NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
585196 | 2mpu | 18776 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 17.387 3.923 -18.987 2 H2 MET 1 H2 MET 1 18.439 3.039 -18.094 3 H3 MET 1 H3 MET 1 17.482 4.175 -17.366 4 HA MET 1 HA MET 1 16.592 1.697 -18.639 5 HB2 MET 1 HB2 MET 1 16.198 2.498 -15.734 6 HB3 MET 1 HB3 MET 1 15.850 0.945 -16.490 7 HG2 MET 1 HG2 MET 1 18.585 2.159 -15.958 8 HG3 MET 1 HG3 MET 1 17.857 0.771 -15.157 9 HE1 MET 1 HE1 MET 1 20.902 -0.769 -17.089 10 HE2 MET 1 HE2 MET 1 20.823 0.855 -16.369 11 HE3 MET 1 HE3 MET 1 20.125 -0.536 -15.507 12 H ALA 2 H ALA 2 14.371 1.434 -18.949 13 HA ALA 2 HA ALA 2 12.878 3.948 -19.204 14 HB1 ALA 2 HB1 ALA 2 12.370 1.153 -20.289 15 HB2 ALA 2 HB2 ALA 2 11.446 2.616 -20.685 16 HB3 ALA 2 HB3 ALA 2 13.154 2.495 -21.153 17 H GLU 3 H GLU 3 12.052 4.460 -17.320 18 HA GLU 3 HA GLU 3 10.253 2.692 -15.759 19 HB2 GLU 3 HB2 GLU 3 10.602 5.698 -15.548 20 HB3 GLU 3 HB3 GLU 3 9.673 4.643 -14.460 21 HG2 GLU 3 HG2 GLU 3 11.739 3.580 -13.689 22 HG3 GLU 3 HG3 GLU 3 12.695 4.569 -14.808 23 H SER 4 H SER 4 8.771 2.015 -17.255 24 HA SER 4 HA SER 4 6.820 4.025 -18.334 25 HB2 SER 4 HB2 SER 4 6.263 2.548 -20.050 26 HB3 SER 4 HB3 SER 4 8.025 2.458 -19.957 27 HG SER 4 HG SER 4 6.834 0.424 -20.113 28 H ASP 5 H ASP 5 4.490 2.876 -18.573 29 HA ASP 5 HA ASP 5 3.547 2.096 -15.912 30 HB2 ASP 5 HB2 ASP 5 2.191 2.031 -18.636 31 HB3 ASP 5 HB3 ASP 5 1.394 1.676 -17.102 32 H GLY 6 H GLY 6 4.930 0.354 -18.568 33 HA2 GLY 6 HA2 GLY 6 3.958 -2.307 -17.704 34 HA3 GLY 6 HA3 GLY 6 5.026 -1.939 -19.054 35 H ALA 7 H ALA 7 6.627 -0.167 -17.065 36 HA ALA 7 HA ALA 7 8.219 -2.296 -15.721 37 HB1 ALA 7 HB1 ALA 7 9.010 -1.973 -18.037 38 HB2 ALA 7 HB2 ALA 7 9.230 -0.239 -17.722 39 HB3 ALA 7 HB3 ALA 7 10.215 -1.438 -16.858 40 H GLU 8 H GLU 8 6.728 -0.934 -14.112 41 HA GLU 8 HA GLU 8 8.540 0.987 -12.716 42 HB2 GLU 8 HB2 GLU 8 6.611 2.183 -11.900 43 HB3 GLU 8 HB3 GLU 8 6.733 2.265 -13.643 44 HG2 GLU 8 HG2 GLU 8 4.932 0.533 -13.846 45 HG3 GLU 8 HG3 GLU 8 4.842 0.421 -12.087 46 H TYR 9 H TYR 9 7.949 1.174 -10.335 47 HA TYR 9 HA TYR 9 7.615 -1.583 -9.214 48 HB2 TYR 9 HB2 TYR 9 9.072 0.718 -7.929 49 HB3 TYR 9 HB3 TYR 9 9.211 -0.998 -7.585 50 HD1 TYR 9 HD1 TYR 9 9.709 -2.282 -10.165 51 HD2 TYR 9 HD2 TYR 9 11.046 1.572 -8.757 52 HE1 TYR 9 HE1 TYR 9 11.509 -2.277 -11.882 53 HE2 TYR 9 HE2 TYR 9 12.865 1.554 -10.437 54 HH TYR 9 HH TYR 9 13.809 0.466 -12.197 55 H ARG 10 H ARG 10 5.363 -1.325 -9.314 56 HA ARG 10 HA ARG 10 4.099 0.384 -7.198 57 HB2 ARG 10 HB2 ARG 10 3.770 1.193 -9.563 58 HB3 ARG 10 HB3 ARG 10 2.983 -0.339 -9.947 59 HG2 ARG 10 HG2 ARG 10 1.262 0.201 -8.146 60 HG3 ARG 10 HG3 ARG 10 2.013 1.792 -7.987 61 HD2 ARG 10 HD2 ARG 10 0.724 0.629 -10.500 62 HD3 ARG 10 HD3 ARG 10 -0.001 1.831 -9.443 63 HE ARG 10 HE ARG 10 2.102 2.239 -11.474 64 HH11 ARG 10 HH11 ARG 10 0.148 3.837 -9.037 65 HH12 ARG 10 HH12 ARG 10 0.835 5.398 -9.431 66 HH21 ARG 10 HH21 ARG 10 2.960 4.196 -11.843 67 HH22 ARG 10 HH22 ARG 10 2.300 5.620 -11.089 68 H CYS 11 H CYS 11 2.966 -0.724 -5.705 69 HA CYS 11 HA CYS 11 1.820 -3.374 -6.369 70 HB2 CYS 11 HB2 CYS 11 2.933 -4.505 -4.535 71 HB3 CYS 11 HB3 CYS 11 4.120 -3.800 -5.631 72 HG CYS 11 HG CYS 11 4.213 -1.469 -4.128 73 H PHE 12 H PHE 12 0.362 -4.229 -4.816 74 HA PHE 12 HA PHE 12 -1.484 -2.162 -3.849 75 HB2 PHE 12 HB2 PHE 12 -2.386 -3.838 -5.258 76 HB3 PHE 12 HB3 PHE 12 -1.581 -5.129 -4.379 77 HD1 PHE 12 HD1 PHE 12 -2.412 -5.927 -2.187 78 HD2 PHE 12 HD2 PHE 12 -4.548 -2.977 -4.504 79 HE1 PHE 12 HE1 PHE 12 -4.478 -6.403 -0.889 80 HE2 PHE 12 HE2 PHE 12 -6.616 -3.470 -3.208 81 HZ PHE 12 HZ PHE 12 -6.583 -5.187 -1.412 82 H VAL 13 H VAL 13 -2.278 -2.003 -1.804 83 HA VAL 13 HA VAL 13 -1.063 -3.595 0.408 84 HB VAL 13 HB VAL 13 -1.241 -0.545 0.332 85 HG11 VAL 13 HG11 VAL 13 -0.025 -0.651 2.472 86 HG12 VAL 13 HG12 VAL 13 -1.628 -1.391 2.609 87 HG13 VAL 13 HG13 VAL 13 -0.180 -2.425 2.488 88 HG21 VAL 13 HG21 VAL 13 0.677 -1.255 -0.978 89 HG22 VAL 13 HG22 VAL 13 1.241 -0.632 0.578 90 HG23 VAL 13 HG23 VAL 13 1.184 -2.386 0.295 91 H GLY 14 H GLY 14 -2.811 -4.602 1.188 92 HA2 GLY 14 HA2 GLY 14 -5.388 -3.120 1.581 93 HA3 GLY 14 HA3 GLY 14 -5.186 -4.868 1.589 94 H SER 15 H SER 15 -6.162 -2.699 3.587 95 HA SER 15 HA SER 15 -5.979 -4.026 5.944 96 HB2 SER 15 HB2 SER 15 -4.367 -2.224 7.213 97 HB3 SER 15 HB3 SER 15 -3.863 -3.818 6.660 98 HG SER 15 HG SER 15 -2.994 -2.919 4.854 99 H LEU 16 H LEU 16 -5.984 -0.906 4.430 100 HA LEU 16 HA LEU 16 -6.328 0.760 6.611 101 HB2 LEU 16 HB2 LEU 16 -7.424 1.386 3.867 102 HB3 LEU 16 HB3 LEU 16 -6.800 2.527 5.009 103 HG LEU 16 HG LEU 16 -5.279 0.528 3.296 104 HD11 LEU 16 HD11 LEU 16 -6.217 2.690 2.421 105 HD12 LEU 16 HD12 LEU 16 -4.455 2.513 2.241 106 HD13 LEU 16 HD13 LEU 16 -5.117 3.558 3.515 107 HD21 LEU 16 HD21 LEU 16 -4.035 2.436 5.316 108 HD22 LEU 16 HD22 LEU 16 -3.190 1.360 4.185 109 HD23 LEU 16 HD23 LEU 16 -4.115 0.668 5.516 110 H SER 17 H SER 17 -8.017 2.310 6.937 111 HA SER 17 HA SER 17 -10.777 1.199 7.123 112 HB2 SER 17 HB2 SER 17 -10.780 1.385 9.518 113 HB3 SER 17 HB3 SER 17 -9.367 0.401 9.084 114 HG SER 17 HG SER 17 -8.290 1.851 10.200 115 H TRP 18 H TRP 18 -12.218 2.857 8.303 116 HA TRP 18 HA TRP 18 -12.161 5.513 7.409 117 HB2 TRP 18 HB2 TRP 18 -13.699 5.877 9.359 118 HB3 TRP 18 HB3 TRP 18 -14.106 4.520 8.328 119 HD1 TRP 18 HD1 TRP 18 -12.877 5.288 11.857 120 HE1 TRP 18 HE1 TRP 18 -13.332 3.245 13.363 121 HE3 TRP 18 HE3 TRP 18 -14.272 1.894 8.263 122 HZ2 TRP 18 HZ2 TRP 18 -14.116 0.505 13.048 123 HZ3 TRP 18 HZ3 TRP 18 -14.849 -0.430 8.906 124 HH2 TRP 18 HH2 TRP 18 -14.800 -1.132 11.281 125 H ASN 19 H ASN 19 -10.002 4.153 9.778 126 HA ASN 19 HA ASN 19 -9.215 6.852 10.781 127 HB2 ASN 19 HB2 ASN 19 -8.568 4.033 11.749 128 HB3 ASN 19 HB3 ASN 19 -7.785 5.479 12.361 129 HD21 ASN 19 HD21 ASN 19 -8.939 3.915 14.189 130 HD22 ASN 19 HD22 ASN 19 -10.432 4.659 14.761 131 H THR 20 H THR 20 -7.993 4.158 8.748 132 HA THR 20 HA THR 20 -5.299 5.374 8.685 133 HB THR 20 HB THR 20 -5.828 3.079 6.890 134 HG1 THR 20 HG1 THR 20 -5.688 2.783 9.698 135 HG21 THR 20 HG21 THR 20 -3.553 3.930 7.165 136 HG22 THR 20 HG22 THR 20 -3.678 2.316 7.883 137 HG23 THR 20 HG23 THR 20 -3.662 3.755 8.926 138 H ASP 21 H ASP 21 -4.192 6.150 6.933 139 HA ASP 21 HA ASP 21 -5.618 6.336 4.350 140 HB2 ASP 21 HB2 ASP 21 -4.280 8.660 5.838 141 HB3 ASP 21 HB3 ASP 21 -4.828 8.751 4.165 142 H ASP 22 H ASP 22 -3.895 7.596 2.738 143 HA ASP 22 HA ASP 22 -1.951 5.663 2.170 144 HB2 ASP 22 HB2 ASP 22 -1.016 7.284 0.567 145 HB3 ASP 22 HB3 ASP 22 -2.737 7.189 0.395 146 H ARG 23 H ARG 23 -1.697 8.637 4.110 147 HA ARG 23 HA ARG 23 1.141 8.837 4.342 148 HB2 ARG 23 HB2 ARG 23 -0.490 10.588 4.997 149 HB3 ARG 23 HB3 ARG 23 -1.048 9.581 6.334 150 HG2 ARG 23 HG2 ARG 23 1.208 9.720 7.368 151 HG3 ARG 23 HG3 ARG 23 1.773 10.677 5.983 152 HD2 ARG 23 HD2 ARG 23 0.221 12.481 6.537 153 HD3 ARG 23 HD3 ARG 23 -0.483 11.509 7.847 154 HE ARG 23 HE ARG 23 2.365 11.774 8.207 155 HH11 ARG 23 HH11 ARG 23 -0.477 13.842 8.450 156 HH12 ARG 23 HH12 ARG 23 0.130 14.626 9.896 157 HH21 ARG 23 HH21 ARG 23 3.083 12.879 9.993 158 HH22 ARG 23 HH22 ARG 23 2.110 14.140 10.698 159 H GLY 24 H GLY 24 -1.179 6.823 6.129 160 HA2 GLY 24 HA2 GLY 24 0.649 5.935 8.180 161 HA3 GLY 24 HA3 GLY 24 -0.921 5.237 7.769 162 H LEU 25 H LEU 25 -0.317 4.537 4.993 163 HA LEU 25 HA LEU 25 1.418 2.206 5.482 164 HB2 LEU 25 HB2 LEU 25 0.743 1.304 3.468 165 HB3 LEU 25 HB3 LEU 25 -0.678 1.955 4.227 166 HG LEU 25 HG LEU 25 -0.071 4.069 2.613 167 HD11 LEU 25 HD11 LEU 25 1.909 3.008 1.586 168 HD12 LEU 25 HD12 LEU 25 0.610 3.135 0.391 169 HD13 LEU 25 HD13 LEU 25 0.933 1.585 1.172 170 HD21 LEU 25 HD21 LEU 25 -1.561 1.559 1.775 171 HD22 LEU 25 HD22 LEU 25 -1.689 3.148 0.987 172 HD23 LEU 25 HD23 LEU 25 -2.217 2.957 2.664 173 H GLU 26 H GLU 26 1.700 5.295 3.669 174 HA GLU 26 HA GLU 26 4.272 4.843 2.550 175 HB2 GLU 26 HB2 GLU 26 2.887 6.823 2.072 176 HB3 GLU 26 HB3 GLU 26 3.077 7.380 3.735 177 HG2 GLU 26 HG2 GLU 26 5.564 7.561 3.332 178 HG3 GLU 26 HG3 GLU 26 5.281 7.101 1.652 179 H ALA 27 H ALA 27 3.442 5.985 5.889 180 HA ALA 27 HA ALA 27 6.154 6.119 6.754 181 HB1 ALA 27 HB1 ALA 27 5.073 6.206 9.028 182 HB2 ALA 27 HB2 ALA 27 4.330 7.329 7.871 183 HB3 ALA 27 HB3 ALA 27 3.519 5.801 8.283 184 H ALA 28 H ALA 28 4.172 3.298 6.374 185 HA ALA 28 HA ALA 28 5.921 1.630 8.061 186 HB1 ALA 28 HB1 ALA 28 4.398 -0.180 7.376 187 HB2 ALA 28 HB2 ALA 28 3.511 1.204 8.039 188 HB3 ALA 28 HB3 ALA 28 3.558 0.941 6.281 189 H PHE 29 H PHE 29 5.645 2.531 4.674 190 HA PHE 29 HA PHE 29 7.582 0.438 3.813 191 HB2 PHE 29 HB2 PHE 29 5.576 2.209 2.402 192 HB3 PHE 29 HB3 PHE 29 6.880 1.455 1.520 193 HD1 PHE 29 HD2 PHE 29 4.127 0.462 3.936 194 HD2 PHE 29 HD1 PHE 29 6.533 -0.624 0.536 195 HE1 PHE 29 HE2 PHE 29 2.778 -1.589 3.639 196 HE2 PHE 29 HE1 PHE 29 5.183 -2.680 0.240 197 HZ PHE 29 HZ PHE 29 3.298 -3.165 1.791 198 H SER 30 H SER 30 7.511 3.908 4.393 199 HA SER 30 HA SER 30 9.524 4.808 2.676 200 HB2 SER 30 HB2 SER 30 7.999 6.194 4.016 201 HB3 SER 30 HB3 SER 30 8.818 5.702 5.507 202 HG SER 30 HG SER 30 9.364 7.771 4.607 203 H SER 31 H SER 31 9.912 2.857 5.535 204 HA SER 31 HA SER 31 12.696 3.304 6.087 205 HB2 SER 31 HB2 SER 31 12.347 1.156 7.404 206 HB3 SER 31 HB3 SER 31 11.260 2.501 7.803 207 HG SER 31 HG SER 31 9.945 0.783 7.564 208 H PHE 32 H PHE 32 11.159 1.539 3.526 209 HA PHE 32 HA PHE 32 13.573 -0.146 3.062 210 HB2 PHE 32 HB2 PHE 32 10.850 -0.051 1.727 211 HB3 PHE 32 HB3 PHE 32 12.186 -1.036 1.164 212 HD1 PHE 32 HD1 PHE 32 9.888 -0.499 4.070 213 HD2 PHE 32 HD2 PHE 32 12.765 -3.114 2.199 214 HE1 PHE 32 HE1 PHE 32 9.308 -2.290 5.673 215 HE2 PHE 32 HE2 PHE 32 12.167 -4.911 3.802 216 HZ PHE 32 HZ PHE 32 10.430 -4.509 5.537 217 H GLY 33 H GLY 33 11.825 2.617 1.561 218 HA2 GLY 33 HA2 GLY 33 14.207 3.611 0.306 219 HA3 GLY 33 HA3 GLY 33 13.259 2.731 -0.884 220 H GLU 34 H GLU 34 13.671 5.140 -1.592 221 HA GLU 34 HA GLU 34 11.945 7.201 -0.601 222 HB2 GLU 34 HB2 GLU 34 14.113 7.551 -1.786 223 HB3 GLU 34 HB3 GLU 34 13.372 6.957 -3.267 224 HG2 GLU 34 HG2 GLU 34 13.276 9.264 -3.518 225 HG3 GLU 34 HG3 GLU 34 11.647 8.892 -2.974 226 H ILE 35 H ILE 35 9.828 7.302 -0.783 227 HA ILE 35 HA ILE 35 8.320 5.728 -2.704 228 HB ILE 35 HB ILE 35 7.629 7.586 -0.421 229 HG12 ILE 35 HG12 ILE 35 8.422 5.332 0.166 230 HG13 ILE 35 HG13 ILE 35 6.760 5.606 0.651 231 HG21 ILE 35 HG21 ILE 35 5.829 8.056 -1.913 232 HG22 ILE 35 HG22 ILE 35 5.623 6.338 -2.321 233 HG23 ILE 35 HG23 ILE 35 5.227 6.928 -0.699 234 HD11 ILE 35 HD11 ILE 35 6.002 4.331 -1.407 235 HD12 ILE 35 HD12 ILE 35 7.699 3.928 -1.709 236 HD13 ILE 35 HD13 ILE 35 6.921 3.374 -0.220 237 H LEU 36 H LEU 36 7.166 6.291 -4.398 238 HA LEU 36 HA LEU 36 7.354 9.056 -5.518 239 HB2 LEU 36 HB2 LEU 36 6.688 6.318 -6.628 240 HB3 LEU 36 HB3 LEU 36 6.161 7.765 -7.477 241 HG LEU 36 HG LEU 36 9.076 7.303 -6.733 242 HD11 LEU 36 HD11 LEU 36 8.232 5.479 -8.191 243 HD12 LEU 36 HD12 LEU 36 9.412 6.508 -9.006 244 HD13 LEU 36 HD13 LEU 36 7.677 6.686 -9.367 245 HD21 LEU 36 HD21 LEU 36 7.662 9.134 -8.733 246 HD22 LEU 36 HD22 LEU 36 9.414 8.917 -8.647 247 HD23 LEU 36 HD23 LEU 36 8.551 9.643 -7.286 248 H ASP 37 H ASP 37 4.897 6.551 -4.633 249 HA ASP 37 HA ASP 37 3.016 8.721 -3.951 250 HB2 ASP 37 HB2 ASP 37 2.811 7.153 -6.431 251 HB3 ASP 37 HB3 ASP 37 1.454 6.826 -5.397 252 H ALA 38 H ALA 38 1.191 8.026 -2.740 253 HA ALA 38 HA ALA 38 0.774 5.203 -2.658 254 HB1 ALA 38 HB1 ALA 38 1.882 5.330 -0.532 255 HB2 ALA 38 HB2 ALA 38 1.038 6.821 -0.086 256 HB3 ALA 38 HB3 ALA 38 0.143 5.285 -0.172 257 H LYS 39 H LYS 39 -1.429 4.712 -2.514 258 HA LYS 39 HA LYS 39 -3.356 7.004 -2.823 259 HB2 LYS 39 HB2 LYS 39 -2.948 5.932 -4.978 260 HB3 LYS 39 HB3 LYS 39 -3.174 4.340 -4.284 261 HG2 LYS 39 HG2 LYS 39 -5.083 4.934 -5.626 262 HG3 LYS 39 HG3 LYS 39 -5.582 4.738 -3.958 263 HD2 LYS 39 HD2 LYS 39 -6.709 6.623 -5.034 264 HD3 LYS 39 HD3 LYS 39 -5.713 7.198 -3.694 265 HE2 LYS 39 HE2 LYS 39 -3.969 7.951 -5.243 266 HE3 LYS 39 HE3 LYS 39 -4.825 7.230 -6.613 267 HZ1 LYS 39 HZ1 LYS 39 -6.577 8.808 -6.351 268 HZ2 LYS 39 HZ2 LYS 39 -5.185 9.673 -6.361 269 HZ3 LYS 39 HZ3 LYS 39 -5.974 9.398 -4.946 270 H ILE 40 H ILE 40 -5.102 6.951 -1.563 271 HA ILE 40 HA ILE 40 -5.990 4.359 -0.402 272 HB ILE 40 HB ILE 40 -5.069 5.547 1.414 273 HG12 ILE 40 HG12 ILE 40 -7.376 4.384 1.558 274 HG13 ILE 40 HG13 ILE 40 -6.708 5.271 2.909 275 HG21 ILE 40 HG21 ILE 40 -4.977 7.833 0.698 276 HG22 ILE 40 HG22 ILE 40 -6.740 7.968 0.650 277 HG23 ILE 40 HG23 ILE 40 -5.910 7.773 2.198 278 HD11 ILE 40 HD11 ILE 40 -9.177 5.630 2.560 279 HD12 ILE 40 HD12 ILE 40 -8.247 7.131 2.555 280 HD13 ILE 40 HD13 ILE 40 -8.827 6.434 1.032 281 H ILE 41 H ILE 41 -8.042 3.831 -0.826 282 HA ILE 41 HA ILE 41 -9.726 5.864 -2.182 283 HB ILE 41 HB ILE 41 -8.572 4.616 -3.822 284 HG12 ILE 41 HG12 ILE 41 -10.421 3.765 -5.219 285 HG13 ILE 41 HG13 ILE 41 -11.527 3.893 -3.854 286 HG21 ILE 41 HG21 ILE 41 -8.446 2.415 -2.431 287 HG22 ILE 41 HG22 ILE 41 -9.990 2.040 -3.217 288 HG23 ILE 41 HG23 ILE 41 -8.536 2.372 -4.186 289 HD11 ILE 41 HD11 ILE 41 -11.246 6.333 -3.826 290 HD12 ILE 41 HD12 ILE 41 -9.990 6.227 -5.082 291 HD13 ILE 41 HD13 ILE 41 -11.673 5.800 -5.455 292 H ASN 42 H ASN 42 -11.788 5.895 -2.070 293 HA ASN 42 HA ASN 42 -13.422 4.151 -0.396 294 HB2 ASN 42 HB2 ASN 42 -14.005 5.837 1.177 295 HB3 ASN 42 HB3 ASN 42 -12.257 5.885 1.141 296 HD21 ASN 42 HD21 ASN 42 -14.284 7.870 1.978 297 HD22 ASN 42 HD22 ASN 42 -13.971 9.308 1.020 298 H ASP 43 H ASP 43 -15.824 4.818 -0.678 299 HA ASP 43 HA ASP 43 -16.236 6.558 -3.075 300 HB2 ASP 43 HB2 ASP 43 -17.642 4.491 -2.648 301 HB3 ASP 43 HB3 ASP 43 -18.420 5.395 -1.345 302 H ARG 44 H ARG 44 -15.881 8.651 -2.705 303 HA ARG 44 HA ARG 44 -16.127 9.960 -0.158 304 HB2 ARG 44 HB2 ARG 44 -15.514 11.965 -1.336 305 HB3 ARG 44 HB3 ARG 44 -14.561 10.612 -1.926 306 HG2 ARG 44 HG2 ARG 44 -16.289 10.475 -3.887 307 HG3 ARG 44 HG3 ARG 44 -16.888 12.031 -3.314 308 HD2 ARG 44 HD2 ARG 44 -15.314 12.404 -5.116 309 HD3 ARG 44 HD3 ARG 44 -14.584 12.983 -3.602 310 HE ARG 44 HE ARG 44 -13.833 10.284 -3.915 311 HH11 ARG 44 HH11 ARG 44 -13.289 12.988 -6.143 312 HH12 ARG 44 HH12 ARG 44 -11.761 12.245 -6.609 313 HH21 ARG 44 HH21 ARG 44 -11.762 9.736 -4.377 314 HH22 ARG 44 HH22 ARG 44 -10.977 10.583 -5.712 315 H GLU 45 H GLU 45 -18.586 9.236 -2.440 316 HA GLU 45 HA GLU 45 -20.449 11.339 -1.520 317 HB2 GLU 45 HB2 GLU 45 -20.499 10.328 -3.800 318 HB3 GLU 45 HB3 GLU 45 -20.951 8.775 -3.105 319 HG2 GLU 45 HG2 GLU 45 -22.548 11.340 -2.857 320 HG3 GLU 45 HG3 GLU 45 -22.835 10.103 -4.074 321 H THR 46 H THR 46 -20.085 7.800 -1.179 322 HA THR 46 HA THR 46 -22.202 7.640 0.779 323 HB THR 46 HB THR 46 -20.290 5.412 0.074 324 HG1 THR 46 HG1 THR 46 -22.255 6.688 -1.478 325 HG21 THR 46 HG21 THR 46 -22.004 4.847 1.754 326 HG22 THR 46 HG22 THR 46 -22.341 4.034 0.222 327 HG23 THR 46 HG23 THR 46 -23.280 5.468 0.682 328 H GLY 47 H GLY 47 -18.754 8.068 1.101 329 HA2 GLY 47 HA2 GLY 47 -17.495 8.477 3.005 330 HA3 GLY 47 HA3 GLY 47 -18.915 8.227 4.027 331 H ARG 48 H ARG 48 -17.555 5.982 1.615 332 HA ARG 48 HA ARG 48 -17.285 3.871 3.752 333 HB2 ARG 48 HB2 ARG 48 -19.341 3.734 2.305 334 HB3 ARG 48 HB3 ARG 48 -18.298 3.666 0.888 335 HG2 ARG 48 HG2 ARG 48 -17.268 1.542 2.272 336 HG3 ARG 48 HG3 ARG 48 -18.906 1.570 2.950 337 HD2 ARG 48 HD2 ARG 48 -19.750 1.676 0.526 338 HD3 ARG 48 HD3 ARG 48 -18.060 1.423 0.031 339 HE ARG 48 HE ARG 48 -19.176 -0.570 1.949 340 HH11 ARG 48 HH11 ARG 48 -18.823 0.056 -1.527 341 HH12 ARG 48 HH12 ARG 48 -19.047 -1.654 -1.861 342 HH21 ARG 48 HH21 ARG 48 -19.636 -2.626 1.318 343 HH22 ARG 48 HH22 ARG 48 -19.442 -3.064 -0.371 344 H SER 49 H SER 49 -15.183 3.204 3.954 345 HA SER 49 HA SER 49 -13.249 3.767 1.854 346 HB2 SER 49 HB2 SER 49 -12.668 3.913 4.285 347 HB3 SER 49 HB3 SER 49 -12.764 2.148 4.364 348 HG SER 49 HG SER 49 -10.617 3.298 3.714 349 H ARG 50 H ARG 50 -12.221 2.447 0.466 350 HA ARG 50 HA ARG 50 -13.129 -0.344 -0.045 351 HB2 ARG 50 HB2 ARG 50 -10.759 1.203 -1.182 352 HB3 ARG 50 HB3 ARG 50 -11.392 -0.330 -1.758 353 HG2 ARG 50 HG2 ARG 50 -12.842 2.346 -1.884 354 HG3 ARG 50 HG3 ARG 50 -12.008 1.577 -3.217 355 HD2 ARG 50 HD2 ARG 50 -14.461 0.466 -1.875 356 HD3 ARG 50 HD3 ARG 50 -14.356 1.380 -3.391 357 HE ARG 50 HE ARG 50 -12.893 -0.443 -4.287 358 HH11 ARG 50 HH11 ARG 50 -15.377 -1.279 -1.897 359 HH12 ARG 50 HH12 ARG 50 -15.706 -2.800 -2.699 360 HH21 ARG 50 HH21 ARG 50 -13.326 -2.476 -5.140 361 HH22 ARG 50 HH22 ARG 50 -14.724 -3.320 -4.584 362 H GLY 51 H GLY 51 -10.702 1.440 1.682 363 HA2 GLY 51 HA2 GLY 51 -9.367 0.827 3.410 364 HA3 GLY 51 HA3 GLY 51 -10.059 -0.773 3.427 365 H PHE 52 H PHE 52 -8.479 0.584 0.596 366 HA PHE 52 HA PHE 52 -5.910 -0.687 1.074 367 HB2 PHE 52 HB2 PHE 52 -5.998 -2.062 -0.987 368 HB3 PHE 52 HB3 PHE 52 -7.069 -2.615 0.256 369 HD1 PHE 52 HD1 PHE 52 -7.162 -0.450 -2.863 370 HD2 PHE 52 HD2 PHE 52 -9.206 -3.294 -0.346 371 HE1 PHE 52 HE1 PHE 52 -8.966 -0.639 -4.541 372 HE2 PHE 52 HE2 PHE 52 -10.997 -3.497 -2.044 373 HZ PHE 52 HZ PHE 52 -10.874 -2.182 -4.150 374 H GLY 53 H GLY 53 -4.591 -0.445 -1.035 375 HA2 GLY 53 HA2 GLY 53 -5.438 1.068 -3.204 376 HA3 GLY 53 HA3 GLY 53 -4.617 2.210 -2.156 377 H PHE 54 H PHE 54 -2.870 2.511 -3.541 378 HA PHE 54 HA PHE 54 -1.039 0.185 -3.816 379 HB2 PHE 54 HB2 PHE 54 -0.156 0.986 -5.900 380 HB3 PHE 54 HB3 PHE 54 -1.850 0.575 -6.016 381 HD1 PHE 54 HD2 PHE 54 0.465 3.537 -5.646 382 HD2 PHE 54 HD1 PHE 54 -3.364 2.083 -7.015 383 HE1 PHE 54 HE2 PHE 54 0.020 5.714 -6.755 384 HE2 PHE 54 HE1 PHE 54 -3.789 4.257 -8.123 385 HZ PHE 54 HZ PHE 54 -2.101 6.079 -7.992 386 H VAL 55 H VAL 55 1.145 0.563 -3.764 387 HA VAL 55 HA VAL 55 2.122 3.199 -2.806 388 HB VAL 55 HB VAL 55 1.901 1.505 -0.917 389 HG11 VAL 55 HG11 VAL 55 3.503 -0.250 -0.664 390 HG12 VAL 55 HG12 VAL 55 2.612 -0.517 -2.168 391 HG13 VAL 55 HG13 VAL 55 4.270 0.124 -2.217 392 HG21 VAL 55 HG21 VAL 55 4.030 2.076 0.083 393 HG22 VAL 55 HG22 VAL 55 4.740 2.417 -1.507 394 HG23 VAL 55 HG23 VAL 55 3.459 3.468 -0.858 395 H SER 56 H SER 56 4.071 3.851 -3.792 396 HA SER 56 HA SER 56 5.368 1.886 -5.609 397 HB2 SER 56 HB2 SER 56 5.489 3.573 -7.396 398 HB3 SER 56 HB3 SER 56 3.829 3.091 -7.005 399 HG SER 56 HG SER 56 4.102 5.372 -7.234 400 H PHE 57 H PHE 57 7.459 2.058 -6.045 401 HA PHE 57 HA PHE 57 9.046 3.895 -4.286 402 HB2 PHE 57 HB2 PHE 57 9.546 1.052 -5.222 403 HB3 PHE 57 HB3 PHE 57 10.811 2.065 -4.558 404 HD1 PHE 57 HD2 PHE 57 10.490 3.109 -2.218 405 HD2 PHE 57 HD1 PHE 57 8.203 -0.225 -3.714 406 HE1 PHE 57 HE2 PHE 57 10.030 2.372 0.112 407 HE2 PHE 57 HE1 PHE 57 7.806 -0.996 -1.388 408 HZ PHE 57 HZ PHE 57 8.743 0.296 0.527 409 H SER 58 H SER 58 10.938 4.760 -4.979 410 HA SER 58 HA SER 58 11.332 5.330 -7.803 411 HB2 SER 58 HB2 SER 58 13.211 5.785 -5.455 412 HB3 SER 58 HB3 SER 58 13.260 6.587 -7.034 413 HG SER 58 HG SER 58 11.336 6.813 -4.960 414 H ASN 59 H ASN 59 12.232 2.636 -5.900 415 HA ASN 59 HA ASN 59 14.399 1.780 -7.751 416 HB2 ASN 59 HB2 ASN 59 14.551 1.397 -4.739 417 HB3 ASN 59 HB3 ASN 59 15.814 1.173 -5.946 418 HD21 ASN 59 HD21 ASN 59 16.772 3.177 -6.868 419 HD22 ASN 59 HD22 ASN 59 16.760 4.631 -5.867 420 H GLU 60 H GLU 60 14.631 -0.543 -7.901 421 HA GLU 60 HA GLU 60 12.125 -1.947 -7.331 422 HB2 GLU 60 HB2 GLU 60 13.546 -2.080 -9.454 423 HB3 GLU 60 HB3 GLU 60 14.618 -3.152 -8.550 424 HG2 GLU 60 HG2 GLU 60 12.785 -4.719 -8.112 425 HG3 GLU 60 HG3 GLU 60 11.608 -3.607 -8.798 426 H GLN 61 H GLN 61 15.482 -2.148 -6.111 427 HA GLN 61 HA GLN 61 15.281 -4.508 -4.599 428 HB2 GLN 61 HB2 GLN 61 17.354 -3.223 -5.087 429 HB3 GLN 61 HB3 GLN 61 16.847 -1.969 -3.944 430 HG2 GLN 61 HG2 GLN 61 16.958 -3.626 -2.094 431 HG3 GLN 61 HG3 GLN 61 17.363 -4.895 -3.251 432 HE21 GLN 61 HE21 GLN 61 19.271 -5.210 -1.806 433 HE22 GLN 61 HE22 GLN 61 20.660 -4.166 -2.028 434 H ALA 62 H ALA 62 14.390 -1.184 -3.614 435 HA ALA 62 HA ALA 62 13.524 -1.751 -0.972 436 HB1 ALA 62 HB1 ALA 62 12.274 0.377 -1.216 437 HB2 ALA 62 HB2 ALA 62 13.931 0.519 -1.833 438 HB3 ALA 62 HB3 ALA 62 12.567 0.360 -2.967 439 H MET 63 H MET 63 11.671 -1.857 -4.071 440 HA MET 63 HA MET 63 9.146 -2.497 -2.858 441 HB2 MET 63 HB2 MET 63 9.518 -1.634 -5.223 442 HB3 MET 63 HB3 MET 63 10.107 -3.242 -5.651 443 HG2 MET 63 HG2 MET 63 7.853 -4.136 -4.770 444 HG3 MET 63 HG3 MET 63 7.336 -2.454 -4.684 445 HE1 MET 63 HE1 MET 63 8.117 -4.851 -8.571 446 HE2 MET 63 HE2 MET 63 9.470 -4.376 -7.529 447 HE3 MET 63 HE3 MET 63 8.236 -5.511 -6.926 448 H GLN 64 H GLN 64 11.770 -4.598 -4.150 449 HA GLN 64 HA GLN 64 10.169 -6.978 -3.730 450 HB2 GLN 64 HB2 GLN 64 13.099 -6.611 -4.443 451 HB3 GLN 64 HB3 GLN 64 12.274 -8.168 -4.336 452 HG2 GLN 64 HG2 GLN 64 11.451 -5.928 -6.249 453 HG3 GLN 64 HG3 GLN 64 12.510 -7.265 -6.670 454 HE21 GLN 64 HE21 GLN 64 10.600 -7.378 -8.371 455 HE22 GLN 64 HE22 GLN 64 9.238 -8.392 -7.892 456 H ASP 65 H ASP 65 12.898 -5.521 -1.871 457 HA ASP 65 HA ASP 65 12.924 -7.656 0.102 458 HB2 ASP 65 HB2 ASP 65 13.991 -4.809 0.064 459 HB3 ASP 65 HB3 ASP 65 14.008 -5.777 1.526 460 H ALA 66 H ALA 66 10.942 -4.710 -0.270 461 HA ALA 66 HA ALA 66 9.661 -4.971 2.305 462 HB1 ALA 66 HB1 ALA 66 7.923 -3.520 1.339 463 HB2 ALA 66 HB2 ALA 66 9.549 -2.885 1.040 464 HB3 ALA 66 HB3 ALA 66 8.659 -3.687 -0.270 465 H ILE 67 H ILE 67 8.391 -5.920 -0.955 466 HA ILE 67 HA ILE 67 6.140 -7.274 -0.050 467 HB ILE 67 HB ILE 67 7.820 -7.700 -2.532 468 HG12 ILE 67 HG12 ILE 67 5.087 -6.386 -2.098 469 HG13 ILE 67 HG13 ILE 67 6.602 -5.500 -2.140 470 HG21 ILE 67 HG21 ILE 67 5.894 -8.943 -3.514 471 HG22 ILE 67 HG22 ILE 67 6.603 -9.811 -2.175 472 HG23 ILE 67 HG23 ILE 67 5.082 -8.926 -1.933 473 HD11 ILE 67 HD11 ILE 67 5.305 -6.990 -4.445 474 HD12 ILE 67 HD12 ILE 67 5.633 -5.261 -4.287 475 HD13 ILE 67 HD13 ILE 67 6.984 -6.391 -4.488 476 H GLU 68 H GLU 68 9.374 -8.868 -0.528 477 HA GLU 68 HA GLU 68 8.402 -11.450 0.262 478 HB2 GLU 68 HB2 GLU 68 10.533 -10.828 -1.009 479 HB3 GLU 68 HB3 GLU 68 11.247 -10.436 0.546 480 HG2 GLU 68 HG2 GLU 68 11.933 -12.643 -0.159 481 HG3 GLU 68 HG3 GLU 68 10.919 -12.790 1.266 482 H GLY 69 H GLY 69 9.213 -8.684 2.259 483 HA2 GLY 69 HA2 GLY 69 9.218 -10.301 4.755 484 HA3 GLY 69 HA3 GLY 69 9.605 -8.593 4.591 485 H MET 70 H MET 70 7.135 -8.105 2.974 486 HA MET 70 HA MET 70 5.550 -7.165 5.151 487 HB2 MET 70 HB2 MET 70 5.449 -7.035 2.145 488 HB3 MET 70 HB3 MET 70 4.026 -6.501 3.013 489 HG2 MET 70 HG2 MET 70 6.875 -5.457 3.409 490 HG3 MET 70 HG3 MET 70 5.630 -4.675 2.456 491 HE1 MET 70 HE1 MET 70 6.165 -2.435 3.715 492 HE2 MET 70 HE2 MET 70 6.159 -2.244 5.480 493 HE3 MET 70 HE3 MET 70 7.396 -3.254 4.694 494 H ASN 71 H ASN 71 5.056 -10.012 3.112 495 HA ASN 71 HA ASN 71 2.296 -10.345 3.319 496 HB2 ASN 71 HB2 ASN 71 3.750 -11.808 1.995 497 HB3 ASN 71 HB3 ASN 71 4.485 -12.454 3.466 498 HD21 ASN 71 HD21 ASN 71 3.841 -14.587 2.572 499 HD22 ASN 71 HD22 ASN 71 2.197 -15.106 2.908 500 H GLY 72 H GLY 72 0.998 -10.168 4.996 501 HA2 GLY 72 HA2 GLY 72 -0.108 -10.931 6.887 502 HA3 GLY 72 HA3 GLY 72 1.252 -11.979 7.281 503 H LYS 73 H LYS 73 2.373 -8.752 6.902 504 HA LYS 73 HA LYS 73 2.756 -8.368 9.772 505 HB2 LYS 73 HB2 LYS 73 3.162 -6.523 7.373 506 HB3 LYS 73 HB3 LYS 73 3.609 -6.089 9.017 507 HG2 LYS 73 HG2 LYS 73 4.772 -8.454 7.482 508 HG3 LYS 73 HG3 LYS 73 5.532 -6.871 7.669 509 HD2 LYS 73 HD2 LYS 73 5.593 -7.172 10.131 510 HD3 LYS 73 HD3 LYS 73 4.840 -8.767 9.953 511 HE2 LYS 73 HE2 LYS 73 6.767 -9.473 8.514 512 HE3 LYS 73 HE3 LYS 73 7.556 -7.924 8.871 513 HZ1 LYS 73 HZ1 LYS 73 7.449 -8.529 11.248 514 HZ2 LYS 73 HZ2 LYS 73 8.299 -9.665 10.390 515 HZ3 LYS 73 HZ3 LYS 73 6.763 -9.973 10.867 516 H GLU 74 H GLU 74 2.121 -6.321 10.890 517 HA GLU 74 HA GLU 74 -0.791 -5.774 10.394 518 HB2 GLU 74 HB2 GLU 74 0.742 -6.105 12.983 519 HB3 GLU 74 HB3 GLU 74 -0.905 -5.461 12.886 520 HG2 GLU 74 HG2 GLU 74 -1.756 -7.514 11.930 521 HG3 GLU 74 HG3 GLU 74 -0.134 -8.176 11.731 522 H LEU 75 H LEU 75 -1.327 -3.814 9.831 523 HA LEU 75 HA LEU 75 0.329 -1.432 10.583 524 HB2 LEU 75 HB2 LEU 75 -0.947 -2.224 7.966 525 HB3 LEU 75 HB3 LEU 75 -0.925 -0.536 8.414 526 HG LEU 75 HG LEU 75 1.489 -0.469 8.540 527 HD11 LEU 75 HD11 LEU 75 1.411 -3.395 7.715 528 HD12 LEU 75 HD12 LEU 75 2.061 -2.712 9.213 529 HD13 LEU 75 HD13 LEU 75 2.861 -2.365 7.679 530 HD21 LEU 75 HD21 LEU 75 1.945 -0.790 6.120 531 HD22 LEU 75 HD22 LEU 75 0.397 0.022 6.412 532 HD23 LEU 75 HD23 LEU 75 0.428 -1.692 5.959 533 H ASP 76 H ASP 76 -0.676 0.182 11.503 534 HA ASP 76 HA ASP 76 -2.218 1.182 12.836 535 HB2 ASP 76 HB2 ASP 76 -2.474 2.074 10.480 536 HB3 ASP 76 HB3 ASP 76 -3.951 1.115 10.349 537 H GLY 77 H GLY 77 -2.369 -1.614 13.252 538 HA2 GLY 77 HA2 GLY 77 -3.593 -2.955 14.681 539 HA3 GLY 77 HA3 GLY 77 -4.947 -1.832 14.632 540 H ARG 78 H ARG 78 -3.755 -2.981 11.535 541 HA ARG 78 HA ARG 78 -5.862 -5.111 11.307 542 HB2 ARG 78 HB2 ARG 78 -5.154 -2.816 9.431 543 HB3 ARG 78 HB3 ARG 78 -6.074 -4.210 8.899 544 HG2 ARG 78 HG2 ARG 78 -7.039 -2.625 11.302 545 HG3 ARG 78 HG3 ARG 78 -7.271 -1.975 9.697 546 HD2 ARG 78 HD2 ARG 78 -8.221 -4.738 10.562 547 HD3 ARG 78 HD3 ARG 78 -9.215 -3.271 10.577 548 HE ARG 78 HE ARG 78 -8.311 -3.326 7.991 549 HH11 ARG 78 HH11 ARG 78 -10.108 -5.752 9.903 550 HH12 ARG 78 HH12 ARG 78 -10.876 -6.347 8.444 551 HH21 ARG 78 HH21 ARG 78 -9.455 -4.250 6.241 552 HH22 ARG 78 HH22 ARG 78 -10.543 -5.588 6.598 553 H SER 79 H SER 79 -5.330 -6.879 10.028 554 HA SER 79 HA SER 79 -2.459 -7.321 9.535 555 HB2 SER 79 HB2 SER 79 -3.929 -9.028 10.578 556 HB3 SER 79 HB3 SER 79 -4.791 -9.198 9.036 557 HG SER 79 HG SER 79 -3.020 -10.052 8.115 558 H ILE 80 H ILE 80 -1.405 -7.332 7.606 559 HA ILE 80 HA ILE 80 -2.931 -6.271 5.333 560 HB ILE 80 HB ILE 80 -1.080 -5.233 4.530 561 HG12 ILE 80 HG12 ILE 80 0.818 -6.882 6.236 562 HG13 ILE 80 HG13 ILE 80 0.547 -7.102 4.511 563 HG21 ILE 80 HG21 ILE 80 -0.397 -5.069 7.470 564 HG22 ILE 80 HG22 ILE 80 -0.400 -3.799 6.230 565 HG23 ILE 80 HG23 ILE 80 -1.917 -4.446 6.841 566 HD11 ILE 80 HD11 ILE 80 1.762 -4.641 5.806 567 HD12 ILE 80 HD12 ILE 80 2.557 -5.830 4.780 568 HD13 ILE 80 HD13 ILE 80 1.321 -4.768 4.085 569 H VAL 81 H VAL 81 -2.308 -6.671 3.131 570 HA VAL 81 HA VAL 81 -0.970 -9.243 2.526 571 HB VAL 81 HB VAL 81 -3.609 -8.383 1.282 572 HG11 VAL 81 HG11 VAL 81 -3.447 -10.469 -0.059 573 HG12 VAL 81 HG12 VAL 81 -2.201 -9.309 -0.502 574 HG13 VAL 81 HG13 VAL 81 -1.795 -10.713 0.518 575 HG21 VAL 81 HG21 VAL 81 -2.802 -10.858 2.875 576 HG22 VAL 81 HG22 VAL 81 -3.899 -9.570 3.413 577 HG23 VAL 81 HG23 VAL 81 -4.379 -10.622 2.082 578 H VAL 82 H VAL 82 0.351 -9.127 0.768 579 HA VAL 82 HA VAL 82 0.567 -6.517 -0.676 580 HB VAL 82 HB VAL 82 2.977 -6.925 -0.885 581 HG11 VAL 82 HG11 VAL 82 3.395 -5.712 1.096 582 HG12 VAL 82 HG12 VAL 82 1.777 -5.261 0.590 583 HG13 VAL 82 HG13 VAL 82 1.967 -6.419 1.931 584 HG21 VAL 82 HG21 VAL 82 2.594 -8.748 1.529 585 HG22 VAL 82 HG22 VAL 82 3.078 -9.306 -0.081 586 HG23 VAL 82 HG23 VAL 82 4.129 -8.222 0.813 587 H ASN 83 H ASN 83 0.526 -6.652 -2.916 588 HA ASN 83 HA ASN 83 2.128 -8.660 -4.174 589 HB2 ASN 83 HB2 ASN 83 0.596 -9.626 -5.736 590 HB3 ASN 83 HB3 ASN 83 0.078 -10.013 -4.106 591 HD21 ASN 83 HD21 ASN 83 -1.679 -10.558 -5.932 592 HD22 ASN 83 HD22 ASN 83 -2.939 -9.330 -6.042 593 H GLU 84 H GLU 84 2.423 -8.251 -6.538 594 HA GLU 84 HA GLU 84 2.821 -5.485 -7.064 595 HB2 GLU 84 HB2 GLU 84 3.516 -6.141 -9.278 596 HB3 GLU 84 HB3 GLU 84 4.170 -7.213 -8.057 597 HG2 GLU 84 HG2 GLU 84 3.569 -8.632 -9.818 598 HG3 GLU 84 HG3 GLU 84 2.316 -8.870 -8.600 599 H ALA 85 H ALA 85 1.914 -4.052 -8.620 600 HA ALA 