 50 HG13 ILE 10 2HG1 ILE 10 11.572 -0.179 -3.750 51 HG21 ILE 10 1HG2 ILE 10 9.237 2.421 -6.172 52 HG22 ILE 10 2HG2 ILE 10 8.685 0.763 -5.944 53 HG23 ILE 10 3HG2 ILE 10 8.654 1.895 -4.593 54 HD11 ILE 10 1HD1 ILE 10 10.300 1.939 -2.675 55 HD12 ILE 10 2HD1 ILE 10 9.086 0.679 -2.454 56 HD13 ILE 10 3HD1 ILE 10 10.706 0.469 -1.791 57 H MET 11 H MET 11 10.611 -0.194 -8.625 58 HA MET 11 HA MET 11 11.472 1.956 -10.172 59 HB2 MET 11 1HB MET 11 9.081 0.217 -10.783 60 HB3 MET 11 2HB MET 11 10.098 1.071 -11.935 61 HG2 MET 11 1HG MET 11 10.872 -1.281 -10.229 62 HG3 MET 11 2HG MET 11 10.640 -1.259 -11.976 63 HE1 MET 11 1HE MET 11 12.740 -2.485 -10.483 64 HE2 MET 11 2HE MET 11 14.110 -2.183 -11.551 65 HE3 MET 11 3HE MET 11 14.115 -1.541 -9.908 66 H ASP 12 H ASP 12 8.828 1.734 -8.028 67 HA ASP 12 HA ASP 12 8.107 4.463 -8.468 68 HB2 ASP 12 1HB ASP 12 6.878 3.363 -10.328 69 HB3 ASP 12 2HB ASP 12 6.027 2.373 -9.146 70 H ALA 13 H ALA 13 8.102 5.040 -6.393 71 HA ALA 13 HA ALA 13 7.142 3.262 -4.328 72 HB1 ALA 13 1HB ALA 13 9.006 4.452 -3.632 73 HB2 ALA 13 2HB ALA 13 8.433 5.961 -4.342 74 HB3 ALA 13 3HB ALA 13 7.677 5.334 -2.878 75 HA PRO 14 HA PRO 14 3.005 4.740 -4.107 76 HB2 PRO 14 1HB PRO 14 2.473 4.226 -1.495 77 HB3 PRO 14 2HB PRO 14 2.594 2.956 -2.719 78 HG2 PRO 14 1HG PRO 14 4.635 3.867 -0.727 79 HG3 PRO 14 2HG PRO 14 4.200 2.217 -1.208 80 HD2 PRO 14 1HD PRO 14 6.391 3.484 -2.168 81 HD3 PRO 14 2HD PRO 14 5.473 2.306 -3.127 82 H ARG 15 H ARG 15 1.865 6.559 -3.569 83 HA ARG 15 HA ARG 15 3.184 8.472 -1.757 84 HB2 ARG 15 1HB ARG 15 3.460 9.178 -4.085 85 HB3 ARG 15 2HB ARG 15 1.722 9.082 -4.332 86 HG2 ARG 15 1HG ARG 15 1.409 10.860 -2.660 87 HG3 ARG 15 2HG ARG 15 3.161 10.979 -2.490 88 HD2 ARG 15 1HD ARG 15 3.319 11.522 -4.896 89 HD3 ARG 15 2HD ARG 15 1.559 11.489 -4.994 90 HE ARG 15 HE ARG 15 2.139 13.275 -2.993 91 HH11 ARG 15 2HH1 ARG 15 2.924 12.956 -6.370 92 HH12 ARG 15 1HH1 ARG 15 3.049 14.663 -6.636 93 HH21 ARG 15 2HH2 ARG 15 2.300 15.525 -3.331 94 HH22 ARG 15 1HH2 ARG 15 2.694 16.124 -4.907 95 H ASP 16 H ASP 16 1.761 10.003 -0.711 96 HA ASP 16 HA ASP 16 -0.413 8.876 0.555 97 HB2 ASP 16 1HB ASP 16 -1.073 11.278 1.080 98 HB3 ASP 16 2HB ASP 16 0.562 10.804 1.532 99 H LEU 17 H LEU 17 -2.654 9.052 0.340 100 HA LEU 17 HA LEU 17 -3.678 10.171 -2.165 101 HB2 LEU 17 1HB LEU 17 -3.376 7.888 -2.728 102 HB3 LEU 17 2HB LEU 17 -4.052 7.351 -1.192 103 HG LEU 17 HG LEU 17 -6.253 8.357 -1.997 104 HD11 LEU 17 1HD1 LEU 17 -6.525 8.575 -4.400 105 HD12 LEU 17 2HD1 LEU 17 -4.812 8.232 -4.643 106 HD13 LEU 17 3HD1 LEU 17 -5.306 9.706 -3.811 107 HD21 LEU 17 1HD2 LEU 17 -5.022 5.850 -2.443 108 HD22 LEU 17 2HD2 LEU 17 -5.952 6.248 -3.888 109 HD23 LEU 17 3HD2 LEU 17 -6.742 6.218 -2.311 110 H ASN 18 H ASN 18 -5.528 11.260 -1.910 111 HA ASN 18 HA ASN 18 -6.835 11.129 0.712 112 HB2 ASN 18 1HB ASN 18 -7.930 13.293 -0.111 113 HB3 ASN 18 2HB ASN 18 -6.203 13.353 0.230 114 HD21 ASN 18 1HD2 ASN 18 -4.957 14.212 -1.265 115 HD22 ASN 18 2HD2 ASN 18 -5.365 14.421 -2.931 116 H ILE 19 H ILE 19 -8.466 9.723 0.759 117 HA ILE 19 HA ILE 19 -10.472 9.869 -1.386 118 HB ILE 19 HB ILE 19 -9.095 7.841 -1.714 119 HG12 ILE 19 1HG1 ILE 19 -11.861 7.104 -0.751 120 HG13 ILE 19 2HG1 ILE 19 -11.571 7.975 -2.253 121 HG21 ILE 19 1HG2 ILE 19 -8.519 7.491 0.659 122 HG22 ILE 19 2HG2 ILE 19 -10.177 6.976 0.963 123 HG23 ILE 19 3HG2 ILE 19 -9.144 6.033 -0.111 124 HD11 ILE 19 1HD1 ILE 19 -9.888 5.738 -2.317 125 HD12 ILE 19 2HD1 ILE 19 -11.452 5.169 -1.735 126 HD13 ILE 19 3HD1 ILE 19 -11.342 6.030 -3.270 127 H SER 20 H SER 20 -12.586 8.921 -0.719 128 HA SER 20 HA SER 20 -13.189 9.769 2.006 129 HB2 SER 20 1HB SER 20 -14.961 9.111 -0.356 130 HB3 SER 20 2HB SER 20 -15.578 9.543 1.239 131 HG SER 20 HG SER 20 -15.012 11.566 0.927 132 H GLU 21 H GLU 21 -14.715 8.478 3.304 133 HA GLU 21 HA GLU 21 -13.797 5.797 3.554 134 HB2 GLU 21 1HB GLU 21 -14.383 6.627 5.609 135 HB3 GLU 21 2HB GLU 21 -15.748 7.534 4.975 136 HG2 GLU 21 1HG GLU 21 -17.024 5.465 4.750 137 HG3 GLU 21 2HG GLU 21 -15.656 4.554 5.385 138 H GLY 22 H GLY 22 -14.629 3.933 2.815 139 HA2 GLY 22 1HA GLY 22 -16.288 2.463 2.048 140 HA3 GLY 22 2HA GLY 22 -17.384 3.825 1.873 141 H ARG 23 H ARG 23 -14.287 4.326 0.546 142 HA ARG 23 HA ARG 23 -15.364 3.823 -2.150 143 HB2 ARG 23 1HB ARG 23 -13.390 5.893 -1.184 144 HB3 ARG 23 2HB ARG 23 -13.698 5.566 -2.884 145 HG2 ARG 23 1HG ARG 23 -16.197 5.993 -2.151 146 HG3 ARG 23 2HG ARG 23 -15.408 6.912 -0.868 147 HD2 ARG 23 1HD ARG 23 -14.484 8.430 -2.342 148 HD3 ARG 23 2HD ARG 23 -14.562 7.311 -3.703 149 HE ARG 23 HE ARG 23 -16.520 9.205 -2.987 150 HH11 ARG 23 2HH1 ARG 23 -16.210 5.918 -4.090 151 HH12 ARG 23 1HH1 ARG 23 -17.746 5.904 -4.890 152 HH21 ARG 23 2HH2 ARG 23 -18.545 9.199 -4.037 153 HH22 ARG 23 1HH2 ARG 23 -19.073 7.771 -4.860 154 H MET 24 H MET 24 -13.580 3.477 -3.815 155 HA MET 24 HA MET 24 -11.876 1.338 -2.834 156 HB2 MET 24 1HB MET 24 -13.341 1.402 -5.023 157 HB3 MET 24 2HB MET 24 -11.927 2.201 -5.696 158 HG2 MET 24 1HG MET 24 -10.546 0.288 -5.070 159 HG3 MET 24 2HG MET 24 -11.963 -0.512 -4.394 160 HE1 MET 24 1HE MET 24 -12.443 -2.860 -6.732 161 HE2 MET 24 2HE MET 24 -10.765 -2.523 -7.155 162 HE3 MET 24 3HE MET 24 -11.295 -2.391 -5.477 163 H ALA 25 H ALA 25 -9.781 1.558 -2.412 164 HA ALA 25 HA ALA 25 -8.349 3.861 -3.568 165 HB1 ALA 25 1HB ALA 25 -8.915 4.001 -1.082 166 HB2 ALA 25 2HB ALA 25 -7.712 2.730 -0.862 167 HB3 ALA 25 3HB ALA 25 -7.239 4.283 -1.550 168 H GLU 26 H GLU 26 -6.119 3.569 -4.003 169 HA GLU 26 HA GLU 26 -5.020 0.884 -3.772 170 HB2 GLU 26 1HB GLU 26 -5.301 2.277 -6.440 171 HB3 GLU 26 2HB GLU 26 -4.440 0.771 -6.159 172 HG2 GLU 26 1HG GLU 26 -6.535 -0.291 -5.466 173 HG3 GLU 26 2HG GLU 26 -7.392 1.217 -5.782 174 H LEU 27 H LEU 27 -2.848 0.872 -3.524 175 HA LEU 27 HA LEU 27 -1.482 3.472 -3.709 176 HB2 LEU 27 1HB LEU 27 -1.137 1.117 -1.895 177 HB3 LEU 27 2HB LEU 27 0.187 2.251 -2.150 178 HG LEU 27 HG LEU 27 -2.490 3.254 -1.268 179 HD11 LEU 27 1HD1 LEU 27 -1.524 3.072 1.087 180 HD12 LEU 27 2HD1 LEU 27 -0.431 1.863 0.414 181 HD13 LEU 27 3HD1 LEU 27 -2.175 1.603 0.359 182 HD21 LEU 27 1HD2 LEU 27 -1.223 5.095 -1.600 183 HD22 LEU 27 2HD2 LEU 27 0.296 4.221 -1.405 184 HD23 LEU 27 3HD2 LEU 27 -0.632 4.704 0.015 185 H LYS 28 H LYS 28 -0.347 3.616 -5.529 186 HA LYS 28 HA LYS 28 0.517 1.489 -7.117 187 HB2 LYS 28 1HB LYS 28 1.926 3.145 -8.266 188 HB3 LYS 28 2HB LYS 28 0.302 3.758 -7.981 189 HG2 LYS 28 1HG LYS 28 2.422 4.368 -5.987 190 HG3 LYS 28 2HG LYS 28 2.421 5.236 -7.524 191 HD2 LYS 28 1HD LYS 28 -0.149 5.519 -6.929 192 HD3 LYS 28 2HD LYS 28 0.465 5.315 -5.287 193 HE2 LYS 28 1HE LYS 28 0.472 7.639 -5.700 194 HE3 LYS 28 2HE LYS 28 2.151 7.119 -5.836 195 HZ1 LYS 28 1HZ LYS 28 0.442 8.286 -7.814 196 HZ2 LYS 28 2HZ LYS 28 1.181 6.869 -8.366 197 HZ3 LYS 28 3HZ LYS 28 2.128 8.148 -7.793 198 H CYS 29 H CYS 29 2.322 0.263 -7.187 199 HA CYS 29 HA CYS 29 4.741 0.958 -5.840 200 HB2 CYS 29 1HB CYS 29 3.778 0.275 -3.823 201 HB3 CYS 29 2HB CYS 29 2.862 -1.018 -4.586 202 HG CYS 29 HG CYS 29 4.660 -2.338 -3.035 203 H ARG 30 H ARG 30 6.341 0.103 -6.986 204 HA ARG 30 HA ARG 30 5.824 -2.390 -8.471 205 HB2 ARG 30 1HB ARG 30 7.478 -0.011 -9.335 206 HB3 ARG 30 2HB ARG 30 7.369 -1.531 -10.212 207 HG2 ARG 30 1HG ARG 30 4.782 -0.995 -10.098 208 HG3 ARG 30 2HG ARG 30 5.386 0.656 -9.948 209 HD2 ARG 30 1HD ARG 30 6.238 -1.246 -12.122 210 HD3 ARG 30 2HD ARG 30 4.909 -0.101 -12.294 211 HE ARG 30 HE ARG 30 7.734 0.491 -12.312 212 HH11 ARG 30 2HH1 ARG 30 4.514 1.746 -11.895 213 HH12 ARG 30 1HH1 ARG 30 4.960 3.377 -12.270 214 HH21 ARG 30 2HH2 ARG 30 8.335 2.635 -12.808 215 HH22 ARG 30 1HH2 ARG 30 7.134 3.882 -12.791 216 H THR 31 H THR 31 7.148 -4.020 -8.022 217 HA THR 31 HA THR 31 9.761 -3.413 -6.800 218 HB THR 31 HB THR 31 9.567 -5.448 -5.449 219 HG1 THR 31 1HG THR 31 8.038 -6.851 -5.852 220 HG21 THR 31 1HG2 THR 31 8.773 -3.276 -4.549 221 HG22 THR 31 2HG2 THR 31 7.926 -4.660 -3.857 222 HG23 THR 31 3HG2 THR 31 7.146 -3.678 -5.097 223 HA PRO 32 HA PRO 32 11.604 -5.887 -9.929 224 HB2 PRO 32 1HB PRO 32 13.780 -6.825 -8.604 225 HB3 PRO 32 2HB PRO 32 13.630 -5.146 -9.138 226 HG2 PRO 32 1HG PRO 32 13.149 -6.320 -6.427 227 HG3 PRO 32 2HG PRO 32 13.982 -4.817 -6.863 228 HD2 PRO 32 1HD PRO 32 11.428 -4.859 -5.965 229 HD3 PRO 32 2HD PRO 32 12.010 -3.655 -7.132 230 HA PRO 33 HA PRO 33 10.581 -10.146 -9.540 231 HB2 PRO 33 1HB PRO 33 12.608 -11.392 -10.847 232 HB3 PRO 33 2HB PRO 33 11.365 -10.451 -11.679 233 HG2 PRO 33 1HG PRO 33 14.147 -9.656 -10.913 234 HG3 PRO 33 2HG PRO 33 13.273 -9.351 -12.425 235 HD2 PRO 33 1HD PRO 33 13.539 -7.473 -10.493 236 HD3 PRO 33 2HD PRO 33 12.109 -7.569 -11.540 237 H MET 34 H MET 34 11.073 -12.131 -8.497 238 HA MET 34 HA MET 34 11.856 -13.380 -6.764 239 HB2 MET 34 1HB MET 34 14.575 -12.220 -7.331 240 HB3 MET 34 2HB MET 34 14.177 -13.821 -6.722 241 HG2 MET 34 1HG MET 34 13.045 -14.213 -8.968 242 HG3 MET 34 2HG MET 34 13.882 -12.759 -9.507 243 HE1 MET 34 1HE MET 34 13.635 -16.167 -9.109 244 HE2 MET 34 2HE MET 34 15.025 -16.736 -10.035 245 HE3 MET 34 3HE MET 34 15.071 -16.754 -8.271 246 H SER 35 H SER 35 10.704 -11.099 -5.892 247 HA SER 35 HA SER 35 12.387 -10.381 -3.590 248 HB2 SER 35 1HB SER 35 10.595 -8.439 -5.066 249 HB3 SER 35 2HB SER 35 11.641 -8.076 -3.694 250 HG SER 35 HG SER 35 12.884 -9.240 -5.873 251 H SER 36 H SER 36 11.038 -9.371 -1.809 252 HA SER 36 HA SER 36 8.513 -10.868 -1.590 253 HB2 SER 36 1HB SER 36 10.174 -11.530 0.068 254 HB3 SER 36 2HB SER 36 10.365 -9.854 0.581 255 HG SER 36 HG SER 36 8.104 -11.530 0.882 256 H VAL 37 H VAL 37 6.701 -9.732 -1.662 257 HA VAL 37 HA VAL 37 6.810 -6.840 -1.206 258 HB VAL 37 HB VAL 37 4.714 -8.569 -2.521 259 HG11 VAL 37 1HG1 VAL 37 3.766 -6.246 -3.138 260 HG12 VAL 37 2HG1 VAL 37 3.425 -6.904 -1.537 261 HG13 VAL 37 3HG1 VAL 37 4.677 -5.678 -1.740 262 HG21 VAL 37 1HG2 VAL 37 5.734 -6.413 -4.110 263 HG22 VAL 37 2HG2 VAL 37 7.071 -7.382 -3.491 264 HG23 VAL 37 3HG2 VAL 37 5.784 -8.148 -4.423 265 H LYS 38 H LYS 38 6.096 -6.004 0.632 266 HA LYS 38 HA LYS 38 3.945 -7.361 2.091 267 HB2 LYS 38 1HB LYS 38 6.627 -6.555 3.199 268 HB3 LYS 38 2HB LYS 38 5.219 -6.757 4.233 269 HG2 LYS 38 1HG LYS 38 5.042 -9.093 3.157 270 HG3 LYS 38 2HG LYS 38 6.713 -8.816 2.661 271 HD2 LYS 38 1HD LYS 38 7.503 -8.866 4.814 272 HD3 LYS 38 2HD LYS 38 5.972 -8.321 5.503 273 HE2 LYS 38 1HE LYS 38 5.065 -10.430 5.501 274 HE3 LYS 38 2HE LYS 38 6.073 -10.979 4.163 275 HZ1 LYS 38 1HZ LYS 38 7.977 -10.710 5.851 276 HZ2 LYS 38 2HZ LYS 38 6.972 -12.065 5.971 277 HZ3 LYS 38 3HZ LYS 38 6.755 -10.756 7.020 278 H TRP 39 H TRP 39 2.809 -5.983 3.593 279 HA TRP 39 HA TRP 39 3.236 -3.107 3.173 280 HB2 TRP 39 1HB TRP 39 0.683 -4.656 2.794 281 HB3 TRP 39 2HB TRP 39 0.664 -2.934 3.164 282 HD1 TRP 39 HD TRP 39 1.553 -5.389 0.374 283 HE1 TRP 39 1HE TRP 39 1.842 -4.075 -1.820 284 HE3 TRP 39 3HE TRP 39 1.302 -0.634 2.236 285 HZ2 TRP 39 2HZ TRP 39 1.951 -1.380 -2.652 286 HZ3 TRP 39 3HZ TRP 39 1.508 1.256 0.674 287 HH2 TRP 39 HH TRP 39 1.826 0.889 -1.718 288 H LEU 40 H LEU 40 3.755 -2.371 5.130 289 HA LEU 40 HA LEU 40 2.639 -3.569 7.522 290 HB2 LEU 40 1HB LEU 40 5.059 -2.720 7.139 291 HB3 LEU 40 2HB LEU 40 4.376 -1.133 7.486 292 HG LEU 40 HG LEU 40 4.308 -3.497 9.360 293 HD11 LEU 40 1HD1 LEU 40 5.896 -1.970 10.665 294 HD12 LEU 40 2HD1 LEU 40 6.155 -1.147 9.128 295 HD13 LEU 40 3HD1 LEU 40 6.551 -2.858 9.289 296 HD21 LEU 40 1HD2 LEU 40 2.948 -0.937 9.317 297 HD22 LEU 40 2HD2 LEU 40 3.921 -1.147 10.772 298 HD23 LEU 40 3HD2 LEU 40 2.688 -2.338 10.356 299 H LEU 41 H LEU 41 0.966 -2.807 8.645 300 HA LEU 41 HA LEU 41 -0.362 -0.397 7.720 301 HB2 LEU 41 1HB LEU 41 -1.181 -2.348 9.867 302 HB3 LEU 41 2HB LEU 41 -2.186 -1.078 9.172 303 HG LEU 41 HG LEU 41 -2.825 -3.243 8.295 304 HD11 LEU 41 1HD1 LEU 41 -1.363 -1.659 6.190 305 HD12 LEU 41 2HD1 LEU 41 -2.949 -1.246 6.841 306 HD13 LEU 41 3HD1 LEU 41 -2.728 -2.747 5.943 307 HD21 LEU 41 1HD2 LEU 41 -0.120 -3.497 7.022 308 HD22 LEU 41 2HD2 LEU 41 -1.383 -4.716 7.192 309 HD23 LEU 41 3HD2 LEU 41 -0.467 -4.191 8.606 310 HA PRO 42 HA PRO 42 1.024 2.286 10.908 311 HB2 PRO 42 1HB PRO 42 -1.152 3.880 11.215 312 HB3 PRO 42 2HB PRO 42 -0.089 3.966 9.805 313 HG2 PRO 42 1HG PRO 42 -2.731 2.591 10.105 314 HG3 PRO 42 2HG PRO 42 -2.125 3.568 8.755 315 HD2 PRO 42 1HD PRO 42 -2.126 0.860 8.708 316 HD3 PRO 42 2HD PRO 42 -0.885 1.829 7.888 317 H ASN 43 H ASN 43 -1.179 -0.095 11.446 318 HA ASN 43 HA ASN 43 -1.804 0.740 14.187 319 HB2 ASN 43 1HB ASN 43 -3.142 -1.564 13.970 320 HB3 ASN 43 2HB ASN 43 -3.799 -0.039 13.383 321 HD21 ASN 43 1HD2 ASN 43 -2.437 -3.100 12.517 322 HD22 ASN 43 2HD2 ASN 43 -2.803 -3.020 10.830 323 H GLY 44 H GLY 44 0.601 -0.827 12.630 324 HA2 GLY 44 1HA GLY 44 2.407 -1.755 13.935 325 HA3 GLY 44 2HA GLY 44 1.207 -2.445 15.018 326 H THR 45 H THR 45 -0.480 -3.385 12.810 327 HA THR 45 HA THR 45 0.797 -5.923 12.423 328 HB THR 45 HB THR 45 -1.737 -5.025 11.061 329 HG1 THR 45 1HG THR 45 -2.650 -4.935 12.960 330 HG21 THR 45 1HG2 THR 45 -0.467 -7.640 11.758 331 HG22 THR 45 2HG2 THR 45 -1.214 -7.124 10.247 332 HG23 THR 45 3HG2 THR 45 -2.222 -7.529 11.636 333 H VAL 46 H VAL 46 0.696 -6.950 10.173 334 HA VAL 46 HA VAL 46 1.192 -5.120 7.976 335 HB VAL 46 HB VAL 46 3.404 -5.229 8.950 336 HG11 VAL 46 1HG1 VAL 46 3.608 -8.166 8.504 337 HG12 VAL 46 2HG1 VAL 46 4.486 -7.130 9.631 338 HG13 VAL 46 3HG1 VAL 46 2.816 -7.584 9.969 339 HG21 VAL 46 1HG2 VAL 46 4.104 -5.166 6.843 340 HG22 VAL 46 2HG2 VAL 46 4.251 -6.924 6.879 341 HG23 VAL 46 3HG2 VAL 46 2.756 -6.175 6.319 342 H LEU 47 H LEU 47 0.444 -5.951 6.130 343 HA LEU 47 HA LEU 47 -0.240 -8.806 6.085 344 HB2 LEU 47 1HB LEU 47 -1.271 -6.517 4.416 345 HB3 LEU 47 2HB LEU 47 -1.776 -8.197 4.251 346 HG LEU 47 HG LEU 47 -2.181 -6.550 6.745 347 HD11 LEU 47 1HD1 LEU 47 -3.915 -6.973 4.339 348 HD12 LEU 47 2HD1 LEU 47 -3.541 -5.477 5.195 349 HD13 LEU 47 3HD1 LEU 47 -4.617 -6.667 5.928 350 HD21 LEU 47 1HD2 LEU 47 -3.927 -8.820 6.230 351 HD22 LEU 47 2HD2 LEU 47 -3.029 -8.387 7.686 352 HD23 LEU 47 3HD2 LEU 47 -2.232 -9.280 6.390 353 H SER 48 H SER 48 -0.226 -9.762 3.798 354 HA SER 48 HA SER 48 1.800 -8.729 2.019 355 HB2 SER 48 1HB SER 48 3.180 -10.816 2.128 356 HB3 SER 48 2HB SER 48 3.247 -9.846 3.600 357 HG SER 48 HG SER 48 1.389 -11.949 3.326 358 H HIS 49 H HIS 49 2.271 -10.667 0.332 359 HA HIS 49 HA HIS 49 0.012 -10.972 -1.201 360 HB2 HIS 49 1HB HIS 49 2.591 -12.493 -1.065 361 HB3 HIS 49 2HB HIS 49 1.310 -13.047 -2.139 362 HD1 HIS 49 1HD HIS 49 0.303 -10.544 -3.405 363 HD2 HIS 49 2HD HIS 49 4.338 -11.169 -2.638 364 HE1 HIS 49 1HE HIS 49 1.531 -9.022 -4.986 365 HE2 HIS 49 2HE HIS 49 3.971 -9.480 -4.562 366 H ALA 50 H ALA 50 1.269 -13.154 1.276 367 HA ALA 50 HA ALA 50 -0.486 -15.297 0.850 368 HB1 ALA 50 1HB ALA 50 0.019 -15.884 3.229 369 HB2 ALA 50 2HB ALA 50 1.440 -15.617 2.219 370 HB3 ALA 50 3HB ALA 50 0.916 -14.369 3.349 371 H SER 51 H SER 51 -0.713 -12.669 3.254 372 HA SER 51 HA SER 51 -2.983 -13.160 4.557 373 HB2 SER 51 1HB SER 51 -1.545 -10.981 4.454 374 HB3 SER 51 2HB SER 51 -2.758 -10.446 3.290 375 HG SER 51 HG SER 51 -4.220 -11.309 5.153 376 H ARG 52 H ARG 52 -5.153 -13.252 4.241 377 HA ARG 52 HA ARG 52 -6.063 -13.154 1.451 378 HB2 ARG 52 1HB ARG 52 -8.036 -14.460 2.364 379 HB3 ARG 52 2HB ARG 52 -6.485 -15.289 2.386 380 HG2 ARG 52 1HG ARG 52 -6.236 -14.860 4.744 381 HG3 ARG 52 2HG ARG 52 -7.712 -13.892 4.753 382 HD2 ARG 52 1HD ARG 52 -7.520 -16.836 4.127 383 HD3 ARG 52 2HD ARG 52 -8.119 -16.133 5.629 384 HE ARG 52 HE ARG 52 -10.097 -15.599 4.569 385 HH11 ARG 52 2HH1 ARG 52 -7.750 -16.700 2.247 386 HH12 ARG 52 1HH1 ARG 52 -8.899 -16.847 0.959 387 HH21 ARG 52 2HH2 ARG 52 -11.621 -15.788 2.882 388 HH22 ARG 52 1HH2 ARG 52 -11.101 -16.327 1.321 389 H HIS 53 H HIS 53 -5.861 -11.040 3.795 390 HA HIS 53 HA HIS 53 -8.158 -10.024 4.680 391 HB2 HIS 53 1HB HIS 53 -5.753 -8.964 4.529 392 HB3 HIS 53 2HB HIS 53 -6.438 -8.112 3.148 393 HD1 HIS 53 1HD HIS 53 -8.769 -6.775 3.770 394 HD2 HIS 53 2HD HIS 53 -6.198 -7.725 6.892 395 HE1 HIS 53 1HE HIS 53 -9.425 -5.259 5.666 396 HE2 HIS 53 2HE HIS 53 -7.801 -5.793 7.515 397 HA PRO 54 HA PRO 54 -10.894 -9.635 1.224 398 HB2 PRO 54 1HB PRO 54 -12.834 -8.216 2.486 399 HB3 PRO 54 2HB PRO 54 -12.591 -9.948 2.742 400 HG2 PRO 54 1HG PRO 54 -11.690 -7.640 4.422 401 HG3 PRO 54 2HG PRO 54 -12.399 -9.184 4.930 402 HD2 PRO 54 1HD PRO 54 -9.738 -8.696 5.042 403 HD3 PRO 54 2HD PRO 54 -10.400 -10.313 4.727 404 H ARG 55 H ARG 55 -10.514 -6.722 3.257 405 HA ARG 55 HA ARG 55 -11.043 -4.941 1.088 406 HB2 ARG 55 1HB ARG 55 -10.031 -4.565 3.897 407 HB3 ARG 55 2HB ARG 55 -10.120 -3.221 2.767 408 HG2 ARG 55 1HG ARG 55 -12.504 -3.509 2.545 409 HG3 ARG 55 2HG ARG 55 -12.453 -4.946 3.569 410 HD2 ARG 55 1HD ARG 55 -12.228 -2.075 4.296 411 HD3 ARG 55 2HD ARG 55 -13.080 -3.384 5.114 412 HE ARG 55 HE ARG 55 -11.149 -3.897 6.270 413 HH11 ARG 55 2HH1 ARG 55 -10.482 -1.547 3.790 414 HH12 ARG 55 1HH1 ARG 55 -8.897 -1.177 4.384 415 HH21 ARG 55 2HH2 ARG 55 -9.063 -3.419 7.062 416 HH22 ARG 55 1HH2 ARG 55 -8.091 -2.243 6.244 417 H ILE 56 H ILE 56 -8.098 -5.255 3.078 418 HA ILE 56 HA ILE 56 -6.459 -3.974 1.141 419 HB ILE 56 HB ILE 56 -5.566 -5.721 3.435 420 HG12 ILE 56 1HG1 ILE 56 -5.909 -2.719 3.425 421 HG13 ILE 56 2HG1 ILE 56 -7.117 -3.828 4.064 422 HG21 ILE 56 1HG2 ILE 56 -3.950 -3.423 2.573 423 HG22 ILE 56 2HG2 ILE 56 -3.456 -5.049 3.041 424 HG23 ILE 56 3HG2 ILE 56 -4.057 -4.746 1.411 425 HD11 ILE 56 1HD1 ILE 56 -4.283 -3.628 5.052 426 HD12 ILE 56 2HD1 ILE 56 -5.676 -2.847 5.800 427 HD13 ILE 56 3HD1 ILE 56 -5.579 -4.606 5.739 428 H SER 57 H SER 57 -6.389 -4.967 -0.815 429 HA SER 57 HA SER 57 -5.572 -7.794 -0.879 430 HB2 SER 57 1HB SER 57 -7.078 -6.090 -2.860 431 HB3 SER 57 2HB SER 57 -6.356 -7.633 -3.315 432 HG SER 57 HG SER 57 -8.006 -8.570 -2.440 433 H VAL 58 H VAL 58 -3.487 -8.107 -1.243 434 HA VAL 58 HA VAL 58 -1.864 -6.039 -2.465 435 HB VAL 58 HB VAL 58 -1.080 -8.752 -1.390 436 HG11 VAL 58 1HG1 VAL 58 1.222 -7.677 -1.376 437 HG12 VAL 58 2HG1 VAL 58 0.577 -8.145 -2.951 438 HG13 VAL 58 3HG1 VAL 58 0.543 -6.454 -2.449 439 HG21 VAL 58 1HG2 VAL 58 -1.171 -7.840 0.631 440 HG22 VAL 58 2HG2 VAL 58 -0.037 -6.587 0.125 441 HG23 VAL 58 3HG2 VAL 58 -1.773 -6.337 -0.068 442 H LEU 59 H LEU 59 -2.518 -6.017 -4.620 443 HA LEU 59 HA LEU 59 -2.858 -8.214 -6.290 444 HB2 LEU 59 1HB LEU 59 -1.689 -5.614 -7.228 445 HB3 LEU 59 2HB LEU 59 -2.747 -6.720 -8.102 446 HG LEU 59 HG LEU 59 -3.507 -4.869 -5.847 447 HD11 LEU 59 1HD1 LEU 59 -4.684 -4.942 -8.597 448 HD12 LEU 59 2HD1 LEU 59 -3.192 -4.058 -8.278 449 HD13 LEU 59 3HD1 LEU 59 -4.671 -3.628 -7.420 450 HD21 LEU 59 1HD2 LEU 59 -5.642 -5.785 -5.807 451 HD22 LEU 59 2HD2 LEU 59 -4.599 -7.205 -5.892 452 HD23 LEU 59 3HD2 LEU 59 -5.419 -6.625 -7.342 453 H ASN 60 H ASN 60 -1.525 -9.337 -7.689 454 HA ASN 60 HA ASN 60 0.892 -10.219 -6.955 455 HB2 ASN 60 1HB ASN 60 1.393 -10.419 -9.511 456 HB3 ASN 60 2HB ASN 60 0.029 -11.298 -8.825 457 HD21 ASN 60 1HD2 ASN 60 -2.090 -10.377 -9.072 458 HD22 ASN 60 2HD2 ASN 60 -2.436 -9.379 -10.439 459 H ASP 61 H ASP 61 0.713 -7.739 -9.511 460 HA ASP 61 HA ASP 61 3.249 -6.960 -9.764 461 HB2 ASP 61 1HB ASP 61 1.139 -4.851 -9.335 462 HB3 ASP 61 2HB ASP 61 2.523 -4.804 -10.422 463 H GLY 62 H GLY 62 1.175 -6.028 -7.047 464 HA2 GLY 62 1HA GLY 62 2.416 -6.027 -4.865 465 HA3 GLY 62 2HA GLY 62 3.587 -5.001 -5.682 466 H THR 63 H THR 63 0.193 -4.632 -6.317 467 HA THR 63 HA THR 63 0.298 -1.971 -5.109 468 HB THR 63 HB THR 63 -1.760 -3.188 -6.961 469 HG1 THR 63 1HG THR 63 0.169 -1.154 -7.471 470 HG21 THR 63 1HG2 THR 63 -1.476 -0.309 -6.106 471 HG22 THR 63 2HG2 THR 63 -2.637 -1.434 -5.401 472 HG23 THR 63 3HG2 THR 63 -2.746 -1.009 -7.109 473 H LEU 64 H LEU 64 -1.040 -1.301 -3.488 474 HA LEU 64 HA LEU 64 -2.507 -3.411 -2.082 475 HB2 LEU 64 1HB LEU 64 -0.705 -1.771 -1.076 476 HB3 LEU 64 2HB LEU 64 -2.093 -0.693 -0.939 477 HG LEU 64 HG LEU 64 -3.234 -2.351 0.464 478 HD11 LEU 64 1HD1 LEU 64 -0.766 -3.942 -0.111 479 HD12 LEU 64 2HD1 LEU 64 -2.458 -4.435 -0.185 480 HD13 LEU 64 3HD1 LEU 64 -1.678 -4.196 1.378 481 HD21 LEU 64 1HD2 LEU 64 -0.690 -2.198 1.890 482 HD22 LEU 64 2HD2 LEU 64 -2.264 -1.516 2.299 483 HD23 LEU 64 3HD2 LEU 64 -1.198 -0.666 1.180 484 H ASN 65 H ASN 65 -4.546 -3.549 -2.805 485 HA ASN 65 HA ASN 65 -6.038 -1.098 -3.378 486 HB2 ASN 65 1HB ASN 65 -6.158 -2.788 -5.103 487 HB3 ASN 65 2HB ASN 65 -6.661 -4.005 -3.934 488 HD21 ASN 65 1HD2 ASN 65 -7.686 -1.781 -6.193 489 HD22 ASN 65 2HD2 ASN 65 -9.361 -1.728 -5.773 490 H PHE 66 H PHE 66 -8.048 -0.651 -2.424 491 HA PHE 66 HA PHE 66 -8.658 -2.183 0.014 492 HB2 PHE 66 1HB PHE 66 -8.612 0.822 -0.313 493 HB3 PHE 66 2HB PHE 66 -9.311 -0.004 1.076 494 HD1 PHE 66 1HD PHE 66 -6.128 -0.078 -0.876 495 HD2 PHE 66 2HD PHE 66 -8.000 -0.108 2.946 496 HE1 PHE 66 1HE PHE 66 -3.917 -0.121 0.203 497 HE2 PHE 66 2HE PHE 66 -5.792 -0.149 4.031 498 HZ PHE 66 HZ PHE 66 -3.747 -0.155 2.660 499 H SER 67 H SER 67 -10.353 -3.286 -0.946 500 HA SER 67 HA SER 67 -12.274 -2.590 -2.658 501 HB2 SER 67 1HB SER 67 -12.160 -4.748 -1.375 502 HB3 SER 67 2HB SER 67 -12.953 -3.927 -0.030 503 HG SER 67 HG SER 67 -14.775 -4.211 -1.016 504 H HIS 68 H HIS 68 -12.099 -1.479 0.678 505 HA HIS 68 HA HIS 68 -13.589 0.871 0.106 506 HB2 HIS 68 1HB HIS 68 -15.558 0.472 1.446 507 HB3 HIS 68 2HB HIS 68 -15.441 -0.794 0.228 508 HD1 HIS 68 1HD HIS 68 -14.182 -3.073 1.230 509 HD2 HIS 68 2HD HIS 68 -16.032 -0.501 3.918 510 HE1 HIS 68 1HE HIS 68 -14.555 -4.432 3.313 511 HE2 HIS 68 2HE HIS 68 -15.752 -2.880 4.894 512 H VAL 69 H VAL 69 -12.333 2.230 1.203 513 HA VAL 69 HA VAL 69 -10.911 1.519 3.562 514 HB VAL 69 HB VAL 69 -10.337 3.933 3.690 515 HG11 VAL 69 1HG1 VAL 69 -9.421 3.943 1.185 516 HG12 VAL 69 2HG1 VAL 69 -8.745 2.903 2.439 517 HG13 VAL 69 3HG1 VAL 69 -9.912 2.253 1.288 518 HG21 VAL 69 1HG2 VAL 69 -11.681 4.411 1.082 519 HG22 VAL 69 2HG2 VAL 69 -12.659 4.477 2.548 520 HG23 VAL 69 3HG2 VAL 69 -11.269 5.547 2.366 521 H LEU 70 H LEU 70 -11.058 3.138 5.503 522 HA LEU 70 HA LEU 70 -13.792 3.865 6.170 523 HB2 LEU 70 1HB LEU 70 -12.264 2.076 8.035 524 HB3 LEU 70 2HB LEU 70 -13.962 2.541 8.112 525 HG LEU 70 HG LEU 70 -12.954 0.899 5.821 526 HD11 LEU 70 1HD1 LEU 70 -12.255 -0.624 7.326 527 HD12 LEU 70 2HD1 LEU 70 -13.977 -0.983 7.446 528 HD13 LEU 70 3HD1 LEU 70 -13.211 0.069 8.637 529 HD21 LEU 70 1HD2 LEU 70 -15.103 0.929 5.276 530 HD22 LEU 70 2HD2 LEU 70 -15.454 1.926 6.689 531 HD23 LEU 70 3HD2 LEU 70 -15.510 0.167 6.814 532 H LEU 71 H LEU 71 -13.931 5.119 8.167 533 HA LEU 71 HA LEU 71 -11.930 7.082 8.331 534 HB2 LEU 71 1HB LEU 71 -14.171 6.380 10.215 535 HB3 LEU 71 2HB LEU 71 -13.149 7.804 10.397 536 HG LEU 71 HG LEU 71 -15.068 7.226 8.144 537 HD11 LEU 71 1HD1 LEU 71 -15.054 9.370 10.262 538 HD12 LEU 71 2HD1 LEU 71 -16.111 7.959 10.233 539 HD13 LEU 71 3HD1 LEU 71 -16.243 9.185 8.972 540 HD21 LEU 71 1HD2 LEU 71 -12.737 8.947 8.267 541 HD22 LEU 71 2HD2 LEU 71 -14.217 9.851 7.943 542 HD23 LEU 71 3HD2 LEU 71 -13.751 8.513 6.891 543 H SER 72 H SER 72 -12.005 3.972 9.599 544 HA SER 72 HA SER 72 -10.223 4.627 11.830 545 HB2 SER 72 1HB SER 72 -11.522 1.997 11.075 546 HB3 SER 72 2HB SER 72 -10.540 2.278 12.513 547 HG SER 72 HG SER 72 -12.228 4.091 12.791 548 H ASP 73 H ASP 73 -9.972 3.966 8.624 549 HA ASP 73 HA ASP 73 -7.556 2.332 8.850 550 HB2 ASP 73 1HB ASP 73 -9.439 3.012 6.639 551 HB3 ASP 73 2HB ASP 73 -7.771 2.632 6.217 552 H THR 74 H THR 74 -8.434 5.556 8.760 553 HA THR 74 HA THR 74 -6.528 6.747 7.110 554 HB THR 74 HB THR 74 -7.686 7.804 9.696 555 HG1 THR 74 1HG THR 74 -9.392 8.208 8.517 556 HG21 THR 74 1HG2 THR 74 -6.868 9.701 7.616 557 HG22 THR 74 2HG2 THR 74 -5.531 8.829 8.365 558 HG23 THR 74 3HG2 THR 74 -6.641 9.767 9.363 559 H GLY 75 H GLY 75 -4.389 7.033 7.246 560 HA2 GLY 75 1HA GLY 75 -2.846 7.537 9.456 561 HA3 GLY 75 2HA GLY 75 -2.919 5.784 9.365 562 H VAL 76 H VAL 76 -0.759 5.491 8.897 563 HA VAL 76 HA VAL 76 0.066 6.397 6.217 564 HB VAL 76 HB VAL 76 1.719 6.302 8.735 565 HG11 VAL 76 1HG1 VAL 76 3.305 7.195 6.592 566 HG12 VAL 76 2HG1 VAL 76 3.503 5.723 7.546 567 HG13 VAL 76 3HG1 VAL 76 2.548 5.693 6.062 568 HG21 VAL 76 1HG2 VAL 76 0.346 8.346 8.081 569 HG22 VAL 76 2HG2 VAL 76 2.061 8.605 8.398 570 HG23 VAL 76 3HG2 VAL 76 1.472 8.534 6.738 571 H TYR 77 H TYR 77 0.533 4.788 4.879 572 HA TYR 77 HA TYR 77 0.983 2.113 5.999 573 HB2 TYR 77 1HB TYR 77 0.155 2.987 3.225 574 HB3 TYR 77 2HB TYR 77 0.439 1.316 3.698 575 HD1 TYR 77 2HD TYR 77 -1.641 4.284 4.563 576 HD2 TYR 77 1HD TYR 77 -1.310 0.042 4.556 577 HE1 TYR 77 2HE TYR 77 -3.977 4.106 5.314 578 HE2 TYR 77 1HE TYR 77 -3.645 -0.148 5.305 579 HH TYR 77 HH TYR 77 -5.384 2.396 6.564 580 H THR 78 H THR 78 2.851 1.046 5.726 581 HA THR 78 HA THR 78 4.938 2.358 4.111 582 HB THR 78 HB THR 78 5.378 0.478 6.436 583 HG1 THR 78 1HG THR 78 4.406 2.777 6.726 584 HG21 THR 78 1HG2 THR 78 7.418 2.433 5.560 585 HG22 THR 78 2HG2 THR 78 7.116 1.076 4.474 586 HG23 THR 78 3HG2 THR 78 7.608 0.779 6.141 587 H CYS 79 H CYS 79 5.912 1.248 2.519 588 HA CYS 79 HA CYS 79 5.062 -1.531 2.101 589 HB2 CYS 79 1HB CYS 79 5.927 -1.095 -0.263 590 HB3 CYS 79 2HB CYS 79 4.472 -0.230 0.220 591 HG CYS 79 HG CYS 79 5.792 2.186 0.698 592 H MET 80 H MET 80 6.477 -3.156 2.213 593 HA MET 80 HA MET 80 9.316 -2.476 2.556 594 HB2 MET 80 1HB MET 80 7.962 -5.069 3.297 595 HB3 MET 80 2HB MET 80 9.560 -4.520 3.784 596 HG2 MET 80 1HG MET 80 8.406 -2.616 4.971 597 HG3 MET 80 2HG MET 80 6.894 -3.470 4.674 598 HE1 MET 80 1HE MET 80 6.357 -4.447 7.734 599 HE2 MET 80 2HE MET 80 5.872 -4.558 6.042 600 HE3 MET 80 3HE MET 80 6.420 -6.000 6.899 601 H VAL 81 H VAL 81 10.815 -3.193 1.162 602 HA VAL 81 HA VAL 81 10.040 -5.248 -0.796 603 HB VAL 81 HB VAL 81 11.600 -2.750 -1.466 604 HG11 VAL 81 1HG1 VAL 81 10.428 -4.447 -3.573 605 HG12 VAL 81 2HG1 VAL 81 11.973 -3.596 -3.526 606 HG13 VAL 81 3HG1 VAL 81 11.790 -5.139 -2.693 607 HG21 VAL 81 1HG2 VAL 81 9.670 -1.972 -2.644 608 HG22 VAL 81 2HG2 VAL 81 8.801 -3.472 -2.322 609 HG23 VAL 81 3HG2 VAL 81 9.173 -2.367 -0.999 610 H THR 82 H THR 82 11.317 -6.929 -0.391 611 HA THR 82 HA THR 82 14.158 -6.421 0.211 612 HB THR 82 HB THR 82 12.817 -9.021 0.870 613 HG1 THR 82 1HG THR 82 12.922 -6.842 2.687 614 HG21 THR 82 1HG2 THR 82 15.070 -7.488 2.174 615 HG22 THR 82 2HG2 THR 82 15.269 -8.815 1.030 616 HG23 THR 82 3HG2 THR 82 14.524 -9.109 2.601 617 H ASN 83 H ASN 83 15.453 -6.855 -1.441 618 HA ASN 83 HA ASN 83 14.832 -9.172 -3.146 619 HB2 ASN 83 1HB ASN 83 14.294 -7.158 -4.401 620 HB3 ASN 83 2HB ASN 83 15.879 -6.479 -4.044 621 HD21 ASN 83 1HD2 ASN 83 14.651 -9.584 -5.253 622 HD22 ASN 83 2HD2 ASN 83 15.709 -9.662 -6.617 623 H VAL 84 H VAL 84 16.599 -10.336 -3.945 624 HA VAL 84 HA VAL 84 18.751 -10.733 -2.286 625 HB VAL 84 HB VAL 84 18.106 -12.309 -4.054 626 HG11 VAL 84 1HG1 VAL 84 17.825 -10.413 -5.765 627 HG12 VAL 84 2HG1 VAL 84 19.558 -10.598 -6.043 628 HG13 VAL 84 3HG1 VAL 84 18.467 -11.955 -6.330 629 HG21 VAL 84 1HG2 VAL 84 20.202 -13.197 -4.313 630 HG22 VAL 84 2HG2 VAL 84 20.938 -11.638 -4.686 631 HG23 VAL 84 3HG2 VAL 84 20.513 -12.037 -3.021 632 H ALA 85 H ALA 85 18.393 -8.387 -4.851 633 HA ALA 85 HA ALA 85 21.164 -7.660 -4.953 634 HB1 ALA 85 1HB ALA 85 20.455 -5.864 -6.403 635 HB2 ALA 85 2HB ALA 85 19.634 -7.356 -6.864 636 HB3 ALA 85 3HB ALA 85 18.770 -6.121 -5.948 637 H GLY 86 H GLY 86 18.246 -6.152 -3.572 638 HA2 GLY 86 1HA GLY 86 19.790 -5.033 -1.411 639 HA3 GLY 86 2HA GLY 86 19.227 -3.828 -2.559 640 H ASN 87 H ASN 87 18.162 -3.063 -0.517 641 HA ASN 87 HA ASN 87 15.463 -4.199 -0.400 642 HB2 ASN 87 1HB ASN 87 16.751 -3.284 2.147 643 HB3 ASN 87 2HB ASN 87 15.405 -4.397 1.916 644 HD21 ASN 87 1HD2 ASN 87 16.210 -6.312 0.369 645 HD22 ASN 87 2HD2 ASN 87 17.620 -7.111 0.969 646 H SER 88 H SER 88 13.867 -2.711 -0.297 647 HA SER 88 HA SER 88 14.534 0.054 0.391 648 HB2 SER 88 1HB SER 88 13.240 -0.805 -2.205 649 HB3 SER 88 2HB SER 88 13.277 0.859 -1.624 650 HG SER 88 HG SER 88 15.344 -0.736 -2.614 651 H ASN 89 H ASN 89 12.742 1.330 1.015 652 HA ASN 89 HA ASN 89 10.114 0.126 1.138 653 HB2 ASN 89 1HB ASN 89 11.193 1.013 3.779 654 HB3 ASN 89 2HB ASN 89 9.922 -0.153 3.423 655 HD21 ASN 89 1HD2 ASN 89 10.470 -2.104 4.035 656 HD22 ASN 89 2HD2 ASN 89 12.042 -2.811 3.917 657 H ALA 90 H ALA 90 8.511 1.624 1.233 658 HA ALA 90 HA ALA 90 9.278 4.414 1.774 659 HB1 ALA 90 1HB ALA 90 9.146 3.997 -0.666 660 HB2 ALA 90 2HB ALA 90 7.452 3.549 -0.464 661 HB3 ALA 90 3HB ALA 90 7.981 5.191 -0.095 662 H SER 91 H SER 91 7.156 5.796 1.870 663 HA SER 91 HA SER 91 5.099 4.297 3.347 664 HB2 SER 91 1HB SER 91 6.384 6.916 4.147 665 HB3 SER 91 2HB SER 91 4.924 6.269 4.895 666 HG SER 91 HG SER 91 7.248 4.694 4.732 667 H ALA 92 H ALA 92 3.129 5.817 3.734 668 HA ALA 92 HA ALA 92 2.615 7.888 1.869 669 HB1 ALA 92 1HB ALA 92 0.780 5.782 1.094 670 HB2 ALA 92 2HB ALA 92 1.756 6.856 0.092 671 HB3 ALA 92 3HB ALA 92 2.456 5.370 0.733 672 H TYR 93 H TYR 93 0.899 9.061 2.524 673 HA TYR 93 HA TYR 93 -0.563 8.105 4.851 674 HB2 TYR 93 1HB TYR 93 0.471 10.400 4.751 675 HB3 TYR 93 2HB TYR 93 -0.728 10.820 3.533 676 HD1 TYR 93 1HD TYR 93 -0.203 9.999 7.078 677 HD2 TYR 93 2HD TYR 93 -3.023 11.223 4.137 678 HE1 TYR 93 1HE TYR 93 -1.787 10.607 8.859 679 HE2 TYR 93 2HE TYR 93 -4.614 11.836 5.910 680 HH TYR 93 HH TYR 93 -3.770 11.473 9.342 681 H LEU 94 H LEU 94 -2.860 8.207 5.007 682 HA LEU 94 HA LEU 94 -4.327 8.352 2.477 683 HB2 LEU 94 1HB LEU 94 -3.883 6.021 2.700 684 HB3 LEU 94 2HB LEU 94 -4.350 6.037 4.399 685 HG LEU 94 HG LEU 94 -6.686 6.731 3.449 686 HD11 LEU 94 1HD1 LEU 94 -5.796 6.971 1.126 687 HD12 LEU 94 2HD1 LEU 94 -7.187 5.898 1.273 688 HD13 LEU 94 3HD1 LEU 94 -5.568 5.223 1.094 689 HD21 LEU 94 1HD2 LEU 94 -6.439 4.724 4.670 690 HD22 LEU 94 2HD2 LEU 94 -5.485 3.973 3.391 691 HD23 LEU 94 3HD2 LEU 94 -7.206 4.274 3.147 692 H ASN 95 H ASN 95 -5.658 10.007 2.877 693 HA ASN 95 HA ASN 95 -6.837 10.352 5.512 694 HB2 ASN 95 1HB ASN 95 -5.963 12.319 4.318 695 HB3 ASN 95 2HB ASN 95 -7.106 12.032 3.009 696 HD21 ASN 95 1HD2 ASN 95 -7.530 14.347 3.693 697 HD22 ASN 95 2HD2 ASN 95 -8.772 14.581 4.870 698 H VAL 96 H VAL 96 -8.822 9.725 6.056 699 HA VAL 96 HA VAL 96 -10.684 8.964 3.899 700 HB VAL 96 HB VAL 96 -10.495 7.697 6.635 701 HG11 VAL 96 1HG1 VAL 96 -12.629 7.796 4.869 702 HG12 VAL 96 2HG1 VAL 96 -11.892 6.220 4.572 703 HG13 VAL 96 3HG1 VAL 96 -12.416 6.658 6.199 704 HG21 VAL 96 1HG2 VAL 96 -8.595 7.277 4.949 705 HG22 VAL 96 2HG2 VAL 96 -9.373 5.882 5.696 706 HG23 VAL 96 3HG2 VAL 96 -9.796 6.349 4.050 707 H SER 97 H SER 97 -12.350 10.305 3.800 708 HA SER 97 HA SER 97 -13.290 11.583 6.280 709 HB2 SER 97 1HB SER 97 -12.446 12.916 4.156 710 HB3 SER 97 2HB SER 97 -14.083 12.599 3.581 711 HG SER 97 HG SER 97 -14.871 13.912 5.055 712 H SER 98 H SER 98 -15.414 11.469 6.864 713 HA SER 98 HA SER 98 -16.930 9.268 6.228 714 HB2 SER 98 1HB SER 98 -17.234 10.976 8.138 715 HB3 SER 98 2HB SER 98 -18.228 11.877 6.994 716 HG SER 98 HG SER 98 -19.221 9.582 6.765 717 H GLY 99 H GLY 99 -18.481 8.749 4.755 718 HA2 GLY 99 1HA GLY 99 -18.481 10.145 2.275 719 HA3 GLY 99 2HA GLY 99 -19.507 8.782 2.696 720 HA PRO 100 HA PRO 100 -21.790 12.992 2.663 721 HB2 PRO 100 1HB PRO 100 -22.862 12.907 0.171 722 HB3 PRO 100 2HB PRO 100 -21.306 13.669 0.522 723 HG2 PRO 100 1HG PRO 100 -21.875 10.954 -0.605 724 HG3 PRO 100 2HG PRO 100 -20.651 12.137 -1.101 725 HD2 PRO 100 1HD PRO 100 -20.065 10.000 0.455 726 HD3 PRO 100 2HD PRO 100 -19.213 11.551 0.601 727 H SER 101 H SER 101 -22.358 9.693 2.034 728 HA SER 101 HA SER 101 -25.125 9.617 1.651 729 HB2 SER 101 1HB SER 101 -23.213 7.652 2.911 730 HB3 SER 101 2HB SER 101 -24.928 7.297 2.704 731 HG SER 101 HG SER 101 -23.038 6.973 0.935 732 H SER 102 H SER 102 -26.811 9.028 3.159 733 HA SER 102 HA SER 102 -26.287 9.856 5.932 734 HB2 SER 102 1HB SER 102 -28.330 10.922 4.023 735 HB3 SER 102 2HB SER 102 -28.741 10.818 5.735 736 HG SER 102 HG SER 102 -27.142 12.589 4.457 737 H GLY 103 H GLY 103 -28.379 9.353 7.290 738 HA2 GLY 103 1HA GLY 103 -29.913 7.804 8.051 739 HA3 GLY 103 2HA GLY 103 -29.924 7.092 6.444 Start of MODEL 10 1 H1 GLY 1 H GLY 1 26.481 3.790 4.229 2 HA2 GLY 1 1HA GLY 1 27.599 5.857 3.120 3 HA3 GLY 1 2HA GLY 1 28.300 4.627 2.079 4 H SER 2 H SER 2 27.295 4.422 0.206 5 HA SER 2 HA SER 2 24.367 4.716 0.141 6 HB2 SER 2 1HB SER 2 26.229 5.712 -2.024 7 HB3 SER 2 2HB SER 2 24.483 5.940 -1.931 8 HG SER 2 HG SER 2 26.031 6.846 0.206 9 H SER 3 H SER 3 23.291 3.175 -0.947 10 HA SER 3 HA SER 3 24.886 1.242 -2.499 11 HB2 SER 3 1HB SER 3 23.703 -0.540 -1.596 12 HB3 SER 3 2HB SER 3 23.782 0.555 -0.216 13 HG SER 3 HG SER 3 21.611 -0.119 -1.841 14 H GLY 4 H GLY 4 22.920 3.702 -2.969 15 HA2 GLY 4 1HA GLY 4 21.631 2.424 -5.292 16 HA3 GLY 4 2HA GLY 4 20.706 3.486 -4.240 17 H SER 5 H SER 5 22.681 3.299 -6.968 18 HA SER 5 HA SER 5 24.032 5.678 -7.111 19 HB2 SER 5 1HB SER 5 24.043 3.894 -8.859 20 HB3 SER 5 2HB SER 5 22.458 4.456 -9.391 21 HG SER 5 HG SER 5 23.597 6.583 -9.591 22 H SER 6 H SER 6 20.706 5.176 -8.305 23 HA SER 6 HA SER 6 20.248 8.065 -7.948 24 HB2 SER 6 1HB SER 6 19.295 6.112 -10.003 25 HB3 SER 6 2HB SER 6 18.261 7.480 -9.590 26 HG SER 6 HG SER 6 19.498 8.333 -11.119 27 H GLY 7 H GLY 7 18.412 5.000 -7.992 28 HA2 GLY 7 1HA GLY 7 17.062 5.867 -5.530 29 HA3 GLY 7 2HA GLY 7 16.083 5.421 -6.919 30 HA PRO 8 HA PRO 8 17.133 1.692 -4.205 31 HB2 PRO 8 1HB PRO 8 14.619 1.210 -3.302 32 HB3 PRO 8 2HB PRO 8 15.758 2.263 -2.456 33 HG2 PRO 8 1HG PRO 8 13.508 2.992 -4.291 34 HG3 PRO 8 2HG PRO 8 13.986 3.739 -2.755 35 HD2 PRO 8 1HD PRO 8 14.640 4.802 -5.158 36 HD3 PRO 8 2HD PRO 8 15.684 4.955 -3.730 37 H PHE 9 H PHE 9 15.395 -0.362 -4.193 38 HA PHE 9 HA PHE 9 15.288 -1.094 -6.986 39 HB2 PHE 9 1HB PHE 9 14.931 -2.546 -4.392 40 HB3 PHE 9 2HB PHE 9 14.337 -3.278 -5.879 41 HD1 PHE 9 2HD PHE 9 17.345 -2.053 -4.138 42 HD2 PHE 9 1HD PHE 9 15.817 -4.246 -7.450 43 HE1 PHE 9 2HE PHE 9 19.607 -2.890 -4.621 44 HE2 PHE 9 1HE PHE 9 18.077 -5.089 -7.938 45 HZ PHE 9 HZ PHE 9 19.975 -4.410 -6.524 46 H ILE 10 H ILE 10 13.381 0.880 -5.614 47 HA ILE 10 HA ILE 10 10.839 -0.441 -6.266 48 HB ILE 10 HB ILE 10 11.188 2.215 -4.881 49 HG12 ILE 10 1HG1 ILE 10 10.909 -0.554 -3.698 50 HG13 ILE 10 2HG1 ILE 10 12.274 0.542 -3.512 51 HG21 ILE 10 1HG2 ILE 10 8.843 0.332 -4.828 52 HG22 ILE 10 2HG2 ILE 10 8.908 2.001 -4.267 53 HG23 ILE 10 3HG2 ILE 10 9.001 1.647 -5.992 54 HD11 ILE 10 1HD1 ILE 10 10.734 0.379 -1.546 55 HD12 ILE 10 2HD1 ILE 10 11.011 2.012 -2.152 56 HD13 ILE 10 3HD1 ILE 10 9.506 1.175 -2.531 57 H MET 11 H MET 11 10.749 -0.259 -8.477 58 HA MET 11 HA MET 11 11.525 1.775 -10.116 59 HB2 MET 11 1HB MET 11 9.091 0.004 -10.311 60 HB3 MET 11 2HB MET 11 9.589 1.087 -11.604 61 HG2 MET 11 1HG MET 11 11.544 -0.113 -12.020 62 HG3 MET 11 2HG MET 11 11.469 -0.946 -10.469 63 HE1 MET 11 1HE MET 11 10.016 -2.588 -9.785 64 HE2 MET 11 2HE MET 11 9.044 -3.678 -10.775 65 HE3 MET 11 3HE MET 11 10.805 -3.794 -10.803 66 H ASP 12 H ASP 12 8.471 1.557 -8.331 67 HA ASP 12 HA ASP 12 8.197 4.459 -8.555 68 HB2 ASP 12 1HB ASP 12 6.309 2.434 -9.646 69 HB3 ASP 12 2HB ASP 12 5.611 3.841 -8.847 70 H ALA 13 H ALA 13 7.932 5.261 -6.589 71 HA ALA 13 HA ALA 13 7.007 3.521 -4.437 72 HB1 ALA 13 1HB ALA 13 9.037 4.723 -3.995 73 HB2 ALA 13 2HB ALA 13 8.266 6.259 -4.392 74 HB3 ALA 13 3HB ALA 13 7.764 5.366 -2.957 75 HA PRO 14 HA PRO 14 2.958 5.246 -4.308 76 HB2 PRO 14 1HB PRO 14 2.340 4.702 -1.720 77 HB3 PRO 14 2HB PRO 14 2.402 3.458 -2.975 78 HG2 PRO 14 1HG PRO 14 4.457 4.183 -0.922 79 HG3 PRO 14 2HG PRO 14 3.925 2.577 -1.455 80 HD2 PRO 14 1HD PRO 14 6.214 3.721 -2.340 81 HD3 PRO 14 2HD PRO 14 5.240 2.631 -3.347 82 H ARG 15 H ARG 15 1.708 6.939 -3.328 83 HA ARG 15 HA ARG 15 3.189 8.772 -1.583 84 HB2 ARG 15 1HB ARG 15 2.792 10.663 -2.943 85 HB3 ARG 15 2HB ARG 15 3.400 9.423 -4.032 86 HG2 ARG 15 1HG ARG 15 1.317 9.084 -5.009 87 HG3 ARG 15 2HG ARG 15 0.460 9.843 -3.665 88 HD2 ARG 15 1HD ARG 15 0.901 11.964 -4.401 89 HD3 ARG 15 2HD ARG 15 2.398 11.490 -5.203 90 HE ARG 15 HE ARG 15 -0.248 11.503 -6.332 91 HH11 ARG 15 2HH1 ARG 15 2.956 10.158 -6.542 92 HH12 ARG 15 1HH1 ARG 15 2.816 9.752 -8.221 93 HH21 ARG 15 2HH2 ARG 15 -0.444 10.973 -8.541 94 HH22 ARG 15 1HH2 ARG 15 0.882 10.217 -9.357 95 H ASP 16 H ASP 16 1.792 10.423 -0.590 96 HA ASP 16 HA ASP 16 -0.352 9.409 0.758 97 HB2 ASP 16 1HB ASP 16 -0.997 11.708 1.278 98 HB3 ASP 16 2HB ASP 16 0.755 11.536 1.329 99 H LEU 17 H LEU 17 -2.555 9.314 0.509 100 HA LEU 17 HA LEU 17 -3.706 10.269 -2.009 101 HB2 LEU 17 1HB LEU 17 -3.183 7.997 -2.495 102 HB3 LEU 17 2HB LEU 17 -3.842 7.454 -0.953 103 HG LEU 17 HG LEU 17 -6.098 8.298 -1.847 104 HD11 LEU 17 1HD1 LEU 17 -5.014 7.800 -4.559 105 HD12 LEU 17 2HD1 LEU 17 -4.713 9.380 -3.837 106 HD13 LEU 17 3HD1 LEU 17 -6.368 8.806 -4.043 107 HD21 LEU 17 1HD2 LEU 17 -4.898 5.858 -1.838 108 HD22 LEU 17 2HD2 LEU 17 -5.320 6.035 -3.541 109 HD23 LEU 17 3HD2 LEU 17 -6.573 6.154 -2.305 110 H ASN 18 H ASN 18 -5.744 11.040 -1.831 111 HA ASN 18 HA ASN 18 -7.038 10.782 0.804 112 HB2 ASN 18 1HB ASN 18 -8.205 12.985 -0.045 113 HB3 ASN 18 2HB ASN 18 -6.598 13.047 0.675 114 HD21 ASN 18 1HD2 ASN 18 -4.819 13.443 -0.623 115 HD22 ASN 18 2HD2 ASN 18 -4.968 14.056 -2.232 116 H ILE 19 H ILE 19 -8.626 9.334 0.657 117 HA ILE 19 HA ILE 19 -10.505 9.574 -1.598 118 HB ILE 19 HB ILE 19 -9.255 7.573 -2.016 119 HG12 ILE 19 1HG1 ILE 19 -11.784 6.593 -0.708 120 HG13 ILE 19 2HG1 ILE 19 -11.828 7.587 -2.161 121 HG21 ILE 19 1HG2 ILE 19 -9.811 5.863 0.130 122 HG22 ILE 19 2HG2 ILE 19 -8.248 6.532 -0.334 123 HG23 ILE 19 3HG2 ILE 19 -9.251 7.372 0.848 124 HD11 ILE 19 1HD1 ILE 19 -10.114 5.737 -2.994 125 HD12 ILE 19 2HD1 ILE 19 -10.996 4.777 -1.806 126 HD13 ILE 19 3HD1 ILE 19 -11.863 5.550 -3.133 127 H SER 20 H SER 20 -12.686 8.960 -1.146 128 HA SER 20 HA SER 20 -13.543 9.752 1.464 129 HB2 SER 20 1HB SER 20 -15.135 8.610 -0.846 130 HB3 SER 20 2HB SER 20 -15.818 9.367 0.593 131 HG SER 20 HG SER 20 -14.553 11.265 -0.043 132 H GLU 21 H GLU 21 -15.113 8.456 2.744 133 HA GLU 21 HA GLU 21 -13.988 5.885 3.319 134 HB2 GLU 21 1HB GLU 21 -14.696 6.996 5.236 135 HB3 GLU 21 2HB GLU 21 -16.187 7.550 4.486 136 HG2 GLU 21 1HG GLU 21 -16.993 5.196 4.509 137 HG3 GLU 21 2HG GLU 21 -15.552 4.766 5.428 138 H GLY 22 H GLY 22 -14.710 3.903 2.783 139 HA2 GLY 22 1HA GLY 22 -16.162 2.256 2.024 140 HA3 GLY 22 2HA GLY 22 -17.415 3.477 1.860 141 H ARG 23 H ARG 23 -14.258 3.842 0.411 142 HA ARG 23 HA ARG 23 -15.457 3.332 -2.232 143 HB2 ARG 23 1HB ARG 23 -13.518 5.519 -1.459 144 HB3 ARG 23 2HB ARG 23 -13.993 5.147 -3.110 145 HG2 ARG 23 1HG ARG 23 -16.415 5.495 -2.113 146 HG3 ARG 23 2HG ARG 23 -15.525 6.472 -0.944 147 HD2 ARG 23 1HD ARG 23 -14.541 7.760 -2.784 148 HD3 ARG 23 2HD ARG 23 -15.445 6.787 -3.943 149 HE ARG 23 HE ARG 23 -17.237 7.923 -2.104 150 HH11 ARG 23 2HH1 ARG 23 -15.132 8.846 -4.719 151 HH12 ARG 23 1HH1 ARG 23 -16.085 10.219 -5.175 152 HH21 ARG 23 2HH2 ARG 23 -18.500 9.728 -2.694 153 HH22 ARG 23 1HH2 ARG 23 -18.000 10.721 -4.021 154 H MET 24 H MET 24 -13.763 2.962 -3.947 155 HA MET 24 HA MET 24 -11.896 0.977 -2.960 156 HB2 MET 24 1HB MET 24 -13.434 0.903 -5.102 157 HB3 MET 24 2HB MET 24 -12.077 1.740 -5.844 158 HG2 MET 24 1HG MET 24 -10.656 -0.061 -5.596 159 HG3 MET 24 2HG MET 24 -11.615 -0.769 -4.299 160 HE1 MET 24 1HE MET 24 -12.227 -3.675 -6.335 161 HE2 MET 24 2HE MET 24 -10.816 -2.889 -7.045 162 HE3 MET 24 3HE MET 24 -11.069 -2.838 -5.300 163 H ALA 25 H ALA 25 -9.859 1.424 -2.475 164 HA ALA 25 HA ALA 25 -8.564 3.715 -3.805 165 HB1 ALA 25 1HB ALA 25 -8.567 2.855 -0.957 166 HB2 ALA 25 2HB ALA 25 -7.116 3.617 -1.608 167 HB3 ALA 25 3HB ALA 25 -8.656 4.474 -1.649 168 H GLU 26 H GLU 26 -6.141 3.550 -3.824 169 HA GLU 26 HA GLU 26 -5.015 0.894 -3.714 170 HB2 GLU 26 1HB GLU 26 -5.210 2.347 -6.359 171 HB3 GLU 26 2HB GLU 26 -4.301 0.870 -6.072 172 HG2 GLU 26 1HG GLU 26 -6.383 -0.292 -5.511 173 HG3 GLU 26 2HG GLU 26 -7.285 1.186 -5.839 174 H LEU 27 H LEU 27 -2.788 0.896 -3.594 175 HA LEU 27 HA LEU 27 -1.553 3.558 -3.402 176 HB2 LEU 27 1HB LEU 27 -1.119 0.980 -1.970 177 HB3 LEU 27 2HB LEU 27 0.231 2.101 -2.137 178 HG LEU 27 HG LEU 27 -2.360 3.071 -1.007 179 HD11 LEU 27 1HD1 LEU 27 -0.991 2.496 1.231 180 HD12 LEU 27 2HD1 LEU 27 -0.518 1.127 0.225 181 HD13 LEU 27 3HD1 LEU 27 -2.224 1.439 0.543 182 HD21 LEU 27 1HD2 LEU 27 -0.057 4.030 0.321 183 HD22 LEU 27 2HD2 LEU 27 -1.147 4.910 -0.751 184 HD23 LEU 27 3HD2 LEU 27 0.270 4.092 -1.411 185 H LYS 28 H LYS 28 -0.258 4.108 -5.012 186 HA LYS 28 HA LYS 28 0.568 2.361 -7.052 187 HB2 LYS 28 1HB LYS 28 1.508 5.114 -6.254 188 HB3 LYS 28 2HB LYS 28 2.126 4.272 -7.670 189 HG2 LYS 28 1HG LYS 28 0.463 5.634 -8.533 190 HG3 LYS 28 2HG LYS 28 -0.339 4.070 -8.369 191 HD2 LYS 28 1HD LYS 28 -1.448 4.762 -6.375 192 HD3 LYS 28 2HD LYS 28 -0.478 6.234 -6.276 193 HE2 LYS 28 1HE LYS 28 -1.639 7.271 -7.972 194 HE3 LYS 28 2HE LYS 28 -2.138 5.748 -8.706 195 HZ1 LYS 28 1HZ LYS 28 -3.173 6.777 -6.120 196 HZ2 LYS 28 2HZ LYS 28 -3.719 5.413 -6.958 197 HZ3 LYS 28 3HZ LYS 28 -3.965 6.956 -7.604 198 H CYS 29 H CYS 29 1.998 0.773 -6.883 199 HA CYS 29 HA CYS 29 4.605 1.288 -5.737 200 HB2 CYS 29 1HB CYS 29 3.440 0.570 -3.750 201 HB3 CYS 29 2HB CYS 29 2.760 -0.815 -4.594 202 HG CYS 29 HG CYS 29 4.567 -2.381 -3.674 203 H ARG 30 H ARG 30 6.116 0.324 -6.931 204 HA ARG 30 HA ARG 30 5.379 -2.068 -8.478 205 HB2 ARG 30 1HB ARG 30 6.647 0.473 -9.439 206 HB3 ARG 30 2HB ARG 30 7.023 -1.048 -10.237 207 HG2 ARG 30 1HG ARG 30 5.283 -0.326 -11.521 208 HG3 ARG 30 2HG ARG 30 4.412 -1.284 -10.322 209 HD2 ARG 30 1HD ARG 30 4.325 0.992 -9.024 210 HD3 ARG 30 2HD ARG 30 4.592 1.678 -10.626 211 HE ARG 30 HE ARG 30 2.464 -0.236 -10.581 212 HH11 ARG 30 2HH1 ARG 30 3.301 3.084 -9.947 213 HH12 ARG 30 1HH1 ARG 30 1.688 3.672 -10.183 214 HH21 ARG 30 2HH2 ARG 30 0.337 0.526 -10.895 215 HH22 ARG 30 1HH2 ARG 30 0.003 2.216 -10.722 216 H THR 31 H THR 31 6.694 -3.713 -8.089 217 HA THR 31 HA THR 31 9.468 -3.146 -7.271 218 HB THR 31 HB THR 31 9.269 -5.324 -5.918 219 HG1 THR 31 1HG THR 31 6.987 -5.524 -5.149 220 HG21 THR 31 1HG2 THR 31 7.680 -2.942 -4.957 221 HG22 THR 31 2HG2 THR 31 9.441 -3.037 -4.953 222 HG23 THR 31 3HG2 THR 31 8.496 -4.146 -3.961 223 HA PRO 32 HA PRO 32 10.744 -5.900 -10.448 224 HB2 PRO 32 1HB PRO 32 13.050 -6.857 -9.383 225 HB3 PRO 32 2HB PRO 32 12.890 -5.210 -10.005 226 HG2 PRO 32 1HG PRO 32 12.761 -6.188 -7.179 227 HG3 PRO 32 2HG PRO 32 13.580 -4.757 -7.831 228 HD2 PRO 32 1HD PRO 32 11.182 -4.619 -6.580 229 HD3 PRO 32 2HD PRO 32 11.636 -3.519 -7.897 230 HA PRO 33 HA PRO 33 9.598 -10.062 -9.618 231 HB2 PRO 33 1HB PRO 33 11.321 -11.485 -11.159 232 HB3 PRO 33 2HB PRO 33 9.997 -10.527 -11.832 233 HG2 PRO 33 1HG PRO 33 12.900 -9.838 -11.588 234 HG3 PRO 33 2HG PRO 33 11.798 -9.573 -12.952 235 HD2 PRO 33 1HD PRO 33 12.465 -7.607 -11.213 236 HD3 PRO 33 2HD PRO 33 10.876 -7.685 -12.002 237 H MET 34 H MET 34 10.076 -11.864 -8.372 238 HA MET 34 HA MET 34 11.144 -13.146 -6.825 239 HB2 MET 34 1HB MET 34 13.784 -12.013 -7.701 240 HB3 MET 34 2HB MET 34 13.425 -13.620 -7.085 241 HG2 MET 34 1HG MET 34 12.056 -13.937 -9.215 242 HG3 MET 34 2HG MET 34 12.880 -12.496 -9.807 243 HE1 MET 34 1HE MET 34 15.351 -12.234 -9.143 244 HE2 MET 34 2HE MET 34 16.566 -13.505 -9.288 245 HE3 MET 34 3HE MET 34 15.819 -12.829 -10.736 246 H SER 35 H SER 35 10.244 -10.498 -6.183 247 HA SER 35 HA SER 35 12.089 -9.878 -3.971 248 HB2 SER 35 1HB SER 35 12.352 -7.924 -5.130 249 HB3 SER 35 2HB SER 35 10.800 -8.081 -5.954 250 HG SER 35 HG SER 35 9.789 -7.446 -4.007 251 H SER 36 H SER 36 11.215 -9.645 -1.975 252 HA SER 36 HA SER 36 8.483 -10.522 -1.629 253 HB2 SER 36 1HB SER 36 9.808 -11.496 -0.006 254 HB3 SER 36 2HB SER 36 10.825 -10.066 0.172 255 HG SER 36 HG SER 36 9.523 -9.340 1.657 256 H VAL 37 H VAL 37 6.862 -9.128 -1.763 257 HA VAL 37 HA VAL 37 7.290 -6.358 -0.862 258 HB VAL 37 HB VAL 37 6.621 -6.327 -3.131 259 HG11 VAL 37 1HG1 VAL 37 4.758 -8.495 -2.298 260 HG12 VAL 37 2HG1 VAL 37 4.307 -7.466 -3.659 261 HG13 VAL 37 3HG1 VAL 37 5.809 -8.389 -3.710 262 HG21 VAL 37 1HG2 VAL 37 4.035 -5.903 -1.655 263 HG22 VAL 37 2HG2 VAL 37 5.407 -4.805 -1.501 264 HG23 VAL 37 3HG2 VAL 37 4.641 -5.044 -3.071 265 H LYS 38 H LYS 38 6.184 -5.584 0.826 266 HA LYS 38 HA LYS 38 3.778 -6.987 1.735 267 HB2 LYS 38 1HB LYS 38 6.132 -6.289 3.500 268 HB3 LYS 38 2HB LYS 38 4.576 -6.864 4.083 269 HG2 LYS 38 1HG LYS 38 5.100 -8.850 2.412 270 HG3 LYS 38 2HG LYS 38 6.760 -8.336 2.723 271 HD2 LYS 38 1HD LYS 38 4.855 -8.775 4.992 272 HD3 LYS 38 2HD LYS 38 5.684 -10.142 4.243 273 HE2 LYS 38 1HE LYS 38 7.843 -8.963 4.656 274 HE3 LYS 38 2HE LYS 38 6.947 -7.737 5.552 275 HZ1 LYS 38 1HZ LYS 38 7.102 -9.019 7.331 276 HZ2 LYS 38 2HZ LYS 38 7.876 -10.236 6.449 277 HZ3 LYS 38 3HZ LYS 38 6.188 -10.215 6.559 278 H TRP 39 H TRP 39 2.910 -5.657 3.765 279 HA TRP 39 HA TRP 39 3.303 -2.795 3.431 280 HB2 TRP 39 1HB TRP 39 0.713 -4.206 2.815 281 HB3 TRP 39 2HB TRP 39 0.756 -2.509 3.284 282 HD1 TRP 39 HD TRP 39 1.784 -4.849 0.425 283 HE1 TRP 39 1HE TRP 39 2.207 -3.429 -1.680 284 HE3 TRP 39 3HE TRP 39 1.398 -0.190 2.495 285 HZ2 TRP 39 2HZ TRP 39 2.358 -0.697 -2.371 286 HZ3 TRP 39 3HZ TRP 39 1.695 1.774 1.044 287 HH2 TRP 39 HH TRP 39 2.166 1.524 -1.339 288 H LEU 40 H LEU 40 3.560 -2.048 5.421 289 HA LEU 40 HA LEU 40 2.358 -3.454 7.672 290 HB2 LEU 40 1HB LEU 40 4.787 -2.674 7.557 291 HB3 LEU 40 2HB LEU 40 4.153 -1.050 7.816 292 HG LEU 40 HG LEU 40 3.470 -3.225 9.749 293 HD11 LEU 40 1HD1 LEU 40 5.529 -2.282 11.031 294 HD12 LEU 40 2HD1 LEU 40 6.116 -1.883 9.416 295 HD13 LEU 40 3HD1 LEU 40 5.747 -3.557 9.832 296 HD21 LEU 40 1HD2 LEU 40 2.567 -0.771 9.647 297 HD22 LEU 40 2HD2 LEU 40 4.113 -0.387 10.404 298 HD23 LEU 40 3HD2 LEU 40 2.996 -1.502 11.193 299 H LEU 41 H LEU 41 0.601 -2.771 8.708 300 HA LEU 41 HA LEU 41 -0.651 -0.287 7.883 301 HB2 LEU 41 1HB LEU 41 -1.649 -2.306 9.880 302 HB3 LEU 41 2HB LEU 41 -2.586 -1.055 9.065 303 HG LEU 41 HG LEU 41 -3.144 -3.151 8.079 304 HD11 LEU 41 1HD1 LEU 41 -2.721 -1.136 6.597 305 HD12 LEU 41 2HD1 LEU 41 -2.724 -2.712 5.807 306 HD13 LEU 41 3HD1 LEU 41 -1.196 -1.906 6.160 307 HD21 LEU 41 1HD2 LEU 41 -0.857 -4.142 8.856 308 HD22 LEU 41 2HD2 LEU 41 -0.326 -3.672 7.241 309 HD23 LEU 41 3HD2 LEU 41 -1.671 -4.798 7.436 310 HA PRO 42 HA PRO 42 0.570 2.144 11.333 311 HB2 PRO 42 1HB PRO 42 -1.576 3.791 11.557 312 HB3 PRO 42 2HB PRO 42 -0.394 3.926 10.250 313 HG2 PRO 42 1HG PRO 42 -3.091 2.628 10.238 314 HG3 PRO 42 2HG PRO 42 -2.343 3.664 9.009 315 HD2 PRO 42 1HD PRO 42 -2.420 0.966 8.789 316 HD3 PRO 42 2HD PRO 42 -1.085 1.939 8.140 317 H ASN 43 H ASN 43 -1.800 -0.154 11.514 318 HA ASN 43 HA ASN 43 -2.678 0.533 14.213 319 HB2 ASN 43 1HB ASN 43 -4.015 -1.676 13.865 320 HB3 ASN 43 2HB ASN 43 -4.511 -0.227 12.996 321 HD21 ASN 43 1HD2 ASN 43 -2.549 -3.146 12.688 322 HD22 ASN 43 2HD2 ASN 43 -2.797 -3.346 10.990 323 H GLY 44 H GLY 44 -0.224 -1.199 12.711 324 HA2 GLY 44 1HA GLY 44 1.539 -2.150 14.029 325 HA3 GLY 44 2HA GLY 44 0.342 -2.608 15.231 326 H THR 45 H THR 45 0.660 -3.140 11.720 327 HA THR 45 HA THR 45 1.005 -5.974 12.079 328 HB THR 45 HB THR 45 -1.467 -5.187 10.560 329 HG1 THR 45 1HG THR 45 -2.595 -5.832 12.539 330 HG21 THR 45 1HG2 THR 45 -1.989 -7.612 11.457 331 HG22 THR 45 2HG2 THR 45 -0.232 -7.701 11.582 332 HG23 THR 45 3HG2 THR 45 -0.990 -7.369 10.024 333 H VAL 46 H VAL 46 0.880 -7.093 9.843 334 HA VAL 46 HA VAL 46 1.578 -5.318 7.638 335 HB VAL 46 HB VAL 46 3.454 -7.450 8.669 336 HG11 VAL 46 1HG1 VAL 46 3.914 -7.732 6.485 337 HG12 VAL 46 2HG1 VAL 46 3.157 -6.207 6.021 338 HG13 VAL 46 3HG1 VAL 46 4.799 -6.218 6.667 339 HG21 VAL 46 1HG2 VAL 46 3.945 -4.504 8.271 340 HG22 VAL 46 2HG2 VAL 46 3.480 -5.221 9.813 341 HG23 VAL 46 3HG2 VAL 46 5.005 -5.676 9.054 342 H LEU 47 H LEU 47 0.817 -6.055 5.752 343 HA LEU 47 HA LEU 47 -0.089 -8.855 5.639 344 HB2 LEU 47 1HB LEU 47 -1.211 -6.356 4.405 345 HB3 LEU 47 2HB LEU 47 -1.662 -7.966 3.847 346 HG LEU 47 HG LEU 47 -2.121 -6.866 6.620 347 HD11 LEU 47 1HD1 LEU 47 -3.536 -5.845 4.880 348 HD12 LEU 47 2HD1 LEU 47 -4.459 -6.826 6.017 349 HD13 LEU 47 3HD1 LEU 47 -4.087 -7.453 4.411 350 HD21 LEU 47 1HD2 LEU 47 -2.001 -9.541 5.662 351 HD22 LEU 47 2HD2 LEU 47 -3.680 -9.160 6.043 352 HD23 LEU 47 3HD2 LEU 47 -2.430 -8.963 7.272 353 H SER 48 H SER 48 0.054 -9.942 3.596 354 HA SER 48 HA SER 48 1.766 -8.742 1.566 355 HB2 SER 48 1HB SER 48 3.418 -9.765 2.983 356 HB3 SER 48 2HB SER 48 2.486 -11.259 3.082 357 HG SER 48 HG SER 48 3.123 -11.811 1.115 358 H HIS 49 H HIS 49 2.188 -10.655 -0.159 359 HA HIS 49 HA HIS 49 -0.251 -11.124 -1.405 360 HB2 HIS 49 1HB HIS 49 2.217 -11.273 -2.291 361 HB3 HIS 49 2HB HIS 49 2.054 -12.977 -1.878 362 HD1 HIS 49 1HD HIS 49 0.340 -10.359 -4.026 363 HD2 HIS 49 2HD HIS 49 0.822 -14.479 -3.783 364 HE1 HIS 49 1HE HIS 49 -0.721 -11.284 -6.109 365 HE2 HIS 49 2HE HIS 49 -0.493 -13.784 -5.899 366 H ALA 50 H ALA 50 1.338 -12.896 1.094 367 HA ALA 50 HA ALA 50 -0.048 -15.369 0.695 368 HB1 ALA 50 1HB ALA 50 0.953 -14.806 3.395 369 HB2 ALA 50 2HB ALA 50 1.275 -16.169 2.323 370 HB3 ALA 50 3HB ALA 50 2.155 -14.656 2.112 371 H SER 51 H SER 51 -0.440 -12.614 2.900 372 HA SER 51 HA SER 51 -2.448 -13.495 4.528 373 HB2 SER 51 1HB SER 51 -3.007 -11.226 4.938 374 HB3 SER 51 2HB SER 51 -1.294 -11.215 4.521 375 HG SER 51 HG SER 51 -3.447 -10.625 2.766 376 H ARG 52 H ARG 52 -4.795 -12.889 4.486 377 HA ARG 52 HA ARG 52 -5.914 -13.193 1.778 378 HB2 ARG 52 1HB ARG 52 -7.597 -14.682 2.615 379 HB3 ARG 52 2HB ARG 52 -6.032 -15.291 3.135 380 HG2 ARG 52 1HG ARG 52 -7.400 -15.530 5.004 381 HG3 ARG 52 2HG ARG 52 -6.477 -14.060 5.326 382 HD2 ARG 52 1HD ARG 52 -8.293 -12.692 5.035 383 HD3 ARG 52 2HD ARG 52 -9.101 -13.817 3.945 384 HE ARG 52 HE ARG 52 -9.485 -13.627 6.727 385 HH11 ARG 52 2HH1 ARG 52 -9.140 -15.998 4.201 386 HH12 ARG 52 1HH1 ARG 52 -10.084 -17.198 5.019 387 HH21 ARG 52 2HH2 ARG 52 -10.730 -15.199 7.814 388 HH22 ARG 52 1HH2 ARG 52 -10.989 -16.743 7.074 389 H HIS 53 H HIS 53 -5.583 -11.094 4.193 390 HA HIS 53 HA HIS 53 -7.883 -10.117 5.142 391 HB2 HIS 53 1HB HIS 53 -5.583 -9.041 5.250 392 HB3 HIS 53 2HB HIS 53 -5.959 -8.291 3.701 393 HD1 HIS 53 1HD HIS 53 -8.314 -6.828 3.789 394 HD2 HIS 53 2HD HIS 53 -6.321 -7.532 7.366 395 HE1 HIS 53 1HE HIS 53 -9.189 -5.103 5.396 396 HE2 HIS 53 2HE HIS 53 -7.907 -5.494 7.529 397 HA PRO 54 HA PRO 54 -10.656 -9.425 1.786 398 HB2 PRO 54 1HB PRO 54 -12.394 -7.762 3.045 399 HB3 PRO 54 2HB PRO 54 -12.329 -9.500 3.360 400 HG2 PRO 54 1HG PRO 54 -11.135 -7.246 4.926 401 HG3 PRO 54 2HG PRO 54 -11.989 -8.686 5.511 402 HD2 PRO 54 1HD PRO 54 -9.289 -8.484 5.533 403 HD3 PRO 54 2HD PRO 54 -10.128 -10.030 5.297 404 H ARG 55 H ARG 55 -11.208 -6.370 3.330 405 HA ARG 55 HA ARG 55 -11.134 -4.758 1.171 406 HB2 ARG 55 1HB ARG 55 -10.103 -4.098 3.935 407 HB3 ARG 55 2HB ARG 55 -10.448 -2.900 2.694 408 HG2 ARG 55 1HG ARG 55 -12.765 -3.385 2.742 409 HG3 ARG 55 2HG ARG 55 -12.508 -4.830 3.723 410 HD2 ARG 55 1HD ARG 55 -12.522 -1.968 4.509 411 HD3 ARG 55 2HD ARG 55 -13.167 -3.376 5.353 412 HE ARG 55 HE ARG 55 -11.116 -3.690 