85 HA ALA 85 -0.959 -4.541 -9.283 601 HB1 ALA 85 HB1 ALA 85 -0.715 -3.307 -7.155 602 HB2 ALA 85 HB2 ALA 85 0.209 -2.040 -8.006 603 HB3 ALA 85 HB3 ALA 85 -1.494 -2.347 -8.406 604 H GLN 86 H GLN 86 1.567 -4.572 -10.937 605 HA GLN 86 HA GLN 86 1.538 -2.111 -12.544 606 HB2 GLN 86 HB2 GLN 86 3.634 -3.026 -12.021 607 HB3 GLN 86 HB3 GLN 86 3.183 -4.649 -12.502 608 HG2 GLN 86 HG2 GLN 86 3.344 -2.363 -14.498 609 HG3 GLN 86 HG3 GLN 86 4.754 -3.309 -14.045 610 HE21 GLN 86 HE21 GLN 86 2.391 -3.123 -16.390 611 HE22 GLN 86 HE22 GLN 86 2.448 -4.808 -16.927 612 H SER 87 H SER 87 0.624 -5.589 -13.159 613 HA SER 87 HA SER 87 -0.026 -4.929 -15.932 614 HB2 SER 87 HB2 SER 87 0.828 -7.180 -15.160 615 HB3 SER 87 HB3 SER 87 -0.801 -7.480 -14.505 616 HG SER 87 HG SER 87 -0.750 -8.217 -16.631 617 H ARG 88 H ARG 88 -1.941 -5.432 -12.953 618 HA ARG 88 HA ARG 88 -4.535 -5.021 -14.235 619 HB2 ARG 88 HB2 ARG 88 -3.680 -4.616 -11.336 620 HB3 ARG 88 HB3 ARG 88 -5.340 -4.665 -11.918 621 HG2 ARG 88 HG2 ARG 88 -3.388 -7.006 -11.974 622 HG3 ARG 88 HG3 ARG 88 -4.677 -6.737 -10.822 623 HD2 ARG 88 HD2 ARG 88 -5.610 -8.296 -12.294 624 HD3 ARG 88 HD3 ARG 88 -6.313 -6.768 -12.788 625 HE ARG 88 HE ARG 88 -5.314 -7.021 -14.862 626 HH11 ARG 88 HH11 ARG 88 -3.788 -9.385 -12.757 627 HH12 ARG 88 HH12 ARG 88 -2.659 -9.874 -13.997 628 HH21 ARG 88 HH21 ARG 88 -3.860 -7.744 -16.394 629 HH22 ARG 88 HH22 ARG 88 -2.799 -9.073 -16.016 630 H GLY 89 H GLY 89 -2.142 -2.786 -12.938 631 HA2 GLY 89 HA2 GLY 89 -3.742 -0.386 -13.225 632 HA3 GLY 89 HA3 GLY 89 -1.986 -0.511 -13.067 633 H TYR 90 H TYR 90 -1.282 -1.994 -15.321 634 HA TYR 90 HA TYR 90 -1.489 -0.153 -17.502 635 HB2 TYR 90 HB2 TYR 90 0.434 -1.636 -17.019 636 HB3 TYR 90 HB3 TYR 90 -0.542 -3.044 -17.412 637 HD1 TYR 90 HD2 TYR 90 0.728 0.173 -18.865 638 HD2 TYR 90 HD1 TYR 90 -0.477 -3.886 -19.634 639 HE1 TYR 90 HE2 TYR 90 1.548 0.374 -21.213 640 HE2 TYR 90 HE1 TYR 90 0.293 -3.677 -21.988 641 HH TYR 90 HH TYR 90 1.215 -2.295 -23.585 642 H GLY 91 H GLY 91 -3.300 -3.151 -16.796 643 HA2 GLY 91 HA2 GLY 91 -5.380 -3.796 -17.509 644 HA3 GLY 91 HA3 GLY 91 -5.520 -2.313 -18.452 645 H GLY 92 H GLY 92 -2.719 -3.878 -19.420 646 HA2 GLY 92 HA2 GLY 92 -3.677 -4.478 -22.059 647 HA3 GLY 92 HA3 GLY 92 -2.078 -4.852 -21.417 Start of MODEL 2 1 H1 MET 1 H1 MET 1 10.049 -7.292 -11.736 2 H2 MET 1 H2 MET 1 11.413 -7.973 -11.127 3 H3 MET 1 H3 MET 1 9.945 -8.441 -10.552 4 HA MET 1 HA MET 1 10.823 -10.114 -11.977 5 HB2 MET 1 HB2 MET 1 8.518 -8.688 -13.339 6 HB3 MET 1 HB3 MET 1 9.026 -10.362 -13.589 7 HG2 MET 1 HG2 MET 1 7.208 -10.604 -12.187 8 HG3 MET 1 HG3 MET 1 8.564 -10.695 -11.076 9 HE1 MET 1 HE1 MET 1 5.359 -7.389 -11.397 10 HE2 MET 1 HE2 MET 1 6.337 -7.834 -12.808 11 HE3 MET 1 HE3 MET 1 5.272 -9.039 -12.049 12 H ALA 2 H ALA 2 9.727 -8.101 -14.679 13 HA ALA 2 HA ALA 2 12.492 -7.368 -15.389 14 HB1 ALA 2 HB1 ALA 2 12.101 -9.457 -16.627 15 HB2 ALA 2 HB2 ALA 2 10.576 -8.812 -17.274 16 HB3 ALA 2 HB3 ALA 2 12.126 -8.072 -17.735 17 H GLU 3 H GLU 3 11.917 -5.307 -14.719 18 HA GLU 3 HA GLU 3 9.464 -4.037 -15.690 19 HB2 GLU 3 HB2 GLU 3 11.703 -3.127 -13.858 20 HB3 GLU 3 HB3 GLU 3 10.392 -2.067 -14.381 21 HG2 GLU 3 HG2 GLU 3 9.767 -2.916 -12.260 22 HG3 GLU 3 HG3 GLU 3 8.714 -3.631 -13.468 23 H SER 4 H SER 4 9.811 -4.180 -17.906 24 HA SER 4 HA SER 4 11.791 -2.568 -19.313 25 HB2 SER 4 HB2 SER 4 10.704 -4.782 -20.033 26 HB3 SER 4 HB3 SER 4 9.269 -3.824 -20.430 27 HG SER 4 HG SER 4 10.573 -4.105 -22.214 28 H ASP 5 H ASP 5 10.559 -1.221 -21.256 29 HA ASP 5 HA ASP 5 9.981 1.221 -19.986 30 HB2 ASP 5 HB2 ASP 5 11.007 0.953 -22.216 31 HB3 ASP 5 HB3 ASP 5 9.451 0.432 -22.873 32 H GLY 6 H GLY 6 7.674 -1.252 -20.683 33 HA2 GLY 6 HA2 GLY 6 5.300 0.488 -20.602 34 HA3 GLY 6 HA3 GLY 6 5.351 -1.274 -20.653 35 H ALA 7 H ALA 7 7.353 -0.788 -18.142 36 HA ALA 7 HA ALA 7 5.115 -1.054 -16.180 37 HB1 ALA 7 HB1 ALA 7 6.538 -2.725 -15.074 38 HB2 ALA 7 HB2 ALA 7 6.201 -3.170 -16.758 39 HB3 ALA 7 HB3 ALA 7 7.785 -2.490 -16.321 40 H GLU 8 H GLU 8 5.542 -0.548 -13.949 41 HA GLU 8 HA GLU 8 7.958 1.045 -13.327 42 HB2 GLU 8 HB2 GLU 8 6.673 2.750 -12.148 43 HB3 GLU 8 HB3 GLU 8 6.302 2.732 -13.869 44 HG2 GLU 8 HG2 GLU 8 4.182 1.568 -13.449 45 HG3 GLU 8 HG3 GLU 8 4.573 1.405 -11.734 46 H TYR 9 H TYR 9 8.267 1.351 -10.926 47 HA TYR 9 HA TYR 9 7.853 -1.222 -9.578 48 HB2 TYR 9 HB2 TYR 9 9.073 1.290 -8.420 49 HB3 TYR 9 HB3 TYR 9 9.299 -0.361 -7.883 50 HD1 TYR 9 HD1 TYR 9 10.128 -1.824 -10.302 51 HD2 TYR 9 HD2 TYR 9 11.097 2.174 -9.018 52 HE1 TYR 9 HE1 TYR 9 12.244 -1.913 -11.616 53 HE2 TYR 9 HE2 TYR 9 13.215 2.079 -10.317 54 HH TYR 9 HH TYR 9 14.151 -0.784 -12.251 55 H ARG 10 H ARG 10 5.451 -1.153 -9.514 56 HA ARG 10 HA ARG 10 4.526 0.273 -7.057 57 HB2 ARG 10 HB2 ARG 10 2.506 0.987 -7.989 58 HB3 ARG 10 HB3 ARG 10 3.803 1.514 -9.059 59 HG2 ARG 10 HG2 ARG 10 3.277 -0.465 -10.558 60 HG3 ARG 10 HG3 ARG 10 1.887 -0.819 -9.525 61 HD2 ARG 10 HD2 ARG 10 2.336 1.717 -11.140 62 HD3 ARG 10 HD3 ARG 10 1.213 0.420 -11.513 63 HE ARG 10 HE ARG 10 -0.167 1.040 -9.641 64 HH11 ARG 10 HH11 ARG 10 2.272 3.555 -10.277 65 HH12 ARG 10 HH12 ARG 10 1.223 4.771 -9.613 66 HH21 ARG 10 HH21 ARG 10 -1.278 2.570 -8.760 67 HH22 ARG 10 HH22 ARG 10 -0.662 4.210 -8.565 68 H CYS 11 H CYS 11 3.023 -0.665 -5.739 69 HA CYS 11 HA CYS 11 2.105 -3.428 -6.332 70 HB2 CYS 11 HB2 CYS 11 3.030 -4.370 -4.419 71 HB3 CYS 11 HB3 CYS 11 4.319 -3.332 -5.023 72 HG CYS 11 HG CYS 11 2.123 -2.810 -2.580 73 H PHE 12 H PHE 12 0.469 -4.268 -4.922 74 HA PHE 12 HA PHE 12 -1.581 -2.281 -4.082 75 HB2 PHE 12 HB2 PHE 12 -2.310 -3.945 -5.684 76 HB3 PHE 12 HB3 PHE 12 -1.590 -5.239 -4.745 77 HD1 PHE 12 HD2 PHE 12 -4.418 -2.815 -4.860 78 HD2 PHE 12 HD1 PHE 12 -2.735 -6.268 -2.892 79 HE1 PHE 12 HE2 PHE 12 -6.600 -3.266 -3.771 80 HE2 PHE 12 HE1 PHE 12 -4.911 -6.679 -1.766 81 HZ PHE 12 HZ PHE 12 -6.849 -5.189 -2.217 82 H VAL 13 H VAL 13 -2.569 -2.392 -2.065 83 HA VAL 13 HA VAL 13 -1.505 -4.183 0.034 84 HB VAL 13 HB VAL 13 -1.540 -2.074 1.578 85 HG11 VAL 13 HG11 VAL 13 0.792 -2.592 -0.294 86 HG12 VAL 13 HG12 VAL 13 0.860 -1.758 1.274 87 HG13 VAL 13 HG13 VAL 13 0.404 -3.471 1.206 88 HG21 VAL 13 HG21 VAL 13 -0.809 -0.709 -1.056 89 HG22 VAL 13 HG22 VAL 13 -2.253 -0.382 -0.066 90 HG23 VAL 13 HG23 VAL 13 -0.642 -0.015 0.553 91 H GLY 14 H GLY 14 -3.215 -5.112 0.956 92 HA2 GLY 14 HA2 GLY 14 -5.793 -3.578 1.238 93 HA3 GLY 14 HA3 GLY 14 -5.617 -5.326 1.335 94 H SER 15 H SER 15 -6.210 -2.725 3.213 95 HA SER 15 HA SER 15 -5.934 -4.036 5.693 96 HB2 SER 15 HB2 SER 15 -4.178 -2.606 6.805 97 HB3 SER 15 HB3 SER 15 -3.536 -3.772 5.644 98 HG SER 15 HG SER 15 -2.614 -1.709 5.390 99 H LEU 16 H LEU 16 -6.032 -0.889 4.063 100 HA LEU 16 HA LEU 16 -6.313 0.782 6.205 101 HB2 LEU 16 HB2 LEU 16 -7.718 1.206 3.555 102 HB3 LEU 16 HB3 LEU 16 -7.277 2.459 4.676 103 HG LEU 16 HG LEU 16 -5.405 0.745 2.989 104 HD11 LEU 16 HD11 LEU 16 -6.304 3.653 2.943 105 HD12 LEU 16 HD12 LEU 16 -6.723 2.399 1.794 106 HD13 LEU 16 HD13 LEU 16 -5.042 2.962 1.872 107 HD21 LEU 16 HD21 LEU 16 -3.602 2.205 3.713 108 HD22 LEU 16 HD22 LEU 16 -4.288 1.396 5.128 109 HD23 LEU 16 HD23 LEU 16 -4.684 3.105 4.779 110 H SER 17 H SER 17 -7.896 1.951 7.206 111 HA SER 17 HA SER 17 -10.682 0.859 7.330 112 HB2 SER 17 HB2 SER 17 -10.633 0.849 9.687 113 HB3 SER 17 HB3 SER 17 -9.117 0.070 9.197 114 HG SER 17 HG SER 17 -8.495 1.567 10.680 115 H TRP 18 H TRP 18 -12.092 2.492 8.719 116 HA TRP 18 HA TRP 18 -12.217 5.138 7.787 117 HB2 TRP 18 HB2 TRP 18 -13.453 5.606 9.832 118 HB3 TRP 18 HB3 TRP 18 -13.943 4.074 9.144 119 HD1 TRP 18 HD1 TRP 18 -11.948 5.497 12.111 120 HE1 TRP 18 HE1 TRP 18 -11.913 3.784 14.039 121 HE3 TRP 18 HE3 TRP 18 -14.301 1.590 9.783 122 HZ2 TRP 18 HZ2 TRP 18 -12.645 1.042 14.444 123 HZ3 TRP 18 HZ3 TRP 18 -14.589 -0.579 10.954 124 HH2 TRP 18 HH2 TRP 18 -13.752 -0.872 13.277 125 H ASN 19 H ASN 19 -9.851 3.849 10.062 126 HA ASN 19 HA ASN 19 -9.007 6.499 11.037 127 HB2 ASN 19 HB2 ASN 19 -9.197 4.460 12.498 128 HB3 ASN 19 HB3 ASN 19 -7.927 3.694 11.542 129 HD21 ASN 19 HD21 ASN 19 -5.743 4.128 12.066 130 HD22 ASN 19 HD22 ASN 19 -5.345 5.365 13.269 131 H THR 20 H THR 20 -7.862 4.029 8.749 132 HA THR 20 HA THR 20 -5.185 5.168 8.590 133 HB THR 20 HB THR 20 -5.964 3.110 6.592 134 HG1 THR 20 HG1 THR 20 -5.907 2.454 9.357 135 HG21 THR 20 HG21 THR 20 -3.729 3.375 8.656 136 HG22 THR 20 HG22 THR 20 -3.610 3.654 6.914 137 HG23 THR 20 HG23 THR 20 -3.898 2.016 7.524 138 H ASP 21 H ASP 21 -4.083 5.906 6.759 139 HA ASP 21 HA ASP 21 -5.544 6.086 4.232 140 HB2 ASP 21 HB2 ASP 21 -4.007 8.460 5.461 141 HB3 ASP 21 HB3 ASP 21 -4.693 8.447 3.845 142 H ASP 22 H ASP 22 -3.690 7.360 2.658 143 HA ASP 22 HA ASP 22 -1.657 5.475 2.107 144 HB2 ASP 22 HB2 ASP 22 -0.713 7.218 0.670 145 HB3 ASP 22 HB3 ASP 22 -2.427 7.090 0.396 146 H ARG 23 H ARG 23 -1.662 8.320 4.210 147 HA ARG 23 HA ARG 23 1.150 8.704 4.374 148 HB2 ARG 23 HB2 ARG 23 -0.687 10.351 4.784 149 HB3 ARG 23 HB3 ARG 23 -1.023 9.549 6.325 150 HG2 ARG 23 HG2 ARG 23 1.219 10.158 7.148 151 HG3 ARG 23 HG3 ARG 23 1.627 10.867 5.567 152 HD2 ARG 23 HD2 ARG 23 -0.177 12.521 5.803 153 HD3 ARG 23 HD3 ARG 23 -0.712 11.746 7.305 154 HE ARG 23 HE ARG 23 2.075 12.749 7.226 155 HH11 ARG 23 HH11 ARG 23 -1.223 13.435 8.350 156 HH12 ARG 23 HH12 ARG 23 -0.599 14.350 9.712 157 HH21 ARG 23 HH21 ARG 23 2.646 14.275 8.785 158 HH22 ARG 23 HH22 ARG 23 1.404 14.831 9.905 159 H GLY 24 H GLY 24 -0.988 6.859 6.608 160 HA2 GLY 24 HA2 GLY 24 1.143 6.267 8.473 161 HA3 GLY 24 HA3 GLY 24 -0.413 5.416 8.333 162 H LEU 25 H LEU 25 0.063 4.734 5.454 163 HA LEU 25 HA LEU 25 1.923 2.473 5.777 164 HB2 LEU 25 HB2 LEU 25 0.078 3.425 3.576 165 HB3 LEU 25 HB3 LEU 25 1.370 2.275 3.231 166 HG LEU 25 HG LEU 25 0.530 0.732 4.949 167 HD11 LEU 25 HD11 LEU 25 -0.676 2.129 6.506 168 HD12 LEU 25 HD12 LEU 25 -1.834 1.018 5.778 169 HD13 LEU 25 HD13 LEU 25 -1.763 2.709 5.226 170 HD21 LEU 25 HD21 LEU 25 -0.097 0.435 2.653 171 HD22 LEU 25 HD22 LEU 25 -1.466 1.559 2.820 172 HD23 LEU 25 HD23 LEU 25 -1.471 -0.000 3.678 173 H GLU 26 H GLU 26 2.003 5.629 4.028 174 HA GLU 26 HA GLU 26 4.452 5.323 2.724 175 HB2 GLU 26 HB2 GLU 26 2.903 7.290 2.534 176 HB3 GLU 26 HB3 GLU 26 3.480 7.860 4.108 177 HG2 GLU 26 HG2 GLU 26 5.818 7.933 3.154 178 HG3 GLU 26 HG3 GLU 26 5.148 7.487 1.585 179 H ALA 27 H ALA 27 3.979 6.324 6.197 180 HA ALA 27 HA ALA 27 6.762 6.539 6.757 181 HB1 ALA 27 HB1 ALA 27 4.341 5.927 8.526 182 HB2 ALA 27 HB2 ALA 27 5.929 6.468 9.088 183 HB3 ALA 27 HB3 ALA 27 4.944 7.546 8.091 184 H ALA 28 H ALA 28 4.523 3.734 7.161 185 HA ALA 28 HA ALA 28 6.476 2.017 8.337 186 HB1 ALA 28 HB1 ALA 28 4.808 0.251 7.899 187 HB2 ALA 28 HB2 ALA 28 4.043 1.702 8.557 188 HB3 ALA 28 HB3 ALA 28 3.918 1.350 6.818 189 H PHE 29 H PHE 29 5.716 2.635 4.916 190 HA PHE 29 HA PHE 29 7.564 0.524 3.991 191 HB2 PHE 29 HB2 PHE 29 5.686 2.478 2.644 192 HB3 PHE 29 HB3 PHE 29 6.930 1.657 1.732 193 HD1 PHE 29 HD2 PHE 29 3.969 0.914 3.956 194 HD2 PHE 29 HD1 PHE 29 6.650 -0.503 0.905 195 HE1 PHE 29 HE2 PHE 29 2.506 -1.046 3.588 196 HE2 PHE 29 HE1 PHE 29 5.170 -2.463 0.520 197 HZ PHE 29 HZ PHE 29 3.099 -2.737 1.865 198 H SER 30 H SER 30 7.782 4.023 4.571 199 HA SER 30 HA SER 30 9.912 4.583 2.816 200 HB2 SER 30 HB2 SER 30 9.208 5.778 5.528 201 HB3 SER 30 HB3 SER 30 10.517 6.406 4.507 202 HG SER 30 HG SER 30 7.754 6.199 3.868 203 H SER 31 H SER 31 10.044 2.751 5.789 204 HA SER 31 HA SER 31 12.814 2.923 6.388 205 HB2 SER 31 HB2 SER 31 10.843 0.632 6.721 206 HB3 SER 31 HB3 SER 31 12.450 0.708 7.466 207 HG SER 31 HG SER 31 11.841 2.552 8.575 208 H PHE 32 H PHE 32 11.190 1.210 3.766 209 HA PHE 32 HA PHE 32 13.605 -0.385 3.119 210 HB2 PHE 32 HB2 PHE 32 10.816 -0.314 1.915 211 HB3 PHE 32 HB3 PHE 32 12.119 -1.357 1.373 212 HD1 PHE 32 HD2 PHE 32 9.710 -0.720 4.120 213 HD2 PHE 32 HD1 PHE 32 12.859 -3.292 2.672 214 HE1 PHE 32 HE2 PHE 32 9.115 -2.420 5.832 215 HE2 PHE 32 HE1 PHE 32 12.234 -5.001 4.360 216 HZ PHE 32 HZ PHE 32 10.364 -4.563 5.948 217 H GLY 33 H GLY 33 11.995 2.571 1.993 218 HA2 GLY 33 HA2 GLY 33 14.268 3.536 0.713 219 HA3 GLY 33 HA3 GLY 33 13.387 2.689 -0.554 220 H GLU 34 H GLU 34 13.594 4.923 -1.402 221 HA GLU 34 HA GLU 34 11.942 7.084 -0.391 222 HB2 GLU 34 HB2 GLU 34 13.356 6.576 -3.015 223 HB3 GLU 34 HB3 GLU 34 12.488 8.074 -2.653 224 HG2 GLU 34 HG2 GLU 34 14.033 8.672 -0.933 225 HG3 GLU 34 HG3 GLU 34 14.750 7.057 -0.908 226 H ILE 35 H ILE 35 9.771 7.049 -0.461 227 HA ILE 35 HA ILE 35 8.244 5.652 -2.530 228 HB ILE 35 HB ILE 35 7.453 7.480 -0.229 229 HG12 ILE 35 HG12 ILE 35 8.193 5.348 0.597 230 HG13 ILE 35 HG13 ILE 35 6.443 5.394 0.699 231 HG21 ILE 35 HG21 ILE 35 5.623 6.099 -2.234 232 HG22 ILE 35 HG22 ILE 35 5.090 6.724 -0.667 233 HG23 ILE 35 HG23 ILE 35 5.734 7.835 -1.862 234 HD11 ILE 35 HD11 ILE 35 8.179 3.835 -1.236 235 HD12 ILE 35 HD12 ILE 35 6.963 3.234 -0.107 236 HD13 ILE 35 HD13 ILE 35 6.455 4.121 -1.579 237 H LEU 36 H LEU 36 7.345 6.369 -4.281 238 HA LEU 36 HA LEU 36 7.664 9.228 -5.101 239 HB2 LEU 36 HB2 LEU 36 6.885 6.742 -6.679 240 HB3 LEU 36 HB3 LEU 36 6.972 8.372 -7.335 241 HG LEU 36 HG LEU 36 9.321 6.756 -6.266 242 HD11 LEU 36 HD11 LEU 36 8.393 6.015 -8.443 243 HD12 LEU 36 HD12 LEU 36 10.013 6.709 -8.618 244 HD13 LEU 36 HD13 LEU 36 8.582 7.657 -9.085 245 HD21 LEU 36 HD21 LEU 36 10.718 8.584 -7.243 246 HD22 LEU 36 HD22 LEU 36 9.766 9.133 -5.863 247 HD23 LEU 36 HD23 LEU 36 9.246 9.541 -7.518 248 H ASP 37 H ASP 37 5.172 6.763 -4.325 249 HA ASP 37 HA ASP 37 3.141 8.812 -4.010 250 HB2 ASP 37 HB2 ASP 37 3.266 7.244 -6.590 251 HB3 ASP 37 HB3 ASP 37 1.698 7.345 -5.824 252 H ALA 38 H ALA 38 1.169 7.974 -3.084 253 HA ALA 38 HA ALA 38 0.797 5.103 -3.239 254 HB1 ALA 38 HB1 ALA 38 0.153 4.972 -0.776 255 HB2 ALA 38 HB2 ALA 38 1.887 5.159 -1.101 256 HB3 ALA 38 HB3 ALA 38 0.945 6.558 -0.573 257 H LYS 39 H LYS 39 -1.391 4.493 -3.119 258 HA LYS 39 HA LYS 39 -3.317 6.757 -3.471 259 HB2 LYS 39 HB2 LYS 39 -3.119 5.327 -5.478 260 HB3 LYS 39 HB3 LYS 39 -3.610 3.932 -4.519 261 HG2 LYS 39 HG2 LYS 39 -5.504 4.744 -5.790 262 HG3 LYS 39 HG3 LYS 39 -5.834 4.999 -4.077 263 HD2 LYS 39 HD2 LYS 39 -5.150 7.406 -4.347 264 HD3 LYS 39 HD3 LYS 39 -4.849 7.129 -6.060 265 HE2 LYS 39 HE2 LYS 39 -7.543 6.810 -4.649 266 HE3 LYS 39 HE3 LYS 39 -7.007 8.269 -5.489 267 HZ1 LYS 39 HZ1 LYS 39 -8.358 6.989 -6.964 268 HZ2 LYS 39 HZ2 LYS 39 -7.513 5.626 -6.718 269 HZ3 LYS 39 HZ3 LYS 39 -6.823 6.896 -7.537 270 H ILE 40 H ILE 40 -4.899 7.008 -2.138 271 HA ILE 40 HA ILE 40 -5.759 4.806 -0.317 272 HB ILE 40 HB ILE 40 -4.775 6.535 0.946 273 HG12 ILE 40 HG12 ILE 40 -6.933 5.519 1.762 274 HG13 ILE 40 HG13 ILE 40 -6.322 6.975 2.528 275 HG21 ILE 40 HG21 ILE 40 -5.553 8.892 1.006 276 HG22 ILE 40 HG22 ILE 40 -4.735 8.460 -0.489 277 HG23 ILE 40 HG23 ILE 40 -6.504 8.597 -0.461 278 HD11 ILE 40 HD11 ILE 40 -8.658 6.972 0.589 279 HD12 ILE 40 HD12 ILE 40 -8.741 7.043 2.354 280 HD13 ILE 40 HD13 ILE 40 -7.996 8.368 1.456 281 H ILE 41 H ILE 41 -7.871 4.105 -0.621 282 HA ILE 41 HA ILE 41 -9.712 6.071 -1.886 283 HB ILE 41 HB ILE 41 -9.180 4.509 -3.575 284 HG12 ILE 41 HG12 ILE 41 -11.433 3.581 -4.099 285 HG13 ILE 41 HG13 ILE 41 -11.982 4.078 -2.494 286 HG21 ILE 41 HG21 ILE 41 -9.596 2.410 -1.476 287 HG22 ILE 41 HG22 ILE 41 -10.035 2.027 -3.138 288 HG23 ILE 41 HG23 ILE 41 -8.387 2.556 -2.752 289 HD11 ILE 41 HD11 ILE 41 -11.573 6.442 -3.066 290 HD12 ILE 41 HD12 ILE 41 -10.886 5.954 -4.635 291 HD13 ILE 41 HD13 ILE 41 -12.603 5.680 -4.285 292 H ASN 42 H ASN 42 -11.250 6.700 -0.778 293 HA ASN 42 HA ASN 42 -12.961 5.053 0.918 294 HB2 ASN 42 HB2 ASN 42 -10.833 5.867 2.261 295 HB3 ASN 42 HB3 ASN 42 -11.574 7.460 2.194 296 HD21 ASN 42 HD21 ASN 42 -10.975 5.466 4.443 297 HD22 ASN 42 HD22 ASN 42 -12.562 5.132 5.143 298 H ASP 43 H ASP 43 -15.047 6.136 1.200 299 HA ASP 43 HA ASP 43 -14.868 9.095 0.857 300 HB2 ASP 43 HB2 ASP 43 -16.379 7.933 -0.916 301 HB3 ASP 43 HB3 ASP 43 -17.519 7.780 0.429 302 H ARG 44 H ARG 44 -14.630 9.835 2.799 303 HA ARG 44 HA ARG 44 -15.813 8.796 5.220 304 HB2 ARG 44 HB2 ARG 44 -13.746 10.126 5.127 305 HB3 ARG 44 HB3 ARG 44 -14.655 11.543 4.580 306 HG2 ARG 44 HG2 ARG 44 -15.876 11.647 6.694 307 HG3 ARG 44 HG3 ARG 44 -15.170 10.105 7.222 308 HD2 ARG 44 HD2 ARG 44 -12.937 11.109 7.239 309 HD3 ARG 44 HD3 ARG 44 -13.605 12.653 6.655 310 HE ARG 44 HE ARG 44 -15.003 11.898 9.014 311 HH11 ARG 44 HH11 ARG 44 -11.699 12.832 8.269 312 HH12 ARG 44 HH12 ARG 44 -11.479 13.596 9.811 313 HH21 ARG 44 HH21 ARG 44 -14.577 12.810 11.001 314 HH22 ARG 44 HH22 ARG 44 -13.121 13.762 11.222 315 H GLU 45 H GLU 45 -16.914 11.205 2.905 316 HA GLU 45 HA GLU 45 -19.082 12.270 4.451 317 HB2 GLU 45 HB2 GLU 45 -18.040 13.399 2.574 318 HB3 GLU 45 HB3 GLU 45 -18.534 12.135 1.464 319 HG2 GLU 45 HG2 GLU 45 -20.912 12.729 1.799 320 HG3 GLU 45 HG3 GLU 45 -20.429 13.987 2.955 321 H THR 46 H THR 46 -19.064 9.666 1.954 322 HA THR 46 HA THR 46 -21.838 8.945 2.754 323 HB THR 46 HB THR 46 -22.013 7.761 0.656 324 HG1 THR 46 HG1 THR 46 -19.493 8.914 0.044 325 HG21 THR 46 HG21 THR 46 -22.040 9.682 -0.833 326 HG22 THR 46 HG22 THR 46 -20.994 10.605 0.265 327 HG23 THR 46 HG23 THR 46 -22.632 10.157 0.769 328 H GLY 47 H GLY 47 -19.148 8.013 4.076 329 HA2 GLY 47 HA2 GLY 47 -18.824 6.315 5.578 330 HA3 GLY 47 HA3 GLY 47 -20.470 5.781 5.231 331 H ARG 48 H ARG 48 -17.914 5.824 2.781 332 HA ARG 48 HA ARG 48 -17.975 2.821 2.696 333 HB2 ARG 48 HB2 ARG 48 -17.712 3.098 0.198 334 HB3 ARG 48 HB3 ARG 48 -19.297 3.441 0.891 335 HG2 ARG 48 HG2 ARG 48 -19.076 5.771 0.657 336 HG3 ARG 48 HG3 ARG 48 -17.328 5.654 0.412 337 HD2 ARG 48 HD2 ARG 48 -18.518 6.219 -1.660 338 HD3 ARG 48 HD3 ARG 48 -17.538 4.758 -1.736 339 HE ARG 48 HE ARG 48 -19.426 3.600 -2.361 340 HH11 ARG 48 HH11 ARG 48 -20.638 6.503 -0.794 341 HH12 ARG 48 HH12 ARG 48 -22.266 6.160 -1.326 342 HH21 ARG 48 HH21 ARG 48 -21.559 3.172 -2.811 343 HH22 ARG 48 HH22 ARG 48 -22.791 4.216 -2.136 344 H SER 49 H SER 49 -16.152 2.548 3.889 345 HA SER 49 HA SER 49 -13.554 3.577 2.855 346 HB2 SER 49 HB2 SER 49 -14.108 1.705 5.172 347 HB3 SER 49 HB3 SER 49 -12.539 2.392 4.721 348 HG SER 49 HG SER 49 -14.530 3.441 6.200 349 H ARG 50 H ARG 50 -13.006 2.622 0.959 350 HA ARG 50 HA ARG 50 -13.664 -0.123 0.248 351 HB2 ARG 50 HB2 ARG 50 -11.702 1.929 -0.850 352 HB3 ARG 50 HB3 ARG 50 -11.879 0.345 -1.570 353 HG2 ARG 50 HG2 ARG 50 -14.162 2.367 -1.348 354 HG3 ARG 50 HG3 ARG 50 -13.081 2.186 -2.733 355 HD2 ARG 50 HD2 ARG 50 -14.844 0.937 -3.440 356 HD3 ARG 50 HD3 ARG 50 -13.733 -0.273 -2.830 357 HE ARG 50 HE ARG 50 -15.252 -0.805 -1.100 358 HH11 ARG 50 HH11 ARG 50 -16.511 2.115 -2.712 359 HH12 ARG 50 HH12 ARG 50 -18.072 1.827 -1.961 360 HH21 ARG 50 HH21 ARG 50 -17.108 -0.823 -0.078 361 HH22 ARG 50 HH22 ARG 50 -18.346 0.399 -0.418 362 H GLY 51 H GLY 51 -10.883 1.377 1.769 363 HA2 GLY 51 HA2 GLY 51 -9.561 0.458 3.334 364 HA3 GLY 51 HA3 GLY 51 -10.399 -1.046 3.227 365 H PHE 52 H PHE 52 -8.774 0.307 0.422 366 HA PHE 52 HA PHE 52 -6.320 -1.248 0.822 367 HB2 PHE 52 HB2 PHE 52 -6.406 -2.149 -1.491 368 HB3 PHE 52 HB3 PHE 52 -7.540 -2.882 -0.404 369 HD1 PHE 52 HD2 PHE 52 -7.204 -0.437 -3.220 370 HD2 PHE 52 HD1 PHE 52 -9.916 -2.834 -0.878 371 HE1 PHE 52 HE2 PHE 52 -9.028 0.048 -4.831 372 HE2 PHE 52 HE1 PHE 52 -11.734 -2.361 -2.496 373 HZ PHE 52 HZ PHE 52 -11.302 -0.890 -4.466 374 H GLY 53 H GLY 53 -4.717 -0.718 -0.861 375 HA2 GLY 53 HA2 GLY 53 -5.006 1.873 -2.235 376 HA3 GLY 53 HA3 GLY 53 -3.852 1.807 -0.894 377 H PHE 54 H PHE 54 -2.783 2.519 -3.060 378 HA PHE 54 HA PHE 54 -1.152 0.193 -3.931 379 HB2 PHE 54 HB2 PHE 54 -1.740 2.657 -5.601 380 HB3 PHE 54 HB3 PHE 54 -0.627 1.366 -6.027 381 HD1 PHE 54 HD1 PHE 54 -1.640 -1.085 -6.044 382 HD2 PHE 54 HD2 PHE 54 -3.949 2.530 -6.484 383 HE1 PHE 54 HE1 PHE 54 -3.433 -2.364 -7.200 384 HE2 PHE 54 HE2 PHE 54 -5.729 1.250 -7.633 385 HZ PHE 54 HZ PHE 54 -5.482 -1.196 -7.989 386 H VAL 55 H VAL 55 1.131 0.637 -4.169 387 HA VAL 55 HA VAL 55 2.158 3.213 -3.049 388 HB VAL 55 HB VAL 55 3.219 0.462 -2.279 389 HG11 VAL 55 HG11 VAL 55 5.025 2.117 -2.362 390 HG12 VAL 55 HG12 VAL 55 4.053 3.262 -1.403 391 HG13 VAL 55 HG13 VAL 55 4.640 1.744 -0.686 392 HG21 VAL 55 HG21 VAL 55 1.716 2.511 -0.594 393 HG22 VAL 55 HG22 VAL 55 1.139 0.896 -1.055 394 HG23 VAL 55 HG23 VAL 55 2.517 1.050 0.032 395 H SER 56 H SER 56 3.928 4.005 -4.166 396 HA SER 56 HA SER 56 5.192 2.267 -6.238 397 HB2 SER 56 HB2 SER 56 3.658 3.724 -7.387 398 HB3 SER 56 HB3 SER 56 4.324 5.133 -6.554 399 HG SER 56 HG SER 56 5.186 4.906 -8.657 400 H PHE 57 H PHE 57 7.281 2.369 -6.504 401 HA PHE 57 HA PHE 57 8.883 3.682 -4.356 402 HB2 PHE 57 HB2 PHE 57 9.314 1.085 -5.882 403 HB3 PHE 57 HB3 PHE 57 10.352 1.699 -4.614 404 HD1 PHE 57 HD1 PHE 57 6.965 0.313 -5.333 405 HD2 PHE 57 HD2 PHE 57 9.837 1.344 -2.287 406 HE1 PHE 57 HE1 PHE 57 5.616 -0.903 -3.658 407 HE2 PHE 57 HE2 PHE 57 8.509 0.075 -0.617 408 HZ PHE 57 HZ PHE 57 6.385 -1.048 -1.309 409 H SER 58 H SER 58 11.090 4.201 -4.800 410 HA SER 58 HA SER 58 11.581 5.332 -7.484 411 HB2 SER 58 HB2 SER 58 13.357 5.332 -5.022 412 HB3 SER 58 HB3 SER 58 13.590 6.282 -6.497 413 HG SER 58 HG SER 58 11.437 6.467 -4.644 414 H ASN 59 H ASN 59 12.573 2.478 -5.636 415 HA ASN 59 HA ASN 59 14.462 1.697 -7.816 416 HB2 ASN 59 HB2 ASN 59 15.004 1.618 -4.820 417 HB3 ASN 59 HB3 ASN 59 16.059 0.952 -6.060 418 HD21 ASN 59 HD21 ASN 59 17.225 2.419 -7.496 419 HD22 ASN 59 HD22 ASN 59 17.419 4.092 -7.044 420 H GLU 60 H GLU 60 14.944 -0.463 -8.030 421 HA GLU 60 HA GLU 60 12.662 -2.132 -8.044 422 HB2 GLU 60 HB2 GLU 60 14.571 -1.963 -9.681 423 HB3 GLU 60 HB3 GLU 60 15.573 -2.877 -8.550 424 HG2 GLU 60 HG2 GLU 60 13.961 -4.780 -8.738 425 HG3 GLU 60 HG3 GLU 60 13.032 -3.849 -9.917 426 H GLN 61 H GLN 61 15.625 -2.415 -5.973 427 HA GLN 61 HA GLN 61 14.779 -4.845 -4.657 428 HB2 GLN 61 HB2 GLN 61 16.692 -2.612 -3.897 429 HB3 GLN 61 HB3 GLN 61 16.414 -4.022 -2.864 430 HG2 GLN 61 HG2 GLN 61 17.202 -5.551 -4.558 431 HG3 GLN 61 HG3 GLN 61 17.374 -4.255 -5.739 432 HE21 GLN 61 HE21 GLN 61 19.530 -6.057 -4.815 433 HE22 GLN 61 HE22 GLN 61 20.681 -5.049 -3.981 434 H ALA 62 H ALA 62 14.144 -1.404 -3.901 435 HA ALA 62 HA ALA 62 13.250 -1.803 -1.224 436 HB1 ALA 62 HB1 ALA 62 12.560 0.399 -3.228 437 HB2 ALA 62 HB2 ALA 62 12.324 0.476 -1.472 438 HB3 ALA 62 HB3 ALA 62 13.965 0.378 -2.134 439 H MET 63 H MET 63 11.446 -1.792 -4.305 440 HA MET 63 HA MET 63 8.824 -2.202 -3.245 441 HB2 MET 63 HB2 MET 63 9.348 -1.525 -5.570 442 HB3 MET 63 HB3 MET 63 10.104 -3.095 -5.857 443 HG2 MET 63 HG2 MET 63 7.911 -4.207 -5.486 444 HG3 MET 63 HG3 MET 63 7.173 -2.631 -5.182 445 HE1 MET 63 HE1 MET 63 9.183 -4.734 -7.766 446 HE2 MET 63 HE2 MET 63 8.800 -3.961 -9.319 447 HE3 MET 63 HE3 MET 63 9.866 -3.145 -8.156 448 H GLN 64 H GLN 64 11.422 -4.542 -4.046 449 HA GLN 64 HA GLN 64 9.695 -6.868 -3.744 450 HB2 GLN 64 HB2 GLN 64 12.703 -6.525 -4.028 451 HB3 GLN 64 HB3 GLN 64 11.916 -8.098 -3.826 452 HG2 GLN 64 HG2 GLN 64 10.719 -7.896 -5.894 453 HG3 GLN 64 HG3 GLN 64 11.171 -6.194 -6.081 454 HE21 GLN 64 HE21 GLN 64 13.339 -5.654 -6.638 455 HE22 GLN 64 HE22 GLN 64 14.460 -6.854 -7.291 456 H ASP 65 H ASP 65 12.374 -5.494 -1.745 457 HA ASP 65 HA ASP 65 12.083 -7.550 0.273 458 HB2 ASP 65 HB2 ASP 65 13.597 -4.925 0.178 459 HB3 ASP 65 HB3 ASP 65 13.585 -5.958 1.611 460 H ALA 66 H ALA 66 10.463 -4.477 -0.187 461 HA ALA 66 HA ALA 66 9.306 -4.345 2.463 462 HB1 ALA 66 HB1 ALA 66 9.283 -2.413 0.965 463 HB2 ALA 66 HB2 ALA 66 8.292 -3.293 -0.217 464 HB3 ALA 66 HB3 ALA 66 7.630 -2.890 1.388 465 H ILE 67 H ILE 67 7.815 -5.511 -0.623 466 HA ILE 67 HA ILE 67 5.627 -6.904 0.407 467 HB ILE 67 HB ILE 67 7.366 -7.509 -1.998 468 HG12 ILE 67 HG12 ILE 67 4.656 -6.111 -1.856 469 HG13 ILE 67 HG13 ILE 67 6.192 -5.265 -1.904 470 HG21 ILE 67 HG21 ILE 67 6.109 -9.562 -1.459 471 HG22 ILE 67 HG22 ILE 67 4.598 -8.636 -1.360 472 HG23 ILE 67 HG23 ILE 67 5.452 -8.825 -2.899 473 HD11 ILE 67 HD11 ILE 67 6.701 -6.434 -4.102 474 HD12 ILE 67 HD12 ILE 67 5.007 -6.988 -4.105 475 HD13 ILE 67 HD13 ILE 67 5.378 -5.260 -4.126 476 H GLU 68 H GLU 68 8.942 -8.226 -0.037 477 HA GLU 68 HA GLU 68 8.395 -10.849 0.875 478 HB2 GLU 68 HB2 GLU 68 10.323 -9.964 -0.466 479 HB3 GLU 68 HB3 GLU 68 11.019 -9.328 1.028 480 HG2 GLU 68 HG2 GLU 68 11.295 -11.588 1.895 481 HG3 GLU 68 HG3 GLU 68 10.387 -12.268 0.530 482 H GLY 69 H GLY 69 8.876 -7.940 2.819 483 HA2 GLY 69 HA2 GLY 69 8.947 -9.529 5.359 484 HA3 GLY 69 HA3 GLY 69 9.190 -7.794 5.185 485 H MET 70 H MET 70 6.831 -7.370 3.499 486 HA MET 70 HA MET 70 4.988 -6.664 5.527 487 HB2 MET 70 HB2 MET 70 4.994 -6.671 2.514 488 HB3 MET 70 HB3 MET 70 3.506 -6.228 3.335 489 HG2 MET 70 HG2 MET 70 6.231 -4.947 3.871 490 HG3 MET 70 HG3 MET 70 5.081 -4.321 2.707 491 HE1 MET 70 HE1 MET 70 6.542 -2.992 5.494 492 HE2 MET 70 HE2 MET 70 5.731 -2.082 4.201 493 HE3 MET 70 HE3 MET 70 5.231 -1.859 5.892 494 H ASN 71 H ASN 71 5.024 -9.581 3.564 495 HA ASN 71 HA ASN 71 2.290 -10.175 3.560 496 HB2 ASN 71 HB2 ASN 71 2.993 -12.520 3.160 497 HB3 ASN 71 HB3 ASN 71 3.709 -11.332 2.086 498 HD21 ASN 71 HD21 ASN 71 6.015 -10.794 2.360 499 HD22 ASN 71 HD22 ASN 71 7.047 -11.917 3.225 500 H GLY 72 H GLY 72 1.015 -10.015 5.243 501 HA2 GLY 72 HA2 GLY 72 -0.168 -11.003 6.996 502 HA3 GLY 72 HA3 GLY 72 1.206 -12.033 7.384 503 H LYS 73 H LYS 73 2.194 -8.723 7.213 504 HA LYS 73 HA LYS 73 2.560 -8.523 10.106 505 HB2 LYS 73 HB2 LYS 73 3.119 -6.761 7.721 506 HB3 LYS 73 HB3 LYS 73 2.972 -5.979 9.288 507 HG2 LYS 73 HG2 LYS 73 4.713 -7.400 10.250 508 HG3 LYS 73 HG3 LYS 73 4.900 -8.258 8.705 509 HD2 LYS 73 HD2 LYS 73 5.641 -6.235 7.598 510 HD3 LYS 73 HD3 LYS 73 5.290 -5.233 9.008 511 HE2 LYS 73 HE2 LYS 73 7.194 -7.552 9.342 512 HE3 LYS 73 HE3 LYS 73 7.755 -6.167 8.412 513 HZ1 LYS 73 HZ1 LYS 73 8.291 -5.981 10.775 514 HZ2 LYS 73 HZ2 LYS 73 6.720 -5.954 11.186 515 HZ3 LYS 73 HZ3 LYS 73 7.343 -4.724 10.285 516 H GLU 74 H GLU 74 1.666 -7.088 11.560 517 HA GLU 74 HA GLU 74 -1.035 -6.000 11.005 518 HB2 GLU 74 HB2 GLU 74 0.719 -5.904 13.487 519 HB3 GLU 74 HB3 GLU 74 -0.880 -5.165 13.347 520 HG2 GLU 74 HG2 GLU 74 -1.907 -7.362 12.960 521 HG3 GLU 74 HG3 GLU 74 -0.327 -8.143 13.083 522 H LEU 75 H LEU 75 -1.268 -4.054 10.070 523 HA LEU 75 HA LEU 75 0.551 -1.791 10.763 524 HB2 LEU 75 HB2 LEU 75 0.084 -2.980 8.119 525 HB3 LEU 75 HB3 LEU 75 -0.506 -1.331 8.170 526 HG LEU 75 HG LEU 75 1.691 -0.491 8.847 527 HD11 LEU 75 HD11 LEU 75 2.573 -3.407 8.710 528 HD12 LEU 75 HD12 LEU 75 2.693 -2.302 10.099 529 HD13 LEU 75 HD13 LEU 75 3.694 -2.026 8.681 530 HD21 LEU 75 HD21 LEU 75 2.844 -0.919 6.738 531 HD22 LEU 75 HD22 LEU 75 1.101 -0.813 6.443 532 HD23 LEU 75 HD23 LEU 75 1.906 -2.399 6.482 533 H ASP 76 H ASP 76 -0.526 -0.061 11.512 534 HA ASP 76 HA ASP 76 -2.157 1.139 12.452 535 HB2 ASP 76 HB2 ASP 76 -2.687 1.459 9.939 536 HB3 ASP 76 HB3 ASP 76 -4.090 0.438 10.224 537 H GLY 77 H GLY 77 -1.940 -1.802 13.031 538 HA2 GLY 77 HA2 GLY 77 -2.923 -3.280 14.492 539 HA3 GLY 77 HA3 GLY 77 -4.317 -2.215 14.680 540 H ARG 78 H ARG 78 -3.737 -2.818 11.371 541 HA ARG 78 HA ARG 78 -5.812 -4.985 11.197 542 HB2 ARG 78 HB2 ARG 78 -5.019 -2.744 9.287 543 HB3 ARG 78 HB3 ARG 78 -6.127 -4.040 8.861 544 HG2 ARG 78 HG2 ARG 78 -6.760 -2.485 11.360 545 HG3 ARG 78 HG3 ARG 78 -6.924 -1.626 9.841 546 HD2 ARG 78 HD2 ARG 78 -8.207 -4.354 10.218 547 HD3 ARG 78 HD3 ARG 78 -8.984 -2.874 10.808 548 HE ARG 78 HE ARG 78 -8.107 -2.612 8.056 549 HH11 ARG 78 HH11 ARG 78 -10.759 -4.206 9.763 550 HH12 ARG 78 HH12 ARG 78 -11.906 -3.618 8.553 551 HH21 ARG 78 HH21 ARG 78 -9.692 -2.046 6.586 552 HH22 ARG 78 HH22 ARG 78 -11.326 -2.657 6.857 553 H SER 79 H SER 79 -5.453 -6.669 9.648 554 HA SER 79 HA SER 79 -2.591 -7.342 9.350 555 HB2 SER 79 HB2 SER 79 -5.140 -8.867 8.771 556 HB3 SER 79 HB3 SER 79 -3.512 -9.487 8.414 557 HG SER 79 HG SER 79 -3.062 -9.681 10.450 558 H ILE 80 H ILE 80 -1.402 -7.195 7.553 559 HA ILE 80 HA ILE 80 -2.738 -6.102 5.158 560 HB ILE 80 HB ILE 80 -0.946 -4.844 6.402 561 HG12 ILE 80 HG12 ILE 80 -0.488 -5.186 3.409 562 HG13 ILE 80 HG13 ILE 80 -1.843 -4.303 4.114 563 HG21 ILE 80 HG21 ILE 80 1.374 -5.303 5.966 564 HG22 ILE 80 HG22 ILE 80 0.661 -6.813 6.535 565 HG23 ILE 80 HG23 ILE 80 0.971 -6.587 4.809 566 HD11 ILE 80 HD11 ILE 80 -0.236 -2.792 5.287 567 HD12 ILE 80 HD12 ILE 80 1.094 -3.588 4.405 568 HD13 ILE 80 HD13 ILE 80 -0.160 -2.703 3.524 569 H VAL 81 H VAL 81 -2.329 -6.704 3.090 570 HA VAL 81 HA VAL 81 -0.950 -9.295 2.548 571 HB VAL 81 HB VAL 81 -3.668 -8.451 1.454 572 HG11 VAL 81 HG11 VAL 81 -1.939 -10.870 0.755 573 HG12 VAL 81 HG12 VAL 81 -3.622 -10.628 0.250 574 HG13 VAL 81 HG13 VAL 81 -2.378 -9.535 -0.340 575 HG21 VAL 81 HG21 VAL 81 -2.803 -10.822 3.169 576 HG22 VAL 81 HG22 VAL 81 -3.826 -9.460 3.694 577 HG23 VAL 81 HG23 VAL 81 -4.422 -10.596 2.484 578 H VAL 82 H VAL 82 0.246 -9.293 0.682 579 HA VAL 82 HA VAL 82 0.515 -6.658 -0.711 580 HB VAL 82 HB VAL 82 2.983 -7.046 -0.630 581 HG11 VAL 82 HG11 VAL 82 3.117 -5.668 1.269 582 HG12 VAL 82 HG12 VAL 82 1.575 -5.301 0.532 583 HG13 VAL 82 HG13 VAL 82 1.608 -6.339 1.978 584 HG21 VAL 82 HG21 VAL 82 3.879 -8.203 1.306 585 HG22 VAL 82 HG22 VAL 82 2.261 -8.670 1.850 586 HG23 VAL 82 HG23 VAL 82 2.943 -9.363 0.368 587 H ASN 83 H ASN 83 0.698 -6.732 -2.879 588 HA ASN 83 HA ASN 83 2.331 -8.753 -4.181 589 HB2 ASN 83 HB2 ASN 83 0.631 -9.398 -5.880 590 HB3 ASN 83 HB3 ASN 83 0.285 -10.011 -4.268 591 HD21 ASN 83 HD21 ASN 83 -0.692 -7.435 -6.608 592 HD22 ASN 83 HD22 ASN 83 -2.330 -7.381 -5.975 593 H GLU 84 H GLU 84 2.945 -8.146 -6.380 594 HA GLU 84 HA GLU 84 3.108 -5.364 -6.930 595 HB2 GLU 84 HB2 GLU 84 3.951 -5.978 -9.113 596 HB3 GLU 84 HB3 GLU 84 4.642 -6.945 -7.838 597 HG2 GLU 84 HG2 GLU 84 4.271 -8.571 -9.424 598 HG3 GLU 84 HG3 GLU 84 2.817 -8.724 -8.442 599 H ALA 85 H ALA 85 2.194 -4.063 -8.536 600 HA ALA 85 HA ALA 85 -0.551 -4.778 -9.446 601 HB1 ALA 85 HB1 ALA 85 -0.692 -3.506 -7.350 602 HB2 ALA 85 HB2 ALA 85 0.285 -2.196 -8.061 603 HB3 ALA 85 HB3 ALA 85 -1.325 -2.569 -8.711 604 H GLN 86 H GLN 86 2.047 -4.699 -10.946 605 HA GLN 86 HA GLN 86 2.380 -2.228 -12.343 606 HB2 GLN 86 HB2 GLN 86 3.083 -5.057 -13.222 607 HB3 GLN 86 HB3 GLN 86 3.701 -3.563 -13.933 608 HG2 GLN 86 HG2 GLN 86 4.726 -2.968 -11.729 609 HG3 GLN 86 HG3 GLN 86 4.183 -4.512 -11.074 610 HE21 GLN 86 HE21 GLN 86 6.679 -4.536 -10.700 611 HE22 GLN 86 HE22 GLN 86 7.598 -5.325 -11.984 612 H SER 87 H SER 87 0.169 -4.917 -12.923 613 HA SER 87 HA SER 87 -0.682 -4.326 -15.575 614 HB2 SER 87 HB2 SER 87 -1.145 -6.420 -14.316 615 HB3 SER 87 HB3 SER 87 -2.248 -5.519 -13.257 616 HG SER 87 HG SER 87 -3.361 -6.564 -14.913 617 H ARG 88 H ARG 88 -1.598 -2.786 -12.484 618 HA ARG 88 HA ARG 88 -4.087 -1.667 -13.547 619 HB2 ARG 88 HB2 ARG 88 -2.618 -1.004 -10.967 620 HB3 ARG 88 HB3 ARG 88 -4.315 -0.696 -11.320 621 HG2 ARG 88 HG2 ARG 88 -3.001 -3.393 -10.831 622 HG3 ARG 88 HG3 ARG 88 -4.122 -2.521 -9.800 623 HD2 ARG 88 HD2 ARG 88 -5.622 -2.732 -12.102 624 HD3 ARG 88 HD3 ARG 88 -4.652 -4.196 -12.209 625 HE ARG 88 HE ARG 88 -5.625 -5.011 -10.185 626 HH11 ARG 88 HH11 ARG 88 -7.190 -1.921 -11.084 627 HH12 ARG 88 HH12 ARG 88 -8.339 -2.148 -9.767 628 HH21 ARG 88 HH21 ARG 88 -7.213 -5.069 -8.598 629 HH22 ARG 88 HH22 ARG 88 -8.377 -3.757 -8.548 630 H GLY 89 H GLY 89 -1.051 -0.673 -14.228 631 HA2 GLY 89 HA2 GLY 89 -0.805 1.885 -13.180 632 HA3 GLY 89 HA3 GLY 89 0.068 1.293 -14.592 633 H TYR 90 H TYR 90 -2.770 1.151 -16.036 634 HA TYR 90 HA TYR 90 -2.509 3.959 -16.994 635 HB2 TYR 90 HB2 TYR 90 -3.702 1.516 -18.338 636 HB3 TYR 90 HB3 TYR 90 -3.563 3.114 -19.048 637 HD1 TYR 90 HD1 TYR 90 -0.909 4.072 -18.546 638 HD2 TYR 90 HD2 TYR 90 -2.223 0.063 -19.457 639 HE1 TYR 90 HE1 TYR 90 1.304 3.561 -19.485 640 HE2 TYR 90 HE2 TYR 90 0.028 -0.451 -20.394 641 HH TYR 90 HH TYR 90 2.670 1.984 -20.399 642 H GLY 91 H GLY 91 -4.917 1.875 -15.490 643 HA2 GLY 91 HA2 GLY 91 -7.255 3.264 -16.378 644 HA3 GLY 91 HA3 GLY 91 -7.130 2.247 -14.939 645 H GLY 92 H GLY 92 -5.519 3.510 -13.269 646 HA2 GLY 92 HA2 GLY 92 -5.639 6.291 -12.811 647 HA3 GLY 92 HA3 GLY 92 -7.087 5.570 -12.081 Start of MODEL 3 1 H1 MET 1 H1 MET 1 11.995 -9.946 -11.417 2 H2 MET 1 H2 MET 1 10.992 -9.388 -10.252 3 H3 MET 1 H3 MET 1 12.639 -9.250 -10.087 4 HA MET 1 HA MET 1 11.014 -7.907 -12.147 5 HB2 MET 1 HB2 MET 1 12.163 -6.835 -9.544 6 HB3 MET 1 HB3 MET 1 11.858 -5.798 -10.917 7 HG2 MET 1 HG2 MET 1 9.470 -6.704 -10.946 8 HG3 MET 1 HG3 MET 1 9.812 -7.354 -9.334 9 HE1 MET 1 HE1 MET 1 7.467 -5.382 -10.208 10 HE2 MET 1 HE2 MET 1 7.637 -5.938 -8.527 11 HE3 MET 1 HE3 MET 1 7.439 -4.207 -8.873 12 H ALA 2 H ALA 2 12.091 -7.201 -13.836 13 HA ALA 2 HA ALA 2 14.613 -5.833 -13.327 14 HB1 ALA 2 HB1 ALA 2 15.630 -6.624 -15.456 15 HB2 ALA 2 HB2 ALA 2 15.439 -7.948 -14.287 16 HB3 ALA 2 HB3 ALA 2 14.305 -7.795 -15.642 17 H GLU 3 H GLU 3 13.432 -3.937 -13.373 18 HA GLU 3 HA GLU 3 11.511 -3.518 -15.610 19 HB2 GLU 3 HB2 GLU 3 11.544 -2.343 -12.844 20 HB3 GLU 3 HB3 GLU 3 10.296 -2.067 -14.061 21 HG2 GLU 3 HG2 GLU 3 10.937 -4.526 -12.431 22 HG3 GLU 3 HG3 GLU 3 9.402 -3.694 -12.588 23 H SER 4 H SER 4 12.447 -2.584 -17.120 24 HA SER 4 HA SER 4 14.386 -0.456 -17.104 25 HB2 SER 4 HB2 SER 4 12.573 -1.380 -19.358 26 HB3 SER 4 HB3 SER 4 14.117 -0.522 -19.505 27 HG SER 4 HG SER 4 13.557 -3.181 -18.780 28 H ASP 5 H ASP 5 13.676 1.503 -18.876 29 HA ASP 5 HA ASP 5 12.626 3.271 -16.969 30 HB2 ASP 5 HB2 ASP 5 12.944 3.706 -19.936 31 HB3 ASP 5 HB3 ASP 5 12.690 4.975 -18.751 32 H GLY 6 H GLY 6 10.814 1.789 -19.676 33 HA2 GLY 6 HA2 GLY 6 8.455 3.470 -19.309 34 HA3 GLY 6 HA3 GLY 6 8.585 2.014 -20.295 35 H ALA 7 H ALA 7 9.651 0.724 -17.608 36 HA ALA 7 HA ALA 7 6.988 -0.216 -16.706 37 HB1 ALA 7 HB1 ALA 7 8.246 -2.150 -15.862 38 HB2 ALA 7 HB2 ALA 7 8.564 -1.877 -17.583 39 HB3 ALA 7 HB3 ALA 7 9.771 -1.395 -16.372 40 H GLU 8 H GLU 8 6.888 -0.852 -14.329 41 HA GLU 8 HA GLU 8 8.107 1.212 -12.594 42 HB2 GLU 8 HB2 GLU 8 5.841 1.844 -11.759 43 HB3 GLU 8 HB3 GLU 8 6.153 2.293 -13.442 44 HG2 GLU 8 HG2 GLU 8 4.844 0.348 -14.226 45 HG3 GLU 8 HG3 GLU 8 4.520 -0.115 -12.558 46 H TYR 9 H TYR 9 7.933 0.950 -10.341 47 HA TYR 9 HA TYR 9 7.571 -1.902 -9.535 48 HB2 TYR 9 HB2 TYR 9 9.301 -0.472 -7.730 49 HB3 TYR 9 HB3 TYR 9 9.568 -1.935 -8.631 50 HD1 TYR 9 HD1 TYR 9 9.990 -1.389 -11.336 51 HD2 TYR 9 HD2 TYR 9 10.919 1.157 -7.989 52 HE1 TYR 9 HE1 TYR 9 11.607 -0.104 -12.750 53 HE2 TYR 9 HE2 TYR 9 12.554 2.388 -9.388 54 HH TYR 9 HH TYR 9 13.592 2.555 -11.426 55 H ARG 10 H ARG 10 5.389 -1.502 -9.276 56 HA ARG 10 HA ARG 10 4.646 -0.138 -6.743 57 HB2 ARG 10 HB2 ARG 10 2.585 0.691 -7.708 58 HB3 ARG 10 HB3 ARG 10 4.006 1.358 -8.511 59 HG2 ARG 10 HG2 ARG 10 3.664 -0.008 -10.463 60 HG3 ARG 10 HG3 ARG 10 2.455 -0.995 -9.661 61 HD2 ARG 10 HD2 ARG 10 1.454 0.640 -11.246 62 HD3 ARG 10 HD3 ARG 10 0.859 0.760 -9.599 63 HE ARG 10 HE ARG 10 2.772 2.660 -10.932 64 HH11 ARG 10 HH11 ARG 10 -0.070 2.345 -8.896 65 HH12 ARG 10 HH12 ARG 10 0.204 3.887 -8.114 66 HH21 ARG 10 HH21 ARG 10 3.071 4.652 -9.827 67 HH22 ARG 10 HH22 ARG 10 1.711 5.241 -8.912 68 H CYS 11 H CYS 11 2.719 -0.904 -5.705 69 HA CYS 11 HA CYS 11 1.716 -3.587 -6.459 70 HB2 CYS 11 HB2 CYS 11 2.429 -4.615 -4.372 71 HB3 CYS 11 HB3 CYS 11 3.816 -3.977 -5.243 72 HG CYS 11 HG CYS 11 3.714 -1.556 -3.945 73 H PHE 12 H PHE 12 -0.026 -4.364 -5.211 74 HA PHE 12 HA PHE 12 -1.936 -2.397 -4.148 75 HB2 PHE 12 HB2 PHE 12 -1.911 -5.434 -4.423 76 HB3 PHE 12 HB3 PHE 12 -3.184 -4.564 -3.606 77 HD1 PHE 12 HD2 PHE 12 -1.619 -5.141 -6.928 78 HD2 PHE 12 HD1 PHE 12 -4.980 -3.521 -4.766 79 HE1 PHE 12 HE2 PHE 12 -2.930 -5.040 -9.036 80 HE2 PHE 12 HE1 PHE 12 -6.291 -3.438 -6.871 81 HZ PHE 12 HZ PHE 12 -5.277 -4.208 -9.005 82 H VAL 13 H VAL 13 -2.528 -2.220 -2.057 83 HA VAL 13 HA VAL 13 -1.583 -4.121 0.003 84 HB VAL 13 HB VAL 13 -1.558 -2.098 1.620 85 HG11 VAL 13 HG11 VAL 13 0.789 -2.517 -0.250 86 HG12 VAL 13 HG12 VAL 13 0.841 -1.755 1.361 87 HG13 VAL 13 HG13 VAL 13 0.388 -3.475 1.197 88 HG21 VAL 13 HG21 VAL 13 -2.284 -0.329 0.098 89 HG22 VAL 13 HG22 VAL 13 -0.666 -0.007 0.740 90 HG23 VAL 13 HG23 VAL 13 -0.848 -0.587 -0.922 91 H GLY 14 H GLY 14 -3.180 -4.575 1.535 92 HA2 GLY 14 HA2 GLY 14 -5.470 -2.725 1.772 93 HA3 GLY 14 HA3 GLY 14 -5.856 -4.349 1.259 94 H SER 15 H SER 15 -6.068 -2.461 3.725 95 HA SER 15 HA SER 15 -6.110 -4.260 5.939 96 HB2 SER 15 HB2 SER 15 -4.199 -3.195 7.258 97 HB3 SER 15 HB3 SER 15 -3.700 -4.289 5.962 98 HG SER 15 HG SER 15 -2.621 -2.178 6.159 99 H LEU 16 H LEU 16 -6.263 -1.039 4.619 100 HA LEU 16 HA LEU 16 -6.153 0.497 6.989 101 HB2 LEU 16 HB2 LEU 16 -7.630 1.312 4.504 102 HB3 LEU 16 HB3 LEU 16 -6.799 2.387 5.573 103 HG LEU 16 HG LEU 16 -5.578 0.483 3.550 104 HD11 LEU 16 HD11 LEU 16 -6.740 2.721 3.002 105 HD12 LEU 16 HD12 LEU 16 -5.094 2.447 2.355 106 HD13 LEU 16 HD13 LEU 16 -5.350 3.495 3.776 107 HD21 LEU 16 HD21 LEU 16 -4.181 2.336 5.524 108 HD22 LEU 16 HD22 LEU 16 -3.443 1.521 4.138 109 HD23 LEU 16 HD23 LEU 16 -4.071 0.553 5.482 110 H SER 17 H SER 17 -7.765 1.932 7.729 111 HA SER 17 HA SER 17 -10.538 0.824 7.964 112 HB2 SER 17 HB2 SER 17 -10.678 1.400 10.198 113 HB3 SER 17 HB3 SER 17 -9.061 0.695 10.065 114 HG SER 17 HG SER 17 -8.959 2.598 11.238 115 H TRP 18 H TRP 18 -12.104 2.681 8.657 116 HA TRP 18 HA TRP 18 -12.176 4.925 6.980 117 HB2 TRP 18 HB2 TRP 18 -13.707 5.842 8.748 118 HB3 TRP 18 HB3 TRP 18 -14.091 4.233 8.176 119 HD1 TRP 18 HD1 TRP 18 -13.899 2.207 9.853 120 HE1 TRP 18 HE1 TRP 18 -13.873 2.038 12.408 121 HE3 TRP 18 HE3 TRP 18 -12.849 7.098 10.973 122 HZ2 TRP 18 HZ2 TRP 18 -13.594 3.826 14.656 123 HZ3 TRP 18 HZ3 TRP 18 -12.808 7.856 13.335 124 HH2 TRP 18 HH2 TRP 18 -13.201 6.237 15.182 125 H ASN 19 H ASN 19 -10.133 4.505 9.828 126 HA ASN 19 HA ASN 19 -9.415 7.399 9.794 127 HB2 ASN 19 HB2 ASN 19 -10.157 6.401 11.924 128 HB3 ASN 19 HB3 ASN 19 -8.808 5.263 11.861 129 HD21 ASN 19 HD21 ASN 19 -6.893 5.947 12.760 130 HD22 ASN 19 HD22 ASN 19 -6.570 7.621 13.240 131 H THR 20 H THR 20 -7.901 4.182 9.095 132 HA THR 20 HA THR 20 -5.255 5.367 8.880 133 HB THR 20 HB THR 20 -5.715 3.051 7.147 134 HG1 THR 20 HG1 THR 20 -5.747 2.431 9.874 135 HG21 THR 20 HG21 THR 20 -3.726 2.177 8.282 136 HG22 THR 20 HG22 THR 20 -3.724 3.603 9.355 137 HG23 THR 20 HG23 THR 20 -3.459 3.789 7.609 138 H ASP 21 H ASP 21 -4.064 5.928 7.030 139 HA ASP 21 HA ASP 21 -5.473 6.060 4.475 140 HB2 ASP 21 HB2 ASP 21 -5.287 8.466 4.248 141 HB3 ASP 21 HB3 ASP 21 -6.077 8.151 5.781 142 H ASP 22 H ASP 22 -3.875 7.595 2.878 143 HA ASP 22 HA ASP 22 -1.790 5.780 2.275 144 HB2 ASP 22 HB2 ASP 22 -0.997 7.447 0.658 145 HB3 ASP 22 HB3 ASP 22 -2.688 7.144 0.466 146 H ARG 23 H ARG 23 -1.725 8.785 4.179 147 HA ARG 23 HA ARG 23 1.143 9.082 4.218 148 HB2 ARG 23 HB2 ARG 23 -1.042 10.051 6.103 149 HB3 ARG 23 HB3 ARG 23 0.636 10.568 6.204 150 HG2 ARG 23 HG2 ARG 23 -1.185 11.006 3.791 151 HG3 ARG 23 HG3 ARG 23 -0.851 12.190 5.053 152 HD2 ARG 23 HD2 ARG 23 1.600 12.087 4.471 153 HD3 ARG 23 HD3 ARG 23 1.210 10.964 3.167 154 HE ARG 23 HE ARG 23 0.440 12.673 1.869 155 HH11 ARG 23 HH11 ARG 23 0.756 14.009 5.130 156 HH12 ARG 23 HH12 ARG 23 0.094 15.544 4.601 157 HH21 ARG 23 HH21 ARG 23 -0.138 14.742 1.301 158 HH22 ARG 23 HH22 ARG 23 0.135 16.027 2.481 159 H GLY 24 H GLY 24 -1.023 7.141 6.200 160 HA2 GLY 24 HA2 GLY 24 0.904 6.416 8.238 161 HA3 GLY 24 HA3 GLY 24 -0.614 5.589 7.853 162 H LEU 25 H LEU 25 -0.260 4.782 5.244 163 HA LEU 25 HA LEU 25 1.607 2.603 5.238 164 HB2 LEU 25 HB2 LEU 25 0.481 4.141 2.855 165 HB3 LEU 25 HB3 LEU 25 1.266 2.565 2.771 166 HG LEU 25 HG LEU 25 -1.346 3.055 4.254 167 HD11 LEU 25 HD11 LEU 25 -0.714 2.104 1.432 168 HD12 LEU 25 HD12 LEU 25 -1.715 3.477 1.916 169 HD13 LEU 25 HD13 LEU 25 -2.283 1.831 2.219 170 HD21 LEU 25 HD21 LEU 25 0.123 0.513 3.409 171 HD22 LEU 25 HD22 LEU 25 -1.481 0.560 4.137 172 HD23 LEU 25 HD23 LEU 25 -0.089 1.108 5.072 173 H GLU 26 H GLU 26 1.939 5.848 3.697 174 HA GLU 26 HA GLU 26 4.506 5.536 2.624 175 HB2 GLU 26 HB2 GLU 26 2.984 7.444 2.177 176 HB3 GLU 26 HB3 GLU 26 3.256 8.045 3.816 177 HG2 GLU 26 HG2 GLU 26 5.724 8.266 3.245 178 HG3 GLU 26 HG3 GLU 26 5.316 7.830 1.584 179 H ALA 27 H ALA 27 3.713 6.663 5.982 180 HA ALA 27 HA ALA 27 6.466 7.219 6.543 181 HB1 ALA 27 HB1 ALA 27 5.663 7.566 8.840 182 HB2 ALA 27 HB2 ALA 27 4.501 8.273 7.700 183 HB3 ALA 27 HB3 ALA 27 4.142 6.716 8.473 184 H ALA 28 H ALA 28 4.654 4.213 6.877 185 HA ALA 28 HA ALA 28 6.776 2.856 8.375 186 HB1 ALA 28 HB1 ALA 28 4.412 1.787 6.762 187 HB2 ALA 28 HB2 ALA 28 5.467 0.832 7.828 188 HB3 ALA 28 HB3 ALA 28 4.435 2.101 8.513 189 H PHE 29 H PHE 29 5.705 2.992 4.919 190 HA PHE 29 HA PHE 29 7.858 1.254 4.120 191 HB2 PHE 29 HB2 PHE 29 5.997 2.892 2.411 192 HB3 PHE 29 HB3 PHE 29 7.016 1.559 1.868 193 HD1 PHE 29 HD1 PHE 29 6.518 -0.366 4.286 194 HD2 PHE 29 HD2 PHE 29 3.868 1.992 1.825 195 HE1 PHE 29 HE1 PHE 29 4.674 -1.918 4.787 196 HE2 PHE 29 HE2 PHE 29 2.041 0.382 2.288 197 HZ PHE 29 HZ PHE 29 2.429 -1.563 3.777 198 H SER 30 H SER 30 7.785 4.758 4.408 199 HA SER 30 HA SER 30 10.049 5.319 2.794 200 HB2 SER 30 HB2 SER 30 8.525 6.992 3.854 201 HB3 SER 30 HB3 SER 30 9.254 6.618 5.431 202 HG SER 30 HG SER 30 10.318 8.365 4.622 203 H SER 31 H SER 31 9.897 3.606 5.874 204 HA SER 31 HA SER 31 12.690 3.872 6.581 205 HB2 SER 31 HB2 SER 31 10.646 1.755 7.328 206 HB3 SER 31 HB3 SER 31 12.216 2.005 8.117 207 HG SER 31 HG SER 31 10.233 3.031 9.052 208 H PHE 32 H PHE 32 11.019 1.861 4.228 209 HA PHE 32 HA PHE 32 13.272 -0.028 3.928 210 HB2 PHE 32 HB2 PHE 32 10.708 0.367 2.351 211 HB3 PHE 32 HB3 PHE 32 11.967 -0.765 1.907 212 HD1 PHE 32 HD1 PHE 32 9.498 0.036 4.599 213 HD2 PHE 32 HD2 PHE 32 12.183 -2.906 2.957 214 HE1 PHE 32 HE1 PHE 32 8.483 -1.700 6.060 215 HE2 PHE 32 HE2 PHE 32 11.201 -4.628 4.444 216 HZ PHE 32 HZ PHE 32 9.345 -4.032 5.994 217 H GLY 33 H GLY 33 11.910 2.823 2.163 218 HA2 GLY 33 HA2 GLY 33 14.430 3.773 1.414 219 HA3 GLY 33 HA3 GLY 33 13.854 2.795 0.065 220 H GLU 34 H GLU 34 14.054 4.814 -1.145 221 HA GLU 34 HA GLU 34 12.378 7.107 -0.776 222 HB2 GLU 34 HB2 GLU 34 13.493 5.882 -3.316 223 HB3 GLU 34 HB3 GLU 34 12.720 7.468 -3.204 224 HG2 GLU 34 HG2 GLU 34 14.536 8.238 -1.711 225 HG3 GLU 34 HG3 GLU 34 15.342 6.671 -1.899 226 H ILE 35 H ILE 35 10.292 7.489 -1.174 227 HA ILE 35 HA ILE 35 8.599 5.505 -2.632 228 HB ILE 35 HB ILE 35 8.025 7.506 -0.421 229 HG12 ILE 35 HG12 ILE 35 8.915 5.323 0.322 230 HG13 ILE 35 HG13 ILE 35 7.279 5.625 0.883 231 HG21 ILE 35 HG21 ILE 35 6.124 7.770 -1.843 232 HG22 ILE 35 HG22 ILE 35 5.980 6.015 -2.102 233 HG23 ILE 35 HG23 ILE 35 5.630 6.726 -0.519 234 HD11 ILE 35 HD11 ILE 35 6.382 4.123 -0.901 235 HD12 ILE 35 HD12 ILE 35 8.037 3.800 -1.441 236 HD13 ILE 35 HD13 ILE 35 7.532 3.306 0.183 237 H LEU 36 H LEU 36 7.448 6.101 -4.352 238 HA LEU 36 HA LEU 36 7.603 8.909 -5.366 239 HB2 LEU 36 HB2 LEU 36 6.753 6.301 -6.689 240 HB3 LEU 36 HB3 LEU 36 6.685 7.881 -7.461 241 HG LEU 36 HG LEU 36 9.231 6.510 -6.515 242 HD11 LEU 36 HD11 LEU 36 8.120 6.951 -9.317 243 HD12 LEU 36 HD12 LEU 36 8.168 5.404 -8.443 244 HD13 LEU 36 HD13 LEU 36 9.678 6.201 -8.907 245 HD21 LEU 36 HD21 LEU 36 10.372 8.273 -7.872 246 HD22 LEU 36 HD22 LEU 36 9.519 8.958 -6.491 247 HD23 LEU 36 HD23 LEU 36 8.811 9.079 -8.124 248 H ASP 37 H ASP 37 5.308 6.491 -4.118 249 HA ASP 37 HA ASP 37 3.210 8.501 -3.824 250 HB2 ASP 37 HB2 ASP 37 3.144 7.557 -6.300 251 HB3 ASP 37 HB3 ASP 37 2.550 6.098 -5.583 252 H ALA 38 H ALA 38 1.548 7.752 -2.322 253 HA ALA 38 HA ALA 38 1.032 5.011 -2.864 254 HB1 ALA 38 HB1 ALA 38 1.018 6.026 0.041 255 HB2 ALA 38 HB2 ALA 38 0.361 4.457 -0.472 256 HB3 ALA 38 HB3 ALA 38 2.099 4.784 -0.628 257 H LYS 39 H LYS 39 -1.168 4.468 -2.740 258 HA LYS 39 HA LYS 39 -3.057 6.790 -2.975 259 HB2 LYS 39 HB2 LYS 39 -2.850 5.501 -5.031 260 HB3 LYS 39 HB3 LYS 39 -3.118 4.000 -4.168 261 HG2 LYS 39 HG2 LYS 39 -5.077 4.584 -5.442 262 HG3 LYS 39 HG3 LYS 39 -5.483 4.593 -3.733 263 HD2 LYS 39 HD2 LYS 39 -5.284 7.116 -3.758 264 HD3 LYS 39 HD3 LYS 39 -4.855 7.042 -5.475 265 HE2 LYS 39 HE2 LYS 39 -7.040 5.975 -5.965 266 HE3 LYS 39 HE3 LYS 39 -7.468 6.049 -4.246 267 HZ1 LYS 39 HZ1 LYS 39 -6.852 8.429 -5.904 268 HZ2 LYS 39 HZ2 LYS 39 -7.413 8.453 -4.366 269 HZ3 LYS 39 HZ3 LYS 39 -8.373 7.916 -5.587 270 H ILE 40 H ILE 40 -4.900 6.851 -1.750 271 HA ILE 40 HA ILE 40 -5.764 4.359 -0.372 272 HB ILE 40 HB ILE 40 -4.908 5.770 1.340 273 HG12 ILE 40 HG12 ILE 40 -7.135 4.426 1.524 274 HG13 ILE 40 HG13 ILE 40 -6.542 5.419 2.831 275 HG21 ILE 40 HG21 ILE 40 -5.027 7.983 0.363 276 HG22 ILE 40 HG22 ILE 40 -6.796 7.966 0.397 277 HG23 ILE 40 HG23 ILE 40 -5.873 7.986 1.911 278 HD11 ILE 40 HD11 ILE 40 -8.716 6.348 0.912 279 HD12 ILE 40 HD12 ILE 40 -9.004 5.599 2.484 280 HD13 ILE 40 HD13 ILE 40 -8.168 7.154 2.397 281 H ILE 41 H ILE 41 -7.926 3.850 -0.544 282 HA ILE 41 HA ILE 41 -9.511 5.602 -2.362 283 HB ILE 41 HB ILE 41 -8.415 3.891 -3.609 284 HG12 ILE 41 HG12 ILE 41 -10.299 2.895 -4.797 285 HG13 ILE 41 HG13 ILE 41 -11.402 3.422 -3.524 286 HG21 ILE 41 HG21 ILE 41 -9.186 2.106 -1.457 287 HG22 ILE 41 HG22 ILE 41 -9.747 1.470 -3.001 288 HG23 ILE 41 HG23 ILE 41 -8.025 1.913 -2.782 289 HD11 ILE 41 HD11 ILE 41 -11.389 4.902 -5.533 290 HD12 ILE 41 HD12 ILE 41 -10.929 5.781 -4.067 291 HD13 ILE 41 HD13 ILE 41 -9.683 5.277 -5.233 292 H ASN 42 H ASN 42 -11.628 5.769 -2.187 293 HA ASN 42 HA ASN 42 -13.242 4.262 -0.204 294 HB2 ASN 42 HB2 ASN 42 -12.280 6.420 0.778 295 HB3 ASN 42 HB3 ASN 42 -13.146 7.311 -0.463 296 HD21 ASN 42 HD21 ASN 42 -13.301 6.131 2.696 297 HD22 ASN 42 HD22 ASN 42 -15.049 6.234 2.908 298 H ASP 43 H ASP 43 -15.533 4.135 -0.904 299 HA ASP 43 HA ASP 43 -16.151 5.596 -3.436 300 HB2 ASP 43 HB2 ASP 43 -16.260 2.755 -3.092 301 HB3 ASP 43 HB3 ASP 43 -17.897 3.355 -3.284 302 H ARG 44 H ARG 44 -17.037 7.351 -2.628 303 HA ARG 44 HA ARG 44 -19.012 7.461 -0.527 304 HB2 ARG 44 HB2 ARG 44 -18.365 9.420 -2.772 305 HB3 ARG 44 HB3 ARG 44 -19.372 9.778 -1.362 306 HG2 ARG 44 HG2 ARG 44 -17.446 9.373 0.147 307 HG3 ARG 44 HG3 ARG 44 -16.431 8.969 -1.241 308 HD2 ARG 44 HD2 ARG 44 -15.859 11.181 -0.767 309 HD3 ARG 44 HD3 ARG 44 -16.911 11.289 -2.163 310 HE ARG 44 HE ARG 44 -18.641 12.252 -0.804 311 HH11 ARG 44 HH11 ARG 44 -15.763 11.724 1.225 312 HH12 ARG 44 HH12 ARG 44 -16.242 13.087 2.238 313 HH21 ARG 44 HH21 ARG 44 -19.066 13.822 0.518 314 HH22 ARG 44 HH22 ARG 44 -17.886 14.331 1.718 315 H GLU 45 H GLU 45 -19.328 6.906 -4.002 316 HA GLU 45 HA GLU 45 -22.151 7.093 -4.285 317 HB2 GLU 45 HB2 GLU 45 -20.581 6.771 -6.129 318 HB3 GLU 45 HB3 GLU 45 -20.150 5.167 -5.554 319 HG2 GLU 45 HG2 GLU 45 -22.981 5.949 -6.382 320 HG3 GLU 45 HG3 GLU 45 -21.788 5.356 -7.526 321 H THR 46 H THR 46 -20.160 4.364 -3.056 322 HA THR 46 HA THR 46 -22.635 2.894 -2.305 323 HB THR 46 HB THR 46 -20.134 1.460 -1.912 324 HG1 THR 46 HG1 THR 46 -20.807 2.332 -4.527 325 HG21 THR 46 HG21 THR 46 -22.377 0.402 -1.962 326 HG22 THR 46 HG22 THR 46 -21.289 -0.277 -3.186 327 HG23 THR 46 HG23 THR 46 -22.551 0.880 -3.665 328 H GLY 47 H GLY 47 -20.978 5.154 -0.855 329 HA2 GLY 47 HA2 GLY 47 -20.831 5.875 1.298 330 HA3 GLY 47 HA3 GLY 47 -21.889 4.539 1.768 331 H ARG 48 H ARG 48 -18.731 3.895 0.289 332 HA ARG 48 HA ARG 48 -18.118 2.399 2.814 333 HB2 ARG 48 HB2 ARG 48 -17.564 0.526 1.578 334 HB3 ARG 48 HB3 ARG 48 -18.997 1.146 0.758 335 HG2 ARG 48 HG2 ARG 48 -17.310 2.327 -0.834 336 HG3 ARG 48 HG3 ARG 48 -16.092 1.294 -0.066 337 HD2 ARG 48 HD2 ARG 48 -18.400 0.448 -1.800 338 HD3 ARG 48 HD3 ARG 48 -16.673 0.384 -2.143 339 HE ARG 48 HE ARG 48 -16.821 -1.239 0.048 340 HH11 ARG 48 HH11 ARG 48 -18.578 -1.383 -3.026 341 HH12 ARG 48 HH12 ARG 48 -19.192 -2.989 -2.609 342 HH21 ARG 48 HH21 ARG 48 -17.751 -3.275 0.399 343 HH22 ARG 48 HH22 ARG 48 -18.726 -3.973 -0.894 344 H SER 49 H SER 49 -16.254 2.642 3.836 345 HA SER 49 HA SER 49 -13.810 3.701 2.664 346 HB2 SER 49 HB2 SER 49 -12.782 2.410 4.592 347 HB3 SER 49 HB3 SER 49 -13.954 3.659 5.034 348 HG SER 49 HG SER 49 -14.251 1.678 6.165 349 H ARG 50 H ARG 50 -12.640 2.716 1.050 350 HA ARG 50 HA ARG 50 -13.227 -0.138 0.374 351 HB2 ARG 50 HB2 ARG 50 -11.911 2.091 -1.168 352 HB3 ARG 50 HB3 ARG 50 -11.560 0.413 -1.559 353 HG2 ARG 50 HG2 ARG 50 -13.893 -0.060 -1.914 354 HG3 ARG 50 HG3 ARG 50 -14.364 1.538 -1.318 355 HD2 ARG 50 HD2 ARG 50 -14.616 1.397 -3.716 356 HD3 ARG 50 HD3 ARG 50 -13.430 2.623 -3.265 357 HE ARG 50 HE ARG 50 -12.006 0.211 -3.793 358 HH11 ARG 50 HH11 ARG 50 -14.053 2.370 -5.778 359 HH12 ARG 50 HH12 ARG 50 -13.031 1.999 -7.171 360 HH21 ARG 50 HH21 ARG 50 -10.963 -0.155 -5.605 361 HH22 ARG 50 HH22 ARG 50 -11.421 0.698 -7.100 362 H GLY 51 H GLY 51 -10.822 1.765 1.998 363 HA2 GLY 51 HA2 GLY 51 -9.351 1.073 3.535 364 HA3 GLY 51 HA3 GLY 51 -10.105 -0.506 3.515 365 H PHE 52 H PHE 52 -8.647 0.655 0.616 366 HA PHE 52 HA PHE 52 -6.270 -1.096 0.826 367 HB2 PHE 52 HB2 PHE 52 -8.463 -1.217 -1.267 368 HB3 PHE 52 HB3 PHE 52 -6.797 -1.559 -1.692 369 HD1 PHE 52 HD2 PHE 52 -9.004 -2.702 1.158 370 HD2 PHE 52 HD1 PHE 52 -6.341 -3.739 -2.060 371 HE1 PHE 52 HE2 PHE 52 -9.211 -5.092 1.761 372 HE2 PHE 52 HE1 PHE 52 -6.553 -6.132 -1.461 373 HZ PHE 52 HZ PHE 52 -7.980 -6.816 0.458 374 H GLY 53 H GLY 53 -4.783 -0.640 -0.998 375 HA2 GLY 53 HA2 GLY 53 -4.807 2.092 -2.085 376 HA3 GLY 53 HA3 GLY 53 -3.626 1.764 -0.805 377 H PHE 54 H PHE 54 -2.534 2.567 -2.888 378 HA PHE 54 HA PHE 54 -1.117 0.197 -3.934 379 HB2 PHE 54 HB2 PHE 54 -1.458 2.815 -5.436 380 HB3 PHE 54 HB3 PHE 54 -0.398 1.498 -5.910 381 HD1 PHE 54 HD1 PHE 54 -1.499 -0.865 -6.228 382 HD2 PHE 54 HD2 PHE 54 -3.654 2.865 -6.343 383 HE1 PHE 54 HE1 PHE 54 -3.286 -1.933 -7.570 384 HE2 PHE 54 HE2 PHE 54 -5.466 1.777 -7.641 385 HZ PHE 54 HZ PHE 54 -5.282 -0.625 -8.269 386 H VAL 55 H VAL 55 1.190 0.465 -4.039 387 HA VAL 55 HA VAL 55 2.344 2.968 -2.872 388 HB VAL 55 HB VAL 55 3.407 0.193 -2.215 389 HG11 VAL 55 HG11 VAL 55 5.125 1.961 -2.154 390 HG12 VAL 55 HG12 VAL 55 4.082 2.958 -1.115 391 HG13 VAL 55 HG13 VAL 55 4.749 1.419 -0.523 392 HG21 VAL 55 HG21 VAL 55 2.626 0.522 0.066 393 HG22 VAL 55 HG22 VAL 55 1.801 2.035 -0.397 394 HG23 VAL 55 HG23 VAL 55 1.267 0.464 -1.038 395 H SER 56 H SER 56 4.140 3.692 -4.002 396 HA SER 56 HA SER 56 5.421 1.867 -5.999 397 HB2 SER 56 HB2 SER 56 3.817 3.332 -7.178 398 HB3 SER 56 HB3 SER 56 4.641 4.744 -6.511 399 HG SER 56 HG SER 56 5.406 4.338 -8.579 400 H PHE 57 H PHE 57 7.573 1.930 -6.056 401 HA PHE 57 HA PHE 57 9.008 3.732 -4.134 402 HB2 PHE 57 HB2 PHE 57 9.703 0.958 -5.152 403 HB3 PHE 57 HB3 PHE 57 10.692 1.913 -4.070 404 HD1 PHE 57 HD2 PHE 57 7.452 0.077 -4.333 405 HD2 PHE 57 HD1 PHE 57 10.281 2.004 -1.712 406 HE1 PHE 57 HE2 PHE 57 6.319 -0.935 -2.363 407 HE2 PHE 57 HE1 PHE 57 9.149 0.993 0.252 408 HZ PHE 57 HZ PHE 57 7.166 -0.474 -0.070 409 H SER 58 H SER 58 11.122 4.533 -4.711 410 HA SER 58 HA SER 58 11.447 5.052 -7.576 411 HB2 SER 58 HB2 SER 58 13.408 5.854 -5.437 412 HB3 SER 58 HB3 SER 58 13.144 6.567 -7.026 413 HG SER 58 HG SER 58 12.122 7.888 -5.708 414 H ASN 59 H ASN 59 12.798 2.634 -5.433 415 HA ASN 59 HA ASN 59 14.773 1.912 -7.559 416 HB2 ASN 59 HB2 ASN 59 15.272 1.747 -4.573 417 HB3 ASN 59 HB3 ASN 59 16.406 1.360 -5.856 418 HD21 ASN 59 HD21 ASN 59 14.945 3.931 -4.021 419 HD22 ASN 59 HD22 ASN 59 15.967 5.228 -4.619 420 H GLU 60 H GLU 60 15.248 -0.215 -7.862 421 HA GLU 60 HA GLU 60 12.856 -1.787 -7.805 422 HB2 GLU 60 HB2 GLU 60 14.486 -1.477 -9.681 423 HB3 GLU 60 HB3 GLU 60 15.637 -2.495 -8.814 424 HG2 GLU 60 HG2 GLU 60 13.918 -4.360 -8.968 425 HG3 GLU 60 HG3 GLU 60 12.931 -3.291 -9.976 426 H GLN 61 H GLN 61 16.037 -2.311 -6.156 427 HA GLN 61 HA GLN 61 15.287 -4.949 -5.222 428 HB2 GLN 61 HB2 GLN 61 17.635 -4.069 -5.614 429 HB3 GLN 61 HB3 GLN 61 17.471 -3.146 -4.108 430 HG2 GLN 61 HG2 GLN 61 17.113 -5.256 -2.854 431 HG3 GLN 61 HG3 GLN 61 17.177 -6.167 -4.369 432 HE21 GLN 61 HE21 GLN 61 19.127 -4.332 -2.008 433 HE22 GLN 61 HE22 GLN 61 20.667 -4.900 -2.656 434 H ALA 62 H ALA 62 15.074 -1.700 -3.825 435 HA ALA 62 HA ALA 62 14.374 -2.401 -1.151 436 HB1 ALA 62 HB1 ALA 62 15.153 -0.157 -1.879 437 HB2 ALA 62 HB2 ALA 62 13.647 0.070 -2.803 438 HB3 ALA 62 HB3 ALA 62 13.599 -0.062 -1.033 439 H MET 63 H MET 63 12.325 -1.841 -4.051 440 HA MET 63 HA MET 63 9.794 -2.089 -2.809 441 HB2 MET 63 HB2 MET 63 10.208 -1.236 -5.074 442 HB3 MET 63 HB3 MET 63 10.689 -2.832 -5.638 443 HG2 MET 63 HG2 MET 63 7.959 -2.374 -4.405 444 HG3 MET 63 HG3 MET 63 8.278 -1.953 -6.087 445 HE1 MET 63 HE1 MET 63 6.090 -5.211 -6.295 446 HE2 MET 63 HE2 MET 63 6.012 -3.944 -5.045 447 HE3 MET 63 HE3 MET 63 6.214 -3.497 -6.758 448 H GLN 64 H GLN 64 11.890 -4.669 -4.166 449 HA GLN 64 HA GLN 64 9.969 -6.793 -3.669 450 HB2 GLN 64 HB2 GLN 64 12.945 -6.778 -4.264 451 HB3 GLN 64 HB3 GLN 64 11.992 -8.259 -4.064 452 HG2 GLN 64 HG2 GLN 64 10.718 -7.862 -6.028 453 HG3 GLN 64 HG3 GLN 64 11.143 -6.147 -6.084 454 HE21 GLN 64 HE21 GLN 64 13.263 -5.499 -6.812 455 HE22 GLN 64 HE22 GLN 64 14.242 -6.637 -7.747 456 H ASP 65 H ASP 65 12.735 -5.470 -1.842 457 HA ASP 65 HA ASP 65 12.660 -7.445 0.256 458 HB2 ASP 65 HB2 ASP 65 14.578 -5.866 -0.302 459 HB3 ASP 65 HB3 ASP 65 13.629 -4.556 0.405 460 H ALA 66 H ALA 66 10.869 -4.437 -0.326 461 HA ALA 66 HA ALA 66 9.500 -4.458 2.230 462 HB1 ALA 66 HB1 ALA 66 8.017 -2.831 1.226 463 HB2 ALA 66 HB2 ALA 66 9.695 -2.433 0.824 464 HB3 ALA 66 HB3 ALA 66 8.644 -3.180 -0.397 465 H ILE 67 H ILE 67 8.478 -5.639 -1.051 466 HA ILE 67 HA ILE 67 6.071 -6.856 -0.283 467 HB ILE 67 HB ILE 67 8.072 -7.611 -2.433 468 HG12 ILE 67 HG12 ILE 67 6.968 -5.376 -2.633 469 HG13 ILE 67 HG13 ILE 67 6.650 -6.467 -3.966 470 HG21 ILE 67 HG21 ILE 67 6.830 -9.643 -2.173 471 HG22 ILE 67 HG22 ILE 67 5.288 -8.772 -2.038 472 HG23 ILE 67 HG23 ILE 67 6.164 -8.807 -3.581 473 HD11 ILE 67 HD11 ILE 67 4.682 -5.176 -3.316 474 HD12 ILE 67 HD12 ILE 67 4.375 -6.898 -3.102 475 HD13 ILE 67 HD13 ILE 67 4.708 -5.858 -1.688 476 H GLU 68 H GLU 68 9.337 -8.426 -0.037 477 HA GLU 68 HA GLU 68 8.168 -10.816 1.153 478 HB2 GLU 68 HB2 GLU 68 10.996 -9.730 1.233 479 HB3 GLU 68 HB3 GLU 68 10.528 -11.306 1.871 480 HG2 GLU 68 HG2 GLU 68 10.113 -10.498 -1.035 481 HG3 GLU 68 HG3 GLU 68 11.563 -11.287 -0.435 482 H GLY 69 H GLY 69 8.994 -7.726 2.568 483 HA2 GLY 69 HA2 GLY 69 8.876 -8.698 5.347 484 HA3 GLY 69 HA3 GLY 69 9.043 -7.033 4.785 485 H MET 70 H MET 70 6.697 -7.035 3.074 486 HA MET 70 HA MET 70 4.717 -6.123 4.914 487 HB2 MET 70 HB2 MET 70 4.675 -6.732 1.931 488 HB3 MET 70 HB3 MET 70 3.256 -6.102 2.749 489 HG2 MET 70 HG2 MET 70 5.023 -4.212 3.539 490 HG3 MET 70 HG3 MET 70 5.846 -4.745 2.067 491 HE1 MET 70 HE1 MET 70 4.453 -1.695 0.332 492 HE2 MET 70 HE2 MET 70 5.530 -1.985 1.714 493 HE3 MET 70 HE3 MET 70 5.687 -2.971 0.241 494 H ASN 71 H ASN 71 4.872 -9.142 3.007 495 HA ASN 71 HA ASN 71 2.232 -9.971 3.169 496 HB2 ASN 71 HB2 ASN 71 3.965 -10.993 1.768 497 HB3 ASN 71 HB3 ASN 71 4.811 -11.584 3.196 498 HD21 ASN 71 HD21 ASN 71 4.674 -13.719 2.326 499 HD22 ASN 71 HD22 ASN 71 3.158 -14.606 2.409 500 H GLY 72 H GLY 72 0.946 -10.106 4.848 501 HA2 GLY 72 HA2 GLY 72 -0.018 -11.155 6.675 502 HA3 GLY 72 HA3 GLY 72 1.513 -11.940 7.056 503 H LYS 73 H LYS 73 2.078 -8.557 6.822 504 HA LYS 73 HA LYS 73 2.428 -8.354 9.709 505 HB2 LYS 73 HB2 LYS 73 2.560 -6.262 7.497 506 HB3 LYS 