6.360 413 HH11 ARG 55 2HH1 ARG 55 -10.871 -1.269 3.869 414 HH12 ARG 55 1HH1 ARG 55 -9.289 -0.749 4.349 415 HH21 ARG 55 2HH2 ARG 55 -9.034 -3.014 7.001 416 HH22 ARG 55 1HH2 ARG 55 -8.245 -1.743 6.130 417 H ILE 56 H ILE 56 -8.292 -5.097 3.307 418 HA ILE 56 HA ILE 56 -6.537 -3.930 1.378 419 HB ILE 56 HB ILE 56 -5.880 -5.479 3.887 420 HG12 ILE 56 1HG1 ILE 56 -5.777 -2.491 3.525 421 HG13 ILE 56 2HG1 ILE 56 -7.252 -3.302 4.041 422 HG21 ILE 56 1HG2 ILE 56 -3.839 -5.508 2.932 423 HG22 ILE 56 2HG2 ILE 56 -4.222 -4.192 1.823 424 HG23 ILE 56 3HG2 ILE 56 -3.778 -3.838 3.493 425 HD11 ILE 56 1HD1 ILE 56 -5.744 -2.335 5.842 426 HD12 ILE 56 2HD1 ILE 56 -6.292 -3.999 6.054 427 HD13 ILE 56 3HD1 ILE 56 -4.654 -3.675 5.486 428 H SER 57 H SER 57 -5.709 -4.899 -0.340 429 HA SER 57 HA SER 57 -5.016 -7.743 -0.190 430 HB2 SER 57 1HB SER 57 -6.746 -6.444 -2.294 431 HB3 SER 57 2HB SER 57 -5.900 -7.965 -2.579 432 HG SER 57 HG SER 57 -8.218 -7.790 -1.569 433 H VAL 58 H VAL 58 -2.978 -8.030 -0.779 434 HA VAL 58 HA VAL 58 -1.570 -5.916 -2.193 435 HB VAL 58 HB VAL 58 -0.509 -8.502 -1.046 436 HG11 VAL 58 1HG1 VAL 58 1.680 -7.234 -1.172 437 HG12 VAL 58 2HG1 VAL 58 1.003 -7.775 -2.710 438 HG13 VAL 58 3HG1 VAL 58 0.846 -6.087 -2.221 439 HG21 VAL 58 1HG2 VAL 58 -1.542 -6.558 0.441 440 HG22 VAL 58 2HG2 VAL 58 -0.101 -7.449 0.934 441 HG23 VAL 58 3HG2 VAL 58 0.058 -5.861 0.184 442 H LEU 59 H LEU 59 -1.945 -5.958 -4.339 443 HA LEU 59 HA LEU 59 -2.406 -8.278 -5.870 444 HB2 LEU 59 1HB LEU 59 -1.386 -5.599 -6.803 445 HB3 LEU 59 2HB LEU 59 -2.124 -6.843 -7.810 446 HG LEU 59 HG LEU 59 -3.415 -4.987 -5.848 447 HD11 LEU 59 1HD1 LEU 59 -3.892 -5.770 -8.713 448 HD12 LEU 59 2HD1 LEU 59 -3.391 -4.201 -8.084 449 HD13 LEU 59 3HD1 LEU 59 -5.021 -4.796 -7.771 450 HD21 LEU 59 1HD2 LEU 59 -5.467 -6.327 -6.012 451 HD22 LEU 59 2HD2 LEU 59 -4.172 -7.197 -5.189 452 HD23 LEU 59 3HD2 LEU 59 -4.568 -7.583 -6.864 453 H ASN 60 H ASN 60 -1.067 -9.258 -7.475 454 HA ASN 60 HA ASN 60 1.389 -10.129 -6.659 455 HB2 ASN 60 1HB ASN 60 0.477 -9.752 -9.521 456 HB3 ASN 60 2HB ASN 60 1.811 -10.780 -9.005 457 HD21 ASN 60 1HD2 ASN 60 1.335 -12.835 -8.817 458 HD22 ASN 60 2HD2 ASN 60 -0.222 -13.497 -8.467 459 H ASP 61 H ASP 61 0.863 -7.568 -9.087 460 HA ASP 61 HA ASP 61 3.446 -6.810 -9.559 461 HB2 ASP 61 1HB ASP 61 0.857 -5.327 -9.529 462 HB3 ASP 61 2HB ASP 61 2.345 -4.397 -9.680 463 H GLY 62 H GLY 62 1.429 -5.944 -6.797 464 HA2 GLY 62 1HA GLY 62 2.727 -5.740 -4.674 465 HA3 GLY 62 2HA GLY 62 3.805 -4.681 -5.571 466 H THR 63 H THR 63 0.445 -4.447 -6.261 467 HA THR 63 HA THR 63 0.399 -1.799 -5.019 468 HB THR 63 HB THR 63 -1.501 -3.074 -6.996 469 HG1 THR 63 1HG THR 63 -0.308 -2.112 -8.471 470 HG21 THR 63 1HG2 THR 63 -2.081 -0.466 -7.137 471 HG22 THR 63 2HG2 THR 63 -1.624 -0.557 -5.436 472 HG23 THR 63 3HG2 THR 63 -2.927 -1.571 -6.055 473 H LEU 64 H LEU 64 -0.872 -1.276 -3.334 474 HA LEU 64 HA LEU 64 -2.392 -3.429 -2.077 475 HB2 LEU 64 1HB LEU 64 -0.664 -1.872 -0.922 476 HB3 LEU 64 2HB LEU 64 -1.988 -0.710 -0.893 477 HG LEU 64 HG LEU 64 -3.321 -2.240 0.456 478 HD11 LEU 64 1HD1 LEU 64 -2.891 -4.415 0.243 479 HD12 LEU 64 2HD1 LEU 64 -1.574 -4.152 1.386 480 HD13 LEU 64 3HD1 LEU 64 -1.256 -4.122 -0.348 481 HD21 LEU 64 1HD2 LEU 64 -0.656 -2.150 1.803 482 HD22 LEU 64 2HD2 LEU 64 -2.259 -1.815 2.459 483 HD23 LEU 64 3HD2 LEU 64 -1.483 -0.648 1.388 484 H ASN 65 H ASN 65 -4.432 -3.597 -2.748 485 HA ASN 65 HA ASN 65 -5.944 -1.176 -3.396 486 HB2 ASN 65 1HB ASN 65 -5.994 -2.951 -5.067 487 HB3 ASN 65 2HB ASN 65 -6.584 -4.096 -3.866 488 HD21 ASN 65 1HD2 ASN 65 -7.492 -2.214 -6.365 489 HD22 ASN 65 2HD2 ASN 65 -9.161 -1.987 -5.981 490 H PHE 66 H PHE 66 -7.966 -0.728 -2.470 491 HA PHE 66 HA PHE 66 -8.600 -2.223 -0.016 492 HB2 PHE 66 1HB PHE 66 -8.572 0.782 -0.360 493 HB3 PHE 66 2HB PHE 66 -9.222 -0.054 1.046 494 HD1 PHE 66 1HD PHE 66 -6.092 0.125 -0.972 495 HD2 PHE 66 2HD PHE 66 -7.860 -0.335 2.873 496 HE1 PHE 66 1HE PHE 66 -3.855 0.122 0.053 497 HE2 PHE 66 2HE PHE 66 -5.626 -0.338 3.904 498 HZ PHE 66 HZ PHE 66 -3.619 -0.109 2.494 499 H SER 67 H SER 67 -10.361 -3.297 -0.775 500 HA SER 67 HA SER 67 -12.250 -2.595 -2.581 501 HB2 SER 67 1HB SER 67 -12.172 -4.766 -1.363 502 HB3 SER 67 2HB SER 67 -12.872 -3.968 0.045 503 HG SER 67 HG SER 67 -14.188 -3.719 -2.408 504 H HIS 68 H HIS 68 -12.122 -1.561 0.792 505 HA HIS 68 HA HIS 68 -13.600 0.813 0.223 506 HB2 HIS 68 1HB HIS 68 -15.570 0.412 1.516 507 HB3 HIS 68 2HB HIS 68 -15.417 -0.928 0.384 508 HD1 HIS 68 1HD HIS 68 -14.783 -3.251 1.378 509 HD2 HIS 68 2HD HIS 68 -15.382 -0.267 4.206 510 HE1 HIS 68 1HE HIS 68 -14.979 -4.444 3.583 511 HE2 HIS 68 2HE HIS 68 -15.426 -2.625 5.267 512 H VAL 69 H VAL 69 -12.235 2.123 1.267 513 HA VAL 69 HA VAL 69 -10.911 1.396 3.694 514 HB VAL 69 HB VAL 69 -9.997 3.644 3.686 515 HG11 VAL 69 1HG1 VAL 69 -9.443 1.750 1.882 516 HG12 VAL 69 2HG1 VAL 69 -9.937 3.045 0.790 517 HG13 VAL 69 3HG1 VAL 69 -8.612 3.304 1.925 518 HG21 VAL 69 1HG2 VAL 69 -11.952 4.185 1.453 519 HG22 VAL 69 2HG2 VAL 69 -11.987 4.887 3.070 520 HG23 VAL 69 3HG2 VAL 69 -10.667 5.277 1.968 521 H LEU 70 H LEU 70 -10.971 3.010 5.586 522 HA LEU 70 HA LEU 70 -13.640 4.064 6.106 523 HB2 LEU 70 1HB LEU 70 -12.416 2.406 8.251 524 HB3 LEU 70 2HB LEU 70 -14.111 2.784 7.948 525 HG LEU 70 HG LEU 70 -12.676 1.015 6.025 526 HD11 LEU 70 1HD1 LEU 70 -12.899 0.457 8.829 527 HD12 LEU 70 2HD1 LEU 70 -12.184 -0.519 7.547 528 HD13 LEU 70 3HD1 LEU 70 -13.905 -0.659 7.906 529 HD21 LEU 70 1HD2 LEU 70 -15.467 1.515 6.942 530 HD22 LEU 70 2HD2 LEU 70 -15.053 -0.068 6.283 531 HD23 LEU 70 3HD2 LEU 70 -14.823 1.383 5.306 532 H LEU 71 H LEU 71 -13.710 5.368 8.112 533 HA LEU 71 HA LEU 71 -11.609 7.221 8.199 534 HB2 LEU 71 1HB LEU 71 -13.796 6.681 10.201 535 HB3 LEU 71 2HB LEU 71 -12.739 8.091 10.228 536 HG LEU 71 HG LEU 71 -14.617 7.434 7.962 537 HD11 LEU 71 1HD1 LEU 71 -15.228 9.729 9.666 538 HD12 LEU 71 2HD1 LEU 71 -15.403 8.169 10.469 539 HD13 LEU 71 3HD1 LEU 71 -16.295 8.502 8.984 540 HD21 LEU 71 1HD2 LEU 71 -14.164 9.649 7.199 541 HD22 LEU 71 2HD2 LEU 71 -12.615 8.849 7.470 542 HD23 LEU 71 3HD2 LEU 71 -13.224 10.016 8.645 543 H SER 72 H SER 72 -11.934 4.173 9.676 544 HA SER 72 HA SER 72 -10.065 4.768 11.829 545 HB2 SER 72 1HB SER 72 -11.821 2.459 11.119 546 HB3 SER 72 2HB SER 72 -10.395 2.147 12.109 547 HG SER 72 HG SER 72 -12.028 4.294 12.820 548 H ASP 73 H ASP 73 -9.841 4.062 8.618 549 HA ASP 73 HA ASP 73 -7.444 2.402 8.865 550 HB2 ASP 73 1HB ASP 73 -9.162 3.198 6.518 551 HB3 ASP 73 2HB ASP 73 -7.601 2.407 6.313 552 H THR 74 H THR 74 -8.276 5.629 8.733 553 HA THR 74 HA THR 74 -6.344 6.745 7.039 554 HB THR 74 HB THR 74 -7.513 7.926 9.566 555 HG1 THR 74 1HG THR 74 -9.240 8.192 8.385 556 HG21 THR 74 1HG2 THR 74 -5.365 8.892 8.243 557 HG22 THR 74 2HG2 THR 74 -6.543 9.911 9.072 558 HG23 THR 74 3HG2 THR 74 -6.666 9.656 7.331 559 H GLY 75 H GLY 75 -4.207 7.029 7.207 560 HA2 GLY 75 1HA GLY 75 -2.712 7.597 9.442 561 HA3 GLY 75 2HA GLY 75 -2.780 5.842 9.385 562 H VAL 76 H VAL 76 -0.734 5.329 8.831 563 HA VAL 76 HA VAL 76 0.196 6.282 6.210 564 HB VAL 76 HB VAL 76 1.840 6.102 8.733 565 HG11 VAL 76 1HG1 VAL 76 3.301 5.181 7.191 566 HG12 VAL 76 2HG1 VAL 76 2.672 6.155 5.860 567 HG13 VAL 76 3HG1 VAL 76 3.687 6.899 7.096 568 HG21 VAL 76 1HG2 VAL 76 1.324 8.379 6.822 569 HG22 VAL 76 2HG2 VAL 76 0.598 8.187 8.417 570 HG23 VAL 76 3HG2 VAL 76 2.336 8.446 8.265 571 H TYR 77 H TYR 77 0.738 4.684 4.876 572 HA TYR 77 HA TYR 77 1.089 1.993 6.006 573 HB2 TYR 77 1HB TYR 77 0.251 2.876 3.239 574 HB3 TYR 77 2HB TYR 77 0.530 1.201 3.701 575 HD1 TYR 77 2HD TYR 77 -1.426 4.157 4.898 576 HD2 TYR 77 1HD TYR 77 -1.318 -0.049 4.272 577 HE1 TYR 77 2HE TYR 77 -3.755 3.988 5.671 578 HE2 TYR 77 1HE TYR 77 -3.647 -0.230 5.041 579 HH TYR 77 HH TYR 77 -5.291 2.390 6.552 580 H THR 78 H THR 78 2.980 0.974 5.829 581 HA THR 78 HA THR 78 5.084 2.248 4.220 582 HB THR 78 HB THR 78 5.592 0.163 6.325 583 HG1 THR 78 1HG THR 78 4.924 2.877 6.653 584 HG21 THR 78 1HG2 THR 78 7.229 2.463 5.248 585 HG22 THR 78 2HG2 THR 78 7.441 0.759 4.845 586 HG23 THR 78 3HG2 THR 78 7.752 1.322 6.487 587 H CYS 79 H CYS 79 5.936 1.232 2.516 588 HA CYS 79 HA CYS 79 5.074 -1.524 1.991 589 HB2 CYS 79 1HB CYS 79 4.438 -0.098 0.206 590 HB3 CYS 79 2HB CYS 79 6.004 0.702 0.185 591 HG CYS 79 HG CYS 79 5.561 -2.573 -0.699 592 H MET 80 H MET 80 6.505 -2.989 2.653 593 HA MET 80 HA MET 80 9.339 -2.381 2.719 594 HB2 MET 80 1HB MET 80 7.987 -4.991 3.406 595 HB3 MET 80 2HB MET 80 9.596 -4.466 3.883 596 HG2 MET 80 1HG MET 80 8.519 -2.616 5.171 597 HG3 MET 80 2HG MET 80 6.962 -3.361 4.817 598 HE1 MET 80 1HE MET 80 6.786 -4.758 8.279 599 HE2 MET 80 2HE MET 80 6.726 -3.171 7.510 600 HE3 MET 80 3HE MET 80 5.875 -4.536 6.785 601 H VAL 81 H VAL 81 10.913 -3.317 1.469 602 HA VAL 81 HA VAL 81 10.069 -5.190 -0.628 603 HB VAL 81 HB VAL 81 11.870 -2.842 -1.211 604 HG11 VAL 81 1HG1 VAL 81 10.628 -3.782 -3.526 605 HG12 VAL 81 2HG1 VAL 81 12.311 -4.014 -3.049 606 HG13 VAL 81 3HG1 VAL 81 11.100 -5.227 -2.634 607 HG21 VAL 81 1HG2 VAL 81 9.550 -2.133 -0.604 608 HG22 VAL 81 2HG2 VAL 81 10.031 -1.724 -2.251 609 HG23 VAL 81 3HG2 VAL 81 8.962 -3.096 -1.960 610 H THR 82 H THR 82 11.272 -6.948 -0.408 611 HA THR 82 HA THR 82 14.110 -6.630 0.329 612 HB THR 82 HB THR 82 12.355 -9.001 0.995 613 HG1 THR 82 1HG THR 82 12.334 -8.167 3.083 614 HG21 THR 82 1HG2 THR 82 15.204 -8.279 1.662 615 HG22 THR 82 2HG2 THR 82 14.613 -9.714 0.823 616 HG23 THR 82 3HG2 THR 82 14.292 -9.504 2.544 617 H ASN 83 H ASN 83 15.496 -7.272 -1.176 618 HA ASN 83 HA ASN 83 14.702 -9.422 -3.017 619 HB2 ASN 83 1HB ASN 83 14.506 -7.113 -4.055 620 HB3 ASN 83 2HB ASN 83 16.256 -6.988 -3.900 621 HD21 ASN 83 1HD2 ASN 83 13.785 -9.215 -5.131 622 HD22 ASN 83 2HD2 ASN 83 14.658 -9.670 -6.550 623 H VAL 84 H VAL 84 16.513 -10.525 -4.035 624 HA VAL 84 HA VAL 84 18.570 -11.126 -2.179 625 HB VAL 84 HB VAL 84 17.593 -12.688 -3.935 626 HG11 VAL 84 1HG1 VAL 84 18.346 -10.775 -5.704 627 HG12 VAL 84 2HG1 VAL 84 19.693 -11.908 -5.835 628 HG13 VAL 84 3HG1 VAL 84 18.043 -12.460 -6.126 629 HG21 VAL 84 1HG2 VAL 84 19.593 -13.164 -2.529 630 HG22 VAL 84 2HG2 VAL 84 19.613 -13.974 -4.095 631 HG23 VAL 84 3HG2 VAL 84 20.603 -12.539 -3.833 632 H ALA 85 H ALA 85 18.245 -8.647 -4.439 633 HA ALA 85 HA ALA 85 21.137 -8.315 -4.774 634 HB1 ALA 85 1HB ALA 85 19.296 -8.096 -6.647 635 HB2 ALA 85 2HB ALA 85 19.183 -6.451 -6.020 636 HB3 ALA 85 3HB ALA 85 20.721 -7.056 -6.636 637 H GLY 86 H GLY 86 18.279 -6.481 -3.700 638 HA2 GLY 86 1HA GLY 86 19.882 -5.145 -1.691 639 HA3 GLY 86 2HA GLY 86 19.287 -4.093 -2.967 640 H ASN 87 H ASN 87 18.473 -3.363 -0.600 641 HA ASN 87 HA ASN 87 15.704 -4.350 -0.415 642 HB2 ASN 87 1HB ASN 87 15.753 -4.000 1.991 643 HB3 ASN 87 2HB ASN 87 17.062 -5.084 1.526 644 HD21 ASN 87 1HD2 ASN 87 18.526 -4.703 3.066 645 HD22 ASN 87 2HD2 ASN 87 19.228 -3.161 3.403 646 H SER 88 H SER 88 14.144 -2.780 0.365 647 HA SER 88 HA SER 88 14.807 -0.022 0.602 648 HB2 SER 88 1HB SER 88 13.645 0.759 -1.449 649 HB3 SER 88 2HB SER 88 15.096 -0.175 -1.812 650 HG SER 88 HG SER 88 13.669 -1.129 -3.089 651 H ASN 89 H ASN 89 12.833 1.349 0.761 652 HA ASN 89 HA ASN 89 10.319 -0.031 1.153 653 HB2 ASN 89 1HB ASN 89 10.073 0.759 3.499 654 HB3 ASN 89 2HB ASN 89 11.354 -0.434 3.307 655 HD21 ASN 89 1HD2 ASN 89 11.115 1.369 5.458 656 HD22 ASN 89 2HD2 ASN 89 12.485 2.420 5.426 657 H ALA 90 H ALA 90 8.539 1.449 1.575 658 HA ALA 90 HA ALA 90 9.116 4.277 1.090 659 HB1 ALA 90 1HB ALA 90 8.728 3.530 -1.120 660 HB2 ALA 90 2HB ALA 90 7.340 2.559 -0.626 661 HB3 ALA 90 3HB ALA 90 7.239 4.320 -0.598 662 H SER 91 H SER 91 7.191 5.660 1.443 663 HA SER 91 HA SER 91 5.259 4.440 3.297 664 HB2 SER 91 1HB SER 91 5.411 6.812 4.444 665 HB3 SER 91 2HB SER 91 6.574 5.548 4.845 666 HG SER 91 HG SER 91 8.111 6.601 3.800 667 H ALA 92 H ALA 92 3.281 5.729 3.586 668 HA ALA 92 HA ALA 92 2.649 7.842 1.783 669 HB1 ALA 92 1HB ALA 92 1.724 5.065 1.108 670 HB2 ALA 92 2HB ALA 92 0.856 6.501 0.564 671 HB3 ALA 92 3HB ALA 92 2.529 6.243 0.070 672 H TYR 93 H TYR 93 0.980 8.983 2.570 673 HA TYR 93 HA TYR 93 -0.465 7.862 4.853 674 HB2 TYR 93 1HB TYR 93 0.697 10.059 5.079 675 HB3 TYR 93 2HB TYR 93 -0.396 10.722 3.868 676 HD1 TYR 93 2HD TYR 93 -2.861 10.816 4.380 677 HD2 TYR 93 1HD TYR 93 0.049 9.893 7.343 678 HE1 TYR 93 2HE TYR 93 -4.491 11.358 6.141 679 HE2 TYR 93 1HE TYR 93 -1.573 10.431 9.112 680 HH TYR 93 HH TYR 93 -3.919 12.139 9.000 681 H LEU 94 H LEU 94 -2.622 7.529 4.879 682 HA LEU 94 HA LEU 94 -4.089 8.102 2.390 683 HB2 LEU 94 1HB LEU 94 -3.917 5.753 2.705 684 HB3 LEU 94 2HB LEU 94 -4.378 5.883 4.401 685 HG LEU 94 HG LEU 94 -6.633 6.763 3.451 686 HD11 LEU 94 1HD1 LEU 94 -6.053 7.017 1.158 687 HD12 LEU 94 2HD1 LEU 94 -7.165 5.654 1.270 688 HD13 LEU 94 3HD1 LEU 94 -5.437 5.367 1.067 689 HD21 LEU 94 1HD2 LEU 94 -7.420 4.768 4.068 690 HD22 LEU 94 2HD2 LEU 94 -5.736 4.324 4.348 691 HD23 LEU 94 3HD2 LEU 94 -6.510 3.924 2.814 692 H ASN 95 H ASN 95 -5.767 9.445 2.487 693 HA ASN 95 HA ASN 95 -6.751 10.242 5.139 694 HB2 ASN 95 1HB ASN 95 -6.019 12.196 4.124 695 HB3 ASN 95 2HB ASN 95 -6.513 11.669 2.518 696 HD21 ASN 95 1HD2 ASN 95 -8.594 11.377 5.285 697 HD22 ASN 95 2HD2 ASN 95 -9.721 12.600 4.819 698 H VAL 96 H VAL 96 -8.696 9.578 5.743 699 HA VAL 96 HA VAL 96 -10.638 8.827 3.654 700 HB VAL 96 HB VAL 96 -10.349 7.628 6.412 701 HG11 VAL 96 1HG1 VAL 96 -12.506 7.602 4.461 702 HG12 VAL 96 2HG1 VAL 96 -11.968 5.982 4.908 703 HG13 VAL 96 3HG1 VAL 96 -12.505 7.109 6.154 704 HG21 VAL 96 1HG2 VAL 96 -8.575 6.967 4.824 705 HG22 VAL 96 2HG2 VAL 96 -9.613 5.619 5.288 706 HG23 VAL 96 3HG2 VAL 96 -9.817 6.389 3.714 707 H SER 97 H SER 97 -12.560 9.813 3.683 708 HA SER 97 HA SER 97 -13.301 11.339 6.093 709 HB2 SER 97 1HB SER 97 -12.527 12.628 3.948 710 HB3 SER 97 2HB SER 97 -14.139 12.230 3.354 711 HG SER 97 HG SER 97 -15.009 13.302 5.144 712 H SER 98 H SER 98 -15.615 11.719 6.349 713 HA SER 98 HA SER 98 -17.121 9.341 5.624 714 HB2 SER 98 1HB SER 98 -17.123 10.228 7.963 715 HB3 SER 98 2HB SER 98 -17.971 11.659 7.376 716 HG SER 98 HG SER 98 -18.889 9.059 7.729 717 H GLY 99 H GLY 99 -18.774 9.261 4.210 718 HA2 GLY 99 1HA GLY 99 -19.227 11.597 2.544 719 HA3 GLY 99 2HA GLY 99 -19.830 9.972 2.253 720 HA PRO 100 HA PRO 100 -23.048 12.919 4.238 721 HB2 PRO 100 1HB PRO 100 -24.341 13.766 2.006 722 HB3 PRO 100 2HB PRO 100 -22.985 14.645 2.722 723 HG2 PRO 100 1HG PRO 100 -23.007 12.770 0.388 724 HG3 PRO 100 2HG PRO 100 -22.166 14.321 0.570 725 HD2 PRO 100 1HD PRO 100 -20.913 11.941 0.879 726 HD3 PRO 100 2HD PRO 100 -20.448 13.390 1.791 727 H SER 101 H SER 101 -23.055 10.562 1.657 728 HA SER 101 HA SER 101 -25.196 9.105 2.868 729 HB2 SER 101 1HB SER 101 -26.813 9.245 1.074 730 HB3 SER 101 2HB SER 101 -26.445 10.880 1.623 731 HG SER 101 HG SER 101 -25.295 11.247 -0.190 732 H SER 102 H SER 102 -24.944 7.000 2.448 733 HA SER 102 HA SER 102 -23.947 5.093 1.687 734 HB2 SER 102 1HB SER 102 -24.910 6.530 -0.740 735 HB3 SER 102 2HB SER 102 -23.883 5.116 -0.979 736 HG SER 102 HG SER 102 -26.451 5.133 -0.490 737 H GLY 103 H GLY 103 -22.154 7.255 2.373 738 HA2 GLY 103 1HA GLY 103 -19.810 6.287 0.929 739 HA3 GLY 103 2HA GLY 103 -20.129 8.013 0.841 Start of MODEL 11 1 H1 GLY 1 H GLY 1 30.823 0.151 -2.799 2 HA2 GLY 1 1HA GLY 1 31.387 3.002 -2.258 3 HA3 GLY 1 2HA GLY 1 30.067 2.490 -3.299 4 H SER 2 H SER 2 30.691 3.671 -0.350 5 HA SER 2 HA SER 2 28.460 2.218 0.913 6 HB2 SER 2 1HB SER 2 29.412 2.832 3.075 7 HB3 SER 2 2HB SER 2 30.622 1.994 2.103 8 HG SER 2 HG SER 2 31.324 4.191 1.490 9 H SER 3 H SER 3 29.830 5.358 0.173 10 HA SER 3 HA SER 3 27.778 6.832 1.545 11 HB2 SER 3 1HB SER 3 29.895 7.691 -0.440 12 HB3 SER 3 2HB SER 3 28.801 8.804 0.382 13 HG SER 3 HG SER 3 30.213 7.015 1.976 14 H GLY 4 H GLY 4 26.271 8.282 0.483 15 HA2 GLY 4 1HA GLY 4 25.263 8.955 -1.675 16 HA3 GLY 4 2HA GLY 4 25.429 7.275 -2.166 17 H SER 5 H SER 5 24.089 5.683 -1.151 18 HA SER 5 HA SER 5 22.083 4.879 -0.441 19 HB2 SER 5 1HB SER 5 22.066 7.348 1.311 20 HB3 SER 5 2HB SER 5 21.078 5.906 1.540 21 HG SER 5 HG SER 5 23.887 6.160 1.777 22 H SER 6 H SER 6 21.971 6.199 -2.821 23 HA SER 6 HA SER 6 19.293 7.402 -2.710 24 HB2 SER 6 1HB SER 6 20.000 8.988 -4.524 25 HB3 SER 6 2HB SER 6 20.783 9.280 -2.971 26 HG SER 6 HG SER 6 21.883 8.621 -5.360 27 H GLY 7 H GLY 7 18.069 5.907 -3.678 28 HA2 GLY 7 1HA GLY 7 17.386 5.280 -5.995 29 HA3 GLY 7 2HA GLY 7 19.052 4.772 -6.224 30 HA PRO 8 HA PRO 8 17.030 1.610 -3.156 31 HB2 PRO 8 1HB PRO 8 14.326 1.723 -2.944 32 HB3 PRO 8 2HB PRO 8 15.411 2.625 -1.880 33 HG2 PRO 8 1HG PRO 8 13.912 3.565 -4.294 34 HG3 PRO 8 2HG PRO 8 14.133 4.371 -2.731 35 HD2 PRO 8 1HD PRO 8 15.589 5.016 -4.921 36 HD3 PRO 8 2HD PRO 8 16.244 5.122 -3.275 37 H PHE 9 H PHE 9 15.115 -0.151 -3.486 38 HA PHE 9 HA PHE 9 15.275 -0.852 -6.327 39 HB2 PHE 9 1HB PHE 9 14.650 -2.552 -3.905 40 HB3 PHE 9 2HB PHE 9 14.701 -3.146 -5.561 41 HD1 PHE 9 2HD PHE 9 16.758 -1.597 -2.901 42 HD2 PHE 9 1HD PHE 9 16.719 -3.795 -6.545 43 HE1 PHE 9 2HE PHE 9 19.173 -2.009 -2.674 44 HE2 PHE 9 1HE PHE 9 19.134 -4.212 -6.323 45 HZ PHE 9 HZ PHE 9 20.364 -3.318 -4.386 46 H ILE 10 H ILE 10 13.411 1.107 -5.666 47 HA ILE 10 HA ILE 10 10.880 -0.342 -6.090 48 HB ILE 10 HB ILE 10 11.260 2.236 -4.563 49 HG12 ILE 10 1HG1 ILE 10 10.044 -0.280 -3.472 50 HG13 ILE 10 2HG1 ILE 10 11.795 -0.108 -3.525 51 HG21 ILE 10 1HG2 ILE 10 8.691 0.727 -4.981 52 HG22 ILE 10 2HG2 ILE 10 8.911 2.325 -4.271 53 HG23 ILE 10 3HG2 ILE 10 9.190 2.081 -5.995 54 HD11 ILE 10 1HD1 ILE 10 11.708 1.816 -2.110 55 HD12 ILE 10 2HD1 ILE 10 9.945 1.840 -2.176 56 HD13 ILE 10 3HD1 ILE 10 10.780 0.519 -1.358 57 H MET 11 H MET 11 10.600 -0.139 -8.241 58 HA MET 11 HA MET 11 11.446 1.867 -9.917 59 HB2 MET 11 1HB MET 11 8.944 0.185 -10.109 60 HB3 MET 11 2HB MET 11 9.568 1.175 -11.422 61 HG2 MET 11 1HG MET 11 11.299 -0.888 -10.132 62 HG3 MET 11 2HG MET 11 10.114 -1.347 -11.352 63 HE1 MET 11 1HE MET 11 12.722 -2.196 -11.634 64 HE2 MET 11 2HE MET 11 12.332 -2.143 -13.353 65 HE3 MET 11 3HE MET 11 13.811 -1.385 -12.760 66 H ASP 12 H ASP 12 8.263 1.636 -8.334 67 HA ASP 12 HA ASP 12 8.058 4.561 -8.509 68 HB2 ASP 12 1HB ASP 12 6.688 3.586 -10.313 69 HB3 ASP 12 2HB ASP 12 5.813 2.627 -9.122 70 H ALA 13 H ALA 13 7.929 5.334 -6.518 71 HA ALA 13 HA ALA 13 6.978 3.657 -4.345 72 HB1 ALA 13 1HB ALA 13 7.873 5.302 -2.872 73 HB2 ALA 13 2HB ALA 13 9.047 5.057 -4.166 74 HB3 ALA 13 3HB ALA 13 8.007 6.482 -4.176 75 HA PRO 14 HA PRO 14 2.913 5.336 -4.185 76 HB2 PRO 14 1HB PRO 14 2.351 4.883 -1.568 77 HB3 PRO 14 2HB PRO 14 2.409 3.593 -2.775 78 HG2 PRO 14 1HG PRO 14 4.490 4.424 -0.791 79 HG3 PRO 14 2HG PRO 14 3.973 2.792 -1.251 80 HD2 PRO 14 1HD PRO 14 6.227 3.934 -2.223 81 HD3 PRO 14 2HD PRO 14 5.251 2.792 -3.169 82 H ARG 15 H ARG 15 1.697 7.090 -3.354 83 HA ARG 15 HA ARG 15 3.145 8.985 -1.644 84 HB2 ARG 15 1HB ARG 15 3.427 9.561 -4.087 85 HB3 ARG 15 2HB ARG 15 1.690 9.827 -4.152 86 HG2 ARG 15 1HG ARG 15 1.946 11.548 -2.379 87 HG3 ARG 15 2HG ARG 15 3.695 11.339 -2.494 88 HD2 ARG 15 1HD ARG 15 3.284 11.778 -5.037 89 HD3 ARG 15 2HD ARG 15 1.786 12.513 -4.468 90 HE ARG 15 HE ARG 15 3.664 13.679 -2.916 91 HH11 ARG 15 2HH1 ARG 15 3.343 13.253 -6.356 92 HH12 ARG 15 1HH1 ARG 15 4.194 14.710 -6.748 93 HH21 ARG 15 2HH2 ARG 15 4.787 15.600 -3.419 94 HH22 ARG 15 1HH2 ARG 15 5.016 16.044 -5.076 95 H ASP 16 H ASP 16 1.846 10.351 -0.406 96 HA ASP 16 HA ASP 16 -0.369 9.463 0.788 97 HB2 ASP 16 1HB ASP 16 -0.749 11.599 1.611 98 HB3 ASP 16 2HB ASP 16 0.930 11.712 1.089 99 H LEU 17 H LEU 17 -2.441 9.054 0.338 100 HA LEU 17 HA LEU 17 -3.576 10.170 -2.140 101 HB2 LEU 17 1HB LEU 17 -3.161 7.932 -2.679 102 HB3 LEU 17 2HB LEU 17 -3.658 7.365 -1.086 103 HG LEU 17 HG LEU 17 -5.999 8.328 -1.901 104 HD11 LEU 17 1HD1 LEU 17 -5.464 7.196 -4.488 105 HD12 LEU 17 2HD1 LEU 17 -4.446 8.608 -4.206 106 HD13 LEU 17 3HD1 LEU 17 -6.199 8.744 -4.070 107 HD21 LEU 17 1HD2 LEU 17 -6.141 6.155 -1.294 108 HD22 LEU 17 2HD2 LEU 17 -4.672 5.702 -2.158 109 HD23 LEU 17 3HD2 LEU 17 -6.186 5.909 -3.040 110 H ASN 18 H ASN 18 -5.521 11.105 -1.958 111 HA ASN 18 HA ASN 18 -6.894 10.884 0.634 112 HB2 ASN 18 1HB ASN 18 -8.000 13.066 -0.139 113 HB3 ASN 18 2HB ASN 18 -6.298 13.143 0.311 114 HD21 ASN 18 1HD2 ASN 18 -5.858 14.931 -0.920 115 HD22 ASN 18 2HD2 ASN 18 -5.832 14.902 -2.648 116 H ILE 19 H ILE 19 -8.558 9.529 0.572 117 HA ILE 19 HA ILE 19 -10.397 9.682 -1.717 118 HB ILE 19 HB ILE 19 -9.052 7.653 -1.982 119 HG12 ILE 19 1HG1 ILE 19 -11.788 6.811 -1.042 120 HG13 ILE 19 2HG1 ILE 19 -11.570 7.783 -2.493 121 HG21 ILE 19 1HG2 ILE 19 -8.644 6.130 -0.357 122 HG22 ILE 19 2HG2 ILE 19 -8.918 7.525 0.685 123 HG23 ILE 19 3HG2 ILE 19 -10.215 6.363 0.410 124 HD11 ILE 19 1HD1 ILE 19 -11.056 5.992 -3.684 125 HD12 ILE 19 2HD1 ILE 19 -9.820 5.503 -2.524 126 HD13 ILE 19 3HD1 ILE 19 -11.497 5.012 -2.286 127 H SER 20 H SER 20 -12.583 9.151 -1.256 128 HA SER 20 HA SER 20 -13.420 9.973 1.353 129 HB2 SER 20 1HB SER 20 -14.877 9.080 -1.128 130 HB3 SER 20 2HB SER 20 -15.737 9.375 0.383 131 HG SER 20 HG SER 20 -15.482 11.451 0.122 132 H GLU 21 H GLU 21 -14.992 8.733 2.658 133 HA GLU 21 HA GLU 21 -13.962 6.133 3.232 134 HB2 GLU 21 1HB GLU 21 -14.703 7.445 5.078 135 HB3 GLU 21 2HB GLU 21 -16.276 7.717 4.340 136 HG2 GLU 21 1HG GLU 21 -15.454 4.924 4.933 137 HG3 GLU 21 2HG GLU 21 -15.943 5.966 6.269 138 H GLY 22 H GLY 22 -15.022 4.132 3.106 139 HA2 GLY 22 1HA GLY 22 -16.396 2.531 2.194 140 HA3 GLY 22 2HA GLY 22 -17.615 3.785 2.020 141 H ARG 23 H ARG 23 -14.389 3.606 0.563 142 HA ARG 23 HA ARG 23 -15.606 3.169 -2.061 143 HB2 ARG 23 1HB ARG 23 -13.701 5.437 -1.449 144 HB3 ARG 23 2HB ARG 23 -14.289 5.000 -3.048 145 HG2 ARG 23 1HG ARG 23 -16.636 5.345 -1.870 146 HG3 ARG 23 2HG ARG 23 -15.671 6.393 -0.828 147 HD2 ARG 23 1HD ARG 23 -14.861 7.592 -2.815 148 HD3 ARG 23 2HD ARG 23 -15.865 6.561 -3.834 149 HE ARG 23 HE ARG 23 -17.298 7.981 -1.770 150 HH11 ARG 23 2HH1 ARG 23 -16.142 8.031 -5.053 151 HH12 ARG 23 1HH1 ARG 23 -17.306 9.199 -5.583 152 HH21 ARG 23 2HH2 ARG 23 -18.836 9.520 -2.456 153 HH22 ARG 23 1HH2 ARG 23 -18.838 10.046 -4.105 154 H MET 24 H MET 24 -13.909 2.759 -3.753 155 HA MET 24 HA MET 24 -12.000 0.870 -2.698 156 HB2 MET 24 1HB MET 24 -13.466 0.775 -4.901 157 HB3 MET 24 2HB MET 24 -12.078 1.606 -5.589 158 HG2 MET 24 1HG MET 24 -10.638 -0.191 -5.128 159 HG3 MET 24 2HG MET 24 -11.802 -0.947 -4.043 160 HE1 MET 24 1HE MET 24 -11.060 -3.306 -6.843 161 HE2 MET 24 2HE MET 24 -10.921 -2.866 -5.141 162 HE3 MET 24 3HE MET 24 -12.381 -3.662 -5.730 163 H ALA 25 H ALA 25 -9.898 1.205 -2.360 164 HA ALA 25 HA ALA 25 -8.659 3.603 -3.546 165 HB1 ALA 25 1HB ALA 25 -8.683 4.308 -1.390 166 HB2 ALA 25 2HB ALA 25 -8.711 2.670 -0.737 167 HB3 ALA 25 3HB ALA 25 -7.199 3.356 -1.330 168 H GLU 26 H GLU 26 -6.274 3.478 -3.689 169 HA GLU 26 HA GLU 26 -5.082 0.843 -3.637 170 HB2 GLU 26 1HB GLU 26 -5.283 2.340 -6.256 171 HB3 GLU 26 2HB GLU 26 -4.468 0.805 -5.990 172 HG2 GLU 26 1HG GLU 26 -6.490 0.229 -6.985 173 HG3 GLU 26 2HG GLU 26 -6.740 -0.089 -5.270 174 H LEU 27 H LEU 27 -2.818 0.879 -3.735 175 HA LEU 27 HA LEU 27 -1.640 3.569 -3.498 176 HB2 LEU 27 1HB LEU 27 -1.128 1.009 -2.055 177 HB3 LEU 27 2HB LEU 27 0.187 2.167 -2.246 178 HG LEU 27 HG LEU 27 -2.394 3.129 -1.113 179 HD11 LEU 27 1HD1 LEU 27 -1.926 1.010 0.065 180 HD12 LEU 27 2HD1 LEU 27 -1.788 2.423 1.110 181 HD13 LEU 27 3HD1 LEU 27 -0.334 1.633 0.501 182 HD21 LEU 27 1HD2 LEU 27 0.518 3.804 -0.876 183 HD22 LEU 27 2HD2 LEU 27 -0.658 4.387 0.302 184 HD23 LEU 27 3HD2 LEU 27 -0.821 4.826 -1.399 185 H LYS 28 H LYS 28 -0.359 4.125 -5.118 186 HA LYS 28 HA LYS 28 0.456 2.354 -7.154 187 HB2 LYS 28 1HB LYS 28 1.319 5.151 -6.429 188 HB3 LYS 28 2HB LYS 28 1.960 4.298 -7.828 189 HG2 LYS 28 1HG LYS 28 -0.992 4.600 -7.465 190 HG3 LYS 28 2HG LYS 28 -0.026 5.920 -8.131 191 HD2 LYS 28 1HD LYS 28 0.344 3.200 -9.275 192 HD3 LYS 28 2HD LYS 28 -1.135 4.076 -9.679 193 HE2 LYS 28 1HE LYS 28 0.296 4.725 -11.374 194 HE3 LYS 28 2HE LYS 28 0.478 6.038 -10.211 195 HZ1 LYS 28 1HZ LYS 28 2.578 5.035 -11.210 196 HZ2 LYS 28 2HZ LYS 28 2.298 3.712 -10.194 197 HZ3 LYS 28 3HZ LYS 28 2.543 5.249 -9.532 198 H CYS 29 H CYS 29 1.899 0.782 -6.923 199 HA CYS 29 HA CYS 29 4.542 1.384 -5.932 200 HB2 CYS 29 1HB CYS 29 3.537 0.844 -3.826 201 HB3 CYS 29 2HB CYS 29 2.738 -0.571 -4.503 202 HG CYS 29 HG CYS 29 4.619 -2.251 -4.014 203 H ARG 30 H ARG 30 5.974 0.357 -7.160 204 HA ARG 30 HA ARG 30 5.151 -2.142 -8.485 205 HB2 ARG 30 1HB ARG 30 6.713 0.169 -9.642 206 HB3 ARG 30 2HB ARG 30 6.603 -1.409 -10.409 207 HG2 ARG 30 1HG ARG 30 4.266 -1.175 -10.752 208 HG3 ARG 30 2HG ARG 30 4.200 0.265 -9.733 209 HD2 ARG 30 1HD ARG 30 5.718 1.391 -11.370 210 HD3 ARG 30 2HD ARG 30 5.547 -0.019 -12.414 211 HE ARG 30 HE ARG 30 3.621 2.072 -11.994 212 HH11 ARG 30 2HH1 ARG 30 4.081 -1.249 -12.933 213 HH12 ARG 30 1HH1 ARG 30 2.618 -1.326 -13.859 214 HH21 ARG 30 2HH2 ARG 30 1.693 1.983 -13.210 215 HH22 ARG 30 1HH2 ARG 30 1.261 0.513 -14.017 216 H THR 31 H THR 31 6.455 -3.816 -8.140 217 HA THR 31 HA THR 31 9.199 -3.282 -7.203 218 HB THR 31 HB THR 31 9.063 -5.350 -5.863 219 HG1 THR 31 1HG THR 31 6.845 -6.164 -5.538 220 HG21 THR 31 1HG2 THR 31 7.985 -4.385 -4.052 221 HG22 THR 31 2HG2 THR 31 6.711 -3.686 -5.051 222 HG23 THR 31 3HG2 THR 31 8.327 -2.982 -5.062 223 HA PRO 32 HA PRO 32 10.645 -5.777 -10.521 224 HB2 PRO 32 1HB PRO 32 12.971 -6.684 -9.453 225 HB3 PRO 32 2HB PRO 32 12.748 -5.016 -9.994 226 HG2 PRO 32 1HG PRO 32 12.605 -6.143 -7.225 227 HG3 PRO 32 2HG PRO 32 13.370 -4.645 -7.784 228 HD2 PRO 32 1HD PRO 32 10.944 -4.680 -6.584 229 HD3 PRO 32 2HD PRO 32 11.374 -3.494 -7.833 230 HA PRO 33 HA PRO 33 9.709 -10.034 -9.942 231 HB2 PRO 33 1HB PRO 33 11.585 -11.297 -11.445 232 HB3 PRO 33 2HB PRO 33 10.249 -10.377 -12.149 233 HG2 PRO 33 1HG PRO 33 13.095 -9.555 -11.717 234 HG3 PRO 33 2HG PRO 33 12.054 -9.284 -13.126 235 HD2 PRO 33 1HD PRO 33 12.523 -7.367 -11.272 236 HD3 PRO 33 2HD PRO 33 10.985 -7.490 -12.150 237 H MET 34 H MET 34 10.198 -11.839 -8.720 238 HA MET 34 HA MET 34 11.231 -13.114 -7.145 239 HB2 MET 34 1HB MET 34 13.772 -11.880 -8.222 240 HB3 MET 34 2HB MET 34 13.673 -13.303 -7.194 241 HG2 MET 34 1HG MET 34 12.112 -14.150 -9.159 242 HG3 MET 34 2HG MET 34 13.074 -12.994 -10.077 243 HE1 MET 34 1HE MET 34 15.500 -12.730 -9.177 244 HE2 MET 34 2HE MET 34 16.460 -14.029 -8.468 245 HE3 MET 34 3HE MET 34 16.363 -13.859 -10.222 246 H SER 35 H SER 35 10.236 -10.546 -6.443 247 HA SER 35 HA SER 35 12.056 -9.859 -4.229 248 HB2 SER 35 1HB SER 35 11.483 -7.571 -4.405 249 HB3 SER 35 2HB SER 35 11.749 -8.095 -6.068 250 HG SER 35 HG SER 35 9.281 -8.547 -5.800 251 H SER 36 H SER 36 11.044 -9.165 -2.257 252 HA SER 36 HA SER 36 8.533 -10.570 -1.787 253 HB2 SER 36 1HB SER 36 10.719 -10.641 -0.314 254 HB3 SER 36 2HB SER 36 10.045 -9.169 0.384 255 HG SER 36 HG SER 36 8.280 -10.296 1.062 256 H VAL 37 H VAL 37 6.633 -9.600 -1.453 257 HA VAL 37 HA VAL 37 6.610 -6.660 -1.253 258 HB VAL 37 HB VAL 37 4.484 -8.489 -2.378 259 HG11 VAL 37 1HG1 VAL 37 4.225 -5.670 -2.979 260 HG12 VAL 37 2HG1 VAL 37 3.038 -6.795 -2.316 261 HG13 VAL 37 3HG1 VAL 37 4.172 -5.974 -1.243 262 HG21 VAL 37 1HG2 VAL 37 5.283 -6.702 -4.334 263 HG22 VAL 37 2HG2 VAL 37 6.791 -7.175 -3.551 264 HG23 VAL 37 3HG2 VAL 37 5.726 -8.406 -4.230 265 H LYS 38 H LYS 38 5.803 -5.774 0.531 266 HA LYS 38 HA LYS 38 3.757 -7.148 2.074 267 HB2 LYS 38 1HB LYS 38 6.551 -6.687 3.022 268 HB3 LYS 38 2HB LYS 38 5.235 -6.518 4.176 269 HG2 LYS 38 1HG LYS 38 4.534 -8.863 3.193 270 HG3 LYS 38 2HG LYS 38 6.252 -8.940 2.794 271 HD2 LYS 38 1HD LYS 38 5.491 -8.083 5.538 272 HD3 LYS 38 2HD LYS 38 5.315 -9.790 5.124 273 HE2 LYS 38 1HE LYS 38 7.859 -8.424 4.416 274 HE3 LYS 38 2HE LYS 38 7.570 -8.813 6.110 275 HZ1 LYS 38 1HZ LYS 38 7.170 -11.129 5.424 276 HZ2 LYS 38 2HZ LYS 38 8.739 -10.608 5.070 277 HZ3 LYS 38 3HZ LYS 38 7.588 -10.721 3.836 278 H TRP 39 H TRP 39 2.759 -5.770 3.688 279 HA TRP 39 HA TRP 39 3.342 -2.912 3.419 280 HB2 TRP 39 1HB TRP 39 0.693 -4.241 2.874 281 HB3 TRP 39 2HB TRP 39 0.808 -2.539 3.312 282 HD1 TRP 39 HD TRP 39 1.740 -4.964 0.483 283 HE1 TRP 39 1HE TRP 39 2.152 -3.596 -1.658 284 HE3 TRP 39 3HE TRP 39 1.448 -0.258 2.458 285 HZ2 TRP 39 2HZ TRP 39 2.330 -0.881 -2.410 286 HZ3 TRP 39 3HZ TRP 39 1.752 1.671 0.960 287 HH2 TRP 39 HH TRP 39 2.184 1.363 -1.423 288 H LEU 40 H LEU 40 3.490 -2.004 5.356 289 HA LEU 40 HA LEU 40 2.370 -3.404 7.666 290 HB2 LEU 40 1HB LEU 40 4.793 -2.662 7.529 291 HB3 LEU 40 2HB LEU 40 4.193 -1.013 7.700 292 HG LEU 40 HG LEU 40 3.477 -3.066 9.752 293 HD11 LEU 40 1HD1 LEU 40 6.010 -1.452 9.874 294 HD12 LEU 40 2HD1 LEU 40 5.966 -3.126 9.322 295 HD13 LEU 40 3HD1 LEU 40 5.470 -2.727 10.967 296 HD21 LEU 40 1HD2 LEU 40 4.188 -0.249 10.344 297 HD22 LEU 40 2HD2 LEU 40 2.944 -1.279 11.052 298 HD23 LEU 40 3HD2 LEU 40 2.685 -0.544 9.470 299 H LEU 41 H LEU 41 0.809 -2.573 8.952 300 HA LEU 41 HA LEU 41 -0.563 -0.189 7.988 301 HB2 LEU 41 1HB LEU 41 -1.374 -2.120 10.155 302 HB3 LEU 41 2HB LEU 41 -2.384 -0.871 9.430 303 HG LEU 41 HG LEU 41 -3.053 -2.986 8.547 304 HD11 LEU 41 1HD1 LEU 41 -3.265 -2.227 6.461 305 HD12 LEU 41 2HD1 LEU 41 -1.522 -2.218 6.192 306 HD13 LEU 41 3HD1 LEU 41 -2.298 -0.851 6.993 307 HD21 LEU 41 1HD2 LEU 41 -0.444 -3.568 7.277 308 HD22 LEU 41 2HD2 LEU 41 -1.682 -4.667 7.887 309 HD23 LEU 41 3HD2 LEU 41 -0.578 -3.871 9.010 310 HA PRO 42 HA PRO 42 0.857 2.496 11.161 311 HB2 PRO 42 1HB PRO 42 -1.302 4.115 11.451 312 HB3 PRO 42 2HB PRO 42 -0.234 4.181 10.044 313 HG2 PRO 42 1HG PRO 42 -2.892 2.836 10.342 314 HG3 PRO 42 2HG PRO 42 -2.270 3.799 8.989 315 HD2 PRO 42 1HD PRO 42 -2.301 1.092 8.958 316 HD3 PRO 42 2HD PRO 42 -1.046 2.042 8.137 317 H ASN 43 H ASN 43 -1.379 0.144 11.704 318 HA ASN 43 HA ASN 43 -2.078 1.009 14.407 319 HB2 ASN 43 1HB ASN 43 -3.803 -0.522 14.363 320 HB3 ASN 43 2HB ASN 43 -3.665 -0.152 12.647 321 HD21 ASN 43 1HD2 ASN 43 -2.981 -1.703 11.244 322 HD22 ASN 43 2HD2 ASN 43 -2.711 -3.348 11.698 323 H GLY 44 H GLY 44 -0.248 -1.470 12.699 324 HA2 GLY 44 1HA GLY 44 1.850 -2.029 14.032 325 HA3 GLY 44 2HA GLY 44 0.718 -2.480 15.298 326 H THR 45 H THR 45 0.780 -3.080 11.788 327 HA THR 45 HA THR 45 1.221 -5.906 12.197 328 HB THR 45 HB THR 45 -1.336 -5.137 10.805 329 HG1 THR 45 1HG THR 45 -2.199 -6.061 12.934 330 HG21 THR 45 1HG2 THR 45 -0.850 -7.296 10.172 331 HG22 THR 45 2HG2 THR 45 -1.778 -7.594 11.642 332 HG23 THR 45 3HG2 THR 45 -0.017 -7.665 11.682 333 H VAL 46 H VAL 46 1.058 -7.084 10.011 334 HA VAL 46 HA VAL 46 1.586 -5.371 7.716 335 HB VAL 46 HB VAL 46 3.615 -7.386 8.694 336 HG11 VAL 46 1HG1 VAL 46 3.311 -5.883 6.131 337 HG12 VAL 46 2HG1 VAL 46 4.922 -6.277 6.733 338 HG13 VAL 46 3HG1 VAL 46 3.765 -7.565 6.398 339 HG21 VAL 46 1HG2 VAL 46 5.072 -5.547 9.091 340 HG22 VAL 46 2HG2 VAL 46 3.947 -4.412 8.346 341 HG23 VAL 46 3HG2 VAL 46 3.541 -5.173 9.884 342 H LEU 47 H LEU 47 1.046 -6.299 5.797 343 HA LEU 47 HA LEU 47 0.057 -9.071 5.916 344 HB2 LEU 47 1HB LEU 47 -0.824 -6.769 4.182 345 HB3 LEU 47 2HB LEU 47 -1.413 -8.423 4.022 346 HG LEU 47 HG LEU 47 -1.778 -6.716 6.482 347 HD11 LEU 47 1HD1 LEU 47 -4.251 -7.114 5.370 348 HD12 LEU 47 2HD1 LEU 47 -3.236 -6.812 3.960 349 HD13 LEU 47 3HD1 LEU 47 -3.303 -5.630 5.268 350 HD21 LEU 47 1HD2 LEU 47 -2.699 -9.449 5.663 351 HD22 LEU 47 2HD2 LEU 47 -3.595 -8.495 6.846 352 HD23 LEU 47 3HD2 LEU 47 -1.917 -8.942 7.160 353 H SER 48 H SER 48 0.168 -10.284 3.863 354 HA SER 48 HA SER 48 2.125 -9.416 1.916 355 HB2 SER 48 1HB SER 48 3.691 -11.200 2.251 356 HB3 SER 48 2HB SER 48 3.450 -10.424 3.816 357 HG SER 48 HG SER 48 1.882 -12.123 4.232 358 H HIS 49 H HIS 49 2.456 -11.182 0.227 359 HA HIS 49 HA HIS 49 0.190 -11.792 -1.098 360 HB2 HIS 49 1HB HIS 49 2.697 -12.247 -1.695 361 HB3 HIS 49 2HB HIS 49 2.359 -13.861 -1.077 362 HD1 HIS 49 1HD HIS 49 0.277 -11.607 -3.333 363 HD2 HIS 49 2HD HIS 49 1.995 -15.390 -3.275 364 HE1 HIS 49 1HE HIS 49 -0.450 -12.709 -5.473 365 HE2 HIS 49 2HE HIS 49 0.531 -15.027 -5.376 366 H ALA 50 H ALA 50 1.582 -13.651 1.543 367 HA ALA 50 HA ALA 50 -0.083 -15.915 1.338 368 HB1 ALA 50 1HB ALA 50 1.107 -16.657 3.072 369 HB2 ALA 50 2HB ALA 50 2.037 -15.164 2.930 370 HB3 ALA 50 3HB ALA 50 0.689 -15.259 4.064 371 H SER 51 H SER 51 -0.343 -13.020 3.398 372 HA SER 51 HA SER 51 -2.546 -13.520 4.869 373 HB2 SER 51 1HB SER 51 -1.798 -10.978 3.424 374 HB3 SER 51 2HB SER 51 -3.142 -11.059 4.563 375 HG SER 51 HG SER 51 -1.518 -11.933 6.075 376 H ARG 52 H ARG 52 -4.828 -12.891 4.617 377 HA ARG 52 HA ARG 52 -5.793 -13.198 1.854 378 HB2 ARG 52 1HB ARG 52 -7.560 -14.673 2.607 379 HB3 ARG 52 2HB ARG 52 -6.002 -15.336 3.081 380 HG2 ARG 52 1HG ARG 52 -7.441 -13.630 5.037 381 HG3 ARG 52 2HG ARG 52 -8.049 -15.260 4.740 382 HD2 ARG 52 1HD ARG 52 -5.763 -16.127 5.198 383 HD3 ARG 52 2HD ARG 52 -5.275 -14.490 5.635 384 HE ARG 52 HE ARG 52 -7.543 -15.258 7.131 385 HH11 ARG 52 2HH1 ARG 52 -4.123 -15.851 6.865 386 HH12 ARG 52 1HH1 ARG 52 -3.933 -16.270 8.535 387 HH21 ARG 52 2HH2 ARG 52 -7.305 -15.807 9.333 388 HH22 ARG 52 1HH2 ARG 52 -5.744 -16.245 9.938 389 H HIS 53 H HIS 53 -5.450 -10.878 3.716 390 HA HIS 53 HA HIS 53 -7.794 -9.957 4.826 391 HB2 HIS 53 1HB HIS 53 -5.401 -8.886 4.666 392 HB3 HIS 53 2HB HIS 53 -6.079 -8.058 3.267 393 HD1 HIS 53 1HD HIS 53 -8.411 -6.709 3.849 394 HD2 HIS 53 2HD HIS 53 -5.868 -7.613 7.008 395 HE1 HIS 53 1HE HIS 53 -9.083 -5.164 5.717 396 HE2 HIS 53 2HE HIS 53 -7.475 -5.671 7.588 397 HA PRO 54 HA PRO 54 -10.556 -9.599 1.389 398 HB2 PRO 54 1HB PRO 54 -12.483 -8.158 2.646 399 HB3 PRO 54 2HB PRO 54 -12.242 -9.887 2.923 400 HG2 PRO 54 1HG PRO 54 -11.322 -7.559 4.565 401 HG3 PRO 54 2HG PRO 54 -12.031 -9.094 5.099 402 HD2 PRO 54 1HD PRO 54 -9.368 -8.611 5.185 403 HD3 PRO 54 2HD PRO 54 -10.036 -10.231 4.896 404 H ARG 55 H ARG 55 -10.168 -6.658 3.379 405 HA ARG 55 HA ARG 55 -10.704 -4.906 1.190 406 HB2 ARG 55 1HB ARG 55 -9.496 -4.363 3.908 407 HB3 ARG 55 2HB ARG 55 -9.981 -3.121 2.761 408 HG2 ARG 55 1HG ARG 55 -12.290 -4.376 2.885 409 HG3 ARG 55 2HG ARG 55 -11.652 -4.912 4.441 410 HD2 ARG 55 1HD ARG 55 -12.025 -2.070 3.508 411 HD3 ARG 55 2HD ARG 55 -12.943 -2.904 4.761 412 HE ARG 55 HE ARG 55 -10.319 -1.732 5.012 413 HH11 ARG 55 2HH1 ARG 55 -12.615 -3.996 6.324 414 HH12 ARG 55 1HH1 ARG 55 -11.924 -3.976 7.913 415 HH21 ARG 55 2HH2 ARG 55 -9.400 -1.697 7.100 416 HH22 ARG 55 1HH2 ARG 55 -10.096 -2.667 8.353 417 H ILE 56 H ILE 56 -7.746 -5.184 3.166 418 HA ILE 56 HA ILE 56 -6.120 -3.936 1.198 419 HB ILE 56 HB ILE 56 -5.254 -5.632 3.542 420 HG12 ILE 56 1HG1 ILE 56 -5.362 -2.623 3.441 421 HG13 ILE 56 2HG1 ILE 56 -6.736 -3.577 3.988 422 HG21 ILE 56 1HG2 ILE 56 -3.796 -3.805 1.669 423 HG22 ILE 56 2HG2 ILE 56 -3.200 -4.095 3.303 424 HG23 ILE 56 3HG2 ILE 56 -3.379 -5.442 2.179 425 HD11 ILE 56 1HD1 ILE 56 -5.274 -2.700 5.801 426 HD12 ILE 56 2HD1 ILE 56 -5.492 -4.451 5.816 427 HD13 ILE 56 3HD1 ILE 56 -3.993 -3.754 5.202 428 H SER 57 H SER 57 -6.054 -4.953 -0.743 429 HA SER 57 HA SER 57 -5.252 -7.785 -0.776 430 HB2 SER 57 1HB SER 57 -7.411 -6.902 -1.963 431 HB3 SER 57 2HB SER 57 -6.282 -6.341 -3.197 432 HG SER 57 HG SER 57 -6.007 -8.328 -3.830 433 H VAL 58 H VAL 58 -3.249 -8.260 -1.370 434 HA VAL 58 HA VAL 58 -1.568 -6.170 -2.517 435 HB VAL 58 HB VAL 58 -0.801 -8.916 -1.518 436 HG11 VAL 58 1HG1 VAL 58 1.001 -6.562 -2.032 437 HG12 VAL 58 2HG1 VAL 58 1.459 -8.231 -1.687 438 HG13 VAL 58 3HG1 VAL 58 0.703 -7.823 -3.228 439 HG21 VAL 58 1HG2 VAL 58 -0.947 -8.092 0.538 440 HG22 VAL 58 2HG2 VAL 58 0.230 -6.849 0.114 441 HG23 VAL 58 3HG2 VAL 58 -1.493 -6.541 -0.101 442 H LEU 59 H LEU 59 -1.692 -6.021 -4.669 443 HA LEU 59 HA LEU 59 -2.254 -8.260 -6.359 444 HB2 LEU 59 1HB LEU 59 -1.226 -5.538 -7.141 445 HB3 LEU 59 2HB LEU 59 -2.018 -6.712 -8.190 446 HG LEU 59 HG LEU 59 -3.277 -5.117 -5.962 447 HD11 LEU 59 1HD1 LEU 59 -3.424 -5.052 -8.954 448 HD12 LEU 59 2HD1 LEU 59 -3.122 -3.731 -7.826 449 HD13 LEU 59 3HD1 LEU 59 -4.738 -4.426 -7.957 450 HD21 LEU 59 1HD2 LEU 59 -4.428 -7.319 -7.670 451 HD22 LEU 59 2HD2 LEU 59 -5.385 -6.216 -6.680 452 HD23 LEU 59 3HD2 LEU 59 -4.238 -7.318 -5.917 453 H ASN 60 H ASN 60 -0.898 -9.476 -7.578 454 HA ASN 60 HA ASN 60 1.602 -10.136 -6.858 455 HB2 ASN 60 1HB ASN 60 0.395 -11.340 -8.599 456 HB3 ASN 60 2HB ASN 60 0.591 -9.984 -9.706 457 HD21 ASN 60 1HD2 ASN 60 1.900 -10.673 -11.246 458 HD22 ASN 60 2HD2 ASN 60 3.431 -11.435 -11.002 459 H ASP 61 H ASP 61 0.884 -7.663 -9.320 460 HA ASP 61 HA ASP 61 3.411 -6.866 -9.992 461 HB2 ASP 61 1HB ASP 61 0.796 -5.451 -9.807 462 HB3 ASP 61 2HB ASP 61 2.241 -4.470 -10.037 463 H GLY 62 H GLY 62 1.537 -5.846 -7.160 464 HA2 GLY 62 1HA GLY 62 2.961 -5.626 -5.106 465 HA3 GLY 62 2HA GLY 62 4.003 -4.614 -6.095 466 H THR 63 H THR 63 0.474 -4.614 -6.069 467 HA THR 63 HA THR 63 0.569 -1.856 -5.030 468 HB THR 63 HB THR 63 -1.370 -3.061 -7.012 469 HG1 THR 63 1HG THR 63 -0.417 -1.080 -8.163 470 HG21 THR 63 1HG2 THR 63 -2.819 -1.593 -6.096 471 HG22 THR 63 2HG2 THR 63 -1.891 -0.395 -6.997 472 HG23 THR 63 3HG2 THR 63 -1.543 -0.680 -5.293 473 H LEU 64 H LEU 64 -0.825 -1.272 -3.422 474 HA LEU 64 HA LEU 64 -2.241 -3.463 -2.100 475 HB2 LEU 64 1HB LEU 64 -0.567 -1.765 -1.009 476 HB3 LEU 64 2HB LEU 64 -1.989 -0.726 -0.941 477 HG LEU 64 HG LEU 64 -3.139 -2.333 0.458 478 HD11 LEU 64 1HD1 LEU 64 -2.435 -4.435 -0.245 479 HD12 LEU 64 2HD1 LEU 64 -1.702 -4.268 1.350 480 HD13 LEU 64 3HD1 LEU 64 -0.726 -4.020 -0.098 481 HD21 LEU 64 1HD2 LEU 64 -0.969 -0.788 1.203 482 HD22 LEU 64 2HD2 LEU 64 -0.654 -2.352 1.955 483 HD23 LEU 64 3HD2 LEU 64 -2.166 -1.504 2.282 484 H ASN 65 H ASN 65 -4.285 -3.718 -2.719 485 HA ASN 65 HA ASN 65 -5.876 -1.372 -3.450 486 HB2 ASN 65 1HB ASN 65 -5.857 -3.247 -5.035 487 HB3 ASN 65 2HB ASN 65 -6.471 -4.321 -3.782 488 HD21 ASN 65 1HD2 ASN 65 -7.272 -2.258 -6.291 489 HD22 ASN 65 2HD2 ASN 65 -8.970 -2.134 -5.993 490 H PHE 66 H PHE 66 -7.927 -0.977 -2.541 491 HA PHE 66 HA PHE 66 -8.497 -2.393 -0.027 492 HB2 PHE 66 1HB PHE 66 -8.463 0.595 -0.474 493 HB3 PHE 66 2HB PHE 66 -9.202 -0.169 0.929 494 HD1 PHE 66 1HD PHE 66 -5.965 -0.268 -0.929 495 HD2 PHE 66 2HD PHE 66 -7.944 -0.259 2.839 496 HE1 PHE 66 1HE PHE 66 -3.785 -0.267 0.212 497 HE2 PHE 66 2HE PHE 66 -5.768 -0.257 3.986 498 HZ PHE 66 HZ PHE 66 -3.684 -0.261 2.673 499 H SER 67 H SER 67 -10.443 -3.275 -0.116 500 HA SER 67 HA SER 67 -12.316 -2.841 -2.133 501 HB2 SER 67 1HB SER 67 -12.625 -4.024 0.631 502 HB3 SER 67 2HB SER 67 -13.918 -4.029 -0.568 503 HG SER 67 HG SER 67 -12.869 -5.485 -1.723 504 H HIS 68 H HIS 68 -12.281 -1.614 1.204 505 HA HIS 68 HA HIS 68 -13.700 0.760 0.379 506 HB2 HIS 68 1HB HIS 68 -15.528 0.472 2.030 507 HB3 HIS 68 2HB HIS 68 -15.585 -0.725 0.740 508 HD1 HIS 68 1HD HIS 68 -14.350 -3.105 1.473 509 HD2 HIS 68 2HD HIS 68 -15.750 -0.617 4.491 510 HE1 HIS 68 1HE HIS 68 -14.550 -4.566 3.509 511 HE2 HIS 68 2HE HIS 68 -15.480 -3.059 5.300 512 H VAL 69 H VAL 69 -12.308 2.188 1.212 513 HA VAL 69 HA VAL 69 -10.843 1.755 3.615 514 HB VAL 69 HB VAL 69 -10.113 4.097 3.366 515 HG11 VAL 69 1HG1 VAL 69 -10.067 2.597 0.751 516 HG12 VAL 69 2HG1 VAL 69 -8.911 3.816 1.291 517 HG13 VAL 69 3HG1 VAL 69 -9.012 2.264 2.124 518 HG21 VAL 69 1HG2 VAL 69 -12.533 4.419 2.041 519 HG22 VAL 69 2HG2 VAL 69 -11.248 5.617 2.197 520 HG23 VAL 69 3HG2 VAL 69 -11.313 4.573 0.777 521 H LEU 70 H LEU 70 -11.171 2.510 5.656 522 HA LEU 70 HA LEU 70 -13.734 3.875 6.156 523 HB2 LEU 70 1HB LEU 70 -12.255 2.111 8.092 524 HB3 LEU 70 2HB LEU 70 -13.894 2.741 8.244 525 HG LEU 70 HG LEU 70 -13.200 0.878 6.006 526 HD11 LEU 70 1HD1 LEU 70 -12.623 -0.691 7.486 527 HD12 LEU 70 2HD1 LEU 70 -14.334 -0.729 7.912 528 HD13 LEU 70 3HD1 LEU 70 -13.212 0.253 8.855 529 HD21 LEU 70 1HD2 LEU 70 -15.510 2.219 6.876 530 HD22 LEU 70 2HD2 LEU 70 -15.747 0.515 7.267 531 HD23 LEU 70 3HD2 LEU 70 -15.380 0.997 5.611 532 H LEU 71 H LEU 71 -13.788 5.265 8.077 533 HA LEU 71 HA LEU 71 -11.844 7.232 8.053 534 HB2 LEU 71 1HB LEU 71 -13.753 6.468 10.256 535 HB3 LEU 71 2HB LEU 71 -12.807 7.956 10.233 536 HG LEU 71 HG LEU 71 -14.856 7.220 8.146 537 HD11 LEU 71 1HD1 LEU 71 -15.911 7.506 10.334 538 HD12 LEU 71 2HD1 LEU 71 -16.319 8.827 9.240 539 HD13 LEU 71 3HD1 LEU 71 -15.121 9.073 10.510 540 HD21 LEU 71 1HD2 LEU 71 -12.796 9.073 8.085 541 HD22 LEU 71 2HD2 LEU 71 -14.217 10.020 8.528 542 HD23 LEU 71 3HD2 LEU 71 -14.226 9.053 7.052 543 H SER 72 H SER 72 -12.050 4.324 10.008 544 HA SER 72 HA SER 72 -9.950 5.007 11.802 545 HB2 SER 72 1HB SER 72 -10.994 2.263 11.062 546 HB3 SER 72 2HB SER 72 -10.028 2.661 12.483 547 HG SER 72 HG SER 72 -12.356 4.127 12.126 548 H ASP 73 H ASP 73 -10.092 3.468 8.668 549 HA ASP 73 HA ASP 73 -7.530 2.312 8.634 550 HB2 ASP 73 1HB ASP 73 -9.362 3.284 6.447 551 HB3 ASP 73 2HB ASP 73 -7.791 2.568 6.094 552 H THR 74 H THR 74 -8.556 5.579 8.428 553 HA THR 74 HA THR 74 -6.599 6.794 6.906 554 HB THR 74 HB THR 74 -7.873 7.833 9.444 555 HG1 THR 74 1HG THR 74 -9.538 8.139 8.187 556 HG21 THR 74 1HG2 THR 74 -6.980 9.742 7.401 557 HG22 THR 74 2HG2 THR 74 -5.674 8.896 8.230 558 HG23 THR 74 3HG2 THR 74 -6.855 9.821 9.158 559 H GLY 75 H GLY 75 -4.466 7.057 7.088 560 HA2 GLY 75 1HA GLY 75 -2.990 7.642 9.328 561 HA3 GLY 75 2HA GLY 75 -3.049 5.886 9.284 562 H VAL 76 H VAL 76 -1.003 5.369 8.743 563 HA VAL 76 HA VAL 76 -0.059 6.303 6.121 564 HB VAL 76 HB VAL 76 1.633 6.097 8.616 565 HG11 VAL 76 1HG1 VAL 76 2.439 5.534 6.055 566 HG12 VAL 76 2HG1 VAL 76 2.852 7.241 6.226 567 HG13 VAL 76 3HG1 VAL 76 3.489 6.059 7.370 568 HG21 VAL 76 1HG2 VAL 76 0.835 8.449 6.906 569 HG22 VAL 76 2HG2 VAL 76 0.347 8.137 8.572 570 HG23 VAL 76 3HG2 VAL 76 2.031 8.508 8.201 571 H TYR 77 H TYR 77 0.693 4.734 4.826 572 HA TYR 77 HA TYR 77 0.992 2.045 5.988 573 HB2 TYR 77 1HB TYR 77 0.183 2.887 3.199 574 HB3 TYR 77 2HB TYR 77 0.487 1.221 3.679 575 HD1 TYR 77 2HD TYR 77 -1.591 4.162 4.673 576 HD2 TYR 77 1HD TYR 77 -1.297 -0.072 4.383 577 HE1 TYR 77 2HE TYR 77 -3.928 3.955 5.412 578 HE2 TYR 77 1HE TYR 77 -3.633 -0.291 5.120 579 HH TYR 77 HH TYR 77 -5.393 2.310 6.446 580 H THR 78 H THR 78 2.910 1.077 5.879 581 HA THR 78 HA THR 78 4.990 2.311 4.199 582 HB THR 78 HB THR 78 5.397 0.572 6.639 583 HG1 THR 78 1HG THR 78 4.902 2.354 7.667 584 HG21 THR 78 1HG2 THR 78 7.696 1.280 6.527 585 HG22 THR 78 2HG2 THR 78 7.343 2.356 5.175 586 HG23 THR 78 3HG2 THR 78 7.241 0.609 4.962 587 H CYS 79 H CYS 79 5.437 1.211 2.414 588 HA CYS 79 HA CYS 79 4.857 -1.635 2.259 589 HB2 CYS 79 1HB CYS 79 4.169 -0.145 0.415 590 HB3 CYS 79 2HB CYS 79 5.855 0.269 0.131 591 HG CYS 79 HG CYS 79 6.489 -1.789 -1.305 592 H MET 80 H MET 80 6.337 -3.224 2.234 593 HA MET 80 HA MET 80 9.156 -2.433 2.488 594 HB2 MET 80 1HB MET 80 7.864 -5.052 3.266 595 HB3 MET 80 2HB MET 80 9.514 -4.553 3.615 596 HG2 MET 80 1HG MET 80 8.558 -2.662 4.951 597 HG3 MET 80 2HG MET 80 6.975 -3.407 4.740 598 HE1 MET 80 1HE MET 80 6.842 -4.975 8.027 599 HE2 MET 80 2HE MET 80 7.292 -3.281 7.832 600 HE3 MET 80 3HE MET 80 6.125 -4.016 6.732 601 H VAL 81 H VAL 81 10.744 -3.375 1.237 602 HA VAL 81 HA VAL 81 9.902 -5.270 -0.838 603 HB VAL 81 HB VAL 81 11.529 -2.788 -1.405 604 HG11 VAL 81 1HG1 VAL 81 10.414 -4.358 -3.619 605 HG12 VAL 81 2HG1 VAL 81 12.002 -3.609 -3.442 606 HG13 VAL 81 3HG1 VAL 81 11.676 -5.174 -2.695 607 HG21 VAL 81 1HG2 VAL 81 8.988 -3.186 -2.808 608 HG22 VAL 81 2HG2 VAL 81 8.826 -2.892 -1.077 609 HG23 VAL 81 3HG2 VAL 81 9.673 -1.727 -2.093 610 H THR 82 H THR 82 11.202 -6.970 -0.815 611 HA THR 82 HA THR 82 14.018 -6.587 -0.031 612 HB THR 82 HB THR 82 12.381 -9.065 0.529 613 HG1 THR 82 1HG THR 82 11.831 -7.053 1.748 614 HG21 THR 82 1HG2 THR 82 14.411 -9.227 2.227 615 HG22 THR 82 2HG2 THR 82 15.203 -8.245 0.995 616 HG23 THR 82 3HG2 THR 82 14.540 -9.823 0.573 617 H ASN 83 H ASN 83 15.505 -7.323 -1.417 618 HA ASN 83 HA ASN 83 14.714 -9.311 -3.427 619 HB2 ASN 83 1HB ASN 83 16.362 -6.872 -4.107 620 HB3 ASN 83 2HB ASN 83 15.702 -8.068 -5.219 621 HD21 ASN 83 1HD2 ASN 83 14.797 -5.579 -2.892 622 HD22 ASN 83 2HD2 ASN 83 13.312 -5.147 -3.662 623 H VAL 84 H VAL 84 16.725 -10.099 -4.651 624 HA VAL 84 HA VAL 84 18.533 -11.189 -2.775 625 HB VAL 84 HB VAL 84 17.988 -12.361 -4.843 626 HG11 VAL 84 1HG1 VAL 84 18.112 -10.026 -6.112 627 HG12 VAL 84 2HG1 VAL 84 19.734 -10.614 -6.482 628 HG13 VAL 84 3HG1 VAL 84 18.323 -11.565 -6.946 629 HG21 VAL 84 1HG2 VAL 84 20.917 -11.661 -4.872 630 HG22 VAL 84 2HG2 VAL 84 20.182 -12.708 -3.659 631 HG23 VAL 84 3HG2 VAL 84 20.161 -13.179 -5.358 632 H ALA 85 H ALA 85 18.724 -8.451 -4.972 633 HA ALA 85 HA ALA 85 21.523 -7.986 -4.467 634 HB1 ALA 85 1HB ALA 85 20.357 -7.417 -6.616 635 HB2 ALA 85 2HB ALA 85 19.567 -6.096 -5.756 636 HB3 ALA 85 3HB ALA 85 21.323 -6.116 -5.919 637 H GLY 86 H GLY 86 18.471 -6.379 -3.582 638 HA2 GLY 86 1HA GLY 86 19.588 -5.542 -1.062 639 HA3 GLY 86 2HA GLY 86 19.344 -4.214 -2.186 640 H ASN 87 H ASN 87 17.965 -3.721 -0.137 641 HA ASN 87 HA ASN 87 15.216 -4.453 -0.824 642 HB2 ASN 87 1HB ASN 87 14.621 -4.870 1.492 643 HB3 ASN 87 2HB ASN 87 15.940 -5.941 1.029 644 HD21 ASN 87 1HD2 ASN 87 16.963 -6.264 2.897 645 HD22 ASN 87 2HD2 ASN 87 17.623 -5.018 3.895 646 H SER 88 H SER 88 13.640 -2.925 -0.179 647 HA SER 88 HA SER 88 14.522 -0.455 1.067 648 HB2 SER 88 1HB SER 88 13.704 -0.657 -1.818 649 HB3 SER 88 2HB SER 88 13.407 0.824 -0.908 650 HG SER 88 HG SER 88 15.709 0.744 -0.385 651 H ASN 89 H ASN 89 12.532 1.161 0.964 652 HA ASN 89 HA ASN 89 9.957 -0.133 1.028 653 HB2 ASN 89 1HB ASN 89 9.478 0.329 3.374 654 HB3 ASN 89 2HB ASN 89 10.879 -0.730 3.243 655 HD21 ASN 89 1HD2 ASN 89 10.080 2.721 3.406 656 HD22 ASN 89 2HD2 ASN 89 11.396 3.151 4.439 657 H ALA 90 H ALA 90 8.209 1.422 1.578 658 HA ALA 90 HA ALA 90 8.977 4.230 1.227 659 HB1 ALA 90 1HB ALA 90 7.953 4.520 -0.742 660 HB2 ALA 90 2HB ALA 90 8.083 2.767 -0.897 661 HB3 ALA 90 3HB ALA 90 6.592 3.492 -0.295 662 H SER 91 H SER 91 6.905 5.642 1.415 663 HA SER 91 HA SER 91 5.031 4.512 3.365 664 HB2 SER 91 1HB SER 91 6.621 7.056 3.761 665 HB3 SER 91 2HB SER 91 5.261 6.564 4.769 666 HG SER 91 HG SER 91 6.744 4.490 4.794 667 H ALA 92 H ALA 92 3.107 5.859 3.683 668 HA ALA 92 HA ALA 92 2.534 8.062 1.993 669 HB1 ALA 92 1HB ALA 92 2.516 5.834 0.528 670 HB2 ALA 92 2HB ALA 92 0.864 5.770 1.145 671 HB3 ALA 92 3HB ALA 92 1.412 7.177 0.233 672 H TYR 93 H TYR 93 0.939 9.188 2.909 673 HA TYR 93 HA TYR 93 -0.578 7.947 5.062 674 HB2 TYR 93 1HB TYR 93 0.565 10.149 5.378 675 HB3 TYR 93 2HB TYR 93 -0.541 10.845 4.198 676 HD1 TYR 93 2HD TYR 93 -3.067 10.648 4.718 677 HD2 TYR 93 1HD TYR 93 -0.015 10.106 7.633 678 HE1 TYR 93 2HE TYR 93 -4.701 11.088 6.502 679 HE2 TYR 93 1HE TYR 93 -1.642 10.543 9.425 680 HH TYR 93 HH TYR 93 -5.072 10.992 8.724 681 H LEU 94 H LEU 94 -2.635 7.344 4.896 682 HA LEU 94 HA LEU 94 -4.111 8.098 2.471 683 HB2 LEU 94 1HB LEU 94 -3.887 5.745 2.654 684 HB3 LEU 94 2HB LEU 94 -4.355 5.766 4.353 685 HG LEU 94 HG LEU 94 -6.635 6.614 3.472 686 HD11 LEU 94 1HD1 LEU 94 -7.027 6.660 1.284 687 HD12 LEU 94 2HD1 LEU 94 -6.305 5.069 1.046 688 HD13 LEU 94 3HD1 LEU 94 -5.284 6.508 1.057 689 HD21 LEU 94 1HD2 LEU 94 -6.011 4.343 4.450 690 HD22 LEU 94 2HD2 LEU 94 -5.941 3.775 2.781 691 HD23 LEU 94 3HD2 LEU 94 -7.450 4.416 3.433 692 H ASN 95 H ASN 95 -5.658 9.565 2.662 693 HA ASN 95 HA ASN 95 -6.797 10.092 5.314 694 HB2 ASN 95 1HB ASN 95 -5.903 12.079 4.383 695 HB3 ASN 95 2HB ASN 95 -6.606 11.748 2.802 696 HD21 ASN 95 1HD2 ASN 95 -7.313 14.016 3.151 697 HD22 ASN 95 2HD2 ASN 95 -8.821 14.269 3.955 698 H VAL 96 H VAL 96 -8.831 9.564 5.775 699 HA VAL 96 HA VAL 96 -10.626 8.857 3.545 700 HB VAL 96 HB VAL 96 -10.572 7.672 6.324 701 HG11 VAL 96 1HG1 VAL 96 -12.157 6.338 4.267 702 HG12 VAL 96 2HG1 VAL 96 -12.560 6.719 5.942 703 HG13 VAL 96 3HG1 VAL 96 -12.752 7.944 4.687 704 HG21 VAL 96 1HG2 VAL 96 -8.836 7.076 4.390 705 HG22 VAL 96 2HG2 VAL 96 -9.467 5.864 5.505 706 HG23 VAL 96 3HG2 VAL 96 -10.165 6.029 3.893 707 H SER 97 H SER 97 -12.163 10.330 3.298 708 HA SER 97 HA SER 97 -13.039 11.917 5.590 709 HB2 SER 97 1HB SER 97 -13.432 12.214 2.611 710 HB3 SER 97 2HB SER 97 -14.282 13.220 3.783 711 HG SER 97 HG SER 97 -11.687 13.178 4.401 712 H SER 98 H SER 98 -15.198 12.096 6.216 713 HA SER 98 HA SER 98 -16.836 9.772 5.508 714 HB2 SER 98 1HB SER 98 -16.257 10.356 7.932 715 HB3 SER 98 2HB SER 98 -17.373 11.710 7.758 716 HG SER 98 HG SER 98 -18.674 10.151 8.463 717 H GLY 99 H GLY 99 -19.123 10.025 5.144 718 HA2 GLY 99 1HA GLY 99 -20.376 12.531 4.794 719 HA3 GLY 99 2HA GLY 99 -19.755 11.977 3.246 720 HA PRO 100 HA PRO 100 -24.027 10.208 4.061 721 HB2 PRO 100 1HB PRO 100 -25.211 11.285 1.868 722 HB3 PRO 100 2HB PRO 100 -25.136 12.118 3.426 723 HG2 PRO 100 1HG PRO 100 -23.412 12.470 1.004 724 HG3 PRO 100 2HG PRO 100 -24.111 13.703 2.068 725 HD2 PRO 100 1HD PRO 100 -21.529 12.911 2.258 726 HD3 PRO 100 2HD PRO 100 -22.474 13.433 3.667 727 H SER 101 H SER 101 -24.315 8.193 3.358 728 HA SER 101 HA SER 101 -23.486 7.517 0.615 729 HB2 SER 101 1HB SER 101 -23.098 5.777 3.064 730 HB3 SER 101 2HB SER 101 -22.662 5.351 1.409 731 HG SER 101 HG SER 101 -20.838 6.117 2.441 732 H SER 102 H SER 102 -24.462 5.384 -0.099 733 HA SER 102 HA SER 102 -27.305 5.450 0.543 734 HB2 SER 102 1HB SER 102 -26.333 5.436 -1.846 735 HB3 SER 102 2HB SER 102 -26.026 3.721 -1.568 736 HG SER 102 HG SER 102 -28.020 3.533 -2.228 737 H GLY 103 H GLY 103 -24.804 2.938 0.100 738 HA2 GLY 103 1HA GLY 103 -26.399 1.154 1.809 739 HA3 GLY 103 2HA GLY 103 -25.127 0.647 0.708 Start of MODEL 12 1 H1 GLY 1 H GLY 1 31.814 13.662 -5.563 2 HA2 GLY 1 1HA GLY 1 29.745 12.141 -4.115 3 HA3 GLY 1 2HA GLY 1 29.429 13.464 -5.228 4 H SER 2 H SER 2 28.203 10.908 -5.340 5 HA SER 2 HA SER 2 29.283 9.923 -7.899 6 HB2 SER 2 1HB SER 2 28.230 8.422 -5.528 7 HB3 SER 2 2HB SER 2 28.050 7.731 -7.140 8 HG SER 2 HG SER 2 30.100 7.280 -7.152 9 H SER 3 H SER 3 27.910 11.375 -9.022 10 HA SER 3 HA SER 3 25.039 11.126 -8.676 11 HB2 SER 3 1HB SER 3 26.442 13.275 -9.281 12 HB3 SER 3 2HB SER 3 26.278 12.664 -10.927 13 HG SER 3 HG SER 3 23.991 12.785 -9.324 14 H GLY 4 H GLY 4 23.784 9.778 -9.783 15 HA2 GLY 4 1HA GLY 4 23.793 9.191 -12.448 16 HA3 GLY 4 2HA GLY 4 24.925 8.034 -11.764 17 H SER 5 H SER 5 23.974 6.122 -11.595 18 HA SER 5 HA SER 5 21.154 5.795 -11.391 19 HB2 SER 5 1HB SER 5 21.721 3.371 -11.092 20 HB3 SER 5 2HB SER 5 22.455 4.102 -12.519 21 HG SER 5 HG SER 5 23.758 3.764 -10.020 22 H SER 6 H SER 6 20.528 6.917 -9.522 23 HA SER 6 HA SER 6 21.345 5.659 -6.985 24 HB2 SER 6 1HB SER 6 20.463 8.490 -7.568 25 HB3 SER 6 2HB SER 6 20.594 7.838 -5.935 26 HG SER 6 HG SER 6 22.768 7.634 -7.704 27 H GLY 7 H GLY 7 19.593 5.946 -5.239 28 HA2 GLY 7 1HA GLY 7 17.246 6.058 -4.732 29 HA3 GLY 7 2HA GLY 7 16.906 5.615 -6.398 30 HA PRO 8 HA PRO 8 17.081 1.889 -3.387 31 HB2 PRO 8 1HB PRO 8 14.439 1.626 -2.823 32 HB3 PRO 8 2HB PRO 8 15.543 2.580 -1.826 33 HG2 PRO 8 1HG PRO 8 13.622 3.496 -3.931 34 HG3 PRO 8 2HG PRO 8 13.958 4.202 -2.339 35 HD2 PRO 8 1HD PRO 8 15.008 5.201 -4.626 36 HD3 PRO 8 2HD PRO 8 15.866 5.265 -3.074 37 H PHE 9 H PHE 9 15.577 -0.145 -3.669 38 HA PHE 9 HA PHE 9 15.473 -0.651 -6.520 39 HB2 PHE 9 1HB