73 HB3 LYS 73 2.935 -5.906 9.173 507 HG2 LYS 73 HG2 LYS 73 4.375 -7.926 7.418 508 HG3 LYS 73 HG3 LYS 73 4.959 -6.313 7.813 509 HD2 LYS 73 HD2 LYS 73 4.548 -8.581 9.820 510 HD3 LYS 73 HD3 LYS 73 6.069 -8.111 9.080 511 HE2 LYS 73 HE2 LYS 73 5.976 -5.902 10.120 512 HE3 LYS 73 HE3 LYS 73 4.396 -6.259 10.835 513 HZ1 LYS 73 HZ1 LYS 73 6.790 -7.909 11.387 514 HZ2 LYS 73 HZ2 LYS 73 5.389 -7.918 12.218 515 HZ3 LYS 73 HZ3 LYS 73 6.406 -6.615 12.312 516 H GLU 74 H GLU 74 1.443 -7.193 11.214 517 HA GLU 74 HA GLU 74 -1.393 -6.400 10.798 518 HB2 GLU 74 HB2 GLU 74 0.388 -6.629 13.250 519 HB3 GLU 74 HB3 GLU 74 -1.252 -5.972 13.294 520 HG2 GLU 74 HG2 GLU 74 -2.217 -8.052 12.555 521 HG3 GLU 74 HG3 GLU 74 -0.628 -8.752 12.221 522 H LEU 75 H LEU 75 -1.111 -4.597 9.427 523 HA LEU 75 HA LEU 75 0.588 -2.371 10.415 524 HB2 LEU 75 HB2 LEU 75 0.751 -3.373 8.032 525 HB3 LEU 75 HB3 LEU 75 -0.768 -2.537 7.719 526 HG LEU 75 HG LEU 75 0.366 -0.364 8.354 527 HD11 LEU 75 HD11 LEU 75 2.908 -0.402 8.332 528 HD12 LEU 75 HD12 LEU 75 2.828 -2.172 8.515 529 HD13 LEU 75 HD13 LEU 75 2.191 -1.097 9.777 530 HD21 LEU 75 HD21 LEU 75 1.734 -0.208 6.303 531 HD22 LEU 75 HD22 LEU 75 0.216 -1.065 6.003 532 HD23 LEU 75 HD23 LEU 75 1.736 -1.979 6.164 533 H ASP 76 H ASP 76 -0.263 -0.596 11.277 534 HA ASP 76 HA ASP 76 -1.729 0.570 12.500 535 HB2 ASP 76 HB2 ASP 76 -2.504 1.306 10.218 536 HB3 ASP 76 HB3 ASP 76 -3.843 0.163 10.363 537 H GLY 77 H GLY 77 -1.445 -2.310 12.739 538 HA2 GLY 77 HA2 GLY 77 -2.146 -3.872 14.322 539 HA3 GLY 77 HA3 GLY 77 -3.658 -3.005 14.558 540 H ARG 78 H ARG 78 -3.472 -3.309 11.237 541 HA ARG 78 HA ARG 78 -5.328 -5.650 11.358 542 HB2 ARG 78 HB2 ARG 78 -5.157 -3.502 9.234 543 HB3 ARG 78 HB3 ARG 78 -6.457 -4.657 9.494 544 HG2 ARG 78 HG2 ARG 78 -5.719 -2.220 11.155 545 HG3 ARG 78 HG3 ARG 78 -7.187 -2.478 10.230 546 HD2 ARG 78 HD2 ARG 78 -6.405 -4.031 12.739 547 HD3 ARG 78 HD3 ARG 78 -7.508 -2.657 12.679 548 HE ARG 78 HE ARG 78 -8.367 -4.726 10.855 549 HH11 ARG 78 HH11 ARG 78 -8.307 -4.132 14.344 550 HH12 ARG 78 HH12 ARG 78 -9.804 -5.060 14.533 551 HH21 ARG 78 HH21 ARG 78 -10.198 -5.822 11.257 552 HH22 ARG 78 HH22 ARG 78 -10.760 -6.002 12.927 553 H SER 79 H SER 79 -5.049 -7.428 10.150 554 HA SER 79 HA SER 79 -2.494 -8.037 9.087 555 HB2 SER 79 HB2 SER 79 -5.129 -9.480 8.644 556 HB3 SER 79 HB3 SER 79 -3.511 -10.115 8.283 557 HG SER 79 HG SER 79 -4.587 -9.406 10.813 558 H ILE 80 H ILE 80 -1.566 -7.396 7.302 559 HA ILE 80 HA ILE 80 -3.124 -6.395 5.036 560 HB ILE 80 HB ILE 80 -1.213 -5.205 6.233 561 HG12 ILE 80 HG12 ILE 80 -0.980 -5.314 3.197 562 HG13 ILE 80 HG13 ILE 80 -2.250 -4.459 4.077 563 HG21 ILE 80 HG21 ILE 80 1.052 -5.665 5.612 564 HG22 ILE 80 HG22 ILE 80 0.351 -7.208 6.093 565 HG23 ILE 80 HG23 ILE 80 0.561 -6.839 4.375 566 HD11 ILE 80 HD11 ILE 80 -0.569 -2.848 3.531 567 HD12 ILE 80 HD12 ILE 80 -0.474 -3.146 5.270 568 HD13 ILE 80 HD13 ILE 80 0.729 -3.867 4.171 569 H VAL 81 H VAL 81 -2.445 -6.801 2.816 570 HA VAL 81 HA VAL 81 -1.142 -9.403 2.231 571 HB VAL 81 HB VAL 81 -3.915 -8.604 1.254 572 HG11 VAL 81 HG11 VAL 81 -2.713 -9.430 -0.719 573 HG12 VAL 81 HG12 VAL 81 -2.133 -10.845 0.198 574 HG13 VAL 81 HG13 VAL 81 -3.857 -10.640 -0.163 575 HG21 VAL 81 HG21 VAL 81 -4.466 -10.918 2.076 576 HG22 VAL 81 HG22 VAL 81 -2.801 -11.055 2.698 577 HG23 VAL 81 HG23 VAL 81 -3.922 -9.842 3.359 578 H VAL 82 H VAL 82 -0.051 -9.410 0.275 579 HA VAL 82 HA VAL 82 0.125 -6.794 -1.157 580 HB VAL 82 HB VAL 82 2.506 -7.226 -1.547 581 HG11 VAL 82 HG11 VAL 82 1.655 -6.738 1.319 582 HG12 VAL 82 HG12 VAL 82 3.091 -6.112 0.439 583 HG13 VAL 82 HG13 VAL 82 1.486 -5.555 -0.001 584 HG21 VAL 82 HG21 VAL 82 3.777 -8.500 0.098 585 HG22 VAL 82 HG22 VAL 82 2.286 -9.089 0.854 586 HG23 VAL 82 HG23 VAL 82 2.710 -9.592 -0.794 587 H ASN 83 H ASN 83 0.248 -6.846 -3.363 588 HA ASN 83 HA ASN 83 1.850 -8.803 -4.614 589 HB2 ASN 83 HB2 ASN 83 0.350 -9.530 -6.456 590 HB3 ASN 83 HB3 ASN 83 -0.074 -10.203 -4.903 591 HD21 ASN 83 HD21 ASN 83 -1.013 -7.533 -7.178 592 HD22 ASN 83 HD22 ASN 83 -2.721 -7.690 -6.758 593 H GLU 84 H GLU 84 2.505 -8.182 -6.767 594 HA GLU 84 HA GLU 84 2.900 -5.468 -7.164 595 HB2 GLU 84 HB2 GLU 84 3.848 -6.017 -9.303 596 HB3 GLU 84 HB3 GLU 84 4.281 -7.220 -8.104 597 HG2 GLU 84 HG2 GLU 84 3.692 -8.745 -9.627 598 HG3 GLU 84 HG3 GLU 84 2.031 -8.401 -9.187 599 H ALA 85 H ALA 85 2.266 -3.976 -8.786 600 HA ALA 85 HA ALA 85 -0.499 -4.259 -9.852 601 HB1 ALA 85 HB1 ALA 85 0.610 -1.861 -8.337 602 HB2 ALA 85 HB2 ALA 85 -1.010 -2.009 -9.043 603 HB3 ALA 85 HB3 ALA 85 -0.542 -3.053 -7.696 604 H GLN 86 H GLN 86 2.116 -4.506 -11.267 605 HA GLN 86 HA GLN 86 1.794 -2.198 -13.164 606 HB2 GLN 86 HB2 GLN 86 3.902 -2.502 -14.018 607 HB3 GLN 86 HB3 GLN 86 4.053 -2.386 -12.277 608 HG2 GLN 86 HG2 GLN 86 4.994 -4.452 -12.089 609 HG3 GLN 86 HG3 GLN 86 3.912 -5.189 -13.268 610 HE21 GLN 86 HE21 GLN 86 6.930 -3.260 -12.965 611 HE22 GLN 86 HE22 GLN 86 7.539 -3.863 -14.519 612 H SER 87 H SER 87 1.491 -5.654 -12.821 613 HA SER 87 HA SER 87 0.840 -6.562 -15.376 614 HB2 SER 87 HB2 SER 87 -0.908 -7.957 -14.064 615 HB3 SER 87 HB3 SER 87 0.790 -8.104 -13.590 616 HG SER 87 HG SER 87 0.488 -6.861 -11.847 617 H ARG 88 H ARG 88 -1.145 -4.483 -13.294 618 HA ARG 88 HA ARG 88 -3.474 -4.506 -15.063 619 HB2 ARG 88 HB2 ARG 88 -2.788 -2.802 -12.638 620 HB3 ARG 88 HB3 ARG 88 -4.345 -2.787 -13.452 621 HG2 ARG 88 HG2 ARG 88 -3.163 -5.248 -12.077 622 HG3 ARG 88 HG3 ARG 88 -4.289 -4.109 -11.357 623 HD2 ARG 88 HD2 ARG 88 -5.643 -5.890 -12.018 624 HD3 ARG 88 HD3 ARG 88 -5.936 -4.636 -13.210 625 HE ARG 88 HE ARG 88 -5.089 -6.027 -14.869 626 HH11 ARG 88 HH11 ARG 88 -4.416 -7.648 -11.799 627 HH12 ARG 88 HH12 ARG 88 -3.812 -9.051 -12.646 628 HH21 ARG 88 HH21 ARG 88 -4.336 -7.763 -15.768 629 HH22 ARG 88 HH22 ARG 88 -3.830 -9.160 -14.824 630 H GLY 89 H GLY 89 -0.570 -2.804 -15.340 631 HA2 GLY 89 HA2 GLY 89 -1.398 -0.373 -16.580 632 HA3 GLY 89 HA3 GLY 89 0.110 -1.246 -16.859 633 H TYR 90 H TYR 90 -1.758 -3.607 -17.647 634 HA TYR 90 HA TYR 90 -2.616 -2.789 -20.384 635 HB2 TYR 90 HB2 TYR 90 -0.709 -4.403 -20.204 636 HB3 TYR 90 HB3 TYR 90 -1.759 -5.503 -19.322 637 HD1 TYR 90 HD2 TYR 90 -1.303 -3.733 -22.591 638 HD2 TYR 90 HD1 TYR 90 -3.120 -7.059 -20.519 639 HE1 TYR 90 HE2 TYR 90 -1.851 -4.791 -24.771 640 HE2 TYR 90 HE1 TYR 90 -3.664 -8.113 -22.704 641 HH TYR 90 HH TYR 90 -2.677 -6.626 -25.821 642 H GLY 91 H GLY 91 -4.666 -3.648 -21.066 643 HA2 GLY 91 HA2 GLY 91 -6.842 -4.543 -20.721 644 HA3 GLY 91 HA3 GLY 91 -6.555 -4.662 -18.989 645 H GLY 92 H GLY 92 -8.864 -3.561 -20.027 646 HA2 GLY 92 HA2 GLY 92 -9.542 -1.249 -18.793 647 HA3 GLY 92 HA3 GLY 92 -8.700 -0.618 -20.213 Start of MODEL 4 1 H1 MET 1 H1 MET 1 13.611 -7.294 -11.966 2 H2 MET 1 H2 MET 1 14.371 -8.321 -13.004 3 H3 MET 1 H3 MET 1 13.030 -8.830 -12.204 4 HA MET 1 HA MET 1 12.410 -8.356 -14.442 5 HB2 MET 1 HB2 MET 1 11.493 -6.227 -12.469 6 HB3 MET 1 HB3 MET 1 10.798 -6.427 -14.047 7 HG2 MET 1 HG2 MET 1 9.352 -7.498 -12.547 8 HG3 MET 1 HG3 MET 1 10.140 -8.737 -13.490 9 HE1 MET 1 HE1 MET 1 10.314 -7.993 -8.959 10 HE2 MET 1 HE2 MET 1 11.160 -6.818 -9.973 11 HE3 MET 1 HE3 MET 1 9.413 -7.093 -10.180 12 H ALA 2 H ALA 2 11.919 -6.274 -15.914 13 HA ALA 2 HA ALA 2 14.120 -4.271 -15.743 14 HB1 ALA 2 HB1 ALA 2 14.879 -5.932 -17.361 15 HB2 ALA 2 HB2 ALA 2 13.335 -5.843 -18.233 16 HB3 ALA 2 HB3 ALA 2 14.422 -4.440 -18.205 17 H GLU 3 H GLU 3 13.003 -2.439 -15.292 18 HA GLU 3 HA GLU 3 10.318 -1.965 -16.464 19 HB2 GLU 3 HB2 GLU 3 11.750 -1.023 -13.979 20 HB3 GLU 3 HB3 GLU 3 10.520 0.019 -14.698 21 HG2 GLU 3 HG2 GLU 3 9.555 -1.376 -12.960 22 HG3 GLU 3 HG3 GLU 3 8.830 -1.618 -14.542 23 H SER 4 H SER 4 10.564 -1.216 -18.374 24 HA SER 4 HA SER 4 12.287 0.735 -19.494 25 HB2 SER 4 HB2 SER 4 9.326 0.424 -20.119 26 HB3 SER 4 HB3 SER 4 10.607 1.036 -21.182 27 HG SER 4 HG SER 4 10.169 -1.595 -20.251 28 H ASP 5 H ASP 5 11.395 2.977 -20.328 29 HA ASP 5 HA ASP 5 11.218 4.663 -18.014 30 HB2 ASP 5 HB2 ASP 5 10.592 5.376 -20.875 31 HB3 ASP 5 HB3 ASP 5 11.002 6.504 -19.578 32 H GLY 6 H GLY 6 8.677 3.436 -20.135 33 HA2 GLY 6 HA2 GLY 6 6.515 4.976 -18.922 34 HA3 GLY 6 HA3 GLY 6 6.387 3.680 -20.113 35 H ALA 7 H ALA 7 8.214 2.259 -17.803 36 HA ALA 7 HA ALA 7 5.864 0.954 -16.546 37 HB1 ALA 7 HB1 ALA 7 7.340 -0.936 -16.224 38 HB2 ALA 7 HB2 ALA 7 7.469 -0.404 -17.911 39 HB3 ALA 7 HB3 ALA 7 8.744 0.018 -16.750 40 H GLU 8 H GLU 8 6.069 0.266 -14.273 41 HA GLU 8 HA GLU 8 7.591 2.171 -12.578 42 HB2 GLU 8 HB2 GLU 8 5.518 2.797 -11.415 43 HB3 GLU 8 HB3 GLU 8 5.432 3.201 -13.134 44 HG2 GLU 8 HG2 GLU 8 4.132 1.058 -13.502 45 HG3 GLU 8 HG3 GLU 8 4.099 0.829 -11.758 46 H TYR 9 H TYR 9 7.874 1.648 -10.384 47 HA TYR 9 HA TYR 9 7.614 -1.255 -9.757 48 HB2 TYR 9 HB2 TYR 9 8.942 0.899 -8.087 49 HB3 TYR 9 HB3 TYR 9 9.125 -0.839 -7.944 50 HD1 TYR 9 HD1 TYR 9 10.263 -2.069 -9.986 51 HD2 TYR 9 HD2 TYR 9 10.431 2.173 -9.292 52 HE1 TYR 9 HE1 TYR 9 12.329 -1.917 -11.367 53 HE2 TYR 9 HE2 TYR 9 12.483 2.333 -10.653 54 HH TYR 9 HH TYR 9 14.113 1.187 -11.691 55 H ARG 10 H ARG 10 5.218 -0.954 -9.706 56 HA ARG 10 HA ARG 10 4.196 0.349 -7.216 57 HB2 ARG 10 HB2 ARG 10 3.538 1.221 -9.487 58 HB3 ARG 10 HB3 ARG 10 2.670 -0.292 -9.763 59 HG2 ARG 10 HG2 ARG 10 1.237 0.248 -7.746 60 HG3 ARG 10 HG3 ARG 10 2.108 1.796 -7.603 61 HD2 ARG 10 HD2 ARG 10 1.436 2.227 -10.051 62 HD3 ARG 10 HD3 ARG 10 0.367 0.823 -9.903 63 HE ARG 10 HE ARG 10 -0.013 2.959 -7.894 64 HH11 ARG 10 HH11 ARG 10 -1.053 1.911 -11.109 65 HH12 ARG 10 HH12 ARG 10 -2.295 3.142 -11.129 66 HH21 ARG 10 HH21 ARG 10 -1.772 4.264 -7.970 67 HH22 ARG 10 HH22 ARG 10 -2.931 4.099 -9.284 68 H CYS 11 H CYS 11 3.017 -0.736 -5.720 69 HA CYS 11 HA CYS 11 2.007 -3.452 -6.375 70 HB2 CYS 11 HB2 CYS 11 3.077 -4.543 -4.685 71 HB3 CYS 11 HB3 CYS 11 4.304 -3.354 -5.103 72 HG CYS 11 HG CYS 11 2.058 -3.277 -2.632 73 H PHE 12 H PHE 12 0.390 -4.270 -5.001 74 HA PHE 12 HA PHE 12 -1.662 -2.361 -4.118 75 HB2 PHE 12 HB2 PHE 12 -2.306 -4.353 -5.359 76 HB3 PHE 12 HB3 PHE 12 -1.399 -5.384 -4.257 77 HD1 PHE 12 HD2 PHE 12 -4.379 -3.166 -4.493 78 HD2 PHE 12 HD1 PHE 12 -2.381 -6.254 -2.248 79 HE1 PHE 12 HE2 PHE 12 -6.435 -3.516 -3.151 80 HE2 PHE 12 HE1 PHE 12 -4.431 -6.579 -0.882 81 HZ PHE 12 HZ PHE 12 -6.455 -5.209 -1.330 82 H VAL 13 H VAL 13 -2.467 -2.220 -2.043 83 HA VAL 13 HA VAL 13 -1.269 -3.734 0.182 84 HB VAL 13 HB VAL 13 -1.528 -1.423 1.489 85 HG11 VAL 13 HG11 VAL 13 0.998 -2.104 -0.031 86 HG12 VAL 13 HG12 VAL 13 0.840 -1.183 1.494 87 HG13 VAL 13 HG13 VAL 13 0.431 -2.914 1.449 88 HG21 VAL 13 HG21 VAL 13 -0.544 0.467 0.294 89 HG22 VAL 13 HG22 VAL 13 -0.516 -0.442 -1.216 90 HG23 VAL 13 HG23 VAL 13 -2.068 -0.013 -0.449 91 H GLY 14 H GLY 14 -2.965 -4.696 1.140 92 HA2 GLY 14 HA2 GLY 14 -5.522 -3.141 1.518 93 HA3 GLY 14 HA3 GLY 14 -5.456 -4.888 1.319 94 H SER 15 H SER 15 -6.073 -2.683 3.540 95 HA SER 15 HA SER 15 -5.898 -4.271 5.835 96 HB2 SER 15 HB2 SER 15 -4.155 -3.025 7.189 97 HB3 SER 15 HB3 SER 15 -3.487 -4.064 5.935 98 HG SER 15 HG SER 15 -2.574 -1.927 6.086 99 H LEU 16 H LEU 16 -6.193 -1.108 4.415 100 HA LEU 16 HA LEU 16 -6.166 0.481 6.725 101 HB2 LEU 16 HB2 LEU 16 -7.579 1.181 4.146 102 HB3 LEU 16 HB3 LEU 16 -6.953 2.314 5.287 103 HG LEU 16 HG LEU 16 -5.451 0.549 3.337 104 HD11 LEU 16 HD11 LEU 16 -6.595 2.780 2.811 105 HD12 LEU 16 HD12 LEU 16 -4.869 2.640 2.363 106 HD13 LEU 16 HD13 LEU 16 -5.358 3.553 3.810 107 HD21 LEU 16 HD21 LEU 16 -4.176 2.327 5.457 108 HD22 LEU 16 HD22 LEU 16 -3.349 1.446 4.154 109 HD23 LEU 16 HD23 LEU 16 -4.132 0.549 5.453 110 H SER 17 H SER 17 -7.737 1.894 7.483 111 HA SER 17 HA SER 17 -10.477 0.740 7.904 112 HB2 SER 17 HB2 SER 17 -8.632 1.963 10.002 113 HB3 SER 17 HB3 SER 17 -10.261 1.339 10.257 114 HG SER 17 HG SER 17 -7.948 0.037 10.345 115 H TRP 18 H TRP 18 -12.016 2.489 8.807 116 HA TRP 18 HA TRP 18 -12.075 4.748 7.200 117 HB2 TRP 18 HB2 TRP 18 -13.809 5.609 8.563 118 HB3 TRP 18 HB3 TRP 18 -13.973 3.868 8.520 119 HD1 TRP 18 HD1 TRP 18 -14.052 2.623 10.779 120 HE1 TRP 18 HE1 TRP 18 -13.999 3.305 13.259 121 HE3 TRP 18 HE3 TRP 18 -12.744 7.552 10.240 122 HZ2 TRP 18 HZ2 TRP 18 -13.332 5.641 14.802 123 HZ3 TRP 18 HZ3 TRP 18 -12.404 8.979 12.238 124 HH2 TRP 18 HH2 TRP 18 -12.657 8.030 14.524 125 H ASN 19 H ASN 19 -10.399 4.581 10.324 126 HA ASN 19 HA ASN 19 -9.749 7.412 10.389 127 HB2 ASN 19 HB2 ASN 19 -10.056 6.021 12.402 128 HB3 ASN 19 HB3 ASN 19 -8.684 5.012 11.935 129 HD21 ASN 19 HD21 ASN 19 -6.626 5.657 12.602 130 HD22 ASN 19 HD22 ASN 19 -6.299 7.267 13.248 131 H THR 20 H THR 20 -8.124 4.559 9.025 132 HA THR 20 HA THR 20 -5.491 5.741 8.829 133 HB THR 20 HB THR 20 -6.224 3.536 6.963 134 HG1 THR 20 HG1 THR 20 -5.869 2.798 9.636 135 HG21 THR 20 HG21 THR 20 -3.897 4.108 7.167 136 HG22 THR 20 HG22 THR 20 -4.137 2.543 7.956 137 HG23 THR 20 HG23 THR 20 -3.961 4.018 8.934 138 H ASP 21 H ASP 21 -4.344 6.271 6.858 139 HA ASP 21 HA ASP 21 -5.807 6.103 4.397 140 HB2 ASP 21 HB2 ASP 21 -5.690 8.405 3.702 141 HB3 ASP 21 HB3 ASP 21 -6.358 8.459 5.320 142 H ASP 22 H ASP 22 -4.003 7.553 2.677 143 HA ASP 22 HA ASP 22 -1.927 5.670 2.420 144 HB2 ASP 22 HB2 ASP 22 -0.822 7.130 0.852 145 HB3 ASP 22 HB3 ASP 22 -2.512 7.051 0.472 146 H ARG 23 H ARG 23 -1.979 8.648 4.369 147 HA ARG 23 HA ARG 23 0.731 9.115 4.766 148 HB2 ARG 23 HB2 ARG 23 -1.230 10.475 5.606 149 HB3 ARG 23 HB3 ARG 23 -1.438 9.296 6.895 150 HG2 ARG 23 HG2 ARG 23 0.890 9.823 7.695 151 HG3 ARG 23 HG3 ARG 23 0.991 11.070 6.443 152 HD2 ARG 23 HD2 ARG 23 -1.008 12.192 7.417 153 HD3 ARG 23 HD3 ARG 23 -1.092 10.968 8.682 154 HE ARG 23 HE ARG 23 0.763 13.221 8.505 155 HH11 ARG 23 HH11 ARG 23 0.314 10.096 10.108 156 HH12 ARG 23 HH12 ARG 23 1.530 10.530 11.318 157 HH21 ARG 23 HH21 ARG 23 2.224 13.599 10.022 158 HH22 ARG 23 HH22 ARG 23 2.525 12.412 11.297 159 H GLY 24 H GLY 24 -1.281 6.779 6.567 160 HA2 GLY 24 HA2 GLY 24 0.810 5.994 8.383 161 HA3 GLY 24 HA3 GLY 24 -0.751 5.193 8.152 162 H LEU 25 H LEU 25 -0.364 4.509 5.305 163 HA LEU 25 HA LEU 25 1.511 2.261 5.669 164 HB2 LEU 25 HB2 LEU 25 0.775 1.334 3.691 165 HB3 LEU 25 HB3 LEU 25 -0.645 1.969 4.452 166 HG LEU 25 HG LEU 25 -0.068 4.085 2.813 167 HD11 LEU 25 HD11 LEU 25 1.916 3.104 1.767 168 HD12 LEU 25 HD12 LEU 25 0.601 3.107 0.592 169 HD13 LEU 25 HD13 LEU 25 1.044 1.606 1.421 170 HD21 LEU 25 HD21 LEU 25 -1.665 3.083 1.182 171 HD22 LEU 25 HD22 LEU 25 -2.206 3.013 2.861 172 HD23 LEU 25 HD23 LEU 25 -1.563 1.549 2.083 173 H GLU 26 H GLU 26 1.523 5.340 3.868 174 HA GLU 26 HA GLU 26 3.966 5.034 2.469 175 HB2 GLU 26 HB2 GLU 26 2.288 6.862 2.168 176 HB3 GLU 26 HB3 GLU 26 2.748 7.516 3.744 177 HG2 GLU 26 HG2 GLU 26 5.137 7.728 2.713 178 HG3 GLU 26 HG3 GLU 26 4.334 7.455 1.160 179 H ALA 27 H ALA 27 3.393 6.208 5.856 180 HA ALA 27 HA ALA 27 6.166 6.686 6.393 181 HB1 ALA 27 HB1 ALA 27 4.251 7.629 7.687 182 HB2 ALA 27 HB2 ALA 27 3.877 6.012 8.313 183 HB3 ALA 27 HB3 ALA 27 5.412 6.803 8.738 184 H ALA 28 H ALA 28 4.203 3.713 6.770 185 HA ALA 28 HA ALA 28 6.291 2.249 8.141 186 HB1 ALA 28 HB1 ALA 28 3.929 1.611 8.299 187 HB2 ALA 28 HB2 ALA 28 3.879 1.274 6.556 188 HB3 ALA 28 HB3 ALA 28 4.881 0.276 7.636 189 H PHE 29 H PHE 29 5.346 2.499 4.682 190 HA PHE 29 HA PHE 29 7.419 0.692 3.745 191 HB2 PHE 29 HB2 PHE 29 5.447 2.589 2.436 192 HB3 PHE 29 HB3 PHE 29 6.749 1.881 1.507 193 HD1 PHE 29 HD1 PHE 29 4.145 0.601 3.970 194 HD2 PHE 29 HD2 PHE 29 6.208 0.052 0.227 195 HE1 PHE 29 HE1 PHE 29 2.827 -1.443 3.537 196 HE2 PHE 29 HE2 PHE 29 4.915 -2.022 -0.181 197 HZ PHE 29 HZ PHE 29 3.217 -2.772 1.475 198 H SER 30 H SER 30 7.320 4.235 4.195 199 HA SER 30 HA SER 30 9.611 4.924 2.709 200 HB2 SER 30 HB2 SER 30 7.964 6.486 3.704 201 HB3 SER 30 HB3 SER 30 8.591 6.111 5.322 202 HG SER 30 HG SER 30 9.476 7.972 4.583 203 H SER 31 H SER 31 9.489 3.160 5.742 204 HA SER 31 HA SER 31 12.286 3.635 6.413 205 HB2 SER 31 HB2 SER 31 10.462 1.474 7.486 206 HB3 SER 31 HB3 SER 31 11.943 2.120 8.221 207 HG SER 31 HG SER 31 10.462 3.308 9.219 208 H PHE 32 H PHE 32 10.761 1.557 4.120 209 HA PHE 32 HA PHE 32 12.940 -0.462 4.125 210 HB2 PHE 32 HB2 PHE 32 10.347 -0.189 2.569 211 HB3 PHE 32 HB3 PHE 32 11.584 -1.353 2.156 212 HD1 PHE 32 HD1 PHE 32 9.420 -0.293 5.052 213 HD2 PHE 32 HD2 PHE 32 11.651 -3.470 3.163 214 HE1 PHE 32 HE1 PHE 32 8.541 -1.902 6.720 215 HE2 PHE 32 HE2 PHE 32 10.745 -5.081 4.812 216 HZ PHE 32 HZ PHE 32 9.193 -4.300 6.598 217 H GLY 33 H GLY 33 12.013 2.449 2.348 218 HA2 GLY 33 HA2 GLY 33 14.549 2.867 1.246 219 HA3 GLY 33 HA3 GLY 33 13.619 2.037 0.003 220 H GLU 34 H GLU 34 14.286 4.236 -0.967 221 HA GLU 34 HA GLU 34 12.827 6.612 -0.290 222 HB2 GLU 34 HB2 GLU 34 14.336 5.737 -2.749 223 HB3 GLU 34 HB3 GLU 34 13.423 7.255 -2.717 224 HG2 GLU 34 HG2 GLU 34 14.696 8.010 -0.744 225 HG3 GLU 34 HG3 GLU 34 15.598 6.493 -0.729 226 H ILE 35 H ILE 35 10.819 6.941 -0.345 227 HA ILE 35 HA ILE 35 8.928 5.334 -1.875 228 HB ILE 35 HB ILE 35 8.830 5.861 0.604 229 HG12 ILE 35 HG12 ILE 35 6.382 6.249 0.724 230 HG13 ILE 35 HG13 ILE 35 6.344 6.510 -1.023 231 HG21 ILE 35 HG21 ILE 35 7.915 7.948 1.394 232 HG22 ILE 35 HG22 ILE 35 9.381 8.287 0.474 233 HG23 ILE 35 HG23 ILE 35 7.787 8.590 -0.253 234 HD11 ILE 35 HD11 ILE 35 7.085 4.193 -1.394 235 HD12 ILE 35 HD12 ILE 35 7.364 3.972 0.349 236 HD13 ILE 35 HD13 ILE 35 5.720 4.198 -0.265 237 H LEU 36 H LEU 36 7.407 6.072 -3.351 238 HA LEU 36 HA LEU 36 8.112 8.626 -4.731 239 HB2 LEU 36 HB2 LEU 36 8.628 6.397 -5.704 240 HB3 LEU 36 HB3 LEU 36 6.906 6.058 -5.809 241 HG LEU 36 HG LEU 36 8.256 8.371 -7.258 242 HD11 LEU 36 HD11 LEU 36 8.127 6.835 -9.235 243 HD12 LEU 36 HD12 LEU 36 7.589 5.536 -8.154 244 HD13 LEU 36 HD13 LEU 36 9.210 6.240 -7.965 245 HD21 LEU 36 HD21 LEU 36 5.543 7.012 -7.622 246 HD22 LEU 36 HD22 LEU 36 6.258 8.158 -8.772 247 HD23 LEU 36 HD23 LEU 36 5.848 8.702 -7.156 248 H ASP 37 H ASP 37 5.208 6.571 -4.191 249 HA ASP 37 HA ASP 37 3.463 8.800 -3.556 250 HB2 ASP 37 HB2 ASP 37 3.302 7.457 -6.277 251 HB3 ASP 37 HB3 ASP 37 1.848 8.033 -5.487 252 H ALA 38 H ALA 38 1.385 7.999 -2.681 253 HA ALA 38 HA ALA 38 0.801 5.140 -3.078 254 HB1 ALA 38 HB1 ALA 38 0.192 4.965 -0.639 255 HB2 ALA 38 HB2 ALA 38 1.933 5.151 -0.939 256 HB3 ALA 38 HB3 ALA 38 0.981 6.537 -0.378 257 H LYS 39 H LYS 39 -1.340 4.587 -2.985 258 HA LYS 39 HA LYS 39 -3.379 6.774 -3.237 259 HB2 LYS 39 HB2 LYS 39 -3.151 5.441 -5.235 260 HB3 LYS 39 HB3 LYS 39 -3.263 3.949 -4.334 261 HG2 LYS 39 HG2 LYS 39 -5.274 4.292 -5.573 262 HG3 LYS 39 HG3 LYS 39 -5.709 4.383 -3.875 263 HD2 LYS 39 HD2 LYS 39 -5.690 6.910 -4.063 264 HD3 LYS 39 HD3 LYS 39 -5.172 6.755 -5.749 265 HE2 LYS 39 HE2 LYS 39 -7.256 5.532 -6.289 266 HE3 LYS 39 HE3 LYS 39 -7.794 5.689 -4.609 267 HZ1 LYS 39 HZ1 LYS 39 -7.970 8.042 -4.872 268 HZ2 LYS 39 HZ2 LYS 39 -8.636 7.401 -6.254 269 HZ3 LYS 39 HZ3 LYS 39 -7.136 8.047 -6.274 270 H ILE 40 H ILE 40 -5.291 6.652 -2.124 271 HA ILE 40 HA ILE 40 -5.928 4.256 -0.525 272 HB ILE 40 HB ILE 40 -5.105 5.789 1.102 273 HG12 ILE 40 HG12 ILE 40 -7.334 4.460 1.408 274 HG13 ILE 40 HG13 ILE 40 -6.700 5.526 2.632 275 HG21 ILE 40 HG21 ILE 40 -5.205 7.936 0.036 276 HG22 ILE 40 HG22 ILE 40 -6.976 7.903 -0.033 277 HG23 ILE 40 HG23 ILE 40 -6.139 8.036 1.523 278 HD11 ILE 40 HD11 ILE 40 -9.168 5.723 2.353 279 HD12 ILE 40 HD12 ILE 40 -8.334 7.257 2.116 280 HD13 ILE 40 HD13 ILE 40 -8.929 6.347 0.714 281 H ILE 41 H ILE 41 -8.138 3.696 -0.654 282 HA ILE 41 HA ILE 41 -9.839 5.550 -2.232 283 HB ILE 41 HB ILE 41 -8.833 4.004 -3.747 284 HG12 ILE 41 HG12 ILE 41 -10.845 3.125 -4.891 285 HG13 ILE 41 HG13 ILE 41 -11.832 3.574 -3.506 286 HG21 ILE 41 HG21 ILE 41 -9.145 2.028 -1.812 287 HG22 ILE 41 HG22 ILE 41 -10.315 1.581 -3.056 288 HG23 ILE 41 HG23 ILE 41 -8.578 1.869 -3.477 289 HD11 ILE 41 HD11 ILE 41 -11.880 5.243 -5.380 290 HD12 ILE 41 HD12 ILE 41 -11.292 5.964 -3.875 291 HD13 ILE 41 HD13 ILE 41 -10.147 5.517 -5.162 292 H ASN 42 H ASN 42 -11.832 5.767 -1.928 293 HA ASN 42 HA ASN 42 -13.542 4.210 -0.179 294 HB2 ASN 42 HB2 ASN 42 -13.840 6.024 1.445 295 HB3 ASN 42 HB3 ASN 42 -12.182 5.471 1.457 296 HD21 ASN 42 HD21 ASN 42 -12.441 7.665 2.716 297 HD22 ASN 42 HD22 ASN 42 -11.940 9.069 1.777 298 H ASP 43 H ASP 43 -15.697 5.579 0.047 299 HA ASP 43 HA ASP 43 -15.855 7.792 -1.965 300 HB2 ASP 43 HB2 ASP 43 -17.382 5.903 -2.657 301 HB3 ASP 43 HB3 ASP 43 -18.221 6.081 -1.112 302 H ARG 44 H ARG 44 -15.970 9.712 -0.896 303 HA ARG 44 HA ARG 44 -16.908 9.891 1.890 304 HB2 ARG 44 HB2 ARG 44 -16.397 12.212 1.793 305 HB3 ARG 44 HB3 ARG 44 -15.065 11.297 1.097 306 HG2 ARG 44 HG2 ARG 44 -15.845 11.901 -1.186 307 HG3 ARG 44 HG3 ARG 44 -17.195 12.820 -0.500 308 HD2 ARG 44 HD2 ARG 44 -15.711 14.384 0.577 309 HD3 ARG 44 HD3 ARG 44 -14.306 13.390 0.227 310 HE ARG 44 HE ARG 44 -14.556 13.884 -2.164 311 HH11 ARG 44 HH11 ARG 44 -16.366 16.127 -0.113 312 HH12 ARG 44 HH12 ARG 44 -15.961 17.481 -1.151 313 HH21 ARG 44 HH21 ARG 44 -14.131 15.637 -3.364 314 HH22 ARG 44 HH22 ARG 44 -14.958 17.154 -3.089 315 H GLU 45 H GLU 45 -18.540 10.003 -1.158 316 HA GLU 45 HA GLU 45 -20.742 11.699 -0.241 317 HB2 GLU 45 HB2 GLU 45 -19.982 11.457 -2.632 318 HB3 GLU 45 HB3 GLU 45 -20.546 9.789 -2.584 319 HG2 GLU 45 HG2 GLU 45 -22.245 10.990 -3.678 320 HG3 GLU 45 HG3 GLU 45 -22.877 10.702 -2.060 321 H THR 46 H THR 46 -20.560 8.174 -1.050 322 HA THR 46 HA THR 46 -22.815 7.615 0.770 323 HB THR 46 HB THR 46 -22.666 5.307 0.014 324 HG1 THR 46 HG1 THR 46 -20.642 6.256 -1.755 325 HG21 THR 46 HG21 THR 46 -22.654 7.289 -2.297 326 HG22 THR 46 HG22 THR 46 -24.035 6.942 -1.245 327 HG23 THR 46 HG23 THR 46 -23.379 5.666 -2.283 328 H GLY 47 H GLY 47 -19.678 8.156 1.467 329 HA2 GLY 47 HA2 GLY 47 -18.677 8.108 3.488 330 HA3 GLY 47 HA3 GLY 47 -20.182 7.495 4.163 331 H ARG 48 H ARG 48 -18.083 5.835 1.820 332 HA ARG 48 HA ARG 48 -17.745 3.550 3.756 333 HB2 ARG 48 HB2 ARG 48 -17.807 2.156 1.596 334 HB3 ARG 48 HB3 ARG 48 -19.336 2.783 2.207 335 HG2 ARG 48 HG2 ARG 48 -19.552 4.391 0.555 336 HG3 ARG 48 HG3 ARG 48 -17.836 4.380 0.147 337 HD2 ARG 48 HD2 ARG 48 -19.240 3.387 -1.606 338 HD3 ARG 48 HD3 ARG 48 -17.960 2.341 -0.991 339 HE ARG 48 HE ARG 48 -19.569 0.911 -0.001 340 HH11 ARG 48 HH11 ARG 48 -21.385 3.662 -1.294 341 HH12 ARG 48 HH12 ARG 48 -22.847 2.687 -1.360 342 HH21 ARG 48 HH21 ARG 48 -21.384 -0.032 0.146 343 HH22 ARG 48 HH22 ARG 48 -22.906 0.738 -0.307 344 H SER 49 H SER 49 -15.660 3.125 4.280 345 HA SER 49 HA SER 49 -13.452 3.806 2.469 346 HB2 SER 49 HB2 SER 49 -13.326 1.973 4.887 347 HB3 SER 49 HB3 SER 49 -11.994 2.810 4.070 348 HG SER 49 HG SER 49 -14.022 3.724 5.735 349 H ARG 50 H ARG 50 -12.346 2.423 1.068 350 HA ARG 50 HA ARG 50 -13.512 -0.308 0.640 351 HB2 ARG 50 HB2 ARG 50 -11.439 1.101 -1.076 352 HB3 ARG 50 HB3 ARG 50 -12.312 -0.399 -1.403 353 HG2 ARG 50 HG2 ARG 50 -14.430 1.290 -1.115 354 HG3 ARG 50 HG3 ARG 50 -13.215 2.431 -1.657 355 HD2 ARG 50 HD2 ARG 50 -14.316 1.717 -3.623 356 HD3 ARG 50 HD3 ARG 50 -12.776 0.868 -3.628 357 HE ARG 50 HE ARG 50 -13.905 -1.158 -3.494 358 HH11 ARG 50 HH11 ARG 50 -16.415 1.339 -3.163 359 HH12 ARG 50 HH12 ARG 50 -17.631 0.065 -3.203 360 HH21 ARG 50 HH21 ARG 50 -15.575 -2.572 -3.345 361 HH22 ARG 50 HH22 ARG 50 -17.205 -1.919 -3.413 362 H GLY 51 H GLY 51 -10.688 1.338 1.887 363 HA2 GLY 51 HA2 GLY 51 -9.428 0.568 3.609 364 HA3 GLY 51 HA3 GLY 51 -10.049 -1.038 3.479 365 H PHE 52 H PHE 52 -8.630 0.500 0.652 366 HA PHE 52 HA PHE 52 -6.043 -0.825 1.005 367 HB2 PHE 52 HB2 PHE 52 -6.211 -2.039 -1.155 368 HB3 PHE 52 HB3 PHE 52 -7.236 -2.666 0.101 369 HD1 PHE 52 HD1 PHE 52 -7.229 -0.658 -3.054 370 HD2 PHE 52 HD2 PHE 52 -9.593 -2.853 -0.197 371 HE1 PHE 52 HE1 PHE 52 -9.157 -0.602 -4.604 372 HE2 PHE 52 HE2 PHE 52 -11.533 -2.780 -1.741 373 HZ PHE 52 HZ PHE 52 -11.316 -1.656 -3.960 374 H GLY 53 H GLY 53 -4.673 -0.513 -0.929 375 HA2 GLY 53 HA2 GLY 53 -5.030 1.999 -2.440 376 HA3 GLY 53 HA3 GLY 53 -3.795 1.960 -1.168 377 H PHE 54 H PHE 54 -2.729 2.550 -3.295 378 HA PHE 54 HA PHE 54 -1.148 0.179 -4.056 379 HB2 PHE 54 HB2 PHE 54 -1.638 2.598 -5.818 380 HB3 PHE 54 HB3 PHE 54 -0.481 1.317 -6.146 381 HD1 PHE 54 HD2 PHE 54 -1.511 -1.156 -6.158 382 HD2 PHE 54 HD1 PHE 54 -3.727 2.467 -6.905 383 HE1 PHE 54 HE2 PHE 54 -3.220 -2.454 -7.426 384 HE2 PHE 54 HE1 PHE 54 -5.405 1.176 -8.190 385 HZ PHE 54 HZ PHE 54 -5.146 -1.285 -8.466 386 H VAL 55 H VAL 55 1.170 0.680 -4.255 387 HA VAL 55 HA VAL 55 2.108 3.297 -3.284 388 HB VAL 55 HB VAL 55 1.737 2.068 -1.236 389 HG11 VAL 55 HG11 VAL 55 1.979 -0.259 -2.049 390 HG12 VAL 55 HG12 VAL 55 3.733 -0.009 -2.193 391 HG13 VAL 55 HG13 VAL 55 2.934 0.075 -0.605 392 HG21 VAL 55 HG21 VAL 55 3.858 2.353 -0.178 393 HG22 VAL 55 HG22 VAL 55 4.729 2.221 -1.715 394 HG23 VAL 55 HG23 VAL 55 3.677 3.623 -1.402 395 H SER 56 H SER 56 4.311 3.742 -3.796 396 HA SER 56 HA SER 56 5.611 1.871 -5.706 397 HB2 SER 56 HB2 SER 56 3.998 3.356 -6.875 398 HB3 SER 56 HB3 SER 56 4.929 4.761 -6.339 399 HG SER 56 HG SER 56 5.263 3.710 -8.500 400 H PHE 57 H PHE 57 7.741 2.338 -6.306 401 HA PHE 57 HA PHE 57 9.367 3.836 -4.270 402 HB2 PHE 57 HB2 PHE 57 9.675 1.030 -5.397 403 HB3 PHE 57 HB3 PHE 57 10.984 1.860 -4.599 404 HD1 PHE 57 HD2 PHE 57 10.806 2.558 -2.185 405 HD2 PHE 57 HD1 PHE 57 7.982 -0.095 -4.071 406 HE1 PHE 57 HE2 PHE 57 10.187 1.651 0.036 407 HE2 PHE 57 HE1 PHE 57 7.391 -1.033 -1.845 408 HZ PHE 57 HZ PHE 57 8.523 -0.182 0.207 409 H SER 58 H SER 58 11.647 4.222 -4.894 410 HA SER 58 HA SER 58 11.992 5.133 -7.654 411 HB2 SER 58 HB2 SER 58 14.114 5.970 -6.945 412 HB3 SER 58 HB3 SER 58 12.914 6.373 -5.704 413 HG SER 58 HG SER 58 15.169 5.195 -5.297 414 H ASN 59 H ASN 59 12.695 2.131 -6.016 415 HA ASN 59 HA ASN 59 14.056 1.064 -8.413 416 HB2 ASN 59 HB2 ASN 59 15.249 1.204 -5.609 417 HB3 ASN 59 HB3 ASN 59 15.755 -0.023 -6.754 418 HD21 ASN 59 HD21 ASN 59 16.196 1.004 -9.082 419 HD22 ASN 59 HD22 ASN 59 17.415 2.270 -8.967 420 H GLU 60 H GLU 60 14.321 -1.193 -8.440 421 HA GLU 60 HA GLU 60 12.098 -2.809 -7.613 422 HB2 GLU 60 HB2 GLU 60 13.449 -3.203 -9.609 423 HB3 GLU 60 HB3 GLU 60 14.899 -3.454 -8.641 424 HG2 GLU 60 HG2 GLU 60 14.035 -5.539 -7.746 425 HG3 GLU 60 HG3 GLU 60 12.452 -5.255 -8.489 426 H GLN 61 H GLN 61 15.273 -2.234 -6.117 427 HA GLN 61 HA GLN 61 15.363 -4.622 -4.602 428 HB2 GLN 61 HB2 GLN 61 16.746 -1.965 -4.056 429 HB3 GLN 61 HB3 GLN 61 17.209 -3.525 -3.370 430 HG2 GLN 61 HG2 GLN 61 17.289 -2.740 -6.318 431 HG3 GLN 61 HG3 GLN 61 18.671 -2.896 -5.247 432 HE21 GLN 61 HE21 GLN 61 18.342 -4.301 -7.740 433 HE22 GLN 61 HE22 GLN 61 18.291 -6.017 -7.326 434 H ALA 62 H ALA 62 14.431 -1.332 -3.417 435 HA ALA 62 HA ALA 62 13.591 -2.234 -0.836 436 HB1 ALA 62 HB1 ALA 62 14.087 0.099 -1.297 437 HB2 ALA 62 HB2 ALA 62 12.759 0.195 -2.483 438 HB3 ALA 62 HB3 ALA 62 12.410 -0.054 -0.758 439 H MET 63 H MET 63 11.870 -2.124 -3.972 440 HA MET 63 HA MET 63 9.269 -2.681 -2.897 441 HB2 MET 63 HB2 MET 63 9.670 -1.743 -5.124 442 HB3 MET 63 HB3 MET 63 10.416 -3.241 -5.667 443 HG2 MET 63 HG2 MET 63 7.574 -3.165 -4.606 444 HG3 MET 63 HG3 MET 63 7.960 -2.763 -6.278 445 HE1 MET 63 HE1 MET 63 6.298 -6.277 -6.676 446 HE2 MET 63 HE2 MET 63 5.866 -5.046 -5.469 447 HE3 MET 63 HE3 MET 63 6.250 -4.560 -7.142 448 H GLN 64 H GLN 64 11.813 -4.933 -4.162 449 HA GLN 64 HA GLN 64 10.206 -7.273 -3.565 450 HB2 GLN 64 HB2 GLN 64 13.165 -6.940 -4.210 451 HB3 GLN 64 HB3 GLN 64 12.365 -8.496 -3.919 452 HG2 GLN 64 HG2 GLN 64 10.755 -7.992 -5.769 453 HG3 GLN 64 HG3 GLN 64 11.659 -6.528 -6.142 454 HE21 GLN 64 HE21 GLN 64 11.154 -9.291 -7.556 455 HE22 GLN 64 HE22 GLN 64 12.768 -9.618 -8.190 456 H ASP 65 H ASP 65 12.739 -5.519 -1.763 457 HA ASP 65 HA ASP 65 12.885 -7.362 