PHE 9 15.158 -2.414 -4.092 40 HB3 PHE 9 2HB PHE 9 14.897 -3.007 -5.729 41 HD1 PHE 9 2HD PHE 9 17.398 -1.645 -3.396 42 HD2 PHE 9 1HD PHE 9 16.717 -3.491 -7.170 43 HE1 PHE 9 2HE PHE 9 19.811 -2.070 -3.619 44 HE2 PHE 9 1HE PHE 9 19.129 -3.920 -7.399 45 HZ PHE 9 HZ PHE 9 20.680 -3.209 -5.623 46 H ILE 10 H ILE 10 13.544 1.188 -5.716 47 HA ILE 10 HA ILE 10 11.060 -0.367 -6.031 48 HB ILE 10 HB ILE 10 11.413 2.287 -4.633 49 HG12 ILE 10 1HG1 ILE 10 10.485 -0.347 -3.482 50 HG13 ILE 10 2HG1 ILE 10 12.161 0.186 -3.425 51 HG21 ILE 10 1HG2 ILE 10 9.103 2.380 -4.299 52 HG22 ILE 10 2HG2 ILE 10 9.274 1.896 -5.986 53 HG23 ILE 10 3HG2 ILE 10 8.876 0.692 -4.760 54 HD11 ILE 10 1HD1 ILE 10 11.719 1.280 -1.561 55 HD12 ILE 10 2HD1 ILE 10 10.582 2.303 -2.441 56 HD13 ILE 10 3HD1 ILE 10 10.020 0.819 -1.670 57 H MET 11 H MET 11 11.181 -0.275 -8.301 58 HA MET 11 HA MET 11 11.713 1.706 -10.019 59 HB2 MET 11 1HB MET 11 9.257 -0.052 -10.153 60 HB3 MET 11 2HB MET 11 9.939 0.839 -11.507 61 HG2 MET 11 1HG MET 11 11.678 -1.060 -10.021 62 HG3 MET 11 2HG MET 11 10.472 -1.698 -11.137 63 HE1 MET 11 1HE MET 11 14.221 -1.715 -12.563 64 HE2 MET 11 2HE MET 11 13.256 -2.365 -11.238 65 HE3 MET 11 3HE MET 11 12.812 -2.718 -12.909 66 H ASP 12 H ASP 12 8.684 1.435 -8.194 67 HA ASP 12 HA ASP 12 8.288 4.312 -8.533 68 HB2 ASP 12 1HB ASP 12 6.925 3.400 -10.294 69 HB3 ASP 12 2HB ASP 12 6.230 2.204 -9.204 70 H ALA 13 H ALA 13 7.941 5.208 -6.619 71 HA ALA 13 HA ALA 13 7.132 3.516 -4.378 72 HB1 ALA 13 1HB ALA 13 8.366 6.251 -4.540 73 HB2 ALA 13 2HB ALA 13 7.746 5.578 -3.031 74 HB3 ALA 13 3HB ALA 13 9.062 4.770 -3.883 75 HA PRO 14 HA PRO 14 3.020 5.060 -4.206 76 HB2 PRO 14 1HB PRO 14 2.527 4.793 -1.550 77 HB3 PRO 14 2HB PRO 14 2.616 3.416 -2.654 78 HG2 PRO 14 1HG PRO 14 4.698 4.484 -0.787 79 HG3 PRO 14 2HG PRO 14 4.240 2.801 -1.107 80 HD2 PRO 14 1HD PRO 14 6.426 3.952 -2.215 81 HD3 PRO 14 2HD PRO 14 5.481 2.700 -3.047 82 H ARG 15 H ARG 15 1.742 6.820 -3.473 83 HA ARG 15 HA ARG 15 3.164 8.912 -1.982 84 HB2 ARG 15 1HB ARG 15 3.445 9.562 -4.267 85 HB3 ARG 15 2HB ARG 15 1.758 9.226 -4.632 86 HG2 ARG 15 1HG ARG 15 1.103 11.075 -3.130 87 HG3 ARG 15 2HG ARG 15 2.813 11.440 -2.887 88 HD2 ARG 15 1HD ARG 15 1.767 11.268 -5.670 89 HD3 ARG 15 2HD ARG 15 1.384 12.698 -4.712 90 HE ARG 15 HE ARG 15 4.107 12.307 -4.466 91 HH11 ARG 15 2HH1 ARG 15 1.836 12.925 -7.032 92 HH12 ARG 15 1HH1 ARG 15 2.981 13.774 -8.017 93 HH21 ARG 15 2HH2 ARG 15 5.623 13.422 -5.754 94 HH22 ARG 15 1HH2 ARG 15 5.135 14.055 -7.290 95 H ASP 16 H ASP 16 1.818 10.408 -0.890 96 HA ASP 16 HA ASP 16 -0.298 9.455 0.503 97 HB2 ASP 16 1HB ASP 16 -0.750 11.640 1.202 98 HB3 ASP 16 2HB ASP 16 0.937 11.722 0.703 99 H LEU 17 H LEU 17 -2.442 9.139 0.238 100 HA LEU 17 HA LEU 17 -3.667 10.033 -2.282 101 HB2 LEU 17 1HB LEU 17 -3.248 7.759 -2.675 102 HB3 LEU 17 2HB LEU 17 -3.708 7.305 -1.036 103 HG LEU 17 HG LEU 17 -6.074 8.000 -1.681 104 HD11 LEU 17 1HD1 LEU 17 -6.579 7.913 -4.080 105 HD12 LEU 17 2HD1 LEU 17 -4.854 7.834 -4.433 106 HD13 LEU 17 3HD1 LEU 17 -5.532 9.273 -3.673 107 HD21 LEU 17 1HD2 LEU 17 -4.671 5.629 -2.890 108 HD22 LEU 17 2HD2 LEU 17 -6.421 5.841 -2.957 109 HD23 LEU 17 3HD2 LEU 17 -5.608 5.702 -1.397 110 H ASN 18 H ASN 18 -5.696 10.838 -2.130 111 HA ASN 18 HA ASN 18 -6.948 10.793 0.537 112 HB2 ASN 18 1HB ASN 18 -7.862 12.980 0.083 113 HB3 ASN 18 2HB ASN 18 -6.128 13.029 -0.223 114 HD21 ASN 18 1HD2 ASN 18 -8.229 14.755 -1.236 115 HD22 ASN 18 2HD2 ASN 18 -8.154 14.650 -2.959 116 H ILE 19 H ILE 19 -8.610 9.434 0.554 117 HA ILE 19 HA ILE 19 -10.527 9.549 -1.670 118 HB ILE 19 HB ILE 19 -9.187 7.523 -1.970 119 HG12 ILE 19 1HG1 ILE 19 -11.785 6.489 -0.927 120 HG13 ILE 19 2HG1 ILE 19 -11.825 7.697 -2.206 121 HG21 ILE 19 1HG2 ILE 19 -10.130 5.967 0.234 122 HG22 ILE 19 2HG2 ILE 19 -8.472 6.307 -0.258 123 HG23 ILE 19 3HG2 ILE 19 -9.308 7.405 0.840 124 HD11 ILE 19 1HD1 ILE 19 -10.126 5.259 -2.489 125 HD12 ILE 19 2HD1 ILE 19 -11.857 5.197 -2.824 126 HD13 ILE 19 3HD1 ILE 19 -10.821 6.293 -3.738 127 H SER 20 H SER 20 -12.692 9.022 -1.122 128 HA SER 20 HA SER 20 -13.426 9.850 1.518 129 HB2 SER 20 1HB SER 20 -15.025 8.907 -0.864 130 HB3 SER 20 2HB SER 20 -15.775 9.347 0.670 131 HG SER 20 HG SER 20 -14.698 10.945 -1.287 132 H GLU 21 H GLU 21 -14.997 8.607 2.849 133 HA GLU 21 HA GLU 21 -13.943 6.007 3.400 134 HB2 GLU 21 1HB GLU 21 -14.650 7.370 5.247 135 HB3 GLU 21 2HB GLU 21 -16.262 7.547 4.568 136 HG2 GLU 21 1HG GLU 21 -16.275 4.927 4.767 137 HG3 GLU 21 2HG GLU 21 -15.040 5.239 5.985 138 H GLY 22 H GLY 22 -14.703 4.048 2.848 139 HA2 GLY 22 1HA GLY 22 -16.214 2.434 2.126 140 HA3 GLY 22 2HA GLY 22 -17.436 3.687 1.967 141 H ARG 23 H ARG 23 -14.224 3.647 0.495 142 HA ARG 23 HA ARG 23 -15.455 3.202 -2.131 143 HB2 ARG 23 1HB ARG 23 -13.518 5.436 -1.498 144 HB3 ARG 23 2HB ARG 23 -14.134 5.036 -3.096 145 HG2 ARG 23 1HG ARG 23 -16.461 5.399 -1.925 146 HG3 ARG 23 2HG ARG 23 -15.491 6.370 -0.815 147 HD2 ARG 23 1HD ARG 23 -14.600 7.610 -2.780 148 HD3 ARG 23 2HD ARG 23 -15.719 6.710 -3.802 149 HE ARG 23 HE ARG 23 -17.054 8.022 -1.651 150 HH11 ARG 23 2HH1 ARG 23 -15.669 8.512 -4.807 151 HH12 ARG 23 1HH1 ARG 23 -16.679 9.869 -5.183 152 HH21 ARG 23 2HH2 ARG 23 -18.389 9.807 -2.134 153 HH22 ARG 23 1HH2 ARG 23 -18.225 10.606 -3.661 154 H MET 24 H MET 24 -13.728 2.865 -3.842 155 HA MET 24 HA MET 24 -11.823 0.940 -2.809 156 HB2 MET 24 1HB MET 24 -13.338 0.793 -4.962 157 HB3 MET 24 2HB MET 24 -11.999 1.658 -5.705 158 HG2 MET 24 1HG MET 24 -10.473 -0.129 -4.962 159 HG3 MET 24 2HG MET 24 -11.857 -1.006 -4.314 160 HE1 MET 24 1HE MET 24 -11.058 -3.309 -6.908 161 HE2 MET 24 2HE MET 24 -11.479 -2.917 -5.241 162 HE3 MET 24 3HE MET 24 -12.752 -3.231 -6.422 163 H ALA 25 H ALA 25 -9.659 1.177 -2.713 164 HA ALA 25 HA ALA 25 -8.467 3.582 -3.914 165 HB1 ALA 25 1HB ALA 25 -7.720 2.591 -1.173 166 HB2 ALA 25 2HB ALA 25 -7.249 4.102 -1.952 167 HB3 ALA 25 3HB ALA 25 -8.921 3.853 -1.447 168 H GLU 26 H GLU 26 -6.042 3.441 -3.981 169 HA GLU 26 HA GLU 26 -4.901 0.786 -3.918 170 HB2 GLU 26 1HB GLU 26 -5.357 2.263 -6.506 171 HB3 GLU 26 2HB GLU 26 -4.129 1.017 -6.338 172 HG2 GLU 26 1HG GLU 26 -5.988 -0.514 -5.559 173 HG3 GLU 26 2HG GLU 26 -7.106 0.728 -6.119 174 H LEU 27 H LEU 27 -2.664 0.790 -3.857 175 HA LEU 27 HA LEU 27 -1.424 3.458 -3.698 176 HB2 LEU 27 1HB LEU 27 -1.024 0.947 -2.135 177 HB3 LEU 27 2HB LEU 27 0.313 2.081 -2.310 178 HG LEU 27 HG LEU 27 -2.357 2.946 -1.240 179 HD11 LEU 27 1HD1 LEU 27 -2.028 1.607 0.513 180 HD12 LEU 27 2HD1 LEU 27 -0.715 2.703 0.945 181 HD13 LEU 27 3HD1 LEU 27 -0.373 1.234 0.031 182 HD21 LEU 27 1HD2 LEU 27 -1.210 4.816 -0.436 183 HD22 LEU 27 2HD2 LEU 27 -0.536 4.558 -2.046 184 HD23 LEU 27 3HD2 LEU 27 0.365 4.044 -0.618 185 H LYS 28 H LYS 28 -0.277 3.864 -5.467 186 HA LYS 28 HA LYS 28 0.653 1.972 -7.300 187 HB2 LYS 28 1HB LYS 28 1.473 4.822 -6.763 188 HB3 LYS 28 2HB LYS 28 2.164 3.877 -8.075 189 HG2 LYS 28 1HG LYS 28 -0.799 4.148 -7.829 190 HG3 LYS 28 2HG LYS 28 0.160 5.449 -8.539 191 HD2 LYS 28 1HD LYS 28 0.763 4.192 -10.364 192 HD3 LYS 28 2HD LYS 28 0.597 2.662 -9.498 193 HE2 LYS 28 1HE LYS 28 -1.660 2.549 -9.856 194 HE3 LYS 28 2HE LYS 28 -1.845 4.300 -9.940 195 HZ1 LYS 28 1HZ LYS 28 -0.741 4.236 -12.119 196 HZ2 LYS 28 2HZ LYS 28 -2.181 3.348 -12.102 197 HZ3 LYS 28 3HZ LYS 28 -0.692 2.547 -12.041 198 H CYS 29 H CYS 29 2.222 0.526 -7.128 199 HA CYS 29 HA CYS 29 4.752 1.223 -5.915 200 HB2 CYS 29 1HB CYS 29 4.756 -0.260 -4.141 201 HB3 CYS 29 2HB CYS 29 3.085 0.289 -4.119 202 HG CYS 29 HG CYS 29 4.299 -2.763 -4.580 203 H ARG 30 H ARG 30 6.360 0.313 -7.026 204 HA ARG 30 HA ARG 30 5.771 -2.100 -8.609 205 HB2 ARG 30 1HB ARG 30 7.182 0.426 -9.415 206 HB3 ARG 30 2HB ARG 30 7.538 -1.095 -10.222 207 HG2 ARG 30 1HG ARG 30 5.316 -1.296 -11.019 208 HG3 ARG 30 2HG ARG 30 4.759 0.024 -9.989 209 HD2 ARG 30 1HD ARG 30 6.192 1.579 -11.250 210 HD3 ARG 30 2HD ARG 30 6.684 0.251 -12.300 211 HE ARG 30 HE ARG 30 4.254 1.742 -12.441 212 HH11 ARG 30 2HH1 ARG 30 5.669 -1.385 -13.026 213 HH12 ARG 30 1HH1 ARG 30 4.518 -1.823 -14.245 214 HH21 ARG 30 2HH2 ARG 30 2.733 1.177 -14.045 215 HH22 ARG 30 1HH2 ARG 30 2.849 -0.364 -14.825 216 H THR 31 H THR 31 7.068 -3.759 -8.198 217 HA THR 31 HA THR 31 9.717 -3.217 -7.023 218 HB THR 31 HB THR 31 9.478 -5.380 -5.786 219 HG1 THR 31 1HG THR 31 7.827 -6.564 -6.366 220 HG21 THR 31 1HG2 THR 31 7.550 -3.134 -5.219 221 HG22 THR 31 2HG2 THR 31 9.152 -3.393 -4.527 222 HG23 THR 31 3HG2 THR 31 7.822 -4.470 -4.102 223 HA PRO 32 HA PRO 32 11.468 -5.686 -10.207 224 HB2 PRO 32 1HB PRO 32 13.612 -6.738 -8.917 225 HB3 PRO 32 2HB PRO 32 13.522 -5.042 -9.404 226 HG2 PRO 32 1HG PRO 32 13.007 -6.273 -6.725 227 HG3 PRO 32 2HG PRO 32 13.893 -4.789 -7.123 228 HD2 PRO 32 1HD PRO 32 11.342 -4.764 -6.216 229 HD3 PRO 32 2HD PRO 32 11.963 -3.549 -7.351 230 HA PRO 33 HA PRO 33 10.299 -9.916 -9.934 231 HB2 PRO 33 1HB PRO 33 12.285 -11.200 -11.267 232 HB3 PRO 33 2HB PRO 33 11.079 -10.193 -12.077 233 HG2 PRO 33 1HG PRO 33 13.885 -9.518 -11.284 234 HG3 PRO 33 2HG PRO 33 13.028 -9.143 -12.790 235 HD2 PRO 33 1HD PRO 33 13.354 -7.327 -10.808 236 HD3 PRO 33 2HD PRO 33 11.925 -7.345 -11.862 237 H MET 34 H MET 34 10.840 -12.036 -9.080 238 HA MET 34 HA MET 34 11.571 -13.367 -7.383 239 HB2 MET 34 1HB MET 34 14.231 -12.079 -8.020 240 HB3 MET 34 2HB MET 34 13.996 -13.586 -7.146 241 HG2 MET 34 1HG MET 34 12.698 -14.233 -9.362 242 HG3 MET 34 2HG MET 34 13.771 -13.012 -10.042 243 HE1 MET 34 1HE MET 34 17.299 -14.444 -9.455 244 HE2 MET 34 2HE MET 34 16.328 -13.297 -10.379 245 HE3 MET 34 3HE MET 34 16.422 -13.160 -8.622 246 H SER 35 H SER 35 10.470 -10.899 -6.575 247 HA SER 35 HA SER 35 11.920 -10.503 -4.048 248 HB2 SER 35 1HB SER 35 10.639 -8.314 -5.703 249 HB3 SER 35 2HB SER 35 11.367 -8.101 -4.111 250 HG SER 35 HG SER 35 12.672 -8.899 -6.501 251 H SER 36 H SER 36 10.567 -9.696 -2.293 252 HA SER 36 HA SER 36 7.809 -10.682 -2.556 253 HB2 SER 36 1HB SER 36 9.291 -11.789 -0.868 254 HB3 SER 36 2HB SER 36 9.395 -10.250 -0.015 255 HG SER 36 HG SER 36 6.918 -11.472 -0.617 256 H VAL 37 H VAL 37 6.074 -9.466 -1.848 257 HA VAL 37 HA VAL 37 6.662 -6.630 -1.298 258 HB VAL 37 HB VAL 37 4.221 -7.781 -2.657 259 HG11 VAL 37 1HG1 VAL 37 4.991 -5.014 -1.817 260 HG12 VAL 37 2HG1 VAL 37 3.925 -5.269 -3.201 261 HG13 VAL 37 3HG1 VAL 37 3.458 -5.859 -1.605 262 HG21 VAL 37 1HG2 VAL 37 6.498 -7.733 -3.888 263 HG22 VAL 37 2HG2 VAL 37 5.074 -7.085 -4.701 264 HG23 VAL 37 3HG2 VAL 37 6.238 -5.990 -3.955 265 H LYS 38 H LYS 38 6.093 -5.922 0.642 266 HA LYS 38 HA LYS 38 3.788 -7.141 1.992 267 HB2 LYS 38 1HB LYS 38 6.586 -6.873 3.017 268 HB3 LYS 38 2HB LYS 38 5.246 -6.741 4.148 269 HG2 LYS 38 1HG LYS 38 4.501 -8.982 2.947 270 HG3 LYS 38 2HG LYS 38 6.236 -9.090 2.637 271 HD2 LYS 38 1HD LYS 38 5.252 -8.458 5.389 272 HD3 LYS 38 2HD LYS 38 5.233 -10.126 4.811 273 HE2 LYS 38 1HE LYS 38 7.687 -9.709 4.167 274 HE3 LYS 38 2HE LYS 38 7.578 -8.298 5.219 275 HZ1 LYS 38 1HZ LYS 38 7.694 -9.568 7.025 276 HZ2 LYS 38 2HZ LYS 38 8.182 -10.828 6.007 277 HZ3 LYS 38 3HZ LYS 38 6.555 -10.677 6.445 278 H TRP 39 H TRP 39 2.546 -5.757 3.195 279 HA TRP 39 HA TRP 39 3.379 -2.929 3.201 280 HB2 TRP 39 1HB TRP 39 0.707 -4.177 2.614 281 HB3 TRP 39 2HB TRP 39 0.821 -2.513 3.181 282 HD1 TRP 39 HD TRP 39 1.723 -4.714 0.169 283 HE1 TRP 39 1HE TRP 39 2.141 -3.187 -1.860 284 HE3 TRP 39 3HE TRP 39 1.497 -0.174 2.510 285 HZ2 TRP 39 2HZ TRP 39 2.349 -0.423 -2.397 286 HZ3 TRP 39 3HZ TRP 39 1.817 1.862 1.166 287 HH2 TRP 39 HH TRP 39 2.235 1.738 -1.236 288 H LEU 40 H LEU 40 3.229 -1.825 5.078 289 HA LEU 40 HA LEU 40 2.287 -3.324 7.423 290 HB2 LEU 40 1HB LEU 40 4.672 -2.497 7.283 291 HB3 LEU 40 2HB LEU 40 4.020 -0.865 7.415 292 HG LEU 40 HG LEU 40 3.304 -2.844 9.521 293 HD11 LEU 40 1HD1 LEU 40 6.003 -1.556 9.201 294 HD12 LEU 40 2HD1 LEU 40 5.628 -3.265 9.422 295 HD13 LEU 40 3HD1 LEU 40 5.386 -2.131 10.751 296 HD21 LEU 40 1HD2 LEU 40 4.142 -0.024 9.974 297 HD22 LEU 40 2HD2 LEU 40 2.926 -0.991 10.809 298 HD23 LEU 40 3HD2 LEU 40 2.583 -0.331 9.208 299 H LEU 41 H LEU 41 0.941 -2.357 8.956 300 HA LEU 41 HA LEU 41 -0.598 -0.074 7.930 301 HB2 LEU 41 1HB LEU 41 -1.383 -2.043 10.070 302 HB3 LEU 41 2HB LEU 41 -2.415 -0.830 9.315 303 HG LEU 41 HG LEU 41 -3.040 -2.910 8.390 304 HD11 LEU 41 1HD1 LEU 41 -2.487 -0.901 6.831 305 HD12 LEU 41 2HD1 LEU 41 -2.849 -2.481 6.136 306 HD13 LEU 41 3HD1 LEU 41 -1.176 -1.939 6.270 307 HD21 LEU 41 1HD2 LEU 41 -0.886 -4.040 9.117 308 HD22 LEU 41 2HD2 LEU 41 -0.194 -3.468 7.599 309 HD23 LEU 41 3HD2 LEU 41 -1.575 -4.566 7.581 310 HA PRO 42 HA PRO 42 0.756 2.564 11.169 311 HB2 PRO 42 1HB PRO 42 -1.447 4.113 11.515 312 HB3 PRO 42 2HB PRO 42 -0.389 4.248 10.105 313 HG2 PRO 42 1HG PRO 42 -3.006 2.821 10.380 314 HG3 PRO 42 2HG PRO 42 -2.421 3.837 9.050 315 HD2 PRO 42 1HD PRO 42 -2.375 1.131 8.946 316 HD3 PRO 42 2HD PRO 42 -1.152 2.138 8.145 317 H ASN 43 H ASN 43 -1.407 0.135 11.661 318 HA ASN 43 HA ASN 43 -2.080 0.905 14.405 319 HB2 ASN 43 1HB ASN 43 -3.423 -1.283 14.298 320 HB3 ASN 43 2HB ASN 43 -3.984 0.059 13.305 321 HD21 ASN 43 1HD2 ASN 43 -2.038 -2.883 13.220 322 HD22 ASN 43 2HD2 ASN 43 -2.363 -3.263 11.566 323 H GLY 44 H GLY 44 -0.090 -1.286 12.571 324 HA2 GLY 44 1HA GLY 44 1.956 -1.998 13.782 325 HA3 GLY 44 2HA GLY 44 0.893 -2.434 15.112 326 H THR 45 H THR 45 1.004 -3.063 11.601 327 HA THR 45 HA THR 45 1.357 -5.877 11.989 328 HB THR 45 HB THR 45 -1.307 -5.018 10.850 329 HG1 THR 45 1HG THR 45 -0.611 -6.019 13.423 330 HG21 THR 45 1HG2 THR 45 0.053 -7.647 11.303 331 HG22 THR 45 2HG2 THR 45 -0.828 -7.072 9.886 332 HG23 THR 45 3HG2 THR 45 -1.707 -7.546 11.340 333 H VAL 46 H VAL 46 1.201 -7.066 9.859 334 HA VAL 46 HA VAL 46 1.566 -5.348 7.523 335 HB VAL 46 HB VAL 46 3.652 -7.226 8.605 336 HG11 VAL 46 1HG1 VAL 46 3.159 -6.394 5.774 337 HG12 VAL 46 2HG1 VAL 46 4.802 -6.696 6.344 338 HG13 VAL 46 3HG1 VAL 46 3.593 -7.979 6.414 339 HG21 VAL 46 1HG2 VAL 46 3.645 -4.780 9.192 340 HG22 VAL 46 2HG2 VAL 46 5.118 -5.364 8.419 341 HG23 VAL 46 3HG2 VAL 46 3.937 -4.445 7.486 342 H LEU 47 H LEU 47 1.039 -6.308 5.589 343 HA LEU 47 HA LEU 47 -0.063 -9.033 5.778 344 HB2 LEU 47 1HB LEU 47 -0.863 -6.739 3.995 345 HB3 LEU 47 2HB LEU 47 -1.517 -8.371 3.878 346 HG LEU 47 HG LEU 47 -1.824 -6.523 6.244 347 HD11 LEU 47 1HD1 LEU 47 -3.310 -5.573 4.831 348 HD12 LEU 47 2HD1 LEU 47 -4.313 -6.928 5.348 349 HD13 LEU 47 3HD1 LEU 47 -3.438 -7.012 3.819 350 HD21 LEU 47 1HD2 LEU 47 -2.386 -8.333 7.394 351 HD22 LEU 47 2HD2 LEU 47 -2.118 -9.354 5.980 352 HD23 LEU 47 3HD2 LEU 47 -3.701 -8.624 6.254 353 H SER 48 H SER 48 -0.111 -10.196 3.629 354 HA SER 48 HA SER 48 1.926 -9.479 1.718 355 HB2 SER 48 1HB SER 48 3.272 -10.526 3.504 356 HB3 SER 48 2HB SER 48 2.277 -11.978 3.394 357 HG SER 48 HG SER 48 3.727 -12.543 1.973 358 H HIS 49 H HIS 49 1.997 -10.966 -0.112 359 HA HIS 49 HA HIS 49 -0.317 -11.528 -1.318 360 HB2 HIS 49 1HB HIS 49 2.266 -13.068 -1.419 361 HB3 HIS 49 2HB HIS 49 0.896 -13.516 -2.432 362 HD1 HIS 49 1HD HIS 49 -0.018 -11.411 -3.971 363 HD2 HIS 49 2HD HIS 49 3.883 -11.222 -2.554 364 HE1 HIS 49 1HE HIS 49 1.145 -9.721 -5.426 365 HE2 HIS 49 2HE HIS 49 3.526 -9.687 -4.605 366 H ALA 50 H ALA 50 1.121 -13.458 1.219 367 HA ALA 50 HA ALA 50 -0.529 -15.739 0.950 368 HB1 ALA 50 1HB ALA 50 0.108 -15.905 3.512 369 HB2 ALA 50 2HB ALA 50 1.288 -16.222 2.240 370 HB3 ALA 50 3HB ALA 50 1.267 -14.657 3.053 371 H SER 51 H SER 51 -0.731 -12.935 3.140 372 HA SER 51 HA SER 51 -2.888 -13.493 4.652 373 HB2 SER 51 1HB SER 51 -2.084 -11.384 5.097 374 HB3 SER 51 2HB SER 51 -1.936 -10.964 3.390 375 HG SER 51 HG SER 51 -3.720 -9.999 4.770 376 H ARG 52 H ARG 52 -5.175 -12.974 4.505 377 HA ARG 52 HA ARG 52 -6.218 -13.256 1.763 378 HB2 ARG 52 1HB ARG 52 -6.407 -15.262 3.398 379 HB3 ARG 52 2HB ARG 52 -7.662 -14.308 4.177 380 HG2 ARG 52 1HG ARG 52 -9.118 -14.545 2.441 381 HG3 ARG 52 2HG ARG 52 -7.834 -14.703 1.241 382 HD2 ARG 52 1HD ARG 52 -7.357 -16.928 2.604 383 HD3 ARG 52 2HD ARG 52 -9.067 -16.757 2.997 384 HE ARG 52 HE ARG 52 -8.524 -16.502 0.194 385 HH11 ARG 52 2HH1 ARG 52 -9.090 -18.754 2.788 386 HH12 ARG 52 1HH1 ARG 52 -9.677 -20.008 1.746 387 HH21 ARG 52 2HH2 ARG 52 -9.295 -18.146 -1.188 388 HH22 ARG 52 1HH2 ARG 52 -9.792 -19.661 -0.515 389 H HIS 53 H HIS 53 -5.878 -11.088 4.097 390 HA HIS 53 HA HIS 53 -8.149 -10.001 4.981 391 HB2 HIS 53 1HB HIS 53 -5.699 -9.026 4.821 392 HB3 HIS 53 2HB HIS 53 -6.375 -8.134 3.461 393 HD1 HIS 53 1HD HIS 53 -8.616 -6.696 4.111 394 HD2 HIS 53 2HD HIS 53 -6.122 -7.850 7.227 395 HE1 HIS 53 1HE HIS 53 -9.215 -5.200 6.042 396 HE2 HIS 53 2HE HIS 53 -7.635 -5.859 7.888 397 HA PRO 54 HA PRO 54 -10.837 -9.549 1.489 398 HB2 PRO 54 1HB PRO 54 -12.780 -8.136 2.753 399 HB3 PRO 54 2HB PRO 54 -12.556 -9.875 2.977 400 HG2 PRO 54 1HG PRO 54 -11.656 -7.610 4.715 401 HG3 PRO 54 2HG PRO 54 -12.386 -9.156 5.182 402 HD2 PRO 54 1HD PRO 54 -9.723 -8.697 5.340 403 HD3 PRO 54 2HD PRO 54 -10.395 -10.301 4.983 404 H ARG 55 H ARG 55 -10.483 -6.677 3.584 405 HA ARG 55 HA ARG 55 -10.989 -4.835 1.480 406 HB2 ARG 55 1HB ARG 55 -9.935 -4.591 4.279 407 HB3 ARG 55 2HB ARG 55 -9.910 -3.205 3.197 408 HG2 ARG 55 1HG ARG 55 -12.333 -3.390 2.910 409 HG3 ARG 55 2HG ARG 55 -12.351 -4.767 4.014 410 HD2 ARG 55 1HD ARG 55 -11.978 -1.876 4.575 411 HD3 ARG 55 2HD ARG 55 -12.875 -3.097 5.478 412 HE ARG 55 HE ARG 55 -10.940 -3.649 6.622 413 HH11 ARG 55 2HH1 ARG 55 -10.245 -1.399 4.058 414 HH12 ARG 55 1HH1 ARG 55 -8.645 -1.049 4.622 415 HH21 ARG 55 2HH2 ARG 55 -8.836 -3.196 7.376 416 HH22 ARG 55 1HH2 ARG 55 -7.844 -2.072 6.509 417 H ILE 56 H ILE 56 -7.990 -5.195 3.375 418 HA ILE 56 HA ILE 56 -6.399 -3.943 1.379 419 HB ILE 56 HB ILE 56 -5.460 -5.672 3.670 420 HG12 ILE 56 1HG1 ILE 56 -5.498 -2.683 3.762 421 HG13 ILE 56 2HG1 ILE 56 -6.991 -3.559 4.082 422 HG21 ILE 56 1HG2 ILE 56 -3.515 -5.396 2.570 423 HG22 ILE 56 2HG2 ILE 56 -4.113 -4.020 1.645 424 HG23 ILE 56 3HG2 ILE 56 -3.553 -3.791 3.301 425 HD11 ILE 56 1HD1 ILE 56 -5.883 -4.776 5.886 426 HD12 ILE 56 2HD1 ILE 56 -4.397 -3.880 5.570 427 HD13 ILE 56 3HD1 ILE 56 -5.834 -3.032 6.140 428 H SER 57 H SER 57 -5.941 -4.832 -0.518 429 HA SER 57 HA SER 57 -5.287 -7.705 -0.596 430 HB2 SER 57 1HB SER 57 -7.476 -6.774 -1.766 431 HB3 SER 57 2HB SER 57 -6.335 -6.331 -3.034 432 HG SER 57 HG SER 57 -6.585 -8.332 -3.629 433 H VAL 58 H VAL 58 -3.267 -8.114 -1.173 434 HA VAL 58 HA VAL 58 -1.603 -6.007 -2.256 435 HB VAL 58 HB VAL 58 -0.931 -8.852 -1.493 436 HG11 VAL 58 1HG1 VAL 58 1.056 -6.654 -1.954 437 HG12 VAL 58 2HG1 VAL 58 1.325 -8.396 -1.878 438 HG13 VAL 58 3HG1 VAL 58 0.511 -7.688 -3.274 439 HG21 VAL 58 1HG2 VAL 58 -0.437 -6.235 -0.075 440 HG22 VAL 58 2HG2 VAL 58 -1.579 -7.488 0.413 441 HG23 VAL 58 3HG2 VAL 58 0.155 -7.811 0.451 442 H LEU 59 H LEU 59 -2.452 -5.747 -4.352 443 HA LEU 59 HA LEU 59 -3.052 -7.578 -6.260 444 HB2 LEU 59 1HB LEU 59 -1.509 -5.015 -6.615 445 HB3 LEU 59 2HB LEU 59 -2.219 -5.936 -7.939 446 HG LEU 59 HG LEU 59 -3.547 -4.244 -5.872 447 HD11 LEU 59 1HD1 LEU 59 -2.947 -3.754 -8.411 448 HD12 LEU 59 2HD1 LEU 59 -4.411 -3.130 -7.653 449 HD13 LEU 59 3HD1 LEU 59 -4.489 -4.572 -8.664 450 HD21 LEU 59 1HD2 LEU 59 -4.668 -6.721 -7.124 451 HD22 LEU 59 2HD2 LEU 59 -5.716 -5.354 -6.746 452 HD23 LEU 59 3HD2 LEU 59 -4.804 -6.148 -5.462 453 H ASN 60 H ASN 60 -1.953 -8.705 -7.886 454 HA ASN 60 HA ASN 60 0.218 -10.183 -7.263 455 HB2 ASN 60 1HB ASN 60 -0.922 -9.284 -9.864 456 HB3 ASN 60 2HB ASN 60 0.655 -10.068 -9.895 457 HD21 ASN 60 1HD2 ASN 60 0.680 -12.088 -8.386 458 HD22 ASN 60 2HD2 ASN 60 -0.638 -13.180 -8.630 459 H ASP 61 H ASP 61 0.387 -7.182 -9.182 460 HA ASP 61 HA ASP 61 3.163 -7.050 -9.391 461 HB2 ASP 61 1HB ASP 61 1.807 -5.626 -10.763 462 HB3 ASP 61 2HB ASP 61 1.083 -4.860 -9.352 463 H GLY 62 H GLY 62 1.024 -6.115 -6.782 464 HA2 GLY 62 1HA GLY 62 2.238 -6.306 -4.565 465 HA3 GLY 62 2HA GLY 62 3.365 -5.151 -5.261 466 H THR 63 H THR 63 0.693 -4.079 -6.573 467 HA THR 63 HA THR 63 0.429 -1.821 -4.961 468 HB THR 63 HB THR 63 -1.435 -3.023 -7.003 469 HG1 THR 63 1HG THR 63 0.207 -0.690 -7.014 470 HG21 THR 63 1HG2 THR 63 -3.046 -1.814 -5.964 471 HG22 THR 63 2HG2 THR 63 -2.286 -0.474 -6.822 472 HG23 THR 63 3HG2 THR 63 -1.884 -0.781 -5.133 473 H LEU 64 H LEU 64 -0.984 -1.209 -3.363 474 HA LEU 64 HA LEU 64 -2.378 -3.399 -2.010 475 HB2 LEU 64 1HB LEU 64 -0.675 -1.710 -0.944 476 HB3 LEU 64 2HB LEU 64 -2.093 -0.669 -0.847 477 HG LEU 64 HG LEU 64 -3.225 -2.306 0.551 478 HD11 LEU 64 1HD1 LEU 64 -2.647 -4.442 0.352 479 HD12 LEU 64 2HD1 LEU 64 -1.236 -4.071 1.343 480 HD13 LEU 64 3HD1 LEU 64 -1.114 -4.028 -0.416 481 HD21 LEU 64 1HD2 LEU 64 -2.186 -0.885 1.982 482 HD22 LEU 64 2HD2 LEU 64 -0.587 -1.185 1.299 483 HD23 LEU 64 3HD2 LEU 64 -1.309 -2.356 2.403 484 H ASN 65 H ASN 65 -4.367 -3.616 -2.880 485 HA ASN 65 HA ASN 65 -5.972 -1.244 -3.432 486 HB2 ASN 65 1HB ASN 65 -5.907 -3.040 -5.116 487 HB3 ASN 65 2HB ASN 65 -6.571 -4.167 -3.937 488 HD21 ASN 65 1HD2 ASN 65 -7.417 -2.658 -6.564 489 HD22 ASN 65 2HD2 ASN 65 -9.065 -2.259 -6.231 490 H PHE 66 H PHE 66 -7.727 -0.635 -2.282 491 HA PHE 66 HA PHE 66 -8.395 -2.257 0.085 492 HB2 PHE 66 1HB PHE 66 -8.429 0.734 -0.321 493 HB3 PHE 66 2HB PHE 66 -9.199 -0.053 1.053 494 HD1 PHE 66 1HD PHE 66 -5.914 0.098 -0.700 495 HD2 PHE 66 2HD PHE 66 -7.992 -0.332 2.990 496 HE1 PHE 66 1HE PHE 66 -3.770 0.119 0.505 497 HE2 PHE 66 2HE PHE 66 -5.850 -0.311 4.201 498 HZ PHE 66 HZ PHE 66 -3.736 -0.085 2.960 499 H SER 67 H SER 67 -10.225 -3.330 -0.252 500 HA SER 67 HA SER 67 -12.139 -2.862 -2.176 501 HB2 SER 67 1HB SER 67 -11.852 -4.894 -0.621 502 HB3 SER 67 2HB SER 67 -12.861 -4.003 0.518 503 HG SER 67 HG SER 67 -14.350 -3.820 -1.380 504 H HIS 68 H HIS 68 -11.899 -1.511 1.061 505 HA HIS 68 HA HIS 68 -13.478 0.744 0.390 506 HB2 HIS 68 1HB HIS 68 -15.382 0.356 1.883 507 HB3 HIS 68 2HB HIS 68 -15.317 -0.868 0.618 508 HD1 HIS 68 1HD HIS 68 -14.555 -3.278 1.357 509 HD2 HIS 68 2HD HIS 68 -15.182 -0.595 4.467 510 HE1 HIS 68 1HE HIS 68 -14.684 -4.682 3.440 511 HE2 HIS 68 2HE HIS 68 -15.149 -3.045 5.297 512 H VAL 69 H VAL 69 -12.105 2.126 1.335 513 HA VAL 69 HA VAL 69 -10.690 1.608 3.732 514 HB VAL 69 HB VAL 69 -10.091 4.003 3.679 515 HG11 VAL 69 1HG1 VAL 69 -8.513 3.444 2.219 516 HG12 VAL 69 2HG1 VAL 69 -9.467 2.024 1.789 517 HG13 VAL 69 3HG1 VAL 69 -9.661 3.525 0.883 518 HG21 VAL 69 1HG2 VAL 69 -12.415 4.605 2.706 519 HG22 VAL 69 2HG2 VAL 69 -11.008 5.542 2.205 520 HG23 VAL 69 3HG2 VAL 69 -11.658 4.292 1.144 521 H LEU 70 H LEU 70 -10.832 3.020 5.686 522 HA LEU 70 HA LEU 70 -13.528 3.964 6.296 523 HB2 LEU 70 1HB LEU 70 -12.099 2.140 8.204 524 HB3 LEU 70 2HB LEU 70 -13.779 2.670 8.245 525 HG LEU 70 HG LEU 70 -12.848 0.991 5.961 526 HD11 LEU 70 1HD1 LEU 70 -13.911 -0.422 8.327 527 HD12 LEU 70 2HD1 LEU 70 -12.230 0.104 8.406 528 HD13 LEU 70 3HD1 LEU 70 -12.761 -0.958 7.103 529 HD21 LEU 70 1HD2 LEU 70 -15.342 1.921 7.109 530 HD22 LEU 70 2HD2 LEU 70 -15.329 0.172 6.878 531 HD23 LEU 70 3HD2 LEU 70 -15.015 1.245 5.513 532 H LEU 71 H LEU 71 -13.618 5.233 8.296 533 HA LEU 71 HA LEU 71 -11.608 7.159 8.434 534 HB2 LEU 71 1HB LEU 71 -13.560 6.460 10.619 535 HB3 LEU 71 2HB LEU 71 -12.734 8.000 10.390 536 HG LEU 71 HG LEU 71 -14.720 6.879 8.422 537 HD11 LEU 71 1HD1 LEU 71 -16.154 7.215 10.155 538 HD12 LEU 71 2HD1 LEU 71 -16.083 8.862 9.529 539 HD13 LEU 71 3HD1 LEU 71 -15.115 8.410 10.932 540 HD21 LEU 71 1HD2 LEU 71 -14.719 9.043 7.469 541 HD22 LEU 71 2HD2 LEU 71 -13.025 8.602 7.690 542 HD23 LEU 71 3HD2 LEU 71 -13.801 9.716 8.816 543 H SER 72 H SER 72 -11.892 4.089 10.000 544 HA SER 72 HA SER 72 -9.948 4.667 12.052 545 HB2 SER 72 1HB SER 72 -11.212 2.064 11.160 546 HB3 SER 72 2HB SER 72 -10.133 2.227 12.546 547 HG SER 72 HG SER 72 -12.629 3.537 12.199 548 H ASP 73 H ASP 73 -9.889 3.679 8.787 549 HA ASP 73 HA ASP 73 -7.332 2.337 8.934 550 HB2 ASP 73 1HB ASP 73 -9.252 3.019 6.737 551 HB3 ASP 73 2HB ASP 73 -7.594 2.578 6.334 552 H THR 74 H THR 74 -8.426 5.537 8.725 553 HA THR 74 HA THR 74 -6.553 6.788 7.103 554 HB THR 74 HB THR 74 -7.794 7.838 9.654 555 HG1 THR 74 1HG THR 74 -9.512 8.019 8.446 556 HG21 THR 74 1HG2 THR 74 -5.673 8.969 8.507 557 HG22 THR 74 2HG2 THR 74 -6.988 9.924 9.191 558 HG23 THR 74 3HG2 THR 74 -6.922 9.632 7.454 559 H GLY 75 H GLY 75 -4.430 7.147 7.242 560 HA2 GLY 75 1HA GLY 75 -2.927 7.813 9.435 561 HA3 GLY 75 2HA GLY 75 -2.931 6.055 9.429 562 H VAL 76 H VAL 76 -0.940 5.500 8.790 563 HA VAL 76 HA VAL 76 -0.049 6.471 6.165 564 HB VAL 76 HB VAL 76 1.652 6.314 8.653 565 HG11 VAL 76 1HG1 VAL 76 2.465 6.660 5.773 566 HG12 VAL 76 2HG1 VAL 76 3.515 7.023 7.144 567 HG13 VAL 76 3HG1 VAL 76 2.947 5.374 6.878 568 HG21 VAL 76 1HG2 VAL 76 1.940 8.635 8.440 569 HG22 VAL 76 2HG2 VAL 76 1.301 8.650 6.796 570 HG23 VAL 76 3HG2 VAL 76 0.219 8.368 8.160 571 H TYR 77 H TYR 77 0.669 4.911 4.843 572 HA TYR 77 HA TYR 77 1.033 2.221 5.987 573 HB2 TYR 77 1HB TYR 77 0.120 3.047 3.225 574 HB3 TYR 77 2HB TYR 77 0.433 1.386 3.714 575 HD1 TYR 77 2HD TYR 77 -1.606 4.348 4.721 576 HD2 TYR 77 1HD TYR 77 -1.325 0.108 4.512 577 HE1 TYR 77 2HE TYR 77 -3.918 4.160 5.538 578 HE2 TYR 77 1HE TYR 77 -3.636 -0.092 5.327 579 HH TYR 77 HH TYR 77 -5.405 2.649 6.525 580 H THR 78 H THR 78 2.953 1.269 5.797 581 HA THR 78 HA THR 78 4.966 2.548 4.073 582 HB THR 78 HB THR 78 5.444 0.721 6.434 583 HG1 THR 78 1HG THR 78 5.893 2.608 7.569 584 HG21 THR 78 1HG2 THR 78 7.726 1.210 6.215 585 HG22 THR 78 2HG2 THR 78 7.422 2.577 5.143 586 HG23 THR 78 3HG2 THR 78 7.189 0.930 4.559 587 H CYS 79 H CYS 79 5.963 1.426 2.496 588 HA CYS 79 HA CYS 79 5.081 -1.337 2.064 589 HB2 CYS 79 1HB CYS 79 4.634 0.186 0.220 590 HB3 CYS 79 2HB CYS 79 6.327 0.662 0.168 591 HG CYS 79 HG CYS 79 6.596 -0.926 -1.861 592 H MET 80 H MET 80 6.517 -3.011 1.722 593 HA MET 80 HA MET 80 9.338 -2.414 2.335 594 HB2 MET 80 1HB MET 80 7.878 -4.968 3.017 595 HB3 MET 80 2HB MET 80 9.501 -4.506 3.513 596 HG2 MET 80 1HG MET 80 8.316 -2.503 4.647 597 HG3 MET 80 2HG MET 80 6.868 -3.495 4.488 598 HE1 MET 80 1HE MET 80 6.911 -4.258 7.893 599 HE2 MET 80 2HE MET 80 6.097 -3.944 6.360 600 HE3 MET 80 3HE MET 80 6.490 -5.599 6.828 601 H VAL 81 H VAL 81 10.901 -3.360 1.098 602 HA VAL 81 HA VAL 81 10.059 -5.254 -0.983 603 HB VAL 81 HB VAL 81 11.739 -2.790 -1.471 604 HG11 VAL 81 1HG1 VAL 81 11.667 -5.312 -2.828 605 HG12 VAL 81 2HG1 VAL 81 11.048 -4.045 -3.889 606 HG13 VAL 81 3HG1 VAL 81 12.652 -3.889 -3.170 607 HG21 VAL 81 1HG2 VAL 81 9.414 -2.219 -1.372 608 HG22 VAL 81 2HG2 VAL 81 9.905 -2.229 -3.066 609 HG23 VAL 81 3HG2 VAL 81 8.984 -3.581 -2.406 610 H THR 82 H THR 82 11.197 -7.033 -0.597 611 HA THR 82 HA THR 82 14.004 -6.762 0.252 612 HB THR 82 HB THR 82 12.285 -9.226 0.548 613 HG1 THR 82 1HG THR 82 11.320 -7.871 1.939 614 HG21 THR 82 1HG2 THR 82 14.002 -9.789 2.269 615 HG22 THR 82 2HG2 THR 82 14.920 -8.376 1.749 616 HG23 THR 82 3HG2 THR 82 14.640 -9.708 0.628 617 H ASN 83 H ASN 83 15.463 -7.159 -1.266 618 HA ASN 83 HA ASN 83 14.966 -9.308 -3.196 619 HB2 ASN 83 1HB ASN 83 14.409 -7.499 -4.563 620 HB3 ASN 83 2HB ASN 83 15.610 -6.444 -3.823 621 HD21 ASN 83 1HD2 ASN 83 15.416 -9.481 -5.645 622 HD22 ASN 83 2HD2 ASN 83 16.797 -9.172 -6.636 623 H VAL 84 H VAL 84 16.809 -10.361 -3.947 624 HA VAL 84 HA VAL 84 18.917 -10.728 -2.239 625 HB VAL 84 HB VAL 84 18.466 -12.258 -4.076 626 HG11 VAL 84 1HG1 VAL 84 18.678 -11.765 -6.315 627 HG12 VAL 84 2HG1 VAL 84 18.073 -10.233 -5.681 628 HG13 VAL 84 3HG1 VAL 84 19.792 -10.429 -6.026 629 HG21 VAL 84 1HG2 VAL 84 21.238 -11.074 -4.193 630 HG22 VAL 84 2HG2 VAL 84 20.679 -12.325 -3.082 631 HG23 VAL 84 3HG2 VAL 84 20.783 -12.662 -4.810 632 H ALA 85 H ALA 85 18.718 -8.456 -4.945 633 HA ALA 85 HA ALA 85 21.379 -7.536 -4.825 634 HB1 ALA 85 1HB ALA 85 20.792 -6.129 -6.489 635 HB2 ALA 85 2HB ALA 85 19.353 -7.148 -6.546 636 HB3 ALA 85 3HB ALA 85 19.312 -5.613 -5.679 637 H GLY 86 H GLY 86 18.382 -6.145 -3.477 638 HA2 GLY 86 1HA GLY 86 19.694 -5.240 -1.119 639 HA3 GLY 86 2HA GLY 86 19.463 -3.913 -2.247 640 H ASN 87 H ASN 87 18.298 -3.937 0.278 641 HA ASN 87 HA ASN 87 15.471 -4.535 -0.255 642 HB2 ASN 87 1HB ASN 87 15.136 -4.424 2.156 643 HB3 ASN 87 2HB ASN 87 16.443 -5.544 1.783 644 HD21 ASN 87 1HD2 ASN 87 15.906 -4.158 4.256 645 HD22 ASN 87 2HD2 ASN 87 17.302 -3.200 4.599 646 H SER 88 H SER 88 13.863 -2.971 0.450 647 HA SER 88 HA SER 88 14.657 -0.266 0.996 648 HB2 SER 88 1HB SER 88 13.582 0.675 -1.067 649 HB3 SER 88 2HB SER 88 15.071 -0.218 -1.380 650 HG SER 88 HG SER 88 13.900 -1.331 -2.714 651 H ASN 89 H ASN 89 12.705 1.204 1.039 652 HA ASN 89 HA ASN 89 10.143 -0.123 1.310 653 HB2 ASN 89 1HB ASN 89 9.806 0.709 3.634 654 HB3 ASN 89 2HB ASN 89 11.060 -0.522 3.514 655 HD21 ASN 89 1HD2 ASN 89 11.753 0.331 5.574 656 HD22 ASN 89 2HD2 ASN 89 12.775 1.724 5.615 657 H ALA 90 H ALA 90 8.405 1.480 1.892 658 HA ALA 90 HA ALA 90 9.073 4.246 1.229 659 HB1 ALA 90 1HB ALA 90 7.926 4.381 -0.705 660 HB2 ALA 90 2HB ALA 90 8.239 2.646 -0.777 661 HB3 ALA 90 3HB ALA 90 6.690 3.238 -0.176 662 H SER 91 H SER 91 6.994 5.628 1.378 663 HA SER 91 HA SER 91 5.151 4.600 3.407 664 HB2 SER 91 1HB SER 91 6.577 7.253 3.696 665 HB3 SER 91 2HB SER 91 5.434 6.538 4.833 666 HG SER 91 HG SER 91 7.172 4.706 4.629 667 H ALA 92 H ALA 92 3.240 5.978 3.690 668 HA ALA 92 HA ALA 92 2.666 8.099 1.890 669 HB1 ALA 92 1HB ALA 92 2.639 6.043 0.390 670 HB2 ALA 92 2HB ALA 92 1.171 5.574 1.248 671 HB3 ALA 92 3HB ALA 92 1.218 7.087 0.343 672 H TYR 93 H TYR 93 0.666 9.078 2.304 673 HA TYR 93 HA TYR 93 -0.634 8.125 4.761 674 HB2 TYR 93 1HB TYR 93 0.410 10.428 4.705 675 HB3 TYR 93 2HB TYR 93 -0.835 10.883 3.547 676 HD1 TYR 93 1HD TYR 93 -0.139 10.039 7.042 677 HD2 TYR 93 2HD TYR 93 -3.148 11.147 4.245 678 HE1 TYR 93 1HE TYR 93 -1.660 10.571 8.899 679 HE2 TYR 93 2HE TYR 93 -4.678 11.683 6.095 680 HH TYR 93 HH TYR 93 -4.744 12.124 8.361 681 H LEU 94 H LEU 94 -2.873 7.990 4.913 682 HA LEU 94 HA LEU 94 -4.359 8.228 2.384 683 HB2 LEU 94 1HB LEU 94 -3.980 5.902 2.688 684 HB3 LEU 94 2HB LEU 94 -4.421 5.989 4.392 685 HG LEU 94 HG LEU 94 -6.759 6.673 3.486 686 HD11 LEU 94 1HD1 LEU 94 -7.065 6.662 1.293 687 HD12 LEU 94 2HD1 LEU 94 -6.545 4.979 1.211 688 HD13 LEU 94 3HD1 LEU 94 -5.360 6.276 1.060 689 HD21 LEU 94 1HD2 LEU 94 -5.939 3.825 3.009 690 HD22 LEU 94 2HD2 LEU 94 -7.463 4.446 3.645 691 HD23 LEU 94 3HD2 LEU 94 -6.001 4.517 4.630 692 H ASN 95 H ASN 95 -5.789 9.809 2.638 693 HA ASN 95 HA ASN 95 -6.940 10.321 5.273 694 HB2 ASN 95 1HB ASN 95 -6.044 12.246 4.076 695 HB3 ASN 95 2HB ASN 95 -7.087 11.904 2.699 696 HD21 ASN 95 1HD2 ASN 95 -7.826 14.092 2.996 697 HD22 ASN 95 2HD2 ASN 95 -9.049 14.427 4.169 698 H VAL 96 H VAL 96 -8.887 9.608 5.815 699 HA VAL 96 HA VAL 96 -10.755 8.852 3.662 700 HB VAL 96 HB VAL 96 -10.619 7.653 6.431 701 HG11 VAL 96 1HG1 VAL 96 -12.601 6.769 5.974 702 HG12 VAL 96 2HG1 VAL 96 -12.634 7.632 4.435 703 HG13 VAL 96 3HG1 VAL 96 -11.940 6.013 4.525 704 HG21 VAL 96 1HG2 VAL 96 -9.586 6.614 3.796 705 HG22 VAL 96 2HG2 VAL 96 -8.641 7.007 5.232 706 HG23 VAL 96 3HG2 VAL 96 -9.751 5.637 5.255 707 H SER 97 H SER 97 -12.489 10.100 3.535 708 HA SER 97 HA SER 97 -13.302 11.654 5.887 709 HB2 SER 97 1HB SER 97 -12.808 12.770 3.642 710 HB3 SER 97 2HB SER 97 -14.301 12.031 3.063 711 HG SER 97 HG SER 97 -15.448 13.357 4.273 712 H SER 98 H SER 98 -15.516 11.801 6.483 713 HA SER 98 HA SER 98 -16.982 9.327 5.951 714 HB2 SER 98 1HB SER 98 -16.472 10.406 8.312 715 HB3 SER 98 2HB SER 98 -17.913 11.353 7.944 716 HG SER 98 HG SER 98 -18.718 9.589 8.901 717 H GLY 99 H GLY 99 -16.843 11.541 4.012 718 HA2 GLY 99 1HA GLY 99 -18.959 13.230 3.838 719 HA3 GLY 99 2HA GLY 99 -18.329 12.362 2.445 720 HA PRO 100 HA PRO 100 -22.763 11.066 3.653 721 HB2 PRO 100 1HB PRO 100 -24.139 12.482 1.790 722 HB3 PRO 100 2HB PRO 100 -23.797 13.103 3.410 723 HG2 PRO 100 1HG PRO 100 -22.384 13.659 0.830 724 HG3 PRO 100 2HG PRO 100 -22.842 14.786 2.120 725 HD2 PRO 100 1HD PRO 100 -20.325 13.824 1.853 726 HD3 PRO 100 2HD PRO 100 -21.034 14.217 3.432 727 H SER 101 H SER 101 -24.271 9.891 2.210 728 HA SER 101 HA SER 101 -23.010 9.024 -0.302 729 HB2 SER 101 1HB SER 101 -23.403 6.726 0.175 730 HB3 SER 101 2HB SER 101 -22.659 7.396 1.627 731 HG SER 101 HG SER 101 -24.346 6.491 2.531 732 H SER 102 H SER 102 -24.686 7.516 -1.499 733 HA SER 102 HA SER 102 -27.284 8.907 -1.428 734 HB2 SER 102 1HB SER 102 -25.882 9.373 -3.453 735 HB3 SER 102 2HB SER 102 -25.971 7.657 -3.851 736 HG SER 102 HG SER 102 -28.023 7.871 -4.404 737 H GLY 103 H GLY 103 -25.659 5.827 -2.086 738 HA2 GLY 103 1HA GLY 103 -28.074 4.336 -2.386 739 HA3 GLY 103 2HA GLY 103 -26.465 3.671 -2.152 Start of MODEL 13 1 H1 GLY 1 H GLY 1 16.659 10.990 2.386 2 HA2 GLY 1 1HA GLY 1 16.192 8.634 4.044 3 HA3 GLY 1 2HA GLY 1 14.987 9.813 3.547 4 H SER 2 H SER 2 17.270 7.957 1.566 5 HA SER 2 HA SER 2 15.127 6.295 0.532 6 HB2 SER 2 1HB SER 2 15.557 6.939 -1.819 7 HB3 SER 2 2HB SER 2 14.930 8.286 -0.870 8 HG SER 2 HG SER 2 16.617 9.227 -1.763 9 H SER 3 H SER 3 15.925 4.313 0.443 10 HA SER 3 HA SER 3 18.774 3.859 0.433 11 HB2 SER 3 1HB SER 3 18.162 1.477 0.661 12 HB3 SER 3 2HB SER 3 17.325 2.479 1.847 13 HG SER 3 HG SER 3 16.050 2.012 -0.589 14 H GLY 4 H GLY 4 19.816 2.359 -1.066 15 HA2 GLY 4 1HA GLY 4 20.212 1.443 -3.157 16 HA3 GLY 4 2HA GLY 4 18.550 1.811 -3.595 17 H SER 5 H SER 5 21.701 2.519 -4.256 18 HA SER 5 HA SER 5 21.834 5.259 -4.612 19 HB2 SER 5 1HB SER 5 23.123 2.939 -6.002 20 HB3 SER 5 2HB SER 5 23.360 4.567 -6.637 21 HG SER 5 HG SER 5 24.218 5.173 -4.643 22 H SER 6 H SER 6 21.283 6.676 -6.235 23 HA SER 6 HA SER 6 19.868 7.565 -7.790 24 HB2 SER 6 1HB SER 6 21.009 5.126 -9.109 25 HB3 SER 6 2HB SER 6 19.794 6.084 -9.955 26 HG SER 6 HG SER 6 21.144 7.816 -9.945 27 H GLY 7 H GLY 7 18.508 6.201 -5.774 28 HA2 GLY 7 1HA GLY 7 16.162 5.918 -5.567 29 HA3 GLY 7 2HA GLY 7 16.101 5.415 -7.249 30 HA PRO 8 HA PRO 8 16.522 1.794 -4.092 31 HB2 PRO 8 1HB PRO 8 13.926 1.334 -3.443 32 HB3 PRO 8 2HB PRO 8 14.981 2.388 -2.494 33 HG2 PRO 8 1HG PRO 8 12.933 3.115 -4.552 34 HG3 PRO 8 2HG PRO 8 13.259 3.871 -2.982 35 HD2 PRO 8 1HD PRO 8 14.158 4.911 -5.314 36 HD3 PRO 8 2HD PRO 8 15.054 5.069 -3.790 37 H PHE 9 H PHE 9 14.875 -0.281 -4.248 38 HA PHE 9 HA PHE 9 15.089 -1.100 -6.977 39 HB2 PHE 9 1HB PHE 9 13.987 -2.424 -4.502 40 HB3 PHE 9 2HB PHE 9 13.931 -3.196 -6.083 41 HD1 PHE 9 2HD PHE 9 16.410 -1.449 -3.905 42 HD2 PHE 9 1HD PHE 9 15.616 -4.661 -6.584 43 HE1 PHE 9 2HE PHE 9 18.698 -2.289 -3.572 44 HE2 PHE 9 1HE PHE 9 17.903 -5.506 -6.253 45 HZ PHE 9 HZ PHE 9 19.448 -4.319 -4.747 46 H ILE 10 H ILE 10 12.489 -0.026 -4.893 47 HA ILE 10 HA ILE 10 10.298 -0.854 -6.427 48 HB ILE 10 HB ILE 10 10.564 1.577 -4.655 49 HG12 ILE 10 1HG1 ILE 10 9.072 -0.907 -3.923 50 HG13 ILE 10 2HG1 ILE 10 10.829 -0.918 -3.815 51 HG21 ILE 10 1HG2 ILE 10 7.928 0.898 -4.624 52 HG22 ILE 10 2HG2 ILE 10 8.628 2.182 -5.609 53 HG23 ILE 10 3HG2 ILE 10 8.358 0.584 -6.305 54 HD11 ILE 10 1HD1 ILE 10 9.248 -0.210 -1.795 55 HD12 ILE 10 2HD1 ILE 10 10.860 0.465 -2.034 56 HD13 ILE 10 3HD1 ILE 10 9.440 1.365 -2.565 57 H MET 11 H MET 11 10.187 -0.467 -8.556 58 HA MET 11 HA MET 11 11.300 1.641 -9.961 59 HB2 MET 11 1HB MET 11 8.793 0.088 -10.627 60 HB3 MET 11 2HB MET 11 9.703 1.077 -11.761 61 HG2 MET 11 1HG MET 11 11.686 -0.476 -11.028 62 HG3 MET 11 2HG MET 11 10.375 -1.566 -10.582 63 HE1 MET 11 1HE MET 11 12.820 -1.677 -12.611 64 HE2 MET 11 2HE MET 11 11.902 -3.172 -12.789 65 HE3 MET 11 3HE MET 11 12.281 -2.195 -14.209 66 H ASP 12 H ASP 12 8.094 1.390 -8.489 67 HA ASP 12 HA ASP 12 7.814 4.302 -8.805 68 HB2 ASP 12 1HB ASP 12 6.336 2.697 -10.311 69 HB3 ASP 12 2HB ASP 12 5.368 2.589 -8.843 70 H ALA 13 H ALA 13 7.653 5.277 -6.908 71 HA ALA 13 HA ALA 13 6.983 3.722 -4.537 72 HB1 ALA 13 1HB ALA 13 8.269 6.375 -5.013 73 HB2 ALA 13 2HB ALA 13 7.579 6.004 -3.432 74 HB3 ALA 13 3HB ALA 13 8.859 4.988 -4.096 75 HA PRO 14 HA PRO 14 2.840 5.189 -4.267 76 HB2 PRO 14 1HB PRO 14 2.442 4.857 -1.602 77 HB3 PRO 14 2HB PRO 14 2.504 3.506 -2.740 78 HG2 PRO 14 1HG PRO 14 4.640 4.550 -0.922 79 HG3 PRO 14 2HG PRO 14 4.186 2.871 -1.265 80 HD2 PRO 14 1HD PRO 14 6.323 4.067 -2.420 81 HD3 PRO 14 2HD PRO 14 5.360 2.826 -3.248 82 H ARG 15 H ARG 15 1.591 6.939 -3.502 83 HA ARG 15 HA ARG 15 3.022 8.993 -1.968 84 HB2 ARG 15 1HB ARG 15 3.120 9.417 -4.470 85 HB3 ARG 15 2HB ARG 15 1.377 9.641 -4.412 86 HG2 ARG 15 1HG ARG 15 1.886 11.395 -2.593 87 HG3 ARG 15 2HG ARG 15 3.534 11.335 -3.223 88 HD2 ARG 15 1HD ARG 15 1.293 11.650 -5.153 89 HD3 ARG 15 2HD ARG 15 1.742 13.038 -4.163 90 HE ARG 15 HE ARG 15 3.170 12.008 -6.391 91 HH11 ARG 15 2HH1 ARG 15 3.602 13.502 -3.276 92 HH12 ARG 15 1HH1 ARG 15 5.127 14.214 -3.684 93 HH21 ARG 15 2HH2 ARG 15 5.177 12.942 -6.940 94 HH22 ARG 15 1HH2 ARG 15 6.022 13.896 -5.769 95 H ASP 16 H ASP 16 1.729 10.342 -0.717 96 HA ASP 16 HA ASP 16 -0.417 9.374 0.588 97 HB2 ASP 16 1HB ASP 16 -0.329 12.299 -0.129 98 HB3 ASP 16 2HB ASP 16 -0.888 11.555 1.367 99 H LEU 17 H LEU 17 -2.517 8.990 0.237 100 HA LEU 17 HA LEU 17 -3.740 10.096 -2.204 101 HB2 LEU 17 1HB LEU 17 -3.295 7.808 -2.658 102 HB3 LEU 17 2HB LEU 17 -3.915 7.310 -1.086 103 HG LEU 17 HG LEU 17 -6.187 8.098 -1.877 104 HD11 LEU 17 1HD1 LEU 17 -6.455 9.028 -3.874 105 HD12 LEU 17 2HD1 LEU 17 -5.573 7.724 -4.668 106 HD13 LEU 17 3HD1 LEU 17 -4.697 9.103 -4.006 107 HD21 LEU 17 1HD2 LEU 17 -6.675 5.997 -2.579 108 HD22 LEU 17 2HD2 LEU 17 -5.043 5.691 -1.984 109 HD23 LEU 17 3HD2 LEU 17 -5.321 5.938 -3.709 110 H ASN 18 H ASN 18 -5.787 10.873 -2.035 111 HA ASN 18 HA ASN 18 -6.995 10.802 0.649 112 HB2 ASN 18 1HB ASN 18 -8.097 12.931 0.033 113 HB3 ASN 18 2HB ASN 18 -6.341 13.051 -0.018 114 HD21 ASN 18 1HD2 ASN 18 -9.196 13.576 -1.680 115 HD22 ASN 18 2HD2 ASN 18 -8.533 13.884 -3.245 116 H ILE 19 H ILE 19 -8.585 9.355 0.720 117 HA ILE 19 HA ILE 19 -10.568 9.368 -1.451 118 HB ILE 19 HB ILE 19 -9.214 7.381 -1.774 119 HG12 ILE 19 1HG1 ILE 19 -11.739 6.396 -0.476 120 HG13 ILE 19 2HG1 ILE 19 -11.806 7.385 -1.930 121 HG21 ILE 19 1HG2 ILE 19 -8.752 7.386 0.858 122 HG22 ILE 19 2HG2 ILE 19 -10.015 6.157 0.796 123 HG23 ILE 19 3HG2 ILE 19 -8.540 5.953 -0.149 124 HD11 ILE 19 1HD1 ILE 19 -11.606 5.508 -3.083 125 HD12 ILE 19 2HD1 ILE 19 -9.940 5.417 -2.511 126 HD13 ILE 19 3HD1 ILE 19 -11.221 4.581 -1.633 127 H SER 20 H SER 20 -12.699 8.717 -0.834 128 HA SER 20 HA SER 20 -13.346 9.517 1.870 129 HB2 SER 20 1HB SER 20 -15.187 8.646 -0.370 130 HB3 SER 20 2HB SER 20 -15.669 9.445 1.126 131 HG SER 20 HG SER 20 -14.730 11.301 0.451 132 H GLU 21 H GLU 21 -15.097 8.228 3.031 133 HA GLU 21 HA GLU 21 -14.086 5.594 3.494 134 HB2 GLU 21 1HB GLU 21 -14.883 6.780 5.393 135 HB3 GLU 21 2HB GLU 21 -16.419 7.136 4.616 136 HG2 GLU 21 1HG GLU 21 -16.731 4.573 4.587 137 HG3 GLU 21 2HG GLU 21 -15.460 4.572 5.809 138 H GLY 22 H GLY 22 -14.799 3.683 2.754 139 HA2 GLY 22 1HA GLY 22 -16.275 2.122 1.856 140 HA3 GLY 22 2HA GLY 22 -17.478 3.392 1.690 141 H ARG 23 H ARG 23 -14.188 3.501 0.435 142 HA ARG 23 HA ARG 23 -15.253 3.219 -2.290 143 HB2 ARG 23 1HB ARG 23 -13.332 5.351 -1.338 144 HB3 ARG 23 2HB ARG 23 -13.752 5.056 -3.020 145 HG2 ARG 23 1HG ARG 23 -16.202 5.399 -2.106 146 HG3 ARG 23 2HG ARG 23 -15.350 6.302 -0.852 147 HD2 ARG 23 1HD ARG 23 -14.495 7.846 -2.379 148 HD3 ARG 23 2HD ARG 23 -14.793 6.786 -3.756 149 HE ARG 23 HE ARG 23 -16.611 8.659 -2.615 150 HH11 ARG 23 2HH1 ARG 23 -16.416 5.578 -4.225 151 HH12 ARG 23 1HH1 ARG 23 -18.012 5.679 -4.892 152 HH21 ARG 23 2HH2 ARG 23 -18.713 8.803 -3.488 153 HH22 ARG 23 1HH2 ARG 23 -19.317 7.514 -4.473 154 H MET 24 H MET 24 -13.461 2.896 -3.912 155 HA MET 24 HA MET 24 -11.611 0.920 -2.840 156 HB2 MET 24 1HB MET 24 -13.133 0.763 -5.002 157 HB3 MET 24 2HB MET 24 -11.758 1.565 -5.750 158 HG2 MET 24 1HG MET 24 -10.343 -0.228 -5.379 159 HG3 MET 24 2HG MET 24 -11.358 -0.891 -4.100 160 HE1 MET 24 1HE MET 24 -10.686 -3.298 -6.762 161 HE2 MET 24 2HE MET 24 -10.704 -2.929 -5.038 162 HE3 MET 24 3HE MET 24 -12.044 -3.818 -5.764 163 H ALA 25 H ALA 25 -9.534 1.323 -2.477 164 HA ALA 25 HA ALA 25 -8.309 3.660 -3.794 165 HB1 ALA 25 1HB ALA 25 -7.108 4.186 -1.839 166 HB2 ALA 25 2HB ALA 25 -8.759 3.866 -1.306 167 HB3 ALA 25 3HB ALA 25 -7.508 2.643 -1.082 168 H GLU 26 H GLU 26 -5.831 3.507 -3.714 169 HA GLU 26 HA GLU 26 -4.712 0.856 -3.751 170 HB2 GLU 26 1HB GLU 26 -5.083 2.396 -6.321 171 HB3 GLU 26 2HB GLU 26 -3.937 1.075 -6.146 172 HG2 GLU 26 1HG GLU 26 -5.882 -0.366 -5.450 173 HG3 GLU 26 2HG GLU 26 -6.931 0.955 -5.961 174 H LEU 27 H LEU 27 -2.499 0.865 -3.580 175 HA LEU 27 HA LEU 27 -1.263 3.520 -3.326 176 HB2 LEU 27 1HB LEU 27 -0.832 0.907 -1.954 177 HB3 LEU 27 2HB LEU 27 0.509 2.044 -2.076 178 HG LEU 27 HG LEU 27 -2.081 3.021 -0.977 179 HD11 LEU 27 1HD1 LEU 27 -0.196 1.142 0.405 180 HD12 LEU 27 2HD1 LEU 27 -1.955 1.077 0.312 181 HD13 LEU 27 3HD1 LEU 27 -1.170 2.306 1.303 182 HD21 LEU 27 1HD2 LEU 27 0.833 3.642 -0.683 183 HD22 LEU 27 2HD2 LEU 27 -0.329 4.176 0.531 184 HD23 LEU 27 3HD2 LEU 27 -0.495 4.707 -1.143 185 H LYS 28 H LYS 28 -0.168 4.065 -5.093 186 HA LYS 28 HA LYS 28 0.737 2.373 -7.096 187 HB2 LYS 28 1HB LYS 28 1.726 5.101 -6.260 188 HB3 LYS 28 2HB LYS 28 2.253 4.287 -7.727 189 HG2 LYS 28 1HG LYS 28 -0.661 4.679 -7.238 190 HG3 LYS 28 2HG LYS 28 0.321 6.032 -7.804 191 HD2 LYS 28 1HD LYS 28 0.265 3.343 -9.161 192 HD3 LYS 28 2HD LYS 28 -0.801 4.678 -9.607 193 HE2 LYS 28 1HE LYS 28 1.384 6.041 -9.817 194 HE3 LYS 28 2HE LYS 28 2.178 4.468 -9.865 195 HZ1 LYS 28 1HZ LYS 28 1.623 4.259 -11.983 196 HZ2 LYS 28 2HZ LYS 28 0.959 5.814 -11.963 197 HZ3 LYS 28 3HZ LYS 28 -0.018 4.474 -11.632 198 H CYS 29 H CYS 29 2.095 0.724 -6.834 199 HA CYS 29 HA CYS 29 4.754 1.231 -5.809 200 HB2 CYS 29 1HB CYS 29 3.872 0.619 -3.729 201 HB3 CYS 29 2HB CYS 29 2.798 -0.584 -4.432 202 HG CYS 29 HG CYS 29 6.077 -1.200 -4.830 203 H ARG 30 H ARG 30 6.195 0.190 -7.021 204 HA ARG 30 HA ARG 30 5.330 -2.228 -8.462 205 HB2 ARG 30 1HB ARG 30 6.680 0.230 -9.494 206 HB3 ARG 30 2HB ARG 30 7.071 -1.320 -10.226 207 HG2 ARG 30 1HG ARG 30 5.370 -0.577 -11.576 208 HG3 ARG 30 2HG ARG 30 4.491 -1.578 -10.418 209 HD2 ARG 30 1HD ARG 30 3.993 0.462 -9.104 210 HD3 ARG 30 2HD ARG 30 4.778 1.423 -10.357 211 HE ARG 30 HE ARG 30 2.173 0.170 -10.492 212 HH11 ARG 30 2HH1 ARG 30 4.796 1.646 -12.243 213 HH12 ARG 30 1HH1 ARG 30 3.822 2.052 -13.618 214 HH21 ARG 30 2HH2 ARG 30 0.881 0.699 -12.296 215 HH22 ARG 30 1HH2 ARG 30 1.596 1.513 -13.647 216 H THR 31 H THR 31 6.568 -3.938 -8.083 217 HA THR 31 HA THR 31 9.342 -3.498 -7.187 218 HB THR 31 HB THR 31 9.089 -5.635 -5.872 219 HG1 THR 31 1HG THR 31 7.213 -6.462 -6.818 220 HG21 THR 31 1HG2 THR 31 9.000 -3.380 -4.840 221 HG22 THR 31 2HG2 THR 31 8.024 -4.570 -3.979 222 HG23 THR 31 3HG2 THR 31 7.248 -3.392 -5.037 223 HA PRO 32 HA PRO 32 10.614 -6.126 -10.476 224 HB2 PRO 32 1HB PRO 32 12.926 -7.096 -9.435 225 HB3 PRO 32 2HB PRO 32 12.755 -5.435 -10.014 226 HG2 PRO 32 1HG PRO 32 12.632 -6.487 -7.214 227 HG3 PRO 32 2HG PRO 32 13.442 -5.034 -7.829 228 HD2 PRO 32 1HD PRO 32 11.043 -4.945 -6.575 229 HD3 PRO 32 2HD PRO 32 11.490 -3.808 -7.863 230 HA PRO 33 HA PRO 33 9.527 -10.327 -9.767 231 HB2 PRO 33 1HB PRO 33 11.316 -11.699 -11.280 232 HB3 PRO 33 2HB PRO 33 10.001 -10.745 -11.976 233 HG2 PRO 33 1HG PRO 33 12.885 -10.025 -11.630 234 HG3 PRO 33 2HG PRO 33 11.822 -9.748 -13.022 235 HD2 PRO 33 1HD PRO 33 12.409 -7.806 -11.228 236 HD3 PRO 33 2HD PRO 33 10.847 -7.890 -12.067 237 H MET 34 H MET 34 10.026 -12.201 -8.604 238 HA MET 34 HA MET 34 11.051 -13.478 -7.026 239 HB2 MET 34 1HB MET 34 13.587 -12.255 -8.128 240 HB3 MET 34 2HB MET 34 13.501 -13.663 -7.078 241 HG2 MET 34 1HG MET 34 11.941 -14.570 -8.995 242 HG3 MET 34 2HG MET 34 12.832 -13.394 -9.957 243 HE1 MET 34 1HE MET 34 13.830 -16.093 -7.064 244 HE2 MET 34 2HE MET 34 12.684 -16.704 -8.257 245 HE3 MET 34 3HE MET 34 14.333 -17.329 -8.217 246 H SER 35 H SER 35 10.059 -10.931 -6.293 247 HA SER 35 HA SER 35 11.874 -10.284 -4.064 248 HB2 SER 35 1HB SER 35 11.382 -7.973 -4.242 249 HB3 SER 35 2HB SER 35 11.689 -8.504 -5.896 250 HG SER 35 HG SER 35 9.567 -8.375 -6.350 251 H SER 36 H SER 36 10.851 -9.576 -2.110 252 HA SER 36 HA SER 36 8.228 -10.817 -1.745 253 HB2 SER 36 1HB SER 36 9.982 -11.527 -0.204 254 HB3 SER 36 2HB SER 36 10.266 -9.855 0.279 255 HG SER 36 HG SER 36 8.412 -11.603 1.176 256 H VAL 37 H VAL 37 6.457 -9.619 -1.694 257 HA VAL 37 HA VAL 37 6.701 -6.730 -1.259 258 HB VAL 37 HB VAL 37 4.384 -8.325 -2.363 259 HG11 VAL 37 1HG1 VAL 37 4.794 -5.364 -2.002 260 HG12 VAL 37 2HG1 VAL 37 3.559 -6.055 -3.055 261 HG13 VAL 37 3HG1 VAL 37 3.517 -6.370 -1.320 262 HG21 VAL 37 1HG2 VAL 37 5.701 -8.385 -4.182 263 HG22 VAL 37 2HG2 VAL 37 5.235 -6.693 -4.366 264 HG23 VAL 37 3HG2 VAL 37 6.760 -7.108 -3.582 265 H LYS 38 H LYS 38 6.025 -5.812 0.562 266 HA LYS 38 HA LYS 38 3.966 -7.129 2.173 267 HB2 LYS 38 1HB LYS 38 6.768 -6.523 3.018 268 HB3 LYS 38 2HB LYS 38 5.476 -6.356 4.199 269 HG2 LYS 38 1HG LYS 38 4.823 -8.751 3.434 270 HG3 LYS 38 2HG LYS 38 6.479 -8.807 2.827 271 HD2 LYS 38 1HD LYS 38 7.396 -8.726 4.927 272 HD3 LYS 38 2HD LYS 38 6.022 -7.853 5.610 273 HE2 LYS 38 1HE LYS 38 5.752 -9.939 6.546 274 HE3 LYS 38 2HE LYS 38 4.733 -10.065 5.113 275 HZ1 LYS 38 1HZ LYS 38 5.905 -11.905 4.713 276 HZ2 LYS 38 2HZ LYS 38 7.150 -11.481 5.776 277 HZ3 LYS 38 3HZ LYS 38 7.139 -10.869 4.199 278 H TRP 39 H TRP 39 2.951 -5.712 3.730 279 HA TRP 39 HA TRP 39 3.457 -2.854 3.370 280 HB2 TRP 39 1HB TRP 39 0.897 -4.281 2.714 281 HB3 TRP 39 2HB TRP 39 0.871 -2.601 3.243 282 HD1 TRP 39 HD TRP 39 1.867 -4.797 0.291 283 HE1 TRP 39 1HE TRP 39 2.351 -3.291 -1.740 284 HE3 TRP 39 3HE TRP 39 1.687 -0.239 2.600 285 HZ2 TRP 39 2HZ TRP 39 2.621 -0.535 -2.289 286 HZ3 TRP 39 3HZ TRP 39 2.070 1.782 1.251 287 HH2 TRP 39 HH TRP 39 2.528 1.635 -1.143 288 H LEU 40 H LEU 40 3.561 -1.912 5.292 289 HA LEU 40 HA LEU 40 2.429 -3.276 7.612 290 HB2 LEU 40 1HB LEU 40 4.822 -2.395 7.473 291 HB3 LEU 40 2HB LEU 40 4.115 -0.790 7.645 292 HG LEU 40 HG LEU 40 3.479 -2.873 9.684 293 HD11 LEU 40 1HD1 LEU 40 5.474 -2.769 10.770 294 HD12 LEU 40 2HD1 LEU 40 5.875 -1.180 10.121 295 HD13 LEU 40 3HD1 LEU 40 6.054 -2.615 9.111 296 HD21 LEU 40 1HD2 LEU 40 2.931 -1.097 11.007 297 HD22 LEU 40 2HD2 LEU 40 2.601 -0.394 9.423 298 HD23 LEU 40 3HD2 LEU 40 4.114 -0.026 10.255 299 H LEU 41 H LEU 41 1.034 -2.278 9.081 300 HA LEU 41 HA LEU 41 -0.473 -0.017 7.959 301 HB2 LEU 41 1HB LEU 41 -1.331 -1.987 10.072 302 HB3 LEU 41 2HB LEU 41 -2.337 -0.757 9.310 303 HG LEU 41 HG LEU 41 -2.952 -2.821 8.343 304 HD11 LEU 41 1HD1 LEU 41 -2.097 -0.744 6.838 305 HD12 LEU 41 2HD1 LEU 41 -2.881 -2.184 6.191 306 HD13 LEU 41 3HD1 LEU 41 -1.122 -2.056 6.176 307 HD21 LEU 41 1HD2 LEU 41 -0.844 -3.991 9.100 308 HD22 LEU 41 2HD2 LEU 41 -0.081 -3.375 7.634 309 HD23 LEU 41 3HD2 LEU 41 -1.465 -4.463 7.518 310 HA PRO 42 HA PRO 42 0.738 2.660 11.222 311 HB2 PRO 42 1HB PRO 42 -1.486 4.196 11.476 312 HB3 PRO 42 2HB PRO 42 -0.380 4.326 10.103 313 HG2 PRO 42 1HG PRO 42 -2.995 2.882 10.300 314 HG3 PRO 42 2HG PRO 42 -2.371 3.890 8.982 315 HD2 PRO 42 1HD PRO 42 -2.302 1.184 8.904 316 HD3 PRO 42 2HD PRO 42 -1.059 2.193 8.137 317 H ASN 43 H ASN 43 -1.407 0.213 11.665 318 HA ASN 43 HA ASN 43 -2.172 1.003 14.381 319 HB2 ASN 43 1HB ASN 43 -3.914 -0.497 14.258 320 HB3 ASN 43 2HB ASN 43 -3.744 -0.088 12.554 321 HD21 ASN 43 1HD2 ASN 43 -3.305 -1.655 11.137 322 HD22 ASN 43 2HD2 ASN 43 -2.963 -3.297 11.552 323 H GLY 44 H GLY 44 -0.328 -1.407 12.596 324 HA2 GLY 44 1HA GLY 44 1.748 -2.054 13.896 325 HA3 GLY 44 2HA GLY 44 0.621 -2.503 15.168 326 H THR 45 H THR 45 0.875 -3.074 11.655 327 HA THR 45 HA THR 45 1.193 -5.898 12.013 328 HB THR 45 HB THR 45 -1.391 -5.038 10.712 329 HG1 THR 45 1HG THR 45 -2.162 -6.168 12.795 330 HG21 THR 45 1HG2 THR 45 -0.607 -7.167 9.927 331 HG22 THR 45 2HG2 THR 45 -1.937 -7.456 11.049 332 HG23 THR 45 3HG2 THR 45 -0.272 -7.705 11.572 333 H VAL 46 H VAL 46 1.283 -7.051 9.918 334 HA VAL 46 HA VAL 46 1.681 -5.320 7.592 335 HB VAL 46 HB VAL 46 3.766 -7.226 8.659 336 HG11 VAL 46 1HG1 VAL 46 4.957 -6.093 6.538 337 HG12 VAL 46 2HG1 VAL 46 4.102 -7.635 6.460 338 HG13 VAL 46 3HG1 VAL 46 3.296 -6.151 5.949 339 HG21 VAL 46 1HG2 VAL 46 3.580 -4.863 9.588 340 HG22 VAL 46 2HG2 VAL 46 5.151 -5.345 8.947 341 HG23 VAL 46 3HG2 VAL 46 4.087 -4.313 7.991 342 H LEU 47 H LEU 47 1.006 -6.214 5.730 343 HA LEU 47 HA LEU 47 0.198 -9.044 5.809 344 HB2 LEU 47 1HB LEU 47 -0.863 -6.792 4.109 345 HB3 LEU 47 2HB LEU 47 -1.412 -8.465 4.047 346 HG LEU 47 HG LEU 47 -1.650 -6.728 6.498 347 HD11 LEU 47 1HD1 LEU 47 -3.071 -5.593 5.112 348 HD12 LEU 47 2HD1 LEU 47 -4.153 -6.853 5.705 349 HD13 LEU 47 3HD1 LEU 47 -3.409 -7.007 4.114 350 HD21 LEU 47 1HD2 LEU 47 -1.913 -9.478 6.117 351 HD22 LEU 47 2HD2 LEU 47 -3.564 -8.860 6.173 352 HD23 LEU 47 3HD2 LEU 47 -2.455 -8.537 7.507 353 H SER 48 H SER 48 0.063 -9.985 3.485 354 HA SER 48 HA SER 48 2.118 -9.037 1.683 355 HB2 SER 48 1HB SER 48 3.374 -11.175 1.708 356 HB3 SER 48 2HB SER 48 3.460 -10.334 3.256 357 HG SER 48 HG SER 48 1.401 -12.179 2.905 358 H HIS 49 H HIS 49 2.366 -10.757 -0.165 359 HA HIS 49 HA HIS 49 0.012 -10.914 -1.564 360 HB2 HIS 49 1HB HIS 49 2.319 -11.293 -2.478 361 HB3 HIS 49 2HB HIS 49 2.264 -12.917 -1.801 362 HD1 HIS 49 1HD HIS 49 0.661 -10.790 -4.463 363 HD2 HIS 49 2HD HIS 49 0.861 -14.771 -3.289 364 HE1 HIS 49 1HE HIS 49 -0.405 -12.096 -6.329 365 HE2 HIS 49 2HE HIS 49 -0.349 -14.493 -5.558 366 H ALA 50 H ALA 50 1.188 -13.052 0.910 367 HA ALA 50 HA ALA 50 -0.575 -15.225 0.336 368 HB1 ALA 50 1HB ALA 50 0.673 -16.289 1.834 369 HB2 ALA 50 2HB ALA 50 1.609 -14.805 2.020 370 HB3 ALA 50 3HB ALA 50 0.249 -15.130 3.095 371 H SER 51 H SER 51 -0.574 -12.677 2.827 372 HA SER 51 HA SER 51 -2.715 -13.186 4.327 373 HB2 SER 51 1HB SER 51 -1.357 -11.054 4.319 374 HB3 SER 51 2HB SER 51 -2.398 -10.480 3.017 375 HG SER 51 HG SER 51 -4.112 -11.200 4.713 376 H ARG 52 H ARG 52 -4.893 -13.328 4.197 377 HA ARG 52 HA ARG 52 -6.056 -13.215 1.508 378 HB2 ARG 52 1HB ARG 52 -6.204 -15.304 2.967 379 HB3 ARG 52 2HB ARG 52 -7.332 -14.399 3.968 380 HG2 ARG 52 1HG ARG 52 -8.795 -15.480 2.601 381 HG3 ARG 52 2HG ARG 52 -8.541 -14.006 1.664 382 HD2 ARG 52 1HD ARG 52 -8.411 -15.960 0.228 383 HD3 ARG 52 2HD ARG 52 -6.842 -15.161 0.326 384 HE ARG 52 HE ARG 52 -6.890 -17.141 2.277 385 HH11 ARG 52 2HH1 ARG 52 -7.007 -16.898 -1.194 386 HH12 ARG 52 1HH1 ARG 52 -6.258 -18.437 -1.458 387 HH21 ARG 52 2HH2 ARG 52 -5.902 -19.170 1.943 388 HH22 ARG 52 1HH2 ARG 52 -5.630 -19.729 0.327 389 H HIS 53 H HIS 53 -5.565 -10.940 3.487 390 HA HIS 53 HA HIS 53 -7.906 -9.963 4.577 391 HB2 HIS 53 1HB HIS 53 -5.444 -9.021 4.553 392 HB3 HIS 53 2HB HIS 53 -6.047 -8.062 3.205 393 HD1 HIS 53 1HD HIS 53 -8.315 -6.634 3.832 394 HD2 HIS 53 2HD HIS 53 -5.916 -7.909 6.976 395 HE1 HIS 53 1HE HIS 53 -8.959 -5.199 5.794 396 HE2 HIS 53 2HE HIS 53 -7.435 -5.930 7.661 397 HA PRO 54 HA PRO 54 -10.483 -9.282 1.042 398 HB2 PRO 54 1HB PRO 54 -12.419 -7.862 2.310 399 HB3 PRO 54 2HB PRO 54 -12.251 -9.614 2.472 400 HG2 PRO 54 1HG PRO 54 -11.334 -7.445 4.319 401 HG3 PRO 54 2HG PRO 54 -12.121 -8.986 4.707 402 HD2 PRO 54 1HD PRO 54 -9.450 -8.611 4.951 403 HD3 PRO 54 2HD PRO 54 -10.158 -10.180 4.515 404 H ARG 55 H ARG 55 -10.090 -6.506 3.257 405 HA ARG 55 HA ARG 55 -10.474 -4.578 1.194 406 HB2 ARG 55 1HB ARG 55 -9.694 -4.508 4.070 407 HB3 ARG 55 2HB ARG 55 -9.341 -3.095 3.086 408 HG2 ARG 55 1HG ARG 55 -11.542 -2.566 2.802 409 HG3 ARG 55 2HG ARG 55 -12.079 -4.240 2.966 410 HD2 ARG 55 1HD ARG 55 -12.626 -2.615 4.868 411 HD3 ARG 55 2HD ARG 55 -11.937 -4.181 5.295 412 HE ARG 55 HE ARG 55 -9.931 -2.179 4.975 413 HH11 ARG 55 2HH1 ARG 55 -12.324 -3.426 7.176 414 HH12 ARG 55 1HH1 ARG 55 -11.501 -2.865 8.593 415 HH21 ARG 55 2HH2 ARG 55 -8.838 -1.436 6.834 416 HH22 ARG 55 1HH2 ARG 55 -9.519 -1.733 8.398 417 H ILE 56 H ILE 56 -7.586 -5.116 3.218 418 HA ILE 56 HA ILE 56 -5.864 -3.819 1.358 419 HB ILE 56 HB ILE 56 -5.043 -5.669 3.596 420 HG12 ILE 56 1HG1 ILE 56 -5.389 -2.672 3.752 421 HG13 ILE 56 2HG1 ILE 56 -6.619 -3.812 4.288 422 HG21 ILE 56 1HG2 ILE 56 -3.626 -3.962 1.710 423 HG22 ILE 56 2HG2 ILE 56 -3.204 -3.636 3.390 424 HG23 ILE 56 3HG2 ILE 56 -3.022 -5.264 2.735 425 HD11 ILE 56 1HD1 ILE 56 -5.188 -4.663 5.988 426 HD12 ILE 56 2HD1 ILE 56 -3.814 -3.751 5.362 427 HD13 ILE 56 3HD1 ILE 56 -5.175 -2.903 6.096 428 H SER 57 H SER 57 -5.792 -4.765 -0.622 429 HA SER 57 HA SER 57 -4.987 -7.597 -0.734 430 HB2 SER 57 1HB SER 57 -5.836 -7.394 -3.162 431 HB3 SER 57 2HB SER 57 -7.040 -7.446 -1.875 432 HG SER 57 HG SER 57 -7.712 -5.625 -2.657 433 H VAL 58 H VAL 58 -2.985 -8.004 -1.375 434 HA VAL 58 HA VAL 58 -1.379 -5.860 -2.517 435 HB VAL 58 HB VAL 58 -0.535 -8.637 -1.676 436 HG11 VAL 58 1HG1 VAL 58 0.947 -6.232 -2.657 437 HG12 VAL 58 2HG1 VAL 58 1.725 -7.367 -1.552 438 HG13 VAL 58 3HG1 VAL 58 1.130 -7.924 -3.117 439 HG21 VAL 58 1HG2 VAL 58 0.512 -6.698 0.061 440 HG22 VAL 58 2HG2 VAL 58 -1.199 -6.313 -0.127 441 HG23 VAL 58 3HG2 VAL 58 -0.711 -7.917 0.420 442 H LEU 59 H LEU 59 -2.001 -5.688 -4.645 443 HA LEU 59 HA LEU 59 -2.524 -7.776 -6.413 444 HB2 LEU 59 1HB LEU 59 -1.366 -5.059 -7.016 445 HB3 LEU 59 2HB LEU 59 -2.086 -6.149 -8.199 446 HG LEU 59 HG LEU 59 -3.457 -4.618 -6.002 447 HD11 LEU 59 1HD1 LEU 59 -3.836 -4.720 -8.991 448 HD12 LEU 59 2HD1 LEU 59 -3.073 -3.417 -8.082 449 HD13 LEU 59 3HD1 LEU 59 -4.789 -3.756 -7.863 450 HD21 LEU 59 1HD2 LEU 59 -5.486 -5.867 -7.233 451 HD22 LEU 59 2HD2 LEU 59 -4.717 -6.479 -5.768 452 HD23 LEU 59 3HD2 LEU 59 -4.254 -7.125 -7.344 453 H ASN 60 H ASN 60 -1.283 -8.802 -8.004 454 HA ASN 60 HA ASN 60 1.140 -9.832 -7.328 455 HB2 ASN 60 1HB ASN 60 -0.453 -10.332 -9.354 456 HB3 ASN 60 2HB ASN 60 0.630 -9.248 -10.222 457 HD21 ASN 60 1HD2 ASN 60 0.473 -12.212 -8.346 458 HD22 ASN 60 2HD2 ASN 60 1.888 -12.935 -9.025 459 H ASP 61 H ASP 61 0.809 -7.254 -9.774 460 HA ASP 61 HA ASP 61 3.396 -6.588 -10.184 461 HB2 ASP 61 1HB ASP 61 2.658 -4.286 -10.645 462 HB3 ASP 61 2HB ASP 61 1.541 -5.468 -11.319 463 H GLY 62 H GLY 62 1.466 -5.750 -7.361 464 HA2 GLY 62 1HA GLY 62 2.748 -5.657 -5.246 465 HA3 GLY 62 2HA GLY 62 3.922 -4.677 -6.113 466 H THR 63 H THR 63 0.369 -4.551 -5.945 467 HA THR 63 HA THR 63 0.619 -1.778 -4.974 468 HB THR 63 HB THR 63 -1.416 -2.903 -6.904 469 HG1 THR 63 1HG THR 63 0.283 -0.669 -7.290 470 HG21 THR 63 1HG2 THR 63 -1.435 -0.467 -5.213 471 HG22 THR 63 2HG2 THR 63 -2.778 -1.434 -5.822 472 HG23 THR 63 3HG2 THR 63 -1.963 -0.287 -6.885 473 H LEU 64 H LEU 64 -0.729 -1.121 -3.344 474 HA LEU 64 HA LEU 64 -2.213 -3.256 -1.991 475 HB2 LEU 64 1HB LEU 64 -0.378 -1.738 -0.916 476 HB3 LEU 64 2HB LEU 64 -1.692 -0.571 -0.791 477 HG LEU 64 HG LEU 64 -2.970 -2.213 0.549 478 HD11 LEU 64 1HD1 LEU 64 -0.548 -3.863 0.010 479 HD12 LEU 64 2HD1 LEU 64 -2.250 -4.325 0.014 480 HD13 LEU 64 3HD1 LEU 64 -1.405 -4.058 1.539 481 HD21 LEU 64 1HD2 LEU 64 -0.368 -1.063 1.370 482 HD22 LEU 64 2HD2 LEU 64 -1.122 -2.217 2.471 483 HD23 LEU 64 3HD2 LEU 64 -1.991 -0.760 1.990 484 H ASN 65 H ASN 65 -4.261 -3.334 -2.692 485 HA ASN 65 HA ASN 65 -5.713 -0.829 -3.143 486 HB2 ASN 65 1HB ASN 65 -5.759 -2.529 -4.940 487 HB3 ASN 65 2HB ASN 65 -6.512 -3.667 -3.827 488 HD21 ASN 65 1HD2 ASN 65 -7.177 -1.790 -6.327 489 HD22 ASN 65 2HD2 ASN 65 -8.810 -1.343 -5.980 490 H PHE 66 H PHE 66 -7.771 -0.467 -2.210 491 HA PHE 66 HA PHE 66 -8.381 -2.125 0.144 492 HB2 PHE 66 1HB PHE 66 -8.303 0.890 -0.026 493 HB3 PHE 66 2HB PHE 66 -9.080 0.017 1.290 494 HD1 PHE 66 1HD PHE 66 -5.813 0.164 -0.501 495 HD2 PHE 66 2HD PHE 66 -7.859 -0.406 3.188 496 HE1 PHE 66 1HE PHE 66 -3.654 0.022 0.671 497 HE2 PHE 66 2HE PHE 66 -5.703 -0.549 4.365 498 HZ PHE 66 HZ PHE 66 -3.597 -0.334 3.107 499 H SER 67 H SER 67 -10.175 -3.151 -0.537 500 HA SER 67 HA SER 67 -12.066 -2.411 -2.342 501 HB2 SER 67 1HB SER 67 -11.958 -4.607 -1.138 502 HB3 SER 67 2HB SER 67 -12.713 -3.829 0.253 503 HG SER 67 HG SER 67 -13.876 -3.799 -2.327 504 H HIS 68 H HIS 68 -12.023 -1.556 1.098 505 HA HIS 68 HA HIS 68 -13.536 0.838 0.556 506 HB2 HIS 68 1HB HIS 68 -15.349 0.344 2.134 507 HB3 HIS 68 2HB HIS 68 -15.342 -0.804 0.798 508 HD1 HIS 68 1HD HIS 68 -14.051 -3.161 1.427 509 HD2 HIS 68 2HD HIS 68 -15.458 -0.833 4.567 510 HE1 HIS 68 1HE HIS 68 -14.166 -4.705 3.409 511 HE2 HIS 68 2HE HIS 68 -15.100 -3.295 5.275 512 H VAL 69 H VAL 69 -12.228 2.242 1.536 513 HA VAL 69 HA VAL 69 -10.819 1.554 3.966 514 HB VAL 69 HB VAL 69 -9.835 3.803 3.796 515 HG11 VAL 69 1HG1 VAL 69 -9.038 1.758 2.469 516 HG12 VAL 69 2HG1 VAL 69 -9.739 2.565 1.065 517 HG13 VAL 69 3HG1 VAL 69 -8.445 3.344 1.976 518 HG21 VAL 69 1HG2 VAL 69 -10.678 5.452 2.544 519 HG22 VAL 69 2HG2 VAL 69 -10.902 4.397 1.148 520 HG23 VAL 69 3HG2 VAL 69 -12.124 4.450 2.418 521 H LEU 70 H LEU 70 -11.158 2.385 5.989 522 HA LEU 70 HA LEU 70 -13.673 3.869 6.362 523 HB2 LEU 70 1HB LEU 70 -12.308 2.335 8.536 524 HB3 LEU 70 2HB LEU 70 -14.005 2.785 8.389 525 HG LEU 70 HG LEU 70 -13.854 0.427 8.114 526 HD11 LEU 70 1HD1 LEU 70 -15.014 2.072 6.274 527 HD12 LEU 70 2HD1 LEU 70 -15.237 0.325 6.359 528 HD13 LEU 70 3HD1 LEU 70 -14.044 1.009 5.255 529 HD21 LEU 70 1HD2 LEU 70 -12.204 0.381 5.707 530 HD22 LEU 70 2HD2 LEU 70 -12.167 -0.661 7.130 531 HD23 LEU 70 3HD2 LEU 70 -11.330 0.892 7.151 532 H LEU 71 H LEU 71 -13.674 5.171 8.469 533 HA LEU 71 HA LEU 71 -11.712 7.179 8.285 534 HB2 LEU 71 1HB LEU 71 -13.600 6.591 10.561 535 HB3 LEU 71 2HB LEU 71 -12.726 8.101 10.308 536 HG LEU 71 HG LEU 71 -14.723 7.047 8.320 537 HD11 LEU 71 1HD1 LEU 71 -15.418 9.171 10.291 538 HD12 LEU 71 2HD1 LEU 71 -15.565 7.478 10.758 539 HD13 LEU 71 3HD1 LEU 71 -16.471 8.093 9.376 540 HD21 LEU 71 1HD2 LEU 71 -14.725 9.779 8.244 541 HD22 LEU 71 2HD2 LEU 71 -13.807 8.729 7.163 542 HD23 LEU 71 3HD2 LEU 71 -13.034 9.417 8.592 543 H SER 72 H SER 72 -11.913 4.270 10.175 544 HA SER 72 HA SER 72 -9.916 4.995 12.089 545 HB2 SER 72 1HB SER 72 -11.352 2.475 11.354 546 HB3 SER 72 2HB SER 72 -9.890 2.364 12.333 547 HG SER 72 HG SER 72 -12.321 3.668 12.927 548 H ASP 73 H ASP 73 -9.920 3.448 8.952 549 HA ASP 73 HA ASP 73 -7.305 2.381 9.040 550 HB2 ASP 73 1HB ASP 73 -9.072 3.197 6.730 551 HB3 ASP 73 2HB ASP 73 -7.505 2.420 6.518 552 H THR 74 H THR 74 -8.469 5.576 8.735 553 HA THR 74 HA THR 74 -6.595 6.848 7.162 554 HB THR 74 HB THR 74 -7.867 7.871 9.707 555 HG1 THR 74 1HG THR 74 -9.561 8.089 8.471 556 HG21 THR 74 1HG2 THR 74 -5.741 9.005 8.370 557 HG22 THR 74 2HG2 THR 74 -6.876 9.860 9.413 558 HG23 THR 74 3HG2 THR 74 -7.135 9.825 7.670 559 H GLY 75 H GLY 75 -4.471 7.198 7.293 560 HA2 GLY 75 1HA GLY 75 -2.971 7.897 9.479 561 HA3 GLY 75 2HA GLY 75 -2.967 6.139 9.491 562 H VAL 76 H VAL 76 -0.852 5.791 8.989 563 HA VAL 76 HA VAL 76 -0.011 6.652 6.301 564 HB VAL 76 HB VAL 76 1.668 6.607 8.808 565 HG11 VAL 76 1HG1 VAL 76 2.611 7.120 5.991 566 HG12 VAL 76 2HG1 VAL 76 3.593 7.087 7.458 567 HG13 VAL 76 3HG1 VAL 76 2.849 5.604 6.860 568 HG21 VAL 76 1HG2 VAL 76 0.216 8.612 8.268 569 HG22 VAL 76 2HG2 VAL 76 1.936 8.932 8.485 570 HG23 VAL 76 3HG2 VAL 76 1.250 8.863 6.862 571 H TYR 77 H TYR 77 0.779 5.087 5.022 572 HA TYR 77 HA TYR 77 1.205 2.435 6.230 573 HB2 TYR 77 1HB TYR 77 0.269 3.168 3.450 574 HB3 TYR 77 2HB TYR 77 0.634 1.528 3.975 575 HD1 TYR 77 2HD TYR 77 -1.439 4.441 5.080 576 HD2 TYR 77 1HD TYR 77 -1.141 0.219 4.641 577 HE1 TYR 77 2HE TYR 77 -3.744 4.198 5.904 578 HE2 TYR 77 1HE TYR 77 -3.445 -0.035 5.463 579 HH TYR 77 HH TYR 77 -5.312 2.753 6.589 580 H THR 78 H THR 78 2.987 1.228 5.647 581 HA THR 78 HA THR 78 4.992 2.577 3.961 582 HB THR 78 HB THR 78 5.522 1.091 6.542 583 HG1 THR 78 1HG THR 78 4.795 3.224 6.872 584 HG21 THR 78 1HG2 THR 78 7.181 1.101 4.414 585 HG22 THR 78 2HG2 THR 78 7.741 1.085 6.086 586 HG23 THR 78 3HG2 THR 78 7.670 2.604 5.194 587 H CYS 79 H CYS 79 5.712 1.374 2.333 588 HA CYS 79 HA CYS 79 5.013 -1.454 2.251 589 HB2 CYS 79 1HB CYS 79 4.477 -0.063 0.301 590 HB3 CYS 79 2HB CYS 79 6.178 0.350 0.119 591 HG CYS 79 HG CYS 79 6.496 -1.488 -1.642 592 H MET 80 H MET 80 6.445 -3.101 2.295 593 HA MET 80 HA MET 80 9.276 -2.385 2.673 594 HB2 MET 80 1HB MET 80 7.855 -4.882 3.610 595 HB3 MET 80 2HB MET 80 9.507 -4.411 3.986 596 HG2 MET 80 1HG MET 80 8.425 -2.308 5.018 597 HG3 MET 80 2HG MET 80 6.942 -3.260 4.994 598 HE1 MET 80 1HE MET 80 6.997 -5.881 7.058 599 HE2 MET 80 2HE MET 80 6.761 -4.492 8.118 600 HE3 MET 80 3HE MET 80 6.163 -4.447 6.459 601 H VAL 81 H VAL 81 10.843 -3.370 1.477 602 HA VAL 81 HA VAL 81 10.048 -5.488 -0.389 603 HB VAL 81 HB VAL 81 11.603 -3.032 -1.211 604 HG11 VAL 81 1HG1 VAL 81 11.942 -3.979 -3.269 605 HG12 VAL 81 2HG1 VAL 81 12.023 -5.415 -2.247 606 HG13 VAL 81 3HG1 VAL 81 10.543 -5.044 -3.132 607 HG21 VAL 81 1HG2 VAL 81 8.949 -3.818 -2.338 608 HG22 VAL 81 2HG2 VAL 81 9.030 -2.910 -0.829 609 HG23 VAL 81 3HG2 VAL 81 9.727 -2.236 -2.301 610 H THR 82 H THR 82 11.311 -7.144 0.141 611 HA THR 82 HA THR 82 14.144 -6.610 0.758 612 HB THR 82 HB THR 82 12.548 -9.036 1.598 613 HG1 THR 82 1HG THR 82 12.138 -6.741 2.543 614 HG21 THR 82 1HG2 THR 82 15.329 -8.483 1.550 615 HG22 THR 82 2HG2 THR 82 14.505 -9.885 2.233 616 HG23 THR 82 3HG2 THR 82 14.811 -8.467 3.235 617 H ASN 83 H ASN 83 15.507 -7.188 -0.790 618 HA ASN 83 HA ASN 83 14.930 -9.603 -2.361 619 HB2 ASN 83 1HB ASN 83 16.165 -7.163 -3.621 620 HB3 ASN 83 2HB ASN 83 15.453 -8.565 -4.414 621 HD21 ASN 83 1HD2 ASN 83 14.761 -5.989 -5.097 622 HD22 ASN 83 2HD2 ASN 83 13.122 -5.698 -4.635 623 H VAL 84 H VAL 84 16.707 -10.816 -2.972 624 HA VAL 84 HA VAL 84 18.869 -11.014 -1.330 625 HB VAL 84 HB VAL 84 18.319 -12.726 -2.980 626 HG11 VAL 84 1HG1 VAL 84 17.898 -10.968 -4.804 627 HG12 VAL 84 2HG1 VAL 84 19.634 -11.068 -5.106 628 HG13 VAL 84 3HG1 VAL 84 18.622 -12.503 -5.282 629 HG21 VAL 84 1HG2 VAL 84 21.127 -11.655 -3.249 630 HG22 VAL 84 2HG2 VAL 84 20.540 -12.768 -2.013 631 HG23 VAL 84 3HG2 VAL 84 20.613 -13.282 -3.698 632 H ALA 85 H ALA 85 18.576 -8.990 -4.204 633 HA ALA 85 HA ALA 85 21.293 -8.122 -4.201 634 HB1 ALA 85 1HB ALA 85 19.994 -6.182 -5.580 635 HB2 ALA 85 2HB ALA 85 20.520 -7.718 -6.271 636 HB3 ALA 85 3HB ALA 85 18.855 -7.521 -5.722 637 H GLY 86 H GLY 86 18.242 -6.579 -3.186 638 HA2 GLY 86 1HA GLY 86 19.585 -5.200 -1.046 639 HA3 GLY 86 2HA GLY 86 19.110 -4.133 -2.360 640 H ASN 87 H ASN 87 18.070 -3.617 0.056 641 HA ASN 87 HA ASN 87 15.280 -4.517 -0.215 642 HB2 ASN 87 1HB ASN 87 16.432 -3.788 2.459 643 HB3 ASN 87 2HB ASN 87 15.030 -4.788 2.089 644 HD21 ASN 87 1HD2 ASN 87 17.091 -5.502 3.856 645 HD22 ASN 87 2HD2 ASN 87 17.898 -6.886 3.210 646 H SER 88 H SER 88 13.791 -2.949 -0.314 647 HA SER 88 HA SER 88 14.537 -0.240 0.550 648 HB2 SER 88 1HB SER 88 13.505 0.710 -1.457 649 HB3 SER 88 2HB SER 88 14.811 -0.389 -1.900 650 HG SER 88 HG SER 88 12.777 -0.617 -3.096 651 H ASN 89 H ASN 89 12.639 1.201 0.803 652 HA ASN 89 HA ASN 89 10.056 -0.067 1.103 653 HB2 ASN 89 1HB ASN 89 11.129 1.271 3.562 654 HB3 ASN 89 2HB ASN 89 9.822 0.100 3.413 655 HD21 ASN 89 1HD2 ASN 89 10.292 -1.792 4.235 656 HD22 ASN 89 2HD2 ASN 89 11.852 -2.533 4.277 657 H ALA 90 H ALA 90 8.361 1.387 1.132 658 HA ALA 90 HA ALA 90 9.099 4.233 0.914 659 HB1 ALA 90 1HB ALA 90 7.308 4.502 -0.737 660 HB2 ALA 90 2HB ALA 90 8.530 3.351 -1.279 661 HB3 ALA 90 3HB ALA 90 6.985 2.769 -0.661 662 H SER 91 H SER 91 6.970 5.611 1.083 663 HA SER 91 HA SER 91 5.168 4.532 3.117 664 HB2 SER 91 1HB SER 91 6.669 7.138 3.473 665 HB3 SER 91 2HB SER 91 5.468 6.470 4.577 666 HG SER 91 HG SER 91 6.895 4.662 4.843 667 H ALA 92 H ALA 92 3.245 5.845 3.434 668 HA ALA 92 HA ALA 92 2.660 8.063 1.755 669 HB1 ALA 92 1HB ALA 92 2.625 5.902 0.255 670 HB2 ALA 92 2HB ALA 92 1.023 5.706 0.966 671 HB3 ALA 92 3HB ALA 92 1.411 7.167 0.059 672 H TYR 93 H TYR 93 0.952 9.166 2.541 673 HA TYR 93 HA TYR 93 -0.445 8.005 4.822 674 HB2 TYR 93 1HB TYR 93 0.584 10.242 5.043 675 HB3 TYR 93 2HB TYR 93 -0.473 10.842 3.770 676 HD1 TYR 93 2HD TYR 93 -3.028 10.603 4.193 677 HD2 TYR 93 1HD TYR 93 -0.089 10.392 7.262 678 HE1 TYR 93 2HE TYR 93 -4.746 11.142 5.868 679 HE2 TYR 93 1HE TYR 93 -1.800 10.929 8.946 680 HH TYR 93 HH TYR 93 -5.072 11.816 8.021 681 H LEU 94 H LEU 94 -2.610 7.643 4.917 682 HA LEU 94 HA LEU 94 -4.145 8.126 2.448 683 HB2 LEU 94 1HB LEU 94 -3.801 5.787 2.651 684 HB3 LEU 94 2HB LEU 94 -4.213 5.809 4.364 685 HG LEU 94 HG LEU 94 -6.551 6.613 3.444 686 HD11 LEU 94 1HD1 LEU 94 -7.090 6.084 1.300 687 HD12 LEU 94 2HD1 LEU 94 -5.895 4.791 1.198 688 HD13 LEU 94 3HD1 LEU 94 -5.386 6.474 1.068 689 HD21 LEU 94 1HD2 LEU 94 -7.315 4.516 3.913 690 HD22 LEU 94 2HD2 LEU 94 -5.698 4.396 4.606 691 HD23 LEU 94 3HD2 LEU 94 -6.026 3.721 3.009 692 H ASN 95 H ASN 95 -6.078 9.119 2.614 693 HA ASN 95 HA ASN 95 -6.991 9.819 5.326 694 HB2 ASN 95 1HB ASN 95 -6.296 11.787 4.109 695 HB3 ASN 95 2HB ASN 95 -7.279 11.328 2.721 696 HD21 ASN 95 1HD2 ASN 95 -8.293 13.374 2.871 697 HD22 ASN 95 2HD2 ASN 95 -9.528 13.665 4.045 698 H VAL 96 H VAL 96 -9.113 9.543 5.882 699 HA VAL 96 HA VAL 96 -10.935 8.458 3.847 700 HB VAL 96 HB VAL 96 -10.604 7.283 6.611 701 HG11 VAL 96 1HG1 VAL 96 -12.587 6.942 4.450 702 HG12 VAL 96 2HG1 VAL 96 -12.021 5.466 5.235 703 HG13 VAL 96 3HG1 VAL 96 -12.761 6.749 6.194 704 HG21 VAL 96 1HG2 VAL 96 -9.581 6.440 3.925 705 HG22 VAL 96 2HG2 VAL 96 -8.727 6.524 5.466 706 HG23 VAL 96 3HG2 VAL 96 -9.907 5.245 5.181 707 H SER 97 H SER 97 -12.530 9.896 3.743 708 HA SER 97 HA SER 97 -13.531 11.072 6.251 709 HB2 SER 97 1HB SER 97 -12.686 12.772 4.746 710 HB3 SER 97 2HB SER 97 -13.653 12.130 3.418 711 HG SER 97 HG SER 97 -14.808 13.810 4.224 712 H SER 98 H SER 98 -15.591 10.744 6.844 713 HA SER 98 HA SER 98 -17.126 8.680 5.924 714 HB2 SER 98 1HB SER 98 -19.066 9.825 7.026 715 HB3 SER 98 2HB SER 98 -17.624 9.736 8.037 716 HG SER 98 HG SER 98 -18.970 11.881 7.428 717 H GLY 99 H GLY 99 -19.172 8.627 4.761 718 HA2 GLY 99 1HA GLY 99 -19.120 10.485 2.474 719 HA3 GLY 99 2HA GLY 99 -19.761 8.850 2.431 720 HA PRO 100 HA PRO 100 -23.154 12.064 3.132 721 HB2 PRO 100 1HB PRO 100 -24.443 11.708 0.769 722 HB3 PRO 100 2HB PRO 100 -23.147 12.890 0.988 723 HG2 PRO 100 1HG PRO 100 -23.028 10.148 -0.208 724 HG3 PRO 100 2HG PRO 100 -22.271 11.649 -0.773 725 HD2 PRO 100 1HD PRO 100 -20.906 9.755 0.599 726 HD3 PRO 100 2HD PRO 100 -20.532 11.486 0.731 727 H SER 101 H SER 101 -24.899 11.365 4.195 728 HA SER 101 HA SER 101 -25.717 8.572 3.849 729 HB2 SER 101 1HB SER 101 -25.125 9.764 6.134 730 HB3 SER 101 2HB SER 101 -26.799 10.308 6.031 731 HG SER 101 HG SER 101 -25.773 7.743 6.394 732 H SER 102 H SER 102 -27.306 11.710 4.456 733 HA SER 102 HA SER 102 -29.878 10.894 3.719 734 HB2 SER 102 1HB SER 102 -28.623 13.648 3.633 735 HB3 SER 102 2HB SER 102 -30.350 13.332 3.458 736 HG SER 102 HG SER 102 -30.338 13.493 5.556 737 H GLY 103 H GLY 103 -30.785 10.461 1.818 738 HA2 GLY 103 1HA GLY 103 -31.144 10.357 -0.448 739 HA3 GLY 103 2HA GLY 103 -30.250 11.864 -0.574 Start of MODEL 14 1 H1 GLY 1 H GLY 1 22.296 17.126 -12.976 2 HA2 GLY 1 1HA GLY 1 21.708 16.251 -15.080 3 HA3 GLY 1 2HA GLY 1 23.142 15.236 -15.033 4 H SER 2 H SER 2 19.786 15.428 -14.438 5 HA SER 2 HA SER 2 19.799 12.626 -13.548 6 HB2 SER 2 1HB SER 2 18.392 14.961 -12.310 7 HB3 SER 2 2HB SER 2 17.627 13.373 -12.256 8 HG SER 2 HG SER 2 19.753 14.330 -10.844 9 H SER 3 H SER 3 19.414 12.146 -15.784 10 HA SER 3 HA SER 3 16.767 12.929 -16.788 11 HB2 SER 3 1HB SER 3 17.605 12.074 -18.983 12 HB3 SER 3 2HB SER 3 18.563 13.408 -18.338 13 HG SER 3 HG SER 3 20.126 12.031 -18.757 14 H GLY 4 H GLY 4 15.508 11.256 -17.936 15 HA2 GLY 4 1HA GLY 4 14.458 9.215 -18.012 16 HA3 GLY 4 2HA GLY 4 16.016 8.498 -17.626 17 H SER 5 H SER 5 15.644 7.094 -16.033 18 HA SER 5 HA SER 5 14.612 8.115 -13.514 19 HB2 SER 5 1HB SER 5 13.362 5.751 -14.934 20 HB3 SER 5 2HB SER 5 13.039 6.201 -13.260 21 HG SER 5 HG SER 5 12.498 7.737 -15.584 22 H SER 6 H SER 6 16.104 7.573 -12.080 23 HA SER 6 HA SER 6 17.194 4.850 -12.124 24 HB2 SER 6 1HB SER 6 18.738 7.419 -12.198 25 HB3 SER 6 2HB SER 6 19.419 6.019 -11.369 26 HG SER 6 HG SER 6 18.576 6.138 -14.078 27 H GLY 7 H GLY 7 16.674 3.949 -10.250 28 HA2 GLY 7 1HA GLY 7 17.295 5.303 -7.766 29 HA3 GLY 7 2HA GLY 7 15.581 5.024 -8.033 30 HA PRO 8 HA PRO 8 17.193 1.327 -5.812 31 HB2 PRO 8 1HB PRO 8 15.003 1.054 -4.231 32 HB3 PRO 8 2HB PRO 8 16.351 2.123 -3.828 33 HG2 PRO 8 1HG PRO 8 13.709 2.791 -5.066 34 HG3 PRO 8 2HG PRO 8 14.599 3.651 -3.795 35 HD2 PRO 8 1HD PRO 8 14.608 4.457 -6.380 36 HD3 PRO 8 2HD PRO 8 16.000 4.687 -5.303 37 H PHE 9 H PHE 9 15.443 -0.614 -5.118 38 HA PHE 9 HA PHE 9 14.797 -1.805 -7.601 39 HB2 PHE 9 1HB PHE 9 14.195 -2.548 -4.744 40 HB3 PHE 9 2HB PHE 9 13.623 -3.519 -6.096 41 HD1 PHE 9 2HD PHE 9 16.762 -2.011 -4.769 42 HD2 PHE 9 1HD PHE 9 14.941 -5.243 -6.856 43 HE1 PHE 9 2HE PHE 9 18.924 -3.183 -4.834 44 HE2 PHE 9 1HE PHE 9 17.100 -6.420 -6.924 45 HZ PHE 9 HZ PHE 9 19.096 -5.390 -5.913 46 H ILE 10 H ILE 10 12.977 0.079 -5.310 47 HA ILE 10 HA ILE 10 10.388 -0.627 -6.276 48 HB ILE 10 HB ILE 10 11.250 1.818 -4.727 49 HG12 ILE 10 1HG1 ILE 10 9.968 -0.729 -3.723 50 HG13 ILE 10 2HG1 ILE 10 11.694 -0.397 -3.634 51 HG21 ILE 10 1HG2 ILE 10 8.614 1.262 -4.120 52 HG22 ILE 10 2HG2 ILE 10 9.194 2.554 -5.169 53 HG23 ILE 10 3HG2 ILE 10 8.705 1.008 -5.862 54 HD11 ILE 10 1HD1 ILE 10 11.144 0.324 -1.579 55 HD12 ILE 10 2HD1 ILE 10 10.743 1.808 -2.444 56 HD13 ILE 10 3HD1 ILE 10 9.471 0.661 -2.024 57 H MET 11 H MET 11 10.156 -0.339 -8.448 58 HA MET 11 HA MET 11 11.160 1.694 -10.025 59 HB2 MET 11 1HB MET 11 8.495 0.313 -10.385 60 HB3 MET 11 2HB MET 11 9.421 1.131 -11.636 61 HG2 MET 11 1HG MET 11 10.271 -1.339 -10.143 62 HG3 MET 11 2HG MET 11 9.647 -1.284 -11.790 63 HE1 MET 11 1HE MET 11 12.945 -1.972 -10.146 64 HE2 MET 11 2HE MET 11 11.989 -2.835 -11.350 65 HE3 MET 11 3HE MET 11 13.560 -2.163 -11.787 66 H ASP 12 H ASP 12 8.099 1.594 -8.242 67 HA ASP 12 HA ASP 12 7.965 4.519 -8.467 68 HB2 ASP 12 1HB ASP 12 6.352 3.115 -10.011 69 HB3 ASP 12 2HB ASP 12 5.424 2.943 -8.523 70 H ALA 13 H ALA 13 7.480 5.555 -6.615 71 HA ALA 13 HA ALA 13 7.026 3.900 -4.241 72 HB1 ALA 13 1HB ALA 13 7.552 6.167 -3.092 73 HB2 ALA 13 2HB ALA 13 8.861 5.242 -3.829 74 HB3 ALA 13 3HB ALA 13 8.172 6.625 -4.678 75 HA PRO 14 HA PRO 14 2.833 5.184 -3.852 76 HB2 PRO 14 1HB PRO 14 2.513 4.814 -1.182 77 HB3 PRO 14 2HB PRO 14 2.608 3.476 -2.332 78 HG2 PRO 14 1HG PRO 14 4.738 4.602 -0.555 79 HG3 PRO 14 2HG PRO 14 4.351 2.906 -0.902 80 HD2 PRO 14 1HD PRO 14 6.405 4.205 -2.096 81 HD3 PRO 14 2HD PRO 14 5.479 2.929 -2.912 82 H ARG 15 H ARG 15 1.862 7.108 -3.668 83 HA ARG 15 HA ARG 15 3.109 9.130 -1.924 84 HB2 ARG 15 1HB ARG 15 3.208 9.499 -4.439 85 HB3 ARG 15 2HB ARG 15 1.463 9.709 -4.383 86 HG2 ARG 15 1HG ARG 15 1.981 11.495 -2.583 87 HG3 ARG 15 2HG ARG 15 3.612 11.449 -3.255 88 HD2 ARG 15 1HD ARG 15 1.317 11.702 -5.130 89 HD3 ARG 15 2HD ARG 15 1.772 13.112 -4.174 90 HE ARG 15 HE ARG 15 3.216 11.976 -6.379 91 HH11 ARG 15 2HH1 ARG 15 3.482 13.860 -3.463 92 HH12 ARG 15 1HH1 ARG 15 4.932 14.667 -3.962 93 HH21 ARG 15 2HH2 ARG 15 5.124 13.032 -7.046 94 HH22 ARG 15 1HH2 ARG 15 5.865 14.196 -6.001 95 H ASP 16 H ASP 16 1.715 10.639 -0.876 96 HA ASP 16 HA ASP 16 -0.380 9.640 0.528 97 HB2 ASP 16 1HB ASP 16 0.260 11.687 1.342 98 HB3 ASP 16 2HB ASP 16 0.399 12.401 -0.263 99 H LEU 17 H LEU 17 -2.608 9.553 0.359 100 HA LEU 17 HA LEU 17 -3.823 10.333 -2.187 101 HB2 LEU 17 1HB LEU 17 -3.272 8.041 -2.549 102 HB3 LEU 17 2HB LEU 17 -3.906 7.581 -0.970 103 HG LEU 17 HG LEU 17 -6.183 8.328 -1.865 104 HD11 LEU 17 1HD1 LEU 17 -6.377 9.082 -3.942 105 HD12 LEU 17 2HD1 LEU 17 -5.506 7.691 -4.586 106 HD13 LEU 17 3HD1 LEU 17 -4.617 9.113 -4.041 107 HD21 LEU 17 1HD2 LEU 17 -5.934 6.046 -1.536 108 HD22 LEU 17 2HD2 LEU 17 -4.663 5.906 -2.752 109 HD23 LEU 17 3HD2 LEU 17 -6.338 6.149 -3.250 110 H ASN 18 H ASN 18 -5.775 11.235 -1.946 111 HA ASN 18 HA ASN 18 -7.028 11.074 0.711 112 HB2 ASN 18 1HB ASN 18 -7.617 13.192 -1.347 113 HB3 ASN 18 2HB ASN 18 -7.889 13.247 0.392 114 HD21 ASN 18 1HD2 ASN 18 -6.018 14.414 -1.994 115 HD22 ASN 18 2HD2 ASN 18 -4.583 14.782 -1.105 116 H ILE 19 H ILE 19 -8.569 9.562 0.693 117 HA ILE 19 HA ILE 19 -10.539 9.640 -1.494 118 HB ILE 19 HB ILE 19 -9.052 7.633 -1.643 119 HG12 ILE 19 1HG1 ILE 19 -11.803 6.675 -0.949 120 HG13 ILE 19 2HG1 ILE 19 -11.602 7.820 -2.271 121 HG21 ILE 19 1HG2 ILE 19 -8.602 7.193 0.656 122 HG22 ILE 19 2HG2 ILE 19 -10.318 7.013 1.017 123 HG23 ILE 19 3HG2 ILE 19 -9.496 5.813 0.019 124 HD11 ILE 19 1HD1 ILE 19 -10.122 6.281 -3.410 125 HD12 ILE 19 2HD1 ILE 19 -10.243 5.145 -2.066 126 HD13 ILE 19 3HD1 ILE 19 -11.663 5.506 -3.047 127 H SER 20 H SER 20 -12.666 8.749 -0.892 128 HA SER 20 HA SER 20 -13.393 9.657 1.774 129 HB2 SER 20 1HB SER 20 -14.644 10.201 -0.441 130 HB3 SER 20 2HB SER 20 -15.340 8.592 -0.255 131 HG SER 20 HG SER 20 -15.606 10.844 1.419 132 H GLU 21 H GLU 21 -15.121 8.348 2.934 133 HA GLU 21 HA GLU 21 -14.063 5.740 3.444 134 HB2 GLU 21 1HB GLU 21 -14.936 7.065 5.277 135 HB3 GLU 21 2HB GLU 21 -16.516 7.147 4.510 136 HG2 GLU 21 1HG GLU 21 -16.443 4.561 4.665 137 HG3 GLU 21 2HG GLU 21 -15.196 4.847 5.878 138 H GLY 22 H GLY 22 -14.862 3.762 2.909 139 HA2 GLY 22 1HA GLY 22 -16.224 2.175 1.932 140 HA3 GLY 22 2HA GLY 22 -17.484 3.394 1.814 141 H ARG 23 H ARG 23 -14.229 3.569 0.456 142 HA ARG 23 HA ARG 23 -15.364 3.277 -2.236 143 HB2 ARG 23 1HB ARG 23 -13.512 5.499 -1.355 144 HB3 ARG 23 2HB ARG 23 -14.009 5.192 -3.013 145 HG2 ARG 23 1HG ARG 23 -16.420 5.411 -1.948 146 HG3 ARG 23 2HG ARG 23 -15.533 6.368 -0.760 147 HD2 ARG 23 1HD ARG 23 -14.603 7.722 -2.616 148 HD3 ARG 23 2HD ARG 23 -15.610 6.811 -3.741 149 HE ARG 23 HE ARG 23 -17.048 8.076 -1.581 150 HH11 ARG 23 2HH1 ARG 23 -15.837 8.384 -4.830 151 HH12 ARG 23 1HH1 ARG 23 -16.967 9.620 -5.273 152 HH21 ARG 23 2HH2 ARG 23 -18.541 9.703 -2.152 153 HH22 ARG 23 1HH2 ARG 23 -18.504 10.370 -3.749 154 H MET 24 H MET 24 -13.644 2.990 -3.909 155 HA MET 24 HA MET 24 -11.720 1.060 -2.952 156 HB2 MET 24 1HB MET 24 -13.171 1.068 -5.165 157 HB3 MET 24 2HB MET 24 -11.794 1.963 -5.796 158 HG2 MET 24 1HG MET 24 -10.343 0.173 -5.525 159 HG3 MET 24 2HG MET 24 -11.401 -0.632 -4.368 160 HE1 MET 24 1HE MET 24 -10.741 -2.585 -5.413 161 HE2 MET 24 2HE MET 24 -12.001 -3.392 -6.347 162 HE3 MET 24 3HE MET 24 -10.561 -2.775 -7.158 163 H ALA 25 H ALA 25 -9.595 1.360 -2.669 164 HA ALA 25 HA ALA 25 -8.373 3.820 -3.727 165 HB1 ALA 25 1HB ALA 25 -8.999 3.694 -1.158 166 HB2 ALA 25 2HB ALA 25 -7.466 2.826 -1.080 167 HB3 ALA 25 3HB ALA 25 -7.517 4.470 -1.717 168 H GLU 26 H GLU 26 -6.043 3.723 -3.952 169 HA GLU 26 HA GLU 26 -4.786 1.112 -3.791 170 HB2 GLU 26 1HB GLU 26 -4.999 2.565 -6.433 171 HB3 GLU 26 2HB GLU 26 -4.123 1.069 -6.139 172 HG2 GLU 26 1HG GLU 26 -6.279 -0.002 -5.524 173 HG3 GLU 26 2HG GLU 26 -7.099 1.481 -6.008 174 H LEU 27 H LEU 27 -2.538 1.192 -3.782 175 HA LEU 27 HA LEU 27 -1.412 3.903 -3.563 176 HB2 LEU 27 1HB LEU 27 -0.867 1.344 -2.138 177 HB3 LEU 27 2HB LEU 27 0.444 2.507 -2.329 178 HG LEU 27 HG LEU 27 -2.174 3.339 -1.129 179 HD11 LEU 27 1HD1 LEU 27 -0.934 1.247 -0.048 180 HD12 LEU 27 2HD1 LEU 27 -1.708 2.498 0.924 181 HD13 LEU 27 3HD1 LEU 27 0.036 2.534 0.669 182 HD21 LEU 27 1HD2 LEU 27 -0.983 5.140 -0.284 183 HD22 LEU 27 2HD2 LEU 27 -0.254 4.906 -1.873 184 HD23 LEU 27 3HD2 LEU 27 0.568 4.314 -0.428 185 H LYS 28 H LYS 28 0.179 4.510 -4.893 186 HA LYS 28 HA LYS 28 0.908 2.867 -7.098 187 HB2 LYS 28 1HB LYS 28 1.864 5.552 -6.120 188 HB3 LYS 28 2HB LYS 28 2.553 4.776 -7.540 189 HG2 LYS 28 1HG LYS 28 -0.394 5.267 -7.278 190 HG3 LYS 28 2HG LYS 28 0.711 6.491 -7.910 191 HD2 LYS 28 1HD LYS 28 0.584 3.698 -9.022 192 HD3 LYS 28 2HD LYS 28 -0.448 5.002 -9.616 193 HE2 LYS 28 1HE LYS 28 2.558 5.169 -9.502 194 HE3 LYS 28 2HE LYS 28 1.665 4.623 -10.921 195 HZ1 LYS 28 1HZ LYS 28 0.419 6.889 -10.510 196 HZ2 LYS 28 2HZ LYS 28 1.852 6.818 -11.405 197 HZ3 LYS 28 3HZ LYS 28 1.890 7.307 -9.786 198 H CYS 29 H CYS 29 2.115 1.103 -6.715 199 HA CYS 29 HA CYS 29 4.831 1.470 -5.821 200 HB2 CYS 29 1HB CYS 29 3.843 1.159 -3.661 201 HB3 CYS 29 2HB CYS 29 2.881 -0.200 -4.231 202 HG CYS 29 HG CYS 29 6.281 -0.383 -4.264 203 H ARG 30 H ARG 30 6.099 0.243 -7.045 204 HA ARG 30 HA ARG 30 5.010 -2.265 -8.134 205 HB2 ARG 30 1HB ARG 30 6.556 -0.121 -9.588 206 HB3 ARG 30 2HB ARG 30 6.376 -1.755 -10.211 207 HG2 ARG 30 1HG ARG 30 4.081 -1.505 -10.543 208 HG3 ARG 30 2HG ARG 30 3.990 -0.099 -9.480 209 HD2 ARG 30 1HD ARG 30 5.565 1.015 -11.192 210 HD3 ARG 30 2HD ARG 30 5.071 -0.292 -12.269 211 HE ARG 30 HE ARG 30 3.528 1.991 -11.518 212 HH11 ARG 30 2HH1 ARG 30 3.332 -1.355 -12.458 213 HH12 ARG 30 1HH1 ARG 30 1.729 -1.215 -13.102 214 HH21 ARG 30 2HH2 ARG 30 1.418 2.188 -12.363 215 HH22 ARG 30 1HH2 ARG 30 0.642 0.800 -13.048 216 H THR 31 H THR 31 6.312 -4.000 -7.993 217 HA THR 31 HA THR 31 9.122 -3.560 -7.227 218 HB THR 31 HB THR 31 8.809 -5.802 -5.937 219 HG1 THR 31 1HG THR 31 6.734 -6.196 -5.254 220 HG21 THR 31 1HG2 THR 31 8.137 -4.561 -3.906 221 HG22 THR 31 2HG2 THR 31 7.681 -3.192 -4.920 222 HG23 THR 31 3HG2 THR 31 9.365 -3.711 -4.843 223 HA PRO 32 HA PRO 32 10.211 -6.322 -10.465 224 HB2 PRO 32 1HB PRO 32 12.490 -7.403 -9.459 225 HB3 PRO 32 2HB PRO 32 12.396 -5.741 -10.053 226 HG2 PRO 32 1HG PRO 32 12.273 -6.757 -7.240 227 HG3 PRO 32 2HG PRO 32 13.146 -5.356 -7.886 228 HD2 PRO 32 1HD PRO 32 10.781 -5.127 -6.586 229 HD3 PRO 32 2HD PRO 32 11.262 -4.028 -7.895 230 HA PRO 33 HA PRO 33 8.919 -10.453 -9.689 231 HB2 PRO 33 1HB PRO 33 10.601 -11.932 -11.222 232 HB3 PRO 33 2HB PRO 33 9.324 -10.917 -11.902 233 HG2 PRO 33 1HG PRO 33 12.249 -10.347 -11.622 234 HG3 PRO 33 2HG PRO 33 11.174 -10.028 -12.995 235 HD2 PRO 33 1HD PRO 33 11.899 -8.103 -11.235 236 HD3 PRO 33 2HD PRO 33 10.318 -8.112 -12.041 237 H MET 34 H MET 34 9.376 -12.391 -8.578 238 HA MET 34 HA MET 34 10.308 -13.612 -6.899 239 HB2 MET 34 1HB MET 34 12.888 -12.828 -8.268 240 HB3 MET 34 2HB MET 34 12.684 -14.161 -7.139 241 HG2 MET 34 1HG MET 34 10.871 -14.932 -8.869 242 HG3 MET 34 2HG MET 34 11.804 -13.917 -9.967 243 HE1 MET 34 1HE MET 34 11.682 -17.705 -9.838 244 HE2 MET 34 2HE MET 34 11.386 -16.337 -10.911 245 HE3 MET 34 3HE MET 34 12.835 -17.322 -11.117 246 H SER 35 H SER 35 9.691 -10.986 -6.196 247 HA SER 35 HA SER 35 11.823 -10.398 -4.249 248 HB2 SER 35 1HB SER 35 11.374 -8.038 -4.447 249 HB3 SER 35 2HB SER 35 11.641 -8.676 -6.069 250 HG SER 35 HG SER 35 9.134 -8.135 -4.851 251 H SER 36 H SER 36 11.210 -9.974 -2.167 252 HA SER 36 HA SER 36 8.522 -10.789 -1.449 253 HB2 SER 36 1HB SER 36 10.828 -11.361 -0.270 254 HB3 SER 36 2HB SER 36 10.498 -9.858 0.591 255 HG SER 36 HG SER 36 8.252 -11.199 0.604 256 H VAL 37 H VAL 37 6.937 -9.349 -1.414 257 HA VAL 37 HA VAL 37 7.552 -6.590 -0.576 258 HB VAL 37 HB VAL 37 6.796 -6.515 -2.825 259 HG11 VAL 37 1HG1 VAL 37 5.826 -8.534 -3.343 260 HG12 VAL 37 2HG1 VAL 37 4.801 -8.533 -1.906 261 HG13 VAL 37 3HG1 VAL 37 4.407 -7.489 -3.273 262 HG21 VAL 37 1HG2 VAL 37 4.162 -5.887 -1.752 263 HG22 VAL 37 2HG2 VAL 37 5.478 -5.226 -0.782 264 HG23 VAL 37 3HG2 VAL 37 5.362 -4.831 -2.497 265 H LYS 38 H LYS 38 6.358 -5.649 1.013 266 HA LYS 38 HA LYS 38 4.054 -7.098 2.094 267 HB2 LYS 38 1HB LYS 38 6.623 -6.548 3.488 268 HB3 LYS 38 2HB LYS 38 5.144 -6.342 4.416 269 HG2 LYS 38 1HG LYS 38 4.508 -8.626 4.002 270 HG3 LYS 38 2HG LYS 38 5.895 -8.852 2.933 271 HD2 LYS 38 1HD LYS 38 7.386 -8.952 4.665 272 HD3 LYS 38 2HD LYS 38 6.406 -7.922 5.711 273 HE2 LYS 38 1HE LYS 38 6.205 -10.007 6.707 274 HE3 LYS 38 2HE LYS 38 4.750 -9.906 5.717 275 HZ1 LYS 38 1HZ LYS 38 5.929 -11.183 3.995 276 HZ2 LYS 38 2HZ LYS 38 5.759 -12.047 5.439 277 HZ3 LYS 38 3HZ LYS 38 7.250 -11.356 5.037 278 H TRP 39 H TRP 39 2.904 -5.748 3.779 279 HA TRP 39 HA TRP 39 3.252 -2.870 3.362 280 HB2 TRP 39 1HB TRP 39 0.823 -4.487 2.685 281 HB3 TRP 39 2HB TRP 39 0.628 -2.830 3.251 282 HD1 TRP 39 HD TRP 39 1.679 -4.848 0.228 283 HE1 TRP 39 1HE TRP 39 2.111 -3.256 -1.747 284 HE3 TRP 39 3HE TRP 39 1.478 -0.390 2.722 285 HZ2 TRP 39 2HZ TRP 39 2.337 -0.477 -2.190 286 HZ3 TRP 39 3HZ TRP 39 1.813 1.689 1.449 287 HH2 TRP 39 HH TRP 39 2.234 1.645 -0.956 288 H LEU 40 H LEU 40 3.473 -2.012 5.313 289 HA LEU 40 HA LEU 40 2.303 -3.324 7.632 290 HB2 LEU 40 1HB LEU 40 4.691 -2.399 7.468 291 HB3 LEU 40 2HB LEU 40 3.947 -0.814 7.666 292 HG LEU 40 HG LEU 40 3.361 -2.929 9.682 293 HD11 LEU 40 1HD1 LEU 40 5.381 -2.070 10.950 294 HD12 LEU 40 2HD1 LEU 40 5.956 -1.439 9.408 295 HD13 LEU 40 3HD1 LEU 40 5.701 -3.172 9.611 296 HD21 LEU 40 1HD2 LEU 40 3.987 -0.114 10.346 297 HD22 LEU 40 2HD2 LEU 40 2.748 -1.188 10.998 298 HD23 LEU 40 3HD2 LEU 40 2.508 -0.411 9.432 299 H LEU 41 H LEU 41 0.899 -2.315 9.090 300 HA LEU 41 HA LEU 41 -0.572 -0.026 7.966 301 HB2 LEU 41 1HB LEU 41 -1.604 -2.015 9.972 302 HB3 LEU 41 2HB LEU 41 -2.529 -0.819 9.066 303 HG LEU 41 HG LEU 41 -3.012 -2.933 8.115 304 HD11 LEU 41 1HD1 LEU 41 -0.919 -1.841 6.266 305 HD12 LEU 41 2HD1 LEU 41 -2.420 -0.973 6.584 306 HD13 LEU 41 3HD1 LEU 41 -2.468 -2.585 5.870 307 HD21 LEU 41 1HD2 LEU 41 -0.107 -3.470 7.604 308 HD22 LEU 41 2HD2 LEU 41 -1.468 -4.592 7.567 309 HD23 LEU 41 3HD2 LEU 41 -0.881 -3.966 9.109 310 HA PRO 42 HA PRO 42 0.484 2.460 11.429 311 HB2 PRO 42 1HB PRO 42 -1.732 4.014 11.634 312 HB3 PRO 42 2HB PRO 42 -0.547 4.198 10.336 313 HG2 PRO 42 1HG PRO 42 -3.186 2.786 10.304 314 HG3 PRO 42 2HG PRO 42 -2.473 3.852 9.080 315 HD2 PRO 42 1HD PRO 42 -2.433 1.153 8.864 316 HD3 PRO 42 2HD PRO 42 -1.135 2.181 8.224 317 H ASN 43 H ASN 43 -1.716 0.027 11.616 318 HA ASN 43 HA ASN 43 -2.607 0.683 14.331 319 HB2 ASN 43 1HB ASN 43 -4.388 -0.745 14.031 320 HB3 ASN 43 2HB ASN 43 -4.119 -0.239 12.366 321 HD21 ASN 43 1HD2 ASN 43 -4.123 -1.817 10.954 322 HD22 ASN 43 2HD2 ASN 43 -3.674 -3.458 11.251 323 H GLY 44 H GLY 44 -0.157 -0.955 12.767 324 HA2 GLY 44 1HA GLY 44 1.612 -2.007 13.947 325 HA3 GLY 44 2HA GLY 44 0.480 -2.415 15.228 326 H THR 45 H THR 45 0.842 -3.045 11.734 327 HA THR 45 HA THR 45 1.018 -5.866 12.124 328 HB THR 45 HB THR 45 -1.497 -4.972 10.725 329 HG1 THR 45 1HG THR 45 -1.969 -4.427 12.780 330 HG21 THR 45 1HG2 THR 45 -0.796 -7.166 10.089 331 HG22 THR 45 2HG2 THR 45 -2.137 -7.352 11.219 332 HG23 THR 45 3HG2 THR 45 -0.481 -7.614 11.765 333 H VAL 46 H VAL 46 1.096 -7.046 10.038 334 HA VAL 46 HA VAL 46 1.537 -5.387 7.680 335 HB VAL 46 HB VAL 46 3.667 -7.235 8.767 336 HG11 VAL 46 1HG1 VAL 46 4.838 -7.020 6.819 337 HG12 VAL 46 2HG1 VAL 46 3.195 -6.949 6.178 338 HG13 VAL 46 3HG1 VAL 46 4.111 -5.462 6.424 339 HG21 VAL 46 1HG2 VAL 46 4.966 -5.341 9.231 340 HG22 VAL 46 2HG2 VAL 46 3.927 -4.283 8.275 341 HG23 VAL 46 3HG2 VAL 46 3.357 -4.921 9.817 342 H LEU 47 H LEU 47 0.817 -6.354 5.887 343 HA LEU 47 HA LEU 47 0.118 -9.204 6.055 344 HB2 LEU 47 1HB LEU 47 -0.921 -7.075 4.191 345 HB3 LEU 47 2HB LEU 47 -1.460 -8.752 4.243 346 HG LEU 47 HG LEU 47 -1.737 -6.915 6.607 347 HD11 LEU 47 1HD1 LEU 47 -4.237 -7.077 5.552 348 HD12 LEU 47 2HD1 LEU 47 -3.249 -6.936 4.099 349 HD13 LEU 47 3HD1 LEU 47 -3.147 -5.705 5.357 350 HD21 LEU 47 1HD2 LEU 47 -2.007 -9.587 6.460 351 HD22 LEU 47 2HD2 LEU 47 -3.641 -9.090 6.019 352 HD23 LEU 47 3HD2 LEU 47 -2.945 -8.570 7.554 353 H SER 48 H SER 48 0.047 -10.233 3.749 354 HA SER 48 HA SER 48 2.138 -9.345 1.966 355 HB2 SER 48 1HB SER 48 3.153 -11.789 2.201 356 HB3 SER 48 2HB SER 48 3.694 -10.469 3.237 357 HG SER 48 HG SER 48 1.777 -12.466 3.863 358 H HIS 49 H HIS 49 2.512 -11.283 0.293 359 HA HIS 49 HA HIS 49 0.162 -11.556 -1.156 360 HB2 HIS 49 1HB HIS 49 2.627 -11.911 -1.878 361 HB3 HIS 49 2HB HIS 49 2.377 -13.577 -1.366 362 HD1 HIS 49 1HD HIS 49 1.488 -11.149 -4.042 363 HD2 HIS 49 2HD HIS 49 0.629 -15.076 -2.995 364 HE1 HIS 49 1HE HIS 49 0.383 -12.157 -6.063 365 HE2 HIS 49 2HE HIS 49 -0.205 -14.508 -5.376 366 H ALA 50 H ALA 50 1.123 -13.217 1.630 367 HA ALA 50 HA ALA 50 -0.328 -15.654 1.101 368 HB1 ALA 50 1HB ALA 50 0.415 -16.403 3.181 369 HB2 ALA 50 2HB ALA 50 1.732 -15.379 2.607 370 HB3 ALA 50 3HB ALA 50 0.598 -14.765 3.811 371 H SER 51 H SER 51 -0.687 -13.256 3.719 372 HA SER 51 HA SER 51 -3.065 -13.868 4.758 373 HB2 SER 51 1HB SER 51 -2.678 -10.997 3.978 374 HB3 SER 51 2HB SER 51 -3.286 -11.667 5.491 375 HG SER 51 HG SER 51 -0.965 -10.793 5.254 376 H ARG 52 H ARG 52 -5.216 -13.772 4.290 377 HA ARG 52 HA ARG 52 -5.898 -13.185 1.491 378 HB2 ARG 52 1HB ARG 52 -6.304 -15.498 2.678 379 HB3 ARG 52 2HB ARG 52 -7.719 -14.683 3.331 380 HG2 ARG 52 1HG ARG 52 -7.142 -14.746 0.388 381 HG3 ARG 52 2HG ARG 52 -8.023 -16.039 1.203 382 HD2 ARG 52 1HD ARG 52 -9.520 -14.155 2.114 383 HD3 ARG 52 2HD ARG 52 -8.797 -13.164 0.848 384 HE ARG 52 HE ARG 52 -9.631 -15.330 -0.513 385 HH11 ARG 52 2HH1 ARG 52 -11.210 -13.236 1.777 386 HH12 ARG 52 1HH1 ARG 52 -12.784 -13.447 1.082 387 HH21 ARG 52 2HH2 ARG 52 -11.697 -15.616 -1.436 388 HH22 ARG 52 1HH2 ARG 52 -13.060 -14.802 -0.744 389 H HIS 53 H HIS 53 -5.661 -10.953 2.970 390 HA HIS 53 HA HIS 53 -8.046 -10.163 4.303 391 HB2 HIS 53 1HB HIS 53 -5.607 -9.163 4.373 392 HB3 HIS 53 2HB HIS 53 -6.208 -8.159 3.057 393 HD1 HIS 53 1HD HIS 53 -8.514 -6.808 3.698 394 HD2 HIS 53 2HD HIS 53 -6.163 -8.183 6.836 395 HE1 HIS 53 1HE HIS 53 -9.235 -5.482 5.709 396 HE2 HIS 53 2HE HIS 53 -7.740 -6.271 7.576 397 HA PRO 54 HA PRO 54 -10.560 -9.396 0.739 398 HB2 PRO 54 1HB PRO 54 -12.565 -8.093 2.023 399 HB3 PRO 54 2HB PRO 54 -12.350 -9.845 2.108 400 HG2 PRO 54 1HG PRO 54 -11.540 -7.740 4.076 401 HG3 PRO 54 2HG PRO 54 -12.290 -9.320 4.372 402 HD2 PRO 54 1HD PRO 54 -9.638 -8.881 4.699 403 HD3 PRO 54 2HD PRO 54 -10.289 -10.447 4.173 404 H ARG 55 H ARG 55 -10.307 -6.717 3.090 405 HA ARG 55 HA ARG 55 -10.704 -4.702 1.117 406 HB2 ARG 55 1HB ARG 55 -9.997 -4.763 4.007 407 HB3 ARG 55 2HB ARG 55 -9.617 -3.299 3.110 408 HG2 ARG 55 1HG ARG 55 -11.986 -3.181 2.394 409 HG3 ARG 55 2HG ARG 55 -12.326 -4.571 3.427 410 HD2 ARG 55 1HD ARG 55 -12.863 -2.384 4.478 411 HD3 ARG 55 2HD ARG 55 -11.696 -3.344 5.387 412 HE ARG 55 HE ARG 55 -11.216 -0.826 4.037 413 HH11 ARG 55 2HH1 ARG 55 -9.839 -3.652 5.535 414 HH12 ARG 55 1HH1 ARG 55 -8.307 -2.903 5.842 415 HH21 ARG 55 2HH2 ARG 55 -9.203 0.170 4.435 416 HH22 ARG 55 1HH2 ARG 55 -7.947 -0.728 5.216 417 H ILE 56 H ILE 56 -7.833 -5.242 3.164 418 HA ILE 56 HA ILE 56 -6.124 -3.825 1.376 419 HB ILE 56 HB ILE 56 -5.370 -5.681 3.637 420 HG12 ILE 56 1HG1 ILE 56 -5.523 -2.666 3.687 421 HG13 ILE 56 2HG1 ILE 56 -6.853 -3.696 4.206 422 HG21 ILE 56 1HG2 ILE 56 -3.394 -5.444 2.507 423 HG22 ILE 56 2HG2 ILE 56 -3.823 -3.858 1.867 424 HG23 ILE 56 3HG2 ILE 56 -3.328 -4.024 3.552 425 HD11 ILE 56 1HD1 ILE 56 -5.659 -4.507 6.037 426 HD12 ILE 56 2HD1 ILE 56 -4.114 -3.956 5.387 427 HD13 ILE 56 3HD1 ILE 56 -5.285 -2.784 5.990 428 H SER 57 H SER 57 -5.992 -4.710 -0.630 429 HA SER 57 HA SER 57 -5.187 -7.532 -0.832 430 HB2 SER 57 1HB SER 57 -6.285 -5.739 -3.010 431 HB3 SER 57 2HB SER 57 -5.992 -7.475 -3.123 432 HG SER 57 HG SER 57 -8.224 -6.490 -2.528 433 H VAL 58 H VAL 58 -3.159 -7.986 -1.352 434 HA VAL 58 HA VAL 58 -1.427 -5.830 -2.314 435 HB VAL 58 HB VAL 58 -0.716 -8.561 -1.232 436 HG11 VAL 58 1HG1 VAL 58 0.971 -6.275 -2.209 437 HG12 VAL 58 2HG1 VAL 58 1.592 -7.492 -1.092 438 HG13 VAL 58 3HG1 VAL 58 1.027 -7.969 -2.694 439 HG21 VAL 58 1HG2 VAL 58 -0.666 -5.812 -0.003 440 HG22 VAL 58 2HG2 VAL 58 -1.585 -7.218 0.533 441 HG23 VAL 58 3HG2 VAL 58 0.172 -7.203 0.686 442 H LEU 59 H LEU 59 -1.557 -5.683 -4.484 443 HA LEU 59 HA LEU 59 -1.958 -7.877 -6.226 444 HB2 LEU 59 1HB LEU 59 -0.706 -5.255 -6.991 445 HB3 LEU 59 2HB LEU 59 -1.652 -6.346 -8.001 446 HG LEU 59 HG LEU 59 -2.594 -4.411 -5.915 447 HD11 LEU 59 1HD1 LEU 59 -2.388 -3.715 -8.281 448 HD12 LEU 59 2HD1 LEU 59 -4.044 -3.656 -7.678 449 HD13 LEU 59 3HD1 LEU 59 -3.533 -4.983 -8.721 450 HD21 LEU 59 1HD2 LEU 59 -3.923 -6.098 -5.181 451 HD22 LEU 59 2HD2 LEU 59 -3.813 -6.997 -6.695 452 HD23 LEU 59 3HD2 LEU 59 -4.884 -5.600 -6.573 453 H ASN 60 H ASN 60 -0.546 -9.048 -7.472 454 HA ASN 60 HA ASN 60 1.914 -9.755 -6.495 455 HB2 ASN 60 1HB ASN 60 2.394 -10.539 -8.888 456 HB3 ASN 60 2HB ASN 60 0.953 -11.184 -8.108 457 HD21 ASN 60 1HD2 ASN 60 2.045 -10.139 -10.936 458 HD22 ASN 60 2HD2 ASN 60 0.602 -9.479 -11.619 459 H ASP 61 H ASP 61 1.126 -7.115 -8.662 460 HA ASP 61 HA ASP 61 3.730 -6.484 -9.516 461 HB2 ASP 61 1HB ASP 61 1.239 -4.806 -9.222 462 HB3 ASP 61 2HB ASP 61 2.738 -4.171 -9.893 463 H GLY 62 H GLY 62 1.847 -5.409 -6.715 464 HA2 GLY 62 1HA GLY 62 3.380 -5.170 -4.695 465 HA3 GLY 62 2HA GLY 62 4.257 -4.034 -5.710 466 H THR 63 H THR 63 1.010 -3.822 -6.409 467 HA THR 63 HA THR 63 0.804 -1.310 -4.961 468 HB THR 63 HB THR 63 -0.869 -2.595 -7.109 469 HG1 THR 63 1HG THR 63 0.657 -0.199 -6.902 470 HG21 THR 63 1HG2 THR 63 -1.640 -0.521 -5.159 471 HG22 THR 63 2HG2 THR 63 -2.646 -1.603 -6.123 472 HG23 THR 63 3HG2 THR 63 -1.976 -0.141 -6.847 473 H LEU 64 H LEU 64 -0.709 -0.831 -3.407 474 HA LEU 64 HA LEU 64 -2.041 -3.148 -2.192 475 HB2 LEU 64 1HB LEU 64 -0.381 -1.639 -0.930 476 HB3 LEU 64 2HB LEU 64 -1.695 -0.466 -0.896 477 HG LEU 64 HG LEU 64 -3.081 -2.088 0.337 478 HD11 LEU 64 1HD1 LEU 64 -1.429 -3.946 1.383 479 HD12 LEU 64 2HD1 LEU 64 -0.784 -3.829 -0.254 480 HD13 LEU 64 3HD1 LEU 64 -2.483 -4.230 -0.003 481 HD21 LEU 64 1HD2 LEU 64 -2.192 -1.551 2.372 482 HD22 LEU 64 2HD2 LEU 64 -1.301 -0.424 1.348 483 HD23 LEU 64 3HD2 LEU 64 -0.541 -1.926 1.877 484 H ASN 65 H ASN 65 -4.095 -3.368 -2.778 485 HA ASN 65 HA ASN 65 -5.686 -0.993 -3.399 486 HB2 ASN 65 1HB ASN 65 -5.612 -2.941 -4.988 487 HB3 ASN 65 2HB ASN 65 -6.448 -3.896 -3.766 488 HD21 ASN 65 1HD2 ASN 65 -6.946 -2.360 -6.525 489 HD22 ASN 65 2HD2 ASN 65 -8.576 -1.827 -6.317 490 H PHE 66 H PHE 66 -7.741 -0.639 -2.465 491 HA PHE 66 HA PHE 66 -8.273 -2.123 0.017 492 HB2 PHE 66 1HB PHE 66 -8.259 0.875 -0.353 493 HB3 PHE 66 2HB PHE 66 -8.984 0.073 1.037 494 HD1 PHE 66 1HD PHE 66 -5.766 0.218 -0.838 495 HD2 PHE 66 2HD PHE 66 -7.706 -0.241 2.922 496 HE1 PHE 66 1HE PHE 66 -3.577 0.200 0.285 497 HE2 PHE 66 2HE PHE 66 -5.520 -0.258 4.052 498 HZ PHE 66 HZ PHE 66 -3.452 -0.036 2.733 499 H SER 67 H SER 67 -9.956 -3.272 -0.900 500 HA SER 67 HA SER 67 -11.901 -2.655 -2.611 501 HB2 SER 67 1HB SER 67 -11.776 -4.782 -1.326 502 HB3 SER 67 2HB SER 67 -12.479 -3.953 0.063 503 HG SER 67 HG SER 67 -14.184 -4.849 -0.955 504 H HIS 68 H HIS 68 -11.933 -1.651 0.794 505 HA HIS 68 HA HIS 68 -13.395 0.734 0.144 506 HB2 HIS 68 1HB HIS 68 -15.361 0.309 1.471 507 HB3 HIS 68 2HB HIS 68 -15.202 -0.986 0.288 508 HD1 HIS 68 1HD HIS 68 -14.015 -3.243 1.314 509 HD2 HIS 68 2HD HIS 68 -15.700 -0.569 4.010 510 HE1 HIS 68 1HE HIS 68 -14.334 -4.545 3.442 511 HE2 HIS 68 2HE HIS 68 -15.434 -2.930 5.032 512 H VAL 69 H VAL 69 -12.076 2.089 1.190 513 HA VAL 69 HA VAL 69 -10.700 1.452 3.588 514 HB VAL 69 HB VAL 69 -10.137 3.877 3.658 515 HG11 VAL 69 1HG1 VAL 69 -9.737 2.904 0.855 516 HG12 VAL 69 2HG1 VAL 69 -8.612 3.760 1.912 517 HG13 VAL 69 3HG1 VAL 69 -8.990 2.063 2.213 518 HG21 VAL 69 1HG2 VAL 69 -11.412 5.373 2.626 519 HG22 VAL 69 2HG2 VAL 69 -11.054 4.625 1.070 520 HG23 VAL 69 3HG2 VAL 69 -12.438 4.076 2.015 521 H LEU 70 H LEU 70 -10.901 2.655 5.628 522 HA LEU 70 HA LEU 70 -13.650 3.514 6.211 523 HB2 LEU 70 1HB LEU 70 -12.066 1.895 8.171 524 HB3 LEU 70 2HB LEU 70 -13.798 2.218 8.149 525 HG LEU 70 HG LEU 70 -12.471 0.530 6.046 526 HD11 LEU 70 1HD1 LEU 70 -13.878 -1.032 7.981 527 HD12 LEU 70 2HD1 LEU 70 -12.621 -0.094 8.786 528 HD13 LEU 70 3HD1 LEU 70 -12.202 -1.163 7.448 529 HD21 LEU 70 1HD2 LEU 70 -15.239 1.212 6.863 530 HD22 LEU 70 2HD2 LEU 70 -14.936 -0.433 6.301 531 HD23 LEU 70 3HD2 LEU 70 -14.563 0.939 5.256 532 H LEU 71 H LEU 71 -13.845 4.850 8.135 533 HA LEU 71 HA LEU 71 -11.992 6.926 8.231 534 HB2 LEU 71 1HB LEU 71 -14.141 6.047 10.134 535 HB3 LEU 71 2HB LEU 71 -13.145 7.465 10.451 536 HG LEU 71 HG LEU 71 -15.024 7.069 8.124 537 HD11 LEU 71 1HD1 LEU 71 -15.463 7.964 10.756 538 HD12 LEU 71 2HD1 LEU 71 -16.571 8.029 9.386 539 HD13 LEU 71 3HD1 LEU 71 -15.502 9.391 9.719 540 HD21 LEU 71 1HD2 LEU 71 -13.533 8.429 7.105 541 HD22 LEU 71 2HD2 LEU 71 -12.847 9.001 8.626 542 HD23 LEU 71 3HD2 LEU 71 -14.371 9.669 8.039 543 H SER 72 H SER 72 -11.985 3.871 9.816 544 HA SER 72 HA SER 72 -10.069 4.688 11.839 545 HB2 SER 72 1HB SER 72 -11.245 1.979 11.173 546 HB3 SER 72 2HB SER 72 -10.150 2.293 12.520 547 HG SER 72 HG SER 72 -12.496 3.814 12.243 548 H ASP 73 H ASP 73 -10.019 3.620 8.634 549 HA ASP 73 HA ASP 73 -7.493 2.237 8.751 550 HB2 ASP 73 1HB ASP 73 -9.265 3.149 6.489 551 HB3 ASP 73 2HB ASP 73 -7.682 2.433 6.203 552 H THR 74 H THR 74 -8.531 5.486 8.500 553 HA THR 74 HA THR 74 -6.567 6.708 6.990 554 HB THR 74 HB THR 74 -7.845 7.763 9.521 555 HG1 THR 74 1HG THR 74 -9.530 8.064 8.286 556 HG21 THR 74 1HG2 THR 74 -5.678 8.839 8.301 557 HG22 THR 74 2HG2 THR 74 -6.901 9.783 9.153 558 HG23 THR 74 3HG2 THR 74 -6.979 9.616 7.399 559 H GLY 75 H GLY 75 -4.442 7.037 7.204 560 HA2 GLY 75 1HA GLY 75 -2.993 7.624 9.451 561 HA3 GLY 75 2HA GLY 75 -3.036 5.868 9.415 562 H VAL 76 H VAL 76 -0.951 5.413 8.931 563 HA VAL 76 HA VAL 76 0.020 6.368 6.320 564 HB VAL 76 HB VAL 76 1.579 6.157 8.891 565 HG11 VAL 76 1HG1 VAL 76 3.397 7.005 7.063 566 HG12 VAL 76 2HG1 VAL 76 3.246 5.339 7.625 567 HG13 VAL 76 3HG1 VAL 76 2.479 5.835 6.116 568 HG21 VAL 76 1HG2 VAL 76 2.021 8.454 8.613 569 HG22 VAL 76 2HG2 VAL 76 1.458 8.443 6.942 570 HG23 VAL 76 3HG2 VAL 76 0.303 8.264 8.263 571 H TYR 77 H TYR 77 0.779 4.833 4.987 572 HA TYR 77 HA TYR 77 1.073 2.111 6.078 573 HB2 TYR 77 1HB TYR 77 0.158 2.985 3.331 574 HB3 TYR 77 2HB TYR 77 0.446 1.314 3.802 575 HD1 TYR 77 2HD TYR 77 -1.467 4.279 5.052 576 HD2 TYR 77 1HD TYR 77 -1.405 0.077 4.387 577 HE1 TYR 77 2HE TYR 77 -3.779 4.121 5.875 578 HE2 TYR 77 1HE TYR 77 -3.717 -0.093 5.208 579 HH TYR 77 HH TYR 77 -5.323 2.565 6.740 580 H THR 78 H THR 78 3.083 1.384 6.085 581 HA THR 78 HA THR 78 5.041 2.568 4.248 582 HB THR 78 HB THR 78 5.526 0.870 6.705 583 HG1 THR 78 1HG THR 78 4.940 2.755 7.561 584 HG21 THR 78 1HG2 THR 78 7.260 0.956 4.781 585 HG22 THR 78 2HG2 THR 78 7.807 1.251 6.431 586 HG23 THR 78 3HG2 THR 78 7.549 2.606 5.332 587 H CYS 79 H CYS 79 5.677 1.465 2.524 588 HA CYS 79 HA CYS 79 5.012 -1.365 2.308 589 HB2 CYS 79 1HB CYS 79 4.416 0.152 0.456 590 HB3 CYS 79 2HB CYS 79 6.118 0.541 0.235 591 HG CYS 79 HG CYS 79 5.840 -2.704 0.108 592 H MET 80 H MET 80 6.449 -2.939 2.573 593 HA MET 80 HA MET 80 9.282 -2.215 2.799 594 HB2 MET 80 1HB MET 80 8.006 -4.827 3.605 595 HB3 MET 80 2HB MET 80 9.577 -4.202 4.089 596 HG2 MET 80 1HG MET 80 8.334 -2.317 5.220 597 HG3 MET 80 2HG MET 80 6.863 -3.246 4.938 598 HE1 MET 80 1HE MET 80 6.637 -5.994 6.851 599 HE2 MET 80 2HE MET 80 6.313 -4.628 7.919 600 HE3 MET 80 3HE MET 80 5.914 -4.521 6.204 601 H VAL 81 H VAL 81 10.873 -3.223 1.614 602 HA VAL 81 HA VAL 81 10.038 -5.184 -0.404 603 HB VAL 81 HB VAL 81 11.767 -2.788 -1.032 604 HG11 VAL 81 1HG1 VAL 81 12.178 -3.683 -3.058 605 HG12 VAL 81 2HG1 VAL 81 11.826 -5.207 -2.240 606 HG13 VAL 81 3HG1 VAL 81 10.572 -4.401 -3.183 607 HG21 VAL 81 1HG2 VAL 81 8.866 -3.210 -1.156 608 HG22 VAL 81 2HG2 VAL 81 9.795 -1.711 -1.118 609 HG23 VAL 81 3HG2 VAL 81 9.583 -2.579 -2.639 610 H THR 82 H THR 82 11.236 -6.931 -0.089 611 HA THR 82 HA THR 82 14.071 -6.581 0.642 612 HB THR 82 HB THR 82 12.297 -8.905 1.417 613 HG1 THR 82 1HG THR 82 12.988 -6.508 2.707 614 HG21 THR 82 1HG2 THR 82 15.191 -8.328 1.664 615 HG22 THR 82 2HG2 THR 82 14.350 -9.872 1.523 616 HG23 THR 82 3HG2 THR 82 14.403 -9.035 3.074 617 H ASN 83 H ASN 83 15.525 -7.447 -0.697 618 HA ASN 83 HA ASN 83 14.737 -9.651 -2.454 619 HB2 ASN 83 1HB ASN 83 14.501 -7.363 -3.603 620 HB3 ASN 83 2HB ASN 83 16.260 -7.295 -3.554 621 HD21 ASN 83 1HD2 ASN 83 13.544 -8.448 -5.194 622 HD22 ASN 83 2HD2 ASN 83 14.358 -9.436 -6.354 623 H VAL 84 H VAL 84 16.749 -10.441 -3.706 624 HA VAL 84 HA VAL 84 18.828 -10.896 -1.736 625 HB VAL 84 HB VAL 84 18.071 -12.835 -2.928 626 HG11 VAL 84 1HG1 VAL 84 18.562 -11.149 -5.347 627 HG12 VAL 84 2HG1 VAL 84 18.633 -12.909 -5.465 628 HG13 VAL 84 3HG1 VAL 84 17.152 -12.119 -4.924 629 HG21 VAL 84 1HG2 VAL 84 20.646 -12.256 -2.551 630 HG22 VAL 84 2HG2 VAL 84 20.113 -13.765 -3.295 631 HG23 VAL 84 3HG2 VAL 84 20.663 -12.429 -4.306 632 H ALA 85 H ALA 85 18.281 -8.775 -4.307 633 HA ALA 85 HA ALA 85 21.145 -8.364 -4.795 634 HB1 ALA 85 1HB ALA 85 18.689 -7.469 -6.280 635 HB2 ALA 85 2HB ALA 85 20.299 -6.841 -6.632 636 HB3 ALA 85 3HB ALA 85 19.962 -8.561 -6.827 637 H GLY 86 H GLY 86 18.407 -6.978 -3.220 638 HA2 GLY 86 1HA GLY 86 19.924 -5.090 -1.802 639 HA3 GLY 86 2HA GLY 86 19.166 -4.271 -3.161 640 H ASN 87 H ASN 87 18.290 -3.135 -1.124 641 HA ASN 87 HA ASN 87 15.635 -4.251 -0.625 642 HB2 ASN 87 1HB ASN 87 15.848 -3.569 1.806 643 HB3 ASN 87 2HB ASN 87 16.787 -4.981 1.330 644 HD21 ASN 87 1HD2 ASN 87 18.675 -5.008 2.288 645 HD22 ASN 87 2HD2 ASN 87 19.686 -3.642 2.597 646 H SER 88 H SER 88 14.146 -2.629 0.323 647 HA SER 88 HA SER 88 14.849 0.136 0.298 648 HB2 SER 88 1HB SER 88 14.656 -0.579 -2.191 649 HB3 SER 88 2HB SER 88 12.920 -0.621 -1.883 650 HG SER 88 HG SER 88 14.655 1.601 -1.548 651 H ASN 89 H ASN 89 12.873 1.534 0.566 652 HA ASN 89 HA ASN 89 10.473 0.185 1.461 653 HB2 ASN 89 1HB ASN 89 10.530 1.161 3.719 654 HB3 ASN 89 2HB ASN 89 11.882 0.063 3.461 655 HD21 ASN 89 1HD2 ASN 89 11.721 2.107 5.424 656 HD22 ASN 89 2HD2 ASN 89 12.983 3.241 5.098 657 H ALA 90 H ALA 90 8.708 1.634 1.844 658 HA ALA 90 HA ALA 90 9.124 4.435 1.131 659 HB1 ALA 90 1HB ALA 90 8.451 2.749 -0.855 660 HB2 ALA 90 2HB ALA 90 6.848 3.182 -0.260 661 HB3 ALA 90 3HB ALA 90 7.958 4.441 -0.800 662 H SER 91 H SER 91 7.031 5.689 1.359 663 HA SER 91 HA SER 91 5.150 4.507 3.252 664 HB2 SER 91 1HB SER 91 6.850 6.936 3.830 665 HB3 SER 91 2HB SER 91 5.365 6.576 4.711 666 HG SER 91 HG SER 91 7.724 5.011 4.574 667 H ALA 92 H ALA 92 3.248 5.897 3.616 668 HA ALA 92 HA ALA 92 2.759 8.168 1.978 669 HB1 ALA 92 1HB ALA 92 1.276 7.290 0.355 670 HB2 ALA 92 2HB ALA 92 2.726 6.288 0.297 671 HB3 ALA 92 3HB ALA 92 1.278 5.697 1.111 672 H TYR 93 H TYR 93 0.663 9.074 2.312 673 HA TYR 93 HA TYR 93 -0.629 8.048 4.743 674 HB2 TYR 93 1HB TYR 93 0.312 10.368 4.786 675 HB3 TYR 93 2HB TYR 93 -0.848 10.814 3.540 676 HD1 TYR 93 1HD TYR 93 -0.557 9.592 7.029 677 HD2 TYR 93 2HD TYR 93 -3.061 11.399 4.103 678 HE1 TYR 93 1HE TYR 93 -2.224 10.085 8.769 679 HE2 TYR 93 2HE TYR 93 -4.734 11.898 5.835 680 HH TYR 93 HH TYR 93 -4.164 11.960 8.980 681 H LEU 94 H LEU 94 -2.930 8.070 4.901 682 HA LEU 94 HA LEU 94 -4.376 8.215 2.353 683 HB2 LEU 94 1HB LEU 94 -3.929 5.894 2.600 684 HB3 LEU 94 2HB LEU 94 -4.381 5.925 4.304 685 HG LEU 94 HG LEU 94 -6.734 6.563 3.400 686 HD11 LEU 94 1HD1 LEU 94 -6.206 6.945 1.109 687 HD12 LEU 94 2HD1 LEU 94 -7.169 5.470 1.195 688 HD13 LEU 94 3HD1 LEU 94 -5.423 5.371 0.966 689 HD21 LEU 94 1HD2 LEU 94 -6.013 4.436 4.533 690 HD22 LEU 94 2HD2 LEU 94 -5.744 3.759 2.926 691 HD23 LEU 94 3HD2 LEU 94 -7.361 4.273 3.407 692 H ASN 95 H ASN 95 -5.754 9.839 2.694 693 HA ASN 95 HA ASN 95 -6.950 10.241 5.313 694 HB2 ASN 95 1HB ASN 95 -6.147 12.209 4.134 695 HB3 ASN 95 2HB ASN 95 -7.164 11.830 2.747 696 HD21 ASN 95 1HD2 ASN 95 -7.890 14.056 3.147 697 HD22 ASN 95 2HD2 ASN 95 -9.177 14.306 4.272 698 H VAL 96 H VAL 96 -8.930 9.603 5.871 699 HA VAL 96 HA VAL 96 -10.795 8.794 3.736 700 HB VAL 96 HB VAL 96 -10.573 7.456 6.433 701 HG11 VAL 96 1HG1 VAL 96 -12.568 6.635 5.897 702 HG12 VAL 96 2HG1 VAL 96 -12.501 7.366 4.292 703 HG13 VAL 96 3HG1 VAL 96 -11.789 5.776 4.568 704 HG21 VAL 96 1HG2 VAL 96 -9.787 6.031 3.960 705 HG22 VAL 96 2HG2 VAL 96 -8.657 7.230 4.588 706 HG23 VAL 96 3HG2 VAL 96 -9.164 5.880 5.603 707 H SER 97 H SER 97 -12.496 10.094 3.716 708 HA SER 97 HA SER 97 -13.429 11.243 6.263 709 HB2 SER 97 1HB SER 97 -12.697 12.950 4.686 710 HB3 SER 97 2HB SER 97 -13.753 12.287 3.439 711 HG SER 97 HG SER 97 -15.485 12.720 5.070 712 H SER 98 H SER 98 -15.448 10.845 6.945 713 HA SER 98 HA SER 98 -16.945 8.723 6.045 714 HB2 SER 98 1HB SER 98 -17.352 9.656 8.228 715 HB3 SER 98 2HB SER 98 -17.854 11.197 7.532 716 HG SER 98 HG SER 98 -19.670 9.986 8.085 717 H GLY 99 H GLY 99 -18.341 8.360 4.433 718 HA2 GLY 99 1HA GLY 99 -19.003 10.631 2.683 719 HA3 GLY 99 2HA GLY 99 -18.976 8.942 2.196 720 HA PRO 100 HA PRO 100 -23.300 10.499 3.530 721 HB2 PRO 100 1HB PRO 100 -24.354 11.029 1.085 722 HB3 PRO 100 2HB PRO 100 -23.530 12.250 2.061 723 HG2 PRO 100 1HG PRO 100 -22.483 10.636 -0.233 724 HG3 PRO 100 2HG PRO 100 -22.260 12.361 0.117 725 HD2 PRO 100 1HD PRO 100 -20.366 10.505 0.667 726 HD3 PRO 100 2HD PRO 100 -20.593 11.961 1.657 727 H SER 101 H SER 101 -21.798 8.148 1.699 728 HA SER 101 HA SER 101 -23.693 6.705 0.384 729 HB2 SER 101 1HB SER 101 -22.408 4.650 1.090 730 HB3 SER 101 2HB SER 101 -21.419 5.939 0.402 731 HG SER 101 HG SER 101 -20.319 5.676 2.182 732 H SER 102 H SER 102 -25.281 5.229 0.872 733 HA SER 102 HA SER 102 -26.584 5.562 3.396 734 HB2 SER 102 1HB SER 102 -27.676 5.165 1.095 735 HB3 SER 102 2HB SER 102 -27.298 3.462 1.356 736 HG SER 102 HG SER 102 -28.594 4.864 3.399 737 H GLY 103 H GLY 103 -26.893 4.068 5.036 738 HA2 GLY 103 1HA GLY 103 -26.373 2.315 6.424 739 HA3 GLY 103 2HA GLY 103 -26.030 1.387 4.971 Start of MODEL 15 1 H1 GLY 1 H GLY 1 21.947 19.939 -6.099 2 HA2 GLY 1 1HA GLY 1 20.115 18.043 -6.659 3 HA3 GLY 1 2HA GLY 1 21.051 18.015 -5.172 4 H SER 2 H SER 2 17.977 18.061 -6.456 5 HA SER 2 HA SER 2 16.734 19.385 -4.179 6 HB2 SER 2 1HB SER 2 15.712 19.881 -6.285 7 HB3 SER 2 2HB SER 2 15.613 18.173 -6.711 8 HG SER 2 HG SER 2 14.325 19.118 -4.399 9 H SER 3 H SER 3 16.663 16.184 -5.734 10 HA SER 3 HA SER 3 15.209 15.016 -3.540 11 HB2 SER 3 1HB SER 3 15.251 12.988 -4.793 12 HB3 SER 3 2HB SER 3 15.038 14.285 -5.968 13 HG SER 3 HG SER 3 16.637 12.772 -6.616 14 H GLY 4 H GLY 4 15.978 13.787 -1.892 15 HA2 GLY 4 1HA GLY 4 18.918 13.612 -1.668 16 HA3 GLY 4 2HA GLY 4 17.825 13.771 -0.301 17 H SER 5 H SER 5 17.650 11.610 -3.111 18 HA SER 5 HA SER 5 18.098 9.320 -1.335 19 HB2 SER 5 1HB SER 5 16.166 8.140 -2.187 20 HB3 SER 5 2HB SER 5 15.636 9.704 -1.568 21 HG SER 5 HG SER 5 14.969 8.866 -3.814 22 H SER 6 H SER 6 19.714 8.186 -2.157 23 HA SER 6 HA SER 6 20.894 8.508 -4.619 24 HB2 SER 6 1HB SER 6 20.848 6.202 -2.693 25 HB3 SER 6 2HB SER 6 21.711 6.067 -4.226 26 HG SER 6 HG SER 6 23.262 7.049 -3.216 27 H GLY 7 H GLY 