0.454 458 HB2 ASP 65 HB2 ASP 65 14.593 -5.616 -0.082 459 HB3 ASP 65 HB3 ASP 65 13.424 -4.361 0.346 460 H ALA 66 H ALA 66 10.666 -4.682 -0.342 461 HA ALA 66 HA ALA 66 9.297 -4.782 2.216 462 HB1 ALA 66 HB1 ALA 66 9.178 -2.785 0.823 463 HB2 ALA 66 HB2 ALA 66 8.365 -3.691 -0.469 464 HB3 ALA 66 HB3 ALA 66 7.560 -3.453 1.097 465 H ILE 67 H ILE 67 8.295 -6.072 -1.030 466 HA ILE 67 HA ILE 67 6.056 -7.503 -0.143 467 HB ILE 67 HB ILE 67 7.936 -8.171 -2.429 468 HG12 ILE 67 HG12 ILE 67 6.941 -5.893 -2.598 469 HG13 ILE 67 HG13 ILE 67 6.442 -6.972 -3.877 470 HG21 ILE 67 HG21 ILE 67 5.865 -9.226 -3.473 471 HG22 ILE 67 HG22 ILE 67 6.605 -10.137 -2.148 472 HG23 ILE 67 HG23 ILE 67 5.123 -9.196 -1.862 473 HD11 ILE 67 HD11 ILE 67 4.230 -7.233 -2.791 474 HD12 ILE 67 HD12 ILE 67 4.775 -6.181 -1.453 475 HD13 ILE 67 HD13 ILE 67 4.623 -5.539 -3.094 476 H GLU 68 H GLU 68 9.440 -8.694 -0.096 477 HA GLU 68 HA GLU 68 9.011 -11.326 0.832 478 HB2 GLU 68 HB2 GLU 68 11.166 -10.363 0.079 479 HB3 GLU 68 HB3 GLU 68 11.265 -9.418 1.569 480 HG2 GLU 68 HG2 GLU 68 11.371 -11.501 2.890 481 HG3 GLU 68 HG3 GLU 68 11.125 -12.461 1.430 482 H GLY 69 H GLY 69 9.171 -8.316 2.788 483 HA2 GLY 69 HA2 GLY 69 8.651 -9.794 5.310 484 HA3 GLY 69 HA3 GLY 69 9.022 -8.083 5.123 485 H MET 70 H MET 70 6.849 -7.830 3.001 486 HA MET 70 HA MET 70 4.974 -6.760 4.842 487 HB2 MET 70 HB2 MET 70 5.157 -6.890 1.836 488 HB3 MET 70 HB3 MET 70 3.659 -6.311 2.558 489 HG2 MET 70 HG2 MET 70 6.448 -5.197 3.119 490 HG3 MET 70 HG3 MET 70 5.285 -4.485 2.016 491 HE1 MET 70 HE1 MET 70 6.958 -3.283 4.654 492 HE2 MET 70 HE2 MET 70 6.080 -2.291 3.472 493 HE3 MET 70 HE3 MET 70 5.747 -2.104 5.209 494 H ASN 71 H ASN 71 4.672 -9.782 2.910 495 HA ASN 71 HA ASN 71 1.881 -10.018 3.158 496 HB2 ASN 71 HB2 ASN 71 3.406 -11.559 1.878 497 HB3 ASN 71 HB3 ASN 71 3.842 -12.332 3.401 498 HD21 ASN 71 HD21 ASN 71 2.973 -14.233 2.145 499 HD22 ASN 71 HD22 ASN 71 1.235 -14.517 2.124 500 H GLY 72 H GLY 72 0.697 -9.638 4.933 501 HA2 GLY 72 HA2 GLY 72 -0.350 -10.174 6.910 502 HA3 GLY 72 HA3 GLY 72 0.875 -11.387 7.279 503 H LYS 73 H LYS 73 2.373 -8.314 6.601 504 HA LYS 73 HA LYS 73 3.251 -8.096 9.353 505 HB2 LYS 73 HB2 LYS 73 4.500 -7.307 7.258 506 HB3 LYS 73 HB3 LYS 73 3.477 -5.854 7.311 507 HG2 LYS 73 HG2 LYS 73 4.311 -5.294 9.544 508 HG3 LYS 73 HG3 LYS 73 5.159 -6.837 9.653 509 HD2 LYS 73 HD2 LYS 73 6.509 -6.090 7.595 510 HD3 LYS 73 HD3 LYS 73 5.840 -4.475 7.863 511 HE2 LYS 73 HE2 LYS 73 7.486 -6.126 9.845 512 HE3 LYS 73 HE3 LYS 73 8.101 -4.789 8.871 513 HZ1 LYS 73 HZ1 LYS 73 6.042 -4.563 11.001 514 HZ2 LYS 73 HZ2 LYS 73 6.547 -3.312 10.053 515 HZ3 LYS 73 HZ3 LYS 73 7.567 -4.028 11.109 516 H GLU 74 H GLU 74 2.612 -6.764 11.016 517 HA GLU 74 HA GLU 74 -0.127 -5.754 10.811 518 HB2 GLU 74 HB2 GLU 74 0.098 -5.290 13.219 519 HB3 GLU 74 HB3 GLU 74 0.222 -6.974 12.741 520 HG2 GLU 74 HG2 GLU 74 2.751 -5.371 13.183 521 HG3 GLU 74 HG3 GLU 74 1.828 -5.961 14.559 522 H LEU 75 H LEU 75 -0.339 -3.929 9.682 523 HA LEU 75 HA LEU 75 1.213 -1.490 10.485 524 HB2 LEU 75 HB2 LEU 75 0.262 -2.513 7.827 525 HB3 LEU 75 HB3 LEU 75 0.148 -0.784 8.120 526 HG LEU 75 HG LEU 75 2.527 -0.588 8.537 527 HD11 LEU 75 HD11 LEU 75 2.683 -3.569 7.945 528 HD12 LEU 75 HD12 LEU 75 3.113 -2.752 9.468 529 HD13 LEU 75 HD13 LEU 75 4.078 -2.468 8.022 530 HD21 LEU 75 HD21 LEU 75 1.980 -2.180 6.005 531 HD22 LEU 75 HD22 LEU 75 3.318 -1.062 6.256 532 HD23 LEU 75 HD23 LEU 75 1.658 -0.437 6.205 533 H ASP 76 H ASP 76 0.086 0.221 11.209 534 HA ASP 76 HA ASP 76 -1.606 1.272 12.324 535 HB2 ASP 76 HB2 ASP 76 -2.122 1.732 9.872 536 HB3 ASP 76 HB3 ASP 76 -3.416 0.541 9.995 537 H GLY 77 H GLY 77 -1.255 -1.536 13.038 538 HA2 GLY 77 HA2 GLY 77 -2.197 -2.994 14.557 539 HA3 GLY 77 HA3 GLY 77 -3.634 -1.981 14.657 540 H ARG 78 H ARG 78 -2.828 -2.996 11.431 541 HA ARG 78 HA ARG 78 -4.670 -5.356 11.497 542 HB2 ARG 78 HB2 ARG 78 -4.468 -3.061 9.494 543 HB3 ARG 78 HB3 ARG 78 -5.449 -4.505 9.243 544 HG2 ARG 78 HG2 ARG 78 -5.839 -2.590 11.597 545 HG3 ARG 78 HG3 ARG 78 -6.667 -2.447 10.063 546 HD2 ARG 78 HD2 ARG 78 -7.640 -4.710 10.348 547 HD3 ARG 78 HD3 ARG 78 -6.759 -4.927 11.857 548 HE ARG 78 HE ARG 78 -9.093 -3.150 11.382 549 HH11 ARG 78 HH11 ARG 78 -6.729 -4.229 13.772 550 HH12 ARG 78 HH12 ARG 78 -7.780 -3.774 15.094 551 HH21 ARG 78 HH21 ARG 78 -10.199 -2.429 13.038 552 HH22 ARG 78 HH22 ARG 78 -9.619 -2.618 14.686 553 H SER 79 H SER 79 -4.224 -7.029 10.108 554 HA SER 79 HA SER 79 -1.459 -7.320 9.208 555 HB2 SER 79 HB2 SER 79 -2.139 -9.497 8.358 556 HB3 SER 79 HB3 SER 79 -2.621 -9.248 10.033 557 HG SER 79 HG SER 79 -4.751 -8.548 8.976 558 H ILE 80 H ILE 80 -0.598 -6.694 7.326 559 HA ILE 80 HA ILE 80 -2.412 -5.716 5.253 560 HB ILE 80 HB ILE 80 -0.538 -4.374 6.250 561 HG12 ILE 80 HG12 ILE 80 -0.566 -4.482 3.206 562 HG13 ILE 80 HG13 ILE 80 -1.901 -3.856 4.169 563 HG21 ILE 80 HG21 ILE 80 1.248 -6.136 5.986 564 HG22 ILE 80 HG22 ILE 80 1.203 -5.867 4.240 565 HG23 ILE 80 HG23 ILE 80 1.695 -4.559 5.333 566 HD11 ILE 80 HD11 ILE 80 -0.311 -2.228 5.254 567 HD12 ILE 80 HD12 ILE 80 0.897 -2.724 4.033 568 HD13 ILE 80 HD13 ILE 80 -0.628 -1.966 3.540 569 H VAL 81 H VAL 81 -2.427 -6.169 3.141 570 HA VAL 81 HA VAL 81 -1.308 -8.832 2.313 571 HB VAL 81 HB VAL 81 -3.969 -7.527 1.613 572 HG11 VAL 81 HG11 VAL 81 -2.774 -10.154 0.620 573 HG12 VAL 81 HG12 VAL 81 -4.442 -9.602 0.357 574 HG13 VAL 81 HG13 VAL 81 -3.106 -8.715 -0.374 575 HG21 VAL 81 HG21 VAL 81 -3.253 -10.088 3.114 576 HG22 VAL 81 HG22 VAL 81 -3.952 -8.616 3.829 577 HG23 VAL 81 HG23 VAL 81 -4.903 -9.572 2.688 578 H VAL 82 H VAL 82 -0.215 -8.925 0.433 579 HA VAL 82 HA VAL 82 0.150 -6.375 -1.078 580 HB VAL 82 HB VAL 82 2.535 -6.804 -1.195 581 HG11 VAL 82 HG11 VAL 82 1.513 -6.140 1.577 582 HG12 VAL 82 HG12 VAL 82 2.938 -5.483 0.708 583 HG13 VAL 82 HG13 VAL 82 1.322 -5.064 0.179 584 HG21 VAL 82 HG21 VAL 82 3.657 -8.045 0.549 585 HG22 VAL 82 HG22 VAL 82 2.107 -8.517 1.282 586 HG23 VAL 82 HG23 VAL 82 2.584 -9.147 -0.308 587 H ASN 83 H ASN 83 0.517 -6.497 -3.236 588 HA ASN 83 HA ASN 83 1.812 -8.779 -4.431 589 HB2 ASN 83 HB2 ASN 83 0.139 -9.180 -6.240 590 HB3 ASN 83 HB3 ASN 83 -0.393 -9.735 -4.657 591 HD21 ASN 83 HD21 ASN 83 -0.842 -7.060 -7.048 592 HD22 ASN 83 HD22 ASN 83 -2.480 -6.742 -6.489 593 H GLU 84 H GLU 84 2.572 -8.313 -6.626 594 HA GLU 84 HA GLU 84 3.170 -5.595 -7.177 595 HB2 GLU 84 HB2 GLU 84 4.014 -6.318 -9.300 596 HB3 GLU 84 HB3 GLU 84 4.428 -7.496 -8.072 597 HG2 GLU 84 HG2 GLU 84 3.822 -8.862 -9.815 598 HG3 GLU 84 HG3 GLU 84 2.341 -8.827 -8.857 599 H ALA 85 H ALA 85 2.248 -4.069 -8.659 600 HA ALA 85 HA ALA 85 -0.564 -4.644 -9.504 601 HB1 ALA 85 HB1 ALA 85 -0.419 -3.184 -7.542 602 HB2 ALA 85 HB2 ALA 85 0.635 -2.062 -8.441 603 HB3 ALA 85 HB3 ALA 85 -1.046 -2.311 -8.948 604 H GLN 86 H GLN 86 2.401 -4.294 -10.945 605 HA GLN 86 HA GLN 86 1.802 -2.181 -12.858 606 HB2 GLN 86 HB2 GLN 86 4.116 -2.964 -12.063 607 HB3 GLN 86 HB3 GLN 86 3.901 -4.347 -13.134 608 HG2 GLN 86 HG2 GLN 86 3.467 -2.544 -15.001 609 HG3 GLN 86 HG3 GLN 86 4.154 -1.403 -13.843 610 HE21 GLN 86 HE21 GLN 86 6.414 -2.188 -12.912 611 HE22 GLN 86 HE22 GLN 86 7.429 -3.119 -14.018 612 H SER 87 H SER 87 1.173 -5.669 -12.756 613 HA SER 87 HA SER 87 0.377 -5.941 -15.529 614 HB2 SER 87 HB2 SER 87 -0.731 -8.004 -14.730 615 HB3 SER 87 HB3 SER 87 0.941 -7.874 -14.165 616 HG SER 87 HG SER 87 0.270 -7.881 -12.189 617 H ARG 88 H ARG 88 -1.131 -4.319 -12.918 618 HA ARG 88 HA ARG 88 -3.908 -4.859 -13.775 619 HB2 ARG 88 HB2 ARG 88 -2.991 -3.330 -11.321 620 HB3 ARG 88 HB3 ARG 88 -4.565 -4.039 -11.613 621 HG2 ARG 88 HG2 ARG 88 -1.962 -5.552 -11.122 622 HG3 ARG 88 HG3 ARG 88 -3.270 -5.318 -9.971 623 HD2 ARG 88 HD2 ARG 88 -3.487 -6.854 -12.592 624 HD3 ARG 88 HD3 ARG 88 -3.252 -7.558 -10.986 625 HE ARG 88 HE ARG 88 -5.443 -6.394 -10.362 626 HH11 ARG 88 HH11 ARG 88 -5.013 -7.592 -13.695 627 HH12 ARG 88 HH12 ARG 88 -6.741 -7.600 -13.922 628 HH21 ARG 88 HH21 ARG 88 -7.559 -6.907 -10.687 629 HH22 ARG 88 HH22 ARG 88 -8.059 -7.525 -12.241 630 H GLY 89 H GLY 89 -2.055 -2.893 -15.248 631 HA2 GLY 89 HA2 GLY 89 -3.361 -1.280 -16.617 632 HA3 GLY 89 HA3 GLY 89 -3.859 -0.506 -15.118 633 H TYR 90 H TYR 90 -2.713 0.832 -17.204 634 HA TYR 90 HA TYR 90 -0.195 1.893 -16.013 635 HB2 TYR 90 HB2 TYR 90 0.866 1.952 -18.189 636 HB3 TYR 90 HB3 TYR 90 0.462 0.305 -17.740 637 HD1 TYR 90 HD2 TYR 90 -0.385 3.134 -19.991 638 HD2 TYR 90 HD1 TYR 90 -1.159 -1.001 -19.027 639 HE1 TYR 90 HE2 TYR 90 -1.632 2.875 -22.113 640 HE2 TYR 90 HE1 TYR 90 -2.412 -1.259 -21.156 641 HH TYR 90 HH TYR 90 -2.938 1.523 -23.366 642 H GLY 91 H GLY 91 -3.292 2.692 -17.081 643 HA2 GLY 91 HA2 GLY 91 -2.692 5.243 -18.363 644 HA3 GLY 91 HA3 GLY 91 -4.265 4.662 -17.815 645 H GLY 92 H GLY 92 -2.678 4.265 -15.097 646 HA2 GLY 92 HA2 GLY 92 -2.136 6.847 -13.984 647 HA3 GLY 92 HA3 GLY 92 -3.796 6.374 -13.616 Start of MODEL 5 1 H1 MET 1 H1 MET 1 10.955 -10.979 -9.022 2 H2 MET 1 H2 MET 1 10.356 -11.515 -10.442 3 H3 MET 1 H3 MET 1 9.454 -11.681 -9.101 4 HA MET 1 HA MET 1 8.668 -9.886 -10.520 5 HB2 MET 1 HB2 MET 1 9.741 -8.930 -7.841 6 HB3 MET 1 HB3 MET 1 8.530 -8.115 -8.829 7 HG2 MET 1 HG2 MET 1 7.322 -9.209 -7.166 8 HG3 MET 1 HG3 MET 1 7.048 -10.118 -8.647 9 HE1 MET 1 HE1 MET 1 6.744 -12.801 -5.812 10 HE2 MET 1 HE2 MET 1 6.346 -11.081 -5.606 11 HE3 MET 1 HE3 MET 1 5.926 -11.917 -7.118 12 H ALA 2 H ALA 2 10.891 -10.170 -12.023 13 HA ALA 2 HA ALA 2 12.666 -7.872 -11.697 14 HB1 ALA 2 HB1 ALA 2 13.447 -10.021 -12.578 15 HB2 ALA 2 HB2 ALA 2 12.329 -9.895 -13.952 16 HB3 ALA 2 HB3 ALA 2 13.661 -8.730 -13.774 17 H GLU 3 H GLU 3 11.198 -6.123 -11.674 18 HA GLU 3 HA GLU 3 9.705 -5.432 -14.121 19 HB2 GLU 3 HB2 GLU 3 10.052 -3.800 -11.595 20 HB3 GLU 3 HB3 GLU 3 8.906 -3.482 -12.893 21 HG2 GLU 3 HG2 GLU 3 8.883 -5.895 -11.016 22 HG3 GLU 3 HG3 GLU 3 7.885 -4.466 -10.868 23 H SER 4 H SER 4 11.219 -5.255 -15.661 24 HA SER 4 HA SER 4 13.535 -3.554 -15.631 25 HB2 SER 4 HB2 SER 4 11.913 -4.643 -17.956 26 HB3 SER 4 HB3 SER 4 13.568 -4.018 -18.050 27 HG SER 4 HG SER 4 14.324 -5.706 -16.913 28 H ASP 5 H ASP 5 13.737 -1.876 -17.582 29 HA ASP 5 HA ASP 5 12.641 0.493 -16.756 30 HB2 ASP 5 HB2 ASP 5 14.616 -0.039 -18.326 31 HB3 ASP 5 HB3 ASP 5 13.449 -0.029 -19.643 32 H GLY 6 H GLY 6 11.221 -1.536 -19.358 33 HA2 GLY 6 HA2 GLY 6 9.094 0.327 -20.013 34 HA3 GLY 6 HA3 GLY 6 9.213 -1.369 -20.484 35 H ALA 7 H ALA 7 9.434 -1.828 -17.334 36 HA ALA 7 HA ALA 7 6.514 -2.261 -16.978 37 HB1 ALA 7 HB1 ALA 7 8.902 -3.447 -15.514 38 HB2 ALA 7 HB2 ALA 7 7.211 -3.968 -15.392 39 HB3 ALA 7 HB3 ALA 7 8.084 -4.186 -16.909 40 H GLU 8 H GLU 8 6.315 -2.462 -14.238 41 HA GLU 8 HA GLU 8 6.985 0.236 -13.169 42 HB2 GLU 8 HB2 GLU 8 4.255 -1.087 -13.273 43 HB3 GLU 8 HB3 GLU 8 4.625 0.275 -12.231 44 HG2 GLU 8 HG2 GLU 8 4.970 0.446 -15.250 45 HG3 GLU 8 HG3 GLU 8 3.434 0.734 -14.451 46 H TYR 9 H TYR 9 7.839 0.181 -11.200 47 HA TYR 9 HA TYR 9 7.509 -2.222 -9.457 48 HB2 TYR 9 HB2 TYR 9 9.348 -0.937 -8.122 49 HB3 TYR 9 HB3 TYR 9 9.706 -1.962 -9.485 50 HD1 TYR 9 HD1 TYR 9 9.454 1.582 -8.414 51 HD2 TYR 9 HD2 TYR 9 10.697 -1.146 -11.503 52 HE1 TYR 9 HE1 TYR 9 10.653 3.446 -9.584 53 HE2 TYR 9 HE2 TYR 9 11.943 0.671 -12.616 54 HH TYR 9 HH TYR 9 11.733 4.087 -11.514 55 H ARG 10 H ARG 10 5.393 -1.826 -9.119 56 HA ARG 10 HA ARG 10 4.887 -0.244 -6.685 57 HB2 ARG 10 HB2 ARG 10 2.700 0.543 -7.503 58 HB3 ARG 10 HB3 ARG 10 4.050 1.234 -8.392 59 HG2 ARG 10 HG2 ARG 10 3.606 -0.238 -10.303 60 HG3 ARG 10 HG3 ARG 10 2.365 -1.099 -9.417 61 HD2 ARG 10 HD2 ARG 10 1.381 0.539 -10.990 62 HD3 ARG 10 HD3 ARG 10 0.947 0.872 -9.307 63 HE ARG 10 HE ARG 10 3.314 2.289 -10.403 64 HH11 ARG 10 HH11 ARG 10 -0.106 2.765 -9.681 65 HH12 ARG 10 HH12 ARG 10 0.215 4.431 -9.216 66 HH21 ARG 10 HH21 ARG 10 3.517 4.348 -10.044 67 HH22 ARG 10 HH22 ARG 10 2.227 5.314 -9.388 68 H CYS 11 H CYS 11 3.144 -1.034 -5.413 69 HA CYS 11 HA CYS 11 2.078 -3.681 -6.208 70 HB2 CYS 11 HB2 CYS 11 2.950 -4.892 -4.482 71 HB3 CYS 11 HB3 CYS 11 4.253 -3.753 -4.727 72 HG CYS 11 HG CYS 11 1.781 -3.618 -2.487 73 H PHE 12 H PHE 12 0.231 -4.376 -5.106 74 HA PHE 12 HA PHE 12 -1.639 -2.284 -4.231 75 HB2 PHE 12 HB2 PHE 12 -2.307 -4.212 -5.625 76 HB3 PHE 12 HB3 PHE 12 -1.811 -5.309 -4.343 77 HD1 PHE 12 HD2 PHE 12 -4.170 -2.451 -5.019 78 HD2 PHE 12 HD1 PHE 12 -3.408 -6.064 -2.787 79 HE1 PHE 12 HE2 PHE 12 -6.494 -2.408 -4.154 80 HE2 PHE 12 HE1 PHE 12 -5.732 -6.007 -1.911 81 HZ PHE 12 HZ PHE 12 -7.283 -4.187 -2.607 82 H VAL 13 H VAL 13 -2.529 -2.126 -2.162 83 HA VAL 13 HA VAL 13 -1.186 -3.530 0.108 84 HB VAL 13 HB VAL 13 -1.593 -0.506 -0.128 85 HG11 VAL 13 HG11 VAL 13 -0.467 -2.227 2.115 86 HG12 VAL 13 HG12 VAL 13 -0.328 -0.454 2.032 87 HG13 VAL 13 HG13 VAL 13 -1.924 -1.212 2.184 88 HG21 VAL 13 HG21 VAL 13 0.381 -1.151 -1.405 89 HG22 VAL 13 HG22 VAL 13 0.872 -0.369 0.101 90 HG23 VAL 13 HG23 VAL 13 0.976 -2.139 -0.051 91 H GLY 14 H GLY 14 -2.929 -4.685 0.824 92 HA2 GLY 14 HA2 GLY 14 -5.506 -3.205 1.333 93 HA3 GLY 14 HA3 GLY 14 -5.355 -4.950 1.174 94 H SER 15 H SER 15 -5.827 -2.569 3.345 95 HA SER 15 HA SER 15 -5.529 -4.153 5.707 96 HB2 SER 15 HB2 SER 15 -3.710 -2.810 6.838 97 HB3 SER 15 HB3 SER 15 -3.138 -3.867 5.544 98 HG SER 15 HG SER 15 -2.283 -1.703 5.498 99 H LEU 16 H LEU 16 -6.245 -1.073 4.214 100 HA LEU 16 HA LEU 16 -6.226 0.479 6.631 101 HB2 LEU 16 HB2 LEU 16 -7.466 1.285 4.001 102 HB3 LEU 16 HB3 LEU 16 -6.856 2.362 5.222 103 HG LEU 16 HG LEU 16 -5.269 0.569 3.347 104 HD11 LEU 16 HD11 LEU 16 -6.363 2.714 2.595 105 HD12 LEU 16 HD12 LEU 16 -4.591 2.651 2.383 106 HD13 LEU 16 HD13 LEU 16 -5.299 3.586 3.716 107 HD21 LEU 16 HD21 LEU 16 -3.232 1.545 4.258 108 HD22 LEU 16 HD22 LEU 16 -4.081 0.680 5.546 109 HD23 LEU 16 HD23 LEU 16 -4.160 2.456 5.467 110 H SER 17 H SER 17 -7.958 1.966 7.141 111 HA SER 17 HA SER 17 -10.756 1.080 7.042 112 HB2 SER 17 HB2 SER 17 -9.131 1.069 9.618 113 HB3 SER 17 HB3 SER 17 -10.880 1.352 9.599 114 HG SER 17 HG SER 17 -9.537 -1.000 8.737 115 H TRP 18 H TRP 18 -12.101 2.819 8.327 116 HA TRP 18 HA TRP 18 -11.745 5.170 6.952 117 HB2 TRP 18 HB2 TRP 18 -13.536 6.090 8.233 118 HB3 TRP 18 HB3 TRP 18 -13.846 4.401 7.913 119 HD1 TRP 18 HD1 TRP 18 -14.323 2.870 9.914 120 HE1 TRP 18 HE1 TRP 18 -14.578 3.184 12.451 121 HE3 TRP 18 HE3 TRP 18 -12.427 7.627 10.351 122 HZ2 TRP 18 HZ2 TRP 18 -14.086 5.241 14.398 123 HZ3 TRP 18 HZ3 TRP 18 -12.345 8.728 12.580 124 HH2 TRP 18 HH2 TRP 18 -13.164 7.548 14.597 125 H ASN 19 H ASN 19 -10.200 4.562 10.097 126 HA ASN 19 HA ASN 19 -9.402 7.392 10.316 127 HB2 ASN 19 HB2 ASN 19 -10.106 5.928 12.272 128 HB3 ASN 19 HB3 ASN 19 -8.575 5.073 12.077 129 HD21 ASN 19 HD21 ASN 19 -6.632 6.125 12.757 130 HD22 ASN 19 HD22 ASN 19 -6.688 7.628 13.671 131 H THR 20 H THR 20 -7.939 4.439 9.025 132 HA THR 20 HA THR 20 -5.218 5.542 8.957 133 HB THR 20 HB THR 20 -5.929 3.387 7.026 134 HG1 THR 20 HG1 THR 20 -5.658 2.615 9.710 135 HG21 THR 20 HG21 THR 20 -3.854 2.377 7.987 136 HG22 THR 20 HG22 THR 20 -3.717 3.769 9.084 137 HG23 THR 20 HG23 THR 20 -3.600 4.000 7.328 138 H ASP 21 H ASP 21 -4.099 6.140 6.944 139 HA ASP 21 HA ASP 21 -5.640 6.161 4.520 140 HB2 ASP 21 HB2 ASP 21 -5.333 8.616 4.032 141 HB3 ASP 21 HB3 ASP 21 -6.369 8.329 5.411 142 H ASP 22 H ASP 22 -3.972 7.749 2.880 143 HA ASP 22 HA ASP 22 -1.935 5.963 2.175 144 HB2 ASP 22 HB2 ASP 22 -0.924 7.930 0.908 145 HB3 ASP 22 HB3 ASP 22 -2.529 7.459 0.467 146 H ARG 23 H ARG 23 -1.711 8.607 4.524 147 HA ARG 23 HA ARG 23 1.178 8.780 4.449 148 HB2 ARG 23 HB2 ARG 23 -0.636 10.481 5.255 149 HB3 ARG 23 HB3 ARG 23 -0.539 9.624 6.800 150 HG2 ARG 23 HG2 ARG 23 1.965 10.096 6.795 151 HG3 ARG 23 HG3 ARG 23 1.722 11.012 5.288 152 HD2 ARG 23 HD2 ARG 23 -0.030 12.375 6.535 153 HD3 ARG 23 HD3 ARG 23 0.521 11.583 8.027 154 HE ARG 23 HE ARG 23 2.820 12.655 6.745 155 HH11 ARG 23 HH11 ARG 23 -0.125 13.963 8.168 156 HH12 ARG 23 HH12 ARG 23 0.597 15.552 8.339 157 HH21 ARG 23 HH21 ARG 23 3.645 14.575 7.028 158 HH22 ARG 23 HH22 ARG 23 2.696 15.877 7.778 159 H GLY 24 H GLY 24 -1.041 6.776 6.285 160 HA2 GLY 24 HA2 GLY 24 0.919 5.892 8.232 161 HA3 GLY 24 HA3 GLY 24 -0.702 5.212 7.959 162 H LEU 25 H LEU 25 -0.200 4.587 5.097 163 HA LEU 25 HA LEU 25 1.661 2.317 5.376 164 HB2 LEU 25 HB2 LEU 25 1.023 1.525 3.310 165 HB3 LEU 25 HB3 LEU 25 -0.433 2.059 4.092 166 HG LEU 25 HG LEU 25 0.036 4.282 2.626 167 HD11 LEU 25 HD11 LEU 25 0.845 3.589 0.362 168 HD12 LEU 25 HD12 LEU 25 1.272 2.000 1.018 169 HD13 LEU 25 HD13 LEU 25 2.126 3.451 1.571 170 HD21 LEU 25 HD21 LEU 25 -2.012 2.953 2.541 171 HD22 LEU 25 HD22 LEU 25 -1.201 1.734 1.529 172 HD23 LEU 25 HD23 LEU 25 -1.472 3.375 0.913 173 H GLU 26 H GLU 26 1.734 5.547 3.694 174 HA GLU 26 HA GLU 26 4.252 5.158 2.504 175 HB2 GLU 26 HB2 GLU 26 2.744 7.133 2.107 176 HB3 GLU 26 HB3 GLU 26 3.275 7.802 3.660 177 HG2 GLU 26 HG2 GLU 26 5.654 7.688 2.811 178 HG3 GLU 26 HG3 GLU 26 5.043 7.133 1.262 179 H ALA 27 H ALA 27 3.630 6.429 5.862 180 HA ALA 27 HA ALA 27 6.409 6.820 6.406 181 HB1 ALA 27 HB1 ALA 27 5.662 7.092 8.725 182 HB2 ALA 27 HB2 ALA 27 4.570 7.935 7.615 183 HB3 ALA 27 HB3 ALA 27 4.083 6.375 8.327 184 H ALA 28 H ALA 28 4.308 3.985 7.001 185 HA ALA 28 HA ALA 28 6.290 2.447 8.407 186 HB1 ALA 28 HB1 ALA 28 3.870 2.115 8.663 187 HB2 ALA 28 HB2 ALA 28 3.732 1.643 6.955 188 HB3 ALA 28 HB3 ALA 28 4.632 0.622 8.097 189 H PHE 29 H PHE 29 5.598 2.818 4.938 190 HA PHE 29 HA PHE 29 7.455 0.639 4.203 191 HB2 PHE 29 HB2 PHE 29 5.706 2.588 2.659 192 HB3 PHE 29 HB3 PHE 29 6.943 1.649 1.865 193 HD1 PHE 29 HD1 PHE 29 4.221 0.771 4.397 194 HD2 PHE 29 HD2 PHE 29 6.098 -0.063 0.611 195 HE1 PHE 29 HE1 PHE 29 2.616 -1.060 4.000 196 HE2 PHE 29 HE2 PHE 29 4.536 -1.956 0.259 197 HZ PHE 29 HZ PHE 29 2.763 -2.430 1.933 198 H SER 30 H SER 30 7.619 4.126 4.590 199 HA SER 30 HA SER 30 9.696 4.713 2.843 200 HB2 SER 30 HB2 SER 30 9.005 6.000 5.506 201 HB3 SER 30 HB3 SER 30 10.196 6.663 4.376 202 HG SER 30 HG SER 30 7.448 6.145 3.832 203 H SER 31 H SER 31 10.087 2.879 5.806 204 HA SER 31 HA SER 31 12.926 3.484 6.164 205 HB2 SER 31 HB2 SER 31 11.329 1.099 7.164 206 HB3 SER 31 HB3 SER 31 12.941 1.595 7.702 207 HG SER 31 HG SER 31 11.777 3.727 8.144 208 H PHE 32 H PHE 32 11.196 1.339 3.999 209 HA PHE 32 HA PHE 32 13.585 -0.312 3.421 210 HB2 PHE 32 HB2 PHE 32 10.811 -0.218 2.180 211 HB3 PHE 32 HB3 PHE 32 12.087 -1.338 1.724 212 HD1 PHE 32 HD2 PHE 32 12.771 -3.184 3.187 213 HD2 PHE 32 HD1 PHE 32 9.628 -0.472 4.357 214 HE1 PHE 32 HE2 PHE 32 12.075 -4.754 4.975 215 HE2 PHE 32 HE1 PHE 32 8.954 -2.032 6.165 216 HZ PHE 32 HZ PHE 32 10.168 -4.184 6.469 217 H GLY 33 H GLY 33 11.879 2.491 2.064 218 HA2 GLY 33 HA2 GLY 33 14.138 3.477 0.726 219 HA3 GLY 33 HA3 GLY 33 13.196 2.589 -0.478 220 H GLU 34 H GLU 34 13.296 4.771 -1.375 221 HA GLU 34 HA GLU 34 11.571 6.835 -0.203 222 HB2 GLU 34 HB2 GLU 34 13.574 6.773 -2.473 223 HB3 GLU 34 HB3 GLU 34 12.529 8.152 -2.154 224 HG2 GLU 34 HG2 GLU 34 14.763 8.430 -1.150 225 HG3 GLU 34 HG3 GLU 34 13.458 8.517 0.024 226 H ILE 35 H ILE 35 9.656 7.445 -0.871 227 HA ILE 35 HA ILE 35 8.295 5.618 -2.771 228 HB ILE 35 HB ILE 35 7.341 7.305 -0.430 229 HG12 ILE 35 HG12 ILE 35 8.469 5.275 0.286 230 HG13 ILE 35 HG13 ILE 35 6.742 5.134 0.574 231 HG21 ILE 35 HG21 ILE 35 5.496 7.409 -1.940 232 HG22 ILE 35 HG22 ILE 35 5.663 5.699 -2.391 233 HG23 ILE 35 HG23 ILE 35 5.100 6.146 -0.780 234 HD11 ILE 35 HD11 ILE 35 8.377 3.763 -1.594 235 HD12 ILE 35 HD12 ILE 35 7.452 3.026 -0.278 236 HD13 ILE 35 HD13 ILE 35 6.602 3.815 -1.641 237 H LEU 36 H LEU 36 7.144 6.170 -4.458 238 HA LEU 36 HA LEU 36 7.003 9.064 -5.224 239 HB2 LEU 36 HB2 LEU 36 7.145 6.612 -7.006 240 HB3 LEU 36 HB3 LEU 36 7.043 8.286 -7.544 241 HG LEU 36 HG LEU 36 9.365 7.059 -5.987 242 HD11 LEU 36 HD11 LEU 36 10.622 7.278 -8.054 243 HD12 LEU 36 HD12 LEU 36 9.211 7.972 -8.878 244 HD13 LEU 36 HD13 LEU 36 9.180 6.284 -8.338 245 HD21 LEU 36 HD21 LEU 36 9.187 9.460 -5.481 246 HD22 LEU 36 HD22 LEU 36 9.050 9.839 -7.209 247 HD23 LEU 36 HD23 LEU 36 10.558 9.169 -6.546 248 H ASP 37 H ASP 37 5.027 6.329 -4.389 249 HA ASP 37 HA ASP 37 2.705 8.112 -4.642 250 HB2 ASP 37 HB2 ASP 37 2.688 5.361 -5.964 251 HB3 ASP 37 HB3 ASP 37 1.265 6.300 -5.603 252 H ALA 38 H ALA 38 1.189 7.749 -3.019 253 HA ALA 38 HA ALA 38 0.893 5.049 -1.909 254 HB1 ALA 38 HB1 ALA 38 1.245 7.574 -0.225 255 HB2 ALA 38 HB2 ALA 38 0.657 6.013 0.390 256 HB3 ALA 38 HB3 ALA 38 2.311 6.151 -0.247 257 H LYS 39 H LYS 39 -1.128 4.608 -2.540 258 HA LYS 39 HA LYS 39 -3.155 6.793 -2.820 259 HB2 LYS 39 HB2 LYS 39 -2.752 5.696 -4.908 260 HB3 LYS 39 HB3 LYS 39 -2.851 4.111 -4.184 261 HG2 LYS 39 HG2 LYS 39 -4.854 4.489 -5.460 262 HG3 LYS 39 HG3 LYS 39 -5.312 4.432 -3.760 263 HD2 LYS 39 HD2 LYS 39 -5.198 6.974 -3.751 264 HD3 LYS 39 HD3 LYS 39 -4.954 6.938 -5.491 265 HE2 LYS 39 HE2 LYS 39 -7.143 5.986 -5.861 266 HE3 LYS 39 HE3 LYS 39 -7.322 5.583 -4.141 267 HZ1 LYS 39 HZ1 LYS 39 -8.557 7.598 -4.585 268 HZ2 LYS 39 HZ2 LYS 39 -7.256 8.328 -5.260 269 HZ3 LYS 39 HZ3 LYS 39 -7.246 7.994 -3.666 270 H ILE 40 H ILE 40 -5.041 6.735 -1.788 271 HA ILE 40 HA ILE 40 -5.929 4.279 -0.401 272 HB ILE 40 HB ILE 40 -4.967 5.595 1.332 273 HG12 ILE 40 HG12 ILE 40 -7.334 4.483 1.534 274 HG13 ILE 40 HG13 ILE 40 -6.618 5.392 2.843 275 HG21 ILE 40 HG21 ILE 40 -4.886 7.821 0.366 276 HG22 ILE 40 HG22 ILE 40 -6.642 7.968 0.405 277 HG23 ILE 40 HG23 ILE 40 -5.732 7.895 1.915 278 HD11 ILE 40 HD11 ILE 40 -9.056 5.820 2.477 279 HD12 ILE 40 HD12 ILE 40 -8.054 7.278 2.490 280 HD13 ILE 40 HD13 ILE 40 -8.664 6.626 0.955 281 H ILE 41 H ILE 41 -8.031 3.812 -0.751 282 HA ILE 41 HA ILE 41 -9.764 5.945 -1.927 283 HB ILE 41 HB ILE 41 -9.529 4.427 -3.618 284 HG12 ILE 41 HG12 ILE 41 -11.738 3.320 -3.890 285 HG13 ILE 41 HG13 ILE 41 -12.130 3.716 -2.217 286 HG21 ILE 41 HG21 ILE 41 -9.672 2.238 -1.554 287 HG22 ILE 41 HG22 ILE 41 -10.056 1.912 -3.256 288 HG23 ILE 41 HG23 ILE 41 -8.465 2.557 -2.811 289 HD11 ILE 41 HD11 ILE 41 -11.592 5.669 -4.490 290 HD12 ILE 41 HD12 ILE 41 -13.151 5.307 -3.723 291 HD13 ILE 41 HD13 ILE 41 -11.907 6.164 -2.813 292 H ASN 42 H ASN 42 -11.220 6.743 -0.797 293 HA ASN 42 HA ASN 42 -13.029 5.248 0.964 294 HB2 ASN 42 HB2 ASN 42 -11.483 5.952 2.658 295 HB3 ASN 42 HB3 ASN 42 -11.169 7.489 1.849 296 HD21 ASN 42 HD21 ASN 42 -13.650 5.753 3.843 297 HD22 ASN 42 HD22 ASN 42 -14.404 7.246 4.321 298 H ASP 43 H ASP 43 -15.058 5.884 0.381 299 HA ASP 43 HA ASP 43 -15.474 8.726 -0.506 300 HB2 ASP 43 HB2 ASP 43 -17.104 6.286 -1.247 301 HB3 ASP 43 HB3 ASP 43 -17.548 7.947 -1.596 302 H ARG 44 H ARG 44 -15.603 9.538 1.554 303 HA ARG 44 HA ARG 44 -17.009 8.521 3.780 304 HB2 ARG 44 HB2 ARG 44 -15.357 10.399 3.809 305 HB3 ARG 44 HB3 ARG 44 -16.543 11.441 3.011 306 HG2 ARG 44 HG2 ARG 44 -18.086 11.075 5.010 307 HG3 ARG 44 HG3 ARG 44 -16.788 10.161 5.766 308 HD2 ARG 44 HD2 ARG 44 -16.749 12.362 6.698 309 HD3 ARG 44 HD3 ARG 44 -15.337 12.208 5.658 310 HE ARG 44 HE ARG 44 -16.130 13.984 4.404 311 HH11 ARG 44 HH11 ARG 44 -18.989 12.839 6.195 312 HH12 ARG 44 HH12 ARG 44 -19.885 14.233 5.641 313 HH21 ARG 44 HH21 ARG 44 -17.405 15.529 3.718 314 HH22 ARG 44 HH22 ARG 44 -19.138 15.512 4.058 315 H GLU 45 H GLU 45 -18.202 10.603 1.184 316 HA GLU 45 HA GLU 45 -20.757 11.293 2.283 317 HB2 GLU 45 HB2 GLU 45 -19.380 12.313 0.368 318 HB3 GLU 45 HB3 GLU 45 -19.940 10.961 -0.619 319 HG2 GLU 45 HG2 GLU 45 -22.322 11.792 -0.145 320 HG3 GLU 45 HG3 GLU 45 -21.577 13.219 0.584 321 H THR 46 H THR 46 -19.670 8.469 0.446 322 HA THR 46 HA THR 46 -22.414 7.338 0.212 323 HB THR 46 HB THR 46 -19.734 6.537 -0.963 324 HG1 THR 46 HG1 THR 46 -22.016 7.318 -2.386 325 HG21 THR 46 HG21 THR 46 -22.479 5.300 -1.418 326 HG22 THR 46 HG22 THR 46 -20.995 4.484 -0.903 327 HG23 THR 46 HG23 THR 46 -21.108 5.124 -2.542 328 H GLY 47 H GLY 47 -19.864 7.254 2.460 329 HA2 GLY 47 HA2 GLY 47 -19.579 6.002 4.377 330 HA3 GLY 47 HA3 GLY 47 -21.041 5.082 3.994 331 H ARG 48 H ARG 48 -18.244 5.402 1.856 332 HA ARG 48 HA ARG 48 -17.908 2.413 1.844 333 HB2 ARG 48 HB2 ARG 48 -19.132 3.374 -0.058 334 HB3 ARG 48 HB3 ARG 48 -17.802 4.479 -0.362 335 HG2 ARG 48 HG2 ARG 48 -16.364 2.329 -0.767 336 HG3 ARG 48 HG3 ARG 48 -17.922 1.481 -0.828 337 HD2 ARG 48 HD2 ARG 48 -18.680 3.081 -2.589 338 HD3 ARG 48 HD3 ARG 48 -17.124 3.908 -2.491 339 HE ARG 48 HE ARG 48 -17.495 1.073 -3.414 340 HH11 ARG 48 HH11 ARG 48 -15.908 4.238 -3.976 341 HH12 ARG 48 HH12 ARG 48 -15.124 3.579 -5.395 342 HH21 ARG 48 HH21 ARG 48 -16.430 0.483 -5.299 343 HH22 ARG 48 HH22 ARG 48 -15.317 1.616 -6.031 344 H SER 49 H SER 49 -16.280 2.618 3.479 345 HA SER 49 HA SER 49 -13.630 3.631 2.609 346 HB2 SER 49 HB2 SER 49 -14.529 2.206 5.127 347 HB3 SER 49 HB3 SER 49 -12.868 2.718 4.779 348 HG SER 49 HG SER 49 -15.167 4.282 5.291 349 H ARG 50 H ARG 50 -13.037 2.469 0.861 350 HA ARG 50 HA ARG 50 -13.483 -0.370 0.472 351 HB2 ARG 50 HB2 ARG 50 -11.696 1.712 -0.808 352 HB3 ARG 50 HB3 ARG 50 -11.637 0.043 -1.328 353 HG2 ARG 50 HG2 ARG 50 -14.194 1.708 -1.420 354 HG3 ARG 50 HG3 ARG 50 -13.008 1.639 -2.708 355 HD2 ARG 50 HD2 ARG 50 -14.444 0.091 -3.488 356 HD3 ARG 50 HD3 ARG 50 -13.258 -0.919 -2.675 357 HE ARG 50 HE ARG 50 -15.428 -0.363 -0.858 358 HH11 ARG 50 HH11 ARG 50 -14.816 -2.215 -3.829 359 HH12 ARG 50 HH12 ARG 50 -16.101 -3.320 -3.460 360 HH21 ARG 50 HH21 ARG 50 -17.080 -1.838 -0.543 361 HH22 ARG 50 HH22 ARG 50 -17.173 -3.250 -1.572 362 H GLY 51 H GLY 51 -10.839 1.463 1.932 363 HA2 GLY 51 HA2 GLY 51 -9.406 0.741 3.536 364 HA3 GLY 51 HA3 GLY 51 -10.091 -0.860 3.480 365 H PHE 52 H PHE 52 -8.552 0.720 0.698 366 HA PHE 52 HA PHE 52 -6.018 -0.669 0.987 367 HB2 PHE 52 HB2 PHE 52 -6.273 -1.936 -1.163 368 HB3 PHE 52 HB3 PHE 52 -7.222 -2.540 0.154 369 HD1 PHE 52 HD1 PHE 52 -7.574 -0.255 -2.847 370 HD2 PHE 52 HD2 PHE 52 -9.446 -3.127 -0.224 371 HE1 PHE 52 HE1 PHE 52 -9.554 -0.322 -4.324 372 HE2 PHE 52 HE2 PHE 52 -11.405 -3.221 -1.738 373 HZ PHE 52 HZ PHE 52 -11.457 -1.825 -3.797 374 H GLY 53 H GLY 53 -4.686 -0.378 -1.032 375 HA2 GLY 53 HA2 GLY 53 -5.517 1.191 -3.196 376 HA3 GLY 53 HA3 GLY 53 -4.622 2.266 -2.138 377 H PHE 54 H PHE 54 -2.893 2.560 -3.445 378 HA PHE 54 HA PHE 54 -1.191 0.231 -4.231 379 HB2 PHE 54 HB2 PHE 54 -1.332 2.884 -5.687 380 HB3 PHE 54 HB3 PHE 54 -0.444 1.450 -6.168 381 HD1 PHE 54 HD2 PHE 54 -2.353 -0.749 -6.058 382 HD2 PHE 54 HD1 PHE 54 -2.955 3.343 -7.298 383 HE1 PHE 54 HE2 PHE 54 -4.234 -1.461 -7.516 384 HE2 PHE 54 HE1 PHE 54 -4.817 2.621 -8.762 385 HZ PHE 54 HZ PHE 54 -5.465 0.226 -8.872 386 H VAL 55 H VAL 55 1.092 0.562 -4.170 387 HA VAL 55 HA VAL 55 2.074 3.164 -3.168 388 HB VAL 55 HB VAL 55 1.889 1.581 -1.224 389 HG11 VAL 55 HG11 VAL 55 2.515 -0.496 -2.463 390 HG12 VAL 55 HG12 VAL 55 4.195 0.075 -2.508 391 HG13 VAL 55 HG13 VAL 55 3.392 -0.236 -0.956 392 HG21 VAL 55 HG21 VAL 55 3.475 3.474 -1.191 393 HG22 VAL 55 HG22 VAL 55 4.094 2.077 -0.300 394 HG23 VAL 55 HG23 VAL 55 4.726 2.443 -1.919 395 H SER 56 H SER 56 3.990 3.844 -4.190 396 HA SER 56 HA SER 56 5.280 1.883 -6.037 397 HB2 SER 56 HB2 SER 56 5.326 3.241 -7.856 398 HB3 SER 56 HB3 SER 56 3.702 3.533 -7.215 399 HG SER 56 HG SER 56 4.433 5.571 -7.469 400 H PHE 57 H PHE 57 7.408 1.991 -6.412 401 HA PHE 57 HA PHE 57 8.971 3.428 -4.307 402 HB2 PHE 57 HB2 PHE 57 9.366 0.798 -5.773 403 HB3 PHE 57 HB3 PHE 57 10.666 1.579 -4.908 404 HD1 PHE 57 HD2 PHE 57 7.240 0.148 -4.420 405 HD2 PHE 57 HD1 PHE 57 10.919 1.431 -2.575 406 HE1 PHE 57 HE2 PHE 57 6.517 -0.862 -2.265 407 HE2 PHE 57 HE1 PHE 57 10.199 0.416 -0.429 408 HZ PHE 57 HZ PHE 57 8.005 -0.723 -0.274 409 H SER 58 H SER 58 11.228 3.866 -4.845 410 HA SER 58 HA SER 58 11.618 5.110 -7.511 