7 18.525 6.007 -3.705 28 HA2 GLY 7 1HA GLY 7 16.779 5.845 -5.607 29 HA3 GLY 7 2HA GLY 7 18.181 5.379 -6.558 30 HA PRO 8 HA PRO 8 17.099 1.901 -3.314 31 HB2 PRO 8 1HB PRO 8 14.444 1.766 -2.764 32 HB3 PRO 8 2HB PRO 8 15.582 2.696 -1.782 33 HG2 PRO 8 1HG PRO 8 13.717 3.641 -3.924 34 HG3 PRO 8 2HG PRO 8 14.072 4.372 -2.348 35 HD2 PRO 8 1HD PRO 8 15.180 5.266 -4.651 36 HD3 PRO 8 2HD PRO 8 16.030 5.333 -3.094 37 H PHE 9 H PHE 9 15.482 -0.064 -3.551 38 HA PHE 9 HA PHE 9 15.367 -0.627 -6.398 39 HB2 PHE 9 1HB PHE 9 15.176 -2.283 -3.905 40 HB3 PHE 9 2HB PHE 9 14.610 -2.939 -5.437 41 HD1 PHE 9 1HD PHE 9 16.204 -3.198 -7.325 42 HD2 PHE 9 2HD PHE 9 17.477 -2.123 -3.408 43 HE1 PHE 9 1HE PHE 9 18.509 -3.840 -7.901 44 HE2 PHE 9 2HE PHE 9 19.784 -2.762 -3.979 45 HZ PHE 9 HZ PHE 9 20.302 -3.621 -6.228 46 H ILE 10 H ILE 10 13.499 1.285 -5.583 47 HA ILE 10 HA ILE 10 10.961 -0.197 -5.805 48 HB ILE 10 HB ILE 10 11.275 2.601 -4.726 49 HG12 ILE 10 1HG1 ILE 10 12.401 0.708 -3.381 50 HG13 ILE 10 2HG1 ILE 10 11.284 1.770 -2.531 51 HG21 ILE 10 1HG2 ILE 10 9.075 2.438 -5.353 52 HG22 ILE 10 2HG2 ILE 10 9.009 0.700 -5.065 53 HG23 ILE 10 3HG2 ILE 10 8.988 1.820 -3.704 54 HD11 ILE 10 1HD1 ILE 10 10.233 -0.744 -3.713 55 HD12 ILE 10 2HD1 ILE 10 11.187 -0.828 -2.232 56 HD13 ILE 10 3HD1 ILE 10 9.712 0.138 -2.277 57 H MET 11 H MET 11 11.166 -0.257 -8.102 58 HA MET 11 HA MET 11 11.685 1.662 -9.909 59 HB2 MET 11 1HB MET 11 9.312 -0.210 -10.016 60 HB3 MET 11 2HB MET 11 9.993 0.643 -11.395 61 HG2 MET 11 1HG MET 11 11.701 -1.165 -9.742 62 HG3 MET 11 2HG MET 11 10.631 -1.822 -10.978 63 HE1 MET 11 1HE MET 11 13.325 -2.748 -11.566 64 HE2 MET 11 2HE MET 11 12.062 -2.764 -12.796 65 HE3 MET 11 3HE MET 11 13.672 -2.161 -13.193 66 H ASP 12 H ASP 12 8.605 1.333 -8.175 67 HA ASP 12 HA ASP 12 8.106 4.176 -8.632 68 HB2 ASP 12 1HB ASP 12 5.947 2.120 -9.113 69 HB3 ASP 12 2HB ASP 12 5.870 3.853 -9.418 70 H ALA 13 H ALA 13 8.015 4.944 -6.626 71 HA ALA 13 HA ALA 13 6.970 3.330 -4.453 72 HB1 ALA 13 1HB ALA 13 7.530 5.578 -3.201 73 HB2 ALA 13 2HB ALA 13 8.804 4.458 -3.685 74 HB3 ALA 13 3HB ALA 13 8.471 5.889 -4.660 75 HA PRO 14 HA PRO 14 2.899 4.995 -4.450 76 HB2 PRO 14 1HB PRO 14 2.282 4.692 -1.824 77 HB3 PRO 14 2HB PRO 14 2.376 3.334 -2.951 78 HG2 PRO 14 1HG PRO 14 4.406 4.299 -0.973 79 HG3 PRO 14 2HG PRO 14 3.910 2.638 -1.348 80 HD2 PRO 14 1HD PRO 14 6.178 3.739 -2.335 81 HD3 PRO 14 2HD PRO 14 5.232 2.535 -3.233 82 H ARG 15 H ARG 15 1.627 6.764 -3.689 83 HA ARG 15 HA ARG 15 3.074 8.794 -2.137 84 HB2 ARG 15 1HB ARG 15 3.105 9.117 -4.717 85 HB3 ARG 15 2HB ARG 15 1.422 9.582 -4.515 86 HG2 ARG 15 1HG ARG 15 1.941 11.518 -3.415 87 HG3 ARG 15 2HG ARG 15 3.472 10.887 -2.803 88 HD2 ARG 15 1HD ARG 15 4.585 11.302 -4.786 89 HD3 ARG 15 2HD ARG 15 3.102 11.290 -5.739 90 HE ARG 15 HE ARG 15 2.884 13.451 -4.052 91 HH11 ARG 15 2HH1 ARG 15 5.094 12.393 -6.525 92 HH12 ARG 15 1HH1 ARG 15 5.534 13.999 -7.002 93 HH21 ARG 15 2HH2 ARG 15 3.455 15.571 -4.671 94 HH22 ARG 15 1HH2 ARG 15 4.602 15.806 -5.947 95 H ASP 16 H ASP 16 1.785 10.195 -0.928 96 HA ASP 16 HA ASP 16 -0.376 9.288 0.382 97 HB2 ASP 16 1HB ASP 16 0.440 11.288 1.225 98 HB3 ASP 16 2HB ASP 16 0.438 12.073 -0.352 99 H LEU 17 H LEU 17 -2.627 9.401 0.233 100 HA LEU 17 HA LEU 17 -3.780 10.281 -2.305 101 HB2 LEU 17 1HB LEU 17 -3.398 7.994 -2.765 102 HB3 LEU 17 2HB LEU 17 -3.960 7.505 -1.168 103 HG LEU 17 HG LEU 17 -6.246 8.455 -1.976 104 HD11 LEU 17 1HD1 LEU 17 -5.360 7.615 -4.673 105 HD12 LEU 17 2HD1 LEU 17 -4.907 9.233 -4.139 106 HD13 LEU 17 3HD1 LEU 17 -6.607 8.766 -4.193 107 HD21 LEU 17 1HD2 LEU 17 -5.233 5.971 -1.727 108 HD22 LEU 17 2HD2 LEU 17 -5.631 5.975 -3.445 109 HD23 LEU 17 3HD2 LEU 17 -6.883 6.310 -2.248 110 H ASN 18 H ASN 18 -5.921 10.913 -2.183 111 HA ASN 18 HA ASN 18 -7.071 10.959 0.530 112 HB2 ASN 18 1HB ASN 18 -8.220 13.065 -0.187 113 HB3 ASN 18 2HB ASN 18 -6.465 13.197 -0.124 114 HD21 ASN 18 1HD2 ASN 18 -9.160 13.823 -1.931 115 HD22 ASN 18 2HD2 ASN 18 -8.415 14.054 -3.472 116 H ILE 19 H ILE 19 -8.654 9.507 0.642 117 HA ILE 19 HA ILE 19 -10.633 9.446 -1.537 118 HB ILE 19 HB ILE 19 -9.183 7.431 -1.621 119 HG12 ILE 19 1HG1 ILE 19 -11.894 6.529 -0.714 120 HG13 ILE 19 2HG1 ILE 19 -11.751 7.555 -2.137 121 HG21 ILE 19 1HG2 ILE 19 -8.555 7.056 0.606 122 HG22 ILE 19 2HG2 ILE 19 -10.225 7.077 1.171 123 HG23 ILE 19 3HG2 ILE 19 -9.635 5.718 0.216 124 HD11 ILE 19 1HD1 ILE 19 -9.906 5.673 -2.702 125 HD12 ILE 19 2HD1 ILE 19 -11.064 4.729 -1.765 126 HD13 ILE 19 3HD1 ILE 19 -11.594 5.595 -3.207 127 H SER 20 H SER 20 -12.754 8.590 -0.860 128 HA SER 20 HA SER 20 -13.434 9.623 1.780 129 HB2 SER 20 1HB SER 20 -15.076 8.862 -0.634 130 HB3 SER 20 2HB SER 20 -15.816 9.230 0.924 131 HG SER 20 HG SER 20 -13.990 11.001 -0.301 132 H GLU 21 H GLU 21 -14.934 8.431 3.163 133 HA GLU 21 HA GLU 21 -14.041 5.772 3.606 134 HB2 GLU 21 1HB GLU 21 -14.681 7.076 5.503 135 HB3 GLU 21 2HB GLU 21 -16.269 7.401 4.823 136 HG2 GLU 21 1HG GLU 21 -16.506 4.797 4.919 137 HG3 GLU 21 2HG GLU 21 -15.234 4.939 6.131 138 H GLY 22 H GLY 22 -14.697 3.976 2.637 139 HA2 GLY 22 1HA GLY 22 -16.336 2.397 1.995 140 HA3 GLY 22 2HA GLY 22 -17.509 3.700 1.872 141 H ARG 23 H ARG 23 -14.294 3.695 0.433 142 HA ARG 23 HA ARG 23 -15.507 3.359 -2.221 143 HB2 ARG 23 1HB ARG 23 -13.536 5.517 -1.444 144 HB3 ARG 23 2HB ARG 23 -14.068 5.180 -3.085 145 HG2 ARG 23 1HG ARG 23 -16.450 5.561 -2.063 146 HG3 ARG 23 2HG ARG 23 -15.544 6.447 -0.834 147 HD2 ARG 23 1HD ARG 23 -14.460 7.725 -2.708 148 HD3 ARG 23 2HD ARG 23 -15.611 6.958 -3.801 149 HE ARG 23 HE ARG 23 -17.176 8.061 -1.871 150 HH11 ARG 23 2HH1 ARG 23 -14.690 9.283 -3.980 151 HH12 ARG 23 1HH1 ARG 23 -15.363 10.877 -4.064 152 HH21 ARG 23 2HH2 ARG 23 -18.071 10.157 -1.974 153 HH22 ARG 23 1HH2 ARG 23 -17.285 11.374 -2.922 154 H MET 24 H MET 24 -13.769 3.045 -3.930 155 HA MET 24 HA MET 24 -11.920 1.033 -2.943 156 HB2 MET 24 1HB MET 24 -13.458 0.979 -5.096 157 HB3 MET 24 2HB MET 24 -12.079 1.792 -5.826 158 HG2 MET 24 1HG MET 24 -10.672 -0.031 -5.496 159 HG3 MET 24 2HG MET 24 -11.734 -0.748 -4.286 160 HE1 MET 24 1HE MET 24 -12.749 -3.570 -6.334 161 HE2 MET 24 2HE MET 24 -11.048 -3.105 -6.326 162 HE3 MET 24 3HE MET 24 -12.029 -2.891 -4.874 163 H ALA 25 H ALA 25 -9.819 1.358 -2.622 164 HA ALA 25 HA ALA 25 -8.519 3.640 -3.951 165 HB1 ALA 25 1HB ALA 25 -9.149 3.902 -1.428 166 HB2 ALA 25 2HB ALA 25 -7.721 2.897 -1.174 167 HB3 ALA 25 3HB ALA 25 -7.576 4.442 -2.013 168 H GLU 26 H GLU 26 -6.279 3.414 -4.349 169 HA GLU 26 HA GLU 26 -5.078 0.803 -3.833 170 HB2 GLU 26 1HB GLU 26 -5.314 1.999 -6.600 171 HB3 GLU 26 2HB GLU 26 -4.380 0.567 -6.189 172 HG2 GLU 26 1HG GLU 26 -6.570 -0.418 -5.344 173 HG3 GLU 26 2HG GLU 26 -7.357 0.915 -6.187 174 H LEU 27 H LEU 27 -2.840 0.811 -3.773 175 HA LEU 27 HA LEU 27 -1.616 3.484 -3.806 176 HB2 LEU 27 1HB LEU 27 -1.022 0.985 -2.263 177 HB3 LEU 27 2HB LEU 27 0.191 2.251 -2.444 178 HG LEU 27 HG LEU 27 -2.531 2.798 -1.288 179 HD11 LEU 27 1HD1 LEU 27 -1.801 2.321 0.860 180 HD12 LEU 27 2HD1 LEU 27 -0.102 2.307 0.389 181 HD13 LEU 27 3HD1 LEU 27 -1.158 0.976 -0.082 182 HD21 LEU 27 1HD2 LEU 27 -0.046 4.294 -1.735 183 HD22 LEU 27 2HD2 LEU 27 -0.747 4.485 -0.128 184 HD23 LEU 27 3HD2 LEU 27 -1.705 4.868 -1.559 185 H LYS 28 H LYS 28 -0.416 3.914 -5.524 186 HA LYS 28 HA LYS 28 0.431 1.968 -7.388 187 HB2 LYS 28 1HB LYS 28 1.118 4.872 -6.986 188 HB3 LYS 28 2HB LYS 28 1.860 3.916 -8.263 189 HG2 LYS 28 1HG LYS 28 -1.109 4.284 -7.933 190 HG3 LYS 28 2HG LYS 28 -0.093 5.258 -8.998 191 HD2 LYS 28 1HD LYS 28 0.643 2.969 -9.974 192 HD3 LYS 28 2HD LYS 28 -0.825 2.360 -9.205 193 HE2 LYS 28 1HE LYS 28 -2.125 4.073 -10.427 194 HE3 LYS 28 2HE LYS 28 -0.647 4.574 -11.247 195 HZ1 LYS 28 1HZ LYS 28 -1.098 1.758 -11.442 196 HZ2 LYS 28 2HZ LYS 28 -0.806 2.888 -12.666 197 HZ3 LYS 28 3HZ LYS 28 -2.380 2.648 -12.094 198 H CYS 29 H CYS 29 1.916 0.475 -6.947 199 HA CYS 29 HA CYS 29 4.531 1.336 -5.999 200 HB2 CYS 29 1HB CYS 29 3.724 0.740 -3.897 201 HB3 CYS 29 2HB CYS 29 2.733 -0.565 -4.537 202 HG CYS 29 HG CYS 29 4.397 -2.423 -3.970 203 H ARG 30 H ARG 30 6.059 0.436 -7.207 204 HA ARG 30 HA ARG 30 5.421 -2.068 -8.624 205 HB2 ARG 30 1HB ARG 30 6.878 0.399 -9.482 206 HB3 ARG 30 2HB ARG 30 7.327 -1.147 -10.189 207 HG2 ARG 30 1HG ARG 30 5.779 -0.344 -11.693 208 HG3 ARG 30 2HG ARG 30 4.795 -1.388 -10.665 209 HD2 ARG 30 1HD ARG 30 4.429 0.807 -9.293 210 HD3 ARG 30 2HD ARG 30 4.903 1.592 -10.799 211 HE ARG 30 HE ARG 30 2.424 0.267 -10.249 212 HH11 ARG 30 2HH1 ARG 30 4.674 1.153 -12.754 213 HH12 ARG 30 1HH1 ARG 30 3.482 1.133 -14.012 214 HH21 ARG 30 2HH2 ARG 30 0.846 0.238 -11.896 215 HH22 ARG 30 1HH2 ARG 30 1.305 0.613 -13.523 216 H THR 31 H THR 31 6.606 -3.775 -8.098 217 HA THR 31 HA THR 31 9.224 -3.325 -6.818 218 HB THR 31 HB THR 31 8.846 -5.609 -5.771 219 HG1 THR 31 1HG THR 31 6.102 -5.246 -6.013 220 HG21 THR 31 1HG2 THR 31 7.886 -4.674 -3.892 221 HG22 THR 31 2HG2 THR 31 6.725 -3.729 -4.826 222 HG23 THR 31 3HG2 THR 31 8.415 -3.230 -4.755 223 HA PRO 32 HA PRO 32 11.087 -5.580 -10.107 224 HB2 PRO 32 1HB PRO 32 13.327 -6.441 -8.837 225 HB3 PRO 32 2HB PRO 32 13.091 -4.762 -9.335 226 HG2 PRO 32 1HG PRO 32 12.713 -6.010 -6.641 227 HG3 PRO 32 2HG PRO 32 13.468 -4.461 -7.061 228 HD2 PRO 32 1HD PRO 32 10.935 -4.639 -6.120 229 HD3 PRO 32 2HD PRO 32 11.440 -3.386 -7.272 230 HA PRO 33 HA PRO 33 10.277 -9.890 -9.789 231 HB2 PRO 33 1HB PRO 33 12.345 -11.016 -11.139 232 HB3 PRO 33 2HB PRO 33 11.050 -10.119 -11.940 233 HG2 PRO 33 1HG PRO 33 13.800 -9.207 -11.188 234 HG3 PRO 33 2HG PRO 33 12.896 -8.917 -12.685 235 HD2 PRO 33 1HD PRO 33 13.095 -7.064 -10.721 236 HD3 PRO 33 2HD PRO 33 11.660 -7.209 -11.756 237 H MET 34 H MET 34 10.737 -11.748 -8.621 238 HA MET 34 HA MET 34 11.651 -13.040 -6.989 239 HB2 MET 34 1HB MET 34 14.246 -11.669 -7.713 240 HB3 MET 34 2HB MET 34 14.075 -13.174 -6.820 241 HG2 MET 34 1HG MET 34 12.811 -13.960 -8.965 242 HG3 MET 34 2HG MET 34 13.697 -12.639 -9.722 243 HE1 MET 34 1HE MET 34 13.913 -14.889 -11.000 244 HE2 MET 34 2HE MET 34 15.609 -15.346 -11.160 245 HE3 MET 34 3HE MET 34 14.509 -16.353 -10.217 246 H SER 35 H SER 35 10.474 -10.566 -6.276 247 HA SER 35 HA SER 35 11.996 -9.961 -3.828 248 HB2 SER 35 1HB SER 35 11.410 -7.641 -3.971 249 HB3 SER 35 2HB SER 35 12.080 -8.101 -5.536 250 HG SER 35 HG SER 35 9.348 -7.774 -4.852 251 H SER 36 H SER 36 10.809 -9.650 -1.956 252 HA SER 36 HA SER 36 8.119 -10.766 -2.028 253 HB2 SER 36 1HB SER 36 9.604 -11.715 -0.377 254 HB3 SER 36 2HB SER 36 9.979 -10.118 0.269 255 HG SER 36 HG SER 36 8.139 -10.099 1.324 256 H VAL 37 H VAL 37 6.301 -9.638 -1.699 257 HA VAL 37 HA VAL 37 6.558 -6.754 -1.230 258 HB VAL 37 HB VAL 37 4.182 -8.323 -2.243 259 HG11 VAL 37 1HG1 VAL 37 4.394 -5.684 -1.193 260 HG12 VAL 37 2HG1 VAL 37 4.052 -5.580 -2.921 261 HG13 VAL 37 3HG1 VAL 37 2.980 -6.498 -1.862 262 HG21 VAL 37 1HG2 VAL 37 5.485 -6.418 -4.036 263 HG22 VAL 37 2HG2 VAL 37 6.500 -7.792 -3.597 264 HG23 VAL 37 3HG2 VAL 37 4.924 -8.062 -4.342 265 H LYS 38 H LYS 38 5.955 -5.867 0.632 266 HA LYS 38 HA LYS 38 3.997 -7.248 2.320 267 HB2 LYS 38 1HB LYS 38 6.822 -6.624 2.994 268 HB3 LYS 38 2HB LYS 38 5.623 -6.338 4.248 269 HG2 LYS 38 1HG LYS 38 5.560 -8.948 2.838 270 HG3 LYS 38 2HG LYS 38 6.861 -8.655 3.995 271 HD2 LYS 38 1HD LYS 38 5.025 -7.936 5.616 272 HD3 LYS 38 2HD LYS 38 3.893 -8.668 4.477 273 HE2 LYS 38 1HE LYS 38 4.817 -10.812 4.781 274 HE3 LYS 38 2HE LYS 38 6.257 -10.168 5.568 275 HZ1 LYS 38 1HZ LYS 38 5.047 -10.931 7.342 276 HZ2 LYS 38 2HZ LYS 38 3.552 -10.531 6.658 277 HZ3 LYS 38 3HZ LYS 38 4.542 -9.316 7.296 278 H TRP 39 H TRP 39 2.766 -5.908 3.640 279 HA TRP 39 HA TRP 39 3.227 -3.017 3.373 280 HB2 TRP 39 1HB TRP 39 0.704 -4.549 2.792 281 HB3 TRP 39 2HB TRP 39 0.643 -2.856 3.276 282 HD1 TRP 39 HD TRP 39 1.666 -5.105 0.367 283 HE1 TRP 39 1HE TRP 39 2.050 -3.642 -1.715 284 HE3 TRP 39 3HE TRP 39 1.334 -0.491 2.544 285 HZ2 TRP 39 2HZ TRP 39 2.194 -0.896 -2.351 286 HZ3 TRP 39 3HZ TRP 39 1.608 1.503 1.129 287 HH2 TRP 39 HH TRP 39 2.030 1.302 -1.268 288 H LEU 40 H LEU 40 3.575 -2.275 5.355 289 HA LEU 40 HA LEU 40 2.317 -3.576 7.644 290 HB2 LEU 40 1HB LEU 40 4.793 -2.936 7.488 291 HB3 LEU 40 2HB LEU 40 4.248 -1.281 7.751 292 HG LEU 40 HG LEU 40 3.453 -3.402 9.695 293 HD11 LEU 40 1HD1 LEU 40 5.630 -3.920 9.960 294 HD12 LEU 40 2HD1 LEU 40 5.658 -2.413 10.874 295 HD13 LEU 40 3HD1 LEU 40 6.191 -2.435 9.193 296 HD21 LEU 40 1HD2 LEU 40 2.730 -1.652 10.853 297 HD22 LEU 40 2HD2 LEU 40 3.126 -0.630 9.470 298 HD23 LEU 40 3HD2 LEU 40 4.310 -0.873 10.755 299 H LEU 41 H LEU 41 0.666 -2.734 8.751 300 HA LEU 41 HA LEU 41 -0.509 -0.253 7.828 301 HB2 LEU 41 1HB LEU 41 -1.455 -2.114 10.001 302 HB3 LEU 41 2HB LEU 41 -2.388 -0.832 9.231 303 HG LEU 41 HG LEU 41 -3.115 -2.969 8.398 304 HD11 LEU 41 1HD1 LEU 41 -2.671 -2.657 5.979 305 HD12 LEU 41 2HD1 LEU 41 -1.470 -1.435 6.393 306 HD13 LEU 41 3HD1 LEU 41 -3.166 -1.177 6.801 307 HD21 LEU 41 1HD2 LEU 41 -1.732 -4.605 7.481 308 HD22 LEU 41 2HD2 LEU 41 -0.831 -4.042 8.888 309 HD23 LEU 41 3HD2 LEU 41 -0.384 -3.486 7.275 310 HA PRO 42 HA PRO 42 0.990 2.377 11.010 311 HB2 PRO 42 1HB PRO 42 -1.099 4.088 11.281 312 HB3 PRO 42 2HB PRO 42 -0.019 4.106 9.882 313 HG2 PRO 42 1HG PRO 42 -2.734 2.877 10.162 314 HG3 PRO 42 2HG PRO 42 -2.062 3.809 8.812 315 HD2 PRO 42 1HD PRO 42 -2.209 1.106 8.786 316 HD3 PRO 42 2HD PRO 42 -0.908 1.999 7.973 317 H ASN 43 H ASN 43 -1.347 0.124 11.541 318 HA ASN 43 HA ASN 43 -2.083 1.028 14.214 319 HB2 ASN 43 1HB ASN 43 -3.406 -1.173 14.188 320 HB3 ASN 43 2HB ASN 43 -3.927 0.095 13.082 321 HD21 ASN 43 1HD2 ASN 43 -1.840 -2.758 13.243 322 HD22 ASN 43 2HD2 ASN 43 -2.130 -3.276 11.621 323 H GLY 44 H GLY 44 0.100 -1.137 12.637 324 HA2 GLY 44 1HA GLY 44 2.046 -1.709 14.104 325 HA3 GLY 44 2HA GLY 44 0.849 -2.266 15.264 326 H THR 45 H THR 45 -0.265 -2.994 12.232 327 HA THR 45 HA THR 45 0.795 -5.735 12.430 328 HB THR 45 HB THR 45 -1.670 -5.070 10.861 329 HG1 THR 45 1HG THR 45 -1.402 -5.185 13.671 330 HG21 THR 45 1HG2 THR 45 -1.306 -7.285 10.533 331 HG22 THR 45 2HG2 THR 45 -2.128 -7.422 12.087 332 HG23 THR 45 3HG2 THR 45 -0.367 -7.459 12.015 333 H VAL 46 H VAL 46 0.540 -6.876 10.160 334 HA VAL 46 HA VAL 46 1.136 -5.196 7.895 335 HB VAL 46 HB VAL 46 3.338 -5.225 8.888 336 HG11 VAL 46 1HG1 VAL 46 2.899 -8.192 9.032 337 HG12 VAL 46 2HG1 VAL 46 4.514 -7.482 9.086 338 HG13 VAL 46 3HG1 VAL 46 3.329 -7.076 10.328 339 HG21 VAL 46 1HG2 VAL 46 4.614 -6.245 7.062 340 HG22 VAL 46 2HG2 VAL 46 3.175 -7.127 6.550 341 HG23 VAL 46 3HG2 VAL 46 3.210 -5.366 6.456 342 H LEU 47 H LEU 47 0.546 -6.166 6.043 343 HA LEU 47 HA LEU 47 -0.104 -9.036 6.169 344 HB2 LEU 47 1HB LEU 47 -1.282 -6.894 4.405 345 HB3 LEU 47 2HB LEU 47 -1.741 -8.595 4.404 346 HG LEU 47 HG LEU 47 -2.047 -6.868 6.845 347 HD11 LEU 47 1HD1 LEU 47 -4.498 -6.805 6.076 348 HD12 LEU 47 2HD1 LEU 47 -3.853 -7.136 4.469 349 HD13 LEU 47 3HD1 LEU 47 -3.359 -5.681 5.334 350 HD21 LEU 47 1HD2 LEU 47 -4.041 -8.791 6.698 351 HD22 LEU 47 2HD2 LEU 47 -2.601 -8.840 7.715 352 HD23 LEU 47 3HD2 LEU 47 -2.591 -9.619 6.132 353 H SER 48 H SER 48 -0.161 -10.022 3.861 354 HA SER 48 HA SER 48 1.932 -8.989 2.124 355 HB2 SER 48 1HB SER 48 3.030 -11.284 2.089 356 HB3 SER 48 2HB SER 48 3.285 -10.333 3.552 357 HG SER 48 HG SER 48 1.425 -12.445 3.190 358 H HIS 49 H HIS 49 2.248 -10.831 0.300 359 HA HIS 49 HA HIS 49 -0.138 -10.853 -1.164 360 HB2 HIS 49 1HB HIS 49 2.313 -11.116 -1.966 361 HB3 HIS 49 2HB HIS 49 2.070 -12.833 -1.656 362 HD1 HIS 49 1HD HIS 49 0.107 -10.137 -3.509 363 HD2 HIS 49 2HD HIS 49 1.328 -14.087 -3.918 364 HE1 HIS 49 1HE HIS 49 -0.772 -10.884 -5.744 365 HE2 HIS 49 2HE HIS 49 -0.094 -13.302 -5.932 366 H ALA 50 H ALA 50 1.015 -12.967 1.277 367 HA ALA 50 HA ALA 50 -0.562 -15.246 0.499 368 HB1 ALA 50 1HB ALA 50 0.844 -16.273 1.870 369 HB2 ALA 50 2HB ALA 50 1.516 -14.718 2.364 370 HB3 ALA 50 3HB ALA 50 0.147 -15.405 3.238 371 H SER 51 H SER 51 -0.739 -12.858 3.139 372 HA SER 51 HA SER 51 -2.874 -13.575 4.562 373 HB2 SER 51 1HB SER 51 -2.490 -10.795 3.424 374 HB3 SER 51 2HB SER 51 -3.474 -11.199 4.831 375 HG SER 51 HG SER 51 -1.724 -11.414 6.006 376 H ARG 52 H ARG 52 -5.128 -13.456 4.472 377 HA ARG 52 HA ARG 52 -6.223 -13.371 1.741 378 HB2 ARG 52 1HB ARG 52 -6.880 -15.011 4.152 379 HB3 ARG 52 2HB ARG 52 -8.157 -14.654 2.997 380 HG2 ARG 52 1HG ARG 52 -6.820 -15.658 1.211 381 HG3 ARG 52 2HG ARG 52 -5.550 -16.027 2.380 382 HD2 ARG 52 1HD ARG 52 -7.111 -17.441 3.625 383 HD3 ARG 52 2HD ARG 52 -8.381 -17.067 2.460 384 HE ARG 52 HE ARG 52 -6.445 -18.086 0.897 385 HH11 ARG 52 2HH1 ARG 52 -7.911 -19.205 3.850 386 HH12 ARG 52 1HH1 ARG 52 -7.690 -20.882 3.477 387 HH21 ARG 52 2HH2 ARG 52 -6.147 -20.291 0.396 388 HH22 ARG 52 1HH2 ARG 52 -6.685 -21.499 1.513 389 H HIS 53 H HIS 53 -5.804 -11.040 3.419 390 HA HIS 53 HA HIS 53 -8.174 -10.197 4.678 391 HB2 HIS 53 1HB HIS 53 -5.742 -9.186 4.674 392 HB3 HIS 53 2HB HIS 53 -6.367 -8.227 3.335 393 HD1 HIS 53 1HD HIS 53 -8.684 -6.878 3.975 394 HD2 HIS 53 2HD HIS 53 -6.243 -8.106 7.104 395 HE1 HIS 53 1HE HIS 53 -9.371 -5.483 5.950 396 HE2 HIS 53 2HE HIS 53 -7.822 -6.183 7.809 397 HA PRO 54 HA PRO 54 -10.775 -9.530 1.159 398 HB2 PRO 54 1HB PRO 54 -12.741 -8.172 2.448 399 HB3 PRO 54 2HB PRO 54 -12.531 -9.921 2.588 400 HG2 PRO 54 1HG PRO 54 -11.662 -7.753 4.460 401 HG3 PRO 54 2HG PRO 54 -12.410 -9.317 4.831 402 HD2 PRO 54 1HD PRO 54 -9.749 -8.882 5.074 403 HD3 PRO 54 2HD PRO 54 -10.420 -10.461 4.620 404 H ARG 55 H ARG 55 -10.442 -6.773 3.407 405 HA ARG 55 HA ARG 55 -10.869 -4.832 1.360 406 HB2 ARG 55 1HB ARG 55 -10.156 -4.787 4.247 407 HB3 ARG 55 2HB ARG 55 -9.761 -3.360 3.297 408 HG2 ARG 55 1HG ARG 55 -12.164 -3.341 2.541 409 HG3 ARG 55 2HG ARG 55 -12.468 -4.575 3.765 410 HD2 ARG 55 1HD ARG 55 -12.827 -2.044 4.317 411 HD3 ARG 55 2HD ARG 55 -12.109 -3.125 5.511 412 HE ARG 55 HE ARG 55 -10.791 -0.978 4.081 413 HH11 ARG 55 2HH1 ARG 55 -10.445 -3.829 6.048 414 HH12 ARG 55 1HH1 ARG 55 -8.850 -3.421 6.589 415 HH21 ARG 55 2HH2 ARG 55 -8.692 -0.430 4.785 416 HH22 ARG 55 1HH2 ARG 55 -7.854 -1.487 5.871 417 H ILE 56 H ILE 56 -7.985 -5.328 3.400 418 HA ILE 56 HA ILE 56 -6.279 -3.957 1.580 419 HB ILE 56 HB ILE 56 -5.547 -5.790 3.866 420 HG12 ILE 56 1HG1 ILE 56 -5.573 -2.773 3.843 421 HG13 ILE 56 2HG1 ILE 56 -6.951 -3.726 4.380 422 HG21 ILE 56 1HG2 ILE 56 -3.942 -3.996 2.093 423 HG22 ILE 56 2HG2 ILE 56 -3.427 -4.302 3.751 424 HG23 ILE 56 3HG2 ILE 56 -3.602 -5.644 2.620 425 HD11 ILE 56 1HD1 ILE 56 -5.658 -4.681 6.161 426 HD12 ILE 56 2HD1 ILE 56 -4.197 -3.886 5.576 427 HD13 ILE 56 3HD1 ILE 56 -5.526 -2.924 6.222 428 H SER 57 H SER 57 -6.202 -4.867 -0.422 429 HA SER 57 HA SER 57 -5.401 -7.693 -0.603 430 HB2 SER 57 1HB SER 57 -6.879 -5.870 -2.485 431 HB3 SER 57 2HB SER 57 -6.082 -7.326 -3.080 432 HG SER 57 HG SER 57 -8.447 -7.127 -1.910 433 H VAL 58 H VAL 58 -3.446 -8.217 -1.349 434 HA VAL 58 HA VAL 58 -1.724 -6.050 -2.332 435 HB VAL 58 HB VAL 58 -0.964 -8.760 -1.233 436 HG11 VAL 58 1HG1 VAL 58 1.222 -8.319 -1.665 437 HG12 VAL 58 2HG1 VAL 58 0.507 -7.412 -2.999 438 HG13 VAL 58 3HG1 VAL 58 1.011 -6.573 -1.531 439 HG21 VAL 58 1HG2 VAL 58 -0.321 -7.668 0.757 440 HG22 VAL 58 2HG2 VAL 58 -0.491 -6.071 0.029 441 HG23 VAL 58 3HG2 VAL 58 -1.923 -7.042 0.369 442 H LEU 59 H LEU 59 -2.091 -5.973 -4.503 443 HA LEU 59 HA LEU 59 -2.475 -8.209 -6.172 444 HB2 LEU 59 1HB LEU 59 -1.388 -5.515 -6.966 445 HB3 LEU 59 2HB LEU 59 -2.177 -6.691 -8.015 446 HG LEU 59 HG LEU 59 -3.449 -5.020 -5.853 447 HD11 LEU 59 1HD1 LEU 59 -3.017 -3.906 -8.004 448 HD12 LEU 59 2HD1 LEU 59 -4.739 -4.090 -7.673 449 HD13 LEU 59 3HD1 LEU 59 -3.942 -5.164 -8.823 450 HD21 LEU 59 1HD2 LEU 59 -4.334 -7.335 -5.866 451 HD22 LEU 59 2HD2 LEU 59 -4.748 -7.133 -7.568 452 HD23 LEU 59 3HD2 LEU 59 -5.527 -6.128 -6.345 453 H ASN 60 H ASN 60 -1.029 -8.905 -7.929 454 HA ASN 60 HA ASN 60 1.386 -9.891 -7.008 455 HB2 ASN 60 1HB ASN 60 0.376 -9.407 -9.809 456 HB3 ASN 60 2HB ASN 60 1.926 -10.183 -9.493 457 HD21 ASN 60 1HD2 ASN 60 -0.939 -10.946 -10.479 458 HD22 ASN 60 2HD2 ASN 60 -1.208 -12.459 -9.688 459 H ASP 61 H ASP 61 1.137 -7.401 -9.549 460 HA ASP 61 HA ASP 61 3.658 -6.542 -9.767 461 HB2 ASP 61 1HB ASP 61 1.177 -4.832 -9.576 462 HB3 ASP 61 2HB ASP 61 2.745 -4.197 -10.064 463 H GLY 62 H GLY 62 1.527 -5.795 -7.055 464 HA2 GLY 62 1HA GLY 62 2.697 -5.689 -4.866 465 HA3 GLY 62 2HA GLY 62 3.864 -4.642 -5.659 466 H THR 63 H THR 63 0.347 -4.568 -5.988 467 HA THR 63 HA THR 63 0.398 -1.829 -4.907 468 HB THR 63 HB THR 63 -1.586 -3.072 -6.823 469 HG1 THR 63 1HG THR 63 -0.597 -1.724 -8.340 470 HG21 THR 63 1HG2 THR 63 -2.969 -1.438 -6.196 471 HG22 THR 63 2HG2 THR 63 -1.803 -0.281 -6.837 472 HG23 THR 63 3HG2 THR 63 -1.746 -0.741 -5.136 473 H LEU 64 H LEU 64 -0.959 -1.248 -3.280 474 HA LEU 64 HA LEU 64 -2.415 -3.421 -1.965 475 HB2 LEU 64 1HB LEU 64 -0.677 -1.817 -0.855 476 HB3 LEU 64 2HB LEU 64 -2.042 -0.705 -0.779 477 HG LEU 64 HG LEU 64 -3.289 -2.415 0.527 478 HD11 LEU 64 1HD1 LEU 64 -0.707 -3.889 0.194 479 HD12 LEU 64 2HD1 LEU 64 -2.360 -4.470 -0.001 480 HD13 LEU 64 3HD1 LEU 64 -1.721 -4.156 1.612 481 HD21 LEU 64 1HD2 LEU 64 -1.835 -0.537 1.490 482 HD22 LEU 64 2HD2 LEU 64 -0.676 -1.811 1.873 483 HD23 LEU 64 3HD2 LEU 64 -2.297 -1.855 2.567 484 H ASN 65 H ASN 65 -4.455 -3.598 -2.644 485 HA ASN 65 HA ASN 65 -5.979 -1.200 -3.316 486 HB2 ASN 65 1HB ASN 65 -6.126 -2.981 -4.932 487 HB3 ASN 65 2HB ASN 65 -6.566 -4.143 -3.684 488 HD21 ASN 65 1HD2 ASN 65 -7.706 -2.066 -6.029 489 HD22 ASN 65 2HD2 ASN 65 -9.370 -2.032 -5.567 490 H PHE 66 H PHE 66 -8.027 -0.753 -2.400 491 HA PHE 66 HA PHE 66 -8.637 -2.148 0.111 492 HB2 PHE 66 1HB PHE 66 -8.465 0.848 -0.262 493 HB3 PHE 66 2HB PHE 66 -9.152 0.063 1.156 494 HD1 PHE 66 1HD PHE 66 -6.031 0.317 -0.838 495 HD2 PHE 66 2HD PHE 66 -7.793 -0.534 2.941 496 HE1 PHE 66 1HE PHE 66 -3.792 0.206 0.177 497 HE2 PHE 66 2HE PHE 66 -5.558 -0.645 3.963 498 HZ PHE 66 HZ PHE 66 -3.553 -0.274 2.581 499 H SER 67 H SER 67 -10.397 -3.177 -0.811 500 HA SER 67 HA SER 67 -12.293 -2.379 -2.525 501 HB2 SER 67 1HB SER 67 -12.318 -4.561 -1.364 502 HB3 SER 67 2HB SER 67 -12.904 -3.765 0.097 503 HG SER 67 HG SER 67 -14.761 -3.141 -1.094 504 H HIS 68 H HIS 68 -12.342 -1.578 0.941 505 HA HIS 68 HA HIS 68 -13.726 0.901 0.349 506 HB2 HIS 68 1HB HIS 68 -15.599 0.514 1.798 507 HB3 HIS 68 2HB HIS 68 -15.523 -0.826 0.657 508 HD1 HIS 68 1HD HIS 68 -14.355 -3.070 1.667 509 HD2 HIS 68 2HD HIS 68 -15.685 -0.243 4.405 510 HE1 HIS 68 1HE HIS 68 -14.510 -4.284 3.864 511 HE2 HIS 68 2HE HIS 68 -15.398 -2.575 5.488 512 H VAL 69 H VAL 69 -12.391 2.291 1.308 513 HA VAL 69 HA VAL 69 -10.850 1.632 3.625 514 HB VAL 69 HB VAL 69 -10.223 4.066 3.582 515 HG11 VAL 69 1HG1 VAL 69 -9.912 2.664 0.932 516 HG12 VAL 69 2HG1 VAL 69 -8.833 3.869 1.638 517 HG13 VAL 69 3HG1 VAL 69 -8.980 2.274 2.377 518 HG21 VAL 69 1HG2 VAL 69 -11.158 4.637 0.947 519 HG22 VAL 69 2HG2 VAL 69 -12.537 4.235 1.971 520 HG23 VAL 69 3HG2 VAL 69 -11.439 5.533 2.440 521 H LEU 70 H LEU 70 -10.924 2.747 5.667 522 HA LEU 70 HA LEU 70 -13.563 3.852 6.349 523 HB2 LEU 70 1HB LEU 70 -12.014 2.072 8.205 524 HB3 LEU 70 2HB LEU 70 -13.691 2.595 8.338 525 HG LEU 70 HG LEU 70 -12.809 0.830 6.081 526 HD11 LEU 70 1HD1 LEU 70 -12.675 -1.011 7.336 527 HD12 LEU 70 2HD1 LEU 70 -14.041 -0.534 8.345 528 HD13 LEU 70 3HD1 LEU 70 -12.429 0.091 8.691 529 HD21 LEU 70 1HD2 LEU 70 -14.957 1.553 5.672 530 HD22 LEU 70 2HD2 LEU 70 -15.378 1.616 7.384 531 HD23 LEU 70 3HD2 LEU 70 -15.256 0.060 6.561 532 H LEU 71 H LEU 71 -13.574 5.193 8.283 533 HA LEU 71 HA LEU 71 -11.672 7.179 8.296 534 HB2 LEU 71 1HB LEU 71 -13.481 6.247 10.515 535 HB3 LEU 71 2HB LEU 71 -12.527 7.727 10.593 536 HG LEU 71 HG LEU 71 -14.642 7.184 8.513 537 HD11 LEU 71 1HD1 LEU 71 -15.666 7.280 10.710 538 HD12 LEU 71 2HD1 LEU 71 -16.036 8.742 9.796 539 HD13 LEU 71 3HD1 LEU 71 -14.811 8.781 11.065 540 HD21 LEU 71 1HD2 LEU 71 -14.000 9.938 9.098 541 HD22 LEU 71 2HD2 LEU 71 -14.008 9.087 7.553 542 HD23 LEU 71 3HD2 LEU 71 -12.573 9.042 8.578 543 H SER 72 H SER 72 -11.696 4.160 10.082 544 HA SER 72 HA SER 72 -9.516 4.812 11.799 545 HB2 SER 72 1HB SER 72 -10.698 2.142 11.004 546 HB3 SER 72 2HB SER 72 -9.472 2.354 12.254 547 HG SER 72 HG SER 72 -11.084 3.908 13.172 548 H ASP 73 H ASP 73 -9.799 3.580 8.571 549 HA ASP 73 HA ASP 73 -7.251 2.393 8.326 550 HB2 ASP 73 1HB ASP 73 -9.017 3.649 6.214 551 HB3 ASP 73 2HB ASP 73 -7.608 2.646 5.883 552 H THR 74 H THR 74 -8.256 5.661 8.478 553 HA THR 74 HA THR 74 -6.335 6.976 6.960 554 HB THR 74 HB THR 74 -7.565 7.862 9.577 555 HG1 THR 74 1HG THR 74 -9.263 8.198 8.375 556 HG21 THR 74 1HG2 THR 74 -5.395 9.005 8.477 557 HG22 THR 74 2HG2 THR 74 -6.643 9.921 9.323 558 HG23 THR 74 3HG2 THR 74 -6.658 9.828 7.562 559 H GLY 75 H GLY 75 -4.201 7.244 7.137 560 HA2 GLY 75 1HA GLY 75 -2.667 7.730 9.328 561 HA3 GLY 75 2HA GLY 75 -2.784 5.977 9.303 562 H VAL 76 H VAL 76 -0.652 5.566 8.848 563 HA VAL 76 HA VAL 76 0.238 6.372 6.158 564 HB VAL 76 HB VAL 76 1.999 6.129 8.602 565 HG11 VAL 76 1HG1 VAL 76 3.825 6.334 7.283 566 HG12 VAL 76 2HG1 VAL 76 2.763 5.592 6.085 567 HG13 VAL 76 3HG1 VAL 76 2.993 7.341 6.100 568 HG21 VAL 76 1HG2 VAL 76 0.433 8.175 8.301 569 HG22 VAL 76 2HG2 VAL 76 2.132 8.441 8.693 570 HG23 VAL 76 3HG2 VAL 76 1.567 8.641 7.034 571 H TYR 77 H TYR 77 0.954 4.769 4.883 572 HA TYR 77 HA TYR 77 1.205 2.094 6.085 573 HB2 TYR 77 1HB TYR 77 0.435 2.909 3.277 574 HB3 TYR 77 2HB TYR 77 0.691 1.245 3.790 575 HD1 TYR 77 2HD TYR 77 -1.272 4.248 4.854 576 HD2 TYR 77 1HD TYR 77 -1.176 0.023 4.360 577 HE1 TYR 77 2HE TYR 77 -3.620 4.116 5.576 578 HE2 TYR 77 1HE TYR 77 -3.524 -0.121 5.080 579 HH TYR 77 HH TYR 77 -5.226 2.649 6.357 580 H THR 78 H THR 78 3.075 1.022 5.930 581 HA THR 78 HA THR 78 5.202 2.215 4.276 582 HB THR 78 HB THR 78 5.640 0.421 6.662 583 HG1 THR 78 1HG THR 78 5.122 3.173 6.513 584 HG21 THR 78 1HG2 THR 78 7.744 2.229 6.318 585 HG22 THR 78 2HG2 THR 78 7.335 1.678 4.693 586 HG23 THR 78 3HG2 THR 78 7.750 0.506 5.944 587 H CYS 79 H CYS 79 5.460 1.101 2.453 588 HA CYS 79 HA CYS 79 4.914 -1.753 2.373 589 HB2 CYS 79 1HB CYS 79 4.113 -0.262 0.558 590 HB3 CYS 79 2HB CYS 79 5.785 0.107 0.152 591 HG CYS 79 HG CYS 79 5.725 -1.685 -1.695 592 H MET 80 H MET 80 6.423 -3.263 2.586 593 HA MET 80 HA MET 80 9.231 -2.460 2.592 594 HB2 MET 80 1HB MET 80 8.170 -5.182 3.317 595 HB3 MET 80 2HB MET 80 9.679 -4.430 3.816 596 HG2 MET 80 1HG MET 80 8.426 -2.819 5.164 597 HG3 MET 80 2HG MET 80 6.920 -3.591 4.673 598 HE1 MET 80 1HE MET 80 6.422 -5.383 7.841 599 HE2 MET 80 2HE MET 80 6.727 -3.652 7.694 600 HE3 MET 80 3HE MET 80 5.791 -4.492 6.456 601 H VAL 81 H VAL 81 10.768 -3.304 1.240 602 HA VAL 81 HA VAL 81 9.874 -5.197 -0.824 603 HB VAL 81 HB VAL 81 11.428 -2.657 -1.327 604 HG11 VAL 81 1HG1 VAL 81 10.659 -3.968 -3.726 605 HG12 VAL 81 2HG1 VAL 81 12.284 -3.607 -3.141 606 HG13 VAL 81 3HG1 VAL 81 11.509 -5.132 -2.711 607 HG21 VAL 81 1HG2 VAL 81 9.359 -2.556 -3.022 608 HG22 VAL 81 2HG2 VAL 81 8.614 -3.480 -1.718 609 HG23 VAL 81 3HG2 VAL 81 9.297 -1.887 -1.392 610 H THR 82 H THR 82 11.126 -6.931 -0.756 611 HA THR 82 HA THR 82 13.949 -6.605 0.029 612 HB THR 82 HB THR 82 12.279 -9.110 0.306 613 HG1 THR 82 1HG THR 82 12.647 -8.429 2.652 614 HG21 THR 82 1HG2 THR 82 14.622 -9.618 0.120 615 HG22 THR 82 2HG2 THR 82 14.152 -9.792 1.811 616 HG23 THR 82 3HG2 THR 82 15.034 -8.359 1.283 617 H ASN 83 H ASN 83 15.372 -6.930 -1.539 618 HA ASN 83 HA ASN 83 14.748 -8.888 -3.641 619 HB2 ASN 83 1HB ASN 83 14.337 -6.656 -4.561 620 HB3 ASN 83 2HB ASN 83 15.953 -6.147 -4.078 621 HD21 ASN 83 1HD2 ASN 83 14.076 -7.979 -6.330 622 HD22 ASN 83 2HD2 ASN 83 15.348 -8.293 -7.456 623 H VAL 84 H VAL 84 16.352 -10.274 -4.090 624 HA VAL 84 HA VAL 84 18.444 -10.870 -2.544 625 HB VAL 84 HB VAL 84 17.878 -12.225 -4.479 626 HG11 VAL 84 1HG1 VAL 84 18.525 -11.614 -6.729 627 HG12 VAL 84 2HG1 VAL 84 17.481 -10.363 -6.051 628 HG13 VAL 84 3HG1 VAL 84 19.224 -10.103 -6.148 629 HG21 VAL 84 1HG2 VAL 84 20.580 -11.489 -3.750 630 HG22 VAL 84 2HG2 VAL 84 19.896 -13.081 -4.075 631 HG23 VAL 84 3HG2 VAL 84 20.492 -12.089 -5.406 632 H ALA 85 H ALA 85 18.575 -8.482 -5.167 633 HA ALA 85 HA ALA 85 21.296 -7.825 -4.898 634 HB1 ALA 85 1HB ALA 85 20.918 -6.241 -6.482 635 HB2 ALA 85 2HB ALA 85 19.450 -7.194 -6.705 636 HB3 ALA 85 3HB ALA 85 19.402 -5.711 -5.752 637 H GLY 86 H GLY 86 18.425 -6.059 -3.708 638 HA2 GLY 86 1HA GLY 86 19.879 -5.316 -1.304 639 HA3 GLY 86 2HA GLY 86 19.462 -3.984 -2.373 640 H ASN 87 H ASN 87 18.474 -3.770 0.059 641 HA ASN 87 HA ASN 87 15.657 -4.598 -0.201 642 HB2 ASN 87 1HB ASN 87 17.173 -4.128 2.376 643 HB3 ASN 87 2HB ASN 87 15.506 -4.678 2.227 644 HD21 ASN 87 1HD2 ASN 87 15.655 -6.639 3.143 645 HD22 ASN 87 2HD2 ASN 87 16.654 -7.921 2.555 646 H SER 88 H SER 88 14.097 -3.070 0.076 647 HA SER 88 HA SER 88 14.821 -0.421 1.045 648 HB2 SER 88 1HB SER 88 13.640 -0.865 -1.708 649 HB3 SER 88 2HB SER 88 13.883 0.703 -0.939 650 HG SER 88 HG SER 88 16.185 -0.066 -0.793 651 H ASN 89 H ASN 89 12.751 1.035 0.891 652 HA ASN 89 HA ASN 89 10.254 -0.388 1.126 653 HB2 ASN 89 1HB ASN 89 9.800 0.197 3.435 654 HB3 ASN 89 2HB ASN 89 11.291 -0.737 3.358 655 HD21 ASN 89 1HD2 ASN 89 10.947 0.604 5.582 656 HD22 ASN 89 2HD2 ASN 89 11.936 2.020 5.648 657 H ALA 90 H ALA 90 8.425 1.033 1.336 658 HA ALA 90 HA ALA 90 9.027 3.868 0.820 659 HB1 ALA 90 1HB ALA 90 7.786 3.970 -1.078 660 HB2 ALA 90 2HB ALA 90 8.295 2.284 -1.189 661 HB3 ALA 90 3HB ALA 90 6.693 2.682 -0.567 662 H SER 91 H SER 91 7.180 5.312 1.216 663 HA SER 91 HA SER 91 5.237 4.222 3.133 664 HB2 SER 91 1HB SER 91 6.870 6.744 3.500 665 HB3 SER 91 2HB SER 91 5.534 6.250 4.539 666 HG SER 91 HG SER 91 8.071 5.071 4.223 667 H ALA 92 H ALA 92 3.392 5.716 3.513 668 HA ALA 92 HA ALA 92 2.863 7.873 1.754 669 HB1 ALA 92 1HB ALA 92 0.887 6.519 0.643 670 HB2 ALA 92 2HB ALA 92 2.505 6.532 -0.058 671 HB3 ALA 92 3HB ALA 92 1.979 5.161 0.918 672 H TYR 93 H TYR 93 0.807 8.840 2.123 673 HA TYR 93 HA TYR 93 -0.437 7.939 4.631 674 HB2 TYR 93 1HB TYR 93 0.598 10.222 4.578 675 HB3 TYR 93 2HB TYR 93 -0.592 10.681 3.365 676 HD1 TYR 93 1HD TYR 93 -0.245 9.477 6.862 677 HD2 TYR 93 2HD TYR 93 -2.728 11.417 4.003 678 HE1 TYR 93 1HE TYR 93 -1.826 10.074 8.649 679 HE2 TYR 93 2HE TYR 93 -4.315 12.020 5.782 680 HH TYR 93 HH TYR 93 -3.579 11.524 9.149 681 H LEU 94 H LEU 94 -2.726 8.036 4.851 682 HA LEU 94 HA LEU 94 -4.243 8.191 2.344 683 HB2 LEU 94 1HB LEU 94 -3.837 5.853 2.656 684 HB3 LEU 94 2HB LEU 94 -4.316 5.946 4.350 685 HG LEU 94 HG LEU 94 -6.631 6.623 3.418 686 HD11 LEU 94 1HD1 LEU 94 -6.751 5.162 1.148 687 HD12 LEU 94 2HD1 LEU 94 -5.156 5.896 0.982 688 HD13 LEU 94 3HD1 LEU 94 -6.579 6.917 1.191 689 HD21 LEU 94 1HD2 LEU 94 -6.113 4.514 4.571 690 HD22 LEU 94 2HD2 LEU 94 -5.611 3.810 3.034 691 HD23 LEU 94 3HD2 LEU 94 -7.290 4.295 3.276 692 H ASN 95 H ASN 95 -5.752 9.687 2.603 693 HA ASN 95 HA ASN 95 -6.787 10.247 5.280 694 HB2 ASN 95 1HB ASN 95 -5.997 12.182 4.066 695 HB3 ASN 95 2HB ASN 95 -7.004 11.776 2.680 696 HD21 ASN 95 1HD2 ASN 95 -7.254 14.234 3.609 697 HD22 ASN 95 2HD2 ASN 95 -8.728 14.439 4.487 698 H VAL 96 H VAL 96 -8.808 9.776 5.898 699 HA VAL 96 HA VAL 96 -10.715 8.875 3.840 700 HB VAL 96 HB VAL 96 -10.433 7.697 6.607 701 HG11 VAL 96 1HG1 VAL 96 -11.878 6.054 4.794 702 HG12 VAL 96 2HG1 VAL 96 -12.444 6.817 6.281 703 HG13 VAL 96 3HG1 VAL 96 -12.570 7.675 4.745 704 HG21 VAL 96 1HG2 VAL 96 -8.543 6.989 5.357 705 HG22 VAL 96 2HG2 VAL 96 -9.694 5.653 5.333 706 HG23 VAL 96 3HG2 VAL 96 -9.521 6.693 3.919 707 H SER 97 H SER 97 -12.609 9.894 3.854 708 HA SER 97 HA SER 97 -13.414 11.322 6.303 709 HB2 SER 97 1HB SER 97 -12.581 12.790 4.388 710 HB3 SER 97 2HB SER 97 -14.025 12.288 3.509 711 HG SER 97 HG SER 97 -14.057 13.496 6.077 712 H SER 98 H SER 98 -15.404 10.913 7.032 713 HA SER 98 HA SER 98 -16.952 8.816 6.068 714 HB2 SER 98 1HB SER 98 -17.271 9.468 8.328 715 HB3 SER 98 2HB SER 98 -17.629 11.135 7.876 716 HG SER 98 HG SER 98 -19.273 9.127 6.850 717 H GLY 99 H GLY 99 -18.754 8.657 4.782 718 HA2 GLY 99 1HA GLY 99 -19.085 10.747 2.817 719 HA3 GLY 99 2HA GLY 99 -19.890 9.185 2.828 720 HA PRO 100 HA PRO 100 -22.770 12.703 4.152 721 HB2 PRO 100 1HB PRO 100 -24.385 12.670 1.970 722 HB3 PRO 100 2HB PRO 100 -22.944 13.687 2.083 723 HG2 PRO 100 1HG PRO 100 -23.298 11.049 0.713 724 HG3 PRO 100 2HG PRO 100 -22.451 12.500 0.145 725 HD2 PRO 100 1HD PRO 100 -21.150 10.371 1.196 726 HD3 PRO 100 2HD PRO 100 -20.564 12.036 1.384 727 H SER 101 H SER 101 -23.438 9.696 2.384 728 HA SER 101 HA SER 101 -25.856 9.302 3.996 729 HB2 SER 101 1HB SER 101 -25.963 9.088 1.486 730 HB3 SER 101 2HB SER 101 -24.930 7.666 1.627 731 HG SER 101 HG SER 101 -27.205 7.751 3.228 732 H SER 102 H SER 102 -26.093 7.628 5.397 733 HA SER 102 HA SER 102 -23.730 5.917 5.814 734 HB2 SER 102 1HB SER 102 -24.532 7.677 7.610 735 HB3 SER 102 2HB SER 102 -25.707 6.423 8.003 736 HG SER 102 HG SER 102 -23.587 5.073 7.916 737 H GLY 103 H GLY 103 -23.989 3.768 5.738 738 HA2 GLY 103 1HA GLY 103 -26.753 2.721 5.757 739 HA3 GLY 103 2HA GLY 103 -25.553 2.164 4.600 Start of MODEL 16 1 H1 GLY 1 H GLY 1 12.158 13.845 -20.789 2 HA2 GLY 1 1HA GLY 1 13.707 13.411 -19.136 3 HA3 GLY 1 2HA GLY 1 12.477 13.814 -17.947 4 H SER 2 H SER 2 13.153 12.078 -16.629 5 HA SER 2 HA SER 2 11.886 9.568 -17.327 6 HB2 SER 2 1HB SER 2 14.227 9.403 -18.231 7 HB3 SER 2 2HB SER 2 14.818 9.585 -16.580 8 HG SER 2 HG SER 2 13.909 7.381 -17.811 9 H SER 3 H SER 3 10.967 8.678 -15.588 10 HA SER 3 HA SER 3 10.521 9.823 -13.223 11 HB2 SER 3 1HB SER 3 10.746 6.959 -14.004 12 HB3 SER 3 2HB SER 3 10.634 7.322 -12.282 13 HG SER 3 HG SER 3 8.841 8.566 -14.035 14 H GLY 4 H GLY 4 13.344 7.761 -13.872 15 HA2 GLY 4 1HA GLY 4 15.174 9.217 -12.403 16 HA3 GLY 4 2HA GLY 4 14.462 8.078 -11.269 17 H SER 5 H SER 5 17.214 8.269 -12.274 18 HA SER 5 HA SER 5 17.477 5.826 -13.861 19 HB2 SER 5 1HB SER 5 19.477 7.948 -13.062 20 HB3 SER 5 2HB SER 5 19.911 6.483 -13.942 21 HG SER 5 HG SER 5 18.610 8.753 -14.813 22 H SER 6 H SER 6 18.895 7.231 -10.906 23 HA SER 6 HA SER 6 19.493 4.505 -9.982 24 HB2 SER 6 1HB SER 6 21.054 5.593 -8.395 25 HB3 SER 6 2HB SER 6 21.435 5.983 -10.072 26 HG SER 6 HG SER 6 19.906 7.635 -8.343 27 H GLY 7 H GLY 7 19.333 4.205 -7.562 28 HA2 GLY 7 1HA GLY 7 18.116 5.425 -5.616 29 HA3 GLY 7 2HA GLY 7 16.736 5.268 -6.693 30 HA PRO 8 HA PRO 8 16.729 1.568 -3.942 31 HB2 PRO 8 1HB PRO 8 14.037 1.565 -3.588 32 HB3 PRO 8 2HB PRO 8 15.135 2.532 -2.596 33 HG2 PRO 8 1HG PRO 8 13.471 3.365 -4.940 34 HG3 PRO 8 2HG PRO 8 13.737 4.206 -3.402 35 HD2 PRO 8 1HD PRO 8 15.045 4.879 -5.675 36 HD3 PRO 8 2HD PRO 8 15.780 5.040 -4.067 37 H PHE 9 H PHE 9 14.808 -0.246 -4.147 38 HA PHE 9 HA PHE 9 14.906 -1.022 -6.971 39 HB2 PHE 9 1HB PHE 9 14.661 -2.552 -4.402 40 HB3 PHE 9 2HB PHE 9 14.142 -3.285 -5.916 41 HD1 PHE 9 1HD PHE 9 15.764 -3.758 -7.687 42 HD2 PHE 9 2HD PHE 9 16.973 -2.223 -3.905 43 HE1 PHE 9 1HE PHE 9 18.087 -4.414 -8.167 44 HE2 PHE 9 2HE PHE 9 19.297 -2.876 -4.379 45 HZ PHE 9 HZ PHE 9 19.857 -3.972 -6.513 46 H ILE 10 H ILE 10 13.017 0.929 -6.228 47 HA ILE 10 HA ILE 10 10.511 -0.566 -6.634 48 HB ILE 10 HB ILE 10 10.847 1.984 -5.050 49 HG12 ILE 10 1HG1 ILE 10 9.764 -0.596 -3.974 50 HG13 ILE 10 2HG1 ILE 10 11.505 -0.362 -4.083 51 HG21 ILE 10 1HG2 ILE 10 8.672 1.301 -6.518 52 HG22 ILE 10 2HG2 ILE 10 8.290 0.545 -4.972 53 HG23 ILE 10 3HG2 ILE 10 8.619 2.276 -5.049 54 HD11 ILE 10 1HD1 ILE 10 11.369 1.573 -2.651 55 HD12 ILE 10 2HD1 ILE 10 9.610 1.447 -2.606 56 HD13 ILE 10 3HD1 ILE 10 10.603 0.189 -1.871 57 H MET 11 H MET 11 10.553 -0.321 -8.864 58 HA MET 11 HA MET 11 11.206 1.717 -10.471 59 HB2 MET 11 1HB MET 11 8.610 0.182 -10.688 60 HB3 MET 11 2HB MET 11 9.398 1.054 -11.995 61 HG2 MET 11 1HG MET 11 10.564 -1.303 -10.532 62 HG3 MET 11 2HG MET 11 9.770 -1.367 -12.103 63 HE1 MET 11 1HE MET 11 11.818 -2.293 -13.645 64 HE2 MET 11 2HE MET 11 13.465 -1.973 -13.102 65 HE3 MET 11 3HE MET 11 12.300 -2.709 -12.000 66 H ASP 12 H ASP 12 8.350 1.619 -8.416 67 HA ASP 12 HA ASP 12 8.076 4.508 -8.726 68 HB2 ASP 12 1HB ASP 12 6.537 3.349 -10.376 69 HB3 ASP 12 2HB ASP 12 5.669 2.704 -8.986 70 H ALA 13 H ALA 13 7.745 5.465 -6.825 71 HA ALA 13 HA ALA 13 7.163 3.776 -4.508 72 HB1 ALA 13 1HB ALA 13 9.156 5.334 -4.581 73 HB2 ALA 13 2HB ALA 13 8.003 6.663 -4.454 74 HB3 ALA 13 3HB ALA 13 8.115 5.467 -3.163 75 HA PRO 14 HA PRO 14 3.028 5.239 -4.126 76 HB2 PRO 14 1HB PRO 14 2.658 4.791 -1.474 77 HB3 PRO 14 2HB PRO 14 2.705 3.490 -2.671 78 HG2 PRO 14 1HG PRO 14 4.862 4.451 -0.831 79 HG3 PRO 14 2HG PRO 14 4.401 2.789 -1.243 80 HD2 PRO 14 1HD PRO 14 6.528 4.032 -2.368 81 HD3 PRO 14 2HD PRO 14 5.553 2.830 -3.238 82 H ARG 15 H ARG 15 1.837 7.004 -3.395 83 HA ARG 15 HA ARG 15 3.273 8.973 -1.748 84 HB2 ARG 15 1HB ARG 15 2.612 10.771 -3.191 85 HB3 ARG 15 2HB ARG 15 3.404 9.550 -4.178 86 HG2 ARG 15 1HG ARG 15 1.472 8.965 -5.257 87 HG3 ARG 15 2HG ARG 15 0.442 9.479 -3.919 88 HD2 ARG 15 1HD ARG 15 2.009 11.368 -5.666 89 HD3 ARG 15 2HD ARG 15 0.323 10.935 -5.948 90 HE ARG 15 HE ARG 15 0.453 11.821 -3.342 91 HH11 ARG 15 2HH1 ARG 15 1.130 13.119 -6.500 92 HH12 ARG 15 1HH1 ARG 15 0.752 14.750 -6.054 93 HH21 ARG 15 2HH2 ARG 15 -0.047 13.964 -2.742 94 HH22 ARG 15 1HH2 ARG 15 0.084 15.230 -3.916 95 H ASP 16 H ASP 16 1.717 10.772 -1.044 96 HA ASP 16 HA ASP 16 -0.302 9.675 0.531 97 HB2 ASP 16 1HB ASP 16 -0.046 12.539 -0.413 98 HB3 ASP 16 2HB ASP 16 -1.005 11.987 0.958 99 H LEU 17 H LEU 17 -2.456 9.363 0.290 100 HA LEU 17 HA LEU 17 -3.708 10.231 -2.223 101 HB2 LEU 17 1HB LEU 17 -3.155 7.953 -2.606 102 HB3 LEU 17 2HB LEU 17 -3.742 7.477 -1.014 103 HG LEU 17 HG LEU 17 -6.047 8.286 -1.919 104 HD11 LEU 17 1HD1 LEU 17 -4.361 8.551 -4.239 105 HD12 LEU 17 2HD1 LEU 17 -6.039 9.040 -4.006 106 HD13 LEU 17 3HD1 LEU 17 -5.665 7.400 -4.534 107 HD21 LEU 17 1HD2 LEU 17 -4.586 5.745 -2.452 108 HD22 LEU 17 2HD2 LEU 17 -6.193 5.967 -3.146 109 HD23 LEU 17 3HD2 LEU 17 -5.966 6.055 -1.399 110 H ASN 18 H ASN 18 -5.785 10.922 -2.057 111 HA ASN 18 HA ASN 18 -7.001 10.810 0.624 112 HB2 ASN 18 1HB ASN 18 -8.250 12.919 -0.296 113 HB3 ASN 18 2HB ASN 18 -6.604 13.075 0.312 114 HD21 ASN 18 1HD2 ASN 18 -6.405 14.970 -0.955 115 HD22 ASN 18 2HD2 ASN 18 -6.101 14.869 -2.654 116 H ILE 19 H ILE 19 -8.632 9.417 0.672 117 HA ILE 19 HA ILE 19 -10.550 9.428 -1.555 118 HB ILE 19 HB ILE 19 -9.236 7.444 -1.896 119 HG12 ILE 19 1HG1 ILE 19 -11.746 6.510 -0.512 120 HG13 ILE 19 2HG1 ILE 19 -11.792 7.378 -2.043 121 HG21 ILE 19 1HG2 ILE 19 -8.946 5.737 -0.193 122 HG22 ILE 19 2HG2 ILE 19 -8.300 7.279 0.366 123 HG23 ILE 19 3HG2 ILE 19 -9.859 6.708 0.961 124 HD11 ILE 19 1HD1 ILE 19 -11.669 4.688 -1.791 125 HD12 ILE 19 2HD1 ILE 19 -11.136 5.588 -3.211 126 HD13 ILE 19 3HD1 ILE 19 -9.964 5.091 -1.991 127 H SER 20 H SER 20 -12.688 8.675 -0.984 128 HA SER 20 HA SER 20 -13.416 9.509 1.694 129 HB2 SER 20 1HB SER 20 -14.678 10.160 -0.424 130 HB3 SER 20 2HB SER 20 -15.287 8.506 -0.453 131 HG SER 20 HG SER 20 -15.706 10.499 1.510 132 H GLU 21 H GLU 21 -15.171 8.197 2.824 133 HA GLU 21 HA GLU 21 -14.121 5.586 3.335 134 HB2 GLU 21 1HB GLU 21 -15.008 6.859 5.177 135 HB3 GLU 21 2HB GLU 21 -16.563 7.025 4.376 136 HG2 GLU 21 1HG GLU 21 -16.484 4.386 4.458 137 HG3 GLU 21 2HG GLU 21 -15.407 4.707 5.816 138 H GLY 22 H GLY 22 -14.970 3.598 2.851 139 HA2 GLY 22 1HA GLY 22 -16.311 2.022 1.834 140 HA3 GLY 22 2HA GLY 22 -17.553 3.255 1.673 141 H ARG 23 H ARG 23 -14.313 3.641 0.407 142 HA ARG 23 HA ARG 23 -15.380 3.292 -2.316 143 HB2 ARG 23 1HB ARG 23 -13.501 5.437 -1.315 144 HB3 ARG 23 2HB ARG 23 -13.848 5.142 -3.014 145 HG2 ARG 23 1HG ARG 23 -16.335 5.446 -2.222 146 HG3 ARG 23 2HG ARG 23 -15.567 6.334 -0.904 147 HD2 ARG 23 1HD ARG 23 -14.493 7.818 -2.465 148 HD3 ARG 23 2HD ARG 23 -15.075 6.866 -3.830 149 HE ARG 23 HE ARG 23 -16.522 8.862 -2.384 150 HH11 ARG 23 2HH1 ARG 23 -16.843 5.922 -4.219 151 HH12 ARG 23 1HH1 ARG 23 -18.472 6.252 -4.710 152 HH21 ARG 23 2HH2 ARG 23 -18.665 9.309 -3.023 153 HH22 ARG 23 1HH2 ARG 23 -19.507 8.179 -4.030 154 H MET 24 H MET 24 -13.492 3.153 -3.945 155 HA MET 24 HA MET 24 -11.695 1.079 -2.959 156 HB2 MET 24 1HB MET 24 -13.149 1.085 -5.174 157 HB3 MET 24 2HB MET 24 -11.747 1.927 -5.820 158 HG2 MET 24 1HG MET 24 -10.351 0.102 -5.520 159 HG3 MET 24 2HG MET 24 -11.422 -0.645 -4.336 160 HE1 MET 24 1HE MET 24 -10.239 -2.417 -7.105 161 HE2 MET 24 2HE MET 24 -10.826 -2.740 -5.473 162 HE3 MET 24 3HE MET 24 -11.687 -3.397 -6.867 163 H ALA 25 H ALA 25 -9.588 1.379 -2.610 164 HA ALA 25 HA ALA 25 -8.312 3.790 -3.725 165 HB1 ALA 25 1HB ALA 25 -8.872 3.397 -1.051 166 HB2 ALA 25 2HB ALA 25 -7.174 2.941 -1.192 167 HB3 ALA 25 3HB ALA 25 -7.704 4.539 -1.716 168 H GLU 26 H GLU 26 -5.912 3.643 -3.766 169 HA GLU 26 HA GLU 26 -4.731 1.014 -3.675 170 HB2 GLU 26 1HB GLU 26 -4.966 2.450 -6.326 171 HB3 GLU 26 2HB GLU 26 -4.052 0.976 -6.035 172 HG2 GLU 26 1HG GLU 26 -6.191 -0.125 -5.372 173 HG3 GLU 26 2HG GLU 26 -7.035 1.330 -5.898 174 H LEU 27 H LEU 27 -2.470 1.053 -3.726 175 HA LEU 27 HA LEU 27 -1.304 3.748 -3.504 176 HB2 LEU 27 1HB LEU 27 -0.716 1.164 -2.117 177 HB3 LEU 27 2HB LEU 27 0.531 2.403 -2.250 178 HG LEU 27 HG LEU 27 -2.151 3.036 -1.066 179 HD11 LEU 27 1HD1 LEU 27 -0.334 1.138 -0.023 180 HD12 LEU 27 2HD1 LEU 27 -1.777 1.808 0.738 181 HD13 LEU 27 3HD1 LEU 27 -0.213 2.592 0.968 182 HD21 LEU 27 1HD2 LEU 27 -0.588 4.855 -1.695 183 HD22 LEU 27 2HD2 LEU 27 0.597 4.177 -0.578 184 HD23 LEU 27 3HD2 LEU 27 -0.938 4.797 0.033 185 H LYS 28 H LYS 28 -0.270 4.278 -5.312 186 HA LYS 28 HA LYS 28 0.633 2.531 -7.285 187 HB2 LYS 28 1HB LYS 28 1.561 5.330 -6.620 188 HB3 LYS 28 2HB LYS 28 1.986 4.471 -8.094 189 HG2 LYS 28 1HG LYS 28 -0.889 4.792 -7.390 190 HG3 LYS 28 2HG LYS 28 -0.003 6.167 -8.052 191 HD2 LYS 28 1HD LYS 28 0.188 3.514 -9.408 192 HD3 LYS 28 2HD LYS 28 -1.259 4.499 -9.638 193 HE2 LYS 28 1HE LYS 28 1.492 5.635 -10.021 194 HE3 LYS 28 2HE LYS 28 0.670 4.763 -11.313 195 HZ1 LYS 28 1HZ LYS 28 -0.873 6.400 -11.565 196 HZ2 LYS 28 2HZ LYS 28 0.436 7.344 -11.059 197 HZ3 LYS 28 3HZ LYS 28 -0.777 6.919 -9.958 198 H CYS 29 H CYS 29 1.922 0.870 -6.639 199 HA CYS 29 HA CYS 29 4.663 1.558 -5.947 200 HB2 CYS 29 1HB CYS 29 3.472 1.219 -3.780 201 HB3 CYS 29 2HB CYS 29 3.087 -0.420 -4.290 202 HG CYS 29 HG CYS 29 5.969 -0.940 -4.613 203 H ARG 30 H ARG 30 6.008 0.405 -7.158 204 HA ARG 30 HA ARG 30 5.090 -2.204 -8.176 205 HB2 ARG 30 1HB ARG 30 6.764 -0.136 -9.613 206 HB3 ARG 30 2HB ARG 30 6.394 -1.741 -10.230 207 HG2 ARG 30 1HG ARG 30 3.918 -0.981 -9.879 208 HG3 ARG 30 2HG ARG 30 4.624 0.635 -9.943 209 HD2 ARG 30 1HD ARG 30 3.914 0.007 -12.152 210 HD3 ARG 30 2HD ARG 30 5.677 0.036 -12.105 211 HE ARG 30 HE ARG 30 4.669 -2.568 -11.571 212 HH11 ARG 30 2HH1 ARG 30 5.268 -0.295 -14.139 213 HH12 ARG 30 1HH1 ARG 30 5.453 -1.517 -15.353 214 HH21 ARG 30 2HH2 ARG 30 4.911 -4.185 -13.160 215 HH22 ARG 30 1HH2 ARG 30 5.250 -3.729 -14.796 216 H THR 31 H THR 31 6.484 -3.888 -8.051 217 HA THR 31 HA THR 31 9.202 -3.335 -7.056 218 HB THR 31 HB THR 31 8.970 -5.567 -5.814 219 HG1 THR 31 1HG THR 31 6.951 -6.135 -6.840 220 HG21 THR 31 1HG2 THR 31 8.695 -3.031 -4.977 221 HG22 THR 31 2HG2 THR 31 8.542 -4.420 -3.900 222 HG23 THR 31 3HG2 THR 31 7.098 -3.650 -4.557 223 HA PRO 32 HA PRO 32 10.689 -5.927 -10.275 224 HB2 PRO 32 1HB PRO 32 12.915 -6.959 -9.114 225 HB3 PRO 32 2HB PRO 32 12.802 -5.279 -9.651 226 HG2 PRO 32 1HG PRO 32 12.480 -6.414 -6.899 227 HG3 PRO 32 2HG PRO 32 13.346 -4.954 -7.413 228 HD2 PRO 32 1HD PRO 32 10.870 -4.871 -6.319 229 HD3 PRO 32 2HD PRO 32 11.415 -3.702 -7.538 230 HA PRO 33 HA PRO 33 9.509 -10.133 -9.771 231 HB2 PRO 33 1HB PRO 33 11.379 -11.482 -11.205 232 HB3 PRO 33 2HB PRO 33 10.124 -10.490 -11.956 233 HG2 PRO 33 1HG PRO 33 12.987 -9.819 -11.398 234 HG3 PRO 33 2HG PRO 33 12.022 -9.485 -12.848 235 HD2 PRO 33 1HD PRO 33 12.511 -7.608 -10.959 236 HD3 PRO 33 2HD PRO 33 11.007 -7.645 -11.902 237 H MET 34 H MET 34 9.807 -11.892 -8.462 238 HA MET 34 HA MET 34 10.670 -13.181 -6.800 239 HB2 MET 34 1HB MET 34 13.361 -12.362 -7.904 240 HB3 MET 34 2HB MET 34 13.023 -13.757 -6.888 241 HG2 MET 34 1HG MET 34 11.478 -14.530 -8.764 242 HG3 MET 34 2HG MET 34 12.271 -13.304 -9.751 243 HE1 MET 34 1HE MET 34 15.059 -13.859 -10.772 244 HE2 MET 34 2HE MET 34 14.857 -13.008 -9.241 245 HE3 MET 34 3HE MET 34 15.991 -14.354 -9.359 246 H SER 35 H SER 35 9.929 -10.641 -6.059 247 HA SER 35 HA SER 35 11.953 -9.974 -4.023 248 HB2 SER 35 1HB SER 35 11.340 -7.642 -4.177 249 HB3 SER 35 2HB SER 35 11.729 -8.219 -5.797 250 HG SER 35 HG SER 35 9.267 -8.650 -5.757 251 H SER 36 H SER 36 11.220 -9.487 -1.961 252 HA SER 36 HA SER 36 8.579 -10.542 -1.341 253 HB2 SER 36 1HB SER 36 10.869 -9.701 0.451 254 HB3 SER 36 2HB SER 36 9.353 -10.395 1.023 255 HG SER 36 HG SER 36 10.814 -11.761 -0.938 256 H VAL 37 H VAL 37 7.083 -9.005 -1.835 257 HA VAL 37 HA VAL 37 7.450 -6.285 -0.824 258 HB VAL 37 HB VAL 37 6.700 -6.343 -3.086 259 HG11 VAL 37 1HG1 VAL 37 5.819 -8.452 -3.460 260 HG12 VAL 37 2HG1 VAL 37 4.730 -8.355 -2.075 261 HG13 VAL 37 3HG1 VAL 37 4.388 -7.425 -3.534 262 HG21 VAL 37 1HG2 VAL 37 5.287 -4.657 -2.755 263 HG22 VAL 37 2HG2 VAL 37 4.044 -5.744 -2.135 264 HG23 VAL 37 3HG2 VAL 37 5.266 -5.089 -1.045 265 H LYS 38 H LYS 38 6.261 -5.406 0.784 266 HA LYS 38 HA LYS 38 3.971 -6.878 1.848 267 HB2 LYS 38 1HB LYS 38 6.354 -6.033 3.505 268 HB3 LYS 38 2HB LYS 38 4.832 -6.615 4.167 269 HG2 LYS 38 1HG LYS 38 5.219 -8.731 2.830 270 HG3 LYS 38 2HG LYS 38 6.858 -8.136 2.556 271 HD2 LYS 38 1HD LYS 38 7.218 -9.374 4.441 272 HD3 LYS 38 2HD LYS 38 6.793 -7.832 5.187 273 HE2 LYS 38 1HE LYS 38 4.399 -8.684 5.220 274 HE3 LYS 38 2HE LYS 38 5.066 -10.267 4.821 275 HZ1 LYS 38 1HZ LYS 38 5.121 -8.819 7.321 276 HZ2 LYS 38 2HZ LYS 38 6.595 -9.533 6.897 277 HZ3 LYS 38 3HZ LYS 38 5.202 -10.484 7.031 278 H TRP 39 H TRP 39 3.077 -5.506 3.818 279 HA TRP 39 HA TRP 39 3.376 -2.646 3.391 280 HB2 TRP 39 1HB TRP 39 0.855 -4.172 2.788 281 HB3 TRP 39 2HB TRP 39 0.795 -2.480 3.278 282 HD1 TRP 39 HD TRP 39 1.807 -4.722 0.363 283 HE1 TRP 39 1HE TRP 39 2.215 -3.253 -1.711 284 HE3 TRP 39 3HE TRP 39 1.526 -0.116 2.562 285 HZ2 TRP 39 2HZ TRP 39 2.394 -0.506 -2.332 286 HZ3 TRP 39 3HZ TRP 39 1.827 1.882 1.158 287 HH2 TRP 39 HH TRP 39 2.253 1.689 -1.238 288 H LEU 40 H LEU 40 3.488 -1.728 5.323 289 HA LEU 40 HA LEU 40 2.442 -3.145 7.648 290 HB2 LEU 40 1HB LEU 40 4.791 -2.099 7.433 291 HB3 LEU 40 2HB LEU 40 3.970 -0.567 7.725 292 HG LEU 40 HG LEU 40 3.571 -2.805 9.656 293 HD11 LEU 40 1HD1 LEU 40 5.617 -2.719 10.578 294 HD12 LEU 40 2HD1 LEU 40 5.810 -0.998 10.248 295 HD13 LEU 40 3HD1 LEU 40 6.115 -2.179 8.975 296 HD21 LEU 40 1HD2 LEU 40 4.001 0.069 10.323 297 HD22 LEU 40 2HD2 LEU 40 2.997 -1.138 11.127 298 HD23 LEU 40 3HD2 LEU 40 2.471 -0.427 9.600 299 H LEU 41 H LEU 41 1.015 -2.229 9.135 300 HA LEU 41 HA LEU 41 -0.560 0.023 8.081 301 HB2 LEU 41 1HB LEU 41 -1.482 -2.030 10.076 302 HB3 LEU 41 2HB LEU 41 -2.466 -0.866 9.191 303 HG LEU 41 HG LEU 41 -2.905 -2.926 8.173 304 HD11 LEU 41 1HD1 LEU 41 -0.700 -1.884 6.426 305 HD12 LEU 41 2HD1 LEU 41 -2.208 -0.999 6.653 306 HD13 LEU 41 3HD1 LEU 41 -2.233 -2.618 5.953 307 HD21 LEU 41 1HD2 LEU 41 -1.316 -4.590 7.632 308 HD22 LEU 41 2HD2 LEU 41 -0.932 -4.060 9.270 309 HD23 LEU 41 3HD2 LEU 41 0.037 -3.493 7.909 310 HA PRO 42 HA PRO 42 0.452 2.494 11.568 311 HB2 PRO 42 1HB PRO 42 -1.827 3.943 11.847 312 HB3 PRO 42 2HB PRO 42 -0.679 4.202 10.528 313 HG2 PRO 42 1HG PRO 42 -3.253 2.674 10.525 314 HG3 PRO 42 2HG PRO 42 -2.614 3.791 9.306 315 HD2 PRO 42 1HD PRO 42 -2.459 1.101 9.040 316 HD3 PRO 42 2HD PRO 42 -1.222 2.198 8.392 317 H ASN 43 H ASN 43 -1.616 -0.045 11.760 318 HA ASN 43 HA ASN 43 -2.549 0.530 14.473 319 HB2 ASN 43 1HB ASN 43 -4.079 -1.241 14.225 320 HB3 ASN 43 2HB ASN 43 -4.048 -0.470 12.642 321 HD21 ASN 43 1HD2 ASN 43 -4.980 -2.999 12.877 322 HD22 ASN 43 2HD2 ASN 43 -3.871 -4.115 12.162 323 H GLY 44 H GLY 44 -0.082 -1.144 12.809 324 HA2 GLY 44 1HA GLY 44 1.829 -1.902 14.085 325 HA3 GLY 44 2HA GLY 44 0.718 -2.430 15.339 326 H THR 45 H THR 45 0.321 -2.989 11.886 327 HA THR 45 HA THR 45 1.065 -5.798 12.225 328 HB THR 45 HB THR 45 -1.559 -5.015 10.950 329 HG1 THR 45 1HG THR 45 -1.433 -4.705 13.309 330 HG21 THR 45 1HG2 THR 45 -0.214 -7.627 11.588 331 HG22 THR 45 2HG2 THR 45 -0.861 -7.067 10.045 332 HG23 THR 45 3HG2 THR 45 -1.957 -7.516 11.352 333 H VAL 46 H VAL 46 1.035 -6.958 10.070 334 HA VAL 46 HA VAL 46 1.455 -5.200 7.777 335 HB VAL 46 HB VAL 46 3.546 -7.155 8.743 336 HG11 VAL 46 1HG1 VAL 46 4.100 -5.355 6.473 337 HG12 VAL 46 2HG1 VAL 46 4.607 -7.021 6.753 338 HG13 VAL 46 3HG1 VAL 46 2.983 -6.681 6.155 339 HG21 VAL 46 1HG2 VAL 46 3.281 -4.795 9.800 340 HG22 VAL 46 2HG2 VAL 46 4.881 -5.354 9.315 341 HG23 VAL 46 3HG2 VAL 46 3.989 -4.233 8.286 342 H LEU 47 H LEU 47 0.867 -6.099 5.871 343 HA LEU 47 HA LEU 47 0.005 -8.914 5.943 344 HB2 LEU 47 1HB LEU 47 -1.003 -6.622 4.265 345 HB3 LEU 47 2HB LEU 47 -1.539 -8.294 4.110 346 HG LEU 47 HG LEU 47 -1.871 -6.674 6.629 347 HD11 LEU 47 1HD1 LEU 47 -3.800 -7.086 4.350 348 HD12 LEU 47 2HD1 LEU 47 -3.102 -5.558 4.886 349 HD13 LEU 47 3HD1 LEU 47 -4.228 -6.427 5.929 350 HD21 LEU 47 1HD2 LEU 47 -3.119 -8.417 7.441 351 HD22 LEU 47 2HD2 LEU 47 -1.926 -9.296 6.483 352 HD23 LEU 47 3HD2 LEU 47 -3.541 -9.009 5.834 353 H SER 48 H SER 48 -0.044 -9.921 3.682 354 HA SER 48 HA SER 48 2.005 -8.976 1.868 355 HB2 SER 48 1HB SER 48 3.431 -10.902 2.011 356 HB3 SER 48 2HB SER 48 3.224 -10.284 3.649 357 HG SER 48 HG SER 48 1.406 -11.905 3.695 358 H HIS 49 H HIS 49 2.361 -10.979 0.199 359 HA HIS 49 HA HIS 49 -0.047 -11.180 -1.218 360 HB2 HIS 49 1HB HIS 49 2.412 -11.459 -2.022 361 HB3 HIS 49 2HB HIS 49 2.188 -13.152 -1.592 362 HD1 HIS 49 1HD HIS 49 0.085 -10.642 -3.551 363 HD2 HIS 49 2HD HIS 49 1.529 -14.529 -3.808 364 HE1 HIS 49 1HE HIS 49 -0.786 -11.540 -5.732 365 HE2 HIS 49 2HE HIS 49 0.030 -13.921 -5.826 366 H ALA 50 H ALA 50 0.942 -12.839 1.519 367 HA ALA 50 HA ALA 50 -0.500 -15.293 0.921 368 HB1 ALA 50 1HB ALA 50 0.331 -16.128 2.982 369 HB2 ALA 50 2HB ALA 50 1.657 -15.254 2.212 370 HB3 ALA 50 3HB ALA 50 0.763 -14.511 3.539 371 H SER 51 H SER 51 -0.696 -12.650 3.304 372 HA SER 51 HA SER 51 -2.848 -13.306 4.780 373 HB2 SER 51 1HB SER 51 -2.356 -10.589 3.536 374 HB3 SER 51 2HB SER 51 -3.413 -10.897 4.913 375 HG SER 51 HG SER 51 -0.768 -11.795 5.042 376 H ARG 52 H ARG 52 -5.070 -13.288 4.635 377 HA ARG 52 HA ARG 52 -6.137 -13.274 1.898 378 HB2 ARG 52 1HB ARG 52 -6.330 -15.326 3.435 379 HB3 ARG 52 2HB ARG 52 -7.532 -14.394 4.318 380 HG2 ARG 52 1HG ARG 52 -8.842 -14.177 2.237 381 HG3 ARG 52 2HG ARG 52 -7.661 -15.205 1.422 382 HD2 ARG 52 1HD ARG 52 -8.973 -16.151 3.934 383 HD3 ARG 52 2HD ARG 52 -9.849 -16.237 2.406 384 HE ARG 52 HE ARG 52 -7.520 -17.414 1.785 385 HH11 ARG 52 2HH1 ARG 52 -9.718 -17.859 4.448 386 HH12 ARG 52 1HH1 ARG 52 -9.336 -19.536 4.653 387 HH21 ARG 52 2HH2 ARG 52 -7.009 -19.622 2.044 388 HH22 ARG 52 1HH2 ARG 52 -7.795 -20.538 3.286 389 H HIS 53 H HIS 53 -5.676 -10.890 3.606 390 HA HIS 53 HA HIS 53 -8.058 -9.900 4.686 391 HB2 HIS 53 1HB HIS 53 -5.588 -8.972 4.715 392 HB3 HIS 53 2HB HIS 53 -6.147 -8.046 3.324 393 HD1 HIS 53 1HD HIS 53 -8.417 -6.587 3.843 394 HD2 HIS 53 2HD HIS 53 -6.138 -7.804 7.096 395 HE1 HIS 53 1HE HIS 53 -9.116 -5.101 5.747 396 HE2 HIS 53 2HE HIS 53 -7.663 -5.799 7.682 397 HA PRO 54 HA PRO 54 -10.506 -9.317 1.043 398 HB2 PRO 54 1HB PRO 54 -12.482 -7.859 2.202 399 HB3 PRO 54 2HB PRO 54 -12.324 -9.606 2.418 400 HG2 PRO 54 1HG PRO 54 -11.468 -7.388 4.237 401 HG3 PRO 54 2HG PRO 54 -12.272 -8.917 4.638 402 HD2 PRO 54 1HD PRO 54 -9.611 -8.540 4.967 403 HD3 PRO 54 2HD PRO 54 -10.307 -10.119 4.549 404 H ARG 55 H ARG 55 -10.189 -6.481 3.194 405 HA ARG 55 HA ARG 55 -10.496 -4.607 1.071 406 HB2 ARG 55 1HB ARG 55 -9.734 -4.438 3.959 407 HB3 ARG 55 2HB ARG 55 -9.469 -3.046 2.919 408 HG2 ARG 55 1HG ARG 55 -11.698 -2.645 2.646 409 HG3 ARG 55 2HG ARG 55 -12.143 -4.337 2.880 410 HD2 ARG 55 1HD ARG 55 -12.633 -2.515 4.724 411 HD3 ARG 55 2HD ARG 55 -12.167 -4.159 5.156 412 HE ARG 55 HE ARG 55 -9.885 -2.495 4.894 413 HH11 ARG 55 2HH1 ARG 55 -12.547 -3.216 7.019 414 HH12 ARG 55 1HH1 ARG 55 -11.707 -2.725 8.452 415 HH21 ARG 55 2HH2 ARG 55 -8.768 -1.846 6.774 416 HH22 ARG 55 1HH2 ARG 55 -9.557 -1.945 8.311 417 H ILE 56 H ILE 56 -7.672 -5.092 3.196 418 HA ILE 56 HA ILE 56 -5.889 -3.850 1.359 419 HB ILE 56 HB ILE 56 -5.129 -5.663 3.647 420 HG12 ILE 56 1HG1 ILE 56 -5.493 -2.668 3.772 421 HG13 ILE 56 2HG1 ILE 56 -6.745 -3.804 4.262 422 HG21 ILE 56 1HG2 ILE 56 -3.326 -3.568 3.433 423 HG22 ILE 56 2HG2 ILE 56 -3.076 -5.232 2.905 424 HG23 ILE 56 3HG2 ILE 56 -3.666 -4.024 1.764 425 HD11 ILE 56 1HD1 ILE 56 -3.991 -3.856 5.444 426 HD12 ILE 56 2HD1 ILE 56 -5.283 -2.842 6.087 427 HD13 ILE 56 3HD1 ILE 56 -5.468 -4.596 6.061 428 H SER 57 H SER 57 -5.652 -4.802 -0.586 429 HA SER 57 HA SER 57 -4.864 -7.642 -0.617 430 HB2 SER 57 1HB SER 57 -7.080 -6.794 -1.787 431 HB3 SER 57 2HB SER 57 -5.961 -6.316 -3.063 432 HG SER 57 HG SER 57 -6.771 -8.827 -2.270 433 H VAL 58 H VAL 58 -2.822 -7.985 -1.156 434 HA VAL 58 HA VAL 58 -1.248 -5.856 -2.344 435 HB VAL 58 HB VAL 58 -0.391 -8.611 -1.448 436 HG11 VAL 58 1HG1 VAL 58 1.861 -7.277 -1.343 437 HG12 VAL 58 2HG1 VAL 58 1.303 -7.974 -2.865 438 HG13 VAL 58 3HG1 VAL 58 1.072 -6.255 -2.543 439 HG21 VAL 58 1HG2 VAL 58 -0.568 -5.976 -0.043 440 HG22 VAL 58 2HG2 VAL 58 -1.058 -7.575 0.516 441 HG23 VAL 58 3HG2 VAL 58 0.653 -7.158 0.430 442 H LEU 59 H LEU 59 -1.819 -5.703 -4.482 443 HA LEU 59 HA LEU 59 -2.334 -7.786 -6.246 444 HB2 LEU 59 1HB LEU 59 -1.199 -5.041 -6.723 445 HB3 LEU 59 2HB LEU 59 -1.644 -6.140 -8.027 446 HG LEU 59 HG LEU 59 -3.982 -6.137 -7.031 447 HD11 LEU 59 1HD1 LEU 59 -3.914 -5.271 -4.927 448 HD12 LEU 59 2HD1 LEU 59 -4.292 -3.803 -5.827 449 HD13 LEU 59 3HD1 LEU 59 -2.634 -4.122 -5.318 450 HD21 LEU 59 1HD2 LEU 59 -4.509 -4.633 -8.597 451 HD22 LEU 59 2HD2 LEU 59 -2.773 -4.533 -8.899 452 HD23 LEU 59 3HD2 LEU 59 -3.552 -3.365 -7.830 453 H ASN 60 H ASN 60 -1.103 -8.993 -7.648 454 HA ASN 60 HA ASN 60 1.293 -10.006 -6.936 455 HB2 ASN 60 1HB ASN 60 1.670 -10.451 -9.434 456 HB3 ASN 60 2HB ASN 60 0.179 -11.065 -8.725 457 HD21 ASN 60 1HD2 ASN 60 1.325 -9.739 -11.397 458 HD22 ASN 60 2HD2 ASN 60 -0.044 -8.830 -11.929 459 H ASP 61 H ASP 61 0.901 -7.298 -9.219 460 HA ASP 61 HA ASP 61 3.548 -6.758 -9.746 461 HB2 ASP 61 1HB ASP 61 1.370 -4.694 -9.361 462 HB3 ASP 61 2HB ASP 61 2.858 -4.483 -10.279 463 H GLY 62 H GLY 62 1.649 -5.881 -6.917 464 HA2 GLY 62 1HA GLY 62 3.021 -5.814 -4.829 465 HA3 GLY 62 2HA GLY 62 4.104 -4.752 -5.717 466 H THR 63 H THR 63 0.671 -4.481 -6.143 467 HA THR 63 HA THR 63 0.770 -1.836 -4.890 468 HB THR 63 HB THR 63 -1.344 -3.033 -6.693 469 HG1 THR 63 1HG THR 63 0.896 -2.394 -7.505 470 HG21 THR 63 1HG2 THR 63 -1.067 -0.379 -5.333 471 HG22 THR 63 2HG2 THR 63 -2.487 -1.413 -5.485 472 HG23 THR 63 3HG2 THR 63 -1.907 -0.500 -6.878 473 H LEU 64 H LEU 64 -0.995 -1.121 -3.540 474 HA LEU 64 HA LEU 64 -2.220 -3.336 -2.033 475 HB2 LEU 64 1HB LEU 64 -0.465 -1.732 -0.967 476 HB3 LEU 64 2HB LEU 64 -1.817 -0.605 -0.889 477 HG LEU 64 HG LEU 64 -3.063 -2.293 0.456 478 HD11 LEU 64 1HD1 LEU 64 -2.215 -4.375 0.094 479 HD12 LEU 64 2HD1 LEU 64 -1.334 -3.959 1.564 480 HD13 LEU 64 3HD1 LEU 64 -0.549 -3.803 -0.008 481 HD21 LEU 64 1HD2 LEU 64 -0.447 -1.681 1.785 482 HD22 LEU 64 2HD2 LEU 64 -2.073 -1.672 2.469 483 HD23 LEU 64 3HD2 LEU 64 -1.576 -0.395 1.357 484 H ASN 65 H ASN 65 -4.230 -3.510 -2.859 485 HA ASN 65 HA ASN 65 -5.793 -1.105 -3.390 486 HB2 ASN 65 1HB ASN 65 -5.883 -2.815 -5.096 487 HB3 ASN 65 2HB ASN 65 -6.351 -4.031 -3.911 488 HD21 ASN 65 1HD2 ASN 65 -7.412 -1.636 -6.061 489 HD22 ASN 65 2HD2 ASN 65 -9.097 -1.704 -5.683 490 H PHE 66 H PHE 66 -7.875 -0.764 -2.485 491 HA PHE 66 HA PHE 66 -8.451 -2.278 -0.035 492 HB2 PHE 66 1HB PHE 66 -8.484 0.737 -0.287 493 HB3 PHE 66 2HB PHE 66 -9.023 -0.171 1.122 494 HD1 PHE 66 1HD PHE 66 -6.016 0.073 -1.077 495 HD2 PHE 66 2HD PHE 66 -7.555 -0.350 2.869 496 HE1 PHE 66 1HE PHE 66 -3.724 0.112 -0.183 497 HE2 PHE 66 2HE PHE 66 -5.266 -0.311 3.770 498 HZ PHE 66 HZ PHE 66 -3.347 -0.079 2.244 499 H SER 67 H SER 67 -10.148 -3.352 -1.033 500 HA SER 67 HA SER 67 -12.065 -2.592 -2.729 501 HB2 SER 67 1HB SER 67 -11.840 -4.742 -1.200 502 HB3 SER 67 2HB SER 67 -13.064 -3.912 -0.239 503 HG SER 67 HG SER 67 -14.065 -3.676 -2.515 504 H HIS 68 H HIS 68 -12.138 -1.836 0.743 505 HA HIS 68 HA HIS 68 -13.608 0.594 0.203 506 HB2 HIS 68 1HB HIS 68 -15.537 0.117 1.491 507 HB3 HIS 68 2HB HIS 68 -15.325 -1.277 0.435 508 HD1 HIS 68 1HD HIS 68 -14.150 -3.410 1.625 509 HD2 HIS 68 2HD HIS 68 -15.693 -0.486 4.139 510 HE1 HIS 68 1HE HIS 68 -14.361 -4.505 3.879 511 HE2 HIS 68 2HE HIS 68 -15.377 -2.742 5.363 512 H VAL 69 H VAL 69 -12.340 1.986 1.246 513 HA VAL 69 HA VAL 69 -10.927 1.261 3.651 514 HB VAL 69 HB VAL 69 -10.005 3.511 3.587 515 HG11 VAL 69 1HG1 VAL 69 -8.704 3.271 1.666 516 HG12 VAL 69 2HG1 VAL 69 -9.244 1.627 2.013 517 HG13 VAL 69 3HG1 VAL 69 -10.030 2.565 0.742 518 HG21 VAL 69 1HG2 VAL 69 -12.330 4.342 2.578 519 HG22 VAL 69 2HG2 VAL 69 -10.832 5.250 2.381 520 HG23 VAL 69 3HG2 VAL 69 -11.412 4.214 1.078 521 H LEU 70 H LEU 70 -11.072 2.460 5.652 522 HA LEU 70 HA LEU 70 -13.690 3.712 6.121 523 HB2 LEU 70 1HB LEU 70 -12.414 1.965 8.186 524 HB3 LEU 70 2HB LEU 70 -14.093 2.483 8.054 525 HG LEU 70 HG LEU 70 -12.984 0.683 5.953 526 HD11 LEU 70 1HD1 LEU 70 -13.389 -1.280 7.248 527 HD12 LEU 70 2HD1 LEU 70 -13.976 -0.327 8.611 528 HD13 LEU 70 3HD1 LEU 70 -12.274 -0.256 8.153 529 HD21 LEU 70 1HD2 LEU 70 -15.129 1.031 5.377 530 HD22 LEU 70 2HD2 LEU 70 -15.594 1.532 7.003 531 HD23 LEU 70 3HD2 LEU 70 -15.466 -0.184 6.610 532 H LEU 71 H LEU 71 -13.753 5.031 8.109 533 HA LEU 71 HA LEU 71 -11.686 6.897 8.194 534 HB2 LEU 71 1HB LEU 71 -13.765 6.271 10.284 535 HB3 LEU 71 2HB LEU 71 -12.758 7.717 10.263 536 HG LEU 71 HG LEU 71 -14.651 7.030 8.027 537 HD11 LEU 71 1HD1 LEU 71 -15.212 8.836 10.372 538 HD12 LEU 71 2HD1 LEU 71 -15.864 7.209 10.187 539 HD13 LEU 71 3HD1 LEU 71 -16.290 8.466 9.026 540 HD21 LEU 71 1HD2 LEU 71 -12.636 8.924 8.277 541 HD22 LEU 71 2HD2 LEU 71 -14.125 9.818 8.589 542 HD23 LEU 71 3HD2 LEU 71 -13.936 8.914 7.085 543 H SER 72 H SER 72 -11.973 3.842 9.730 544 HA SER 72 HA SER 72 -10.069 4.408 11.828 545 HB2 SER 72 1HB SER 72 -12.016 2.690 11.880 546 HB3 SER 72 2HB SER 72 -10.909 1.644 10.991 547 HG SER 72 HG SER 72 -9.758 2.834 13.167 548 H ASP 73 H ASP 73 -9.928 3.573 8.550 549 HA ASP 73 HA ASP 73 -7.398 2.170 8.704 550 HB2 ASP 73 1HB ASP 73 -9.019 3.136 6.340 551 HB3 ASP 73 2HB ASP 73 -7.530 2.203 6.213 552 H THR 74 H THR 74 -8.415 5.378 8.686 553 HA THR 74 HA THR 74 -6.477 6.660 7.131 554 HB THR 74 HB THR 74 -7.817 7.656 9.653 555 HG1 THR 74 1HG THR 74 -9.486 7.880 8.385 556 HG21 THR 74 1HG2 THR 74 -6.976 9.587 7.610 557 HG22 THR 74 2HG2 THR 74 -5.646 8.780 8.439 558 HG23 THR 74 3HG2 THR 74 -6.853 9.670 9.366 559 H GLY 75 H GLY 75 -4.373 7.108 7.413 560 HA2 GLY 75 1HA GLY 75 -2.979 7.642 9.698 561 HA3 GLY 75 2HA GLY 75 -2.973 5.887 9.607 562 H VAL 76 H VAL 76 -0.904 5.443 9.102 563 HA VAL 76 HA VAL 76 0.103 6.534 6.561 564 HB VAL 76 HB VAL 76 1.695 6.174 9.102 565 HG11 VAL 76 1HG1 VAL 76 3.367 7.388 7.325 566 HG12 VAL 76 2HG1 VAL 76 3.378 5.666 7.708 567 HG13 VAL 76 3HG1 VAL 76 2.508 6.249 6.288 568 HG21 VAL 76 1HG2 VAL 76 1.810 8.457 9.267 569 HG22 VAL 76 2HG2 VAL 76 1.565 8.707 7.539 570 HG23 VAL 76 3HG2 VAL 76 0.200 8.275 8.569 571 H TYR 77 H TYR 77 0.878 5.058 5.178 572 HA TYR 77 HA TYR 77 1.165 2.296 6.160 573 HB2 TYR 77 1HB TYR 77 0.404 3.333 3.424 574 HB3 TYR 77 2HB TYR 77 0.724 1.639 3.779 575 HD1 TYR 77 2HD TYR 77 -1.480 4.480 4.735 576 HD2 TYR 77 1HD TYR 77 -0.987 0.257 4.569 577 HE1 TYR 77 2HE TYR 77 -3.827 4.185 5.411 578 HE2 TYR 77 1HE TYR 77 -3.333 -0.050 5.242 579 HH TYR 77 HH TYR 77 -5.251 2.511 6.436 580 H THR 78 H THR 78 2.967 1.117 5.659 581 HA THR 78 HA THR 78 5.090 2.491 4.149 582 HB THR 78 HB THR 78 5.491 0.868 6.670 583 HG1 THR 78 1HG THR 78 6.334 3.101 7.285 584 HG21 THR 78 1HG2 THR 78 7.573 2.533 5.299 585 HG22 THR 78 2HG2 THR 78 7.283 0.867 4.800 586 HG23 THR 78 3HG2 THR 78 7.783 1.218 6.454 587 H CYS 79 H CYS 79 5.523 1.353 2.384 588 HA CYS 79 HA CYS 79 4.993 -1.503 2.306 589 HB2 CYS 79 1HB CYS 79 4.244 -0.230 0.403 590 HB3 CYS 79 2HB CYS 79 5.844 0.467 0.178 591 HG CYS 79 HG CYS 79 6.800 -1.387 -1.332 592 H MET 80 H MET 80 6.489 -3.026 2.553 593 HA MET 80 HA MET 80 9.303 -2.205 2.657 594 HB2 MET 80 1HB MET 80 8.117 -4.814 3.606 595 HB3 MET 80 2HB MET 80 9.706 -4.162 3.982 596 HG2 MET 80 1HG MET 80 8.493 -2.240 5.103 597 HG3 MET 80 2HG MET 80 7.033 -3.215 4.955 598 HE1 MET 80 1HE MET 80 6.826 -4.238 8.192 599 HE2 MET 80 2HE MET 80 6.167 -4.088 6.563 600 HE3 MET 80 3HE MET 80 6.798 -5.639 7.120 601 H VAL 81 H VAL 81 10.875 -3.178 1.430 602 HA VAL 81 HA VAL 81 10.022 -5.223 -0.500 603 HB VAL 81 HB VAL 81 11.723 -2.838 -1.236 604 HG11 VAL 81 1HG1 VAL 81 11.715 -3.658 -3.438 605 HG12 VAL 81 2HG1 VAL 81 12.052 -5.067 -2.430 606 HG13 VAL 81 3HG1 VAL 81 10.435 -4.819 -3.091 607 HG21 VAL 81 1HG2 VAL 81 8.801 -3.303 -1.355 608 HG22 VAL 81 2HG2 VAL 81 9.703 -1.801 -1.155 609 HG23 VAL 81 3HG2 VAL 81 9.550 -2.531 -2.753 610 H THR 82 H THR 82 11.272 -6.944 -0.270 611 HA THR 82 HA THR 82 14.139 -6.556 0.267 612 HB THR 82 HB THR 82 12.522 -8.785 1.504 613 HG1 THR 82 1HG THR 82 12.651 -7.545 3.428 614 HG21 THR 82 1HG2 THR 82 15.223 -7.740 2.324 615 HG22 THR 82 2HG2 THR 82 15.032 -9.017 1.122 616 HG23 THR 82 3HG2 THR 82 14.455 -9.263 2.770 617 H ASN 83 H ASN 83 15.270 -7.369 -1.361 618 HA ASN 83 HA ASN 83 14.507 -9.962 -2.478 619 HB2 ASN 83 1HB ASN 83 15.013 -9.045 -4.793 620 HB3 ASN 83 2HB ASN 83 13.502 -8.505 -4.066 621 HD21 ASN 83 1HD2 ASN 83 14.546 -7.098 -6.115 622 HD22 ASN 83 2HD2 ASN 83 15.165 -5.585 -5.556 623 H VAL 84 H VAL 84 16.223 -11.129 -3.404 624 HA VAL 84 HA VAL 84 18.652 -11.072 -2.180 625 HB VAL 84 HB VAL 84 17.959 -12.943 -3.569 626 HG11 VAL 84 1HG1 VAL 84 18.047 -12.855 -5.993 627 HG12 VAL 84 2HG1 VAL 84 16.924 -11.639 -5.380 628 HG13 VAL 84 3HG1 VAL 84 18.529 -11.160 -5.934 629 HG21 VAL 84 1HG2 VAL 84 20.266 -12.951 -3.125 630 HG22 VAL 84 2HG2 VAL 84 20.138 -13.252 -4.858 631 HG23 VAL 84 3HG2 VAL 84 20.578 -11.648 -4.272 632 H ALA 85 H ALA 85 17.611 -9.124 -4.882 633 HA ALA 85 HA ALA 85 20.160 -8.216 -5.714 634 HB1 ALA 85 1HB ALA 85 18.462 -6.185 -6.397 635 HB2 ALA 85 2HB ALA 85 18.765 -7.630 -7.362 636 HB3 ALA 85 3HB ALA 85 17.370 -7.565 -6.285 637 H GLY 86 H GLY 86 17.762 -6.910 -3.448 638 HA2 GLY 86 1HA GLY 86 19.709 -5.686 -1.811 639 HA3 GLY 86 2HA GLY 86 19.019 -4.478 -2.884 640 H ASN 87 H ASN 87 18.208 -3.404 -1.001 641 HA ASN 87 HA ASN 87 15.625 -4.485 -0.170 642 HB2 ASN 87 1HB ASN 87 16.944 -5.191 1.667 643 HB3 ASN 87 2HB ASN 87 17.849 -3.681 1.698 644 HD21 ASN 87 1HD2 ASN 87 17.418 -2.868 3.639 645 HD22 ASN 87 2HD2 ASN 87 15.837 -2.564 4.265 646 H SER 88 H SER 88 14.090 -2.934 0.341 647 HA SER 88 HA SER 88 14.718 -0.168 0.638 648 HB2 SER 88 1HB SER 88 13.646 -1.125 -2.019 649 HB3 SER 88 2HB SER 88 13.502 0.545 -1.472 650 HG SER 88 HG SER 88 15.890 -0.919 -1.920 651 H ASN 89 H ASN 89 12.785 1.166 0.879 652 HA ASN 89 HA ASN 89 10.230 -0.178 1.056 653 HB2 ASN 89 1HB ASN 89 9.895 0.375 3.442 654 HB3 ASN 89 2HB ASN 89 11.207 -0.776 3.209 655 HD21 ASN 89 1HD2 ASN 89 12.180 -0.261 5.148 656 HD22 ASN 89 2HD2 ASN 89 13.007 1.234 5.405 657 H ALA 90 H ALA 90 8.463 1.271 1.356 658 HA ALA 90 HA ALA 90 9.131 4.126 1.151 659 HB1 ALA 90 1HB ALA 90 6.819 3.565 -0.437 660 HB2 ALA 90 2HB ALA 90 8.350 4.299 -0.917 661 HB3 ALA 90 3HB ALA 90 8.159 2.547 -0.964 662 H SER 91 H SER 91 7.093 5.496 1.404 663 HA SER 91 HA SER 91 5.115 4.247 3.165 664 HB2 SER 91 1HB SER 91 6.636 6.766 3.884 665 HB3 SER 91 2HB SER 91 5.331 6.040 4.822 666 HG SER 91 HG SER 91 7.669 4.597 4.170 667 H ALA 92 H ALA 92 3.272 5.758 3.620 668 HA ALA 92 HA ALA 92 2.839 8.056 2.032 669 HB1 ALA 92 1HB ALA 92 2.475 5.612 0.662 670 HB2 ALA 92 2HB ALA 92 0.876 6.304 0.941 671 HB3 ALA 92 3HB ALA 92 2.110 7.245 0.102 672 H TYR 93 H TYR 93 1.051 9.164 2.698 673 HA TYR 93 HA TYR 93 -0.396 8.013 4.954 674 HB2 TYR 93 1HB TYR 93 0.649 10.281 5.114 675 HB3 TYR 93 2HB TYR 93 -0.489 10.844 3.895 676 HD1 TYR 93 2HD TYR 93 -2.896 10.993 4.423 677 HD2 TYR 93 1HD TYR 93 -0.031 9.939 7.387 678 HE1 TYR 93 2HE TYR 93 -4.546 11.478 6.181 679 HE2 TYR 93 1HE TYR 93 -1.674 10.420 9.153 680 HH TYR 93 HH TYR 93 -4.870 11.730 8.383 681 H LEU 94 H LEU 94 -2.614 7.810 5.056 682 HA LEU 94 HA LEU 94 -4.073 8.217 2.529 683 HB2 LEU 94 1HB LEU 94 -3.739 5.877 2.754 684 HB3 LEU 94 2HB LEU 94 -4.197 5.911 4.456 685 HG LEU 94 HG LEU 94 -6.511 6.689 3.517 686 HD11 LEU 94 1HD1 LEU 94 -7.054 6.058 1.347 687 HD12 LEU 94 2HD1 LEU 94 -5.620 5.047 1.176 688 HD13 LEU 94 3HD1 LEU 94 -5.465 6.803 1.171 689 HD21 LEU 94 1HD2 LEU 94 -6.171 4.637 4.750 690 HD22 LEU 94 2HD2 LEU 94 -5.497 3.855 3.319 691 HD23 LEU 94 3HD2 LEU 94 -7.197 4.327 3.350 692 H ASN 95 H ASN 95 -5.764 9.525 2.697 693 HA ASN 95 HA ASN 95 -6.840 10.089 5.372 694 HB2 ASN 95 1HB ASN 95 -5.980 12.051 4.228 695 HB3 ASN 95 2HB ASN 95 -6.970 11.700 2.815 696 HD21 ASN 95 1HD2 ASN 95 -7.537 14.011 3.357 697 HD22 ASN 95 2HD2 ASN 95 -8.896 14.248 4.398 698 H VAL 96 H VAL 96 -8.849 9.506 5.891 699 HA VAL 96 HA VAL 96 -10.666 8.687 3.718 700 HB VAL 96 HB VAL 96 -10.505 7.463 6.475 701 HG11 VAL 96 1HG1 VAL 96 -12.510 7.398 4.399 702 HG12 VAL 96 2HG1 VAL 96 -11.892 5.781 4.742 703 HG13 VAL 96 3HG1 VAL 96 -12.572 6.761 6.042 704 HG21 VAL 96 1HG2 VAL 96 -9.509 5.547 5.469 705 HG22 VAL 96 2HG2 VAL 96 -9.725 6.209 3.849 706 HG23 VAL 96 3HG2 VAL 96 -8.573 6.952 4.958 707 H SER 97 H SER 97 -12.452 9.863 3.601 708 HA SER 97 HA SER 97 -13.424 11.192 6.046 709 HB2 SER 97 1HB SER 97 -12.466 12.627 4.103 710 HB3 SER 97 2HB SER 97 -13.979 12.241 3.283 711 HG SER 97 HG SER 97 -15.050 13.092 5.181 712 H SER 98 H SER 98 -15.537 10.986 6.574 713 HA SER 98 HA SER 98 -17.029 8.854 5.510 714 HB2 SER 98 1HB SER 98 -17.285 9.726 7.823 715 HB3 SER 98 2HB SER 98 -18.048 11.175 7.167 716 HG SER 98 HG SER 98 -19.835 10.097 6.881 717 H GLY 99 H GLY 99 -18.823 8.778 4.177 718 HA2 GLY 99 1HA GLY 99 -18.926 10.746 2.111 719 HA3 GLY 99 2HA GLY 99 -19.984 9.352 2.272 720 HA PRO 100 HA PRO 100 -22.278 13.363 3.180 721 HB2 PRO 100 1HB PRO 100 -24.057 13.170 1.138 722 HB3 PRO 100 2HB PRO 100 -22.494 13.979 0.977 723 HG2 PRO 100 1HG PRO 100 -23.291 11.215 0.146 724 HG3 PRO 100 2HG PRO 100 -22.317 12.409 -0.730 725 HD2 PRO 100 1HD PRO 100 -21.214 10.340 0.625 726 HD3 PRO 100 2HD PRO 100 -20.408 11.914 0.464 727 H SER 101 H SER 101 -24.001 13.319 4.505 728 HA SER 101 HA SER 101 -25.299 10.782 5.003 729 HB2 SER 101 1HB SER 101 -24.682 12.039 6.947 730 HB3 SER 101 2HB SER 101 -25.491 13.485 6.343 731 HG SER 101 HG SER 101 -27.390 12.683 6.908 732 H SER 102 H SER 102 -26.543 14.089 4.497 733 HA SER 102 HA SER 102 -29.186 13.454 4.053 734 HB2 SER 102 1HB SER 102 -28.547 15.753 4.297 735 HB3 SER 102 2HB SER 102 -27.512 15.677 2.871 736 HG SER 102 HG SER 102 -30.003 16.415 2.938 737 H GLY 103 H GLY 103 -30.436 12.918 2.288 738 HA2 GLY 103 1HA GLY 103 -30.587 12.743 -0.172 739 HA3 GLY 103 2HA GLY 103 -28.946 12.114 -0.135 Start of MODEL 17 1 H1 GLY 1 H GLY 1 26.262 5.743 -12.574 2 HA2 GLY 1 1HA GLY 1 28.176 5.853 -13.880 3 HA3 GLY 1 2HA GLY 1 27.171 5.678 -15.311 4 H SER 2 H SER 2 25.781 7.657 -15.799 5 HA SER 2 HA SER 2 26.943 10.180 -14.957 6 HB2 SER 2 1HB SER 2 27.264 9.050 -17.716 7 HB3 SER 2 2HB SER 2 27.119 10.794 -17.500 8 HG SER 2 HG SER 2 29.081 10.839 -16.758 9 H SER 3 H SER 3 25.624 11.969 -15.370 10 HA SER 3 HA SER 3 23.559 12.961 -15.359 11 HB2 SER 3 1HB SER 3 24.302 12.830 -17.813 12 HB3 SER 3 2HB SER 3 23.138 11.514 -17.972 13 HG SER 3 HG SER 3 22.260 13.877 -16.781 14 H GLY 4 H GLY 4 23.532 10.610 -13.862 15 HA2 GLY 4 1HA GLY 4 20.713 10.010 -13.929 16 HA3 GLY 4 2HA GLY 4 21.728 8.641 -14.356 17 H SER 5 H SER 5 20.351 8.017 -12.319 18 HA SER 5 HA SER 5 22.202 7.835 -10.152 19 HB2 SER 5 1HB SER 5 19.846 9.683 -9.935 20 HB3 SER 5 2HB SER 5 20.427 8.826 -8.507 21 HG SER 5 HG SER 5 21.373 11.047 -9.479 22 H SER 6 H SER 6 20.902 6.853 -8.148 23 HA SER 6 HA SER 6 18.603 5.295 -8.736 24 HB2 SER 6 1HB SER 6 19.665 3.063 -8.697 25 HB3 SER 6 2HB SER 6 20.182 4.008 -10.093 26 HG SER 6 HG SER 6 22.154 4.132 -9.301 27 H GLY 7 H GLY 7 18.475 3.414 -6.984 28 HA2 GLY 7 1HA GLY 7 19.860 3.782 -4.539 29 HA3 GLY 7 2HA GLY 7 18.326 4.639 -4.489 30 HA PRO 8 HA PRO 8 16.455 0.909 -3.113 31 HB2 PRO 8 1HB PRO 8 13.876 1.453 -3.762 32 HB3 PRO 8 2HB PRO 8 14.708 2.222 -2.405 33 HG2 PRO 8 1HG PRO 8 14.209 3.274 -5.163 34 HG3 PRO 8 2HG PRO 8 14.060 4.106 -3.604 35 HD2 PRO 8 1HD PRO 8 16.210 4.415 -5.221 36 HD3 PRO 8 2HD PRO 8 16.328 4.492 -3.451 37 H PHE 9 H PHE 9 14.540 -0.590 -4.016 38 HA PHE 9 HA PHE 9 15.349 -1.306 -6.751 39 HB2 PHE 9 1HB PHE 9 14.452 -2.916 -4.389 40 HB3 PHE 9 2HB PHE 9 14.200 -3.550 -6.012 41 HD1 PHE 9 2HD PHE 9 16.965 -1.816 -4.194 42 HD2 PHE 9 1HD PHE 9 15.777 -5.062 -6.677 43 HE1 PHE 9 2HE PHE 9 19.285 -2.634 -4.228 44 HE2 PHE 9 1HE PHE 9 18.095 -5.886 -6.715 45 HZ PHE 9 HZ PHE 9 19.853 -4.671 -5.491 46 H ILE 10 H ILE 10 13.001 0.363 -5.319 47 HA ILE 10 HA ILE 10 10.727 -0.829 -6.689 48 HB ILE 10 HB ILE 10 10.903 1.648 -4.970 49 HG12 ILE 10 1HG1 ILE 10 9.456 -0.865 -4.225 50 HG13 ILE 10 2HG1 ILE 10 11.203 -0.789 -4.023 51 HG21 ILE 10 1HG2 ILE 10 8.262 0.607 -5.192 52 HG22 ILE 10 2HG2 ILE 10 8.868 2.195 -5.659 53 HG23 ILE 10 3HG2 ILE 10 8.909 0.862 -6.812 54 HD11 ILE 10 1HD1 ILE 10 10.362 1.549 -2.872 55 HD12 ILE 10 2HD1 ILE 10 9.084 0.412 -2.441 56 HD13 ILE 10 3HD1 ILE 10 10.759 0.058 -2.018 57 H MET 11 H MET 11 9.760 -0.039 -8.487 58 HA MET 11 HA MET 11 11.211 2.003 -9.969 59 HB2 MET 11 1HB MET 11 8.974 0.132 -10.754 60 HB3 MET 11 2HB MET 11 9.675 1.325 -11.839 61 HG2 MET 11 1HG MET 11 11.901 0.210 -11.419 62 HG3 MET 11 2HG MET 11 10.997 -1.085 -10.636 63 HE1 MET 11 1HE MET 11 12.446 -1.701 -14.419 64 HE2 MET 11 2HE MET 11 13.023 -1.171 -12.838 65 HE3 MET 11 3HE MET 11 12.308 -2.773 -13.025 66 H ASP 12 H ASP 12 8.101 1.486 -8.442 67 HA ASP 12 HA ASP 12 7.473 4.319 -8.906 68 HB2 ASP 12 1HB ASP 12 6.165 2.572 -10.354 69 HB3 ASP 12 2HB ASP 12 5.272 2.285 -8.863 70 H ALA 13 H ALA 13 7.620 5.206 -6.950 71 HA ALA 13 HA ALA 13 6.873 3.702 -4.577 72 HB1 ALA 13 1HB ALA 13 8.912 4.970 -4.454 73 HB2 ALA 13 2HB ALA 13 8.068 6.450 -4.909 74 HB3 ALA 13 3HB ALA 13 7.730 5.684 -3.357 75 HA PRO 14 HA PRO 14 2.808 5.379 -4.287 76 HB2 PRO 14 1HB PRO 14 2.388 4.977 -1.635 77 HB3 PRO 14 2HB PRO 14 2.374 3.665 -2.820 78 HG2 PRO 14 1HG PRO 14 4.564 4.521 -0.967 79 HG3 PRO 14 2HG PRO 14 4.015 2.884 -1.369 80 HD2 PRO 14 1HD PRO 14 6.218 3.996 -2.483 81 HD3 PRO 14 2HD PRO 14 5.187 2.842 -3.353 82 H ARG 15 H ARG 15 1.677 7.186 -3.506 83 HA ARG 15 HA ARG 15 3.218 9.096 -1.891 84 HB2 ARG 15 1HB ARG 15 3.281 9.555 -4.418 85 HB3 ARG 15 2HB ARG 15 1.580 9.972 -4.260 86 HG2 ARG 15 1HG ARG 15 2.065 11.793 -2.827 87 HG3 ARG 15 2HG ARG 15 3.739 11.274 -2.627 88 HD2 ARG 15 1HD ARG 15 3.911 11.579 -5.178 89 HD3 ARG 15 2HD ARG 15 2.420 12.507 -5.021 90 HE ARG 15 HE ARG 15 3.603 14.199 -4.000 91 HH11 ARG 15 2HH1 ARG 15 5.602 11.365 -4.304 92 HH12 ARG 15 1HH1 ARG 15 7.062 12.188 -3.866 93 HH21 ARG 15 2HH2 ARG 15 5.519 15.294 -3.421 94 HH22 ARG 15 1HH2 ARG 15 7.014 14.422 -3.363 95 H ASP 16 H ASP 16 1.955 10.633 -0.735 96 HA ASP 16 HA ASP 16 -0.171 9.751 0.665 97 HB2 ASP 16 1HB ASP 16 -0.717 12.047 1.207 98 HB3 ASP 16 2HB ASP 16 1.033 11.886 1.088 99 H LEU 17 H LEU 17 -2.251 9.295 0.332 100 HA LEU 17 HA LEU 17 -3.526 10.316 -2.120 101 HB2 LEU 17 1HB LEU 17 -3.009 7.972 -2.400 102 HB3 LEU 17 2HB LEU 17 -3.791 7.587 -0.868 103 HG LEU 17 HG LEU 17 -5.953 8.349 -1.885 104 HD11 LEU 17 1HD1 LEU 17 -5.633 9.637 -3.711 105 HD12 LEU 17 2HD1 LEU 17 -5.677 8.081 -4.539 106 HD13 LEU 17 3HD1 LEU 17 -4.128 8.831 -4.153 107 HD21 LEU 17 1HD2 LEU 17 -4.683 6.108 -3.435 108 HD22 LEU 17 2HD2 LEU 17 -6.370 6.287 -2.952 109 HD23 LEU 17 3HD2 LEU 17 -5.134 5.957 -1.737 110 H ASN 18 H ASN 18 -5.803 10.647 -2.026 111 HA ASN 18 HA ASN 18 -6.957 10.698 0.675 112 HB2 ASN 18 1HB ASN 18 -7.777 12.917 0.418 113 HB3 ASN 18 2HB ASN 18 -6.078 12.970 -0.045 114 HD21 ASN 18 1HD2 ASN 18 -9.299 13.478 -1.023 115 HD22 ASN 18 2HD2 ASN 18 -8.974 13.967 -2.648 116 H ILE 19 H ILE 19 -8.633 9.358 0.596 117 HA ILE 19 HA ILE 19 -10.513 9.608 -1.650 118 HB ILE 19 HB ILE 19 -9.223 7.577 -2.032 119 HG12 ILE 19 1HG1 ILE 19 -11.930 6.761 -0.978 120 HG13 ILE 19 2HG1 ILE 19 -11.738 7.707 -2.450 121 HG21 ILE 19 1HG2 ILE 19 -10.204 6.036 0.216 122 HG22 ILE 19 2HG2 ILE 19 -8.567 6.190 -0.419 123 HG23 ILE 19 3HG2 ILE 19 -9.183 7.378 0.729 124 HD11 ILE 19 1HD1 ILE 19 -11.283 5.894 -3.632 125 HD12 ILE 19 2HD1 ILE 19 -10.042 5.381 -2.489 126 HD13 ILE 19 3HD1 ILE 19 -11.728 4.943 -2.214 127 H SER 20 H SER 20 -12.696 9.124 -1.164 128 HA SER 20 HA SER 20 -13.512 9.917 1.434 129 HB2 SER 20 1HB SER 20 -15.098 8.723 -0.852 130 HB3 SER 20 2HB SER 20 -15.809 9.413 0.607 131 HG SER 20 HG SER 20 -14.014 10.911 -0.963 132 H GLU 21 H GLU 21 -15.201 8.603 2.664 133 HA GLU 21 HA GLU 21 -14.004 6.052 3.314 134 HB2 GLU 21 1HB GLU 21 -14.644 7.427 5.166 135 HB3 GLU 21 2HB GLU 21 -16.272 7.625 4.532 136 HG2 GLU 21 1HG GLU 21 -16.338 5.014 4.764 137 HG3 GLU 21 2HG GLU 21 -15.049 5.305 5.931 138 H GLY 22 H GLY 22 -14.729 4.098 2.740 139 HA2 GLY 22 1HA GLY 22 -16.306 2.463 2.166 140 HA3 GLY 22 2HA GLY 22 -17.506 3.728 1.950 141 H ARG 23 H ARG 23 -14.371 3.959 0.455 142 HA ARG 23 HA ARG 23 -15.577 3.260 -2.139 143 HB2 ARG 23 1HB ARG 23 -13.729 5.575 -1.537 144 HB3 ARG 23 2HB ARG 23 -14.205 5.074 -3.153 145 HG2 ARG 23 1HG ARG 23 -16.624 5.400 -2.233 146 HG3 ARG 23 2HG ARG 23 -15.815 6.408 -1.032 147 HD2 ARG 23 1HD ARG 23 -14.945 7.851 -2.705 148 HD3 ARG 23 2HD ARG 23 -15.415 6.744 -3.995 149 HE ARG 23 HE ARG 23 -17.666 7.619 -2.488 150 HH11 ARG 23 2HH1 ARG 23 -15.436 8.580 -4.982 151 HH12 ARG 23 1HH1 ARG 23 -16.543 9.685 -5.728 152 HH21 ARG 23 2HH2 ARG 23 -19.133 9.070 -3.461 153 HH22 ARG 23 1HH2 ARG 23 -18.645 9.963 -4.861 154 H MET 24 H MET 24 -13.890 2.834 -3.840 155 HA MET 24 HA MET 24 -11.980 0.953 -2.783 156 HB2 MET 24 1HB MET 24 -13.426 0.823 -4.972 157 HB3 MET 24 2HB MET 24 -12.087 1.721 -5.673 158 HG2 MET 24 1HG MET 24 -10.564 -0.017 -5.264 159 HG3 MET 24 2HG MET 24 -11.670 -0.833 -4.162 160 HE1 MET 24 1HE MET 24 -11.979 -3.059 -4.916 161 HE2 MET 24 2HE MET 24 -12.163 -3.622 -6.578 162 HE3 MET 24 3HE MET 24 -10.621 -2.956 -6.037 163 H ALA 25 H ALA 25 -9.930 1.369 -2.307 164 HA ALA 25 HA ALA 25 -8.661 3.738 -3.519 165 HB1 ALA 25 1HB ALA 25 -7.376 4.012 -1.461 166 HB2 ALA 25 2HB ALA 25 -9.110 4.085 -1.145 167 HB3 ALA 25 3HB ALA 25 -8.204 2.624 -0.754 168 H GLU 26 H GLU 26 -6.350 3.621 -3.826 169 HA GLU 26 HA GLU 26 -5.122 0.987 -3.703 170 HB2 GLU 26 1HB GLU 26 -5.198 2.481 -6.323 171 HB3 GLU 26 2HB GLU 26 -4.570 0.866 -6.026 172 HG2 GLU 26 1HG GLU 26 -6.595 0.445 -7.040 173 HG3 GLU 26 2HG GLU 26 -6.984 0.298 -5.327 174 H LEU 27 H LEU 27 -2.900 1.041 -3.603 175 HA LEU 27 HA LEU 27 -1.719 3.725 -3.381 176 HB2 LEU 27 1HB LEU 27 -1.264 1.147 -1.981 177 HB3 LEU 27 2HB LEU 27 0.125 2.207 -2.215 178 HG LEU 27 HG LEU 27 -2.386 3.247 -0.954 179 HD11 LEU 27 1HD1 LEU 27 -1.699 2.572 1.196 180 HD12 LEU 27 2HD1 LEU 27 -0.139 2.002 0.605 181 HD13 LEU 27 3HD1 LEU 27 -1.612 1.125 0.190 182 HD21 LEU 27 1HD2 LEU 27 0.272 4.079 -0.038 183 HD22 LEU 27 2HD2 LEU 27 -1.146 5.046 -0.446 184 HD23 LEU 27 3HD2 LEU 27 -0.079 4.461 -1.724 185 H LYS 28 H LYS 28 -0.619 4.315 -5.123 186 HA LYS 28 HA LYS 28 0.261 2.624 -7.163 187 HB2 LYS 28 1HB LYS 28 1.044 5.422 -6.371 188 HB3 LYS 28 2HB LYS 28 1.758 4.622 -7.765 189 HG2 LYS 28 1HG LYS 28 -1.207 4.728 -7.535 190 HG3 LYS 28 2HG LYS 28 -0.330 6.181 -8.021 191 HD2 LYS 28 1HD LYS 28 0.394 5.245 -9.993 192 HD3 LYS 28 2HD LYS 28 0.298 3.597 -9.371 193 HE2 LYS 28 1HE LYS 28 -2.094 3.614 -9.529 194 HE3 LYS 28 2HE LYS 28 -2.103 5.330 -9.935 195 HZ1 LYS 28 1HZ LYS 28 -2.410 3.909 -11.884 196 HZ2 LYS 28 2HZ LYS 28 -0.904 3.189 -11.609 197 HZ3 LYS 28 3HZ LYS 28 -0.997 4.832 -12.005 198 H CYS 29 H CYS 29 1.545 0.935 -6.613 199 HA CYS 29 HA CYS 29 4.287 1.552 -5.897 200 HB2 CYS 29 1HB CYS 29 3.489 1.253 -3.691 201 HB3 CYS 29 2HB CYS 29 2.469 -0.102 -4.157 202 HG CYS 29 HG CYS 29 4.750 -1.754 -4.718 203 H ARG 30 H ARG 30 5.595 0.379 -7.129 204 HA ARG 30 HA ARG 30 4.705 -2.275 -8.024 205 HB2 ARG 30 1HB ARG 30 5.251 -1.875 -10.258 206 HB3 ARG 30 2HB ARG 30 4.458 -0.386 -9.764 207 HG2 ARG 30 1HG ARG 30 6.583 0.720 -9.516 208 HG3 ARG 30 2HG ARG 30 7.440 -0.785 -9.859 209 HD2 ARG 30 1HD ARG 30 6.808 -0.772 -12.105 210 HD3 ARG 30 2HD ARG 30 5.488 0.362 -11.822 211 HE ARG 30 HE ARG 30 7.789 1.724 -11.177 212 HH11 ARG 30 2HH1 ARG 30 6.509 0.127 -13.993 213 HH12 ARG 30 1HH1 ARG 30 7.327 1.164 -15.114 214 HH21 ARG 30 2HH2 ARG 30 8.872 3.096 -12.642 215 HH22 ARG 30 1HH2 ARG 30 8.672 2.852 -14.344 216 H THR 31 H THR 31 6.240 -3.836 -8.028 217 HA THR 31 HA THR 31 9.012 -3.023 -7.451 218 HB THR 31 HB THR 31 9.081 -5.269 -6.129 219 HG1 THR 31 1HG THR 31 6.828 -5.326 -5.050 220 HG21 THR 31 1HG2 THR 31 7.613 -2.905 -4.957 221 HG22 THR 31 2HG2 THR 31 9.361 -2.994 -5.173 222 HG23 THR 31 3HG2 THR 31 8.549 -4.111 -4.076 223 HA PRO 32 HA PRO 32 10.291 -5.708 -10.681 224 HB2 PRO 32 1HB PRO 32 12.662 -6.621 -9.724 225 HB3 PRO 32 2HB PRO 32 12.432 -4.965 -10.299 226 HG2 PRO 32 1HG PRO 32 12.435 -6.014 -7.495 227 HG3 PRO 32 2HG PRO 32 13.188 -4.543 -8.141 228 HD2 PRO 32 1HD PRO 32 10.836 -4.508 -6.800 229 HD3 PRO 32 2HD PRO 32 11.208 -3.363 -8.105 230 HA PRO 33 HA PRO 33 9.331 -9.932 -9.927 231 HB2 PRO 33 1HB PRO 33 11.095 -11.264 -11.503 232 HB3 PRO 33 2HB PRO 33 9.733 -10.343 -12.151 233 HG2 PRO 33 1HG PRO 33 12.610 -9.554 -11.912 234 HG3 PRO 33 2HG PRO 33 11.491 -9.306 -13.265 235 HD2 PRO 33 1HD PRO 33 12.097 -7.347 -11.496 236 HD3 PRO 33 2HD PRO 33 10.508 -7.469 -12.277 237 H MET 34 H MET 34 9.962 -11.851 -8.859 238 HA MET 34 HA MET 34 11.022 -13.028 -7.226 239 HB2 MET 34 1HB MET 34 13.596 -11.972 -8.387 240 HB3 MET 34 2HB MET 34 13.332 -13.496 -7.551 241 HG2 MET 34 1HG MET 34 11.723 -14.010 -9.511 242 HG3 MET 34 2HG MET 34 12.592 -12.716 -10.335 243 HE1 MET 34 1HE MET 34 13.500 -16.008 -11.871 244 HE2 MET 34 2HE MET 34 13.064 -16.796 -10.355 245 HE3 MET 34 3HE MET 34 12.028 -15.534 -11.022 246 H SER 35 H SER 35 10.064 -10.797 -6.189 247 HA SER 35 HA SER 35 12.126 -10.011 -4.266 248 HB2 SER 35 1HB SER 35 11.425 -7.647 -4.383 249 HB3 SER 35 2HB SER 35 12.079 -8.206 -5.923 250 HG SER 35 HG SER 35 9.382 -7.747 -5.215 251 H SER 36 H SER 36 11.356 -9.506 -2.216 252 HA SER 36 HA SER 36 8.661 -10.480 -1.675 253 HB2 SER 36 1HB SER 36 10.911 -11.086 -0.406 254 HB3 SER 36 2HB SER 36 10.513 -9.632 0.509 255 HG SER 36 HG SER 36 8.504 -11.531 0.083 256 H VAL 37 H VAL 37 7.083 -9.026 -1.739 257 HA VAL 37 HA VAL 37 7.619 -6.315 -0.716 258 HB VAL 37 HB VAL 37 6.971 -6.293 -3.056 259 HG11 VAL 37 1HG1 VAL 37 4.306 -7.013 -3.143 260 HG12 VAL 37 2HG1 VAL 37 5.661 -7.950 -3.776 261 HG13 VAL 37 3HG1 VAL 37 5.046 -8.272 -2.154 262 HG21 VAL 37 1HG2 VAL 37 5.283 -5.115 -0.957 263 HG22 VAL 37 2HG2 VAL 37 6.134 -4.345 -2.296 264 HG23 VAL 37 3HG2 VAL 37 4.575 -5.123 -2.573 265 H LYS 38 H LYS 38 6.367 -5.471 0.873 266 HA LYS 38 HA LYS 38 3.971 -6.906 1.730 267 HB2 LYS 38 1HB LYS 38 6.354 -6.355 3.501 268 HB3 LYS 38 2HB LYS 38 4.761 -6.768 4.121 269 HG2 LYS 38 1HG LYS 38 5.047 -8.822 2.487 270 HG3 LYS 38 2HG LYS 38 6.758 -8.464 2.728 271 HD2 LYS 38 1HD LYS 38 4.849 -8.751 5.032 272 HD3 LYS 38 2HD LYS 38 5.674 -10.140 4.322 273 HE2 LYS 38 1HE LYS 38 7.168 -7.707 5.256 274 HE3 LYS 38 2HE LYS 38 6.758 -9.025 6.352 275 HZ1 LYS 38 1HZ LYS 38 8.002 -10.544 4.997 276 HZ2 LYS 38 2HZ LYS 38 8.994 -9.232 5.389 277 HZ3 LYS 38 3HZ LYS 38 8.314 -9.345 3.844 278 H TRP 39 H TRP 39 2.989 -5.639 3.694 279 HA TRP 39 HA TRP 39 3.438 -2.763 3.450 280 HB2 TRP 39 1HB TRP 39 0.890 -4.191 2.754 281 HB3 TRP 39 2HB TRP 39 0.845 -2.543 3.372 282 HD1 TRP 39 HD TRP 39 1.865 -4.564 0.300 283 HE1 TRP 39 1HE TRP 39 2.288 -2.943 -1.654 284 HE3 TRP 39 3HE TRP 39 1.575 -0.136 2.839 285 HZ2 TRP 39 2HZ TRP 39 2.475 -0.157 -2.065 286 HZ3 TRP 39 3HZ TRP 39 1.888 1.962 1.592 287 HH2 TRP 39 HH TRP 39 2.329 1.949 -0.810 288 H LEU 40 H LEU 40 3.495 -1.870 5.401 289 HA LEU 40 HA LEU 40 2.370 -3.359 7.661 290 HB2 LEU 40 1HB LEU 40 4.776 -2.688 7.663 291 HB3 LEU 40 2HB LEU 40 4.252 -1.006 7.708 292 HG LEU 40 HG LEU 40 3.314 -2.867 9.843 293 HD11 LEU 40 1HD1 LEU 40 5.645 -1.578 10.767 294 HD12 LEU 40 2HD1 LEU 40 6.068 -2.404 9.268 295 HD13 LEU 40 3HD1 LEU 40 5.348 -3.309 10.599 296 HD21 LEU 40 1HD2 LEU 40 2.676 -0.369 9.436 297 HD22 LEU 40 2HD2 LEU 40 4.241 -0.050 10.185 298 HD23 LEU 40 3HD2 LEU 40 3.005 -0.944 11.071 299 H LEU 41 H LEU 41 0.601 -2.680 8.675 300 HA LEU 41 HA LEU 41 -0.653 -0.205 7.851 301 HB2 LEU 41 1HB LEU 41 -1.592 -2.241 9.864 302 HB3 LEU 41 2HB LEU 41 -2.556 -0.956 9.138 303 HG LEU 41 HG LEU 41 -3.137 -3.076 8.147 304 HD11 LEU 41 1HD1 LEU 41 -3.296 -2.254 6.065 305 HD12 LEU 41 2HD1 LEU 41 -1.558 -1.996 5.920 306 HD13 LEU 41 3HD1 LEU 41 -2.557 -0.817 6.770 307 HD21 LEU 41 1HD2 LEU 41 -1.641 -4.572 7.190 308 HD22 LEU 41 2HD2 LEU 41 -0.791 -4.033 8.638 309 HD23 LEU 41 3HD2 LEU 41 -0.361 -3.366 7.063 310 HA PRO 42 HA PRO 42 0.586 2.297 11.241 311 HB2 PRO 42 1HB PRO 42 -1.585 3.907 11.496 312 HB3 PRO 42 2HB PRO 42 -0.438 4.046 10.158 313 HG2 PRO 42 1HG PRO 42 -3.110 2.698 10.230 314 HG3 PRO 42 2HG PRO 42 -2.411 3.730 8.969 315 HD2 PRO 42 1HD PRO 42 -2.442 1.029 8.788 316 HD3 PRO 42 2HD PRO 42 -1.142 2.017 8.093 317 H ASN 43 H ASN 43 -1.682 -0.070 11.526 318 HA ASN 43 HA ASN 43 -2.437 0.635 14.272 319 HB2 ASN 43 1HB ASN 43 -4.231 -0.871 14.092 320 HB3 ASN 43 2HB ASN 43 -4.152 -0.118 12.503 321 HD21 ASN 43 1HD2 ASN 43 -3.614 -1.328 10.741 322 HD22 ASN 43 2HD2 ASN 43 -3.432 -3.045 10.787 323 H GLY 44 H GLY 44 0.036 -0.855 12.806 324 HA2 GLY 44 1HA GLY 44 1.742 -2.050 13.878 325 HA3 GLY 44 2HA GLY 44 0.618 -2.455 15.167 326 H THR 45 H THR 45 0.822 -3.016 11.649 327 HA THR 45 HA THR 45 0.911 -5.868 12.033 328 HB THR 45 HB THR 45 -1.531 -4.656 10.721 329 HG1 THR 45 1HG THR 45 -2.585 -5.792 12.490 330 HG21 THR 45 1HG2 THR 45 -2.257 -7.084 10.663 331 HG22 THR 45 2HG2 THR 45 -0.579 -7.500 11.012 332 HG23 THR 45 3HG2 THR 45 -0.983 -6.633 9.531 333 H VAL 46 H VAL 46 0.936 -7.029 9.903 334 HA VAL 46 HA VAL 46 1.653 -5.370 7.615 335 HB VAL 46 HB VAL 46 3.552 -7.258 8.978 336 HG11 VAL 46 1HG1 VAL 46 3.491 -8.026 6.704 337 HG12 VAL 46 2HG1 VAL 46 3.612 -6.374 6.097 338 HG13 VAL 46 3HG1 VAL 46 4.975 -7.104 6.945 339 HG21 VAL 46 1HG2 VAL 46 5.093 -5.433 8.831 340 HG22 VAL 46 2HG2 VAL 46 3.994 -4.519 7.799 341 HG23 VAL 46 3HG2 VAL 46 3.578 -4.812 9.487 342 H LEU 47 H LEU 47 1.136 -6.284 5.696 343 HA LEU 47 HA LEU 47 0.203 -9.079 5.749 344 HB2 LEU 47 1HB LEU 47 -0.854 -6.776 4.117 345 HB3 LEU 47 2HB LEU 47 -1.400 -8.447 3.990 346 HG LEU 47 HG LEU 47 -1.658 -6.787 6.493 347 HD11 LEU 47 1HD1 LEU 47 -3.161 -5.643 5.258 348 HD12 LEU 47 2HD1 LEU 47 -4.177 -7.041 5.608 349 HD13 LEU 47 3HD1 LEU 47 -3.329 -6.932 4.066 350 HD21 LEU 47 1HD2 LEU 47 -1.642 -9.334 6.591 351 HD22 LEU 47 2HD2 LEU 47 -3.176 -9.262 5.723 352 HD23 LEU 47 3HD2 LEU 47 -3.024 -8.509 7.311 353 H SER 48 H SER 48 0.233 -10.144 3.584 354 HA SER 48 HA SER 48 2.101 -9.100 1.640 355 HB2 SER 48 1HB SER 48 3.494 -10.216 3.457 356 HB3 SER 48 2HB SER 48 2.763 -11.739 2.952 357 HG SER 48 HG SER 48 3.928 -11.723 1.182 358 H HIS 49 H HIS 49 2.570 -11.080 0.012 359 HA HIS 49 HA HIS 49 0.177 -11.595 -1.298 360 HB2 HIS 49 1HB HIS 49 2.698 -11.816 -2.056 361 HB3 HIS 49 2HB HIS 49 2.454 -13.505 -1.618 362 HD1 HIS 49 1HD HIS 49 0.263 -11.046 -3.539 363 HD2 HIS 49 2HD HIS 49 1.938 -14.830 -3.907 364 HE1 HIS 49 1HE HIS 49 -0.560 -11.934 -5.743 365 HE2 HIS 49 2HE HIS 49 0.398 -14.258 -5.905 366 H ALA 50 H ALA 50 1.530 -13.154 1.423 367 HA ALA 50 HA ALA 50 0.240 -15.692 1.070 368 HB1 ALA 50 1HB ALA 50 0.944 -14.990 3.810 369 HB2 ALA 50 2HB ALA 50 1.483 -16.339 2.809 370 HB3 ALA 50 3HB ALA 50 2.271 -14.768 2.670 371 H SER 51 H SER 51 -0.247 -13.110 3.490 372 HA SER 51 HA SER 51 -2.567 -14.010 4.632 373 HB2 SER 51 1HB SER 51 -1.946 -11.110 4.021 374 HB3 SER 51 2HB SER 51 -3.025 -11.707 5.281 375 HG SER 51 HG SER 51 -0.336 -11.412 5.323 376 H ARG 52 H ARG 52 -4.682 -14.098 4.120 377 HA ARG 52 HA ARG 52 -5.418 -13.350 1.386 378 HB2 ARG 52 1HB ARG 52 -6.636 -15.223 3.407 379 HB3 ARG 52 2HB ARG 52 -7.493 -14.742 1.949 380 HG2 ARG 52 1HG ARG 52 -4.741 -15.835 1.682 381 HG3 ARG 52 2HG ARG 52 -6.068 -16.943 2.035 382 HD2 ARG 52 1HD ARG 52 -7.184 -16.420 0.042 383 HD3 ARG 52 2HD ARG 52 -6.241 -14.949 -0.200 384 HE ARG 52 HE ARG 52 -4.651 -16.200 -1.256 385 HH11 ARG 52 2HH1 ARG 52 -6.670 -18.316 0.633 386 HH12 ARG 52 1HH1 ARG 52 -5.944 -19.766 0.024 387 HH21 ARG 52 2HH2 ARG 52 -3.687 -18.103 -2.065 388 HH22 ARG 52 1HH2 ARG 52 -4.247 -19.644 -1.510 389 H HIS 53 H HIS 53 -5.158 -11.336 3.444 390 HA HIS 53 HA HIS 53 -7.491 -10.531 4.668 391 HB2 HIS 53 1HB HIS 53 -5.182 -9.458 4.801 392 HB3 HIS 53 2HB HIS 53 -5.602 -8.602 3.320 393 HD1 HIS 53 1HD HIS 53 -7.991 -7.193 3.584 394 HD2 HIS 53 2HD HIS 53 -5.847 -8.088 7.029 395 HE1 HIS 53 1HE HIS 53 -8.828 -5.591 5.332 396 HE2 HIS 53 2HE HIS 53 -7.456 -6.094 7.383 397 HA PRO 54 HA PRO 54 -10.296 -9.661 1.378 398 HB2 PRO 54 1HB PRO 54 -12.055 -8.127 2.765 399 HB3 PRO 54 2HB PRO 54 -11.957 -9.882 2.949 400 HG2 PRO 54 1HG PRO 54 -10.794 -7.729 4.674 401 HG3 PRO 54 2HG PRO 54 -11.619 -9.224 5.154 402 HD2 PRO 54 1HD PRO 54 -8.923 -8.976 5.178 403 HD3 PRO 54 2HD PRO 54 -9.737 -10.515 4.831 404 H ARG 55 H ARG 55 -10.888 -6.739 3.150 405 HA ARG 55 HA ARG 55 -10.857 -4.969 1.117 406 HB2 ARG 55 1HB ARG 55 -9.860 -4.535 3.934 407 HB3 ARG 55 2HB ARG 55 -10.135 -3.228 2.791 408 HG2 ARG 55 1HG ARG 55 -12.518 -4.204 2.602 409 HG3 ARG 55 2HG ARG 55 -12.122 -5.025 4.114 410 HD2 ARG 55 1HD ARG 55 -12.527 -2.136 3.561 411 HD3 ARG 55 2HD ARG 55 -13.030 -3.103 4.947 412 HE ARG 55 HE ARG 55 -10.514 -1.722 4.603 413 HH11 ARG 55 2HH1 ARG 55 -12.273 -4.173 6.339 414 HH12 ARG 55 1HH1 ARG 55 -11.221 -4.137 7.716 415 HH21 ARG 55 2HH2 ARG 55 -9.122 -1.665 6.409 416 HH22 ARG 55 1HH2 ARG 55 -9.430 -2.710 7.755 417 H ILE 56 H ILE 56 -7.993 -5.436 3.198 418 HA ILE 56 HA ILE 56 -6.272 -4.095 1.349 419 HB ILE 56 HB ILE 56 -5.519 -5.830 3.704 420 HG12 ILE 56 1HG1 ILE 56 -5.669 -2.819 3.643 421 HG13 ILE 56 2HG1 ILE 56 -7.033 -3.812 4.142 422 HG21 ILE 56 1HG2 ILE 56 -3.469 -4.263 3.594 423 HG22 ILE 56 2HG2 ILE 56 -3.577 -5.604 2.455 424 HG23 ILE 56 3HG2 ILE 56 -3.983 -3.970 1.933 425 HD11 ILE 56 1HD1 ILE 56 -5.886 -4.619 6.024 426 HD12 ILE 56 2HD1 ILE 56 -4.334 -4.028 5.430 427 HD13 ILE 56 3HD1 ILE 56 -5.563 -2.886 5.973 428 H SER 57 H SER 57 -5.651 -4.960 -0.511 429 HA SER 57 HA SER 57 -4.889 -7.803 -0.551 430 HB2 SER 57 1HB SER 57 -6.665 -6.298 -2.440 431 HB3 SER 57 2HB SER 57 -5.689 -7.636 -3.047 432 HG SER 57 HG SER 57 -7.975 -7.934 -2.043 433 H VAL 58 H VAL 58 -2.832 -8.056 -1.077 434 HA VAL 58 HA VAL 58 -1.363 -5.867 -2.303 435 HB VAL 58 HB VAL 58 -0.343 -8.538 -1.326 436 HG11 VAL 58 1HG1 VAL 58 1.772 -6.909 -1.182 437 HG12 VAL 58 2HG1 VAL 58 1.395 -7.864 -2.618 438 HG13 VAL 58 3HG1 VAL 58 0.934 -6.163 -2.543 439 HG21 VAL 58 1HG2 VAL 58 0.443 -6.306 0.286 440 HG22 VAL 58 2HG2 VAL 58 -1.315 -6.350 0.154 441 HG23 VAL 58 3HG2 VAL 58 -0.439 -7.759 0.753 442 H LEU 59 H LEU 59 -1.717 -5.768 -4.456 443 HA LEU 59 HA LEU 59 -2.134 -7.975 -6.151 444 HB2 LEU 59 1HB LEU 59 -1.037 -5.283 -6.937 445 HB3 LEU 59 2HB LEU 59 -1.877 -6.435 -7.974 446 HG LEU 59 HG LEU 59 -3.048 -4.752 -5.766 447 HD11 LEU 59 1HD1 LEU 59 -2.632 -3.754 -8.042 448 HD12 LEU 59 2HD1 LEU 59 -4.303 -3.710 -7.479 449 HD13 LEU 59 3HD1 LEU 59 -3.807 -4.910 -8.672 450 HD21 LEU 59 1HD2 LEU 59 -5.202 -5.826 -6.376 451 HD22 LEU 59 2HD2 LEU 59 -4.061 -6.922 -5.596 452 HD23 LEU 59 3HD2 LEU 59 -4.301 -6.995 -7.342 453 H ASN 60 H ASN 60 -0.771 -8.950 -7.689 454 HA ASN 60 HA ASN 60 1.639 -9.884 -6.919 455 HB2 ASN 60 1HB ASN 60 0.782 -10.891 -8.838 456 HB3 ASN 60 2HB ASN 60 0.530 -9.351 -9.655 457 HD21 ASN 60 1HD2 ASN 60 1.651 -9.762 -11.483 458 HD22 ASN 60 2HD2 ASN 60 3.354 -10.047 -11.531 459 H ASP 61 H ASP 61 1.239 -7.051 -9.047 460 HA ASP 61 HA ASP 61 3.886 -6.327 -9.310 461 HB2 ASP 61 1HB ASP 61 1.662 -4.316 -8.972 462 HB3 ASP 61 2HB ASP 61 3.129 -4.157 -9.933 463 H GLY 62 H GLY 62 1.648 -5.566 -6.679 464 HA2 GLY 62 1HA GLY 62 2.877 -5.584 -4.457 465 HA3 GLY 62 2HA GLY 62 3.905 -4.368 -5.200 466 H THR 63 H THR 63 0.972 -3.765 -6.455 467 HA THR 63 HA THR 63 0.571 -1.433 -4.877 468 HB THR 63 HB THR 63 -1.208 -2.718 -6.957 469 HG1 THR 63 1HG THR 63 1.001 -1.697 -7.419 470 HG21 THR 63 1HG2 THR 63 -1.589 -0.375 -5.212 471 HG22 THR 63 2HG2 THR 63 -2.778 -1.368 -6.054 472 HG23 THR 63 3HG2 THR 63 -1.911 -0.102 -6.924 473 H LEU 64 H LEU 64 -0.887 -0.993 -3.291 474 HA LEU 64 HA LEU 64 -2.305 -3.299 -2.159 475 HB2 LEU 64 1HB LEU 64 -0.611 -1.752 -0.888 476 HB3 LEU 64 2HB LEU 64 -2.012 -0.694 -0.737 477 HG LEU 64 HG LEU 64 -3.216 -2.627 0.344 478 HD11 LEU 64 1HD1 LEU 64 -2.031 -4.505 1.109 479 HD12 LEU 64 2HD1 LEU 64 -0.470 -3.791 0.704 480 HD13 LEU 64 3HD1 LEU 64 -1.559 -4.317 -0.580 481 HD21 LEU 64 1HD2 LEU 64 -0.799 -1.972 1.960 482 HD22 LEU 64 2HD2 LEU 64 -2.498 -2.003 2.433 483 HD23 LEU 64 3HD2 LEU 64 -1.877 -0.669 1.460 484 H ASN 65 H ASN 65 -4.374 -3.454 -2.697 485 HA ASN 65 HA ASN 65 -5.893 -1.020 -3.293 486 HB2 ASN 65 1HB ASN 65 -5.928 -2.793 -4.994 487 HB3 ASN 65 2HB ASN 65 -6.579 -3.923 -3.810 488 HD21 ASN 65 1HD2 ASN 65 -7.361 -1.941 -6.296 489 HD22 ASN 65 2HD2 ASN 65 -9.033 -1.679 -5.947 490 H PHE 66 H PHE 66 -8.045 -0.761 -2.444 491 HA PHE 66 HA PHE 66 -8.612 -2.276 0.003 492 HB2 PHE 66 1HB PHE 66 -8.606 0.742 -0.213 493 HB3 PHE 66 2HB PHE 66 -9.205 -0.168 1.170 494 HD1 PHE 66 1HD PHE 66 -6.128 -0.027 -0.940 495 HD2 PHE 66 2HD PHE 66 -7.796 -0.331 2.964 496 HE1 PHE 66 1HE PHE 66 -3.863 -0.042 0.022 497 HE2 PHE 66 2HE PHE 66 -5.535 -0.346 3.933 498 HZ PHE 66 HZ PHE 66 -3.565 -0.200 2.462 499 H SER 67 H SER 67 -10.476 -3.244 -0.485 500 HA SER 67 HA SER 67 -12.342 -2.607 -2.362 501 HB2 SER 67 1HB SER 67 -12.216 -4.638 -0.749 502 HB3 SER 67 2HB SER 67 -13.245 -3.666 0.304 503 HG SER 67 HG SER 67 -14.837 -3.707 -1.197 504 H HIS 68 H HIS 68 -12.469 -1.608 1.056 505 HA HIS 68 HA HIS 68 -13.749 0.876 0.302 506 HB2 HIS 68 1HB HIS 68 -15.720 0.593 1.656 507 HB3 HIS 68 2HB HIS 68 -15.628 -0.759 0.531 508 HD1 HIS 68 1HD HIS 68 -14.660 -3.048 1.613 509 HD2 HIS 68 2HD HIS 68 -15.947 -0.125 4.270 510 HE1 HIS 68 1HE HIS 68 -14.985 -4.231 3.808 511 HE2 HIS 68 2HE HIS 68 -15.845 -2.460 5.379 512 H VAL 69 H VAL 69 -12.343 2.198 1.279 513 HA VAL 69 HA VAL 69 -10.950 1.605 3.665 514 HB VAL 69 HB VAL 69 -10.390 4.054 3.674 515 HG11 VAL 69 1HG1 VAL 69 -9.975 2.558 1.088 516 HG12 VAL 69 2HG1 VAL 69 -9.037 3.952 1.626 517 HG13 VAL 69 3HG1 VAL 69 -8.974 2.442 2.535 518 HG21 VAL 69 1HG2 VAL 69 -11.600 4.322 0.978 519 HG22 VAL 69 2HG2 VAL 69 -12.670 4.466 2.373 520 HG23 VAL 69 3HG2 VAL 69 -11.287 5.548 2.207 521 H LEU 70 H LEU 70 -11.099 2.749 5.708 522 HA LEU 70 HA LEU 70 -13.801 3.726 6.334 523 HB2 LEU 70 1HB LEU 70 -12.287 2.129 8.345 524 HB3 LEU 70 2HB LEU 70 -14.024 2.390 8.197 525 HG LEU 70 HG LEU 70 -12.639 0.786 6.101 526 HD11 LEU 70 1HD1 LEU 70 -11.990 -0.835 7.463 527 HD12 LEU 70 2HD1 LEU 70 -13.619 -0.956 8.126 528 HD13 LEU 70 3HD1 LEU 70 -12.452 0.151 8.850 529 HD21 LEU 70 1HD2 LEU 70 -15.367 1.055 7.267 530 HD22 LEU 70 2HD2 LEU 70 -14.901 -0.476 6.526 531 HD23 LEU 70 3HD2 LEU 70 -14.860 1.012 5.579 532 H LEU 71 H LEU 71 -13.930 5.150 8.155 533 HA LEU 71 HA LEU 71 -12.008 7.134 8.241 534 HB2 LEU 71 1HB LEU 71 -13.996 6.363 10.372 535 HB3 LEU 71 2HB LEU 71 -13.106 7.883 10.326 536 HG LEU 71 HG LEU 71 -15.277 6.947 8.465 537 HD11 LEU 71 1HD1 LEU 71 -16.297 9.097 9.156 538 HD12 LEU 71 2HD1 LEU 71 -14.969 9.321 10.295 539 HD13 LEU 71 3HD1 LEU 71 -16.077 7.963 10.489 540 HD21 LEU 71 1HD2 LEU 71 -14.890 9.063 7.234 541 HD22 LEU 71 2HD2 LEU 71 -13.570 7.905 7.068 542 HD23 LEU 71 3HD2 LEU 71 -13.401 9.286 8.152 543 H SER 72 H SER 72 -11.995 4.072 9.768 544 HA SER 72 HA SER 72 -10.069 4.831 11.803 545 HB2 SER 72 1HB SER 72 -10.134 2.414 12.402 546 HB3 SER 72 2HB SER 72 -11.730 3.162 12.401 547 HG SER 72 HG SER 72 -10.604 1.553 10.351 548 H ASP 73 H ASP 73 -10.117 3.481 8.618 549 HA ASP 73 HA ASP 73 -7.560 2.246 8.668 550 HB2 ASP 73 1HB ASP 73 -9.340 3.208 6.433 551 HB3 ASP 73 2HB ASP 73 -7.766 2.478 6.128 552 H THR 74 H THR 74 -8.564 5.498 8.545 553 HA THR 74 HA THR 74 -6.596 6.730 7.023 554 HB THR 74 HB THR 74 -7.918 7.754 9.542 555 HG1 THR 74 1HG THR 74 -9.560 8.092 8.261 556 HG21 THR 74 1HG2 THR 74 -5.702 8.833 8.420 557 HG22 THR 74 2HG2 THR 74 -6.941 9.771 9.253 558 HG23 THR 74 3HG2 THR 74 -6.964 9.645 7.494 559 H GLY 75 H GLY 75 -4.458 6.804 7.210 560 HA2 GLY 75 1HA GLY 75 -3.023 7.448 9.495 561 HA3 GLY 75 2HA GLY 75 -3.088 5.693 9.437 562 H VAL 76 H VAL 76 -0.798 5.670 9.202 563 HA VAL 76 HA VAL 76 0.159 6.549 6.558 564 HB VAL 76 HB VAL 76 1.650 6.106 9.140 565 HG11 VAL 76 1HG1 VAL 76 3.674 6.787 7.784 566 HG12 VAL 76 2HG1 VAL 76 3.066 5.154 7.503 567 HG13 VAL 76 3HG1 VAL 76 2.714 6.439 6.346 568 HG21 VAL 76 1HG2 VAL 76 0.446 8.284 8.682 569 HG22 VAL 76 2HG2 VAL 76 2.170 8.412 9.031 570 HG23 VAL 76 3HG2 VAL 76 1.595 8.538 7.368 571 H TYR 77 H TYR 77 0.910 5.089 5.138 572 HA TYR 77 HA TYR 77 1.083 2.288 6.037 573 HB2 TYR 77 1HB TYR 77 0.287 3.414 3.347 574 HB3 TYR 77 2HB TYR 77 0.552 1.702 3.659 575 HD1 TYR 77 2HD TYR 77 -1.535 4.603 4.677 576 HD2 TYR 77 1HD TYR 77 -1.172 0.367 4.520 577 HE1 TYR 77 2HE TYR 77 -3.873 4.381 5.408 578 HE2 TYR 77 1HE TYR 77 -3.509 0.133 5.250 579 HH TYR 77 HH TYR 77 -5.359 2.833 6.382 580 H THR 78 H THR 78 2.898 1.153 5.639 581 HA THR 78 HA THR 78 5.014 2.482 4.074 582 HB THR 78 HB THR 78 5.441 0.661 6.448 583 HG1 THR 78 1HG THR 78 5.303 3.477 6.209 584 HG21 THR 78 1HG2 THR 78 7.458 2.520 5.236 585 HG22 THR 78 2HG2 THR 78 7.205 0.908 4.568 586 HG23 THR 78 3HG2 THR 78 7.720 1.097 6.243 587 H CYS 79 H CYS 79 5.912 1.352 2.461 588 HA CYS 79 HA CYS 79 5.107 -1.458 2.158 589 HB2 CYS 79 1HB CYS 79 4.371 -0.131 0.306 590 HB3 CYS 79 2HB CYS 79 5.955 0.616 0.135 591 HG CYS 79 HG CYS 79 5.489 -2.730 -0.361 592 H MET 80 H MET 80 6.598 -2.882 2.743 593 HA MET 80 HA MET 80 9.417 -2.148 2.698 594 HB2 MET 80 1HB MET 80 8.327 -4.791 3.625 595 HB3 MET 80 2HB MET 80 9.802 -3.975 4.124 596 HG2 MET 80 1HG MET 80 8.282 -2.188 5.111 597 HG3 MET 80 2HG MET 80 6.974 -3.347 4.885 598 HE1 MET 80 1HE MET 80 6.100 -4.084 6.673 599 HE2 MET 80 2HE MET 80 6.790 -5.704 6.777 600 HE3 MET 80 3HE MET 80 6.814 -4.643 8.186 601 H VAL 81 H VAL 81 10.995 -3.249 1.545 602 HA VAL 81 HA VAL 81 10.100 -5.268 -0.385 603 HB VAL 81 HB VAL 81 11.863 -2.953 -1.182 604 HG11 VAL 81 1HG1 VAL 81 11.924 -3.846 -3.289 605 HG12 VAL 81 2HG1 VAL 81 11.852 -5.324 -2.328 606 HG13 VAL 81 3HG1 VAL 81 10.392 -4.696 -3.094 607 HG21 VAL 81 1HG2 VAL 81 10.040 -1.893 -2.194 608 HG22 VAL 81 2HG2 VAL 81 9.015 -3.321 -2.057 609 HG23 VAL 81 3HG2 VAL 81 9.426 -2.389 -0.617 610 H THR 82 H THR 82 11.326 -7.002 -0.127 611 HA THR 82 HA THR 82 14.174 -6.632 0.537 612 HB THR 82 HB THR 82 12.572 -9.033 1.400 613 HG1 THR 82 1HG THR 82 11.755 -7.863 2.952 614 HG21 THR 82 1HG2 THR 82 14.463 -8.975 3.168 615 HG22 THR 82 2HG2 THR 82 15.278 -7.904 2.029 616 HG23 THR 82 3HG2 THR 82 14.841 -9.541 1.542 617 H ASN 83 H ASN 83 15.454 -7.298 -1.047 618 HA ASN 83 HA ASN 83 14.654 -9.654 -2.616 619 HB2 ASN 83 1HB ASN 83 14.275 -7.552 -3.907 620 HB3 ASN 83 2HB ASN 83 15.992 -7.190 -3.755 621 HD21 ASN 83 1HD2 ASN 83 14.067 -7.910 -6.022 622 HD22 ASN 83 2HD2 ASN 83 14.930 -9.115 -6.911 623 H VAL 84 H VAL 84 16.204 -11.151 -2.914 624 HA VAL 84 HA VAL 84 18.401 -11.430 -1.368 625 HB VAL 84 HB VAL 84 17.638 -13.239 -2.778 626 HG11 VAL 84 1HG1 VAL 84 17.012 -11.979 -4.752 627 HG12 VAL 84 2HG1 VAL 84 18.706 -11.613 -5.084 628 HG13 VAL 84 3HG1 VAL 84 18.124 -13.275 -5.190 629 HG21 VAL 84 1HG2 VAL 84 20.223 -12.737 -2.160 630 HG22 VAL 84 2HG2 VAL 84 19.658 -14.228 -2.915 631 HG23 VAL 84 3HG2 VAL 84 20.337 -12.939 -3.909 632 H ALA 85 H ALA 85 18.123 -9.416 -4.188 633 HA ALA 85 HA ALA 85 20.968 -8.960 -4.418 634 HB1 ALA 85 1HB ALA 85 19.816 -8.888 -6.466 635 HB2 ALA 85 2HB ALA 85 18.571 -7.817 -5.822 636 HB3 ALA 85 3HB ALA 85 20.204 -7.208 -6.093 637 H GLY 86 H GLY 86 18.135 -6.971 -3.546 638 HA2 GLY 86 1HA GLY 86 19.789 -5.502 -1.648 639 HA3 GLY 86 2HA GLY 86 19.113 -4.566 -2.973 640 H ASN 87 H ASN 87 18.245 -3.484 -0.912 641 HA ASN 87 HA ASN 87 15.546 -4.537 -0.468 642 HB2 ASN 87 1HB ASN 87 17.538 -3.764 1.655 643 HB3 ASN 87 2HB ASN 87 15.805 -3.723 1.962 644 HD21 ASN 87 1HD2 ASN 87 16.943 -5.303 3.593 645 HD22 ASN 87 2HD2 ASN 87 16.832 -6.970 3.152 646 H SER 88 H SER 88 14.044 -2.900 0.364 647 HA SER 88 HA SER 88 14.755 -0.142 0.382 648 HB2 SER 88 1HB SER 88 13.143 0.314 -1.644 649 HB3 SER 88 2HB SER 88 14.836 -0.084 -1.936 650 HG SER 88 HG SER 88 14.191 -2.240 -2.302 651 H ASN 89 H ASN 89 12.767 1.265 0.509 652 HA ASN 89 HA ASN 89 10.307 -0.076 1.238 653 HB2 ASN 89 1HB ASN 89 10.205 0.816 3.498 654 HB3 ASN 89 2HB ASN 89 11.647 -0.179 3.320 655 HD21 ASN 89 1HD2 ASN 89 11.033 1.979 5.203 656 HD22 ASN 89 2HD2 ASN 89 12.298 3.141 5.014 657 H ALA 90 H ALA 90 8.569 1.484 1.750 658 HA ALA 90 HA ALA 90 9.059 4.229 0.895 659 HB1 ALA 90 1HB ALA 90 6.675 3.331 -0.413 660 HB2 ALA 90 2HB ALA 90 8.123 4.059 -1.109 661 HB3 ALA 90 3HB ALA 90 8.035 2.312 -0.884 662 H SER 91 H SER 91 7.202 5.647 1.295 663 HA SER 91 HA SER 91 5.307 4.579 3.270 664 HB2 SER 91 1HB SER 91 5.617 6.879 4.444 665 HB3 SER 91 2HB SER 91 6.825 5.622 4.711 666 HG SER 91 HG SER 91 8.234 6.680 3.451 667 H ALA 92 H ALA 92 3.338 5.753 3.464 668 HA ALA 92 HA ALA 92 2.752 8.011 1.830 669 HB1 ALA 92 1HB ALA 92 2.343 6.961 -0.091 670 HB2 ALA 92 2HB ALA 92 2.398 5.372 0.673 671 HB3 ALA 92 3HB ALA 92 0.904 6.308 0.691 672 H TYR 93 H TYR 93 0.917 9.014 2.500 673 HA TYR 93 HA TYR 93 -0.492 7.781 4.740 674 HB2 TYR 93 1HB TYR 93 0.434 10.073 4.984 675 HB3 TYR 93 2HB TYR 93 -0.645 10.620 3.705 676 HD1 TYR 93 1HD TYR 93 -0.491 9.357 7.166 677 HD2 TYR 93 2HD TYR 93 -2.960 11.038 4.135 678 HE1 TYR 93 1HE TYR 93 -2.246 9.778 8.837 679 HE2 TYR 93 2HE TYR 93 -4.721 11.465 5.799 680 HH TYR 93 HH TYR 93 -5.068 11.668 8.102 681 H LEU 94 H LEU 94 -2.858 8.098 4.901 682 HA LEU 94 HA LEU 94 -4.248 8.287 2.338 683 HB2 LEU 94 1HB LEU 94 -3.894 5.954 2.463 684 HB3 LEU 94 2HB LEU 94 -4.301 5.911 4.177 685 HG LEU 94 HG LEU 94 -6.657 6.679 3.333 686 HD11 LEU 94 1HD1 LEU 94 -7.243 5.910 1.149 687 HD12 LEU 94 2HD1 LEU 94 -5.632 5.240 0.893 688 HD13 LEU 94 3HD1 LEU 94 -5.855 6.987 0.992 689 HD21 LEU 94 1HD2 LEU 94 -5.789 3.844 2.814 690 HD22 LEU 94 2HD2 LEU 94 -7.369 4.419 3.347 691 HD23 LEU 94 3HD2 LEU 94 -5.983 4.513 4.434 692 H ASN 95 H ASN 95 -5.629 9.896 2.705 693 HA ASN 95 HA ASN 95 -6.838 10.225 5.335 694 HB2 ASN 95 1HB ASN 95 -5.966 12.228 4.281 695 HB3 ASN 95 2HB ASN 95 -6.944 11.939 2.844 696 HD21 ASN 95 1HD2 ASN 95 -7.381 14.281 3.635 697 HD22 ASN 95 2HD2 ASN 95 -8.796 14.464 4.609 698 H VAL 96 H VAL 96 -8.837 9.601 5.828 699 HA VAL 96 HA VAL 96 -10.654 8.873 3.622 700 HB VAL 96 HB VAL 96 -10.537 7.602 6.360 701 HG11 VAL 96 1HG1 VAL 96 -12.412 6.476 5.863 702 HG12 VAL 96 2HG1 VAL 96 -12.679 7.758 4.679 703 HG13 VAL 96 3HG1 VAL 96 -11.938 6.236 4.182 704 HG21 VAL 96 1HG2 VAL 96 -8.611 7.149 4.730 705 HG22 VAL 96 2HG2 VAL 96 -9.446 5.758 5.421 706 HG23 VAL 96 3HG2 VAL 96 -9.804 6.272 3.772 707 H SER 97 H SER 97 -12.243 10.307 3.473 708 HA SER 97 HA SER 97 -13.249 11.575 5.928 709 HB2 SER 97 1HB SER 97 -12.377 13.092 4.158 710 HB3 SER 97 2HB SER 97 -13.612 12.476 3.060 711 HG SER 97 HG SER 97 -14.592 14.192 3.904 712 H SER 98 H SER 98 -15.364 11.439 6.499 713 HA SER 98 HA SER 98 -16.889 9.260 5.644 714 HB2 SER 98 1HB SER 98 -18.647 10.115 7.044 715 HB3 SER 98 2HB SER 98 -17.115 10.466 7.842 716 HG SER 98 HG SER 98 -18.070 12.380 7.926 717 H GLY 99 H GLY 99 -19.238 9.524 4.868 718 HA2 GLY 99 1HA GLY 99 -20.721 10.143 3.222 719 HA3 GLY 99 2HA GLY 99 -19.900 11.696 3.162 720 HA PRO 100 HA PRO 100 -18.965 8.881 -0.589 721 HB2 PRO 100 1HB PRO 100 -20.701 9.951 -2.381 722 HB3 PRO 100 2HB PRO 100 -21.110 8.573 -1.352 723 HG2 PRO 100 1HG PRO 100 -21.790 11.467 -1.000 724 HG3 PRO 100 2HG PRO 100 -22.816 10.040 -0.762 725 HD2 PRO 100 1HD PRO 100 -21.640 11.349 1.296 726 HD3 PRO 100 2HD PRO 100 -21.933 9.599 1.321 727 H SER 101 H SER 101 -19.975 12.298 -0.606 728 HA SER 101 HA SER 101 -17.715 12.909 -2.380 729 HB2 SER 101 1HB SER 101 -20.134 13.630 -2.917 730 HB3 SER 101 2HB SER 101 -19.914 14.834 -1.647 731 HG SER 101 HG SER 101 -18.248 15.737 -2.813 732 H SER 102 H SER 102 -16.319 14.663 -1.912 733 HA SER 102 HA SER 102 -16.102 15.223 0.968 734 HB2 SER 102 1HB SER 102 -13.712 15.693 0.507 735 HB3 SER 102 2HB SER 102 -14.168 14.054 0.043 736 HG SER 102 HG SER 102 -12.930 15.648 -1.471 737 H GLY 103 H GLY 103 -16.972 17.128 1.470 738 HA2 GLY 103 1HA GLY 103 -16.620 19.517 1.524 739 HA3 GLY 103 2HA GLY 103 -16.231 19.450 -0.188 Start of MODEL 18 1 H1 GLY 1 H GLY 1 15.772 17.939 -2.370 2 HA2 GLY 1 1HA GLY 1 16.354 18.666 -5.149 3 HA3 GLY 1 2HA GLY 1 17.402 18.946 -3.766 4 H SER 2 H SER 2 17.537 17.464 -6.504 5 HA SER 2 HA SER 2 18.733 14.992 -5.431 6 HB2 SER 2 1HB SER 2 16.685 14.915 -7.074 7 HB3 SER 2 2HB SER 2 17.906 15.245 -8.303 8 HG SER 2 HG SER 2 17.639 13.009 -6.613 9 H SER 3 H SER 3 20.857 14.789 -5.647 10 HA SER 3 HA SER 3 22.461 16.799 -6.794 11 HB2 SER 3 1HB SER 3 23.375 15.482 -5.015 12 HB3 SER 3 2HB SER 3 23.102 13.982 -5.902 13 HG SER 3 HG SER 3 24.955 14.261 -6.831 14 