411 HB2 SER 58 HB2 SER 58 13.461 5.109 -5.089 412 HB3 SER 58 HB3 SER 58 13.625 6.071 -6.561 413 HG SER 58 HG SER 58 11.542 6.226 -4.620 414 H ASN 59 H ASN 59 12.688 2.306 -5.598 415 HA ASN 59 HA ASN 59 14.218 1.294 -7.949 416 HB2 ASN 59 HB2 ASN 59 15.198 1.216 -5.067 417 HB3 ASN 59 HB3 ASN 59 16.039 0.568 -6.470 418 HD21 ASN 59 HD21 ASN 59 16.706 2.223 -8.201 419 HD22 ASN 59 HD22 ASN 59 17.140 3.815 -7.576 420 H GLU 60 H GLU 60 14.447 -0.978 -8.100 421 HA GLU 60 HA GLU 60 12.008 -2.293 -7.275 422 HB2 GLU 60 HB2 GLU 60 14.224 -3.728 -8.734 423 HB3 GLU 60 HB3 GLU 60 12.484 -3.931 -8.831 424 HG2 GLU 60 HG2 GLU 60 12.731 -2.840 -10.790 425 HG3 GLU 60 HG3 GLU 60 12.638 -1.398 -9.786 426 H GLN 61 H GLN 61 15.409 -2.638 -6.230 427 HA GLN 61 HA GLN 61 14.946 -5.090 -4.731 428 HB2 GLN 61 HB2 GLN 61 17.092 -2.955 -4.683 429 HB3 GLN 61 HB3 GLN 61 17.118 -4.353 -3.605 430 HG2 GLN 61 HG2 GLN 61 17.317 -5.911 -5.404 431 HG3 GLN 61 HG3 GLN 61 16.909 -4.696 -6.620 432 HE21 GLN 61 HE21 GLN 61 18.428 -2.851 -6.863 433 HE22 GLN 61 HE22 GLN 61 20.157 -3.194 -6.658 434 H ALA 62 H ALA 62 14.730 -1.614 -3.907 435 HA ALA 62 HA ALA 62 14.069 -1.924 -1.139 436 HB1 ALA 62 HB1 ALA 62 13.185 0.209 -3.147 437 HB2 ALA 62 HB2 ALA 62 13.117 0.335 -1.381 438 HB3 ALA 62 HB3 ALA 62 14.691 0.233 -2.197 439 H MET 63 H MET 63 11.974 -1.830 -4.070 440 HA MET 63 HA MET 63 9.487 -2.313 -2.813 441 HB2 MET 63 HB2 MET 63 9.888 -1.656 -5.214 442 HB3 MET 63 HB3 MET 63 10.451 -3.291 -5.526 443 HG2 MET 63 HG2 MET 63 8.115 -4.044 -4.642 444 HG3 MET 63 HG3 MET 63 7.664 -2.354 -4.857 445 HE1 MET 63 HE1 MET 63 8.701 -5.344 -8.249 446 HE2 MET 63 HE2 MET 63 9.965 -4.801 -7.130 447 HE3 MET 63 HE3 MET 63 8.588 -5.754 -6.524 448 H GLN 64 H GLN 64 11.999 -4.685 -3.807 449 HA GLN 64 HA GLN 64 10.361 -7.017 -3.237 450 HB2 GLN 64 HB2 GLN 64 13.339 -6.623 -3.685 451 HB3 GLN 64 HB3 GLN 64 12.610 -8.194 -3.329 452 HG2 GLN 64 HG2 GLN 64 11.388 -8.247 -5.360 453 HG3 GLN 64 HG3 GLN 64 11.609 -6.525 -5.659 454 HE21 GLN 64 HE21 GLN 64 13.434 -5.854 -6.788 455 HE22 GLN 64 HE22 GLN 64 14.665 -6.994 -7.380 456 H ASP 65 H ASP 65 13.020 -5.390 -1.413 457 HA ASP 65 HA ASP 65 12.903 -7.198 0.837 458 HB2 ASP 65 HB2 ASP 65 13.974 -4.378 0.450 459 HB3 ASP 65 HB3 ASP 65 13.965 -5.152 2.030 460 H ALA 66 H ALA 66 11.037 -4.238 0.030 461 HA ALA 66 HA ALA 66 9.662 -4.099 2.539 462 HB1 ALA 66 HB1 ALA 66 8.912 -3.157 -0.263 463 HB2 ALA 66 HB2 ALA 66 8.125 -2.683 1.250 464 HB3 ALA 66 HB3 ALA 66 9.808 -2.231 0.955 465 H ILE 67 H ILE 67 8.475 -5.389 -0.633 466 HA ILE 67 HA ILE 67 6.143 -6.609 0.264 467 HB ILE 67 HB ILE 67 8.019 -7.301 -2.005 468 HG12 ILE 67 HG12 ILE 67 5.233 -6.026 -1.966 469 HG13 ILE 67 HG13 ILE 67 6.723 -5.099 -1.960 470 HG21 ILE 67 HG21 ILE 67 6.780 -9.393 -1.514 471 HG22 ILE 67 HG22 ILE 67 5.246 -8.496 -1.564 472 HG23 ILE 67 HG23 ILE 67 6.229 -8.676 -3.020 473 HD11 ILE 67 HD11 ILE 67 5.987 -5.119 -4.208 474 HD12 ILE 67 HD12 ILE 67 7.353 -6.247 -4.150 475 HD13 ILE 67 HD13 ILE 67 5.680 -6.858 -4.205 476 H GLU 68 H GLU 68 9.410 -8.152 0.286 477 HA GLU 68 HA GLU 68 8.705 -10.657 1.407 478 HB2 GLU 68 HB2 GLU 68 10.950 -9.902 0.568 479 HB3 GLU 68 HB3 GLU 68 11.135 -8.914 2.002 480 HG2 GLU 68 HG2 GLU 68 10.498 -11.663 2.761 481 HG3 GLU 68 HG3 GLU 68 11.785 -11.682 1.571 482 H GLY 69 H GLY 69 9.138 -7.525 3.028 483 HA2 GLY 69 HA2 GLY 69 8.555 -8.565 5.728 484 HA3 GLY 69 HA3 GLY 69 9.075 -6.940 5.284 485 H MET 70 H MET 70 6.536 -7.753 3.206 486 HA MET 70 HA MET 70 4.468 -6.534 5.021 487 HB2 MET 70 HB2 MET 70 4.762 -6.460 2.003 488 HB3 MET 70 HB3 MET 70 3.309 -5.917 2.836 489 HG2 MET 70 HG2 MET 70 6.128 -4.775 3.055 490 HG3 MET 70 HG3 MET 70 4.761 -4.019 2.299 491 HE1 MET 70 HE1 MET 70 5.948 -1.943 5.554 492 HE2 MET 70 HE2 MET 70 7.000 -3.140 4.760 493 HE3 MET 70 HE3 MET 70 6.021 -2.030 3.779 494 H ASN 71 H ASN 71 5.029 -9.210 2.735 495 HA ASN 71 HA ASN 71 2.392 -10.227 2.597 496 HB2 ASN 71 HB2 ASN 71 4.339 -10.949 1.212 497 HB3 ASN 71 HB3 ASN 71 5.075 -11.697 2.628 498 HD21 ASN 71 HD21 ASN 71 4.903 -13.878 2.415 499 HD22 ASN 71 HD22 ASN 71 3.467 -14.737 1.838 500 H GLY 72 H GLY 72 1.143 -10.336 4.326 501 HA2 GLY 72 HA2 GLY 72 0.135 -11.448 6.071 502 HA3 GLY 72 HA3 GLY 72 1.539 -12.499 6.240 503 H LYS 73 H LYS 73 2.207 -9.049 6.444 504 HA LYS 73 HA LYS 73 2.767 -9.260 9.337 505 HB2 LYS 73 HB2 LYS 73 3.318 -7.324 7.139 506 HB3 LYS 73 HB3 LYS 73 2.989 -6.545 8.666 507 HG2 LYS 73 HG2 LYS 73 5.109 -8.699 8.246 508 HG3 LYS 73 HG3 LYS 73 5.374 -6.953 8.280 509 HD2 LYS 73 HD2 LYS 73 4.467 -6.884 10.620 510 HD3 LYS 73 HD3 LYS 73 4.474 -8.665 10.606 511 HE2 LYS 73 HE2 LYS 73 6.924 -8.573 10.013 512 HE3 LYS 73 HE3 LYS 73 6.880 -6.821 10.243 513 HZ1 LYS 73 HZ1 LYS 73 7.605 -8.088 12.246 514 HZ2 LYS 73 HZ2 LYS 73 6.155 -8.807 12.338 515 HZ3 LYS 73 HZ3 LYS 73 6.247 -7.194 12.559 516 H GLU 74 H GLU 74 1.998 -7.427 10.774 517 HA GLU 74 HA GLU 74 -0.785 -6.541 10.163 518 HB2 GLU 74 HB2 GLU 74 -1.000 -5.855 12.458 519 HB3 GLU 74 HB3 GLU 74 -0.743 -7.583 12.322 520 HG2 GLU 74 HG2 GLU 74 1.483 -5.637 13.067 521 HG3 GLU 74 HG3 GLU 74 0.417 -6.397 14.235 522 H LEU 75 H LEU 75 -1.197 -4.401 9.861 523 HA LEU 75 HA LEU 75 0.901 -2.379 10.350 524 HB2 LEU 75 HB2 LEU 75 0.533 -3.376 7.768 525 HB3 LEU 75 HB3 LEU 75 -0.600 -2.038 7.801 526 HG LEU 75 HG LEU 75 1.486 -0.696 8.806 527 HD11 LEU 75 HD11 LEU 75 2.840 -2.920 7.197 528 HD12 LEU 75 HD12 LEU 75 2.933 -2.760 8.958 529 HD13 LEU 75 HD13 LEU 75 3.633 -1.508 7.922 530 HD21 LEU 75 HD21 LEU 75 2.174 -0.098 6.508 531 HD22 LEU 75 HD22 LEU 75 0.413 -0.162 6.670 532 HD23 LEU 75 HD23 LEU 75 1.284 -1.498 5.879 533 H ASP 76 H ASP 76 0.020 -0.451 11.108 534 HA ASP 76 HA ASP 76 -1.411 0.658 12.357 535 HB2 ASP 76 HB2 ASP 76 -2.100 1.431 10.074 536 HB3 ASP 76 HB3 ASP 76 -3.474 0.322 10.157 537 H GLY 77 H GLY 77 -1.330 -2.211 12.817 538 HA2 GLY 77 HA2 GLY 77 -2.220 -3.623 14.406 539 HA3 GLY 77 HA3 GLY 77 -3.603 -2.553 14.612 540 H ARG 78 H ARG 78 -3.273 -3.293 11.301 541 HA ARG 78 HA ARG 78 -5.428 -5.381 11.456 542 HB2 ARG 78 HB2 ARG 78 -4.889 -3.500 9.148 543 HB3 ARG 78 HB3 ARG 78 -6.325 -4.474 9.429 544 HG2 ARG 78 HG2 ARG 78 -5.472 -2.020 11.038 545 HG3 ARG 78 HG3 ARG 78 -6.646 -2.030 9.747 546 HD2 ARG 78 HD2 ARG 78 -8.169 -3.446 11.040 547 HD3 ARG 78 HD3 ARG 78 -6.985 -3.538 12.366 548 HE ARG 78 HE ARG 78 -7.139 -0.935 12.288 549 HH11 ARG 78 HH11 ARG 78 -10.103 -2.855 11.827 550 HH12 ARG 78 HH12 ARG 78 -11.045 -1.419 12.147 551 HH21 ARG 78 HH21 ARG 78 -8.418 0.657 12.719 552 HH22 ARG 78 HH22 ARG 78 -10.163 0.461 12.636 553 H SER 79 H SER 79 -5.184 -7.246 10.106 554 HA SER 79 HA SER 79 -2.636 -8.073 9.162 555 HB2 SER 79 HB2 SER 79 -5.436 -8.816 8.228 556 HB3 SER 79 HB3 SER 79 -3.968 -9.599 7.627 557 HG SER 79 HG SER 79 -5.151 -10.552 9.503 558 H ILE 80 H ILE 80 -1.397 -7.546 7.437 559 HA ILE 80 HA ILE 80 -2.621 -5.991 5.221 560 HB ILE 80 HB ILE 80 -0.971 -4.660 6.132 561 HG12 ILE 80 HG12 ILE 80 0.397 -5.923 3.731 562 HG13 ILE 80 HG13 ILE 80 -1.042 -4.897 3.606 563 HG21 ILE 80 HG21 ILE 80 0.840 -7.083 6.130 564 HG22 ILE 80 HG22 ILE 80 1.471 -5.437 6.316 565 HG23 ILE 80 HG23 ILE 80 0.328 -6.044 7.490 566 HD11 ILE 80 HD11 ILE 80 1.005 -3.653 3.131 567 HD12 ILE 80 HD12 ILE 80 0.144 -3.000 4.542 568 HD13 ILE 80 HD13 ILE 80 1.624 -3.970 4.748 569 H VAL 81 H VAL 81 -2.389 -6.492 3.142 570 HA VAL 81 HA VAL 81 -1.108 -9.056 2.357 571 HB VAL 81 HB VAL 81 -3.918 -8.139 1.640 572 HG11 VAL 81 HG11 VAL 81 -2.917 -8.861 -0.478 573 HG12 VAL 81 HG12 VAL 81 -2.288 -10.336 0.292 574 HG13 VAL 81 HG13 VAL 81 -4.034 -10.089 0.104 575 HG21 VAL 81 HG21 VAL 81 -4.448 -10.483 2.393 576 HG22 VAL 81 HG22 VAL 81 -2.733 -10.685 2.833 577 HG23 VAL 81 HG23 VAL 81 -3.746 -9.489 3.672 578 H VAL 82 H VAL 82 -0.052 -9.013 0.454 579 HA VAL 82 HA VAL 82 0.075 -6.425 -1.019 580 HB VAL 82 HB VAL 82 2.469 -6.774 -1.403 581 HG11 VAL 82 HG11 VAL 82 1.614 -6.326 1.472 582 HG12 VAL 82 HG12 VAL 82 3.027 -5.628 0.608 583 HG13 VAL 82 HG13 VAL 82 1.398 -5.138 0.164 584 HG21 VAL 82 HG21 VAL 82 2.250 -8.684 0.963 585 HG22 VAL 82 HG22 VAL 82 2.735 -9.129 -0.687 586 HG23 VAL 82 HG23 VAL 82 3.751 -8.042 0.273 587 H ASN 83 H ASN 83 0.501 -6.544 -3.274 588 HA ASN 83 HA ASN 83 1.578 -8.931 -4.459 589 HB2 ASN 83 HB2 ASN 83 -0.145 -9.253 -6.215 590 HB3 ASN 83 HB3 ASN 83 -0.730 -9.670 -4.614 591 HD21 ASN 83 HD21 ASN 83 -0.801 -6.966 -7.036 592 HD22 ASN 83 HD22 ASN 83 -2.439 -6.510 -6.620 593 H GLU 84 H GLU 84 2.406 -8.572 -6.602 594 HA GLU 84 HA GLU 84 3.300 -6.007 -7.349 595 HB2 GLU 84 HB2 GLU 84 3.629 -6.981 -9.622 596 HB3 GLU 84 HB3 GLU 84 4.306 -7.967 -8.334 597 HG2 GLU 84 HG2 GLU 84 2.875 -9.711 -8.707 598 HG3 GLU 84 HG3 GLU 84 1.515 -8.711 -9.154 599 H ALA 85 H ALA 85 2.602 -4.448 -8.985 600 HA ALA 85 HA ALA 85 -0.276 -4.671 -9.740 601 HB1 ALA 85 HB1 ALA 85 -0.206 -3.503 -7.663 602 HB2 ALA 85 HB2 ALA 85 0.998 -2.356 -8.268 603 HB3 ALA 85 HB3 ALA 85 -0.645 -2.369 -8.945 604 H GLN 86 H GLN 86 2.492 -4.598 -11.383 605 HA GLN 86 HA GLN 86 2.156 -2.439 -13.183 606 HB2 GLN 86 HB2 GLN 86 4.137 -3.815 -13.115 607 HB3 GLN 86 HB3 GLN 86 3.268 -5.218 -13.724 608 HG2 GLN 86 HG2 GLN 86 3.452 -2.611 -15.312 609 HG3 GLN 86 HG3 GLN 86 4.765 -3.776 -15.316 610 HE21 GLN 86 HE21 GLN 86 3.768 -3.280 -17.814 611 HE22 GLN 86 HE22 GLN 86 2.774 -4.655 -18.280 612 H SER 87 H SER 87 0.140 -5.353 -12.969 613 HA SER 87 HA SER 87 -1.252 -5.133 -15.447 614 HB2 SER 87 HB2 SER 87 -2.435 -5.832 -12.728 615 HB3 SER 87 HB3 SER 87 -3.142 -6.193 -14.312 616 HG SER 87 HG SER 87 -0.707 -7.181 -13.226 617 H ARG 88 H ARG 88 -1.214 -2.903 -12.822 618 HA ARG 88 HA ARG 88 -3.426 -1.272 -13.980 619 HB2 ARG 88 HB2 ARG 88 -2.630 -1.833 -11.109 620 HB3 ARG 88 HB3 ARG 88 -3.497 -0.360 -11.494 621 HG2 ARG 88 HG2 ARG 88 -4.664 -2.877 -12.640 622 HG3 ARG 88 HG3 ARG 88 -4.706 -2.730 -10.893 623 HD2 ARG 88 HD2 ARG 88 -6.769 -1.886 -12.108 624 HD3 ARG 88 HD3 ARG 88 -6.052 -0.813 -10.919 625 HE ARG 88 HE ARG 88 -5.623 0.753 -12.509 626 HH11 ARG 88 HH11 ARG 88 -6.114 -2.229 -14.374 627 HH12 ARG 88 HH12 ARG 88 -6.055 -1.303 -15.877 628 HH21 ARG 88 HH21 ARG 88 -5.981 1.753 -14.417 629 HH22 ARG 88 HH22 ARG 88 -5.926 0.815 -15.903 630 H GLY 89 H GLY 89 -0.477 -1.369 -14.597 631 HA2 GLY 89 HA2 GLY 89 0.578 1.248 -13.831 632 HA3 GLY 89 HA3 GLY 89 1.240 0.125 -15.015 633 H TYR 90 H TYR 90 1.548 2.478 -15.870 634 HA TYR 90 HA TYR 90 -0.410 3.944 -17.161 635 HB2 TYR 90 HB2 TYR 90 1.296 4.906 -18.479 636 HB3 TYR 90 HB3 TYR 90 2.001 4.549 -16.919 637 HD1 TYR 90 HD1 TYR 90 3.584 2.551 -16.680 638 HD2 TYR 90 HD2 TYR 90 2.212 4.015 -20.500 639 HE1 TYR 90 HE1 TYR 90 5.417 1.314 -17.807 640 HE2 TYR 90 HE2 TYR 90 4.079 2.797 -21.626 641 HH TYR 90 HH TYR 90 6.324 0.694 -19.817 642 H GLY 91 H GLY 91 -1.475 3.950 -19.106 643 HA2 GLY 91 HA2 GLY 91 -2.383 3.147 -21.074 644 HA3 GLY 91 HA3 GLY 91 -1.060 1.988 -21.213 645 H GLY 92 H GLY 92 -2.046 1.084 -18.302 646 HA2 GLY 92 HA2 GLY 92 -3.854 -1.036 -19.198 647 HA3 GLY 92 HA3 GLY 92 -3.157 -0.836 -17.596 Start of MODEL 6 1 H1 MET 1 H1 MET 1 13.604 8.869 -10.344 2 H2 MET 1 H2 MET 1 15.164 8.613 -10.736 3 H3 MET 1 H3 MET 1 14.381 7.514 -9.787 4 HA MET 1 HA MET 1 13.896 8.145 -12.622 5 HB2 MET 1 HB2 MET 1 14.890 5.590 -11.300 6 HB3 MET 1 HB3 MET 1 14.322 5.694 -12.964 7 HG2 MET 1 HG2 MET 1 16.680 5.821 -13.049 8 HG3 MET 1 HG3 MET 1 16.029 7.400 -13.476 9 HE1 MET 1 HE1 MET 1 19.088 7.050 -12.917 10 HE2 MET 1 HE2 MET 1 18.252 8.573 -13.302 11 HE3 MET 1 HE3 MET 1 19.360 8.497 -11.919 12 H ALA 2 H ALA 2 11.781 8.612 -12.649 13 HA ALA 2 HA ALA 2 9.765 6.874 -11.430 14 HB1 ALA 2 HB1 ALA 2 8.203 8.430 -12.550 15 HB2 ALA 2 HB2 ALA 2 9.389 9.294 -11.553 16 HB3 ALA 2 HB3 ALA 2 9.575 9.258 -13.320 17 H GLU 3 H GLU 3 10.068 4.919 -12.282 18 HA GLU 3 HA GLU 3 10.019 4.418 -15.220 19 HB2 GLU 3 HB2 GLU 3 10.939 2.760 -12.840 20 HB3 GLU 3 HB3 GLU 3 10.683 2.066 -14.437 21 HG2 GLU 3 HG2 GLU 3 12.634 4.300 -13.784 22 HG3 GLU 3 HG3 GLU 3 13.043 2.603 -14.048 23 H SER 4 H SER 4 7.961 4.451 -15.769 24 HA SER 4 HA SER 4 6.969 1.761 -15.411 25 HB2 SER 4 HB2 SER 4 4.553 2.318 -15.338 26 HB3 SER 4 HB3 SER 4 5.432 2.733 -13.874 27 HG SER 4 HG SER 4 4.678 4.460 -15.987 28 H ASP 5 H ASP 5 8.273 1.882 -17.513 29 HA ASP 5 HA ASP 5 6.377 2.569 -19.752 30 HB2 ASP 5 HB2 ASP 5 9.375 2.154 -19.819 31 HB3 ASP 5 HB3 ASP 5 8.350 2.144 -21.249 32 H GLY 6 H GLY 6 8.912 0.097 -19.360 33 HA2 GLY 6 HA2 GLY 6 6.953 -2.040 -20.125 34 HA3 GLY 6 HA3 GLY 6 8.708 -2.131 -20.249 35 H ALA 7 H ALA 7 8.778 -0.829 -17.429 36 HA ALA 7 HA ALA 7 7.991 -3.094 -15.706 37 HB1 ALA 7 HB1 ALA 7 10.872 -2.156 -16.087 38 HB2 ALA 7 HB2 ALA 7 10.320 -3.291 -14.846 39 HB3 ALA 7 HB3 ALA 7 10.213 -3.738 -16.559 40 H GLU 8 H GLU 8 7.751 -2.544 -13.554 41 HA GLU 8 HA GLU 8 8.374 0.191 -12.649 42 HB2 GLU 8 HB2 GLU 8 6.086 0.654 -11.942 43 HB3 GLU 8 HB3 GLU 8 6.223 0.465 -13.678 44 HG2 GLU 8 HG2 GLU 8 5.263 -1.853 -13.444 45 HG3 GLU 8 HG3 GLU 8 5.043 -1.535 -11.714 46 H TYR 9 H TYR 9 8.155 0.515 -10.345 47 HA TYR 9 HA TYR 9 8.107 -1.995 -8.714 48 HB2 TYR 9 HB2 TYR 9 9.507 -0.398 -7.083 49 HB3 TYR 9 HB3 TYR 9 10.168 -1.583 -8.169 50 HD1 TYR 9 HD1 TYR 9 9.094 2.015 -8.614 51 HD2 TYR 9 HD2 TYR 9 12.191 -0.935 -9.029 52 HE1 TYR 9 HE1 TYR 9 10.550 3.711 -9.712 53 HE2 TYR 9 HE2 TYR 9 13.669 0.760 -10.098 54 HH TYR 9 HH TYR 9 12.585 4.122 -10.702 55 H ARG 10 H ARG 10 5.900 -1.805 -8.750 56 HA ARG 10 HA ARG 10 4.709 0.000 -6.708 57 HB2 ARG 10 HB2 ARG 10 4.417 1.061 -8.924 58 HB3 ARG 10 HB3 ARG 10 3.690 -0.416 -9.553 59 HG2 ARG 10 HG2 ARG 10 1.778 -0.162 -8.007 60 HG3 ARG 10 HG3 ARG 10 2.498 1.301 -7.327 61 HD2 ARG 10 HD2 ARG 10 1.746 1.007 -10.268 62 HD3 ARG 10 HD3 ARG 10 0.645 1.604 -9.038 63 HE ARG 10 HE ARG 10 1.757 3.611 -8.891 64 HH11 ARG 10 HH11 ARG 10 3.422 1.663 -11.352 65 HH12 ARG 10 HH12 ARG 10 4.480 3.037 -11.701 66 HH21 ARG 10 HH21 ARG 10 3.274 5.206 -9.453 67 HH22 ARG 10 HH22 ARG 10 4.289 4.858 -10.844 68 H CYS 11 H CYS 11 2.977 -0.878 -5.582 69 HA CYS 11 HA CYS 11 1.904 -3.503 -6.436 70 HB2 CYS 11 HB2 CYS 11 2.314 -4.517 -4.237 71 HB3 CYS 11 HB3 CYS 11 3.834 -4.062 -5.018 72 HG CYS 11 HG CYS 11 2.139 -2.119 -2.938 73 H PHE 12 H PHE 12 -0.051 -4.092 -5.635 74 HA PHE 12 HA PHE 12 -1.839 -2.086 -4.444 75 HB2 PHE 12 HB2 PHE 12 -2.483 -3.777 -6.158 76 HB3 PHE 12 HB3 PHE 12 -2.179 -5.056 -4.992 77 HD1 PHE 12 HD1 PHE 12 -4.113 -1.791 -5.105 78 HD2 PHE 12 HD2 PHE 12 -4.168 -6.023 -4.259 79 HE1 PHE 12 HE1 PHE 12 -6.550 -1.676 -4.679 80 HE2 PHE 12 HE2 PHE 12 -6.612 -5.902 -3.851 81 HZ PHE 12 HZ PHE 12 -7.806 -3.729 -4.074 82 H VAL 13 H VAL 13 -2.593 -2.051 -2.373 83 HA VAL 13 HA VAL 13 -1.467 -3.839 -0.284 84 HB VAL 13 HB VAL 13 -1.177 -1.582 1.059 85 HG11 VAL 13 HG11 VAL 13 0.891 -2.602 -0.899 86 HG12 VAL 13 HG12 VAL 13 1.205 -1.542 0.503 87 HG13 VAL 13 HG13 VAL 13 0.564 -3.174 0.760 88 HG21 VAL 13 HG21 VAL 13 -0.208 0.253 -0.237 89 HG22 VAL 13 HG22 VAL 13 -0.571 -0.576 -1.755 90 HG23 VAL 13 HG23 VAL 13 -1.894 -0.023 -0.698 91 H GLY 14 H GLY 14 -2.771 -4.062 1.563 92 HA2 GLY 14 HA2 GLY 14 -4.767 -2.017 2.122 93 HA3 GLY 14 HA3 GLY 14 -5.505 -3.509 1.578 94 H SER 15 H SER 15 -4.912 -1.772 4.137 95 HA SER 15 HA SER 15 -5.575 -3.831 6.055 96 HB2 SER 15 HB2 SER 15 -3.695 -3.534 7.568 97 HB3 SER 15 HB3 SER 15 -3.103 -4.047 5.980 98 HG SER 15 HG SER 15 -2.932 -1.602 7.280 99 H LEU 16 H LEU 16 -6.614 -1.290 4.946 100 HA LEU 16 HA LEU 16 -6.149 0.710 7.095 101 HB2 LEU 16 HB2 LEU 16 -7.570 1.261 4.514 102 HB3 LEU 16 HB3 LEU 16 -6.803 2.413 5.546 103 HG LEU 16 HG LEU 16 -5.453 0.388 3.717 104 HD11 LEU 16 HD11 LEU 16 -6.592 2.498 2.834 105 HD12 LEU 16 HD12 LEU 16 -4.872 2.300 2.421 106 HD13 LEU 16 HD13 LEU 16 -5.361 3.418 3.718 107 HD21 LEU 16 HD21 LEU 16 -4.107 2.461 5.491 108 HD22 LEU 16 HD22 LEU 16 -3.330 1.403 4.306 109 HD23 LEU 16 HD23 LEU 16 -4.052 0.702 5.758 110 H SER 17 H SER 17 -7.918 2.176 7.508 111 HA SER 17 HA SER 17 -10.670 1.084 7.694 112 HB2 SER 17 HB2 SER 17 -10.880 1.780 10.033 113 HB3 SER 17 HB3 SER 17 -9.612 0.558 9.887 114 HG SER 17 HG SER 17 -8.145 1.963 10.413 115 H TRP 18 H TRP 18 -12.161 3.047 8.450 116 HA TRP 18 HA TRP 18 -11.865 5.383 6.934 117 HB2 TRP 18 HB2 TRP 18 -13.477 6.385 8.449 118 HB3 TRP 18 HB3 TRP 18 -13.911 4.725 8.086 119 HD1 TRP 18 HD1 TRP 18 -14.148 3.073 10.081 120 HE1 TRP 18 HE1 TRP 18 -13.993 3.235 12.632 121 HE3 TRP 18 HE3 TRP 18 -12.270 7.804 10.464 122 HZ2 TRP 18 HZ2 TRP 18 -13.262 5.216 14.593 123 HZ3 TRP 18 HZ3 TRP 18 -11.865 8.827 12.691 124 HH2 TRP 18 HH2 TRP 18 -12.366 7.550 14.762 125 H ASN 19 H ASN 19 -10.007 4.635 9.808 126 HA ASN 19 HA ASN 19 -9.249 7.457 10.252 127 HB2 ASN 19 HB2 ASN 19 -9.924 5.849 12.089 128 HB3 ASN 19 HB3 ASN 19 -8.402 4.995 11.813 129 HD21 ASN 19 HD21 ASN 19 -6.458 5.985 12.584 130 HD22 ASN 19 HD22 ASN 19 -6.529 7.456 13.558 131 H THR 20 H THR 20 -7.732 4.480 8.945 132 HA THR 20 HA THR 20 -5.088 5.742 8.720 133 HB THR 20 HB THR 20 -5.634 3.443 6.963 134 HG1 THR 20 HG1 THR 20 -5.402 2.725 9.626 135 HG21 THR 20 HG21 THR 20 -3.523 3.988 9.073 136 HG22 THR 20 HG22 THR 20 -3.354 4.176 7.313 137 HG23 THR 20 HG23 THR 20 -3.566 2.563 8.011 138 H ASP 21 H ASP 21 -4.030 6.315 6.726 139 HA ASP 21 HA ASP 21 -5.548 6.026 4.269 140 HB2 ASP 21 HB2 ASP 21 -5.472 8.450 3.647 141 HB3 ASP 21 HB3 ASP 21 -6.440 8.172 5.080 142 H ASP 22 H ASP 22 -3.933 7.860 2.654 143 HA ASP 22 HA ASP 22 -1.761 6.233 1.878 144 HB2 ASP 22 HB2 ASP 22 -0.852 8.358 0.818 145 HB3 ASP 22 HB3 ASP 22 -2.409 7.840 0.269 146 H ARG 23 H ARG 23 -1.817 8.708 4.436 147 HA ARG 23 HA ARG 23 1.045 8.938 4.684 148 HB2 ARG 23 HB2 ARG 23 -0.885 10.423 5.613 149 HB3 ARG 23 HB3 ARG 23 -0.903 9.334 6.997 150 HG2 ARG 23 HG2 ARG 23 1.628 10.688 5.980 151 HG3 ARG 23 HG3 ARG 23 0.517 11.533 7.042 152 HD2 ARG 23 HD2 ARG 23 0.997 10.218 8.892 153 HD3 ARG 23 HD3 ARG 23 1.593 8.863 7.947 154 HE ARG 23 HE ARG 23 3.083 11.324 8.637 155 HH11 ARG 23 HH11 ARG 23 3.212 8.339 6.722 156 HH12 ARG 23 HH12 ARG 23 4.930 8.644 6.403 157 HH21 ARG 23 HH21 ARG 23 5.196 11.495 8.129 158 HH22 ARG 23 HH22 ARG 23 5.942 10.259 7.103 159 H GLY 24 H GLY 24 -1.231 6.590 6.016 160 HA2 GLY 24 HA2 GLY 24 0.647 5.304 7.828 161 HA3 GLY 24 HA3 GLY 24 -0.904 4.667 7.263 162 H LEU 25 H LEU 25 -0.445 4.675 4.476 163 HA LEU 25 HA LEU 25 1.249 2.356 4.033 164 HB2 LEU 25 HB2 LEU 25 0.040 4.347 2.067 165 HB3 LEU 25 HB3 LEU 25 0.841 2.842 1.614 166 HG LEU 25 HG LEU 25 -1.707 3.001 3.281 167 HD11 LEU 25 HD11 LEU 25 -2.771 2.119 1.204 168 HD12 LEU 25 HD12 LEU 25 -1.233 2.334 0.343 169 HD13 LEU 25 HD13 LEU 25 -2.098 3.738 0.992 170 HD21 LEU 25 HD21 LEU 25 -1.815 0.534 2.697 171 HD22 LEU 25 HD22 LEU 25 -0.513 0.955 3.816 172 HD23 LEU 25 HD23 LEU 25 -0.147 0.656 2.104 173 H GLU 26 H GLU 26 1.756 5.857 3.414 174 HA GLU 26 HA GLU 26 4.330 5.672 2.254 175 HB2 GLU 26 HB2 GLU 26 2.787 7.715 2.477 176 HB3 GLU 26 HB3 GLU 26 3.384 7.880 4.133 177 HG2 GLU 26 HG2 GLU 26 5.746 7.934 3.090 178 HG3 GLU 26 HG3 GLU 26 4.925 8.076 1.529 179 H ALA 27 H ALA 27 3.413 5.907 5.730 180 HA ALA 27 HA ALA 27 6.063 5.795 6.795 181 HB1 ALA 27 HB1 ALA 27 4.100 6.535 8.077 182 HB2 ALA 27 HB2 ALA 27 3.394 4.914 7.982 183 HB3 ALA 27 HB3 ALA 27 4.896 5.180 8.890 184 H ALA 28 H ALA 28 3.784 3.166 5.906 185 HA ALA 28 HA ALA 28 5.119 1.045 7.157 186 HB1 ALA 28 HB1 ALA 28 3.480 0.979 4.586 187 HB2 ALA 28 HB2 ALA 28 3.807 -0.390 5.664 188 HB3 ALA 28 HB3 ALA 28 2.820 0.968 6.236 189 H PHE 29 H PHE 29 5.866 2.456 3.963 190 HA PHE 29 HA PHE 29 8.148 0.537 3.678 191 HB2 PHE 29 HB2 PHE 29 6.647 0.523 1.816 192 HB3 PHE 29 HB3 PHE 29 6.727 2.256 1.650 193 HD1 PHE 29 HD2 PHE 29 8.772 3.355 0.676 194 HD2 PHE 29 HD1 PHE 29 8.437 -0.927 0.986 195 HE1 PHE 29 HE2 PHE 29 10.651 3.096 -0.915 196 HE2 PHE 29 HE1 PHE 29 10.343 -1.183 -0.593 197 HZ PHE 29 HZ PHE 29 11.463 0.829 -1.525 198 H SER 30 H SER 30 7.674 3.809 4.697 199 HA SER 30 HA SER 30 9.724 5.129 3.401 200 HB2 SER 30 HB2 SER 30 8.551 5.518 6.165 201 HB3 SER 30 HB3 SER 30 9.875 6.545 5.595 202 HG SER 30 HG SER 30 7.370 6.156 4.305 203 H SER 31 H SER 31 10.273 2.718 5.912 204 HA SER 31 HA SER 31 13.046 3.524 6.466 205 HB2 SER 31 HB2 SER 31 11.569 0.985 7.225 206 HB3 SER 31 HB3 SER 31 13.111 1.551 7.881 207 HG SER 31 HG SER 31 11.268 1.979 9.195 208 H PHE 32 H PHE 32 11.585 1.723 3.933 209 HA PHE 32 HA PHE 32 13.966 0.011 3.429 210 HB2 PHE 32 HB2 PHE 32 11.245 0.206 2.125 211 HB3 PHE 32 HB3 PHE 32 12.532 -0.849 1.567 212 HD1 PHE 32 HD1 PHE 32 10.255 -0.166 4.461 213 HD2 PHE 32 HD2 PHE 32 12.954 -2.965 2.601 214 HE1 PHE 32 HE1 PHE 32 9.515 -1.928 6.040 215 HE2 PHE 32 HE2 PHE 32 12.210 -4.727 4.191 216 HZ PHE 32 HZ PHE 32 10.487 -4.209 5.907 217 H GLY 33 H GLY 33 12.212 2.748 1.930 218 HA2 GLY 33 HA2 GLY 33 14.588 3.833 0.731 219 HA3 GLY 33 HA3 GLY 33 13.636 2.960 -0.475 220 H GLU 34 H GLU 34 13.427 5.085 -1.515 221 HA GLU 34 HA GLU 34 11.702 7.063 -0.142 222 HB2 GLU 34 HB2 GLU 34 13.053 7.179 -2.852 223 HB3 GLU 34 HB3 GLU 34 12.113 8.465 -2.097 224 HG2 GLU 34 HG2 GLU 34 13.718 8.476 -0.170 225 HG3 GLU 34 HG3 GLU 34 14.683 7.245 -0.990 226 H ILE 35 H ILE 35 9.631 7.419 -0.483 227 HA ILE 35 HA ILE 35 8.006 5.675 -2.165 228 HB ILE 35 HB ILE 35 7.420 8.133 -0.465 229 HG12 ILE 35 HG12 ILE 35 8.110 6.025 0.734 230 HG13 ILE 35 HG13 ILE 35 6.546 6.651 1.168 231 HG21 ILE 35 HG21 ILE 35 5.450 6.420 -2.024 232 HG22 ILE 35 HG22 ILE 35 4.985 7.476 -0.680 233 HG23 ILE 35 HG23 ILE 35 5.697 8.178 -2.124 234 HD11 ILE 35 HD11 ILE 35 5.420 4.949 -0.236 235 HD12 ILE 35 HD12 ILE 35 7.003 4.307 -0.713 236 HD13 ILE 35 HD13 ILE 35 6.496 4.259 0.998 237 H LEU 36 H LEU 36 7.218 6.035 -4.129 238 HA LEU 36 HA LEU 36 7.347 8.799 -5.268 239 HB2 LEU 36 HB2 LEU 36 7.568 6.158 -6.726 240 HB3 LEU 36 HB3 LEU 36 7.376 7.726 -7.506 241 HG LEU 36 HG LEU 36 9.760 6.819 -5.839 242 HD11 LEU 36 HD11 LEU 36 9.493 7.504 -8.802 243 HD12 LEU 36 HD12 LEU 36 9.660 5.874 -8.128 244 HD13 LEU 36 HD13 LEU 36 10.987 7.024 -7.964 245 HD21 LEU 36 HD21 LEU 36 9.491 9.233 -5.503 246 HD22 LEU 36 HD22 LEU 36 9.280 9.484 -7.251 247 HD23 LEU 36 HD23 LEU 36 10.837 8.940 -6.590 248 H ASP 37 H ASP 37 5.140 6.268 -4.274 249 HA ASP 37 HA ASP 37 2.987 8.187 -4.805 250 HB2 ASP 37 HB2 ASP 37 2.820 5.368 -5.965 251 HB3 ASP 37 HB3 ASP 37 1.458 6.454 -5.778 252 H ALA 38 H ALA 38 1.252 7.981 -3.295 253 HA ALA 38 HA ALA 38 0.711 5.308 -2.255 254 HB1 ALA 38 HB1 ALA 38 0.995 7.739 -0.443 255 HB2 ALA 38 HB2 ALA 38 0.311 6.167 0.041 256 HB3 ALA 38 HB3 ALA 38 2.015 6.288 -0.435 257 H LYS 39 H LYS 39 -1.410 4.892 -2.264 258 HA LYS 39 HA LYS 39 -3.427 7.010 -2.954 259 HB2 LYS 39 HB2 LYS 39 -3.020 5.829 -4.964 260 HB3 LYS 39 HB3 LYS 39 -2.766 4.317 -4.136 261 HG2 LYS 39 HG2 LYS 39 -4.747 4.073 -5.355 262 HG3 LYS 39 HG3 LYS 39 -5.260 4.142 -3.677 263 HD2 LYS 39 HD2 LYS 39 -5.833 6.595 -4.050 264 HD3 LYS 39 HD3 LYS 39 -5.379 6.388 -5.754 265 HE2 LYS 39 HE2 LYS 39 -7.064 4.573 -5.982 266 HE3 LYS 39 HE3 LYS 39 -7.507 4.771 -4.277 267 HZ1 LYS 39 HZ1 LYS 39 -9.036 5.991 -5.678 268 HZ2 LYS 39 HZ2 LYS 39 -7.796 6.859 -6.367 269 HZ3 LYS 39 HZ3 LYS 39 -8.181 7.058 -4.799 270 H ILE 40 H ILE 40 -5.333 6.940 -1.866 271 HA ILE 40 HA ILE 40 -5.985 4.510 -0.236 272 HB ILE 40 HB ILE 40 -5.427 6.750 0.954 273 HG12 ILE 40 HG12 ILE 40 -6.148 4.990 2.265 274 HG13 ILE 40 HG13 ILE 40 -7.070 6.408 2.733 275 HG21 ILE 40 HG21 ILE 40 -6.848 8.234 -0.395 276 HG22 ILE 40 HG22 ILE 40 -8.301 7.432 0.245 277 HG23 ILE 40 HG23 ILE 40 -7.217 8.308 1.333 278 HD11 ILE 40 HD11 ILE 40 -9.017 5.464 1.374 279 HD12 ILE 40 HD12 ILE 40 -8.067 3.949 1.288 280 HD13 ILE 40 HD13 ILE 40 -8.560 4.590 2.847 281 H ILE 41 H ILE 41 -7.959 3.540 -0.669 282 HA ILE 41 HA ILE 41 -9.924 5.124 -2.276 283 HB ILE 41 HB ILE 41 -9.190 3.481 -3.733 284 HG12 ILE 41 HG12 ILE 41 -11.874 2.631 -2.613 285 HG13 ILE 41 HG13 ILE 41 -11.605 4.051 -3.577 286 HG21 ILE 41 HG21 ILE 41 -9.308 1.609 -1.400 287 HG22 ILE 41 HG22 ILE 41 -9.659 0.938 -2.985 288 HG23 ILE 41 HG23 ILE 41 -8.108 1.794 -2.697 289 HD11 ILE 41 HD11 ILE 41 -11.182 1.192 -4.543 290 HD12 ILE 41 HD12 ILE 41 -12.463 2.310 -5.015 291 HD13 ILE 41 HD13 ILE 41 -10.786 2.656 -5.473 292 H ASN 42 H ASN 42 -11.499 5.829 -1.209 293 HA ASN 42 HA ASN 42 -13.219 4.104 0.348 294 HB2 ASN 42 HB2 ASN 42 -13.155 5.444 2.422 295 HB3 ASN 42 HB3 ASN 42 -11.601 4.701 2.094 296 HD21 ASN 42 HD21 ASN 42 -10.864 6.386 3.759 297 HD22 ASN 42 HD22 ASN 42 -10.698 8.034 3.191 298 H ASP 43 H ASP 43 -15.319 4.986 0.691 299 HA ASP 43 HA ASP 43 -15.490 7.933 0.490 300 HB2 ASP 43 HB2 ASP 43 -16.710 6.755 -1.564 301 HB3 ASP 43 HB3 ASP 43 -17.937 6.393 -0.349 302 H ARG 44 H ARG 44 -16.208 8.727 2.428 303 HA ARG 44 HA ARG 44 -17.186 6.834 4.473 304 HB2 ARG 44 HB2 ARG 44 -15.514 8.705 4.890 305 HB3 ARG 44 HB3 ARG 44 -16.832 9.862 4.643 306 HG2 ARG 44 HG2 ARG 44 -18.086 8.774 6.519 307 HG3 ARG 44 HG3 ARG 44 -16.736 7.649 6.747 308 HD2 ARG 44 HD2 ARG 44 -15.229 9.569 7.234 309 HD3 ARG 44 HD3 ARG 44 -16.586 10.685 7.056 310 HE ARG 44 HE ARG 44 -15.968 9.014 9.361 311 HH11 ARG 44 HH11 ARG 44 -18.679 10.650 7.829 312 HH12 ARG 44 HH12 ARG 44 -19.736 10.300 9.174 313 HH21 ARG 44 HH21 ARG 44 -17.224 8.791 11.033 314 HH22 ARG 44 HH22 ARG 44 -18.873 9.423 11.043 315 H GLU 45 H GLU 45 -18.419 9.474 2.532 316 HA GLU 45 HA GLU 45 -20.950 9.862 3.731 317 HB2 GLU 45 HB2 GLU 45 -19.575 11.317 2.234 318 HB3 GLU 45 HB3 GLU 45 -20.053 10.323 0.855 319 HG2 GLU 45 HG2 GLU 45 -22.368 11.074 1.096 320 HG3 GLU 45 HG3 GLU 45 -22.010 11.826 2.663 321 H THR 46 H THR 46 -20.115 7.857 0.860 322 HA THR 46 HA THR 46 -22.743 6.484 1.043 323 HB THR 46 HB THR 46 -22.167 5.369 -1.046 324 HG1 THR 46 HG1 THR 46 -19.963 7.160 -1.120 325 HG21 THR 46 HG21 THR 46 -22.366 7.329 -2.506 326 HG22 THR 46 HG22 THR 46 -21.954 8.402 -1.150 327 HG23 THR 46 HG23 THR 46 -23.449 7.445 -1.109 328 H GLY 47 H GLY 47 -20.387 6.136 2.997 329 HA2 GLY 47 HA2 GLY 47 -20.009 4.500 4.522 330 HA3 GLY 47 HA3 GLY 47 -21.299 3.585 3.758 331 H ARG 48 H ARG 48 -18.583 4.237 1.719 332 HA ARG 48 HA ARG 48 -17.829 1.338 1.788 333 HB2 ARG 48 HB2 ARG 48 -17.258 1.696 -0.631 334 HB3 ARG 48 HB3 ARG 48 -18.970 1.751 -0.232 335 HG2 ARG 48 HG2 ARG 48 -19.128 4.070 -0.525 336 HG3 ARG 48 HG3 ARG 48 -17.381 4.290 -0.404 337 HD2 ARG 48 HD2 ARG 48 -18.159 4.647 -2.674 338 HD3 ARG 48 HD3 ARG 48 -16.995 3.331 -2.561 339 HE ARG 48 HE ARG 48 -18.598 1.831 -3.314 340 HH11 ARG 48 HH11 ARG 48 -20.368 4.824 -2.590 341 HH12 ARG 48 HH12 ARG 48 -21.686 4.297 -3.621 342 HH21 ARG 48 HH21 ARG 48 -20.265 1.283 -4.407 343 HH22 ARG 48 HH22 ARG 48 -21.745 2.229 -4.448 344 H SER 49 H SER 49 -16.338 2.071 3.540 345 HA SER 49 HA SER 49 -13.738 3.073 2.525 346 HB2 SER 49 HB2 SER 49 -14.400 1.733 5.187 347 HB3 SER 49 HB3 SER 49 -12.816 2.316 4.666 348 HG SER 49 HG SER 49 -15.051 3.743 5.474 349 H ARG 50 H ARG 50 -12.904 1.812 0.915 350 HA ARG 50 HA ARG 50 -13.239 -1.098 0.816 351 HB2 ARG 50 HB2 ARG 50 -11.326 0.785 -0.619 352 HB3 ARG 50 HB3 ARG 50 -11.466 -0.921 -0.974 353 HG2 ARG 50 HG2 ARG 50 -13.835 1.010 -1.250 354 HG3 ARG 50 HG3 ARG 50 -12.645 0.693 -2.513 355 HD2 ARG 50 HD2 ARG 50 -14.297 -0.720 -3.140 356 HD3 ARG 50 HD3 ARG 50 -13.077 -1.732 -2.406 357 HE ARG 50 HE ARG 50 -14.555 -2.285 -0.663 358 HH11 ARG 50 HH11 ARG 50 -16.102 0.168 -2.711 359 HH12 ARG 50 HH12 ARG 50 -17.694 -0.311 -2.123 360 HH21 ARG 50 HH21 ARG 50 -16.667 -2.659 0.069 361 HH22 ARG 50 HH22 ARG 50 -17.956 -1.631 -0.565 362 H GLY 51 H GLY 51 -10.839 1.088 2.138 363 HA2 GLY 51 HA2 GLY 51 -9.394 0.674 3.891 364 