H GLY 4 H GLY 4 21.837 13.457 -7.876 15 HA2 GLY 4 1HA GLY 4 22.329 14.363 -10.633 16 HA3 GLY 4 2HA GLY 4 23.172 12.946 -10.024 17 H SER 5 H SER 5 22.204 11.010 -10.167 18 HA SER 5 HA SER 5 19.319 10.812 -10.409 19 HB2 SER 5 1HB SER 5 19.284 9.752 -12.545 20 HB3 SER 5 2HB SER 5 20.249 11.214 -12.740 21 HG SER 5 HG SER 5 21.200 8.560 -12.422 22 H SER 6 H SER 6 18.599 9.028 -9.434 23 HA SER 6 HA SER 6 19.861 6.512 -9.489 24 HB2 SER 6 1HB SER 6 21.517 7.566 -8.027 25 HB3 SER 6 2HB SER 6 20.240 8.075 -6.923 26 HG SER 6 HG SER 6 19.816 5.589 -7.057 27 H GLY 7 H GLY 7 18.242 5.122 -9.275 28 HA2 GLY 7 1HA GLY 7 15.991 5.870 -7.512 29 HA3 GLY 7 2HA GLY 7 15.764 5.058 -9.053 30 HA PRO 8 HA PRO 8 16.702 2.108 -5.343 31 HB2 PRO 8 1HB PRO 8 14.258 1.831 -4.195 32 HB3 PRO 8 2HB PRO 8 15.444 3.024 -3.653 33 HG2 PRO 8 1HG PRO 8 13.071 3.390 -5.440 34 HG3 PRO 8 2HG PRO 8 13.646 4.423 -4.119 35 HD2 PRO 8 1HD PRO 8 14.130 4.984 -6.723 36 HD3 PRO 8 2HD PRO 8 15.266 5.410 -5.428 37 H PHE 9 H PHE 9 15.246 0.018 -4.869 38 HA PHE 9 HA PHE 9 14.982 -1.303 -7.356 39 HB2 PHE 9 1HB PHE 9 14.449 -2.020 -4.505 40 HB3 PHE 9 2HB PHE 9 13.795 -3.055 -5.770 41 HD1 PHE 9 2HD PHE 9 16.932 -1.599 -4.450 42 HD2 PHE 9 1HD PHE 9 15.150 -4.611 -6.873 43 HE1 PHE 9 2HE PHE 9 19.110 -2.726 -4.644 44 HE2 PHE 9 1HE PHE 9 17.325 -5.744 -7.070 45 HZ PHE 9 HZ PHE 9 19.309 -4.801 -5.956 46 H ILE 10 H ILE 10 12.705 0.275 -5.225 47 HA ILE 10 HA ILE 10 10.342 -0.788 -6.390 48 HB ILE 10 HB ILE 10 10.720 1.786 -4.855 49 HG12 ILE 10 1HG1 ILE 10 9.484 -0.673 -3.700 50 HG13 ILE 10 2HG1 ILE 10 11.237 -0.618 -3.853 51 HG21 ILE 10 1HG2 ILE 10 8.118 0.441 -4.793 52 HG22 ILE 10 2HG2 ILE 10 8.510 2.153 -4.943 53 HG23 ILE 10 3HG2 ILE 10 8.561 1.110 -6.364 54 HD11 ILE 10 1HD1 ILE 10 9.444 1.142 -2.224 55 HD12 ILE 10 2HD1 ILE 10 10.795 0.138 -1.694 56 HD13 ILE 10 3HD1 ILE 10 11.098 1.607 -2.621 57 H MET 11 H MET 11 10.366 -0.591 -8.605 58 HA MET 11 HA MET 11 11.161 1.516 -10.164 59 HB2 MET 11 1HB MET 11 8.759 -0.260 -10.630 60 HB3 MET 11 2HB MET 11 9.561 0.712 -11.857 61 HG2 MET 11 1HG MET 11 11.554 -0.598 -11.683 62 HG3 MET 11 2HG MET 11 10.910 -1.477 -10.299 63 HE1 MET 11 1HE MET 11 8.802 -3.939 -11.158 64 HE2 MET 11 2HE MET 11 8.620 -2.369 -10.375 65 HE3 MET 11 3HE MET 11 7.685 -2.747 -11.823 66 H ASP 12 H ASP 12 8.236 1.218 -8.273 67 HA ASP 12 HA ASP 12 7.652 4.034 -8.813 68 HB2 ASP 12 1HB ASP 12 5.887 1.720 -9.423 69 HB3 ASP 12 2HB ASP 12 5.127 3.144 -8.718 70 H ALA 13 H ALA 13 7.465 5.083 -6.957 71 HA ALA 13 HA ALA 13 6.915 3.566 -4.514 72 HB1 ALA 13 1HB ALA 13 8.935 5.020 -4.653 73 HB2 ALA 13 2HB ALA 13 7.861 6.416 -4.753 74 HB3 ALA 13 3HB ALA 13 7.860 5.404 -3.309 75 HA PRO 14 HA PRO 14 2.813 5.126 -4.161 76 HB2 PRO 14 1HB PRO 14 2.487 4.875 -1.477 77 HB3 PRO 14 2HB PRO 14 2.490 3.492 -2.578 78 HG2 PRO 14 1HG PRO 14 4.698 4.543 -0.852 79 HG3 PRO 14 2HG PRO 14 4.202 2.864 -1.135 80 HD2 PRO 14 1HD PRO 14 6.326 3.985 -2.385 81 HD3 PRO 14 2HD PRO 14 5.316 2.742 -3.149 82 H ARG 15 H ARG 15 1.578 6.871 -3.251 83 HA ARG 15 HA ARG 15 3.095 8.945 -1.853 84 HB2 ARG 15 1HB ARG 15 3.162 9.306 -4.375 85 HB3 ARG 15 2HB ARG 15 1.432 9.605 -4.278 86 HG2 ARG 15 1HG ARG 15 3.213 11.142 -2.469 87 HG3 ARG 15 2HG ARG 15 3.194 11.563 -4.183 88 HD2 ARG 15 1HD ARG 15 0.621 11.552 -3.907 89 HD3 ARG 15 2HD ARG 15 0.968 11.669 -2.182 90 HE ARG 15 HE ARG 15 1.642 13.844 -2.490 91 HH11 ARG 15 2HH1 ARG 15 1.306 12.274 -5.579 92 HH12 ARG 15 1HH1 ARG 15 1.476 13.738 -6.488 93 HH21 ARG 15 2HH2 ARG 15 1.868 15.779 -3.676 94 HH22 ARG 15 1HH2 ARG 15 1.797 15.731 -5.405 95 H ASP 16 H ASP 16 1.849 10.338 -0.606 96 HA ASP 16 HA ASP 16 -0.342 9.415 0.693 97 HB2 ASP 16 1HB ASP 16 -0.737 11.628 1.494 98 HB3 ASP 16 2HB ASP 16 1.000 11.484 1.242 99 H LEU 17 H LEU 17 -2.431 9.090 0.275 100 HA LEU 17 HA LEU 17 -3.589 10.369 -2.114 101 HB2 LEU 17 1HB LEU 17 -3.287 8.093 -2.669 102 HB3 LEU 17 2HB LEU 17 -3.880 7.556 -1.099 103 HG LEU 17 HG LEU 17 -6.116 8.667 -1.916 104 HD11 LEU 17 1HD1 LEU 17 -4.641 9.278 -4.088 105 HD12 LEU 17 2HD1 LEU 17 -6.390 9.058 -4.114 106 HD13 LEU 17 3HD1 LEU 17 -5.328 7.734 -4.593 107 HD21 LEU 17 1HD2 LEU 17 -4.951 6.017 -2.181 108 HD22 LEU 17 2HD2 LEU 17 -6.236 6.315 -3.351 109 HD23 LEU 17 3HD2 LEU 17 -6.554 6.499 -1.626 110 H ASN 18 H ASN 18 -5.739 11.020 -2.005 111 HA ASN 18 HA ASN 18 -6.923 10.993 0.694 112 HB2 ASN 18 1HB ASN 18 -7.833 13.197 0.277 113 HB3 ASN 18 2HB ASN 18 -6.097 13.235 -0.015 114 HD21 ASN 18 1HD2 ASN 18 -9.166 13.835 -1.284 115 HD22 ASN 18 2HD2 ASN 18 -8.693 14.214 -2.902 116 H ILE 19 H ILE 19 -8.519 9.539 0.640 117 HA ILE 19 HA ILE 19 -10.495 9.757 -1.531 118 HB ILE 19 HB ILE 19 -9.131 7.732 -1.867 119 HG12 ILE 19 1HG1 ILE 19 -11.826 6.810 -0.919 120 HG13 ILE 19 2HG1 ILE 19 -11.699 7.926 -2.274 121 HG21 ILE 19 1HG2 ILE 19 -8.746 6.145 -0.288 122 HG22 ILE 19 2HG2 ILE 19 -8.940 7.534 0.779 123 HG23 ILE 19 3HG2 ILE 19 -10.285 6.423 0.526 124 HD11 ILE 19 1HD1 ILE 19 -11.510 6.129 -3.557 125 HD12 ILE 19 2HD1 ILE 19 -9.890 5.935 -2.888 126 HD13 ILE 19 3HD1 ILE 19 -11.249 5.072 -2.170 127 H SER 20 H SER 20 -12.645 8.961 -0.953 128 HA SER 20 HA SER 20 -13.315 9.742 1.761 129 HB2 SER 20 1HB SER 20 -14.922 9.193 -0.724 130 HB3 SER 20 2HB SER 20 -15.705 9.340 0.849 131 HG SER 20 HG SER 20 -15.658 11.353 -0.141 132 H GLU 21 H GLU 21 -14.795 8.456 3.073 133 HA GLU 21 HA GLU 21 -13.900 5.776 3.332 134 HB2 GLU 21 1HB GLU 21 -14.506 6.732 5.359 135 HB3 GLU 21 2HB GLU 21 -15.964 7.458 4.697 136 HG2 GLU 21 1HG GLU 21 -16.941 5.180 4.515 137 HG3 GLU 21 2HG GLU 21 -15.519 4.556 5.349 138 H GLY 22 H GLY 22 -14.742 3.900 2.622 139 HA2 GLY 22 1HA GLY 22 -16.359 2.424 1.808 140 HA3 GLY 22 2HA GLY 22 -17.484 3.768 1.673 141 H ARG 23 H ARG 23 -14.235 3.670 0.314 142 HA ARG 23 HA ARG 23 -15.373 3.359 -2.371 143 HB2 ARG 23 1HB ARG 23 -13.432 5.535 -1.568 144 HB3 ARG 23 2HB ARG 23 -13.980 5.208 -3.207 145 HG2 ARG 23 1HG ARG 23 -16.354 5.556 -2.118 146 HG3 ARG 23 2HG ARG 23 -15.416 6.480 -0.942 147 HD2 ARG 23 1HD ARG 23 -14.583 7.934 -2.634 148 HD3 ARG 23 2HD ARG 23 -15.226 6.909 -3.916 149 HE ARG 23 HE ARG 23 -17.273 7.871 -2.176 150 HH11 ARG 23 2HH1 ARG 23 -15.250 8.728 -4.876 151 HH12 ARG 23 1HH1 ARG 23 -16.357 9.906 -5.500 152 HH21 ARG 23 2HH2 ARG 23 -18.739 9.420 -2.987 153 HH22 ARG 23 1HH2 ARG 23 -18.340 10.300 -4.423 154 H MET 24 H MET 24 -13.587 3.066 -4.030 155 HA MET 24 HA MET 24 -11.707 1.113 -2.970 156 HB2 MET 24 1HB MET 24 -13.233 0.948 -5.128 157 HB3 MET 24 2HB MET 24 -11.871 1.770 -5.877 158 HG2 MET 24 1HG MET 24 -10.398 -0.004 -5.373 159 HG3 MET 24 2HG MET 24 -11.563 -0.754 -4.284 160 HE1 MET 24 1HE MET 24 -10.416 -2.869 -6.847 161 HE2 MET 24 2HE MET 24 -11.014 -2.812 -5.189 162 HE3 MET 24 3HE MET 24 -11.988 -3.566 -6.452 163 H ALA 25 H ALA 25 -9.598 1.470 -2.704 164 HA ALA 25 HA ALA 25 -8.374 3.774 -4.066 165 HB1 ALA 25 1HB ALA 25 -6.987 3.991 -1.895 166 HB2 ALA 25 2HB ALA 25 -8.625 4.645 -1.932 167 HB3 ALA 25 3HB ALA 25 -8.312 3.094 -1.153 168 H GLU 26 H GLU 26 -5.964 3.662 -4.070 169 HA GLU 26 HA GLU 26 -4.828 1.003 -3.773 170 HB2 GLU 26 1HB GLU 26 -4.921 2.437 -6.433 171 HB3 GLU 26 2HB GLU 26 -3.921 1.031 -6.096 172 HG2 GLU 26 1HG GLU 26 -5.930 -0.286 -5.638 173 HG3 GLU 26 2HG GLU 26 -6.927 1.123 -5.997 174 H LEU 27 H LEU 27 -2.539 0.981 -3.757 175 HA LEU 27 HA LEU 27 -1.342 3.646 -3.381 176 HB2 LEU 27 1HB LEU 27 -1.036 1.067 -1.949 177 HB3 LEU 27 2HB LEU 27 0.398 2.079 -2.112 178 HG LEU 27 HG LEU 27 -2.116 3.272 -1.028 179 HD11 LEU 27 1HD1 LEU 27 -0.369 1.273 0.323 180 HD12 LEU 27 2HD1 LEU 27 -2.112 1.509 0.437 181 HD13 LEU 27 3HD1 LEU 27 -1.017 2.620 1.259 182 HD21 LEU 27 1HD2 LEU 27 0.319 4.304 -1.573 183 HD22 LEU 27 2HD2 LEU 27 0.542 3.826 0.111 184 HD23 LEU 27 3HD2 LEU 27 -0.762 4.930 -0.329 185 H LYS 28 H LYS 28 -0.176 4.198 -5.097 186 HA LYS 28 HA LYS 28 0.784 2.520 -7.085 187 HB2 LYS 28 1HB LYS 28 1.599 5.267 -6.180 188 HB3 LYS 28 2HB LYS 28 2.441 4.467 -7.500 189 HG2 LYS 28 1HG LYS 28 0.848 5.773 -8.568 190 HG3 LYS 28 2HG LYS 28 0.116 4.167 -8.540 191 HD2 LYS 28 1HD LYS 28 -1.229 4.781 -6.618 192 HD3 LYS 28 2HD LYS 28 -0.444 6.361 -6.544 193 HE2 LYS 28 1HE LYS 28 -2.032 5.365 -8.905 194 HE3 LYS 28 2HE LYS 28 -2.700 6.370 -7.619 195 HZ1 LYS 28 1HZ LYS 28 -1.548 7.295 -9.879 196 HZ2 LYS 28 2HZ LYS 28 -0.279 7.418 -8.767 197 HZ3 LYS 28 3HZ LYS 28 -1.752 8.191 -8.458 198 H CYS 29 H CYS 29 2.021 0.793 -6.639 199 HA CYS 29 HA CYS 29 4.693 1.269 -5.607 200 HB2 CYS 29 1HB CYS 29 3.676 0.748 -3.538 201 HB3 CYS 29 2HB CYS 29 2.688 -0.522 -4.251 202 HG CYS 29 HG CYS 29 5.256 -1.935 -4.876 203 H ARG 30 H ARG 30 6.112 0.195 -6.809 204 HA ARG 30 HA ARG 30 5.213 -2.241 -8.200 205 HB2 ARG 30 1HB ARG 30 6.899 0.031 -9.245 206 HB3 ARG 30 2HB ARG 30 6.837 -1.543 -10.028 207 HG2 ARG 30 1HG ARG 30 4.285 -0.121 -9.463 208 HG3 ARG 30 2HG ARG 30 5.291 0.420 -10.808 209 HD2 ARG 30 1HD ARG 30 4.706 -2.487 -10.539 210 HD3 ARG 30 2HD ARG 30 3.431 -1.422 -11.132 211 HE ARG 30 HE ARG 30 5.760 -2.266 -12.551 212 HH11 ARG 30 2HH1 ARG 30 3.474 0.335 -12.192 213 HH12 ARG 30 1HH1 ARG 30 3.701 0.931 -13.803 214 HH21 ARG 30 2HH2 ARG 30 6.067 -1.491 -14.674 215 HH22 ARG 30 1HH2 ARG 30 5.176 -0.109 -15.214 216 H THR 31 H THR 31 6.488 -3.986 -8.020 217 HA THR 31 HA THR 31 9.191 -3.622 -6.907 218 HB THR 31 HB THR 31 8.846 -5.800 -5.685 219 HG1 THR 31 1HG THR 31 6.075 -5.313 -5.930 220 HG21 THR 31 1HG2 THR 31 6.980 -4.504 -4.141 221 HG22 THR 31 2HG2 THR 31 7.720 -3.181 -5.042 222 HG23 THR 31 3HG2 THR 31 8.723 -4.252 -4.065 223 HA PRO 32 HA PRO 32 10.607 -6.162 -10.204 224 HB2 PRO 32 1HB PRO 32 12.815 -7.252 -9.060 225 HB3 PRO 32 2HB PRO 32 12.734 -5.563 -9.572 226 HG2 PRO 32 1HG PRO 32 12.392 -6.731 -6.837 227 HG3 PRO 32 2HG PRO 32 13.285 -5.280 -7.331 228 HD2 PRO 32 1HD PRO 32 10.812 -5.166 -6.233 229 HD3 PRO 32 2HD PRO 32 11.378 -3.990 -7.436 230 HA PRO 33 HA PRO 33 9.347 -10.351 -9.758 231 HB2 PRO 33 1HB PRO 33 11.186 -11.714 -11.218 232 HB3 PRO 33 2HB PRO 33 9.948 -10.686 -11.950 233 HG2 PRO 33 1HG PRO 33 12.826 -10.079 -11.391 234 HG3 PRO 33 2HG PRO 33 11.863 -9.705 -12.833 235 HD2 PRO 33 1HD PRO 33 12.393 -7.866 -10.918 236 HD3 PRO 33 2HD PRO 33 10.886 -7.860 -11.856 237 H MET 34 H MET 34 9.615 -12.137 -8.479 238 HA MET 34 HA MET 34 10.450 -13.452 -6.823 239 HB2 MET 34 1HB MET 34 13.092 -12.719 -8.098 240 HB3 MET 34 2HB MET 34 12.868 -13.994 -6.907 241 HG2 MET 34 1HG MET 34 11.092 -14.848 -8.649 242 HG3 MET 34 2HG MET 34 12.074 -13.904 -9.767 243 HE1 MET 34 1HE MET 34 11.146 -16.875 -8.993 244 HE2 MET 34 2HE MET 34 12.425 -17.889 -9.660 245 HE3 MET 34 3HE MET 34 12.269 -17.700 -7.912 246 H SER 35 H SER 35 9.871 -10.795 -6.152 247 HA SER 35 HA SER 35 11.901 -10.274 -4.079 248 HB2 SER 35 1HB SER 35 11.445 -7.901 -4.255 249 HB3 SER 35 2HB SER 35 11.846 -8.520 -5.857 250 HG SER 35 HG SER 35 9.340 -8.789 -5.847 251 H SER 36 H SER 36 11.186 -9.778 -2.027 252 HA SER 36 HA SER 36 8.487 -10.645 -1.421 253 HB2 SER 36 1HB SER 36 10.747 -11.135 -0.122 254 HB3 SER 36 2HB SER 36 10.337 -9.625 0.692 255 HG SER 36 HG SER 36 9.206 -12.099 0.929 256 H VAL 37 H VAL 37 6.875 -9.236 -1.522 257 HA VAL 37 HA VAL 37 7.380 -6.451 -0.697 258 HB VAL 37 HB VAL 37 6.745 -6.416 -2.978 259 HG11 VAL 37 1HG1 VAL 37 5.736 -8.217 -3.813 260 HG12 VAL 37 2HG1 VAL 37 5.131 -8.700 -2.227 261 HG13 VAL 37 3HG1 VAL 37 4.222 -7.546 -3.205 262 HG21 VAL 37 1HG2 VAL 37 4.317 -5.838 -1.284 263 HG22 VAL 37 2HG2 VAL 37 5.637 -4.725 -1.643 264 HG23 VAL 37 3HG2 VAL 37 4.564 -5.265 -2.933 265 H LYS 38 H LYS 38 6.413 -5.783 1.096 266 HA LYS 38 HA LYS 38 3.956 -7.149 1.974 267 HB2 LYS 38 1HB LYS 38 6.339 -6.335 3.638 268 HB3 LYS 38 2HB LYS 38 4.776 -6.738 4.335 269 HG2 LYS 38 1HG LYS 38 4.945 -8.971 3.238 270 HG3 LYS 38 2HG LYS 38 6.590 -8.547 2.758 271 HD2 LYS 38 1HD LYS 38 7.395 -8.688 4.894 272 HD3 LYS 38 2HD LYS 38 5.849 -8.245 5.621 273 HE2 LYS 38 1HE LYS 38 6.089 -10.499 6.163 274 HE3 LYS 38 2HE LYS 38 5.024 -10.519 4.758 275 HZ1 LYS 38 1HZ LYS 38 7.504 -11.781 5.075 276 HZ2 LYS 38 2HZ LYS 38 7.662 -10.629 3.846 277 HZ3 LYS 38 3HZ LYS 38 6.469 -11.824 3.738 278 H TRP 39 H TRP 39 2.950 -5.773 3.866 279 HA TRP 39 HA TRP 39 3.231 -2.910 3.395 280 HB2 TRP 39 1HB TRP 39 0.758 -4.507 2.790 281 HB3 TRP 39 2HB TRP 39 0.636 -2.817 3.271 282 HD1 TRP 39 HD TRP 39 1.619 -5.031 0.353 283 HE1 TRP 39 1HE TRP 39 2.054 -3.559 -1.713 284 HE3 TRP 39 3HE TRP 39 1.485 -0.436 2.589 285 HZ2 TRP 39 2HZ TRP 39 2.307 -0.813 -2.315 286 HZ3 TRP 39 3HZ TRP 39 1.833 1.563 1.197 287 HH2 TRP 39 HH TRP 39 2.236 1.376 -1.204 288 H LEU 40 H LEU 40 3.698 -2.296 5.417 289 HA LEU 40 HA LEU 40 2.462 -3.545 7.706 290 HB2 LEU 40 1HB LEU 40 4.864 -2.631 7.493 291 HB3 LEU 40 2HB LEU 40 4.130 -1.056 7.787 292 HG LEU 40 HG LEU 40 3.770 -3.352 9.692 293 HD11 LEU 40 1HD1 LEU 40 6.177 -1.815 9.160 294 HD12 LEU 40 2HD1 LEU 40 5.950 -3.262 10.141 295 HD13 LEU 40 3HD1 LEU 40 5.631 -1.671 10.831 296 HD21 LEU 40 1HD2 LEU 40 2.659 -1.884 10.946 297 HD22 LEU 40 2HD2 LEU 40 2.625 -0.840 9.524 298 HD23 LEU 40 3HD2 LEU 40 3.897 -0.646 10.731 299 H LEU 41 H LEU 41 0.979 -2.652 9.095 300 HA LEU 41 HA LEU 41 -0.516 -0.368 8.035 301 HB2 LEU 41 1HB LEU 41 -1.262 -2.355 10.176 302 HB3 LEU 41 2HB LEU 41 -2.308 -1.090 9.533 303 HG LEU 41 HG LEU 41 -3.015 -3.103 8.531 304 HD11 LEU 41 1HD1 LEU 41 -2.735 -1.146 7.014 305 HD12 LEU 41 2HD1 LEU 41 -2.678 -2.708 6.198 306 HD13 LEU 41 3HD1 LEU 41 -1.186 -1.822 6.509 307 HD21 LEU 41 1HD2 LEU 41 -1.576 -4.703 7.485 308 HD22 LEU 41 2HD2 LEU 41 -0.956 -4.385 9.106 309 HD23 LEU 41 3HD2 LEU 41 -0.171 -3.659 7.702 310 HA PRO 42 HA PRO 42 0.774 2.392 11.197 311 HB2 PRO 42 1HB PRO 42 -1.455 3.915 11.487 312 HB3 PRO 42 2HB PRO 42 -0.395 4.023 10.077 313 HG2 PRO 42 1HG PRO 42 -2.989 2.562 10.388 314 HG3 PRO 42 2HG PRO 42 -2.415 3.545 9.029 315 HD2 PRO 42 1HD PRO 42 -2.324 0.839 9.009 316 HD3 PRO 42 2HD PRO 42 -1.115 1.841 8.181 317 H ASN 43 H ASN 43 -1.338 -0.060 11.760 318 HA ASN 43 HA ASN 43 -1.980 0.780 14.498 319 HB2 ASN 43 1HB ASN 43 -3.587 -1.037 14.530 320 HB3 ASN 43 2HB ASN 43 -3.836 -0.068 13.081 321 HD21 ASN 43 1HD2 ASN 43 -2.525 -3.066 14.325 322 HD22 ASN 43 2HD2 ASN 43 -2.565 -3.926 12.828 323 H GLY 44 H GLY 44 0.222 -1.092 12.749 324 HA2 GLY 44 1HA GLY 44 2.132 -1.868 14.137 325 HA3 GLY 44 2HA GLY 44 0.931 -2.601 15.190 326 H THR 45 H THR 45 -0.750 -3.598 13.086 327 HA THR 45 HA THR 45 0.571 -6.074 12.605 328 HB THR 45 HB THR 45 -1.987 -5.116 11.314 329 HG1 THR 45 1HG THR 45 -1.626 -5.244 13.836 330 HG21 THR 45 1HG2 THR 45 -1.302 -7.107 10.263 331 HG22 THR 45 2HG2 THR 45 -2.468 -7.625 11.480 332 HG23 THR 45 3HG2 THR 45 -0.740 -7.813 11.778 333 H VAL 46 H VAL 46 0.584 -7.070 10.368 334 HA VAL 46 HA VAL 46 1.013 -5.221 8.176 335 HB VAL 46 HB VAL 46 3.211 -5.189 9.192 336 HG11 VAL 46 1HG1 VAL 46 4.419 -7.030 9.859 337 HG12 VAL 46 2HG1 VAL 46 2.774 -7.551 10.231 338 HG13 VAL 46 3HG1 VAL 46 3.570 -8.120 8.763 339 HG21 VAL 46 1HG2 VAL 46 4.413 -5.516 7.269 340 HG22 VAL 46 2HG2 VAL 46 3.620 -7.048 6.901 341 HG23 VAL 46 3HG2 VAL 46 2.775 -5.526 6.615 342 H LEU 47 H LEU 47 0.494 -6.117 6.265 343 HA LEU 47 HA LEU 47 -0.053 -9.007 6.238 344 HB2 LEU 47 1HB LEU 47 -1.187 -6.836 4.481 345 HB3 LEU 47 2HB LEU 47 -1.622 -8.543 4.427 346 HG LEU 47 HG LEU 47 -2.034 -6.962 6.936 347 HD11 LEU 47 1HD1 LEU 47 -3.050 -5.705 5.042 348 HD12 LEU 47 2HD1 LEU 47 -4.217 -6.296 6.224 349 HD13 LEU 47 3HD1 LEU 47 -4.025 -7.130 4.682 350 HD21 LEU 47 1HD2 LEU 47 -4.117 -8.700 6.586 351 HD22 LEU 47 2HD2 LEU 47 -2.664 -9.025 7.532 352 HD23 LEU 47 3HD2 LEU 47 -2.770 -9.578 5.860 353 H SER 48 H SER 48 -0.062 -9.802 3.796 354 HA SER 48 HA SER 48 1.987 -8.682 2.133 355 HB2 SER 48 1HB SER 48 3.661 -10.327 2.336 356 HB3 SER 48 2HB SER 48 3.205 -9.977 4.003 357 HG SER 48 HG SER 48 1.968 -11.848 4.025 358 H HIS 49 H HIS 49 2.596 -10.598 0.436 359 HA HIS 49 HA HIS 49 0.335 -10.981 -1.120 360 HB2 HIS 49 1HB HIS 49 2.759 -11.154 -1.841 361 HB3 HIS 49 2HB HIS 49 2.754 -12.787 -1.182 362 HD1 HIS 49 1HD HIS 49 0.638 -10.809 -3.661 363 HD2 HIS 49 2HD HIS 49 2.174 -14.624 -3.067 364 HE1 HIS 49 1HE HIS 49 -0.053 -12.135 -5.683 365 HE2 HIS 49 2HE HIS 49 0.814 -14.462 -5.262 366 H ALA 50 H ALA 50 1.549 -12.866 1.523 367 HA ALA 50 HA ALA 50 0.149 -15.274 0.949 368 HB1 ALA 50 1HB ALA 50 0.517 -15.595 3.510 369 HB2 ALA 50 2HB ALA 50 1.897 -15.612 2.410 370 HB3 ALA 50 3HB ALA 50 1.534 -14.163 3.348 371 H SER 51 H SER 51 -0.444 -12.903 3.552 372 HA SER 51 HA SER 51 -2.783 -13.679 4.564 373 HB2 SER 51 1HB SER 51 -2.558 -10.804 3.705 374 HB3 SER 51 2HB SER 51 -3.236 -11.463 5.193 375 HG SER 51 HG SER 51 -1.055 -10.462 5.282 376 H ARG 52 H ARG 52 -5.012 -13.402 4.149 377 HA ARG 52 HA ARG 52 -5.656 -13.119 1.288 378 HB2 ARG 52 1HB ARG 52 -5.990 -15.389 2.398 379 HB3 ARG 52 2HB ARG 52 -7.291 -14.640 3.314 380 HG2 ARG 52 1HG ARG 52 -8.243 -13.965 1.029 381 HG3 ARG 52 2HG ARG 52 -7.126 -15.163 0.372 382 HD2 ARG 52 1HD ARG 52 -8.860 -15.960 2.651 383 HD3 ARG 52 2HD ARG 52 -9.606 -15.786 1.064 384 HE ARG 52 HE ARG 52 -7.896 -17.894 1.926 385 HH11 ARG 52 2HH1 ARG 52 -8.823 -16.005 -0.847 386 HH12 ARG 52 1HH1 ARG 52 -8.406 -17.239 -1.990 387 HH21 ARG 52 2HH2 ARG 52 -7.343 -19.526 0.432 388 HH22 ARG 52 1HH2 ARG 52 -7.565 -19.241 -1.262 389 H HIS 53 H HIS 53 -5.496 -10.944 3.193 390 HA HIS 53 HA HIS 53 -7.918 -10.130 4.263 391 HB2 HIS 53 1HB HIS 53 -5.521 -9.043 4.316 392 HB3 HIS 53 2HB HIS 53 -6.137 -8.112 2.954 393 HD1 HIS 53 1HD HIS 53 -8.520 -6.841 3.525 394 HD2 HIS 53 2HD HIS 53 -6.109 -7.953 6.720 395 HE1 HIS 53 1HE HIS 53 -9.300 -5.452 5.471 396 HE2 HIS 53 2HE HIS 53 -7.770 -6.081 7.371 397 HA PRO 54 HA PRO 54 -10.456 -9.551 0.684 398 HB2 PRO 54 1HB PRO 54 -12.483 -8.231 1.916 399 HB3 PRO 54 2HB PRO 54 -12.233 -9.973 2.077 400 HG2 PRO 54 1HG PRO 54 -11.459 -7.767 3.947 401 HG3 PRO 54 2HG PRO 54 -12.177 -9.346 4.316 402 HD2 PRO 54 1HD PRO 54 -9.533 -8.842 4.614 403 HD3 PRO 54 2HD PRO 54 -10.155 -10.442 4.160 404 H ARG 55 H ARG 55 -10.236 -6.767 2.912 405 HA ARG 55 HA ARG 55 -10.657 -4.859 0.828 406 HB2 ARG 55 1HB ARG 55 -9.920 -4.705 3.728 407 HB3 ARG 55 2HB ARG 55 -9.767 -3.276 2.715 408 HG2 ARG 55 1HG ARG 55 -12.166 -3.560 2.086 409 HG3 ARG 55 2HG ARG 55 -12.267 -4.844 3.292 410 HD2 ARG 55 1HD ARG 55 -11.785 -1.912 3.697 411 HD3 ARG 55 2HD ARG 55 -13.034 -2.935 4.406 412 HE ARG 55 HE ARG 55 -11.505 -3.681 5.986 413 HH11 ARG 55 2HH1 ARG 55 -9.963 -1.633 3.631 414 HH12 ARG 55 1HH1 ARG 55 -8.515 -1.433 4.560 415 HH21 ARG 55 2HH2 ARG 55 -9.603 -3.426 7.219 416 HH22 ARG 55 1HH2 ARG 55 -8.311 -2.454 6.601 417 H ILE 56 H ILE 56 -7.833 -5.268 2.971 418 HA ILE 56 HA ILE 56 -6.104 -3.871 1.186 419 HB ILE 56 HB ILE 56 -5.415 -5.620 3.550 420 HG12 ILE 56 1HG1 ILE 56 -5.687 -2.614 3.331 421 HG13 ILE 56 2HG1 ILE 56 -6.840 -3.686 4.117 422 HG21 ILE 56 1HG2 ILE 56 -3.507 -3.560 2.985 423 HG22 ILE 56 2HG2 ILE 56 -3.270 -5.304 3.081 424 HG23 ILE 56 3HG2 ILE 56 -3.746 -4.562 1.554 425 HD11 ILE 56 1HD1 ILE 56 -4.714 -2.383 5.303 426 HD12 ILE 56 2HD1 ILE 56 -5.667 -3.694 5.998 427 HD13 ILE 56 3HD1 ILE 56 -4.165 -4.051 5.147 428 H SER 57 H SER 57 -6.105 -4.903 -0.799 429 HA SER 57 HA SER 57 -5.162 -7.681 -0.876 430 HB2 SER 57 1HB SER 57 -7.250 -6.749 -2.176 431 HB3 SER 57 2HB SER 57 -6.034 -6.181 -3.320 432 HG SER 57 HG SER 57 -5.259 -8.410 -3.322 433 H VAL 58 H VAL 58 -3.106 -8.089 -1.315 434 HA VAL 58 HA VAL 58 -1.384 -5.944 -2.265 435 HB VAL 58 HB VAL 58 -0.660 -8.738 -1.371 436 HG11 VAL 58 1HG1 VAL 58 1.569 -7.269 -1.016 437 HG12 VAL 58 2HG1 VAL 58 1.234 -8.201 -2.477 438 HG13 VAL 58 3HG1 VAL 58 0.895 -6.471 -2.437 439 HG21 VAL 58 1HG2 VAL 58 0.263 -6.784 0.437 440 HG22 VAL 58 2HG2 VAL 58 -1.433 -6.422 0.119 441 HG23 VAL 58 3HG2 VAL 58 -0.968 -8.018 0.708 442 H LEU 59 H LEU 59 -1.810 -5.738 -4.441 443 HA LEU 59 HA LEU 59 -2.170 -7.792 -6.284 444 HB2 LEU 59 1HB LEU 59 -1.073 -5.010 -6.598 445 HB3 LEU 59 2HB LEU 59 -1.352 -6.085 -7.967 446 HG LEU 59 HG LEU 59 -3.772 -6.185 -7.222 447 HD11 LEU 59 1HD1 LEU 59 -3.647 -5.423 -4.985 448 HD12 LEU 59 2HD1 LEU 59 -4.484 -4.166 -5.895 449 HD13 LEU 59 3HD1 LEU 59 -2.788 -3.956 -5.457 450 HD21 LEU 59 1HD2 LEU 59 -2.451 -3.698 -8.257 451 HD22 LEU 59 2HD2 LEU 59 -4.204 -3.814 -8.098 452 HD23 LEU 59 3HD2 LEU 59 -3.337 -4.937 -9.147 453 H ASN 60 H ASN 60 -0.770 -8.724 -7.839 454 HA ASN 60 HA ASN 60 1.623 -9.730 -6.872 455 HB2 ASN 60 1HB ASN 60 1.222 -9.397 -9.824 456 HB3 ASN 60 2HB ASN 60 1.889 -10.765 -8.939 457 HD21 ASN 60 1HD2 ASN 60 -0.480 -10.153 -10.867 458 HD22 ASN 60 2HD2 ASN 60 -1.775 -11.053 -10.161 459 H ASP 61 H ASP 61 1.052 -6.932 -8.956 460 HA ASP 61 HA ASP 61 3.736 -6.337 -9.529 461 HB2 ASP 61 1HB ASP 61 1.294 -4.563 -9.386 462 HB3 ASP 61 2HB ASP 61 2.863 -4.010 -9.964 463 H GLY 62 H GLY 62 1.974 -6.082 -6.629 464 HA2 GLY 62 1HA GLY 62 3.153 -5.695 -4.571 465 HA3 GLY 62 2HA GLY 62 4.202 -4.576 -5.429 466 H THR 63 H THR 63 0.889 -4.318 -6.199 467 HA THR 63 HA THR 63 0.772 -1.737 -4.858 468 HB THR 63 HB THR 63 -1.224 -3.012 -6.740 469 HG1 THR 63 1HG THR 63 0.842 -1.098 -7.190 470 HG21 THR 63 1HG2 THR 63 -1.125 -0.432 -5.281 471 HG22 THR 63 2HG2 THR 63 -2.513 -1.397 -5.784 472 HG23 THR 63 3HG2 THR 63 -1.671 -0.384 -6.957 473 H LEU 64 H LEU 64 -0.941 -1.109 -3.479 474 HA LEU 64 HA LEU 64 -2.244 -3.369 -2.112 475 HB2 LEU 64 1HB LEU 64 -0.505 -1.823 -0.935 476 HB3 LEU 64 2HB LEU 64 -1.855 -0.693 -0.843 477 HG LEU 64 HG LEU 64 -3.141 -2.432 0.394 478 HD11 LEU 64 1HD1 LEU 64 -1.383 -4.130 1.470 479 HD12 LEU 64 2HD1 LEU 64 -0.656 -3.946 -0.126 480 HD13 LEU 64 3HD1 LEU 64 -2.321 -4.508 0.025 481 HD21 LEU 64 1HD2 LEU 64 -2.239 -1.858 2.443 482 HD22 LEU 64 2HD2 LEU 64 -1.619 -0.582 1.395 483 HD23 LEU 64 3HD2 LEU 64 -0.579 -1.932 1.851 484 H ASN 65 H ASN 65 -4.238 -3.492 -2.978 485 HA ASN 65 HA ASN 65 -5.758 -1.057 -3.485 486 HB2 ASN 65 1HB ASN 65 -5.785 -2.808 -5.199 487 HB3 ASN 65 2HB ASN 65 -6.433 -3.957 -4.032 488 HD21 ASN 65 1HD2 ASN 65 -7.169 -1.712 -6.395 489 HD22 ASN 65 2HD2 ASN 65 -8.864 -1.562 -6.095 490 H PHE 66 H PHE 66 -7.784 -0.628 -2.559 491 HA PHE 66 HA PHE 66 -8.442 -2.194 -0.157 492 HB2 PHE 66 1HB PHE 66 -8.414 0.821 -0.402 493 HB3 PHE 66 2HB PHE 66 -9.047 -0.067 0.980 494 HD1 PHE 66 1HD PHE 66 -5.930 -0.011 -1.077 495 HD2 PHE 66 2HD PHE 66 -7.672 -0.192 2.802 496 HE1 PHE 66 1HE PHE 66 -3.684 -0.037 -0.073 497 HE2 PHE 66 2HE PHE 66 -5.429 -0.217 3.812 498 HZ PHE 66 HZ PHE 66 -3.431 -0.139 2.374 499 H SER 67 H SER 67 -10.308 -3.157 -0.640 500 HA SER 67 HA SER 67 -12.157 -2.497 -2.544 501 HB2 SER 67 1HB SER 67 -12.509 -3.888 0.109 502 HB3 SER 67 2HB SER 67 -13.832 -3.726 -1.046 503 HG SER 67 HG SER 67 -11.386 -4.723 -1.961 504 H HIS 68 H HIS 68 -12.325 -1.594 0.899 505 HA HIS 68 HA HIS 68 -13.604 0.907 0.203 506 HB2 HIS 68 1HB HIS 68 -15.556 0.547 1.652 507 HB3 HIS 68 2HB HIS 68 -15.525 -0.606 0.321 508 HD1 HIS 68 1HD HIS 68 -14.569 -3.060 1.003 509 HD2 HIS 68 2HD HIS 68 -15.788 -0.587 4.111 510 HE1 HIS 68 1HE HIS 68 -14.895 -4.577 2.982 511 HE2 HIS 68 2HE HIS 68 -15.715 -3.071 4.827 512 H VAL 69 H VAL 69 -12.194 2.189 1.233 513 HA VAL 69 HA VAL 69 -10.893 1.511 3.663 514 HB VAL 69 HB VAL 69 -10.121 3.853 3.686 515 HG11 VAL 69 1HG1 VAL 69 -9.445 3.609 1.008 516 HG12 VAL 69 2HG1 VAL 69 -8.559 2.946 2.383 517 HG13 VAL 69 3HG1 VAL 69 -9.745 1.953 1.534 518 HG21 VAL 69 1HG2 VAL 69 -11.226 4.559 1.088 519 HG22 VAL 69 2HG2 VAL 69 -12.462 4.384 2.333 520 HG23 VAL 69 3HG2 VAL 69 -11.124 5.509 2.570 521 H LEU 70 H LEU 70 -11.089 2.599 5.710 522 HA LEU 70 HA LEU 70 -13.747 3.750 6.222 523 HB2 LEU 70 1HB LEU 70 -12.382 1.950 8.192 524 HB3 LEU 70 2HB LEU 70 -14.070 2.457 8.145 525 HG LEU 70 HG LEU 70 -13.017 0.765 5.927 526 HD11 LEU 70 1HD1 LEU 70 -14.165 -0.881 7.959 527 HD12 LEU 70 2HD1 LEU 70 -12.785 -0.008 8.624 528 HD13 LEU 70 3HD1 LEU 70 -12.586 -1.006 7.184 529 HD21 LEU 70 1HD2 LEU 70 -15.620 1.443 7.176 530 HD22 LEU 70 2HD2 LEU 70 -15.441 -0.171 6.486 531 HD23 LEU 70 3HD2 LEU 70 -15.191 1.254 5.475 532 H LEU 71 H LEU 71 -13.863 5.049 8.191 533 HA LEU 71 HA LEU 71 -11.863 6.966 8.358 534 HB2 LEU 71 1HB LEU 71 -13.982 6.187 10.351 535 HB3 LEU 71 2HB LEU 71 -12.959 7.612 10.521 536 HG LEU 71 HG LEU 71 -14.838 7.141 8.209 537 HD11 LEU 71 1HD1 LEU 71 -16.385 8.603 9.253 538 HD12 LEU 71 2HD1 LEU 71 -15.254 8.984 10.551 539 HD13 LEU 71 3HD1 LEU 71 -15.964 7.373 10.444 540 HD21 LEU 71 1HD2 LEU 71 -13.961 9.846 8.935 541 HD22 LEU 71 2HD2 LEU 71 -14.126 9.090 7.350 542 HD23 LEU 71 3HD2 LEU 71 -12.686 8.791 8.325 543 H SER 72 H SER 72 -11.987 3.845 9.739 544 HA SER 72 HA SER 72 -10.084 4.438 11.850 545 HB2 SER 72 1HB SER 72 -11.177 1.761 10.951 546 HB3 SER 72 2HB SER 72 -10.293 2.085 12.443 547 HG SER 72 HG SER 72 -12.310 2.255 13.130 548 H ASP 73 H ASP 73 -10.061 3.438 8.577 549 HA ASP 73 HA ASP 73 -7.514 2.103 8.658 550 HB2 ASP 73 1HB ASP 73 -9.386 2.962 6.475 551 HB3 ASP 73 2HB ASP 73 -7.748 2.448 6.083 552 H THR 74 H THR 74 -8.563 5.337 8.547 553 HA THR 74 HA THR 74 -6.632 6.614 7.022 554 HB THR 74 HB THR 74 -7.912 7.590 9.582 555 HG1 THR 74 1HG THR 74 -9.594 7.901 8.348 556 HG21 THR 74 1HG2 THR 74 -5.743 8.717 8.449 557 HG22 THR 74 2HG2 THR 74 -7.004 9.643 9.263 558 HG23 THR 74 3HG2 THR 74 -7.015 9.492 7.506 559 H GLY 75 H GLY 75 -4.503 6.893 7.208 560 HA2 GLY 75 1HA GLY 75 -3.018 7.489 9.423 561 HA3 GLY 75 2HA GLY 75 -3.090 5.733 9.425 562 H VAL 76 H VAL 76 -0.827 5.630 9.125 563 HA VAL 76 HA VAL 76 0.099 6.454 6.452 564 HB VAL 76 HB VAL 76 1.570 6.121 9.051 565 HG11 VAL 76 1HG1 VAL 76 3.570 6.716 7.365 566 HG12 VAL 76 2HG1 VAL 76 3.167 5.066 7.845 567 HG13 VAL 76 3HG1 VAL 76 2.583 5.706 6.308 568 HG21 VAL 76 1HG2 VAL 76 2.336 8.361 8.601 569 HG22 VAL 76 2HG2 VAL 76 1.585 8.338 7.006 570 HG23 VAL 76 3HG2 VAL 76 0.579 8.314 8.454 571 H TYR 77 H TYR 77 0.844 4.961 5.054 572 HA TYR 77 HA TYR 77 0.981 2.174 6.002 573 HB2 TYR 77 1HB TYR 77 0.090 3.274 3.333 574 HB3 TYR 77 2HB TYR 77 0.398 1.565 3.624 575 HD1 TYR 77 2HD TYR 77 -1.752 4.418 4.592 576 HD2 TYR 77 1HD TYR 77 -1.215 0.198 4.690 577 HE1 TYR 77 2HE TYR 77 -4.056 4.149 5.411 578 HE2 TYR 77 1HE TYR 77 -3.517 -0.082 5.509 579 HH TYR 77 HH TYR 77 -5.361 2.450 6.712 580 H THR 78 H THR 78 2.938 1.315 5.960 581 HA THR 78 HA THR 78 4.956 2.470 4.156 582 HB THR 78 HB THR 78 5.422 0.800 6.634 583 HG1 THR 78 1HG THR 78 4.690 2.741 7.364 584 HG21 THR 78 1HG2 THR 78 7.647 0.955 6.245 585 HG22 THR 78 2HG2 THR 78 7.518 2.562 5.530 586 HG23 THR 78 3HG2 THR 78 7.127 1.135 4.571 587 H CYS 79 H CYS 79 5.780 1.278 2.559 588 HA CYS 79 HA CYS 79 4.998 -1.543 2.400 589 HB2 CYS 79 1HB CYS 79 4.369 -0.098 0.506 590 HB3 CYS 79 2HB CYS 79 6.063 0.297 0.247 591 HG CYS 79 HG CYS 79 6.449 -1.594 -1.430 592 H MET 80 H MET 80 6.443 -3.128 2.609 593 HA MET 80 HA MET 80 9.259 -2.399 2.906 594 HB2 MET 80 1HB MET 80 7.966 -5.060 3.506 595 HB3 MET 80 2HB MET 80 9.545 -4.497 4.037 596 HG2 MET 80 1HG MET 80 8.376 -2.704 5.329 597 HG3 MET 80 2HG MET 80 6.855 -3.495 4.923 598 HE1 MET 80 1HE MET 80 6.331 -5.325 7.966 599 HE2 MET 80 2HE MET 80 6.758 -3.618 8.080 600 HE3 MET 80 3HE MET 80 5.813 -4.201 6.709 601 H VAL 81 H VAL 81 10.891 -3.279 1.686 602 HA VAL 81 HA VAL 81 10.158 -5.140 -0.460 603 HB VAL 81 HB VAL 81 11.705 -2.580 -0.891 604 HG11 VAL 81 1HG1 VAL 81 11.112 -4.896 -2.719 605 HG12 VAL 81 2HG1 VAL 81 11.618 -3.309 -3.301 606 HG13 VAL 81 3HG1 VAL 81 12.687 -4.250 -2.260 607 HG21 VAL 81 1HG2 VAL 81 9.548 -1.840 -0.959 608 HG22 VAL 81 2HG2 VAL 81 9.713 -2.392 -2.626 609 HG23 VAL 81 3HG2 VAL 81 8.905 -3.412 -1.435 610 H THR 82 H THR 82 11.400 -6.857 -0.114 611 HA THR 82 HA THR 82 14.256 -6.422 0.462 612 HB THR 82 HB THR 82 12.742 -8.811 1.497 613 HG1 THR 82 1HG THR 82 12.942 -7.487 3.556 614 HG21 THR 82 1HG2 THR 82 15.011 -9.268 1.624 615 HG22 THR 82 2HG2 THR 82 14.691 -8.567 3.210 616 HG23 THR 82 3HG2 THR 82 15.436 -7.588 1.947 617 H ASN 83 H ASN 83 15.366 -7.016 -1.279 618 HA ASN 83 HA ASN 83 14.529 -9.455 -2.705 619 HB2 ASN 83 1HB ASN 83 16.094 -7.229 -3.993 620 HB3 ASN 83 2HB ASN 83 15.169 -8.513 -4.768 621 HD21 ASN 83 1HD2 ASN 83 14.488 -6.393 -5.865 622 HD22 ASN 83 2HD2 ASN 83 13.062 -5.653 -5.230 623 H VAL 84 H VAL 84 16.408 -10.435 -3.975 624 HA VAL 84 HA VAL 84 18.471 -11.100 -2.137 625 HB VAL 84 HB VAL 84 17.580 -12.660 -3.869 626 HG11 VAL 84 1HG1 VAL 84 19.369 -11.741 -5.969 627 HG12 VAL 84 2HG1 VAL 84 17.678 -12.239 -6.059 628 HG13 VAL 84 3HG1 VAL 84 18.088 -10.583 -5.611 629 HG21 VAL 84 1HG2 VAL 84 20.557 -12.174 -3.909 630 HG22 VAL 84 2HG2 VAL 84 19.671 -13.144 -2.733 631 HG23 VAL 84 3HG2 VAL 84 19.759 -13.664 -4.416 632 H ALA 85 H ALA 85 18.174 -8.766 -4.681 633 HA ALA 85 HA ALA 85 21.023 -8.299 -4.888 634 HB1 ALA 85 1HB ALA 85 19.717 -8.039 -6.885 635 HB2 ALA 85 2HB ALA 85 18.663 -6.865 -6.096 636 HB3 ALA 85 3HB ALA 85 20.350 -6.461 -6.417 637 H GLY 86 H GLY 86 18.198 -6.411 -3.792 638 HA2 GLY 86 1HA GLY 86 19.822 -5.205 -1.706 639 HA3 GLY 86 2HA GLY 86 19.245 -4.098 -2.943 640 H ASN 87 H ASN 87 18.411 -3.365 -0.627 641 HA ASN 87 HA ASN 87 15.643 -4.351 -0.434 642 HB2 ASN 87 1HB ASN 87 17.065 -3.257 1.969 643 HB3 ASN 87 2HB ASN 87 15.686 -4.350 1.894 644 HD21 ASN 87 1HD2 ASN 87 18.659 -4.283 2.929 645 HD22 ASN 87 2HD2 ASN 87 19.194 -5.887 2.574 646 H SER 88 H SER 88 14.114 -2.769 0.447 647 HA SER 88 HA SER 88 14.801 -0.020 0.668 648 HB2 SER 88 1HB SER 88 13.477 0.717 -1.366 649 HB3 SER 88 2HB SER 88 15.039 -0.027 -1.709 650 HG SER 88 HG SER 88 12.485 -0.923 -2.266 651 H ASN 89 H ASN 89 12.744 1.367 0.670 652 HA ASN 89 HA ASN 89 10.279 -0.024 1.210 653 HB2 ASN 89 1HB ASN 89 10.051 0.796 3.525 654 HB3 ASN 89 2HB ASN 89 11.408 -0.314 3.357 655 HD21 ASN 89 1HD2 ASN 89 11.466 1.152 5.521 656 HD22 ASN 89 2HD2 ASN 89 12.609 2.444 5.406 657 H ALA 90 H ALA 90 8.502 1.487 1.711 658 HA ALA 90 HA ALA 90 9.044 4.279 1.022 659 HB1 ALA 90 1HB ALA 90 7.277 2.414 -0.517 660 HB2 ALA 90 2HB ALA 90 6.964 4.150 -0.494 661 HB3 ALA 90 3HB ALA 90 8.498 3.539 -1.112 662 H SER 91 H SER 91 6.856 5.541 1.154 663 HA SER 91 HA SER 91 5.088 4.480 3.215 664 HB2 SER 91 1HB SER 91 6.651 7.051 3.556 665 HB3 SER 91 2HB SER 91 5.338 6.521 4.607 666 HG SER 91 HG SER 91 7.904 5.406 4.270 667 H ALA 92 H ALA 92 3.176 5.852 3.553 668 HA ALA 92 HA ALA 92 2.575 8.027 1.843 669 HB1 ALA 92 1HB ALA 92 0.769 6.757 0.538 670 HB2 ALA 92 2HB ALA 92 2.445 6.575 0.020 671 HB3 ALA 92 3HB ALA 92 1.672 5.304 0.967 672 H TYR 93 H TYR 93 0.915 9.137 2.686 673 HA TYR 93 HA TYR 93 -0.546 7.924 4.901 674 HB2 TYR 93 1HB TYR 93 0.556 10.140 5.184 675 HB3 TYR 93 2HB TYR 93 -0.532 10.803 3.970 676 HD1 TYR 93 2HD TYR 93 -3.014 10.812 4.446 677 HD2 TYR 93 1HD TYR 93 -0.113 9.946 7.436 678 HE1 TYR 93 2HE TYR 93 -4.680 11.289 6.192 679 HE2 TYR 93 1HE TYR 93 -1.771 10.419 9.190 680 HH TYR 93 HH TYR 93 -3.905 11.806 9.381 681 H LEU 94 H LEU 94 -2.715 7.598 4.941 682 HA LEU 94 HA LEU 94 -4.188 8.189 2.459 683 HB2 LEU 94 1HB LEU 94 -3.932 5.834 2.672 684 HB3 LEU 94 2HB LEU 94 -4.408 5.875 4.368 685 HG LEU 94 HG LEU 94 -6.690 6.686 3.487 686 HD11 LEU 94 1HD1 LEU 94 -7.262 6.263 1.270 687 HD12 LEU 94 2HD1 LEU 94 -5.832 5.270 0.989 688 HD13 LEU 94 3HD1 LEU 94 -5.672 7.019 1.153 689 HD21 LEU 94 1HD2 LEU 94 -6.074 3.871 2.693 690 HD22 LEU 94 2HD2 LEU 94 -7.480 4.517 3.541 691 HD23 LEU 94 3HD2 LEU 94 -5.936 4.363 4.382 692 H ASN 95 H ASN 95 -5.816 9.571 2.643 693 HA ASN 95 HA ASN 95 -6.850 10.180 5.320 694 HB2 ASN 95 1HB ASN 95 -5.980 12.101 4.116 695 HB3 ASN 95 2HB ASN 95 -7.008 11.739 2.733 696 HD21 ASN 95 1HD2 ASN 95 -7.635 14.007 3.118 697 HD22 ASN 95 2HD2 ASN 95 -8.920 14.317 4.231 698 H VAL 96 H VAL 96 -8.859 9.649 5.895 699 HA VAL 96 HA VAL 96 -10.776 8.912 3.782 700 HB VAL 96 HB VAL 96 -10.620 7.519 6.451 701 HG11 VAL 96 1HG1 VAL 96 -12.557 6.635 5.828 702 HG12 VAL 96 2HG1 VAL 96 -12.504 7.535 4.311 703 HG13 VAL 96 3HG1 VAL 96 -11.769 5.935 4.414 704 HG21 VAL 96 1HG2 VAL 96 -9.472 6.613 3.812 705 HG22 VAL 96 2HG2 VAL 96 -8.547 7.098 5.233 706 HG23 VAL 96 3HG2 VAL 96 -9.550 5.649 5.286 707 H SER 97 H SER 97 -12.559 10.095 3.851 708 HA SER 97 HA SER 97 -13.419 11.202 6.444 709 HB2 SER 97 1HB SER 97 -12.445 12.883 4.799 710 HB3 SER 97 2HB SER 97 -13.850 12.563 3.782 711 HG SER 97 HG SER 97 -14.809 13.992 4.977 712 H SER 98 H SER 98 -15.583 11.151 6.919 713 HA SER 98 HA SER 98 -17.148 9.129 5.786 714 HB2 SER 98 1HB SER 98 -18.927 9.902 7.210 715 HB3 SER 98 2HB SER 98 -17.414 10.100 8.093 716 HG SER 98 HG SER 98 -17.806 12.152 8.188 717 H GLY 99 H GLY 99 -19.353 9.441 4.835 718 HA2 GLY 99 1HA GLY 99 -19.918 11.849 3.394 719 HA3 GLY 99 2HA GLY 99 -19.259 10.602 2.346 720 HA PRO 100 HA PRO 100 -23.937 10.100 3.281 721 HB2 PRO 100 1HB PRO 100 -24.987 11.364 1.120 722 HB3 PRO 100 2HB PRO 100 -24.690 12.180 2.660 723 HG2 PRO 100 1HG PRO 100 -23.033 12.180 0.167 724 HG3 PRO 100 2HG PRO 100 -23.443 13.532 1.238 725 HD2 PRO 100 1HD PRO 100 -21.051 12.267 1.338 726 HD3 PRO 100 2HD PRO 100 -21.820 12.970 2.775 727 H SER 101 H SER 101 -23.507 7.926 2.793 728 HA SER 101 HA SER 101 -22.817 6.922 0.272 729 HB2 SER 101 1HB SER 101 -22.919 5.774 2.641 730 HB3 SER 101 2HB SER 101 -24.541 5.318 2.122 731 HG SER 101 HG SER 101 -23.154 3.707 1.480 732 H SER 102 H SER 102 -25.991 7.369 1.789 733 HA SER 102 HA SER 102 -27.461 6.309 -0.406 734 HB2 SER 102 1HB SER 102 -28.414 6.361 1.846 735 HB3 SER 102 2HB SER 102 -28.352 8.123 1.850 736 HG SER 102 HG SER 102 -29.782 6.661 -0.104 737 H GLY 103 H GLY 103 -28.322 7.288 -2.163 738 HA2 GLY 103 1HA GLY 103 -27.469 10.048 -2.665 739 HA3 GLY 103 2HA GLY 103 -27.984 8.889 -3.882 Start of MODEL 19 1 H1 GLY 1 H GLY 1 24.355 15.343 0.051 2 HA2 GLY 1 1HA GLY 1 26.385 16.131 -1.849 3 HA3 GLY 1 2HA GLY 1 26.481 14.446 -1.359 4 H SER 2 H SER 2 25.814 13.357 -3.111 5 HA SER 2 HA SER 2 23.484 14.281 -4.597 6 HB2 SER 2 1HB SER 2 24.063 12.364 -6.126 7 HB3 SER 2 2HB SER 2 25.335 13.572 -5.956 8 HG SER 2 HG SER 2 25.799 11.153 -5.722 9 H SER 3 H SER 3 21.509 13.431 -4.426 10 HA SER 3 HA SER 3 20.994 11.456 -2.403 11 HB2 SER 3 1HB SER 3 19.421 13.268 -2.629 12 HB3 SER 3 2HB SER 3 19.171 12.903 -4.336 13 HG SER 3 HG SER 3 17.695 12.046 -2.459 14 H GLY 4 H GLY 4 20.227 11.619 -5.889 15 HA2 GLY 4 1HA GLY 4 21.182 9.358 -6.889 16 HA3 GLY 4 2HA GLY 4 19.856 8.724 -5.926 17 H SER 5 H SER 5 20.407 8.870 -8.894 18 HA SER 5 HA SER 5 18.392 10.619 -9.952 19 HB2 SER 5 1HB SER 5 20.246 8.565 -11.095 20 HB3 SER 5 2HB SER 5 18.870 9.105 -12.057 21 HG SER 5 HG SER 5 21.123 10.290 -11.955 22 H SER 6 H SER 6 18.719 7.072 -9.784 23 HA SER 6 HA SER 6 15.877 6.777 -10.355 24 HB2 SER 6 1HB SER 6 17.825 5.324 -11.319 25 HB3 SER 6 2HB SER 6 17.719 4.478 -9.776 26 HG SER 6 HG SER 6 15.343 4.935 -11.158 27 H GLY 7 H GLY 7 18.161 5.580 -7.883 28 HA2 GLY 7 1HA GLY 7 17.633 5.912 -5.530 29 HA3 GLY 7 2HA GLY 7 15.938 5.699 -5.944 30 HA PRO 8 HA PRO 8 17.232 1.669 -4.226 31 HB2 PRO 8 1HB PRO 8 14.787 1.091 -3.197 32 HB3 PRO 8 2HB PRO 8 15.971 2.097 -2.354 33 HG2 PRO 8 1HG PRO 8 13.598 2.924 -3.981 34 HG3 PRO 8 2HG PRO 8 14.170 3.567 -2.430 35 HD2 PRO 8 1HD PRO 8 14.655 4.806 -4.789 36 HD3 PRO 8 2HD PRO 8 15.790 4.871 -3.425 37 H PHE 9 H PHE 9 15.673 -0.448 -4.294 38 HA PHE 9 HA PHE 9 15.481 -1.106 -7.038 39 HB2 PHE 9 1HB PHE 9 14.748 -2.489 -4.483 40 HB3 PHE 9 2HB PHE 9 14.217 -3.165 -6.019 41 HD1 PHE 9 2HD PHE 9 17.207 -2.149 -4.092 42 HD2 PHE 9 1HD PHE 9 15.683 -4.399 -7.368 43 HE1 PHE 9 2HE PHE 9 19.402 -3.225 -4.370 44 HE2 PHE 9 1HE PHE 9 17.875 -5.480 -7.650 45 HZ PHE 9 HZ PHE 9 19.739 -4.892 -6.151 46 H ILE 10 H ILE 10 13.069 -0.308 -4.582 47 HA ILE 10 HA ILE 10 10.725 -0.920 -5.845 48 HB ILE 10 HB ILE 10 11.283 1.588 -4.258 49 HG12 ILE 10 1HG1 ILE 10 10.037 -0.984 -3.292 50 HG13 ILE 10 2HG1 ILE 10 11.768 -0.680 -3.192 51 HG21 ILE 10 1HG2 ILE 10 9.035 0.999 -5.745 52 HG22 ILE 10 2HG2 ILE 10 8.600 0.488 -4.115 53 HG23 ILE 10 3HG2 ILE 10 9.129 2.144 -4.407 54 HD11 ILE 10 1HD1 ILE 10 9.701 1.123 -1.968 55 HD12 ILE 10 2HD1 ILE 10 10.472 -0.211 -1.109 56 HD13 ILE 10 3HD1 ILE 10 11.445 1.134 -1.702 57 H MET 11 H MET 11 10.722 -0.680 -8.057 58 HA MET 11 HA MET 11 11.600 1.418 -9.585 59 HB2 MET 11 1HB MET 11 9.158 -0.310 -10.009 60 HB3 MET 11 2HB MET 11 9.842 0.749 -11.236 61 HG2 MET 11 1HG MET 11 11.568 -1.300 -9.929 62 HG3 MET 11 2HG MET 11 10.440 -1.780 -11.195 63 HE1 MET 11 1HE MET 11 14.412 -1.255 -12.305 64 HE2 MET 11 2HE MET 11 13.726 -1.693 -10.740 65 HE3 MET 11 3HE MET 11 13.230 -2.559 -12.195 66 H ASP 12 H ASP 12 8.316 1.040 -8.252 67 HA ASP 12 HA ASP 12 7.977 3.955 -8.534 68 HB2 ASP 12 1HB ASP 12 5.871 1.793 -8.742 69 HB3 ASP 12 2HB ASP 12 5.545 3.524 -8.771 70 H ALA 13 H ALA 13 7.191 5.088 -6.811 71 HA ALA 13 HA ALA 13 6.814 3.562 -4.318 72 HB1 ALA 13 1HB ALA 13 8.639 4.801 -3.781 73 HB2 ALA 13 2HB ALA 13 8.236 6.092 -4.914 74 HB3 ALA 13 3HB ALA 13 7.393 5.979 -3.369 75 HA PRO 14 HA PRO 14 2.690 5.088 -4.102 76 HB2 PRO 14 1HB PRO 14 2.287 4.865 -1.427 77 HB3 PRO 14 2HB PRO 14 2.335 3.469 -2.510 78 HG2 PRO 14 1HG PRO 14 4.482 4.562 -0.733 79 HG3 PRO 14 2HG PRO 14 4.010 2.875 -1.010 80 HD2 PRO 14 1HD PRO 14 6.159 4.002 -2.210 81 HD3 PRO 14 2HD PRO 14 5.184 2.740 -2.989 82 H ARG 15 H ARG 15 1.600 6.974 -3.720 83 HA ARG 15 HA ARG 15 3.030 9.055 -2.200 84 HB2 ARG 15 1HB ARG 15 2.980 9.283 -4.760 85 HB3 ARG 15 2HB ARG 15 1.267 9.633 -4.570 86 HG2 ARG 15 1HG ARG 15 1.654 11.650 -3.533 87 HG3 ARG 15 2HG ARG 15 3.265 11.180 -2.987 88 HD2 ARG 15 1HD ARG 15 2.633 11.489 -5.903 89 HD3 ARG 15 2HD ARG 15 3.068 12.879 -4.909 90 HE ARG 15 HE ARG 15 5.069 11.169 -4.392 91 HH11 ARG 15 2HH1 ARG 15 3.636 12.249 -7.375 92 HH12 ARG 15 1HH1 ARG 15 5.099 12.087 -8.288 93 HH21 ARG 15 2HH2 ARG 15 7.002 10.952 -5.583 94 HH22 ARG 15 1HH2 ARG 15 7.013 11.348 -7.268 95 H ASP 16 H ASP 16 1.729 10.626 -1.137 96 HA ASP 16 HA ASP 16 -0.338 9.729 0.379 97 HB2 ASP 16 1HB ASP 16 -1.051 12.186 0.532 98 HB3 ASP 16 2HB ASP 16 0.608 11.803 0.983 99 H LEU 17 H LEU 17 -2.533 9.563 0.255 100 HA LEU 17 HA LEU 17 -3.829 10.360 -2.257 101 HB2 LEU 17 1HB LEU 17 -3.369 8.024 -2.507 102 HB3 LEU 17 2HB LEU 17 -4.005 7.677 -0.901 103 HG LEU 17 HG LEU 17 -6.261 8.326 -1.713 104 HD11 LEU 17 1HD1 LEU 17 -5.141 8.205 -4.489 105 HD12 LEU 17 2HD1 LEU 17 -5.263 9.730 -3.612 106 HD13 LEU 17 3HD1 LEU 17 -6.716 8.788 -3.950 107 HD21 LEU 17 1HD2 LEU 17 -6.325 6.315 -3.429 108 HD22 LEU 17 2HD2 LEU 17 -6.083 6.052 -1.702 109 HD23 LEU 17 3HD2 LEU 17 -4.701 6.042 -2.798 110 H ASN 18 H ASN 18 -6.067 10.781 -2.109 111 HA ASN 18 HA ASN 18 -7.140 10.947 0.626 112 HB2 ASN 18 1HB ASN 18 -8.277 13.109 -0.208 113 HB3 ASN 18 2HB ASN 18 -6.569 13.186 0.215 114 HD21 ASN 18 1HD2 ASN 18 -5.071 13.594 -1.346 115 HD22 ASN 18 2HD2 ASN 18 -5.480 14.017 -2.971 116 H ILE 19 H ILE 19 -8.768 9.540 0.668 117 HA ILE 19 HA ILE 19 -10.763 9.672 -1.489 118 HB ILE 19 HB ILE 19 -9.360 7.636 -1.750 119 HG12 ILE 19 1HG1 ILE 19 -12.060 6.682 -0.894 120 HG13 ILE 19 2HG1 ILE 19 -11.958 7.878 -2.181 121 HG21 ILE 19 1HG2 ILE 19 -9.296 5.921 -0.152 122 HG22 ILE 19 2HG2 ILE 19 -9.036 7.403 0.767 123 HG23 ILE 19 3HG2 ILE 19 -10.617 6.623 0.780 124 HD11 ILE 19 1HD1 ILE 19 -11.506 6.288 -3.642 125 HD12 ILE 19 2HD1 ILE 19 -10.090 5.798 -2.711 126 HD13 ILE 19 3HD1 ILE 19 -11.666 5.087 -2.362 127 H SER 20 H SER 20 -12.911 9.061 -0.872 128 HA SER 20 HA SER 20 -13.515 9.823 1.855 129 HB2 SER 20 1HB SER 20 -15.343 9.130 -0.457 130 HB3 SER 20 2HB SER 20 -15.871 9.767 1.100 131 HG SER 20 HG SER 20 -15.584 11.627 0.158 132 H GLU 21 H GLU 21 -14.959 8.585 3.219 133 HA GLU 21 HA GLU 21 -14.156 5.895 3.489 134 HB2 GLU 21 1HB GLU 21 -14.795 6.950 5.481 135 HB3 GLU 21 2HB GLU 21 -16.283 7.573 4.783 136 HG2 GLU 21 1HG GLU 21 -17.138 5.243 4.677 137 HG3 GLU 21 2HG GLU 21 -15.689 4.722 5.535 138 H GLY 22 H GLY 22 -15.016 4.019 2.796 139 HA2 GLY 22 1HA GLY 22 -16.609 2.551 1.939 140 HA3 GLY 22 2HA GLY 22 -17.739 3.891 1.814 141 H ARG 23 H ARG 23 -14.483 3.712 0.454 142 HA ARG 23 HA ARG 23 -15.621 3.463 -2.233 143 HB2 ARG 23 1HB ARG 23 -13.704 5.640 -1.380 144 HB3 ARG 23 2HB ARG 23 -14.170 5.304 -3.042 145 HG2 ARG 23 1HG ARG 23 -16.598 5.631 -2.043 146 HG3 ARG 23 2HG ARG 23 -15.708 6.592 -0.861 147 HD2 ARG 23 1HD ARG 23 -15.040 8.143 -2.423 148 HD3 ARG 23 2HD ARG 23 -15.166 7.002 -3.762 149 HE ARG 23 HE ARG 23 -17.735 7.373 -2.833 150 HH11 ARG 23 2HH1 ARG 23 -15.206 9.354 -4.173 151 HH12 ARG 23 1HH1 ARG 23 -16.298 10.488 -4.895 152 HH21 ARG 23 2HH2 ARG 23 -19.183 8.859 -3.780 153 HH22 ARG 23 1HH2 ARG 23 -18.560 10.206 -4.671 154 H MET 24 H MET 24 -13.891 3.093 -3.891 155 HA MET 24 HA MET 24 -12.050 1.107 -2.879 156 HB2 MET 24 1HB MET 24 -13.489 1.121 -5.102 157 HB3 MET 24 2HB MET 24 -12.075 1.945 -5.744 158 HG2 MET 24 1HG MET 24 -10.729 0.106 -5.530 159 HG3 MET 24 2HG MET 24 -11.693 -0.582 -4.225 160 HE1 MET 24 1HE MET 24 -12.061 -3.430 -6.647 161 HE2 MET 24 2HE MET 24 -10.728 -2.389 -7.148 162 HE3 MET 24 3HE MET 24 -11.032 -2.669 -5.433 163 H ALA 25 H ALA 25 -9.891 1.291 -2.678 164 HA ALA 25 HA ALA 25 -8.608 3.736 -3.700 165 HB1 ALA 25 1HB ALA 25 -7.182 3.189 -1.430 166 HB2 ALA 25 2HB ALA 25 -8.446 4.411 -1.574 167 HB3 ALA 25 3HB ALA 25 -8.833 2.812 -0.939 168 H GLU 26 H GLU 26 -6.241 3.557 -3.887 169 HA GLU 26 HA GLU 26 -5.059 0.932 -3.863 170 HB2 GLU 26 1HB GLU 26 -5.428 2.346 -6.510 171 HB3 GLU 26 2HB GLU 26 -4.537 0.853 -6.251 172 HG2 GLU 26 1HG GLU 26 -6.616 -0.242 -5.535 173 HG3 GLU 26 2HG GLU 26 -7.495 1.250 -5.862 174 H LEU 27 H LEU 27 -2.853 1.006 -3.789 175 HA LEU 27 HA LEU 27 -1.658 3.694 -3.824 176 HB2 LEU 27 1HB LEU 27 -1.063 1.213 -2.261 177 HB3 LEU 27 2HB LEU 27 0.184 2.436 -2.496 178 HG LEU 27 HG LEU 27 -2.454 3.280 -1.395 179 HD11 LEU 27 1HD1 LEU 27 -1.684 2.756 0.875 180 HD12 LEU 27 2HD1 LEU 27 -0.303 1.893 0.199 181 HD13 LEU 27 3HD1 LEU 27 -1.939 1.302 -0.090 182 HD21 LEU 27 1HD2 LEU 27 0.289 4.280 -1.583 183 HD22 LEU 27 2HD2 LEU 27 -0.451 4.496 0.004 184 HD23 LEU 27 3HD2 LEU 27 -1.234 5.157 -1.432 185 H LYS 28 H LYS 28 -0.190 4.165 -5.321 186 HA LYS 28 HA LYS 28 0.558 2.223 -7.288 187 HB2 LYS 28 1HB LYS 28 1.151 5.131 -6.851 188 HB3 LYS 28 2HB LYS 28 2.056 4.219 -8.052 189 HG2 LYS 28 1HG LYS 28 -0.942 4.268 -8.036 190 HG3 LYS 28 2HG LYS 28 0.012 5.515 -8.843 191 HD2 LYS 28 1HD LYS 28 1.098 3.803 -10.210 192 HD3 LYS 28 2HD LYS 28 0.160 2.550 -9.394 193 HE2 LYS 28 1HE LYS 28 -1.027 2.910 -11.359 194 HE3 LYS 28 2HE LYS 28 -1.897 3.889 -10.178 195 HZ1 LYS 28 1HZ LYS 28 -1.573 5.628 -11.484 196 HZ2 LYS 28 2HZ LYS 28 -0.646 4.712 -12.562 197 HZ3 LYS 28 3HZ LYS 28 0.099 5.492 -11.259 198 H CYS 29 H CYS 29 2.118 0.781 -7.016 199 HA CYS 29 HA CYS 29 4.718 1.581 -6.076 200 HB2 CYS 29 1HB CYS 29 3.692 1.160 -3.930 201 HB3 CYS 29 2HB CYS 29 3.060 -0.385 -4.488 202 HG CYS 29 HG CYS 29 6.403 0.279 -4.194 203 H ARG 30 H ARG 30 6.184 0.541 -7.251 204 HA ARG 30 HA ARG 30 5.401 -2.001 -8.519 205 HB2 ARG 30 1HB ARG 30 7.007 0.328 -9.478 206 HB3 ARG 30 2HB ARG 30 7.400 -1.274 -10.089 207 HG2 ARG 30 1HG ARG 30 4.785 -1.348 -10.509 208 HG3 ARG 30 2HG ARG 30 5.004 0.403 -10.557 209 HD2 ARG 30 1HD ARG 30 6.642 0.199 -12.309 210 HD3 ARG 30 2HD ARG 30 6.607 -1.559 -12.190 211 HE ARG 30 HE ARG 30 4.031 -0.876 -12.752 212 HH11 ARG 30 2HH1 ARG 30 7.112 -0.241 -14.242 213 HH12 ARG 30 1HH1 ARG 30 6.464 -0.146 -15.846 214 HH21 ARG 30 2HH2 ARG 30 3.165 -0.754 -14.859 215 HH22 ARG 30 1HH2 ARG 30 4.219 -0.437 -16.196 216 H THR 31 H THR 31 6.703 -3.757 -8.337 217 HA THR 31 HA THR 31 9.220 -3.428 -6.840 218 HB THR 31 HB THR 31 8.709 -5.759 -5.898 219 HG1 THR 31 1HG THR 31 6.124 -4.973 -6.806 220 HG21 THR 31 1HG2 THR 31 8.110 -3.182 -4.987 221 HG22 THR 31 2HG2 THR 31 8.265 -4.646 -4.016 222 HG23 THR 31 3HG2 THR 31 6.684 -4.151 -4.620 223 HA PRO 32 HA PRO 32 11.123 -5.690 -10.099 224 HB2 PRO 32 1HB PRO 32 13.255 -6.707 -8.761 225 HB3 PRO 32 2HB PRO 32 13.128 -5.002 -9.211 226 HG2 PRO 32 1HG PRO 32 12.563 -6.313 -6.580 227 HG3 PRO 32 2HG PRO 32 13.413 -4.793 -6.913 228 HD2 PRO 32 1HD PRO 32 10.834 -4.869 -6.094 229 HD3 PRO 32 2HD PRO 32 11.454 -3.608 -7.179 230 HA PRO 33 HA PRO 33 10.081 -9.960 -9.963 231 HB2 PRO 33 1HB PRO 33 12.150 -11.149 -11.258 232 HB3 PRO 33 2HB PRO 33 10.940 -10.161 -12.085 233 HG2 PRO 33 1HG PRO 33 13.695 -9.418 -11.181 234 HG3 PRO 33 2HG PRO 33 12.877 -9.034 -12.706 235 HD2 PRO 33 1HD PRO 33 13.079 -7.257 -10.673 236 HD3 PRO 33 2HD PRO 33 11.687 -7.293 -11.775 237 H MET 34 H MET 34 10.436 -11.919 -8.896 238 HA MET 34 HA MET 34 11.144 -13.242 -7.186 239 HB2 MET 34 1HB MET 34 13.879 -12.197 -7.938 240 HB3 MET 34 2HB MET 34 13.537 -13.665 -7.034 241 HG2 MET 34 1HG MET 34 12.164 -14.296 -9.170 242 HG3 MET 34 2HG MET 34 13.211 -13.105 -9.937 243 HE1 MET 34 1HE MET 34 14.479 -16.988 -7.886 244 HE2 MET 34 2HE MET 34 13.056 -16.001 -7.551 245 HE3 MET 34 3HE MET 34 13.114 -17.000 -9.004 246 H SER 35 H SER 35 10.261 -10.667 -6.456 247 HA SER 35 HA SER 35 11.897 -10.207 -4.050 248 HB2 SER 35 1HB SER 35 11.600 -7.863 -4.202 249 HB3 SER 35 2HB SER 35 12.021 -8.373 -5.836 250 HG SER 35 HG SER 35 9.801 -8.311 -6.350 251 H SER 36 H SER 36 10.813 -9.888 -2.139 252 HA SER 36 HA SER 36 8.081 -10.823 -2.076 253 HB2 SER 36 1HB SER 36 9.584 -11.660 -0.379 254 HB3 SER 36 2HB SER 36 9.999 -10.021 0.124 255 HG SER 36 HG SER 36 8.470 -10.526 1.540 256 H VAL 37 H VAL 37 6.291 -9.636 -1.805 257 HA VAL 37 HA VAL 37 6.626 -6.735 -1.439 258 HB VAL 37 HB VAL 37 4.339 -8.246 -2.709 259 HG11 VAL 37 1HG1 VAL 37 4.702 -5.403 -1.926 260 HG12 VAL 37 2HG1 VAL 37 3.867 -5.748 -3.442 261 HG13 VAL 37 3HG1 VAL 37 3.248 -6.401 -1.924 262 HG21 VAL 37 1HG2 VAL 37 5.415 -6.494 -4.558 263 HG22 VAL 37 2HG2 VAL 37 6.828 -7.165 -3.744 264 HG23 VAL 37 3HG2 VAL 37 5.658 -8.240 -4.509 265 H LYS 38 H LYS 38 6.043 -5.932 0.457 266 HA LYS 38 HA LYS 38 3.790 -7.151 1.892 267 HB2 LYS 38 1HB LYS 38 6.407 -6.331 3.166 268 HB3 LYS 38 2HB LYS 38 4.991 -6.929 4.021 269 HG2 LYS 38 1HG LYS 38 5.318 -8.978 2.379 270 HG3 LYS 38 2HG LYS 38 6.983 -8.393 2.386 271 HD2 LYS 38 1HD LYS 38 5.577 -8.682 4.992 272 HD3 LYS 38 2HD LYS 38 6.122 -10.145 4.169 273 HE2 LYS 38 1HE LYS 38 7.953 -7.807 4.610 274 HE3 LYS 38 2HE LYS 38 7.716 -9.040 5.848 275 HZ1 LYS 38 1HZ LYS 38 9.192 -10.292 4.807 276 HZ2 LYS 38 2HZ LYS 38 9.376 -9.135 3.587 277 HZ3 LYS 38 3HZ LYS 38 8.205 -10.346 3.434 278 H TRP 39 H TRP 39 2.829 -5.721 3.514 279 HA TRP 39 HA TRP 39 3.430 -2.877 3.148 280 HB2 TRP 39 1HB TRP 39 0.798 -4.225 2.605 281 HB3 TRP 39 2HB TRP 39 0.859 -2.534 3.096 282 HD1 TRP 39 HD TRP 39 1.862 -4.842 0.196 283 HE1 TRP 39 1HE TRP 39 2.247 -3.396 -1.899 284 HE3 TRP 39 3HE TRP 39 1.453 -0.209 2.320 285 HZ2 TRP 39 2HZ TRP 39 2.362 -0.655 -2.563 286 HZ3 TRP 39 3HZ TRP 39 1.714 1.773 0.886 287 HH2 TRP 39 HH TRP 39 2.159 1.553 -1.504 288 H LEU 40 H LEU 40 3.908 -2.212 5.136 289 HA LEU 40 HA LEU 40 2.772 -3.454 7.472 290 HB2 LEU 40 1HB LEU 40 4.996 -2.837 7.752 291 HB3 LEU 40 2HB LEU 40 4.757 -1.270 6.983 292 HG LEU 40 HG LEU 40 3.236 -0.868 9.118 293 HD11 LEU 40 1HD1 LEU 40 3.439 -2.333 10.767 294 HD12 LEU 40 2HD1 LEU 40 5.196 -2.197 10.727 295 HD13 LEU 40 3HD1 LEU 40 4.379 -3.368 9.693 296 HD21 LEU 40 1HD2 LEU 40 6.103 -0.476 8.558 297 HD22 LEU 40 2HD2 LEU 40 5.609 -0.262 10.238 298 HD23 LEU 40 3HD2 LEU 40 4.851 0.698 8.966 299 H LEU 41 H LEU 41 1.314 -2.597 8.902 300 HA LEU 41 HA LEU 41 -0.247 -0.328 7.903 301 HB2 LEU 41 1HB LEU 41 -0.901 -2.380 10.012 302 HB3 LEU 41 2HB LEU 41 -1.980 -1.098 9.467 303 HG LEU 41 HG LEU 41 -2.632 -3.203 8.480 304 HD11 LEU 41 1HD1 LEU 41 -2.121 -0.857 7.083 305 HD12 LEU 41 2HD1 LEU 41 -3.175 -2.180 6.585 306 HD13 LEU 41 3HD1 LEU 41 -1.496 -2.141 6.047 307 HD21 LEU 41 1HD2 LEU 41 0.010 -3.347 7.066 308 HD22 LEU 41 2HD2 LEU 41 -1.230 -4.591 7.226 309 HD23 LEU 41 3HD2 LEU 41 -0.251 -4.135 8.621 310 HA PRO 42 HA PRO 42 1.067 2.410 11.074 311 HB2 PRO 42 1HB PRO 42 -1.185 3.878 11.454 312 HB3 PRO 42 2HB PRO 42 -0.170 4.032 10.016 313 HG2 PRO 42 1HG PRO 42 -2.721 2.509 10.379 314 HG3 PRO 42 2HG PRO 42 -2.209 3.526 9.020 315 HD2 PRO 42 1HD PRO 42 -2.061 0.823 8.953 316 HD3 PRO 42 2HD PRO 42 -0.899 1.865 8.106 317 H ASN 43 H ASN 43 -0.943 -0.109 11.665 318 HA ASN 43 HA ASN 43 -1.509 0.675 14.439 319 HB2 ASN 43 1HB ASN 43 -2.821 -1.631 14.259 320 HB3 ASN 43 2HB ASN 43 -3.520 -0.125 13.671 321 HD21 ASN 43 1HD2 ASN 43 -2.010 -3.129 12.775 322 HD22 ASN 43 2HD2 ASN 43 -2.471 -3.094 11.110 323 H GLY 44 H GLY 44 0.840 -0.833 12.723 324 HA2 GLY 44 1HA GLY 44 2.725 -1.724 13.970 325 HA3 GLY 44 2HA GLY 44 1.573 -2.507 15.041 326 H THR 45 H THR 45 -0.156 -3.535 13.028 327 HA THR 45 HA THR 45 1.197 -5.957 12.436 328 HB THR 45 HB THR 45 -1.355 -5.125 11.082 329 HG1 THR 45 1HG THR 45 -2.306 -5.013 12.960 330 HG21 THR 45 1HG2 THR 45 0.065 -7.640 11.701 331 HG22 THR 45 2HG2 THR 45 -0.989 -7.236 10.346 332 HG23 THR 45 3HG2 THR 45 -1.686 -7.671 11.906 333 H VAL 46 H VAL 46 1.003 -6.890 10.116 334 HA VAL 46 HA VAL 46 1.465 -4.966 8.002 335 HB VAL 46 HB VAL 46 3.694 -5.084 8.937 336 HG11 VAL 46 1HG1 VAL 46 3.017 -7.741 9.507 337 HG12 VAL 46 2HG1 VAL 46 4.354 -7.820 8.358 338 HG13 VAL 46 3HG1 VAL 46 4.536 -6.919 9.863 339 HG21 VAL 46 1HG2 VAL 46 3.969 -6.852 6.565 340 HG22 VAL 46 2HG2 VAL 46 3.137 -5.311 6.357 341 HG23 VAL 46 3HG2 VAL 46 4.796 -5.343 6.954 342 H LEU 47 H LEU 47 0.862 -5.749 6.061 343 HA LEU 47 HA LEU 47 0.118 -8.590 5.940 344 HB2 LEU 47 1HB LEU 47 -0.855 -6.233 4.334 345 HB3 LEU 47 2HB LEU 47 -1.352 -7.902 4.065 346 HG LEU 47 HG LEU 47 -1.838 -6.398 6.632 347 HD11 LEU 47 1HD1 LEU 47 -4.213 -6.336 5.790 348 HD12 LEU 47 2HD1 LEU 47 -3.571 -6.742 4.199 349 HD13 LEU 47 3HD1 LEU 47 -3.084 -5.243 4.989 350 HD21 LEU 47 1HD2 LEU 47 -1.944 -9.116 6.028 351 HD22 LEU 47 2HD2 LEU 47 -3.621 -8.573 5.993 352 HD23 LEU 47 3HD2 LEU 47 -2.639 -8.309 7.434 353 H SER 48 H SER 48 -0.016 -9.185 3.384 354 HA SER 48 HA SER 48 2.026 -8.223 1.703 355 HB2 SER 48 1HB SER 48 3.658 -10.024 1.851 356 HB3 SER 48 2HB SER 48 3.484 -9.256 3.429 357 HG SER 48 HG SER 48 1.894 -11.021 3.821 358 H HIS 49 H HIS 49 2.646 -10.243 0.106 359 HA HIS 49 HA HIS 49 0.310 -10.769 -1.328 360 HB2 HIS 49 1HB HIS 49 2.634 -10.808 -2.253 361 HB3 HIS 49 2HB HIS 49 2.880 -12.358 -1.453 362 HD1 HIS 49 1HD HIS 49 0.596 -10.816 -4.067 363 HD2 HIS 49 2HD HIS 49 2.149 -14.504 -2.947 364 HE1 HIS 49 1HE HIS 49 -0.139 -12.426 -5.854 365 HE2 HIS 49 2HE HIS 49 0.740 -14.666 -5.111 366 H ALA 50 H ALA 50 1.481 -12.246 1.479 367 HA ALA 50 HA ALA 50 0.260 -14.830 1.006 368 HB1 ALA 50 1HB ALA 50 1.142 -15.486 3.085 369 HB2 ALA 50 2HB ALA 50 2.365 -14.432 2.374 370 HB3 ALA 50 3HB ALA 50 1.300 -13.818 3.638 371 H SER 51 H SER 51 -0.223 -12.231 3.408 372 HA SER 51 HA SER 51 -2.405 -13.045 4.740 373 HB2 SER 51 1HB SER 51 -3.167 -10.626 4.765 374 HB3 SER 51 2HB SER 51 -1.491 -10.896 5.242 375 HG SER 51 HG SER 51 -1.987 -10.418 2.544 376 H ARG 52 H ARG 52 -4.614 -13.161 4.481 377 HA ARG 52 HA ARG 52 -5.548 -13.095 1.695 378 HB2 ARG 52 1HB ARG 52 -7.401 -14.565 2.554 379 HB3 ARG 52 2HB ARG 52 -5.794 -15.276 2.624 380 HG2 ARG 52 1HG ARG 52 -5.679 -14.648 5.021 381 HG3 ARG 52 2HG ARG 52 -7.351 -14.096 4.912 382 HD2 ARG 52 1HD ARG 52 -7.706 -16.222 5.657 383 HD3 ARG 52 2HD ARG 52 -7.708 -16.519 3.919 384 HE ARG 52 HE ARG 52 -5.870 -17.822 4.222 385 HH11 ARG 52 2HH1 ARG 52 -6.044 -15.548 6.852 386 HH12 ARG 52 1HH1 ARG 52 -4.668 -16.201 7.680 387 HH21 ARG 52 2HH2 ARG 52 -4.058 -18.690 5.302 388 HH22 ARG 52 1HH2 ARG 52 -3.539 -17.988 6.796 389 H HIS 53 H HIS 53 -5.359 -10.799 3.587 390 HA HIS 53 HA HIS 53 -7.784 -10.024 4.658 391 HB2 HIS 53 1HB HIS 53 -5.421 -8.852 4.603 392 HB3 HIS 53 2HB HIS 53 -6.118 -7.987 3.237 393 HD1 HIS 53 1HD HIS 53 -8.504 -6.763 3.840 394 HD2 HIS 53 2HD HIS 53 -6.000 -7.746 7.006 395 HE1 HIS 53 1HE HIS 53 -9.281 -5.355 5.774 396 HE2 HIS 53 2HE HIS 53 -7.697 -5.905 7.654 397 HA PRO 54 HA PRO 54 -10.407 -9.688 1.107 398 HB2 PRO 54 1HB PRO 54 -12.478 -8.439 2.342 399 HB3 PRO 54 2HB PRO 54 -12.137 -10.162 2.543 400 HG2 PRO 54 1HG PRO 54 -11.445 -7.871 4.342 401 HG3 PRO 54 2HG PRO 54 -12.075 -9.474 4.763 402 HD2 PRO 54 1HD PRO 54 -9.456 -8.830 5.000 403 HD3 PRO 54 2HD PRO 54 -10.003 -10.470 4.599 404 H ARG 55 H ARG 55 -10.301 -6.838 3.259 405 HA ARG 55 HA ARG 55 -10.873 -5.002 1.158 406 HB2 ARG 55 1HB ARG 55 -9.963 -4.722 4.005 407 HB3 ARG 55 2HB ARG 55 -10.008 -3.322 2.942 408 HG2 ARG 55 1HG ARG 55 -12.463 -4.199 2.493 409 HG3 ARG 55 2HG ARG 55 -12.232 -4.906 4.094 410 HD2 ARG 55 1HD ARG 55 -12.411 -2.060 3.272 411 HD3 ARG 55 2HD ARG 55 -13.069 -2.870 4.693 412 HE ARG 55 HE ARG 55 -10.571 -1.527 4.504 413 HH11 ARG 55 2HH1 ARG 55 -12.158 -4.239 6.003 414 HH12 ARG 55 1HH1 ARG 55 -11.099 -4.267 7.375 415 HH21 ARG 55 2HH2 ARG 55 -9.171 -1.554 6.305 416 HH22 ARG 55 1HH2 ARG 55 -9.402 -2.738 7.546 417 H ILE 56 H ILE 56 -7.941 -5.193 3.180 418 HA ILE 56 HA ILE 56 -6.364 -3.793 1.261 419 HB ILE 56 HB ILE 56 -5.398 -5.433 3.605 420 HG12 ILE 56 1HG1 ILE 56 -5.952 -2.463 3.526 421 HG13 ILE 56 2HG1 ILE 56 -7.089 -3.643 4.168 422 HG21 ILE 56 1HG2 ILE 56 -3.454 -5.002 2.528 423 HG22 ILE 56 2HG2 ILE 56 -4.108 -3.605 1.675 424 HG23 ILE 56 3HG2 ILE 56 -3.614 -3.456 3.361 425 HD11 ILE 56 1HD1 ILE 56 -4.746 -2.467 5.389 426 HD12 ILE 56 2HD1 ILE 56 -6.100 -3.324 6.126 427 HD13 ILE 56 3HD1 ILE 56 -4.733 -4.228 5.476 428 H SER 57 H SER 57 -6.249 -4.839 -0.678 429 HA SER 57 HA SER 57 -5.243 -7.600 -0.686 430 HB2 SER 57 1HB SER 57 -6.437 -6.045 -2.991 431 HB3 SER 57 2HB SER 57 -6.076 -7.771 -2.952 432 HG SER 57 HG SER 57 -7.650 -7.131 -0.878 433 H VAL 58 H VAL 58 -3.344 -8.139 -1.653 434 HA VAL 58 HA VAL 58 -1.682 -5.900 -2.600 435 HB VAL 58 HB VAL 58 -0.822 -8.552 -1.434 436 HG11 VAL 58 1HG1 VAL 58 1.239 -8.183 -2.186 437 HG12 VAL 58 2HG1 VAL 58 0.566 -6.902 -3.197 438 HG13 VAL 58 3HG1 VAL 58 1.219 -6.519 -1.604 439 HG21 VAL 58 1HG2 VAL 58 -1.638 -7.217 0.331 440 HG22 VAL 58 2HG2 VAL 58 0.115 -7.023 0.364 441 HG23 VAL 58 3HG2 VAL 58 -0.900 -5.756 -0.327 442 H LEU 59 H LEU 59 -2.298 -5.957 -4.764 443 HA LEU 59 HA LEU 59 -2.514 -8.222 -6.373 444 HB2 LEU 59 1HB LEU 59 -1.527 -5.545 -7.322 445 HB3 LEU 59 2HB LEU 59 -2.411 -6.761 -8.242 446 HG LEU 59 HG LEU 59 -3.549 -5.140 -5.965 447 HD11 LEU 59 1HD1 LEU 59 -3.532 -3.524 -7.533 448 HD12 LEU 59 2HD1 LEU 59 -4.936 -4.395 -8.149 449 HD13 LEU 59 3HD1 LEU 59 -3.347 -4.664 -8.865 450 HD21 LEU 59 1HD2 LEU 59 -5.253 -6.567 -7.915 451 HD22 LEU 59 2HD2 LEU 59 -5.491 -6.282 -6.190 452 HD23 LEU 59 3HD2 LEU 59 -4.400 -7.559 -6.732 453 H ASN 60 H ASN 60 -1.104 -9.346 -7.669 454 HA ASN 60 HA ASN 60 1.382 -9.987 -6.889 455 HB2 ASN 60 1HB ASN 60 0.576 -11.291 -8.637 456 HB3 ASN 60 2HB ASN 60 0.167 -9.892 -9.627 457 HD21 ASN 60 1HD2 ASN 60 2.564 -12.185 -8.785 458 HD22 ASN 60 2HD2 ASN 60 3.781 -11.655 -9.892 459 H ASP 61 H ASP 61 0.850 -7.622 -9.509 460 HA ASP 61 HA ASP 61 3.336 -6.710 -9.971 461 HB2 ASP 61 1HB ASP 61 1.286 -5.819 -11.045 462 HB3 ASP 61 2HB ASP 61 0.945 -4.897 -9.583 463 H GLY 62 H GLY 62 1.340 -5.811 -7.188 464 HA2 GLY 62 1HA GLY 62 2.615 -5.574 -5.069 465 HA3 GLY 62 2HA GLY 62 3.749 -4.592 -5.985 466 H THR 63 H THR 63 0.199 -4.571 -5.961 467 HA THR 63 HA THR 63 0.323 -1.765 -5.063 468 HB THR 63 HB THR 63 -1.668 -3.013 -6.967 469 HG1 THR 63 1HG THR 63 0.003 -0.827 -7.571 470 HG21 THR 63 1HG2 THR 63 -2.249 -1.030 -5.233 471 HG22 THR 63 2HG2 THR 63 -2.957 -1.154 -6.844 472 HG23 THR 63 3HG2 THR 63 -1.580 -0.089 -6.565 473 H LEU 64 H LEU 64 -0.934 -1.170 -3.383 474 HA LEU 64 HA LEU 64 -2.418 -3.276 -2.018 475 HB2 LEU 64 1HB LEU 64 -0.705 -1.573 -0.995 476 HB3 LEU 64 2HB LEU 64 -2.111 -0.513 -0.938 477 HG LEU 64 HG LEU 64 -3.276 -2.200 0.451 478 HD11 LEU 64 1HD1 LEU 64 -2.260 -4.236 -0.130 479 HD12 LEU 64 2HD1 LEU 64 -1.754 -3.925 1.530 480 HD13 LEU 64 3HD1 LEU 64 -0.640 -3.619 0.197 481 HD21 LEU 64 1HD2 LEU 64 -1.874 -0.277 1.350 482 HD22 LEU 64 2HD2 LEU 64 -0.633 -1.484 1.690 483 HD23 LEU 64 3HD2 LEU 64 -2.216 -1.603 2.462 484 H ASN 65 H ASN 65 -4.440 -3.513 -2.753 485 HA ASN 65 HA ASN 65 -6.012 -1.151 -3.454 486 HB2 ASN 65 1HB ASN 65 -6.006 -3.018 -5.045 487 HB3 ASN 65 2HB ASN 65 -6.628 -4.094 -3.798 488 HD21 ASN 65 1HD2 ASN 65 -7.407 -1.972 -6.279 489 HD22 ASN 65 2HD2 ASN 65 -9.107 -1.857 -5.990 490 H PHE 66 H PHE 66 -8.078 -0.755 -2.566 491 HA PHE 66 HA PHE 66 -8.706 -2.189 -0.082 492 HB2 PHE 66 1HB PHE 66 -8.607 0.816 -0.410 493 HB3 PHE 66 2HB PHE 66 -9.262 -0.016 0.997 494 HD1 PHE 66 1HD PHE 66 -6.145 -0.089 -1.060 495 HD2 PHE 66 2HD PHE 66 -7.890 -0.136 2.822 496 HE1 PHE 66 1HE PHE 66 -3.900 -0.146 -0.056 497 HE2 PHE 66 2HE PHE 66 -5.648 -0.192 3.833 498 HZ PHE 66 HZ PHE 66 -3.649 -0.196 2.394 499 H SER 67 H SER 67 -10.584 -3.137 -0.566 500 HA SER 67 HA SER 67 -12.434 -2.450 -2.465 501 HB2 SER 67 1HB SER 67 -12.923 -3.767 0.216 502 HB3 SER 67 2HB SER 67 -14.092 -3.733 -1.104 503 HG SER 67 HG SER 67 -12.087 -4.647 -2.299 504 H HIS 68 H HIS 68 -12.624 -1.597 0.992 505 HA HIS 68 HA HIS 68 -13.918 0.913 0.286 506 HB2 HIS 68 1HB HIS 68 -15.767 0.549 1.887 507 HB3 HIS 68 2HB HIS 68 -15.814 -0.592 0.547 508 HD1 HIS 68 1HD HIS 68 -14.733 -3.033 1.157 509 HD2 HIS 68 2HD HIS 68 -15.890 -0.616 4.332 510 HE1 HIS 68 1HE HIS 68 -14.931 -4.572 3.136 511 HE2 HIS 68 2HE HIS 68 -15.715 -3.102 5.025 512 H VAL 69 H VAL 69 -12.478 2.247 1.202 513 HA VAL 69 HA VAL 69 -11.029 1.660 3.570 514 HB VAL 69 HB VAL 69 -10.293 4.005 3.488 515 HG11 VAL 69 1HG1 VAL 69 -9.318 2.196 2.020 516 HG12 VAL 69 2HG1 VAL 69 -10.288 2.862 0.704 517 HG13 VAL 69 3HG1 VAL 69 -9.051 3.853 1.480 518 HG21 VAL 69 1HG2 VAL 69 -12.738 4.419 2.201 519 HG22 VAL 69 2HG2 VAL 69 -11.477 5.613 2.507 520 HG23 VAL 69 3HG2 VAL 69 -11.506 4.733 0.979 521 H LEU 70 H LEU 70 -11.251 2.460 5.651 522 HA LEU 70 HA LEU 70 -13.859 3.685 6.270 523 HB2 LEU 70 1HB LEU 70 -12.335 1.911 8.151 524 HB3 LEU 70 2HB LEU 70 -14.021 2.415 8.244 525 HG LEU 70 HG LEU 70 -13.110 0.699 5.972 526 HD11 LEU 70 1HD1 LEU 70 -14.229 -0.812 8.172 527 HD12 LEU 70 2HD1 LEU 70 -12.693 -0.062 8.602 528 HD13 LEU 70 3HD1 LEU 70 -12.792 -1.126 7.200 529 HD21 LEU 70 1HD2 LEU 70 -15.571 -0.131 6.794 530 HD22 LEU 70 2HD2 LEU 70 -15.277 1.067 5.533 531 HD23 LEU 70 3HD2 LEU 70 -15.625 1.589 7.183 532 H LEU 71 H LEU 71 -13.871 4.870 8.381 533 HA LEU 71 HA LEU 71 -11.920 6.884 8.388 534 HB2 LEU 71 1HB LEU 71 -13.921 6.065 10.483 535 HB3 LEU 71 2HB LEU 71 -12.925 7.515 10.596 536 HG LEU 71 HG LEU 71 -15.003 6.950 8.481 537 HD11 LEU 71 1HD1 LEU 71 -15.023 8.974 10.713 538 HD12 LEU 71 2HD1 LEU 71 -15.892 7.440 10.744 539 HD13 LEU 71 3HD1 LEU 71 -16.305 8.663 9.543 540 HD21 LEU 71 1HD2 LEU 71 -12.915 9.032 8.782 541 HD22 LEU 71 2HD2 LEU 71 -14.506 9.551 8.226 542 HD23 LEU 71 3HD2 LEU 71 -13.613 8.326 7.324 543 H SER 72 H SER 72 -11.873 3.754 9.716 544 HA SER 72 HA SER 72 -9.904 4.386 11.761 545 HB2 SER 72 1HB SER 72 -11.259 1.828 10.907 546 HB3 SER 72 2HB SER 72 -9.942 1.849 12.079 547 HG SER 72 HG SER 72 -12.105 3.582 12.462 548 H ASP 73 H ASP 73 -10.002 3.420 8.480 549 HA ASP 73 HA ASP 73 -7.454 2.110 8.408 550 HB2 ASP 73 1HB ASP 73 -9.209 3.231 6.216 551 HB3 ASP 73 2HB ASP 73 -7.716 2.343 5.924 552 H THR 74 H THR 74 -8.486 5.354 8.485 553 HA THR 74 HA THR 74 -6.560 6.672 6.971 554 HB THR 74 HB THR 74 -7.848 7.576 9.554 555 HG1 THR 74 1HG THR 74 -9.515 7.986 8.323 556 HG21 THR 74 1HG2 THR 74 -5.668 8.726 8.417 557 HG22 THR 74 2HG2 THR 74 -6.890 9.609 9.332 558 HG23 THR 74 3HG2 THR 74 -6.967 9.566 7.571 559 H GLY 75 H GLY 75 -4.434 6.984 7.182 560 HA2 GLY 75 1HA GLY 75 -2.966 7.483 9.435 561 HA3 GLY 75 2HA GLY 75 -3.014 5.729 9.338 562 H VAL 76 H VAL 76 -0.874 5.391 8.893 563 HA VAL 76 HA VAL 76 0.035 6.335 6.257 564 HB VAL 76 HB VAL 76 1.716 6.148 8.760 565 HG11 VAL 76 1HG1 VAL 76 3.151 7.408 6.718 566 HG12 VAL 76 2HG1 VAL 76 3.454 5.815 7.414 567 HG13 VAL 76 3HG1 VAL 76 2.438 5.974 5.980 568 HG21 VAL 76 1HG2 VAL 76 0.103 8.172 8.155 569 HG22 VAL 76 2HG2 VAL 76 1.685 8.421 8.892 570 HG23 VAL 76 3HG2 VAL 76 1.480 8.630 7.153 571 H TYR 77 H TYR 77 0.793 4.792 4.944 572 HA TYR 77 HA TYR 77 1.172 2.103 6.078 573 HB2 TYR 77 1HB TYR 77 0.405 2.942 3.275 574 HB3 TYR 77 2HB TYR 77 0.694 1.280 3.778 575 HD1 TYR 77 2HD TYR 77 -1.476 4.226 4.438 576 HD2 TYR 77 1HD TYR 77 -1.035 0.003 4.706 577 HE1 TYR 77 2HE TYR 77 -3.830 4.030 5.120 578 HE2 TYR 77 1HE TYR 77 -3.389 -0.206 5.388 579 HH TYR 77 HH TYR 77 -5.203 2.251 6.506 580 H THR 78 H THR 78 3.036 1.009 5.751 581 HA THR 78 HA THR 78 5.128 2.365 4.175 582 HB THR 78 HB THR 78 5.559 0.645 6.625 583 HG1 THR 78 1HG THR 78 4.607 2.972 6.708 584 HG21 THR 78 1HG2 THR 78 7.421 2.276 4.901 585 HG22 THR 78 2HG2 THR 78 7.469 0.538 5.196 586 HG23 THR 78 3HG2 THR 78 7.855 1.664 6.496 587 H CYS 79 H CYS 79 5.490 1.273 2.361 588 HA CYS 79 HA CYS 79 4.982 -1.574 2.204 589 HB2 CYS 79 1HB CYS 79 4.326 -0.069 0.356 590 HB3 CYS 79 2HB CYS 79 6.018 0.335 0.098 591 HG CYS 79 HG CYS 79 6.326 -2.711 -0.171 592 H MET 80 H MET 80 6.467 -3.164 2.165 593 HA MET 80 HA MET 80 9.289 -2.364 2.415 594 HB2 MET 80 1HB MET 80 8.107 -4.996 3.291 595 HB3 MET 80 2HB MET 80 9.667 -4.313 3.729 596 HG2 MET 80 1HG MET 80 8.350 -2.440 4.840 597 HG3 MET 80 2HG MET 80 6.942 -3.482 4.655 598 HE1 MET 80 1HE MET 80 7.036 -3.551 7.994 599 HE2 MET 80 2HE MET 80 6.139 -3.931 6.524 600 HE3 MET 80 3HE MET 80 6.695 -5.231 7.579 601 H VAL 81 H VAL 81 10.890 -3.548 1.317 602 HA VAL 81 HA VAL 81 9.965 -5.421 -0.743 603 HB VAL 81 HB VAL 81 11.756 -3.046 -1.277 604 HG11 VAL 81 1HG1 VAL 81 11.923 -5.512 -2.461 605 HG12 VAL 81 2HG1 VAL 81 10.851 -4.633 -3.554 606 HG13 VAL 81 3HG1 VAL 81 12.452 -3.991 -3.181 607 HG21 VAL 81 1HG2 VAL 81 8.897 -3.551 -1.627 608 HG22 VAL 81 2HG2 VAL 81 9.784 -2.027 -1.594 609 HG23 VAL 81 3HG2 VAL 81 9.704 -2.968 -3.083 610 H THR 82 H THR 82 11.043 -7.241 -0.406 611 HA THR 82 HA THR 82 13.815 -7.095 0.571 612 HB THR 82 HB THR 82 11.997 -9.507 0.633 613 HG1 THR 82 1HG THR 82 12.289 -7.342 2.387 614 HG21 THR 82 1HG2 THR 82 13.668 -10.111 2.494 615 HG22 THR 82 2HG2 THR 82 14.694 -8.863 1.788 616 HG23 THR 82 3HG2 THR 82 14.208 -10.256 0.822 617 H ASN 83 H ASN 83 15.402 -7.602 -0.781 618 HA ASN 83 HA ASN 83 14.912 -9.532 -2.926 619 HB2 ASN 83 1HB ASN 83 14.596 -7.217 -3.837 620 HB3 ASN 83 2HB ASN 83 16.271 -6.875 -3.415 621 HD21 ASN 83 1HD2 ASN 83 14.146 -8.658 -5.508 622 HD22 ASN 83 2HD2 ASN 83 15.339 -9.099 -6.677 623 H VAL 84 H VAL 84 16.656 -10.784 -3.456 624 HA VAL 84 HA VAL 84 18.678 -11.171 -1.581 625 HB VAL 84 HB VAL 84 18.106 -12.953 -3.078 626 HG11 VAL 84 1HG1 VAL 84 18.508 -12.887 -5.460 627 HG12 VAL 84 2HG1 VAL 84 17.473 -11.534 -4.999 628 HG13 VAL 84 3HG1 VAL 84 19.184 -11.264 -5.332 629 HG21 VAL 84 1HG2 VAL 84 20.661 -12.292 -2.420 630 HG22 VAL 84 2HG2 VAL 84 20.183 -13.807 -3.185 631 HG23 VAL 84 3HG2 VAL 84 20.787 -12.475 -4.170 632 H ALA 85 H ALA 85 18.420 -8.815 -4.027 633 HA ALA 85 HA ALA 85 21.294 -8.341 -4.168 634 HB1 ALA 85 1HB ALA 85 20.851 -6.857 -5.943 635 HB2 ALA 85 2HB ALA 85 19.755 -8.218 -6.181 636 HB3 ALA 85 3HB ALA 85 19.150 -6.708 -5.500 637 H GLY 86 H GLY 86 18.349 -6.807 -2.955 638 HA2 GLY 86 1HA GLY 86 19.797 -5.399 -0.938 639 HA3 GLY 86 2HA GLY 86 19.299 -4.321 -2.234 640 H ASN 87 H ASN 87 18.320 -3.662 0.106 641 HA ASN 87 HA ASN 87 15.536 -4.620 0.038 642 HB2 ASN 87 1HB ASN 87 15.467 -4.165 2.509 643 HB3 ASN 87 2HB ASN 87 16.510 -5.506 2.045 644 HD21 ASN 87 1HD2 ASN 87 18.364 -5.552 3.065 645 HD22 ASN 87 2HD2 ASN 87 19.239 -4.188 3.661 646 H SER 88 H SER 88 13.919 -3.090 0.398 647 HA SER 88 HA SER 88 14.583 -0.338 0.935 648 HB2 SER 88 1HB SER 88 13.463 -1.080 -1.779 649 HB3 SER 88 2HB SER 88 13.719 0.558 -1.177 650 HG SER 88 HG SER 88 15.453 -1.033 -2.411 651 H ASN 89 H ASN 89 12.623 1.047 0.971 652 HA ASN 89 HA ASN 89 10.060 -0.282 1.016 653 HB2 ASN 89 1HB ASN 89 9.645 0.507 3.414 654 HB3 ASN 89 2HB ASN 89 10.669 -0.912 3.211 655 HD21 ASN 89 1HD2 ASN 89 12.148 -0.866 4.740 656 HD22 ASN 89 2HD2 ASN 89 13.108 0.500 5.183 657 H ALA 90 H ALA 90 8.279 1.217 1.376 658 HA ALA 90 HA ALA 90 9.020 4.039 0.987 659 HB1 ALA 90 1HB ALA 90 7.903 4.242 -0.944 660 HB2 ALA 90 2HB ALA 90 8.055 2.487 -1.035 661 HB3 ALA 90 3HB ALA 90 6.579 3.213 -0.400 662 H SER 91 H SER 91 6.978 5.462 1.229 663 HA SER 91 HA SER 91 5.162 4.403 3.268 664 HB2 SER 91 1HB SER 91 6.833 6.907 3.563 665 HB3 SER 91 2HB SER 91 5.473 6.500 4.609 666 HG SER 91 HG SER 91 6.791 4.388 4.777 667 H ALA 92 H ALA 92 3.344 5.951 3.711 668 HA ALA 92 HA ALA 92 2.745 8.062 1.935 669 HB1 ALA 92 1HB ALA 92 1.229 7.120 0.421 670 HB2 ALA 92 2HB ALA 92 2.596 6.004 0.427 671 HB3 ALA 92 3HB ALA 92 1.130 5.608 1.323 672 H TYR 93 H TYR 93 0.477 8.811 2.164 673 HA TYR 93 HA TYR 93 -0.682 7.934 4.728 674 HB2 TYR 93 1HB TYR 93 0.447 10.184 4.794 675 HB3 TYR 93 2HB TYR 93 -0.752 10.752 3.637 676 HD1 TYR 93 2HD TYR 93 -3.141 10.885 4.303 677 HD2 TYR 93 1HD TYR 93 -0.083 9.940 7.106 678 HE1 TYR 93 2HE TYR 93 -4.677 11.417 6.149 679 HE2 TYR 93 1HE TYR 93 -1.610 10.468 8.960 680 HH TYR 93 HH TYR 93 -4.619 12.040 8.471 681 H LEU 94 H LEU 94 -2.844 7.594 4.810 682 HA LEU 94 HA LEU 94 -4.377 8.119 2.348 683 HB2 LEU 94 1HB LEU 94 -4.068 5.780 2.479 684 HB3 LEU 94 2HB LEU 94 -4.427 5.757 4.204 685 HG LEU 94 HG LEU 94 -6.791 6.536 3.465 686 HD11 LEU 94 1HD1 LEU 94 -6.590 4.992 1.039 687 HD12 LEU 94 2HD1 LEU 94 -5.563 6.423 0.969 688 HD13 LEU 94 3HD1 LEU 94 -7.286 6.591 1.302 689 HD21 LEU 94 1HD2 LEU 94 -7.473 4.190 3.169 690 HD22 LEU 94 2HD2 LEU 94 -6.343 4.397 4.507 691 HD23 LEU 94 3HD2 LEU 94 -5.780 3.738 2.970 692 H ASN 95 H ASN 95 -5.918 9.575 2.644 693 HA ASN 95 HA ASN 95 -6.958 10.038 5.340 694 HB2 ASN 95 1HB ASN 95 -6.130 12.002 4.151 695 HB3 ASN 95 2HB ASN 95 -7.222 11.675 2.808 696 HD21 ASN 95 1HD2 ASN 95 -7.654 14.016 3.489 697 HD22 ASN 95 2HD2 ASN 95 -8.959 14.242 4.598 698 H VAL 96 H VAL 96 -9.002 9.595 5.921 699 HA VAL 96 HA VAL 96 -10.884 8.745 3.817 700 HB VAL 96 HB VAL 96 -10.631 7.510 6.563 701 HG11 VAL 96 1HG1 VAL 96 -12.101 5.850 4.876 702 HG12 VAL 96 2HG1 VAL 96 -12.719 6.828 6.209 703 HG13 VAL 96 3HG1 VAL 96 -12.716 7.474 4.567 704 HG21 VAL 96 1HG2 VAL 96 -8.748 6.879 5.176 705 HG22 VAL 96 2HG2 VAL 96 -9.845 5.509 5.353 706 HG23 VAL 96 3HG2 VAL 96 -9.833 6.441 3.856 707 H SER 97 H SER 97 -12.447 10.215 3.719 708 HA SER 97 HA SER 97 -13.309 11.561 6.179 709 HB2 SER 97 1HB SER 97 -12.626 12.789 3.975 710 HB3 SER 97 2HB SER 97 -14.242 12.337 3.432 711 HG SER 97 HG SER 97 -13.551 13.906 5.691 712 H SER 98 H SER 98 -15.172 11.056 7.115 713 HA SER 98 HA SER 98 -16.753 8.921 6.502 714 HB2 SER 98 1HB SER 98 -16.793 10.408 8.594 715 HB3 SER 98 2HB SER 98 -17.932 11.421 7.708 716 HG SER 98 HG SER 98 -19.420 10.036 8.193 717 H GLY 99 H GLY 99 -18.723 8.582 5.445 718 HA2 GLY 99 1HA GLY 99 -19.316 10.588 3.361 719 HA3 GLY 99 2HA GLY 99 -19.544 8.856 3.168 720 HA PRO 100 HA PRO 100 -23.427 11.139 4.774 721 HB2 PRO 100 1HB PRO 100 -24.784 11.393 2.437 722 HB3 PRO 100 2HB PRO 100 -23.700 12.643 3.058 723 HG2 PRO 100 1HG PRO 100 -23.188 10.556 0.974 724 HG3 PRO 100 2HG PRO 100 -22.738 12.272 0.974 725 HD2 PRO 100 1HD PRO 100 -20.983 10.305 1.592 726 HD3 PRO 100 2HD PRO 100 -20.904 11.920 2.325 727 H SER 101 H SER 101 -25.713 10.311 4.484 728 HA SER 101 HA SER 101 -25.614 7.404 4.068 729 HB2 SER 101 1HB SER 101 -27.496 7.240 5.576 730 HB3 SER 101 2HB SER 101 -26.265 8.250 6.333 731 HG SER 101 HG SER 101 -28.807 8.869 5.647 732 H SER 102 H SER 102 -27.479 6.355 3.116 733 HA SER 102 HA SER 102 -28.569 7.949 0.924 734 HB2 SER 102 1HB SER 102 -28.221 5.012 1.420 735 HB3 SER 102 2HB SER 102 -29.405 5.559 0.233 736 HG SER 102 HG SER 102 -27.062 5.142 -0.400 737 H GLY 103 H GLY 103 -30.811 7.890 0.376 738 HA2 GLY 103 1HA GLY 103 -32.513 7.683 2.757 739 HA3 GLY 103 2HA GLY 103 -32.892 8.581 1.295 Start of MODEL 20 1 H1 GLY 1 H GLY 1 12.209 12.745 6.270 2 HA2 GLY 1 1HA GLY 1 13.224 11.109 8.107 3 HA3 GLY 1 2HA GLY 1 13.062 10.001 6.753 4 H SER 2 H SER 2 15.185 9.633 6.323 5 HA SER 2 HA SER 2 16.981 11.907 5.972 6 HB2 SER 2 1HB SER 2 18.771 10.314 5.954 7 HB3 SER 2 2HB SER 2 17.672 9.836 7.248 8 HG SER 2 HG SER 2 18.017 8.669 4.700 9 H SER 3 H SER 3 17.081 12.845 4.051 10 HA SER 3 HA SER 3 16.049 11.681 1.680 11 HB2 SER 3 1HB SER 3 17.712 14.149 2.187 12 HB3 SER 3 2HB SER 3 17.160 13.689 0.576 13 HG SER 3 HG SER 3 15.713 14.645 2.756 14 H GLY 4 H GLY 4 17.383 11.571 -0.374 15 HA2 GLY 4 1HA GLY 4 19.615 11.217 -1.309 16 HA3 GLY 4 2HA GLY 4 20.044 10.427 0.201 17 H SER 5 H SER 5 17.427 10.113 -2.204 18 HA SER 5 HA SER 5 17.764 7.198 -2.051 19 HB2 SER 5 1HB SER 5 15.501 8.236 -1.572 20 HB3 SER 5 2HB SER 5 15.438 8.694 -3.274 21 HG SER 5 HG SER 5 14.407 6.709 -2.964 22 H SER 6 H SER 6 19.408 6.819 -3.485 23 HA SER 6 HA SER 6 19.432 8.011 -6.105 24 HB2 SER 6 1HB SER 6 21.384 6.443 -6.463 25 HB3 SER 6 2HB SER 6 21.565 7.562 -5.113 26 HG SER 6 HG SER 6 21.898 5.841 -3.968 27 H GLY 7 H GLY 7 17.239 7.230 -6.656 28 HA2 GLY 7 1HA GLY 7 15.755 5.690 -7.553 29 HA3 GLY 7 2HA GLY 7 17.125 5.385 -8.611 30 HA PRO 8 HA PRO 8 17.097 2.047 -5.068 31 HB2 PRO 8 1HB PRO 8 14.672 1.671 -3.907 32 HB3 PRO 8 2HB PRO 8 15.880 2.791 -3.266 33 HG2 PRO 8 1HG PRO 8 13.477 3.362 -4.958 34 HG3 PRO 8 2HG PRO 8 14.088 4.246 -3.548 35 HD2 PRO 8 1HD PRO 8 14.528 5.073 -6.088 36 HD3 PRO 8 2HD PRO 8 15.693 5.351 -4.778 37 H PHE 9 H PHE 9 15.570 -0.051 -4.767 38 HA PHE 9 HA PHE 9 15.275 -1.121 -7.371 39 HB2 PHE 9 1HB PHE 9 14.586 -2.130 -4.621 40 HB3 PHE 9 2HB PHE 9 14.166 -3.052 -6.061 41 HD1 PHE 9 2HD PHE 9 17.001 -1.585 -4.191 42 HD2 PHE 9 1HD PHE 9 15.761 -4.368 -7.163 43 HE1 PHE 9 2HE PHE 9 19.264 -2.548 -4.228 44 HE2 PHE 9 1HE PHE 9 18.022 -5.337 -7.204 45 HZ PHE 9 HZ PHE 9 19.778 -4.427 -5.736 46 H ILE 10 H ILE 10 13.082 0.406 -5.154 47 HA ILE 10 HA ILE 10 10.653 -0.540 -6.253 48 HB ILE 10 HB ILE 10 11.200 2.034 -4.772 49 HG12 ILE 10 1HG1 ILE 10 9.961 -0.482 -3.672 50 HG13 ILE 10 2HG1 ILE 10 11.701 -0.220 -3.645 51 HG21 ILE 10 1HG2 ILE 10 8.973 1.459 -6.228 52 HG22 ILE 10 2HG2 ILE 10 8.526 0.851 -4.635 53 HG23 ILE 10 3HG2 ILE 10 9.015 2.534 -4.831 54 HD11 ILE 10 1HD1 ILE 10 9.562 1.055 -2.060 55 HD12 ILE 10 2HD1 ILE 10 11.202 0.595 -1.601 56 HD13 ILE 10 3HD1 ILE 10 10.927 2.068 -2.531 57 H MET 11 H MET 11 10.885 -0.398 -8.518 58 HA MET 11 HA MET 11 11.631 1.698 -10.081 59 HB2 MET 11 1HB MET 11 9.200 -0.010 -10.628 60 HB3 MET 11 2HB MET 11 10.189 0.827 -11.817 61 HG2 MET 11 1HG MET 11 10.943 -1.543 -10.135 62 HG3 MET 11 2HG MET 11 10.774 -1.465 -11.887 63 HE1 MET 11 1HE MET 11 13.085 -2.880 -11.193 64 HE2 MET 11 2HE MET 11 14.627 -2.059 -10.948 65 HE3 MET 11 3HE MET 11 13.483 -2.203 -9.613 66 H ASP 12 H ASP 12 8.648 1.371 -8.275 67 HA ASP 12 HA ASP 12 8.087 4.195 -8.757 68 HB2 ASP 12 1HB ASP 12 6.368 1.927 -9.622 69 HB3 ASP 12 2HB ASP 12 5.562 3.326 -8.919 70 H ALA 13 H ALA 13 7.937 5.082 -6.816 71 HA ALA 13 HA ALA 13 7.128 3.467 -4.528 72 HB1 ALA 13 1HB ALA 13 7.659 5.983 -3.560 73 HB2 ALA 13 2HB ALA 13 8.807 4.646 -3.648 74 HB3 ALA 13 3HB ALA 13 8.754 5.848 -4.937 75 HA PRO 14 HA PRO 14 3.011 5.021 -4.390 76 HB2 PRO 14 1HB PRO 14 2.493 4.632 -1.753 77 HB3 PRO 14 2HB PRO 14 2.575 3.308 -2.921 78 HG2 PRO 14 1HG PRO 14 4.653 4.261 -0.988 79 HG3 PRO 14 2HG PRO 14 4.179 2.601 -1.393 80 HD2 PRO 14 1HD PRO 14 6.388 3.778 -2.427 81 HD3 PRO 14 2HD PRO 14 5.435 2.579 -3.325 82 H ARG 15 H ARG 15 1.766 6.777 -3.632 83 HA ARG 15 HA ARG 15 3.187 8.769 -2.007 84 HB2 ARG 15 1HB ARG 15 3.214 9.149 -4.591 85 HB3 ARG 15 2HB ARG 15 1.540 9.634 -4.358 86 HG2 ARG 15 1HG ARG 15 2.118 11.491 -3.098 87 HG3 ARG 15 2HG ARG 15 3.715 10.849 -2.707 88 HD2 ARG 15 1HD ARG 15 4.293 12.390 -4.291 89 HD3 ARG 15 2HD ARG 15 4.026 10.985 -5.322 90 HE ARG 15 HE ARG 15 2.201 12.034 -6.231 91 HH11 ARG 15 2HH1 ARG 15 3.174 13.707 -3.337 92 HH12 ARG 15 1HH1 ARG 15 2.105 15.046 -3.595 93 HH21 ARG 15 2HH2 ARG 15 0.790 13.791 -6.582 94 HH22 ARG 15 1HH2 ARG 15 0.749 15.092 -5.441 95 H ASP 16 H ASP 16 1.911 10.027 -0.685 96 HA ASP 16 HA ASP 16 -0.260 9.100 0.552 97 HB2 ASP 16 1HB ASP 16 -0.879 11.380 1.164 98 HB3 ASP 16 2HB ASP 16 0.873 11.202 1.171 99 H LEU 17 H LEU 17 -2.414 8.858 0.259 100 HA LEU 17 HA LEU 17 -3.601 9.930 -2.208 101 HB2 LEU 17 1HB LEU 17 -3.179 7.677 -2.749 102 HB3 LEU 17 2HB LEU 17 -3.702 7.117 -1.162 103 HG LEU 17 HG LEU 17 -6.018 8.114 -1.983 104 HD11 LEU 17 1HD1 LEU 17 -4.407 8.315 -4.304 105 HD12 LEU 17 2HD1 LEU 17 -6.125 8.667 -4.124 106 HD13 LEU 17 3HD1 LEU 17 -5.601 7.047 -4.580 107 HD21 LEU 17 1HD2 LEU 17 -5.979 5.891 -1.330 108 HD22 LEU 17 2HD2 LEU 17 -4.753 5.455 -2.521 109 HD23 LEU 17 3HD2 LEU 17 -6.408 5.781 -3.037 110 H ASN 18 H ASN 18 -5.514 10.897 -1.935 111 HA ASN 18 HA ASN 18 -6.804 10.651 0.696 112 HB2 ASN 18 1HB ASN 18 -7.625 12.853 0.440 113 HB3 ASN 18 2HB ASN 18 -5.961 12.918 -0.134 114 HD21 ASN 18 1HD2 ASN 18 -8.644 14.337 -0.722 115 HD22 ASN 18 2HD2 ASN 18 -8.667 14.414 -2.448 116 H ILE 19 H ILE 19 -8.406 9.212 0.636 117 HA ILE 19 HA ILE 19 -10.350 9.407 -1.566 118 HB ILE 19 HB ILE 19 -8.983 7.380 -1.861 119 HG12 ILE 19 1HG1 ILE 19 -11.753 6.613 -0.939 120 HG13 ILE 19 2HG1 ILE 19 -11.459 7.505 -2.428 121 HG21 ILE 19 1HG2 ILE 19 -10.102 5.908 0.381 122 HG22 ILE 19 2HG2 ILE 19 -8.441 5.990 -0.204 123 HG23 ILE 19 3HG2 ILE 19 -9.053 7.230 0.890 124 HD11 ILE 19 1HD1 ILE 19 -9.819 5.500 -2.896 125 HD12 ILE 19 2HD1 ILE 19 -10.892 4.673 -1.766 126 HD13 ILE 19 3HD1 ILE 19 -11.545 5.387 -3.241 127 H SER 20 H SER 20 -12.518 8.848 -1.033 128 HA SER 20 HA SER 20 -13.241 9.611 1.643 129 HB2 SER 20 1HB SER 20 -14.887 8.807 -0.762 130 HB3 SER 20 2HB SER 20 -15.591 9.285 0.782 131 HG SER 20 HG SER 20 -15.399 11.023 -0.744 132 H GLU 21 H GLU 21 -14.828 8.353 2.920 133 HA GLU 21 HA GLU 21 -13.861 5.715 3.366 134 HB2 GLU 21 1HB GLU 21 -14.610 6.929 5.267 135 HB3 GLU 21 2HB GLU 21 -16.160 7.285 4.519 136 HG2 GLU 21 1HG GLU 21 -15.437 4.441 4.964 137 HG3 GLU 21 2HG GLU 21 -15.901 5.419 6.355 138 H GLY 22 H GLY 22 -14.919 3.732 3.112 139 HA2 GLY 22 1HA GLY 22 -16.314 2.190 2.129 140 HA3 GLY 22 2HA GLY 22 -17.507 3.471 1.971 141 H ARG 23 H ARG 23 -14.288 3.639 0.593 142 HA ARG 23 HA ARG 23 -15.448 3.241 -2.082 143 HB2 ARG 23 1HB ARG 23 -13.496 5.394 -1.247 144 HB3 ARG 23 2HB ARG 23 -13.957 5.052 -2.909 145 HG2 ARG 23 1HG ARG 23 -16.380 5.433 -1.992 146 HG3 ARG 23 2HG ARG 23 -15.530 6.322 -0.727 147 HD2 ARG 23 1HD ARG 23 -14.417 7.672 -2.466 148 HD3 ARG 23 2HD ARG 23 -15.343 6.814 -3.697 149 HE ARG 23 HE ARG 23 -17.260 7.789 -2.063 150 HH11 ARG 23 2HH1 ARG 23 -14.533 9.239 -3.669 151 HH12 ARG 23 1HH1 ARG 23 -15.288 10.790 -3.833 152 HH21 ARG 23 2HH2 ARG 23 -18.265 9.826 -2.274 153 HH22 ARG 23 1HH2 ARG 23 -17.411 11.123 -3.039 154 H MET 24 H MET 24 -13.668 2.941 -3.763 155 HA MET 24 HA MET 24 -11.833 0.928 -2.738 156 HB2 MET 24 1HB MET 24 -13.370 0.814 -4.883 157 HB3 MET 24 2HB MET 24 -12.008 1.634 -5.635 158 HG2 MET 24 1HG MET 24 -10.562 -0.163 -5.241 159 HG3 MET 24 2HG MET 24 -11.654 -0.892 -4.065 160 HE1 MET 24 1HE MET 24 -12.506 -3.381 -5.060 161 HE2 MET 24 2HE MET 24 -11.788 -3.650 -6.649 162 HE3 MET 24 3HE MET 24 -10.823 -2.941 -5.353 163 H ALA 25 H ALA 25 -9.708 1.216 -2.500 164 HA ALA 25 HA ALA 25 -8.458 3.553 -3.785 165 HB1 ALA 25 1HB ALA 25 -8.223 4.436 -1.752 166 HB2 ALA 25 2HB ALA 25 -8.679 2.929 -0.955 167 HB3 ALA 25 3HB ALA 25 -7.011 3.186 -1.468 168 H GLU 26 H GLU 26 -6.114 3.378 -4.039 169 HA GLU 26 HA GLU 26 -4.953 0.728 -3.830 170 HB2 GLU 26 1HB GLU 26 -5.247 2.101 -6.508 171 HB3 GLU 26 2HB GLU 26 -4.330 0.631 -6.210 172 HG2 GLU 26 1HG GLU 26 -6.396 -0.505 -5.534 173 HG3 GLU 26 2HG GLU 26 -7.303 0.965 -5.882 174 H LEU 27 H LEU 27 -2.735 0.745 -3.741 175 HA LEU 27 HA LEU 27 -1.492 3.411 -3.722 176 HB2 LEU 27 1HB LEU 27 -1.059 0.927 -2.144 177 HB3 LEU 27 2HB LEU 27 0.319 1.987 -2.431 178 HG LEU 27 HG LEU 27 -2.231 3.019 -1.228 179 HD11 LEU 27 1HD1 LEU 27 -0.842 1.004 -0.051 180 HD12 LEU 27 2HD1 LEU 27 -1.765 2.230 0.817 181 HD13 LEU 27 3HD1 LEU 27 -0.025 2.422 0.606 182 HD21 LEU 27 1HD2 LEU 27 -1.127 4.941 -1.247 183 HD22 LEU 27 2HD2 LEU 27 0.254 4.150 -2.008 184 HD23 LEU 27 3HD2 LEU 27 0.141 4.227 -0.249 185 H LYS 28 H LYS 28 -0.263 3.864 -5.413 186 HA LYS 28 HA LYS 28 0.598 1.894 -7.277 187 HB2 LYS 28 1HB LYS 28 1.412 4.792 -6.991 188 HB3 LYS 28 2HB LYS 28 1.769 3.772 -8.378 189 HG2 LYS 28 1HG LYS 28 -1.026 4.367 -7.447 190 HG3 LYS 28 2HG LYS 28 -0.171 5.335 -8.650 191 HD2 LYS 28 1HD LYS 28 0.090 3.333 -10.052 192 HD3 LYS 28 2HD LYS 28 -0.799 2.389 -8.854 193 HE2 LYS 28 1HE LYS 28 -2.769 3.771 -9.201 194 HE3 LYS 28 2HE LYS 28 -1.883 4.778 -10.345 195 HZ1 LYS 28 1HZ LYS 28 -1.595 2.787 -11.744 196 HZ2 LYS 28 2HZ LYS 28 -3.219 3.214 -11.541 197 HZ3 LYS 28 3HZ LYS 28 -2.573 1.910 -10.678 198 H CYS 29 H CYS 29 2.128 0.465 -6.765 199 HA CYS 29 HA CYS 29 4.729 1.456 -5.919 200 HB2 CYS 29 1HB CYS 29 3.624 0.938 -3.800 201 HB3 CYS 29 2HB CYS 29 3.232 -0.676 -4.381 202 HG CYS 29 HG CYS 29 6.411 0.480 -3.858 203 H ARG 30 H ARG 30 6.259 0.521 -7.099 204 HA ARG 30 HA ARG 30 5.632 -2.033 -8.420 205 HB2 ARG 30 1HB ARG 30 7.404 0.262 -9.247 206 HB3 ARG 30 2HB ARG 30 7.476 -1.314 -10.024 207 HG2 ARG 30 1HG ARG 30 4.865 0.114 -9.806 208 HG3 ARG 30 2HG ARG 30 6.027 0.574 -11.052 209 HD2 ARG 30 1HD ARG 30 6.082 -2.031 -11.468 210 HD3 ARG 30 2HD ARG 30 4.489 -1.952 -10.718 211 HE ARG 30 HE ARG 30 3.705 -1.110 -12.678 212 HH11 ARG 30 2HH1 ARG 30 7.106 -0.397 -12.468 213 HH12 ARG 30 1HH1 ARG 30 7.181 0.339 -14.034 214 HH21 ARG 30 2HH2 ARG 30 3.791 -0.143 -14.742 215 HH22 ARG 30 1HH2 ARG 30 5.295 0.484 -15.327 216 H THR 31 H THR 31 6.977 -3.749 -8.210 217 HA THR 31 HA THR 31 9.445 -3.362 -6.649 218 HB THR 31 HB THR 31 8.969 -5.711 -5.724 219 HG1 THR 31 1HG THR 31 7.155 -6.044 -7.208 220 HG21 THR 31 1HG2 THR 31 6.885 -4.034 -4.550 221 HG22 THR 31 2HG2 THR 31 8.421 -3.194 -4.763 222 HG23 THR 31 3HG2 THR 31 8.354 -4.686 -3.826 223 HA PRO 32 HA PRO 32 11.521 -5.631 -9.786 224 HB2 PRO 32 1HB PRO 32 13.500 -6.797 -8.340 225 HB3 PRO 32 2HB PRO 32 13.477 -5.070 -8.719 226 HG2 PRO 32 1HG PRO 32 12.657 -6.468 -6.202 227 HG3 PRO 32 2HG PRO 32 13.592 -4.974 -6.399 228 HD2 PRO 32 1HD PRO 32 10.956 -4.972 -5.781 229 HD3 PRO 32 2HD PRO 32 11.709 -3.694 -6.756 230 HA PRO 33 HA PRO 33 10.258 -9.840 -9.924 231 HB2 PRO 33 1HB PRO 33 12.325 -11.048 -11.203 232 HB3 PRO 33 2HB PRO 33 11.192 -9.964 -12.019 233 HG2 PRO 33 1HG PRO 33 13.938 -9.394 -10.971 234 HG3 PRO 33 2HG PRO 33 13.198 -8.892 -12.503 235 HD2 PRO 33 1HD PRO 33 13.393 -7.238 -10.367 236 HD3 PRO 33 2HD PRO 33 12.046 -7.153 -11.521 237 H MET 34 H MET 34 10.335 -11.698 -8.743 238 HA MET 34 HA MET 34 10.934 -13.157 -7.106 239 HB2 MET 34 1HB MET 34 13.735 -12.348 -7.908 240 HB3 MET 34 2HB MET 34 13.328 -13.731 -6.901 241 HG2 MET 34 1HG MET 34 11.849 -14.403 -8.949 242 HG3 MET 34 2HG MET 34 12.943 -13.333 -9.823 243 HE1 MET 34 1HE MET 34 15.508 -13.434 -8.665 244 HE2 MET 34 2HE MET 34 16.408 -14.928 -8.928 245 HE3 MET 34 3HE MET 34 15.681 -14.084 -10.296 246 H SER 35 H SER 35 10.230 -10.599 -6.277 247 HA SER 35 HA SER 35 11.974 -10.234 -3.928 248 HB2 SER 35 1HB SER 35 11.645 -7.891 -3.991 249 HB3 SER 35 2HB SER 35 11.970 -8.347 -5.663 250 HG SER 35 HG SER 35 9.471 -8.545 -5.614 251 H SER 36 H SER 36 10.913 -9.524 -1.980 252 HA SER 36 HA SER 36 8.253 -10.691 -1.732 253 HB2 SER 36 1HB SER 36 10.267 -9.768 0.327 254 HB3 SER 36 2HB SER 36 8.669 -10.391 0.735 255 HG SER 36 HG SER 36 10.605 -11.807 -0.783 256 H VAL 37 H VAL 37 6.442 -9.546 -1.469 257 HA VAL 37 HA VAL 37 6.699 -6.634 -1.097 258 HB VAL 37 HB VAL 37 4.520 -8.200 -2.486 259 HG11 VAL 37 1HG1 VAL 37 3.645 -6.258 -1.238 260 HG12 VAL 37 2HG1 VAL 37 4.758 -5.215 -2.124 261 HG13 VAL 37 3HG1 VAL 37 3.481 -6.075 -2.984 262 HG21 VAL 37 1HG2 VAL 37 6.790 -6.494 -3.435 263 HG22 VAL 37 2HG2 VAL 37 6.286 -8.090 -3.991 264 HG23 VAL 37 3HG2 VAL 37 5.329 -6.669 -4.408 265 H LYS 38 H LYS 38 5.828 -5.740 0.657 266 HA LYS 38 HA LYS 38 3.619 -7.057 2.033 267 HB2 LYS 38 1HB LYS 38 6.158 -6.265 3.472 268 HB3 LYS 38 2HB LYS 38 4.715 -6.951 4.206 269 HG2 LYS 38 1HG LYS 38 5.128 -8.946 2.628 270 HG3 LYS 38 2HG LYS 38 6.752 -8.275 2.462 271 HD2 LYS 38 1HD LYS 38 7.062 -9.711 4.227 272 HD3 LYS 38 2HD LYS 38 6.655 -8.223 5.086 273 HE2 LYS 38 1HE LYS 38 4.310 -8.976 5.213 274 HE3 LYS 38 2HE LYS 38 4.769 -10.482 4.419 275 HZ1 LYS 38 1HZ LYS 38 4.637 -10.697 6.840 276 HZ2 LYS 38 2HZ LYS 38 5.851 -9.533 7.017 277 HZ3 LYS 38 3HZ LYS 38 6.198 -11.010 6.268 278 H TRP 39 H TRP 39 2.650 -5.661 3.711 279 HA TRP 39 HA TRP 39 3.262 -2.814 3.418 280 HB2 TRP 39 1HB TRP 39 0.609 -4.114 2.825 281 HB3 TRP 39 2HB TRP 39 0.728 -2.415 3.274 282 HD1 TRP 39 HD TRP 39 1.652 -4.831 0.442 283 HE1 TRP 39 1HE TRP 39 2.131 -3.457 -1.680 284 HE3 TRP 39 3HE TRP 39 1.462 -0.136 2.456 285 HZ2 TRP 39 2HZ TRP 39 2.394 -0.741 -2.405 286 HZ3 TRP 39 3HZ TRP 39 1.839 1.796 0.980 287 HH2 TRP 39 HH TRP 39 2.296 1.498 -1.400 288 H LEU 40 H LEU 40 3.417 -1.921 5.359 289 HA LEU 40 HA LEU 40 2.285 -3.299 7.665 290 HB2 LEU 40 1HB LEU 40 4.664 -2.517 7.603 291 HB3 LEU 40 2HB LEU 40 4.057 -0.863 7.616 292 HG LEU 40 HG LEU 40 3.249 -2.721 9.807 293 HD11 LEU 40 1HD1 LEU 40 5.926 -1.367 9.551 294 HD12 LEU 40 2HD1 LEU 40 5.603 -3.087 9.768 295 HD13 LEU 40 3HD1 LEU 40 5.262 -1.954 11.075 296 HD21 LEU 40 1HD2 LEU 40 2.425 -0.304 9.380 297 HD22 LEU 40 2HD2 LEU 40 4.000 0.169 10.019 298 HD23 LEU 40 3HD2 LEU 40 2.891 -0.776 11.014 299 H LEU 41 H LEU 41 0.771 -2.442 9.029 300 HA LEU 41 HA LEU 41 -0.667 -0.095 8.018 301 HB2 LEU 41 1HB LEU 41 -1.551 -2.139 10.048 302 HB3 LEU 41 2HB LEU 41 -2.545 -0.871 9.334 303 HG LEU 41 HG LEU 41 -3.174 -2.880 8.272 304 HD11 LEU 41 1HD1 LEU 41 -2.507 -0.799 6.844 305 HD12 LEU 41 2HD1 LEU 41 -2.910 -2.326 6.058 306 HD13 LEU 41 3HD1 LEU 41 -1.222 -1.858 6.262 307 HD21 LEU 41 1HD2 LEU 41 -0.647 -3.694 7.113 308 HD22 LEU 41 2HD2 LEU 41 -1.842 -4.643 7.997 309 HD23 LEU 41 3HD2 LEU 41 -0.610 -3.736 8.876 310 HA PRO 42 HA PRO 42 0.517 2.465 11.382 311 HB2 PRO 42 1HB PRO 42 -1.710 3.990 11.678 312 HB3 PRO 42 2HB PRO 42 -0.597 4.169 10.317 313 HG2 PRO 42 1HG PRO 42 -3.212 2.717 10.447 314 HG3 PRO 42 2HG PRO 42 -2.580 3.772 9.169 315 HD2 PRO 42 1HD PRO 42 -2.509 1.071 8.995 316 HD3 PRO 42 2HD PRO 42 -1.263 2.107 8.272 317 H ASN 43 H ASN 43 -1.611 -0.005 11.730 318 HA ASN 43 HA ASN 43 -2.386 0.688 14.472 319 HB2 ASN 43 1HB ASN 43 -4.139 -0.797 14.292 320 HB3 ASN 43 2HB ASN 43 -3.974 -0.306 12.609 321 HD21 ASN 43 1HD2 ASN 43 -3.751 -1.842 11.144 322 HD22 ASN 43 2HD2 ASN 43 -3.343 -3.490 11.464 323 H GLY 44 H GLY 44 -0.091 -1.099 12.731 324 HA2 GLY 44 1HA GLY 44 1.803 -2.013 13.904 325 HA3 GLY 44 2HA GLY 44 0.720 -2.460 15.214 326 H THR 45 H THR 45 0.973 -3.057 11.706 327 HA THR 45 HA THR 45 1.259 -5.873 12.065 328 HB THR 45 HB THR 45 -1.343 -5.053 10.782 329 HG1 THR 45 1HG THR 45 -1.870 -4.604 12.811 330 HG21 THR 45 1HG2 THR 45 -1.800 -7.519 11.491 331 HG22 THR 45 2HG2 THR 45 -0.042 -7.631 11.571 332 HG23 THR 45 3HG2 THR 45 -0.830 -7.193 10.055 333 H VAL 46 H VAL 46 1.051 -7.028 9.885 334 HA VAL 46 HA VAL 46 1.507 -5.293 7.588 335 HB VAL 46 HB VAL 46 3.540 -7.386 8.367 336 HG11 VAL 46 1HG1 VAL 46 3.101 -6.834 5.907 337 HG12 VAL 46 2HG1 VAL 46 3.826 -5.265 6.263 338 HG13 VAL 46 3HG1 VAL 46 4.766 -6.742 6.481 339 HG21 VAL 46 1HG2 VAL 46 4.994 -5.225 8.530 340 HG22 VAL 46 2HG2 VAL 46 3.444 -4.435 8.818 341 HG23 VAL 46 3HG2 VAL 46 3.993 -5.718 9.895 342 H LEU 47 H LEU 47 0.972 -6.220 5.652 343 HA LEU 47 HA LEU 47 -0.063 -8.975 5.781 344 HB2 LEU 47 1HB LEU 47 -0.965 -6.632 4.117 345 HB3 LEU 47 2HB LEU 47 -1.545 -8.281 3.892 346 HG LEU 47 HG LEU 47 -1.897 -6.693 6.432 347 HD11 LEU 47 1HD1 LEU 47 -4.365 -6.840 5.493 348 HD12 LEU 47 2HD1 LEU 47 -3.516 -6.854 3.948 349 HD13 LEU 47 3HD1 LEU 47 -3.286 -5.511 5.068 350 HD21 LEU 47 1HD2 LEU 47 -2.616 -8.595 7.316 351 HD22 LEU 47 2HD2 LEU 47 -2.181 -9.442 5.832 352 HD23 LEU 47 3HD2 LEU 47 -3.802 -8.771 6.023 353 H SER 48 H SER 48 -0.255 -9.887 3.416 354 HA SER 48 HA SER 48 1.835 -9.112 1.609 355 HB2 SER 48 1HB SER 48 2.856 -10.555 3.574 356 HB3 SER 48 2HB SER 48 2.176 -11.896 2.652 357 HG SER 48 HG SER 48 3.745 -9.943 1.371 358 H HIS 49 H HIS 49 1.990 -10.704 -0.245 359 HA HIS 49 HA HIS 49 -0.379 -11.024 -1.536 360 HB2 HIS 49 1HB HIS 49 2.126 -11.504 -2.262 361 HB3 HIS 49 2HB HIS 49 1.656 -13.171 -1.944 362 HD1 HIS 49 1HD HIS 49 -1.234 -13.052 -3.064 363 HD2 HIS 49 2HD HIS 49 2.116 -11.529 -4.993 364 HE1 HIS 49 1HE HIS 49 -1.836 -12.986 -5.505 365 HE2 HIS 49 2HE HIS 49 0.237 -12.141 -6.661 366 H ALA 50 H ALA 50 0.937 -13.068 0.947 367 HA ALA 50 HA ALA 50 -0.763 -15.312 0.481 368 HB1 ALA 50 1HB ALA 50 0.838 -14.479 2.894 369 HB2 ALA 50 2HB ALA 50 -0.040 -16.004 2.765 370 HB3 ALA 50 3HB ALA 50 1.289 -15.656 1.659 371 H SER 51 H SER 51 -0.806 -12.707 2.915 372 HA SER 51 HA SER 51 -2.909 -13.250 4.455 373 HB2 SER 51 1HB SER 51 -3.195 -10.966 4.838 374 HB3 SER 51 2HB SER 51 -1.557 -11.033 4.189 375 HG SER 51 HG SER 51 -2.594 -10.609 2.093 376 H ARG 52 H ARG 52 -5.144 -13.189 4.412 377 HA ARG 52 HA ARG 52 -6.329 -13.273 1.722 378 HB2 ARG 52 1HB ARG 52 -6.417 -15.273 3.396 379 HB3 ARG 52 2HB ARG 52 -7.684 -14.336 4.177 380 HG2 ARG 52 1HG ARG 52 -9.102 -14.492 2.333 381 HG3 ARG 52 2HG ARG 52 -7.789 -14.956 1.249 382 HD2 ARG 52 1HD ARG 52 -7.759 -17.131 1.999 383 HD3 ARG 52 2HD ARG 52 -8.441 -16.709 3.569 384 HE ARG 52 HE ARG 52 -10.533 -17.008 2.696 385 HH11 ARG 52 2HH1 ARG 52 -8.248 -16.705 0.087 386 HH12 ARG 52 1HH1 ARG 52 -9.400 -17.109 -1.142 387 HH21 ARG 52 2HH2 ARG 52 -12.059 -17.541 1.087 388 HH22 ARG 52 1HH2 ARG 52 -11.568 -17.584 -0.572 389 H HIS 53 H HIS 53 -5.828 -10.940 3.650 390 HA HIS 53 HA HIS 53 -8.165 -9.941 4.722 391 HB2 HIS 53 1HB HIS 53 -5.714 -8.987 4.668 392 HB3 HIS 53 2HB HIS 53 -6.313 -8.080 3.283 393 HD1 HIS 53 1HD HIS 53 -8.591 -6.639 3.851 394 HD2 HIS 53 2HD HIS 53 -6.190 -7.781 7.044 395 HE1 HIS 53 1HE HIS 53 -9.243 -5.132 5.756 396 HE2 HIS 53 2HE HIS 53 -7.717 -5.784 7.651 397 HA PRO 54 HA PRO 54 -10.769 -9.374 1.187 398 HB2 PRO 54 1HB PRO 54 -12.708 -7.936 2.430 399 HB3 PRO 54 2HB PRO 54 -12.525 -9.682 2.636 400 HG2 PRO 54 1HG PRO 54 -11.614 -7.460 4.422 401 HG3 PRO 54 2HG PRO 54 -12.386 -8.996 4.853 402 HD2 PRO 54 1HD PRO 54 -9.717 -8.595 5.071 403 HD3 PRO 54 2HD PRO 54 -10.416 -10.180 4.679 404 H ARG 55 H ARG 55 -10.387 -6.539 3.328 405 HA ARG 55 HA ARG 55 -10.807 -4.662 1.230 406 HB2 ARG 55 1HB ARG 55 -9.587 -4.299 3.973 407 HB3 ARG 55 2HB ARG 55 -10.041 -2.989 2.892 408 HG2 ARG 55 1HG ARG 55 -12.372 -3.689 3.003 409 HG3 ARG 55 2HG ARG 55 -11.924 -5.023 4.067 410 HD2 ARG 55 1HD ARG 55 -11.954 -2.084 4.617 411 HD3 ARG 55 2HD ARG 55 -12.656 -3.402 5.554 412 HE ARG 55 HE ARG 55 -10.609 -3.750 6.568 413 HH11 ARG 55 2HH1 ARG 55 -10.302 -1.452 3.971 414 HH12 ARG 55 1HH1 ARG 55 -8.707 -0.952 4.428 415 HH21 ARG 55 2HH2 ARG 55 -8.510 -3.100 7.179 416 HH22 ARG 55 1HH2 ARG 55 -7.688 -1.890 6.252 417 H ILE 56 H ILE 56 -7.877 -5.127 3.210 418 HA ILE 56 HA ILE 56 -6.201 -3.879 1.273 419 HB ILE 56 HB ILE 56 -5.295 -5.650 3.538 420 HG12 ILE 56 1HG1 ILE 56 -5.670 -2.663 3.694 421 HG13 ILE 56 2HG1 ILE 56 -6.937 -3.786 4.174 422 HG21 ILE 56 1HG2 ILE 56 -3.991 -3.819 1.646 423 HG22 ILE 56 2HG2 ILE 56 -3.490 -3.646 3.327 424 HG23 ILE 56 3HG2 ILE 56 -3.340 -5.206 2.519 425 HD11 ILE 56 1HD1 ILE 56 -5.535 -4.713 5.886 426 HD12 ILE 56 2HD1 ILE 56 -4.170 -3.734 5.348 427 HD13 ILE 56 3HD1 ILE 56 -5.585 -2.958 6.059 428 H SER 57 H SER 57 -6.071 -4.865 -0.669 429 HA SER 57 HA SER 57 -5.329 -7.716 -0.706 430 HB2 SER 57 1HB SER 57 -6.846 -6.019 -2.680 431 HB3 SER 57 2HB SER 57 -6.116 -7.553 -3.152 432 HG SER 57 HG SER 57 -7.621 -8.591 -2.101 433 H VAL 58 H VAL 58 -3.271 -8.099 -1.140 434 HA VAL 58 HA VAL 58 -1.619 -6.049 -2.367 435 HB VAL 58 HB VAL 58 -0.858 -8.772 -1.300 436 HG11 VAL 58 1HG1 VAL 58 0.928 -6.446 -1.997 437 HG12 VAL 58 2HG1 VAL 58 1.424 -8.050 -1.454 438 HG13 VAL 58 3HG1 VAL 58 0.670 -7.847 -3.035 439 HG21 VAL 58 1HG2 VAL 58 -0.187 -6.176 0.017 440 HG22 VAL 58 2HG2 VAL 58 -1.775 -6.902 0.269 441 HG23 VAL 58 3HG2 VAL 58 -0.318 -7.789 0.718 442 H LEU 59 H LEU 59 -1.977 -5.954 -4.527 443 HA LEU 59 HA LEU 59 -2.427 -8.217 -6.176 444 HB2 LEU 59 1HB LEU 59 -1.409 -5.535 -7.078 445 HB3 LEU 59 2HB LEU 59 -2.323 -6.715 -8.016 446 HG LEU 59 HG LEU 59 -3.405 -5.130 -5.686 447 HD11 LEU 59 1HD1 LEU 59 -2.818 -4.053 -8.048 448 HD12 LEU 59 2HD1 LEU 59 -4.252 -3.599 -7.127 449 HD13 LEU 59 3HD1 LEU 59 -4.385 -4.754 -8.454 450 HD21 LEU 59 1HD2 LEU 59 -5.592 -5.973 -6.724 451 HD22 LEU 59 2HD2 LEU 59 -4.641 -7.109 -5.767 452 HD23 LEU 59 3HD2 LEU 59 -4.589 -7.179 -7.529 453 H ASN 60 H ASN 60 -1.066 -9.301 -7.575 454 HA ASN 60 HA ASN 60 1.449 -9.977 -6.824 455 HB2 ASN 60 1HB ASN 60 0.701 -11.350 -8.500 456 HB3 ASN 60 2HB ASN 60 0.032 -10.019 -9.439 457 HD21 ASN 60 1HD2 ASN 60 3.198 -11.128 -8.274 458 HD22 ASN 60 2HD2 ASN 60 4.031 -10.848 -9.761 459 H ASP 61 H ASP 61 0.820 -7.677 -9.481 460 HA ASP 61 HA ASP 61 3.269 -6.783 -10.090 461 HB2 ASP 61 1HB ASP 61 2.193 -4.426 -10.244 462 HB3 ASP 61 2HB ASP 61 1.533 -5.725 -11.235 463 H GLY 62 H GLY 62 1.475 -5.866 -7.182 464 HA2 GLY 62 1HA GLY 62 2.904 -5.628 -5.161 465 HA3 GLY 62 2HA GLY 62 3.961 -4.638 -6.157 466 H THR 63 H THR 63 0.422 -4.627 -5.911 467 HA THR 63 HA THR 63 0.592 -1.847 -4.944 468 HB THR 63 HB THR 63 -1.412 -3.020 -6.880 469 HG1 THR 63 1HG THR 63 0.863 -2.126 -7.445 470 HG21 THR 63 1HG2 THR 63 -2.846 -1.500 -6.082 471 HG22 THR 63 2HG2 THR 63 -1.781 -0.272 -6.766 472 HG23 THR 63 3HG2 THR 63 -1.605 -0.752 -5.078 473 H LEU 64 H LEU 64 -0.817 -1.213 -3.348 474 HA LEU 64 HA LEU 64 -2.218 -3.390 -1.976 475 HB2 LEU 64 1HB LEU 64 -0.494 -1.823 -0.869 476 HB3 LEU 64 2HB LEU 64 -1.795 -0.633 -0.877 477 HG LEU 64 HG LEU 64 -3.164 -2.181 0.486 478 HD11 LEU 64 1HD1 LEU 64 -2.404 -4.324 0.056 479 HD12 LEU 64 2HD1 LEU 64 -1.742 -3.997 1.658 480 HD13 LEU 64 3HD1 LEU 64 -0.709 -3.870 0.235 481 HD21 LEU 64 1HD2 LEU 64 -2.116 -1.671 2.532 482 HD22 LEU 64 2HD2 LEU 64 -1.631 -0.388 1.423 483 HD23 LEU 64 3HD2 LEU 64 -0.508 -1.694 1.807 484 H ASN 65 H ASN 65 -4.247 -3.601 -2.697 485 HA ASN 65 HA ASN 65 -5.819 -1.218 -3.321 486 HB2 ASN 65 1HB ASN 65 -5.856 -3.032 -4.959 487 HB3 ASN 65 2HB ASN 65 -6.429 -4.154 -3.729 488 HD21 ASN 65 1HD2 ASN 65 -7.366 -2.329 -6.261 489 HD22 ASN 65 2HD2 ASN 65 -9.034 -2.106 -5.870 490 H PHE 66 H PHE 66 -7.858 -0.816 -2.389 491 HA PHE 66 HA PHE 66 -8.430 -2.282 0.096 492 HB2 PHE 66 1HB PHE 66 -8.444 0.722 -0.261 493 HB3 PHE 66 2HB PHE 66 -9.040 -0.120 1.165 494 HD1 PHE 66 1HD PHE 66 -5.963 -0.161 -0.952 495 HD2 PHE 66 2HD PHE 66 -7.631 -0.109 2.963 496 HE1 PHE 66 1HE PHE 66 -3.698 -0.125 0.008 497 HE2 PHE 66 2HE PHE 66 -5.369 -0.072 3.930 498 HZ PHE 66 HZ PHE 66 -3.398 -0.079 2.453 499 H SER 67 H SER 67 -10.275 -3.305 -0.372 500 HA SER 67 HA SER 67 -12.175 -2.708 -2.242 501 HB2 SER 67 1HB SER 67 -12.026 -4.780 -0.772 502 HB3 SER 67 2HB SER 67 -12.887 -3.857 0.460 503 HG SER 67 HG SER 67 -13.990 -3.869 -2.090 504 H HIS 68 H HIS 68 -12.330 -1.782 1.198 505 HA HIS 68 HA HIS 68 -13.682 0.682 0.478 506 HB2 HIS 68 1HB HIS 68 -15.576 0.309 1.980 507 HB3 HIS 68 2HB HIS 68 -15.537 -0.917 0.716 508 HD1 HIS 68 1HD HIS 68 -14.637 -3.318 1.473 509 HD2 HIS 68 2HD HIS 68 -15.520 -0.659 4.541 510 HE1 HIS 68 1HE HIS 68 -14.803 -4.722 3.553 511 HE2 HIS 68 2HE HIS 68 -15.421 -3.103 5.381 512 H VAL 69 H VAL 69 -12.312 2.056 1.430 513 HA VAL 69 HA VAL 69 -10.906 1.475 3.838 514 HB VAL 69 HB VAL 69 -10.151 3.812 3.746 515 HG11 VAL 69 1HG1 VAL 69 -8.722 3.484 1.992 516 HG12 VAL 69 2HG1 VAL 69 -9.353 1.846 2.175 517 HG13 VAL 69 3HG1 VAL 69 -9.995 2.905 0.918 518 HG21 VAL 69 1HG2 VAL 69 -11.394 4.415 1.174 519 HG22 VAL 69 2HG2 VAL 69 -12.547 4.306 2.504 520 HG23 VAL 69 3HG2 VAL 69 -11.193 5.431 2.602 521 H LEU 70 H LEU 70 -11.043 2.709 5.829 522 HA LEU 70 HA LEU 70 -13.702 3.837 6.369 523 HB2 LEU 70 1HB LEU 70 -12.303 2.118 8.383 524 HB3 LEU 70 2HB LEU 70 -13.997 2.601 8.326 525 HG LEU 70 HG LEU 70 -12.934 0.838 6.169 526 HD11 LEU 70 1HD1 LEU 70 -12.564 -0.934 7.457 527 HD12 LEU 70 2HD1 LEU 70 -14.056 -0.674 8.359 528 HD13 LEU 70 3HD1 LEU 70 -12.579 0.161 8.840 529 HD21 LEU 70 1HD2 LEU 70 -15.534 1.559 7.383 530 HD22 LEU 70 2HD2 LEU 70 -15.351 -0.101 6.815 531 HD23 LEU 70 3HD2 LEU 70 -15.113 1.245 5.700 532 H LEU 71 H LEU 71 -13.749 5.085 8.438 533 HA LEU 71 HA LEU 71 -11.727 7.034 8.457 534 HB2 LEU 71 1HB LEU 71 -13.773 6.393 10.576 535 HB3 LEU 71 2HB LEU 71 -12.819 7.872 10.492 536 HG LEU 71 HG LEU 71 -14.884 6.989 8.475 537 HD11 LEU 71 1HD1 LEU 71 -15.449 7.919 10.910 538 HD12 LEU 71 2HD1 LEU 71 -16.402 8.332 9.485 539 HD13 LEU 71 3HD1 LEU 71 -15.180 9.454 10.084 540 HD21 LEU 71 1HD2 LEU 71 -14.541 9.110 7.417 541 HD22 LEU 71 2HD2 LEU 71 -12.980 8.300 7.547 542 HD23 LEU 71 3HD2 LEU 71 -13.393 9.602 8.663 543 H SER 72 H SER 72 -11.900 3.965 9.939 544 HA SER 72 HA SER 72 -9.989 4.601 12.032 545 HB2 SER 72 1HB SER 72 -11.524 2.137 11.257 546 HB3 SER 72 2HB SER 72 -10.153 2.023 12.361 547 HG SER 72 HG SER 72 -12.277 2.351 13.350 548 H ASP 73 H ASP 73 -9.890 3.784 8.783 549 HA ASP 73 HA ASP 73 -7.396 2.300 8.916 550 HB2 ASP 73 1HB ASP 73 -9.206 3.152 6.666 551 HB3 ASP 73 2HB ASP 73 -7.603 2.494 6.353 552 H THR 74 H THR 74 -8.381 5.529 8.812 553 HA THR 74 HA THR 74 -6.474 6.767 7.211 554 HB THR 74 HB THR 74 -7.701 7.779 9.784 555 HG1 THR 74 1HG THR 74 -9.393 8.063 8.558 556 HG21 THR 74 1HG2 THR 74 -5.528 8.858 8.531 557 HG22 THR 74 2HG2 THR 74 -6.688 9.768 9.500 558 HG23 THR 74 3HG2 THR 74 -6.856 9.712 7.745 559 H GLY 75 H GLY 75 -4.347 7.136 7.381 560 HA2 GLY 75 1HA GLY 75 -2.837 7.661 9.599 561 HA3 GLY 75 2HA GLY 75 -2.873 5.906 9.516 562 H VAL 76 H VAL 76 -0.919 5.306 8.827 563 HA VAL 76 HA VAL 76 0.002 6.377 6.255 564 HB VAL 76 HB VAL 76 1.788 6.005 8.665 565 HG11 VAL 76 1HG1 VAL 76 2.679 7.294 6.133 566 HG12 VAL 76 2HG1 VAL 76 3.614 6.417 7.346 567 HG13 VAL 76 3HG1 VAL 76 2.599 5.534 6.205 568 HG21 VAL 76 1HG2 VAL 76 0.160 8.105 8.252 569 HG22 VAL 76 2HG2 VAL 76 1.737 8.236 9.031 570 HG23 VAL 76 3HG2 VAL 76 1.565 8.622 7.319 571 H TYR 77 H TYR 77 0.684 4.853 4.875 572 HA TYR 77 HA TYR 77 1.001 2.118 5.919 573 HB2 TYR 77 1HB TYR 77 0.117 3.072 3.189 574 HB3 TYR 77 2HB TYR 77 0.410 1.387 3.603 575 HD1 TYR 77 2HD TYR 77 -1.663 4.327 4.560 576 HD2 TYR 77 1HD TYR 77 -1.303 0.088 4.512 577 HE1 TYR 77 2HE TYR 77 -3.980 4.127 5.359 578 HE2 TYR 77 1HE TYR 77 -3.620 -0.124 5.310 579 HH TYR 77 HH TYR 77 -5.389 2.507 6.534 580 H THR 78 H THR 78 3.048 1.503 6.039 581 HA THR 78 HA THR 78 5.020 2.657 4.211 582 HB THR 78 HB THR 78 5.489 0.924 6.644 583 HG1 THR 78 1HG THR 78 5.945 3.715 6.476 584 HG21 THR 78 1HG2 THR 78 7.342 0.838 5.083 585 HG22 THR 78 2HG2 THR 78 7.794 1.810 6.484 586 HG23 THR 78 3HG2 THR 78 7.362 2.598 4.967 587 H CYS 79 H CYS 79 5.522 1.578 2.430 588 HA CYS 79 HA CYS 79 4.921 -1.253 2.207 589 HB2 CYS 79 1HB CYS 79 4.325 0.234 0.355 590 HB3 CYS 79 2HB CYS 79 6.011 0.705 0.175 591 HG CYS 79 HG CYS 79 4.588 -2.301 -0.581 592 H MET 80 H MET 80 6.365 -2.868 2.257 593 HA MET 80 HA MET 80 9.192 -2.141 2.597 594 HB2 MET 80 1HB MET 80 7.879 -4.757 3.333 595 HB3 MET 80 2HB MET 80 9.476 -4.194 3.807 596 HG2 MET 80 1HG MET 80 8.172 -2.247 4.921 597 HG3 MET 80 2HG MET 80 6.797 -3.342 4.802 598 HE1 MET 80 1HE MET 80 6.900 -4.983 7.974 599 HE2 MET 80 2HE MET 80 6.864 -3.221 7.908 600 HE3 MET 80 3HE MET 80 6.060 -4.167 6.654 601 H VAL 81 H VAL 81 10.788 -3.108 1.388 602 HA VAL 81 HA VAL 81 9.966 -5.016 -0.686 603 HB VAL 81 HB VAL 81 11.627 -2.546 -1.207 604 HG11 VAL 81 1HG1 VAL 81 10.666 -4.285 -3.404 605 HG12 VAL 81 2HG1 VAL 81 12.151 -3.340 -3.269 606 HG13 VAL 81 3HG1 VAL 81 12.008 -4.886 -2.430 607 HG21 VAL 81 1HG2 VAL 81 8.840 -2.881 -1.174 608 HG22 VAL 81 2HG2 VAL 81 9.752 -1.510 -1.804 609 HG23 VAL 81 3HG2 VAL 81 9.309 -2.840 -2.874 610 H THR 82 H THR 82 11.127 -6.773 -0.250 611 HA THR 82 HA THR 82 13.984 -6.434 0.398 612 HB THR 82 HB THR 82 12.287 -8.795 1.210 613 HG1 THR 82 1HG THR 82 11.820 -6.569 2.173 614 HG21 THR 82 1HG2 THR 82 14.798 -9.032 1.031 615 HG22 THR 82 2HG2 THR 82 14.109 -9.392 2.615 616 HG23 THR 82 3HG2 THR 82 14.918 -7.850 2.334 617 H ASN 83 H ASN 83 15.426 -7.397 -0.897 618 HA ASN 83 HA ASN 83 14.572 -9.595 -2.628 619 HB2 ASN 83 1HB ASN 83 14.491 -7.191 -3.725 620 HB3 ASN 83 2HB ASN 83 16.229 -7.435 -3.863 621 HD21 ASN 83 1HD2 ASN 83 15.027 -7.132 -6.150 622 HD22 ASN 83 2HD2 ASN 83 14.814 -8.627 -6.990 623 H VAL 84 H VAL 84 16.626 -10.321 -3.962 624 HA VAL 84 HA VAL 84 18.622 -10.984 -1.981 625 HB VAL 84 HB VAL 84 18.050 -12.799 -3.360 626 HG11 VAL 84 1HG1 VAL 84 17.081 -12.373 -5.317 627 HG12 VAL 84 2HG1 VAL 84 17.801 -10.764 -5.397 628 HG13 VAL 84 3HG1 VAL 84 18.697 -12.164 -5.989 629 HG21 VAL 84 1HG2 VAL 84 20.110 -13.434 -4.392 630 HG22 VAL 84 2HG2 VAL 84 20.599 -11.750 -4.581 631 HG23 VAL 84 3HG2 VAL 84 20.497 -12.463 -2.971 632 H ALA 85 H ALA 85 18.220 -8.592 -4.356 633 HA ALA 85 HA ALA 85 21.087 -8.152 -4.694 634 HB1 ALA 85 1HB ALA 85 20.459 -6.488 -6.349 635 HB2 ALA 85 2HB ALA 85 19.641 -8.017 -6.671 636 HB3 ALA 85 3HB ALA 85 18.758 -6.684 -5.925 637 H GLY 86 H GLY 86 18.225 -6.564 -3.346 638 HA2 GLY 86 1HA GLY 86 19.812 -5.169 -1.414 639 HA3 GLY 86 2HA GLY 86 19.222 -4.096 -2.675 640 H ASN 87 H ASN 87 18.309 -3.248 -0.487 641 HA ASN 87 HA ASN 87 15.549 -4.224 -0.326 642 HB2 ASN 87 1HB ASN 87 16.779 -5.195 1.579 643 HB3 ASN 87 2HB ASN 87 17.269 -3.579 2.079 644 HD21 ASN 87 1HD2 ASN 87 15.921 -2.378 3.281 645 HD22 ASN 87 2HD2 ASN 87 14.337 -2.872 3.766 646 H SER 88 H SER 88 14.011 -2.657 0.297 647 HA SER 88 HA SER 88 14.855 0.063 0.787 648 HB2 SER 88 1HB SER 88 13.712 -0.814 -1.840 649 HB3 SER 88 2HB SER 88 13.313 0.787 -1.217 650 HG SER 88 HG SER 88 15.171 1.367 -1.984 651 H ASN 89 H ASN 89 12.804 1.529 0.788 652 HA ASN 89 HA ASN 89 10.352 0.158 1.473 653 HB2 ASN 89 1HB ASN 89 10.290 1.407 3.727 654 HB3 ASN 89 2HB ASN 89 11.283 -0.044 3.621 655 HD21 ASN 89 1HD2 ASN 89 11.286 3.427 3.815 656 HD22 ASN 89 2HD2 ASN 89 12.952 3.602 4.240 657 H ALA 90 H ALA 90 8.598 1.716 2.004 658 HA ALA 90 HA ALA 90 9.053 4.477 1.239 659 HB1 ALA 90 1HB ALA 90 8.743 3.385 -0.921 660 HB2 ALA 90 2HB ALA 90 7.205 2.719 -0.371 661 HB3 ALA 90 3HB ALA 90 7.396 4.463 -0.555 662 H SER 91 H SER 91 7.191 5.843 1.622 663 HA SER 91 HA SER 91 5.221 4.628 3.446 664 HB2 SER 91 1HB SER 91 6.525 7.348 3.719 665 HB3 SER 91 2HB SER 91 5.267 6.705 4.775 666 HG SER 91 HG SER 91 6.974 4.861 4.895 667 H ALA 92 H ALA 92 3.257 6.053 3.733 668 HA ALA 92 HA ALA 92 2.571 8.001 1.811 669 HB1 ALA 92 1HB ALA 92 2.675 5.892 0.398 670 HB2 ALA 92 2HB ALA 92 1.234 5.365 1.270 671 HB3 ALA 92 3HB ALA 92 1.190 6.839 0.303 672 H TYR 93 H TYR 93 0.989 9.170 2.680 673 HA TYR 93 HA TYR 93 -0.491 8.081 4.935 674 HB2 TYR 93 1HB TYR 93 0.612 10.349 4.992 675 HB3 TYR 93 2HB TYR 93 -0.594 10.892 3.832 676 HD1 TYR 93 2HD TYR 93 -2.921 11.178 4.497 677 HD2 TYR 93 1HD TYR 93 0.017 9.914 7.302 678 HE1 TYR 93 2HE TYR 93 -4.467 11.691 6.339 679 HE2 TYR 93 1HE TYR 93 -1.521 10.422 9.152 680 HH TYR 93 HH TYR 93 -4.266 10.553 9.278 681 H LEU 94 H LEU 94 -2.661 7.749 5.002 682 HA LEU 94 HA LEU 94 -4.157 8.216 2.506 683 HB2 LEU 94 1HB LEU 94 -3.811 5.873 2.721 684 HB3 LEU 94 2HB LEU 94 -4.268 5.899 4.422 685 HG LEU 94 HG LEU 94 -6.587 6.647 3.530 686 HD11 LEU 94 1HD1 LEU 94 -7.125 6.280 1.342 687 HD12 LEU 94 2HD1 LEU 94 -5.850 5.085 1.110 688 HD13 LEU 94 3HD1 LEU 94 -5.450 6.802 1.159 689 HD21 LEU 94 1HD2 LEU 94 -6.723 4.626 4.535 690 HD22 LEU 94 2HD2 LEU 94 -5.341 3.971 3.658 691 HD23 LEU 94 3HD2 LEU 94 -6.917 4.073 2.872 692 H ASN 95 H ASN 95 -5.583 9.790 2.807 693 HA ASN 95 HA ASN 95 -6.733 10.224 5.457 694 HB2 ASN 95 1HB ASN 95 -5.824 12.186 4.344 695 HB3 ASN 95 2HB ASN 95 -6.841 11.894 2.936 696 HD21 ASN 95 1HD2 ASN 95 -7.441 14.155 3.423 697 HD22 ASN 95 2HD2 ASN 95 -8.738 14.426 4.532 698 H VAL 96 H VAL 96 -8.719 9.588 5.972 699 HA VAL 96 HA VAL 96 -10.571 8.880 3.790 700 HB VAL 96 HB VAL 96 -10.484 7.636 6.540 701 HG11 VAL 96 1HG1 VAL 96 -12.612 7.779 4.910 702 HG12 VAL 96 2HG1 VAL 96 -11.845 6.322 4.274 703 HG13 VAL 96 3HG1 VAL 96 -12.298 6.411 5.977 704 HG21 VAL 96 1HG2 VAL 96 -9.360 5.790 5.658 705 HG22 VAL 96 2HG2 VAL 96 -9.690 6.265 3.992 706 HG23 VAL 96 3HG2 VAL 96 -8.519 7.170 4.952 707 H SER 97 H SER 97 -12.251 10.200 3.659 708 HA SER 97 HA SER 97 -13.206 11.516 6.116 709 HB2 SER 97 1HB SER 97 -12.369 13.163 4.571 710 HB3 SER 97 2HB SER 97 -13.285 12.455 3.241 711 HG SER 97 HG SER 97 -14.064 14.295 5.029 712 H SER 98 H SER 98 -15.232 11.150 6.762 713 HA SER 98 HA SER 98 -16.799 9.097 5.846 714 HB2 SER 98 1HB SER 98 -17.077 10.344 8.015 715 HB3 SER 98 2HB SER 98 -17.902 11.614 7.111 716 HG SER 98 HG SER 98 -18.978 9.463 8.112 717 H GLY 99 H GLY 99 -18.542 8.869 4.467 718 HA2 GLY 99 1HA GLY 99 -18.795 11.005 2.454 719 HA3 GLY 99 2HA GLY 99 -19.131 9.303 2.174 720 HA PRO 100 HA PRO 100 -23.046 11.774 3.177 721 HB2 PRO 100 1HB PRO 100 -24.185 11.641 0.716 722 HB3 PRO 100 2HB PRO 100 -23.117 12.960 1.211 723 HG2 PRO 100 1HG PRO 100 -22.495 10.533 -0.428 724 HG3 PRO 100 2HG PRO 100 -21.990 12.214 -0.682 725 HD2 PRO 100 1HD PRO 100 -20.362 10.354 0.424 726 HD3 PRO 100 2HD PRO 100 -20.294 12.071 0.873 727 H SER 101 H SER 101 -22.270 8.821 1.490 728 HA SER 101 HA SER 101 -24.710 7.566 1.288 729 HB2 SER 101 1HB SER 101 -22.098 6.275 2.112 730 HB3 SER 101 2HB SER 101 -23.492 5.444 1.423 731 HG SER 101 HG SER 101 -21.784 7.328 0.185 732 H SER 102 H SER 102 -26.129 6.631 2.646 733 HA SER 102 HA SER 102 -25.405 6.486 5.498 734 HB2 SER 102 1HB SER 102 -28.075 7.308 4.329 735 HB3 SER 102 2HB SER 102 -27.729 7.114 6.047 736 HG SER 102 HG SER 102 -26.891 9.032 6.042 737 H GLY 103 H GLY 103 -25.172 4.369 5.889 738 HA2 GLY 103 1HA GLY 103 -25.911 2.221 6.340 739 HA3 GLY 103 2HA GLY 103 -27.469 2.649 5.649
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