HA3 GLY 51 HA3 GLY 51 -9.839 -1.020 3.925 365 H PHE 52 H PHE 52 -8.719 0.543 0.991 366 HA PHE 52 HA PHE 52 -6.205 -1.027 0.902 367 HB2 PHE 52 HB2 PHE 52 -8.697 -1.397 -0.740 368 HB3 PHE 52 HB3 PHE 52 -7.175 -1.447 -1.593 369 HD1 PHE 52 HD2 PHE 52 -8.874 -3.011 1.377 370 HD2 PHE 52 HD1 PHE 52 -5.868 -3.383 -1.688 371 HE1 PHE 52 HE2 PHE 52 -8.475 -5.358 2.055 372 HE2 PHE 52 HE1 PHE 52 -5.494 -5.743 -1.030 373 HZ PHE 52 HZ PHE 52 -6.781 -6.730 0.856 374 H GLY 53 H GLY 53 -5.009 -0.525 -1.151 375 HA2 GLY 53 HA2 GLY 53 -5.361 2.021 -2.478 376 HA3 GLY 53 HA3 GLY 53 -4.140 2.058 -1.196 377 H PHE 54 H PHE 54 -3.078 2.684 -3.333 378 HA PHE 54 HA PHE 54 -1.405 0.342 -4.105 379 HB2 PHE 54 HB2 PHE 54 -2.016 2.777 -5.815 380 HB3 PHE 54 HB3 PHE 54 -0.690 1.673 -6.117 381 HD1 PHE 54 HD1 PHE 54 -1.168 -0.785 -6.588 382 HD2 PHE 54 HD2 PHE 54 -4.205 2.268 -6.679 383 HE1 PHE 54 HE1 PHE 54 -2.614 -2.262 -7.970 384 HE2 PHE 54 HE2 PHE 54 -5.655 0.787 -8.044 385 HZ PHE 54 HZ PHE 54 -4.868 -1.484 -8.681 386 H VAL 55 H VAL 55 0.848 0.718 -4.087 387 HA VAL 55 HA VAL 55 1.819 3.367 -3.214 388 HB VAL 55 HB VAL 55 1.542 2.074 -1.144 389 HG11 VAL 55 HG11 VAL 55 2.950 0.150 -0.621 390 HG12 VAL 55 HG12 VAL 55 1.901 -0.210 -1.999 391 HG13 VAL 55 HG13 VAL 55 3.616 0.159 -2.266 392 HG21 VAL 55 HG21 VAL 55 3.303 3.754 -1.216 393 HG22 VAL 55 HG22 VAL 55 3.774 2.391 -0.203 394 HG23 VAL 55 HG23 VAL 55 4.466 2.558 -1.830 395 H SER 56 H SER 56 3.871 3.888 -4.023 396 HA SER 56 HA SER 56 5.226 1.791 -5.616 397 HB2 SER 56 HB2 SER 56 5.307 2.809 -7.591 398 HB3 SER 56 HB3 SER 56 3.753 3.443 -7.050 399 HG SER 56 HG SER 56 4.652 5.329 -7.425 400 H PHE 57 H PHE 57 7.318 1.871 -5.884 401 HA PHE 57 HA PHE 57 8.803 3.326 -3.753 402 HB2 PHE 57 HB2 PHE 57 9.604 0.686 -4.999 403 HB3 PHE 57 HB3 PHE 57 10.084 1.373 -3.473 404 HD1 PHE 57 HD1 PHE 57 7.683 2.027 -2.023 405 HD2 PHE 57 HD2 PHE 57 8.359 -1.274 -4.708 406 HE1 PHE 57 HE1 PHE 57 5.966 0.703 -0.825 407 HE2 PHE 57 HE2 PHE 57 6.638 -2.603 -3.494 408 HZ PHE 57 HZ PHE 57 5.471 -1.624 -1.533 409 H SER 58 H SER 58 11.342 2.876 -4.401 410 HA SER 58 HA SER 58 11.736 4.132 -7.091 411 HB2 SER 58 HB2 SER 58 13.694 5.308 -5.886 412 HB3 SER 58 HB3 SER 58 12.042 5.901 -5.648 413 HG SER 58 HG SER 58 11.980 5.162 -3.667 414 H ASN 59 H ASN 59 12.697 1.399 -5.197 415 HA ASN 59 HA ASN 59 14.660 0.786 -7.308 416 HB2 ASN 59 HB2 ASN 59 15.308 0.621 -4.334 417 HB3 ASN 59 HB3 ASN 59 16.301 -0.070 -5.611 418 HD21 ASN 59 HD21 ASN 59 16.922 1.514 -7.397 419 HD22 ASN 59 HD22 ASN 59 17.404 3.118 -6.860 420 H GLU 60 H GLU 60 15.168 -1.326 -7.638 421 HA GLU 60 HA GLU 60 13.014 -3.235 -7.299 422 HB2 GLU 60 HB2 GLU 60 15.868 -3.521 -8.311 423 HB3 GLU 60 HB3 GLU 60 14.666 -4.795 -8.399 424 HG2 GLU 60 HG2 GLU 60 14.185 -2.085 -9.697 425 HG3 GLU 60 HG3 GLU 60 15.104 -3.357 -10.494 426 H GLN 61 H GLN 61 16.328 -3.096 -5.849 427 HA GLN 61 HA GLN 61 15.981 -5.560 -4.377 428 HB2 GLN 61 HB2 GLN 61 17.934 -3.250 -4.129 429 HB3 GLN 61 HB3 GLN 61 18.018 -4.697 -3.114 430 HG2 GLN 61 HG2 GLN 61 18.430 -6.144 -4.971 431 HG3 GLN 61 HG3 GLN 61 17.988 -4.910 -6.149 432 HE21 GLN 61 HE21 GLN 61 19.417 -3.097 -6.475 433 HE22 GLN 61 HE22 GLN 61 21.116 -3.182 -6.037 434 H ALA 62 H ALA 62 15.366 -2.173 -3.552 435 HA ALA 62 HA ALA 62 14.603 -2.547 -0.807 436 HB1 ALA 62 HB1 ALA 62 15.145 -0.340 -1.885 437 HB2 ALA 62 HB2 ALA 62 13.624 -0.454 -2.815 438 HB3 ALA 62 HB3 ALA 62 13.583 -0.346 -1.047 439 H MET 63 H MET 63 12.667 -2.523 -3.873 440 HA MET 63 HA MET 63 10.155 -3.097 -2.737 441 HB2 MET 63 HB2 MET 63 10.481 -2.448 -5.080 442 HB3 MET 63 HB3 MET 63 11.292 -3.981 -5.426 443 HG2 MET 63 HG2 MET 63 9.248 -5.229 -4.929 444 HG3 MET 63 HG3 MET 63 8.425 -3.743 -4.446 445 HE1 MET 63 HE1 MET 63 7.380 -5.991 -6.526 446 HE2 MET 63 HE2 MET 63 6.417 -4.587 -6.009 447 HE3 MET 63 HE3 MET 63 6.617 -4.942 -7.741 448 H GLN 64 H GLN 64 12.780 -5.444 -3.567 449 HA GLN 64 HA GLN 64 11.057 -7.703 -2.884 450 HB2 GLN 64 HB2 GLN 64 14.009 -7.492 -3.494 451 HB3 GLN 64 HB3 GLN 64 13.151 -9.007 -3.139 452 HG2 GLN 64 HG2 GLN 64 11.854 -8.900 -5.122 453 HG3 GLN 64 HG3 GLN 64 12.190 -7.189 -5.375 454 HE21 GLN 64 HE21 GLN 64 14.295 -6.537 -6.129 455 HE22 GLN 64 HE22 GLN 64 15.278 -7.681 -7.045 456 H ASP 65 H ASP 65 13.483 -5.832 -1.029 457 HA ASP 65 HA ASP 65 13.438 -7.638 1.265 458 HB2 ASP 65 HB2 ASP 65 15.235 -5.947 0.829 459 HB3 ASP 65 HB3 ASP 65 14.075 -4.662 1.151 460 H ALA 66 H ALA 66 11.449 -4.886 0.139 461 HA ALA 66 HA ALA 66 9.778 -4.831 2.497 462 HB1 ALA 66 HB1 ALA 66 10.075 -2.878 1.093 463 HB2 ALA 66 HB2 ALA 66 9.331 -3.708 -0.294 464 HB3 ALA 66 HB3 ALA 66 8.362 -3.343 1.151 465 H ILE 67 H ILE 67 8.992 -6.069 -0.831 466 HA ILE 67 HA ILE 67 6.463 -7.051 -0.151 467 HB ILE 67 HB ILE 67 8.390 -7.876 -2.332 468 HG12 ILE 67 HG12 ILE 67 7.519 -5.525 -2.408 469 HG13 ILE 67 HG13 ILE 67 7.105 -6.500 -3.803 470 HG21 ILE 67 HG21 ILE 67 5.486 -8.740 -2.039 471 HG22 ILE 67 HG22 ILE 67 6.426 -8.855 -3.539 472 HG23 ILE 67 HG23 ILE 67 6.916 -9.783 -2.123 473 HD11 ILE 67 HD11 ILE 67 4.786 -6.720 -2.973 474 HD12 ILE 67 HD12 ILE 67 5.224 -5.797 -1.509 475 HD13 ILE 67 HD13 ILE 67 5.278 -5.029 -3.101 476 H GLU 68 H GLU 68 9.571 -8.913 0.141 477 HA GLU 68 HA GLU 68 8.158 -11.265 1.125 478 HB2 GLU 68 HB2 GLU 68 10.419 -11.268 0.094 479 HB3 GLU 68 HB3 GLU 68 11.062 -10.470 1.539 480 HG2 GLU 68 HG2 GLU 68 10.411 -12.414 2.918 481 HG3 GLU 68 HG3 GLU 68 9.640 -13.173 1.520 482 H GLY 69 H GLY 69 9.162 -8.290 2.714 483 HA2 GLY 69 HA2 GLY 69 8.799 -9.380 5.456 484 HA3 GLY 69 HA3 GLY 69 9.438 -7.802 5.004 485 H MET 70 H MET 70 6.877 -7.778 3.117 486 HA MET 70 HA MET 70 5.136 -6.317 4.980 487 HB2 MET 70 HB2 MET 70 5.262 -6.821 2.000 488 HB3 MET 70 HB3 MET 70 3.817 -6.096 2.706 489 HG2 MET 70 HG2 MET 70 6.583 -4.944 3.239 490 HG3 MET 70 HG3 MET 70 5.736 -4.591 1.740 491 HE1 MET 70 HE1 MET 70 6.785 -2.378 3.858 492 HE2 MET 70 HE2 MET 70 6.037 -2.059 2.271 493 HE3 MET 70 HE3 MET 70 5.417 -1.249 3.726 494 H ASN 71 H ASN 71 4.875 -9.305 3.000 495 HA ASN 71 HA ASN 71 2.077 -9.335 3.090 496 HB2 ASN 71 HB2 ASN 71 3.705 -10.530 1.504 497 HB3 ASN 71 HB3 ASN 71 3.830 -11.780 2.727 498 HD21 ASN 71 HD21 ASN 71 2.833 -13.397 1.525 499 HD22 ASN 71 HD22 ASN 71 1.213 -13.269 0.844 500 H GLY 72 H GLY 72 0.761 -9.505 4.741 501 HA2 GLY 72 HA2 GLY 72 -0.348 -10.570 6.490 502 HA3 GLY 72 HA3 GLY 72 0.986 -11.696 6.702 503 H LYS 73 H LYS 73 2.231 -8.472 6.705 504 HA LYS 73 HA LYS 73 2.868 -8.527 9.501 505 HB2 LYS 73 HB2 LYS 73 3.765 -7.099 7.379 506 HB3 LYS 73 HB3 LYS 73 2.713 -5.870 8.071 507 HG2 LYS 73 HG2 LYS 73 5.021 -7.307 9.460 508 HG3 LYS 73 HG3 LYS 73 5.084 -5.707 8.726 509 HD2 LYS 73 HD2 LYS 73 3.375 -4.904 10.377 510 HD3 LYS 73 HD3 LYS 73 3.467 -6.497 11.173 511 HE2 LYS 73 HE2 LYS 73 5.914 -6.184 11.480 512 HE3 LYS 73 HE3 LYS 73 5.782 -4.553 10.794 513 HZ1 LYS 73 HZ1 LYS 73 4.367 -5.512 13.216 514 HZ2 LYS 73 HZ2 LYS 73 4.339 -3.954 12.655 515 HZ3 LYS 73 HZ3 LYS 73 5.728 -4.635 13.249 516 H GLU 74 H GLU 74 1.763 -7.882 11.302 517 HA GLU 74 HA GLU 74 -0.950 -6.757 11.060 518 HB2 GLU 74 HB2 GLU 74 -0.298 -8.392 12.840 519 HB3 GLU 74 HB3 GLU 74 0.709 -7.137 13.575 520 HG2 GLU 74 HG2 GLU 74 -1.272 -5.694 13.868 521 HG3 GLU 74 HG3 GLU 74 -2.282 -6.856 13.004 522 H LEU 75 H LEU 75 -1.147 -4.761 10.407 523 HA LEU 75 HA LEU 75 0.707 -2.630 11.331 524 HB2 LEU 75 HB2 LEU 75 1.283 -3.591 9.104 525 HB3 LEU 75 HB3 LEU 75 -0.268 -3.051 8.476 526 HG LEU 75 HG LEU 75 1.277 -0.928 9.917 527 HD11 LEU 75 HD11 LEU 75 2.362 -2.034 7.304 528 HD12 LEU 75 HD12 LEU 75 3.099 -2.193 8.923 529 HD13 LEU 75 HD13 LEU 75 2.929 -0.590 8.188 530 HD21 LEU 75 HD21 LEU 75 0.066 -1.023 7.121 531 HD22 LEU 75 HD22 LEU 75 0.655 0.421 7.976 532 HD23 LEU 75 HD23 LEU 75 -0.767 -0.449 8.582 533 H ASP 76 H ASP 76 -0.143 -0.830 11.902 534 HA ASP 76 HA ASP 76 -1.678 0.546 12.821 535 HB2 ASP 76 HB2 ASP 76 -1.765 1.159 10.375 536 HB3 ASP 76 HB3 ASP 76 -3.245 0.205 10.232 537 H GLY 77 H GLY 77 -2.158 -2.414 13.246 538 HA2 GLY 77 HA2 GLY 77 -3.631 -3.481 14.735 539 HA3 GLY 77 HA3 GLY 77 -4.853 -2.248 14.481 540 H ARG 78 H ARG 78 -3.648 -3.498 11.470 541 HA ARG 78 HA ARG 78 -5.734 -5.642 11.267 542 HB2 ARG 78 HB2 ARG 78 -5.021 -3.427 9.316 543 HB3 ARG 78 HB3 ARG 78 -6.166 -4.721 8.966 544 HG2 ARG 78 HG2 ARG 78 -6.541 -2.641 11.182 545 HG3 ARG 78 HG3 ARG 78 -7.180 -2.503 9.563 546 HD2 ARG 78 HD2 ARG 78 -8.491 -4.570 9.851 547 HD3 ARG 78 HD3 ARG 78 -7.795 -4.833 11.449 548 HE ARG 78 HE ARG 78 -9.789 -2.774 10.652 549 HH11 ARG 78 HH11 ARG 78 -7.780 -3.898 13.343 550 HH12 ARG 78 HH12 ARG 78 -9.024 -3.473 14.508 551 HH21 ARG 78 HH21 ARG 78 -11.221 -2.208 12.237 552 HH22 ARG 78 HH22 ARG 78 -10.783 -2.307 13.918 553 H SER 79 H SER 79 -5.301 -7.153 9.432 554 HA SER 79 HA SER 79 -2.379 -7.632 9.147 555 HB2 SER 79 HB2 SER 79 -4.048 -9.439 9.767 556 HB3 SER 79 HB3 SER 79 -4.584 -9.395 8.076 557 HG SER 79 HG SER 79 -2.727 -10.207 7.445 558 H ILE 80 H ILE 80 -1.233 -6.963 7.427 559 HA ILE 80 HA ILE 80 -2.678 -5.874 5.116 560 HB ILE 80 HB ILE 80 -0.834 -4.659 6.358 561 HG12 ILE 80 HG12 ILE 80 -0.474 -4.852 3.334 562 HG13 ILE 80 HG13 ILE 80 -1.781 -3.975 4.126 563 HG21 ILE 80 HG21 ILE 80 1.462 -5.100 5.836 564 HG22 ILE 80 HG22 ILE 80 0.760 -6.642 6.323 565 HG23 ILE 80 HG23 ILE 80 1.027 -6.303 4.606 566 HD11 ILE 80 HD11 ILE 80 -0.082 -2.541 5.276 567 HD12 ILE 80 HD12 ILE 80 1.189 -3.354 4.330 568 HD13 ILE 80 HD13 ILE 80 -0.063 -2.411 3.506 569 H VAL 81 H VAL 81 -2.160 -6.216 2.950 570 HA VAL 81 HA VAL 81 -0.982 -8.861 2.217 571 HB VAL 81 HB VAL 81 -3.541 -7.602 1.137 572 HG11 VAL 81 HG11 VAL 81 -2.333 -8.591 -0.750 573 HG12 VAL 81 HG12 VAL 81 -2.052 -10.085 0.179 574 HG13 VAL 81 HG13 VAL 81 -3.693 -9.616 -0.314 575 HG21 VAL 81 HG21 VAL 81 -4.576 -9.741 1.875 576 HG22 VAL 81 HG22 VAL 81 -3.021 -10.245 2.571 577 HG23 VAL 81 HG23 VAL 81 -3.897 -8.848 3.234 578 H VAL 82 H VAL 82 0.256 -8.803 0.335 579 HA VAL 82 HA VAL 82 0.509 -6.201 -1.085 580 HB VAL 82 HB VAL 82 2.922 -6.538 -1.344 581 HG11 VAL 82 HG11 VAL 82 3.405 -5.346 0.675 582 HG12 VAL 82 HG12 VAL 82 1.820 -4.868 0.101 583 HG13 VAL 82 HG13 VAL 82 1.930 -5.993 1.473 584 HG21 VAL 82 HG21 VAL 82 4.180 -7.773 0.300 585 HG22 VAL 82 HG22 VAL 82 2.692 -8.316 1.106 586 HG23 VAL 82 HG23 VAL 82 3.108 -8.901 -0.516 587 H ASN 83 H ASN 83 0.605 -6.371 -3.312 588 HA ASN 83 HA ASN 83 2.169 -8.501 -4.463 589 HB2 ASN 83 HB2 ASN 83 0.487 -9.294 -6.122 590 HB3 ASN 83 HB3 ASN 83 0.158 -9.799 -4.474 591 HD21 ASN 83 HD21 ASN 83 -1.902 -9.522 -3.775 592 HD22 ASN 83 HD22 ASN 83 -3.061 -8.425 -4.512 593 H GLU 84 H GLU 84 2.965 -8.079 -6.465 594 HA GLU 84 HA GLU 84 3.406 -5.444 -7.239 595 HB2 GLU 84 HB2 GLU 84 4.472 -6.394 -9.243 596 HB3 GLU 84 HB3 GLU 84 4.894 -7.232 -7.767 597 HG2 GLU 84 HG2 GLU 84 4.517 -9.095 -8.934 598 HG3 GLU 84 HG3 GLU 84 2.819 -8.840 -8.576 599 H ALA 85 H ALA 85 2.938 -4.203 -9.058 600 HA ALA 85 HA ALA 85 0.257 -4.657 -10.277 601 HB1 ALA 85 HB1 ALA 85 1.595 -2.008 -9.659 602 HB2 ALA 85 HB2 ALA 85 -0.097 -2.304 -10.124 603 HB3 ALA 85 HB3 ALA 85 0.481 -2.849 -8.552 604 H GLN 86 H GLN 86 2.866 -5.582 -11.397 605 HA GLN 86 HA GLN 86 3.370 -3.833 -13.752 606 HB2 GLN 86 HB2 GLN 86 5.267 -4.625 -12.334 607 HB3 GLN 86 HB3 GLN 86 4.861 -6.290 -12.775 608 HG2 GLN 86 HG2 GLN 86 5.219 -5.652 -15.210 609 HG3 GLN 86 HG3 GLN 86 5.732 -4.053 -14.667 610 HE21 GLN 86 HE21 GLN 86 6.563 -7.513 -14.750 611 HE22 GLN 86 HE22 GLN 86 8.281 -7.253 -14.406 612 H SER 87 H SER 87 2.355 -7.160 -12.911 613 HA SER 87 HA SER 87 2.274 -8.087 -15.642 614 HB2 SER 87 HB2 SER 87 1.060 -9.267 -13.115 615 HB3 SER 87 HB3 SER 87 1.199 -10.087 -14.684 616 HG SER 87 HG SER 87 3.169 -9.475 -12.790 617 H ARG 88 H ARG 88 -0.283 -6.815 -13.506 618 HA ARG 88 HA ARG 88 -2.494 -7.286 -15.278 619 HB2 ARG 88 HB2 ARG 88 -2.466 -6.627 -12.760 620 HB3 ARG 88 HB3 ARG 88 -2.237 -4.971 -13.321 621 HG2 ARG 88 HG2 ARG 88 -4.426 -5.458 -14.765 622 HG3 ARG 88 HG3 ARG 88 -4.612 -6.833 -13.681 623 HD2 ARG 88 HD2 ARG 88 -5.906 -5.078 -12.744 624 HD3 ARG 88 HD3 ARG 88 -4.462 -5.168 -11.740 625 HE ARG 88 HE ARG 88 -4.960 -3.136 -13.923 626 HH11 ARG 88 HH11 ARG 88 -3.505 -3.686 -10.708 627 HH12 ARG 88 HH12 ARG 88 -2.821 -2.052 -10.793 628 HH21 ARG 88 HH21 ARG 88 -4.158 -1.208 -13.766 629 HH22 ARG 88 HH22 ARG 88 -3.190 -0.730 -12.360 630 H GLY 89 H GLY 89 -0.042 -4.760 -15.299 631 HA2 GLY 89 HA2 GLY 89 -1.537 -2.838 -16.848 632 HA3 GLY 89 HA3 GLY 89 0.187 -2.799 -16.511 633 H TYR 90 H TYR 90 -0.387 -5.778 -17.973 634 HA TYR 90 HA TYR 90 0.778 -4.927 -20.476 635 HB2 TYR 90 HB2 TYR 90 1.059 -7.162 -19.253 636 HB3 TYR 90 HB3 TYR 90 -0.511 -7.607 -19.919 637 HD1 TYR 90 HD2 TYR 90 2.866 -6.259 -20.890 638 HD2 TYR 90 HD1 TYR 90 -0.567 -8.591 -22.110 639 HE1 TYR 90 HE2 TYR 90 4.031 -6.885 -22.998 640 HE2 TYR 90 HE1 TYR 90 0.626 -9.242 -24.191 641 HH TYR 90 HH TYR 90 2.541 -9.098 -25.387 642 H GLY 91 H GLY 91 -0.144 -4.836 -22.545 643 HA2 GLY 91 HA2 GLY 91 -1.812 -4.499 -24.131 644 HA3 GLY 91 HA3 GLY 91 -3.039 -5.002 -22.969 645 H GLY 92 H GLY 92 -1.380 -2.692 -21.314 646 HA2 GLY 92 HA2 GLY 92 -3.148 -0.417 -22.104 647 HA3 GLY 92 HA3 GLY 92 -2.283 -0.592 -20.580 Start of MODEL 7 1 H1 MET 1 H1 MET 1 17.977 0.842 -18.854 2 H2 MET 1 H2 MET 1 17.475 2.379 -18.538 3 H3 MET 1 H3 MET 1 17.179 1.712 -20.003 4 HA MET 1 HA MET 1 15.787 -0.003 -18.896 5 HB2 MET 1 HB2 MET 1 15.968 1.951 -16.549 6 HB3 MET 1 HB3 MET 1 14.955 0.530 -16.650 7 HG2 MET 1 HG2 MET 1 16.711 -0.118 -15.283 8 HG3 MET 1 HG3 MET 1 17.072 -0.874 -16.834 9 HE1 MET 1 HE1 MET 1 20.590 -0.075 -15.171 10 HE2 MET 1 HE2 MET 1 19.093 -0.504 -14.317 11 HE3 MET 1 HE3 MET 1 19.537 -1.354 -15.819 12 H ALA 2 H ALA 2 13.477 0.344 -18.804 13 HA ALA 2 HA ALA 2 12.518 3.145 -18.944 14 HB1 ALA 2 HB1 ALA 2 11.731 0.990 -20.955 15 HB2 ALA 2 HB2 ALA 2 10.978 2.591 -20.802 16 HB3 ALA 2 HB3 ALA 2 12.677 2.456 -21.299 17 H GLU 3 H GLU 3 11.234 3.294 -17.164 18 HA GLU 3 HA GLU 3 10.033 0.952 -15.991 19 HB2 GLU 3 HB2 GLU 3 9.212 2.457 -14.263 20 HB3 GLU 3 HB3 GLU 3 10.936 2.574 -14.571 21 HG2 GLU 3 HG2 GLU 3 10.457 4.666 -15.970 22 HG3 GLU 3 HG3 GLU 3 8.805 4.608 -15.347 23 H SER 4 H SER 4 8.849 0.207 -17.740 24 HA SER 4 HA SER 4 5.998 1.091 -17.717 25 HB2 SER 4 HB2 SER 4 5.861 0.204 -20.054 26 HB3 SER 4 HB3 SER 4 6.834 1.661 -19.851 27 HG SER 4 HG SER 4 8.065 0.449 -21.072 28 H ASP 5 H ASP 5 4.741 -1.018 -18.735 29 HA ASP 5 HA ASP 5 4.269 -2.390 -16.442 30 HB2 ASP 5 HB2 ASP 5 3.725 -3.289 -19.301 31 HB3 ASP 5 HB3 ASP 5 2.993 -4.032 -17.875 32 H GLY 6 H GLY 6 6.701 -3.523 -18.784 33 HA2 GLY 6 HA2 GLY 6 6.948 -6.230 -17.771 34 HA3 GLY 6 HA3 GLY 6 8.098 -5.347 -18.775 35 H ALA 7 H ALA 7 8.421 -3.104 -16.874 36 HA ALA 7 HA ALA 7 9.696 -4.323 -14.511 37 HB1 ALA 7 HB1 ALA 7 11.917 -3.442 -15.082 38 HB2 ALA 7 HB2 ALA 7 11.368 -4.614 -16.290 39 HB3 ALA 7 HB3 ALA 7 11.300 -2.876 -16.650 40 H GLU 8 H GLU 8 7.841 -3.011 -13.695 41 HA GLU 8 HA GLU 8 8.810 -0.278 -12.981 42 HB2 GLU 8 HB2 GLU 8 6.550 0.531 -12.824 43 HB3 GLU 8 HB3 GLU 8 6.883 -0.040 -14.456 44 HG2 GLU 8 HG2 GLU 8 5.632 -2.144 -13.972 45 HG3 GLU 8 HG3 GLU 8 5.326 -1.582 -12.320 46 H TYR 9 H TYR 9 8.193 0.474 -10.811 47 HA TYR 9 HA TYR 9 8.202 -1.858 -8.939 48 HB2 TYR 9 HB2 TYR 9 9.398 0.808 -8.274 49 HB3 TYR 9 HB3 TYR 9 9.794 -0.784 -7.651 50 HD1 TYR 9 HD1 TYR 9 10.359 -2.383 -10.080 51 HD2 TYR 9 HD2 TYR 9 11.271 1.751 -9.238 52 HE1 TYR 9 HE1 TYR 9 12.022 -2.370 -11.923 53 HE2 TYR 9 HE2 TYR 9 13.010 1.722 -10.997 54 HH TYR 9 HH TYR 9 13.853 0.597 -12.779 55 H ARG 10 H ARG 10 5.907 -1.841 -9.024 56 HA ARG 10 HA ARG 10 4.599 0.024 -7.125 57 HB2 ARG 10 HB2 ARG 10 4.262 0.943 -9.383 58 HB3 ARG 10 HB3 ARG 10 3.625 -0.609 -9.938 59 HG2 ARG 10 HG2 ARG 10 1.678 -0.359 -8.409 60 HG3 ARG 10 HG3 ARG 10 2.354 1.149 -7.786 61 HD2 ARG 10 HD2 ARG 10 0.569 1.579 -9.401 62 HD3 ARG 10 HD3 ARG 10 2.112 2.217 -9.971 63 HE ARG 10 HE ARG 10 2.288 0.394 -11.566 64 HH11 ARG 10 HH11 ARG 10 -1.031 0.795 -10.403 65 HH12 ARG 10 HH12 ARG 10 -1.582 -0.523 -11.408 66 HH21 ARG 10 HH21 ARG 10 1.511 -0.823 -12.977 67 HH22 ARG 10 HH22 ARG 10 -0.191 -1.321 -13.006 68 H CYS 11 H CYS 11 3.106 -0.955 -5.809 69 HA CYS 11 HA CYS 11 1.978 -3.580 -6.512 70 HB2 CYS 11 HB2 CYS 11 2.830 -4.739 -4.549 71 HB3 CYS 11 HB3 CYS 11 4.149 -4.152 -5.562 72 HG CYS 11 HG CYS 11 4.824 -3.957 -3.040 73 H PHE 12 H PHE 12 0.395 -4.387 -5.031 74 HA PHE 12 HA PHE 12 -1.445 -2.228 -4.173 75 HB2 PHE 12 HB2 PHE 12 -2.085 -3.816 -5.956 76 HB3 PHE 12 HB3 PHE 12 -1.818 -5.166 -4.868 77 HD1 PHE 12 HD2 PHE 12 -4.066 -2.381 -5.761 78 HD2 PHE 12 HD1 PHE 12 -3.437 -5.715 -3.098 79 HE1 PHE 12 HE2 PHE 12 -6.461 -2.312 -5.103 80 HE2 PHE 12 HE1 PHE 12 -5.836 -5.646 -2.449 81 HZ PHE 12 HZ PHE 12 -7.349 -3.954 -3.457 82 H VAL 13 H VAL 13 -2.576 -2.331 -2.179 83 HA VAL 13 HA VAL 13 -1.617 -4.237 -0.105 84 HB VAL 13 HB VAL 13 -1.797 -2.245 1.535 85 HG11 VAL 13 HG11 VAL 13 0.562 -1.740 1.346 86 HG12 VAL 13 HG12 VAL 13 0.238 -3.473 1.176 87 HG13 VAL 13 HG13 VAL 13 0.619 -2.492 -0.271 88 HG21 VAL 13 HG21 VAL 13 -1.057 -0.074 0.747 89 HG22 VAL 13 HG22 VAL 13 -1.019 -0.640 -0.934 90 HG23 VAL 13 HG23 VAL 13 -2.564 -0.505 -0.063 91 H GLY 14 H GLY 14 -3.175 -5.108 1.037 92 HA2 GLY 14 HA2 GLY 14 -5.772 -3.645 1.467 93 HA3 GLY 14 HA3 GLY 14 -5.572 -5.391 1.625 94 H SER 15 H SER 15 -6.228 -3.014 3.537 95 HA SER 15 HA SER 15 -5.732 -4.198 5.932 96 HB2 SER 15 HB2 SER 15 -3.900 -2.644 6.968 97 HB3 SER 15 HB3 SER 15 -3.419 -4.053 6.033 98 HG SER 15 HG SER 15 -2.932 -2.800 4.335 99 H LEU 16 H LEU 16 -6.559 -1.312 4.213 100 HA LEU 16 HA LEU 16 -6.373 0.428 6.514 101 HB2 LEU 16 HB2 LEU 16 -7.754 1.138 3.954 102 HB3 LEU 16 HB3 LEU 16 -7.057 2.234 5.081 103 HG LEU 16 HG LEU 16 -5.699 0.417 3.069 104 HD11 LEU 16 HD11 LEU 16 -6.774 2.718 2.653 105 HD12 LEU 16 HD12 LEU 16 -5.095 2.481 2.072 106 HD13 LEU 16 HD13 LEU 16 -5.420 3.400 3.561 107 HD21 LEU 16 HD21 LEU 16 -4.263 0.331 5.097 108 HD22 LEU 16 HD22 LEU 16 -4.281 2.112 5.165 109 HD23 LEU 16 HD23 LEU 16 -3.534 1.272 3.791 110 H SER 17 H SER 17 -7.932 1.710 7.304 111 HA SER 17 HA SER 17 -10.826 1.006 7.254 112 HB2 SER 17 HB2 SER 17 -9.272 1.478 9.829 113 HB3 SER 17 HB3 SER 17 -10.993 1.109 9.675 114 HG SER 17 HG SER 17 -8.740 -0.539 9.283 115 H TRP 18 H TRP 18 -12.055 2.831 8.491 116 HA TRP 18 HA TRP 18 -11.768 5.353 7.493 117 HB2 TRP 18 HB2 TRP 18 -13.211 6.076 9.306 118 HB3 TRP 18 HB3 TRP 18 -13.695 4.476 8.765 119 HD1 TRP 18 HD1 TRP 18 -13.170 2.427 10.477 120 HE1 TRP 18 HE1 TRP 18 -12.696 2.323 12.980 121 HE3 TRP 18 HE3 TRP 18 -12.354 7.413 11.356 122 HZ2 TRP 18 HZ2 TRP 18 -12.026 4.163 15.110 123 HZ3 TRP 18 HZ3 TRP 18 -11.727 8.195 13.627 124 HH2 TRP 18 HH2 TRP 18 -11.554 6.574 15.506 125 H ASN 19 H ASN 19 -9.935 4.221 10.344 126 HA ASN 19 HA ASN 19 -8.804 6.927 10.726 127 HB2 ASN 19 HB2 ASN 19 -9.821 5.596 12.627 128 HB3 ASN 19 HB3 ASN 19 -8.430 4.540 12.532 129 HD21 ASN 19 HD21 ASN 19 -6.921 5.087 14.083 130 HD22 ASN 19 HD22 ASN 19 -6.590 6.761 14.550 131 H THR 20 H THR 20 -7.967 4.316 8.861 132 HA THR 20 HA THR 20 -5.063 4.973 8.934 133 HB THR 20 HB THR 20 -5.974 3.125 6.818 134 HG1 THR 20 HG1 THR 20 -5.966 2.277 9.522 135 HG21 THR 20 HG21 THR 20 -3.587 3.567 7.264 136 HG22 THR 20 HG22 THR 20 -3.980 1.862 7.548 137 HG23 THR 20 HG23 THR 20 -3.780 2.961 8.923 138 H ASP 21 H ASP 21 -4.080 5.774 6.986 139 HA ASP 21 HA ASP 21 -5.724 6.067 4.647 140 HB2 ASP 21 HB2 ASP 21 -4.472 8.537 6.014 141 HB3 ASP 21 HB3 ASP 21 -4.909 8.544 4.318 142 H ASP 22 H ASP 22 -3.957 7.511 3.010 143 HA ASP 22 HA ASP 22 -1.915 5.634 2.372 144 HB2 ASP 22 HB2 ASP 22 -1.009 7.493 0.918 145 HB3 ASP 22 HB3 ASP 22 -2.617 6.956 0.558 146 H ARG 23 H ARG 23 -1.638 8.748 4.127 147 HA ARG 23 HA ARG 23 1.176 8.850 4.306 148 HB2 ARG 23 HB2 ARG 23 -1.029 9.897 6.107 149 HB3 ARG 23 HB3 ARG 23 0.662 10.169 6.511 150 HG2 ARG 23 HG2 ARG 23 0.991 11.726 4.931 151 HG3 ARG 23 HG3 ARG 23 0.095 10.852 3.689 152 HD2 ARG 23 HD2 ARG 23 -1.271 12.333 5.958 153 HD3 ARG 23 HD3 ARG 23 -0.876 13.095 4.405 154 HE ARG 23 HE ARG 23 -2.204 10.867 3.567 155 HH11 ARG 23 HH11 ARG 23 -3.266 13.334 5.859 156 HH12 ARG 23 HH12 ARG 23 -4.943 12.992 5.507 157 HH21 ARG 23 HH21 ARG 23 -4.154 10.598 3.121 158 HH22 ARG 23 HH22 ARG 23 -5.464 11.541 3.861 159 H GLY 24 H GLY 24 -0.969 7.204 6.679 160 HA2 GLY 24 HA2 GLY 24 1.151 6.411 8.415 161 HA3 GLY 24 HA3 GLY 24 -0.442 5.643 8.299 162 H LEU 25 H LEU 25 -0.121 4.830 5.477 163 HA LEU 25 HA LEU 25 1.700 2.536 5.743 164 HB2 LEU 25 HB2 LEU 25 -0.260 3.510 3.665 165 HB3 LEU 25 HB3 LEU 25 0.988 2.378 3.178 166 HG LEU 25 HG LEU 25 -1.180 1.327 3.732 167 HD11 LEU 25 HD11 LEU 25 -0.243 -0.563 4.979 168 HD12 LEU 25 HD12 LEU 25 1.168 0.413 5.435 169 HD13 LEU 25 HD13 LEU 25 0.875 0.010 3.736 170 HD21 LEU 25 HD21 LEU 25 -1.854 0.954 6.033 171 HD22 LEU 25 HD22 LEU 25 -1.802 2.698 5.705 172 HD23 LEU 25 HD23 LEU 25 -0.500 1.926 6.641 173 H GLU 26 H GLU 26 1.772 5.661 3.955 174 HA GLU 26 HA GLU 26 4.166 5.201 2.529 175 HB2 GLU 26 HB2 GLU 26 2.543 7.192 2.332 176 HB3 GLU 26 HB3 GLU 26 3.389 7.885 3.723 177 HG2 GLU 26 HG2 GLU 26 5.559 7.511 2.304 178 HG3 GLU 26 HG3 GLU 26 4.460 7.274 0.946 179 H ALA 27 H ALA 27 3.781 6.456 5.920 180 HA ALA 27 HA ALA 27 6.560 6.740 6.465 181 HB1 ALA 27 HB1 ALA 27 4.155 6.134 8.245 182 HB2 ALA 27 HB2 ALA 27 5.731 6.730 8.792 183 HB3 ALA 27 HB3 ALA 27 4.720 7.747 7.756 184 H ALA 28 H ALA 28 4.371 3.904 6.844 185 HA ALA 28 HA ALA 28 6.373 2.192 8.021 186 HB1 ALA 28 HB1 ALA 28 3.759 1.500 6.613 187 HB2 ALA 28 HB2 ALA 28 4.687 0.433 7.686 188 HB3 ALA 28 HB3 ALA 28 3.934 1.896 8.339 189 H PHE 29 H PHE 29 5.566 2.953 4.667 190 HA PHE 29 HA PHE 29 7.334 0.883 3.596 191 HB2 PHE 29 HB2 PHE 29 5.622 3.066 2.386 192 HB3 PHE 29 HB3 PHE 29 6.818 2.223 1.419 193 HD1 PHE 29 HD1 PHE 29 6.800 -0.453 1.739 194 HD2 PHE 29 HD2 PHE 29 3.423 2.191 2.110 195 HE1 PHE 29 HE1 PHE 29 5.268 -2.317 1.128 196 HE2 PHE 29 HE2 PHE 29 1.899 0.322 1.529 197 HZ PHE 29 HZ PHE 29 2.831 -1.943 1.052 198 H SER 30 H SER 30 7.603 4.335 4.295 199 HA SER 30 HA SER 30 9.945 4.881 2.805 200 HB2 SER 30 HB2 SER 30 9.077 6.084 5.465 201 HB3 SER 30 HB3 SER 30 10.307 6.750 4.375 202 HG SER 30 HG SER 30 7.550 6.334 3.790 203 H SER 31 H SER 31 9.536 3.055 5.775 204 HA SER 31 HA SER 31 12.188 2.895 6.762 205 HB2 SER 31 HB2 SER 31 9.967 0.807 6.728 206 HB3 SER 31 HB3 SER 31 11.405 0.756 7.760 207 HG SER 31 HG SER 31 10.726 2.508 8.866 208 H PHE 32 H PHE 32 10.915 1.515 3.776 209 HA PHE 32 HA PHE 32 13.159 -0.433 3.650 210 HB2 PHE 32 HB2 PHE 32 10.851 -0.135 1.734 211 HB3 PHE 32 HB3 PHE 32 12.054 -1.416 1.758 212 HD1 PHE 32 HD1 PHE 32 12.170 -2.965 3.866 213 HD2 PHE 32 HD2 PHE 32 8.907 -0.314 3.005 214 HE1 PHE 32 HE1 PHE 32 10.726 -4.197 5.486 215 HE2 PHE 32 HE2 PHE 32 7.480 -1.512 4.647 216 HZ PHE 32 HZ PHE 32 8.397 -3.473 5.884 217 H GLY 33 H GLY 33 12.056 2.547 2.004 218 HA2 GLY 33 HA2 GLY 33 14.645 3.294 1.157 219 HA3 GLY 33 HA3 GLY 33 13.941 2.384 -0.175 220 H GLU 34 H GLU 34 14.186 4.404 -1.411 221 HA GLU 34 HA GLU 34 12.555 6.679 -0.704 222 HB2 GLU 34 HB2 GLU 34 14.658 6.929 -1.910 223 HB3 GLU 34 HB3 GLU 34 13.969 6.094 -3.315 224 HG2 GLU 34 HG2 GLU 34 12.272 7.863 -3.571 225 HG3 GLU 34 HG3 GLU 34 12.805 8.625 -2.076 226 H ILE 35 H ILE 35 10.632 7.271 -1.213 227 HA ILE 35 HA ILE 35 8.897 5.481 -2.830 228 HB ILE 35 HB ILE 35 8.618 5.234 -0.463 229 HG12 ILE 35 HG12 ILE 35 6.178 6.782 -1.379 230 HG13 ILE 35 HG13 ILE 35 6.633 5.253 -2.141 231 HG21 ILE 35 HG21 ILE 35 7.789 7.046 1.005 232 HG22 ILE 35 HG22 ILE 35 9.370 7.442 0.367 233 HG23 ILE 35 HG23 ILE 35 7.920 8.209 -0.319 234 HD11 ILE 35 HD11 ILE 35 6.433 4.027 -0.118 235 HD12 ILE 35 HD12 ILE 35 6.236 5.485 0.863 236 HD13 ILE 35 HD13 ILE 35 4.969 5.026 -0.306 237 H LEU 36 H LEU 36 7.412 6.272 -4.213 238 HA LEU 36 HA LEU 36 7.648 9.165 -4.939 239 HB2 LEU 36 HB2 LEU 36 6.893 6.705 -6.561 240 HB3 LEU 36 HB3 LEU 36 6.878 8.357 -7.173 241 HG LEU 36 HG LEU 36 9.353 6.876 -6.179 242 HD11 LEU 36 HD11 LEU 36 8.455 7.640 -8.990 243 HD12 LEU 36 HD12 LEU 36 8.440 6.001 -8.303 244 HD13 LEU 36 HD13 LEU 36 9.981 6.845 -8.546 245 HD21 LEU 36 HD21 LEU 36 9.037 9.623 -7.480 246 HD22 LEU 36 HD22 LEU 36 10.582 8.780 -7.242 247 HD23 LEU 36 HD23 LEU 36 9.644 9.287 -5.841 248 H ASP 37 H ASP 37 5.233 6.695 -4.075 249 HA ASP 37 HA ASP 37 3.323 8.693 -3.369 250 HB2 ASP 37 HB2 ASP 37 3.045 7.433 -6.095 251 HB3 ASP 37 HB3 ASP 37 1.601 7.423 -5.112 252 H ALA 38 H ALA 38 1.502 7.844 -2.288 253 HA ALA 38 HA ALA 38 0.965 5.008 -2.668 254 HB1 ALA 38 HB1 ALA 38 0.272 4.721 -0.298 255 HB2 ALA 38 HB2 ALA 38 2.011 5.046 -0.443 256 HB3 ALA 38 HB3 ALA 38 0.909 6.337 0.079 257 H LYS 39 H LYS 39 -1.242 4.586 -2.781 258 HA LYS 39 HA LYS 39 -3.078 6.951 -2.953 259 HB2 LYS 39 HB2 LYS 39 -2.834 5.832 -5.091 260 HB3 LYS 39 HB3 LYS 39 -3.135 4.262 -4.353 261 HG2 LYS 39 HG2 LYS 39 -5.100 4.936 -5.558 262 HG3 LYS 39 HG3 LYS 39 -5.497 4.934 -3.849 263 HD2 LYS 39 HD2 LYS 39 -5.188 7.451 -3.833 264 HD3 LYS 39 HD3 LYS 39 -4.843 7.376 -5.573 265 HE2 LYS 39 HE2 LYS 39 -7.088 6.306 -5.923 266 HE3 LYS 39 HE3 LYS 39 -7.416 6.467 -4.195 267 HZ1 LYS 39 HZ1 LYS 39 -6.892 8.738 -6.033 268 HZ2 LYS 39 HZ2 LYS 39 -7.250 8.888 -4.456 269 HZ3 LYS 39 HZ3 LYS 39 -8.380 8.290 -5.490 270 H ILE 40 H ILE 40 -4.820 7.033 -1.691 271 HA ILE 40 HA ILE 40 -5.857 4.509 -0.490 272 HB ILE 40 HB ILE 40 -4.879 5.771 1.297 273 HG12 ILE 40 HG12 ILE 40 -7.205 4.564 1.429 274 HG13 ILE 40 HG13 ILE 40 -6.518 5.409 2.795 275 HG21 ILE 40 HG21 ILE 40 -5.675 8.004 2.008 276 HG22 ILE 40 HG22 ILE 40 -4.925 8.059 0.407 277 HG23 ILE 40 HG23 ILE 40 -6.677 8.124 0.556 278 HD11 ILE 40 HD11 ILE 40 -8.019 7.273 2.534 279 HD12 ILE 40 HD12 ILE 40 -8.650 6.645 1.011 280 HD13 ILE 40 HD13 ILE 40 -8.943 5.771 2.526 281 H ILE 41 H ILE 41 -8.044 4.149 -0.740 282 HA ILE 41 HA ILE 41 -9.665 6.488 -1.562 283 HB ILE 41 HB ILE 41 -9.277 5.329 -3.564 284 HG12 ILE 41 HG12 ILE 41 -11.585 4.789 -4.296 285 HG13 ILE 41 HG13 ILE 41 -12.133 4.930 -2.625 286 HG21 ILE 41 HG21 ILE 41 -9.481 2.901 -2.005 287 HG22 ILE 41 HG22 ILE 41 -10.564 2.822 -3.399 288 HG23 ILE 41 HG23 ILE 41 -8.840 3.181 -3.621 289 HD11 ILE 41 HD11 ILE 41 -11.478 7.307 -2.580 290 HD12 ILE 41 HD12 ILE 41 -10.813 7.158 -4.221 291 HD13 ILE 41 HD13 ILE 41 -12.555 6.968 -3.939 292 H ASN 42 H ASN 42 -11.427 6.881 -0.664 293 HA ASN 42 HA ASN 42 -13.103 5.162 0.944 294 HB2 ASN 42 HB2 ASN 42 -11.196 5.744 2.491 295 HB3 ASN 42 HB3 ASN 42 -11.487 7.451 2.198 296 HD21 ASN 42 HD21 ASN 42 -11.361 6.806 4.768 297 HD22 ASN 42 HD22 ASN 42 -12.999 6.716 5.444 298 H ASP 43 H ASP 43 -15.131 6.385 1.377 299 HA ASP 43 HA ASP 43 -15.137 9.171 0.329 300 HB2 ASP 43 HB2 ASP 43 -16.697 7.775 -1.011 301 HB3 ASP 43 HB3 ASP 43 -17.668 7.540 0.444 302 H ARG 44 H ARG 44 -14.362 10.005 2.151 303 HA ARG 44 HA ARG 44 -15.080 9.612 4.838 304 HB2 ARG 44 HB2 ARG 44 -13.701 11.660 3.196 305 HB3 ARG 44 HB3 ARG 44 -14.520 12.367 4.577 306 HG2 ARG 44 HG2 ARG 44 -13.321 10.910 6.128 307 HG3 ARG 44 HG3 ARG 44 -12.539 10.063 4.774 308 HD2 ARG 44 HD2 ARG 44 -11.425 12.150 4.070 309 HD3 ARG 44 HD3 ARG 44 -12.322 13.066 5.277 310 HE ARG 44 HE ARG 44 -10.697 12.595 6.797 311 HH11 ARG 44 HH11 ARG 44 -10.356 10.049 4.386 312 HH12 ARG 44 HH12 ARG 44 -8.891 9.474 5.169 313 HH21 ARG 44 HH21 ARG 44 -8.832 11.872 7.578 314 HH22 ARG 44 HH22 ARG 44 -8.095 10.419 6.904 315 H GLU 45 H GLU 45 -16.989 11.239 2.404 316 HA GLU 45 HA GLU 45 -18.532 12.978 4.020 317 HB2 GLU 45 HB2 GLU 45 -18.372 12.899 1.541 318 HB3 GLU 45 HB3 GLU 45 -19.392 11.454 1.524 319 HG2 GLU 45 HG2 GLU 45 -21.275 12.698 2.384 320 HG3 GLU 45 HG3 GLU 45 -20.256 14.089 2.776 321 H THR 46 H THR 46 -18.980 9.515 3.338 322 HA THR 46 HA THR 46 -20.996 9.375 5.562 323 HB THR 46 HB THR 46 -21.940 9.003 3.284 324 HG1 THR 46 HG1 THR 46 -22.059 6.748 4.976 325 HG21 THR 46 HG21 THR 46 -21.612 6.812 2.222 326 HG22 THR 46 HG22 THR 46 -20.321 6.421 3.367 327 HG23 THR 46 HG23 THR 46 -20.116 7.758 2.211 328 H GLY 47 H GLY 47 -17.911 8.349 4.490 329 HA2 GLY 47 HA2 GLY 47 -16.331 7.256 5.780 330 HA3 GLY 47 HA3 GLY 47 -17.577 6.543 6.810 331 H ARG 48 H ARG 48 -17.507 6.408 3.223 332 HA ARG 48 HA ARG 48 -17.733 3.461 3.352 333 HB2 ARG 48 HB2 ARG 48 -19.139 4.815 1.765 334 HB3 ARG 48 HB3 ARG 48 -17.662 5.247 0.900 335 HG2 ARG 48 HG2 ARG 48 -17.376 2.508 0.970 336 HG3 ARG 48 HG3 ARG 48 -19.131 2.621 1.035 337 HD2 ARG 48 HD2 ARG 48 -19.110 3.959 -1.053 338 HD3 ARG 48 HD3 ARG 48 -17.335 3.969 -1.025 339 HE ARG 48 HE ARG 48 -18.369 1.266 -0.986 340 HH11 ARG 48 HH11 ARG 48 -17.870 3.930 -3.216 341 HH12 ARG 48 HH12 ARG 48 -17.411 2.825 -4.519 342 HH21 ARG 48 HH21 ARG 48 -17.930 -0.051 -2.788 343 HH22 ARG 48 HH22 ARG 48 -17.716 0.726 -4.350 344 H SER 49 H SER 49 -15.654 3.098 4.325 345 HA SER 49 HA SER 49 -13.199 3.628 2.952 346 HB2 SER 49 HB2 SER 49 -12.325 1.801 4.500 347 HB3 SER 49 HB3 SER 49 -13.061 3.226 5.248 348 HG SER 49 HG SER 49 -13.911 1.538 6.300 349 H ARG 50 H ARG 50 -12.477 2.787 1.081 350 HA ARG 50 HA ARG 50 -13.449 0.185 0.008 351 HB2 ARG 50 HB2 ARG 50 -11.160 1.918 -0.947 352 HB3 ARG 50 HB3 ARG 50 -11.874 0.579 -1.809 353 HG2 ARG 50 HG2 ARG 50 -13.284 3.214 -1.173 354 HG3 ARG 50 HG3 ARG 50 -12.546 2.783 -2.706 355 HD2 ARG 50 HD2 ARG 50 -14.939 1.438 -1.520 356 HD3 ARG 50 HD3 ARG 50 -14.904 2.602 -2.841 357 HE ARG 50 HE ARG 50 -13.744 1.028 -4.250 358 HH11 ARG 50 HH11 ARG 50 -15.131 -0.487 -1.371 359 HH12 ARG 50 HH12 ARG 50 -14.989 -2.081 -2.053 360 HH21 ARG 50 HH21 ARG 50 -13.810 -1.006 -5.105 361 HH22 ARG 50 HH22 ARG 50 -14.228 -2.377 -4.086 362 H GLY 51 H GLY 51 -10.730 1.510 1.733 363 HA2 GLY 51 HA2 GLY 51 -9.485 0.537 3.317 364 HA3 GLY 51 HA3 GLY 51 -10.253 -0.975 3.130 365 H PHE 52 H PHE 52 -8.761 0.349 0.290 366 HA PHE 52 HA PHE 52 -6.253 -1.167 0.638 367 HB2 PHE 52 HB2 PHE 52 -6.418 -2.017 -1.682 368 HB3 PHE 52 HB3 PHE 52 -7.579 -2.714 -0.601 369 HD1 PHE 52 HD2 PHE 52 -7.182 -0.060 -3.254 370 HD2 PHE 52 HD1 PHE 52 -9.886 -2.731 -1.212 371 HE1 PHE 52 HE2 PHE 52 -8.965 0.506 -4.874 372 HE2 PHE 52 HE1 PHE 52 -11.657 -2.188 -2.858 373 HZ PHE 52 HZ PHE 52 -11.203 -0.556 -4.690 374 H GLY 53 H GLY 53 -4.747 -0.694 -1.175 375 HA2 GLY 53 HA2 GLY 53 -4.924 1.918 -2.489 376 HA3 GLY 53 HA3 GLY 53 -3.746 1.811 -1.167 377 H PHE 54 H PHE 54 -2.754 2.433 -3.510 378 HA PHE 54 HA PHE 54 -1.051 0.061 -3.991 379 HB2 PHE 54 HB2 PHE 54 -0.490 0.705 -6.223 380 HB3 PHE 54 HB3 PHE 54 -2.207 0.401 -6.087 381 HD1 PHE 54 HD1 PHE 54 0.363 3.115 -6.362 382 HD2 PHE 54 HD2 PHE 54 -3.808 2.075 -6.720 383 HE1 PHE 54 HE1 PHE 54 -0.090 5.291 -7.473 384 HE2 PHE 54 HE2 PHE 54 -4.252 4.247 -7.833 385 HZ PHE 54 HZ PHE 54 -2.396 5.862 -8.200 386 H VAL 55 H VAL 55 1.204 0.540 -4.298 387 HA VAL 55 HA VAL 55 2.123 3.240 -3.433 388 HB VAL 55 HB VAL 55 2.103 1.806 -1.447 389 HG11 VAL 55 HG11 VAL 55 3.984 -0.017 -2.988 390 HG12 VAL 55 HG12 VAL 55 3.675 -0.102 -1.247 391 HG13 VAL 55 HG13 VAL 55 2.363 -0.417 -2.388 392 HG21 VAL 55 HG21 VAL 55 4.963 2.300 -2.372 393 HG22 VAL 55 HG22 VAL 55 3.862 3.530 -1.706 394 HG23 VAL 55 HG23 VAL 55 4.375 2.163 -0.710 395 H SER 56 H SER 56 4.131 3.897 -4.307 396 HA SER 56 HA SER 56 5.444 2.058 -6.242 397 HB2 SER 56 HB2 SER 56 3.802 3.408 -7.505 398 HB3 SER 56 HB3 SER 56 4.620 4.884 -6.962 399 HG SER 56 HG SER 56 5.262 4.079 -9.069 400 H PHE 57 H PHE 57 7.576 2.347 -6.593 401 HA PHE 57 HA PHE 57 9.041 4.095 -4.638 402 HB2 PHE 57 HB2 PHE 57 9.690 1.281 -5.585 403 HB3 PHE 57 HB3 PHE 57 10.627 2.224 -4.440 404 HD1 PHE 57 HD1 PHE 57 7.501 0.311 -4.943 405 HD2 PHE 57 HD2 PHE 57 9.903 2.518 -2.122 406 HE1 PHE 57 HE1 PHE 57 6.190 -0.656 -3.069 407 HE2 PHE 57 HE2 PHE 57 8.584 1.554 -0.249 408 HZ PHE 57 HZ PHE 57 6.720 -0.031 -0.733 409 H SER 58 H SER 58 11.248 4.678 -5.137 410 HA SER 58 HA SER 58 11.799 5.301 -7.925 411 HB2 SER 58 HB2 SER 58 13.510 5.378 -5.414 412 HB3 SER 58 HB3 SER 58 14.095 5.878 -7.009 413 HG SER 58 HG SER 58 13.250 7.598 -5.679 414 H ASN 59 H ASN 59 12.473 2.492 -5.943 415 HA ASN 59 HA ASN 59 14.325 1.358 -7.991 416 HB2 ASN 59 HB2 ASN 59 14.733 1.417 -4.967 417 HB3 ASN 59 HB3 ASN 59 15.759 0.568 -6.117 418 HD21 ASN 59 HD21 ASN 59 17.234 1.775 -7.442 419 HD22 ASN 59 HD22 ASN 59 17.516 3.474 -7.125 420 H GLU 60 H GLU 60 14.528 -0.881 -8.019 421 HA GLU 60 HA GLU 60 12.017 -2.301 -7.625 422 HB2 GLU 60 HB2 GLU 60 13.645 -2.554 -9.566 423 HB3 GLU 60 HB3 GLU 60 14.736 -3.394 -8.468 424 HG2 GLU 60 HG2 GLU 60 12.985 -5.113 -8.041 425 HG3 GLU 60 HG3 GLU 60 11.881 -4.253 -9.124 426 H GLN 61 H GLN 61 15.313 -2.567 -6.186 427 HA GLN 61 HA GLN 61 14.656 -4.760 -4.539 428 HB2 GLN 61 HB2 GLN 61 16.975 -4.000 -5.110 429 HB3 GLN 61 HB3 GLN 61 16.783 -2.647 -4.009 430 HG2 GLN 61 HG2 GLN 61 18.080 -4.532 -3.039 431 HG3 GLN 61 HG3 GLN 61 16.641 -4.160 -2.100 432 HE21 GLN 61 HE21 GLN 61 14.787 -5.639 -2.245 433 HE22 GLN 61 HE22 GLN 61 15.103 -7.332 -2.663 434 H ALA 62 H ALA 62 14.167 -1.293 -3.968 435 HA ALA 62 HA ALA 62 13.445 -1.461 -1.195 436 HB1 ALA 62 HB1 ALA 62 14.024 0.656 -2.319 437 HB2 ALA 62 HB2 ALA 62 12.585 0.519 -3.356 438 HB3 ALA 62 HB3 ALA 62 12.403 0.739 -1.605 439 H MET 63 H MET 63 11.425 -1.614 -4.204 440 HA MET 63 HA MET 63 8.937 -2.083 -2.877 441 HB2 MET 63 HB2 MET 63 9.218 -1.479 -5.313 442 HB3 MET 63 HB3 MET 63 9.846 -3.100 -5.604 443 HG2 MET 63 HG2 MET 63 7.595 -3.928 -4.537 444 HG3 MET 63 HG3 MET 63 7.054 -2.275 -4.764 445 HE1 MET 63 HE1 MET 63 7.948 -5.392 -8.088 446 HE2 MET 63 HE2 MET 63 9.289 -4.707 -7.149 447 HE3 MET 63 HE3 MET 63 8.040 -5.690 -6.342 448 H GLN 64 H GLN 64 11.434 -4.394 -4.046 449 HA GLN 64 HA GLN 64 9.827 -6.715 -3.411 450 HB2 GLN 64 HB2 GLN 64 12.776 -6.358 -4.057 451 HB3 GLN 64 HB3 GLN 64 12.047 -7.930 -3.728 452 HG2 GLN 64 HG2 GLN 64 11.101 -6.064 -5.953 453 HG3 GLN 64 HG3 GLN 64 12.287 -7.339 -6.172 454 HE21 GLN 64 HE21 GLN 64 10.370 -7.732 -7.868 455 HE22 GLN 64 HE22 GLN 64 9.266 -8.964 -7.321 456 H ASP 65 H ASP 65 12.394 -4.990 -1.612 457 HA ASP 65 HA ASP 65 12.418 -6.905 0.574 458 HB2 ASP 65 HB2 ASP 65 14.311 -5.381 -0.097 459 HB3 ASP 65 HB3 ASP 65 13.371 -4.015 0.515 460 H ALA 66 H ALA 66 10.481 -3.992 -0.194 461 HA ALA 66 HA ALA 66 9.201 -3.823 2.368 462 HB1 ALA 66 HB1 ALA 66 8.295 -2.980 -0.424 463 HB2 ALA 66 HB2 ALA 66 7.571 -2.509 1.113 464 HB3 ALA 66 HB3 ALA 66 9.214 -1.991 0.727 465 H ILE 67 H ILE 67 8.011 -5.276 -0.714 466 HA ILE 67 HA ILE 67 5.820 -6.704 0.271 467 HB ILE 67 HB ILE 67 7.731 -7.432 -1.967 468 HG12 ILE 67 HG12 ILE 67 4.912 -6.253 -2.111 469 HG13 ILE 67 HG13 ILE 67 6.352 -5.250 -2.087 470 HG21 ILE 67 HG21 ILE 67 5.863 -8.902 -2.806 471 HG22 ILE 67 HG22 ILE 67 6.563 -9.488 -1.311 472 HG23 ILE 67 HG23 ILE 67 5.004 -8.635 -1.281 473 HD11 ILE 67 HD11 ILE 67 5.598 -7.246 -4.254 474 HD12 ILE 67 HD12 ILE 67 5.716 -5.489 -4.373 475 HD13 ILE 67 HD13 ILE 67 7.188 -6.449 -4.145 476 H GLU 68 H GLU 68 9.234 -7.896 0.181 477 HA GLU 68 HA GLU 68 8.741 -10.413 1.398 478 HB2 GLU 68 HB2 GLU 68 10.797 -9.673 0.189 479 HB3 GLU 68 HB3 GLU 68 11.239 -8.679 1.581 480 HG2 GLU 68 HG2 GLU 68 11.458 -10.711 2.960 481 HG3 GLU 68 HG3 GLU 68 10.874 -11.708 1.617 482 H GLY 69 H GLY 69 9.070 -7.218 2.950 483 HA2 GLY 69 HA2 GLY 69 9.007 -8.371 5.674 484 HA3 GLY 69 HA3 GLY 69 9.059 -6.667 5.224 485 H MET 70 H MET 70 6.663 -7.404 3.314 486 HA MET 70 HA MET 70 4.697 -6.380 5.235 487 HB2 MET 70 HB2 MET 70 4.977 -6.513 2.240 488 HB3 MET 70 HB3 MET 70 3.406 -6.122 2.923 489 HG2 MET 70 HG2 MET 70 5.913 -4.644 3.801 490 HG3 MET 70 HG3 MET 70 5.058 -4.195 2.333 491 HE1 MET 70 HE1 MET 70 5.622 -2.679 5.472 492 HE2 MET 70 HE2 MET 70 5.207 -1.784 3.989 493 HE3 MET 70 HE3 MET 70 4.203 -1.609 5.440 494 H ASN 71 H ASN 71 4.962 -9.373 3.304 495 HA ASN 71 HA ASN 71 2.195 -9.965 3.238 496 HB2 ASN 71 HB2 ASN 71 3.994 -11.012 1.843 497 HB3 ASN 71 HB3 ASN 71 4.475 -11.987 3.233 498 HD21 ASN 71 HD21 ASN 71 3.624 -13.212 0.802 499 HD22 ASN 71 HD22 ASN 71 2.039 -13.920 1.090 500 H GLY 72 H GLY 72 1.019 -9.727 4.981 501 HA2 GLY 72 HA2 GLY 72 -0.182 -10.725 6.732 502 HA3 GLY 72 HA3 GLY 72 1.189 -11.745 7.146 503 H LYS 73 H LYS 73 2.236 -8.441 6.868 504 HA LYS 73 HA LYS 73 2.863 -8.334 9.657 505 HB2 LYS 73 HB2 LYS 73 3.861 -6.923 7.619 506 HB3 LYS 73 HB3 LYS 73 2.634 -5.723 8.126 507 HG2 LYS 73 HG2 LYS 73 3.527 -5.694 10.390 508 HG3 LYS 73 HG3 LYS 73 4.742 -6.912 9.962 509 HD2 LYS 73 HD2 LYS 73 5.786 -5.384 8.367 510 HD3 LYS 73 HD3 LYS 73 4.515 -4.167 8.634 511 HE2 LYS 73 HE2 LYS 73 5.182 -3.879 10.961 512 HE3 LYS 73 HE3 LYS 73 6.311 -5.235 10.849 513 HZ1 LYS 73 HZ1 LYS 73 7.515 -3.193 10.671 514 HZ2 LYS 73 HZ2 LYS 73 6.633 -2.647 9.387 515 HZ3 LYS 73 HZ3 LYS 73 7.610 -3.950 9.242 516 H GLU 74 H GLU 74 1.882 -7.457 11.426 517 HA GLU 74 HA GLU 74 -0.881 -6.413 11.161 518 HB2 GLU 74 HB2 GLU 74 0.870 -6.819 13.602 519 HB3 GLU 74 HB3 GLU 74 -0.780 -6.163 13.618 520 HG2 GLU 74 HG2 GLU 74 -1.575 -8.249 12.456 521 HG3 GLU 74 HG3 GLU 74 0.047 -8.923 12.619 522 H LEU 75 H LEU 75 -1.397 -4.409 10.826 523 HA LEU 75 HA LEU 75 0.307 -2.193 11.756 524 HB2 LEU 75 HB2 LEU 75 0.667 -3.026 9.199 525 HB3 LEU 75 HB3 LEU 75 -0.761 -2.038 8.941 526 HG LEU 75 HG LEU 75 0.512 -0.141 10.182 527 HD11 LEU 75 HD11 LEU 75 3.082 -0.502 9.938 528 HD12 LEU 75 HD12 LEU 75 2.664 -2.242 9.803 529 HD13 LEU 75 HD13 LEU 75 2.276 -1.332 11.272 530 HD21 LEU 75 HD21 LEU 75 0.232 -0.264 7.690 531 HD22 LEU 75 HD22 LEU 75 1.801 -1.100 7.602 532 HD23 LEU 75 HD23 LEU 75 1.705 0.561 8.222 533 H ASP 76 H ASP 76 -0.813 -0.408 12.283 534 HA ASP 76 HA ASP 76 -2.621 0.613 13.277 535 HB2 ASP 76 HB2 ASP 76 -2.674 1.302 10.848 536 HB3 ASP 76 HB3 ASP 76 -3.978 0.145 10.595 537 H GLY 77 H GLY 77 -2.520 -2.302 13.651 538 HA2 GLY 77 HA2 GLY 77 -3.677 -3.876 14.847 539 HA3 GLY 77 HA3 GLY 77 -5.083 -2.829 14.923 540 H ARG 78 H ARG 78 -3.962 -3.520 11.662 541 HA ARG 78 HA ARG 78 -5.821 -5.844 11.353 542 HB2 ARG 78 HB2 ARG 78 -5.303 -3.471 9.496 543 HB3 ARG 78 HB3 ARG 78 -6.246 -4.889 9.041 544 HG2 ARG 78 HG2 ARG 78 -6.956 -3.046 11.369 545 HG3 ARG 78 HG3 ARG 78 -7.594 -2.893 9.742 546 HD2 ARG 78 HD2 ARG 78 -8.566 -5.180 9.899 547 HD3 ARG 78 HD3 ARG 78 -7.857 -5.414 11.488 548 HE ARG 78 HE ARG 78 -10.295 -3.968 10.865 549 HH11 ARG 78 HH11 ARG 78 -7.811 -4.305 13.355 550 HH12 ARG 78 HH12 ARG 78 -8.884 -3.685 14.580 551 HH21 ARG 78 HH21 ARG 78 -11.574 -3.400 12.442 552 HH22 ARG 78 HH22 ARG 78 -10.983 -3.196 14.098 553 H SER 79 H SER 79 -5.321 -7.217 9.486 554 HA SER 79 HA SER 79 -2.377 -7.672 9.409 555 HB2 SER 79 HB2 SER 79 -4.732 -9.460 8.762 556 HB3 SER 79 HB3 SER 79 -3.031 -9.913 8.529 557 HG SER 79 HG SER 79 -2.750 -10.120 10.597 558 H ILE 80 H ILE 80 -1.209 -7.186 7.697 559 HA ILE 80 HA ILE 80 -2.406 -6.058 5.339 560 HB ILE 80 HB ILE 80 0.441 -6.554 6.232 561 HG12 ILE 80 HG12 ILE 80 -1.263 -4.093 5.665 562 HG13 ILE 80 HG13 ILE 80 -0.869 -4.722 7.265 563 HG21 ILE 80 HG21 ILE 80 1.288 -5.364 4.260 564 HG22 ILE 80 HG22 ILE 80 0.518 -6.851 3.784 565 HG23 ILE 80 HG23 ILE 80 -0.347 -5.304 3.561 566 HD11 ILE 80 HD11 ILE 80 1.012 -3.394 5.279 567 HD12 ILE 80 HD12 ILE 80 0.445 -2.780 6.821 568 HD13 ILE 80 HD13 ILE 80 1.548 -4.173 6.795 569 H VAL 81 H VAL 81 -2.421 -6.641 3.275 570 HA VAL 81 HA VAL 81 -1.256 -9.244 2.452 571 HB VAL 81 HB VAL 81 -4.025 -8.237 1.711 572 HG11 VAL 81 HG11 VAL 81 -4.165 -10.144 0.137 573 HG12 VAL 81 HG12 VAL 81 -2.973 -8.961 -0.395 574 HG13 VAL 81 HG13 VAL 81 -2.439 -10.475 0.377 575 HG21 VAL 81 HG21 VAL 81 -4.615 -10.585 2.422 576 HG22 VAL 81 HG22 VAL 81 -2.909 -10.826 2.878 577 HG23 VAL 81 HG23 VAL 81 -3.910 -9.627 3.730 578 H VAL 82 H VAL 82 -0.033 -9.124 0.670 579 HA VAL 82 HA VAL 82 0.106 -6.552 -0.836 580 HB VAL 82 HB VAL 82 2.588 -6.978 -1.044 581 HG11 VAL 82 HG11 VAL 82 2.993 -5.562 0.832 582 HG12 VAL 82 HG12 VAL 82 1.443 -5.120 0.135 583 HG13 VAL 82 HG13 VAL 82 1.478 -6.091 1.630 584 HG21 VAL 82 HG21 VAL 82 2.655 -9.230 0.068 585 HG22 VAL 82 HG22 VAL 82 3.714 -8.030 0.827 586 HG23 VAL 82 HG23 VAL 82 2.166 -8.449 1.585 587 H ASN 83 H ASN 83 0.318 -6.700 -3.049 588 HA ASN 83 HA ASN 83 1.782 -8.920 -4.173 589 HB2 ASN 83 HB2 ASN 83 0.059 -9.436 -5.973 590 HB3 ASN 83 HB3 ASN 83 -0.198 -10.133 -4.385 591 HD21 ASN 83 HD21 ASN 83 -2.066 -9.621 -3.220 592 HD22 ASN 83 HD22 ASN 83 -3.327 -8.609 -3.922 593 H GLU 84 H GLU 84 2.534 -8.643 -6.266 594 HA GLU 84 HA GLU 84 3.235 -5.977 -7.003 595 HB2 GLU 84 HB2 GLU 84 4.150 -7.012 -9.049 596 HB3 GLU 84 HB3 GLU 84 4.702 -7.766 -7.565 597 HG2 GLU 84 HG2 GLU 84 3.920 -9.789 -8.173 598 HG3 GLU 84 HG3 GLU 84 2.321 -9.176 -8.546 599 H ALA 85 H ALA 85 2.575 -4.558 -8.583 600 HA ALA 85 HA ALA 85 -0.174 -4.879 -9.515 601 HB1 ALA 85 HB1 ALA 85 0.021 -2.558 -10.149 602 HB2 ALA 85 HB2 ALA 85 0.663 -2.767 -8.519 603 HB3 ALA 85 HB3 ALA 85 1.778 -2.583 -9.900 604 H GLN 86 H GLN 86 2.809 -5.760 -10.922 605 HA GLN 86 HA GLN 86 2.469 -4.766 -13.580 606 HB2 GLN 86 HB2 GLN 86 4.118 -7.132 -12.592 607 HB3 GLN 86 HB3 GLN 86 4.281 -6.321 -14.153 608 HG2 GLN 86 HG2 GLN 86 4.790 -4.175 -12.921 609 HG3 GLN 86 HG3 GLN 86 4.790 -5.083 -11.403 610 HE21 GLN 86 HE21 GLN 86 6.373 -4.895 -14.615 611 HE22 GLN 86 HE22 GLN 86 7.903 -5.558 -14.052 612 H SER 87 H SER 87 1.611 -7.912 -12.165 613 HA SER 87 HA SER 87 0.301 -8.947 -14.538 614 HB2 SER 87 HB2 SER 87 -0.620 -10.631 -12.884 615 HB3 SER 87 HB3 SER 87 1.138 -10.551 -13.013 616 HG SER 87 HG SER 87 1.290 -9.473 -11.139 617 H ARG 88 H ARG 88 -0.731 -6.632 -12.194 618 HA ARG 88 HA ARG 88 -3.597 -7.227 -12.382 619 HB2 ARG 88 HB2 ARG 88 -2.229 -4.813 -11.138 620 HB3 ARG 88 HB3 ARG 88 -3.927 -5.259 -10.995 621 HG2 ARG 88 HG2 ARG 88 -3.268 -7.394 -9.877 622 HG3 ARG 88 HG3 ARG 88 -1.579 -6.890 -9.954 623 HD2 ARG 88 HD2 ARG 88 -2.339 -6.382 -7.757 624 HD3 ARG 88 HD3 ARG 88 -2.174 -4.847 -8.598 625 HE ARG 88 HE ARG 88 -4.616 -4.772 -8.897 626 HH11 ARG 88 HH11 ARG 88 -3.585 -7.055 -6.393 627 HH12 ARG 88 HH12 ARG 88 -5.203 -7.111 -5.732 628 HH21 ARG 88 HH21 ARG 88 -6.500 -4.919 -8.056 629 HH22 ARG 88 HH22 ARG 88 -6.838 -5.938 -6.651 630 H GLY 89 H GLY 89 -2.120 -6.654 -14.882 631 HA2 GLY 89 HA2 GLY 89 -4.115 -5.220 -16.269 632 HA3 GLY 89 HA3 GLY 89 -2.756 -4.130 -15.998 633 H TYR 90 H TYR 90 -3.621 -4.846 -18.516 634 HA TYR 90 HA TYR 90 -1.078 -5.707 -19.686 635 HB2 TYR 90 HB2 TYR 90 -2.221 -7.858 -19.528 636 HB3 TYR 90 HB3 TYR 90 -3.681 -7.188 -20.236 637 HD1 TYR 90 HD1 TYR 90 -0.054 -7.884 -20.975 638 HD2 TYR 90 HD2 TYR 90 -4.004 -7.224 -22.582 639 HE1 TYR 90 HE1 TYR 90 0.758 -8.501 -23.240 640 HE2 TYR 90 HE2 TYR 90 -3.197 -7.874 -24.840 641 HH TYR 90 HH TYR 90 0.241 -8.613 -25.468 642 H GLY 91 H GLY 91 -0.713 -4.685 -21.679 643 HA2 GLY 91 HA2 GLY 91 -1.181 -3.343 -23.540 644 HA3 GLY 91 HA3 GLY 91 -2.871 -3.235 -23.068 645 H GLY 92 H GLY 92 -3.357 -1.136 -22.751 646 HA2 GLY 92 HA2 GLY 92 -2.485 0.454 -20.642 647 HA3 GLY 92 HA3 GLY 92 -1.476 0.949 -22.013 Start of MODEL 8 1 H1 MET 1 H1 MET 1 8.472 -9.901 -7.879 2 H2 MET 1 H2 MET 1 7.207 -10.392 -8.811 3 H3 MET 1 H3 MET 1 8.108 -9.087 -9.271 4 HA MET 1 HA MET 1 9.245 -11.767 -8.954 5 HB2 MET 1 HB2 MET 1 8.349 -10.487 -11.563 6 HB3 MET 1 HB3 MET 1 9.186 -12.041 -11.368 7 HG2 MET 1 HG2 MET 1 6.369 -11.350 -10.572 8 HG3 MET 1 HG3 MET 1 6.906 -12.541 -11.739 9 HE1 MET 1 HE1 MET 1 7.970 -14.876 -11.144 10 HE2 MET 1 HE2 MET 1 9.258 -14.132 -10.170 11 HE3 MET 1 HE3 MET 1 8.279 -15.445 -9.490 12 H ALA 2 H ALA 2 10.542 -10.574 -11.693 13 HA ALA 2 HA ALA 2 12.448 -8.665 -10.418 14 HB1 ALA 2 HB1 ALA 2 14.005 -9.352 -12.227 15 HB2 ALA 2 HB2 ALA 2 13.597 -10.697 -11.149 16 HB3 ALA 2 HB3 ALA 2 12.847 -10.582 -12.759 17 H GLU 3 H GLU 3 11.529 -6.742 -10.803 18 HA GLU 3 HA GLU 3 9.742 -6.311 -13.063 19 HB2 GLU 3 HB2 GLU 3 10.592 -4.626 -10.689 20 HB3 GLU 3 HB3 GLU 3 9.606 -3.987 -12.004 21 HG2 GLU 3 HG2 GLU 3 8.207 -4.623 -10.155 22 HG3 GLU 3 HG3 GLU 3 7.833 -5.525 -11.615 23 H SER 4 H SER 4 11.230 -6.615 -14.822 24 HA SER 4 HA SER 4 13.220 -4.630 -15.466 25 HB2 SER 4 HB2 SER 4 11.823 -6.145 -17.630 26 HB3 SER 4 HB3 SER 4 13.523 -5.697 -17.471 27 HG SER 4 HG SER 4 12.113 -7.869 -16.569 28 H ASP 5 H ASP 5 12.898 -3.469 -17.804 29 HA ASP 5 HA ASP 5 11.573 -1.170 -17.054 30 HB2 ASP 5 HB2 ASP 5 12.316 -1.971 -19.888 31 HB3 ASP 5 HB3 ASP 5 12.075 -0.331 -19.308 32 H GLY 6 H GLY 6 9.911 -3.802 -18.607 33 HA2 GLY 6 HA2 GLY 6 7.681 -2.094 -19.608 34 HA3 GLY 6 HA3 GLY 6 7.880 -3.832 -19.823 35 H ALA 7 H ALA 7 8.499 -4.063 -16.832 36 HA ALA 7 HA ALA 7 5.740 -4.246 -15.794 37 HB1 ALA 7 HB1 ALA 7 6.833 -5.402 -13.931 38 HB2 ALA 7 HB2 ALA 7 7.386 -6.074 -15.470 39 HB3 ALA 7 HB3 ALA 7 8.435 -4.960 -14.567 40 H GLU 8 H GLU 8 5.891 -3.559 -13.182 41 HA GLU 8 HA GLU 8 7.139 -0.887 -12.942 42 HB2 GLU 8 HB2 GLU 8 5.061 0.074 -12.003 43 HB3 GLU 8 HB3 GLU 8 5.023 -0.272 -13.724 44 HG2 GLU 8 HG2 GLU 8 3.662 -2.372 -13.227 45 HG3 GLU 8 HG3 GLU 8 3.627 -1.867 -11.540 46 H TYR 9 H TYR 9 8.068 -0.492 -11.008 47 HA TYR 9 HA TYR 9 7.624 -2.488 -8.847 48 HB2 TYR 9 HB2 TYR 9 9.513 -1.005 -7.753 49 HB3 TYR 9 HB3 TYR 9 9.794 -2.390 -8.772 50 HD1 TYR 9 HD2 TYR 9 10.447 -2.092 -11.186 51 HD2 TYR 9 HD1 TYR 9 10.428 1.112 -8.317 52 HE1 TYR 9 HE2 TYR 9 12.046 -0.850 -12.586 53 HE2 TYR 9 HE1 TYR 9 12.025 2.398 -9.754 54 HH TYR 9 HH TYR 9 13.102 1.156 -12.924 55 H ARG 10 H ARG 10 5.563 -1.905 -8.750 56 HA ARG 10 HA ARG 10 4.834 0.099 -6.690 57 HB2 ARG 10 HB2 ARG 10 4.377 1.149 -8.851 58 HB3 ARG 10 HB3 ARG 10 3.573 -0.306 -9.437 59 HG2 ARG 10 HG2 ARG 10 1.708 0.050 -7.859 60 HG3 ARG 10 HG3 ARG 10 2.517 1.494 -7.205 61 HD2 ARG 10 HD2 ARG 10 2.419 2.613 -9.329 62 HD3 ARG 10 HD3 ARG 10 1.920 1.162 -10.162 63 HE ARG 10 HE ARG 10 0.199 2.799 -8.323 64 HH11 ARG 10 HH11 ARG 10 0.385 0.533 -11.072 65 HH12 ARG 10 HH12 ARG 10 -1.336 0.712 -11.343 66 HH21 ARG 10 HH21 ARG 10 -2.012 2.919 -8.897 67 HH22 ARG 10 HH22 ARG 10 -2.537 1.956 -10.261 68 H CYS 11 H CYS 11 3.214 -0.772 -5.314 69 HA CYS 11 HA CYS 11 2.183 -3.481 -5.995 70 HB2 CYS 11 HB2 CYS 11 3.267 -4.524 -4.397 71 HB3 CYS 11 HB3 CYS 11 4.270 -3.098 -4.206 72 HG CYS 11 HG CYS 11 1.451 -3.882 -2.587 73 H PHE 12 H PHE 12 0.330 -4.157 -4.953 74 HA PHE 12 HA PHE 12 -1.600 -2.033 -4.181 75 HB2 PHE 12 HB2 PHE 12 -2.218 -3.657 -5.952 76 HB3 PHE 12 HB3 PHE 12 -1.927 -4.979 -4.829 77 HD1 PHE 12 HD2 PHE 12 -4.138 -2.081 -5.584 78 HD2 PHE 12 HD1 PHE 12 -3.573 -5.620 -3.180 79 HE1 PHE 12 HE2 PHE 12 -6.523 -2.006 -4.903 80 HE2 PHE 12 HE1 PHE 12 -5.952 -5.525 -2.481 81 HZ PHE 12 HZ PHE 12 -7.435 -3.729 -3.357 82 H VAL 13 H VAL 13 -2.649 -2.137 -2.187 83 HA VAL 13 HA VAL 13 -1.281 -3.684 -0.016 84 HB VAL 13 HB VAL 13 -1.968 -0.707 0.092 85 HG11 VAL 13 HG11 VAL 13 -0.176 -2.479 1.793 86 HG12 VAL 13 HG12 VAL 13 -0.419 -0.730 2.008 87 HG13 VAL 13 HG13 VAL 13 -1.771 -1.867 2.277 88 HG21 VAL 13 HG21 VAL 13 0.419 -0.201 -0.044 89 HG22 VAL 13 HG22 VAL 13 0.771 -1.896 -0.461 90 HG23 VAL 13 HG23 VAL 13 -0.181 -0.872 -1.563 91 H GLY 14 H GLY 14 -2.960 -4.983 0.698 92 HA2 GLY 14 HA2 GLY 14 -5.636 -3.715 1.230 93 HA3 GLY 14 HA3 GLY 14 -5.288 -5.442 1.183 94 H SER 15 H SER 15 -5.882 -2.923 3.240 95 HA SER 15 HA SER 15 -5.361 -4.390 5.642 96 HB2 SER 15 HB2 SER 15 -3.631 -2.804 6.643 97 HB3 SER 15 HB3 SER 15 -3.026 -3.915 5.402 98 HG SER 15 HG SER 15 -2.265 -1.832 5.028 99 H LEU 16 H LEU 16 -5.852 -1.228 4.158 100 HA LEU 16 HA LEU 16 -6.095 0.262 6.495 101 HB2 LEU 16 HB2 LEU 16 -7.357 1.042 3.864 102 HB3 LEU 16 HB3 LEU 16 -6.761 2.151 5.078 103 HG LEU 16 HG LEU 16 -5.129 0.372 3.231 104 HD11 LEU 16 HD11 LEU 16 -6.276 2.464 2.420 105 HD12 LEU 16 HD12 LEU 16 -4.502 2.481 2.253 106 HD13 LEU 16 HD13 LEU 16 -5.285 3.393 3.559 107 HD21 LEU 16 HD21 LEU 16 -3.135 1.421 4.142 108 HD22 LEU 16 HD22 LEU 16 -3.971 0.570 5.448 109 HD23 LEU 16 HD23 LEU 16 -4.095 2.341 5.319 110 H SER 17 H SER 17 -7.858 1.752 6.963 111 HA SER 17 HA SER 17 -10.535 0.528 7.280 112 HB2 SER 17 HB2 SER 17 -8.953 -0.411 9.046 113 HB3 SER 17 HB3 SER 17 -8.763 1.245 9.647 114 HG SER 17 HG SER 17 -11.022 -0.461 9.646 115 H TRP 18 H TRP 18 -11.870 2.066 8.731 116 HA TRP 18 HA TRP 18 -12.319 4.541 7.606 117 HB2 TRP 18 HB2 TRP 18 -13.787 3.267 9.115 118 HB3 TRP 18 HB3 TRP 18 -12.733 3.608 10.473 119 HD1 TRP 18 HD1 TRP 18 -15.305 5.251 8.203 120 HE1 TRP 18 HE1 TRP 18 -16.341 7.279 9.399 121 HE3 TRP 18 HE3 TRP 18 -12.169 5.471 12.232 122 HZ2 TRP 18 HZ2 TRP 18 -15.872 8.779 11.821 123 HZ3 TRP 18 HZ3 TRP 18 -12.472 7.224 13.966 124 HH2 TRP 18 HH2 TRP 18 -14.324 8.872 13.777 125 H ASN 19 H ASN 19 -10.014 3.950 10.299 126 HA ASN 19 HA ASN 19 -9.340 6.823 10.374 127 HB2 ASN 19 HB2 ASN 19 -9.800 5.210 12.379 128 HB3 ASN 19 HB3 ASN 19 -8.139 4.679 12.131 129 HD21 ASN 19 HD21 ASN 19 -6.478 6.064 12.886 130 HD22 ASN 19 HD22 ASN 19 -6.839 7.679 13.536 131 H THR 20 H THR 20 -8.001 4.100 8.698 132 HA THR 20 HA THR 20 -5.232 5.161 8.737 133 HB THR 20 HB THR 20 -5.815 2.903 6.926 134 HG1 THR 20 HG1 THR 20 -5.743 2.174 9.620 135 HG21 THR 20 HG21 THR 20 -3.826 1.951 8.062 136 HG22 THR 20 HG22 THR 20 -3.793 3.362 9.148 137 HG23 THR 20 HG23 THR 20 -3.533 3.573 7.408 138 H ASP 21 H ASP 21 -4.096 5.933 6.868 139 HA ASP 21 HA ASP 21 -5.579 5.971 4.319 140 HB2 ASP 21 HB2 ASP 21 -4.469 8.464 5.743 141 HB3 ASP 21 HB3 ASP 21 -5.046 8.472 4.084 142 H ASP 22 H ASP 22 -4.010 7.541 2.718 143 HA ASP 22 HA ASP 22 -1.820 5.946 1.922 144 HB2 ASP 22 HB2 ASP 22 -1.031 8.073 0.706 145 HB3 ASP 22 HB3 ASP 22 -2.489 7.336 0.166 146 H ARG 23 H ARG 23 -1.649 9.042 3.765 147 HA ARG 23 HA ARG 23 1.178 9.000 4.130 148 HB2 ARG 23 HB2 ARG 23 -1.125 10.435 5.335 149 HB3 ARG 23 HB3 ARG 23 0.190 10.207 6.448 150 HG2 ARG 23 HG2 ARG 23 0.447 12.320 5.394 151 HG3 ARG 23 HG3 ARG 23 1.795 11.288 4.921 152 HD2 ARG 23 HD2 ARG 23 -0.652 11.263 3.236 153 HD3 ARG 23 HD3 ARG 23 0.314 12.753 3.172 154 HE ARG 23 HE ARG 23 2.199 10.766 2.776 155 HH11 ARG 23 HH11 ARG 23 -0.741 11.643 1.046 156 HH12 ARG 23 HH12 ARG 23 -0.137 10.970 -0.449 157 HH21 ARG 23 HH21 ARG 23 2.955 10.158 0.748 158 HH22 ARG 23 HH22 ARG 23 1.797 10.132 -0.587 159 H GLY 24 H GLY 24 -1.193 7.048 5.758 160 HA2 GLY 24 HA2 GLY 24 0.511 6.277 7.998 161 HA3 GLY 24 HA3 GLY 24 -1.052 5.577 7.538 162 H LEU 25 H LEU 25 -0.559 4.639 4.923 163 HA LEU 25 HA LEU 25 1.208 2.376 5.461 164 HB2 LEU 25 HB2 LEU 25 0.671 1.480 3.384 165 HB3 LEU 25 HB3 LEU 25 -0.797 2.146 4.019 166 HG LEU 25 HG LEU 25 -0.120 4.239 2.461 167 HD11 LEU 25 HD11 LEU 25 2.017 3.290 1.624 168 HD12 LEU 25 HD12 LEU 25 0.835 3.365 0.318 169 HD13 LEU 25 HD13 LEU 25 1.171 1.820 1.119 170 HD21 LEU 25 HD21 LEU 25 -1.505 3.245 0.679 171 HD22 LEU 25 HD22 LEU 25 -2.193 2.973 2.282 172 HD23 LEU 25 HD23 LEU 25 -1.347 1.648 1.444 173 H GLU 26 H GLU 26 1.569 5.428 3.642 174 HA GLU 26 HA GLU 26 4.081 5.029 2.480 175 HB2 GLU 26 HB2 GLU 26 2.728 7.026 2.107 176 HB3 GLU 26 HB3 GLU 26 2.901 7.492 3.804 177 HG2 GLU 26 HG2 GLU 26 5.373 7.771 3.444 178 HG3 GLU 26 HG3 GLU 26 5.132 7.373 1.737 179 H ALA 27 H ALA 27 3.468 6.101 5.912 180 HA ALA 27 HA ALA 27 6.239 6.468 6.431 181 HB1 ALA 27 HB1 ALA 27 4.397 7.469 7.768 182 HB2 ALA 27 HB2 ALA 27 3.938 5.858 8.361 183 HB3 ALA 27 HB3 ALA 27 5.511 6.555 8.806 184 H ALA 28 H ALA 28 4.249 3.555 6.844 185 HA ALA 28 HA ALA 28 6.368 2.027 8.140 186 HB1 ALA 28 HB1 ALA 28 4.800 0.131 7.828 187 HB2 ALA 28 HB2 ALA 28 3.997 1.538 8.539 188 HB3 ALA 28 HB3 ALA 28 3.760 1.167 6.817 189 H PHE 29 H PHE 29 5.172 2.265 4.725 190 HA PHE 29 HA PHE 29 7.141 0.347 3.752 191 HB2 PHE 29 HB2 PHE 29 5.277 2.346 2.446 192 HB3 PHE 29 HB3 PHE 29 6.531 1.556 1.518 193 HD1 PHE 29 HD2 PHE 29 3.570 0.716 3.715 194 HD2 PHE 29 HD1 PHE 29 6.211 -0.570 0.572 195 HE1 PHE 29 HE2 PHE 29 2.081 -1.196 3.250 196 HE2 PHE 29 HE1 PHE 29 4.731 -2.504 0.124 197 HZ PHE 29 HZ PHE 29 2.647 -2.808 1.445 198 H SER 30 H SER 30 7.242 3.862 4.308 199 HA SER 30 HA SER 30 9.644 4.396 2.895 200 HB2 SER 30 HB2 SER 30 8.045 6.072 3.680 201 HB3 SER 30 HB3 SER 30 8.469 5.728 5.367 202 HG SER 30 HG SER 30 9.419 7.580 4.222 203 H SER 31 H SER 31 9.191 2.684 5.927 204 HA SER 31 HA SER 31 11.882 2.932 6.959 205 HB2 SER 31 HB2 SER 31 9.812 0.735 7.349 206 HB3 SER 31 HB3 SER 31 11.277 0.975 8.310 207 HG SER 31 HG SER 31 9.317 1.870 9.209 208 H PHE 32 H PHE 32 10.662 1.231 4.219 209 HA PHE 32 HA PHE 32 12.937 -0.696 4.204 210 HB2 PHE 32 HB2 PHE 32 10.406 -0.568 2.539 211 HB3 PHE 32 HB3 PHE 32 11.704 -1.734 2.321 212 HD1 PHE 32 HD2 PHE 32 9.165 -0.523 4.812 213 HD2 PHE 32 HD1 PHE 32 11.861 -3.699 3.697 214 HE1 PHE 32 HE2 PHE 32 8.284 -1.918 6.657 215 HE2 PHE 32 HE1 PHE 32 10.907 -5.123 5.485 216 HZ PHE 32 HZ PHE 32 9.145 -4.227 6.994 217 H GLY 33 H GLY 33 11.554 1.989 2.220 218 HA2 GLY 33 HA2 GLY 33 14.179 2.665 1.181 219 HA3 GLY 33 HA3 GLY 33 13.217 1.795 -0.006 220 H GLU 34 H GLU 34 13.804 3.940 -1.031 221 HA GLU 34 HA GLU 34 12.396 6.367 -0.282 222 HB2 GLU 34 HB2 GLU 34 13.952 5.620 -2.777 223 HB3 GLU 34 HB3 GLU 34 13.353 7.240 -2.404 224 HG2 GLU 34 HG2 GLU 34 14.783 7.359 -0.427 225 HG3 GLU 34 HG3 GLU 34 15.313 5.691 -0.652 226 H ILE 35 H ILE 35 10.473 7.139 -0.907 227 HA ILE 35 HA ILE 35 8.765 5.452 -2.656 228 HB ILE 35 HB ILE 35 8.252 7.268 -0.296 229 HG12 ILE 35 HG12 ILE 35 8.886 4.942 0.203 230 HG13 ILE 35 HG13 ILE 35 7.255 5.321 0.729 231 HG21 ILE 35 HG21 ILE 35 6.091 6.216 -2.158 232 HG22 ILE 35 HG22 ILE 35 5.808 6.801 -0.510 233 HG23 ILE 35 HG23 ILE 35 6.443 7.904 -1.723 234 HD11 ILE 35 HD11 ILE 35 8.020 3.667 -1.718 235 HD12 ILE 35 HD12 ILE 35 7.269 3.104 -0.219 236 HD13 ILE 35 HD13 ILE 35 6.359 4.150 -1.329 237 H LEU 36 H LEU 36 7.508 6.159 -4.215 238 HA LEU 36 HA LEU 36 7.860 8.940 -5.266 239 HB2 LEU 36 HB2 LEU 36 6.881 6.394 -6.607 240 HB3 LEU 36 HB3 LEU 36 6.975 7.974 -7.372 241 HG LEU 36 HG LEU 36 9.332 6.319 -6.382 242 HD11 LEU 36 HD11 LEU 36 8.435 7.098 -9.188 243 HD12 LEU 36 HD12 LEU 36 8.199 5.507 -8.437 244 HD13 LEU 36 HD13 LEU 36 9.838 6.094 -8.762 245 HD21 LEU 36 HD21 LEU 36 9.951 8.655 -6.149 246 HD22 LEU 36 HD22 LEU 36 9.263 9.048 -7.742 247 HD23 LEU 36 HD23 LEU 36 10.712 8.035 -7.617 248 H ASP 37 H ASP 37 5.292 6.534 -4.454 249 HA ASP 37 HA ASP 37 3.249 8.672 -4.294 250 HB2 ASP 37 HB2 ASP 37 3.259 6.498 -6.441 251 HB3 ASP 37 HB3 ASP 37 1.790 7.286 -5.906 252 H ALA 38 H ALA 38 1.329 8.028 -3.175 253 HA ALA 38 HA ALA 38 0.820 5.175 -2.878 254 HB1 ALA 38 HB1 ALA 38 0.118 5.511 -0.500 255 HB2 ALA 38 HB2 ALA 38 1.862 5.740 -0.747 256 HB3 ALA 38 HB3 ALA 38 0.800 7.152 -0.556 257 H LYS 39 H LYS 39 -1.302 4.676 -2.956 258 HA LYS 39 HA LYS 39 -3.376 6.813 -3.389 259 HB2 LYS 39 HB2 LYS 39 -3.186 5.536 -5.406 260 HB3 LYS 39 HB3 LYS 39 -3.045 4.033 -4.528 261 HG2 LYS 39 HG2 LYS 39 -5.125 3.983 -5.583 262 HG3 LYS 39 HG3 LYS 39 -5.484 4.152 -3.886 263 HD2 LYS 39 HD2 LYS 39 -5.925 6.582 -4.234 264 HD3 LYS 39 HD3 LYS 39 -5.511 6.425 -5.940 265 HE2 LYS 39 HE2 LYS 39 -7.652 4.640 -4.732 266 HE3 LYS 39 HE3 LYS 39 -8.038 6.322 -5.121 267 HZ1 LYS 39 HZ1 LYS 39 -6.977 4.377 -7.105 268 HZ2 LYS 39 HZ2 LYS 39 -7.435 5.919 -7.397 269 HZ3 LYS 39 HZ3 LYS 39 -8.565 4.813 -6.946 270 H ILE 40 H ILE 40 -5.258 6.654 -2.238 271 HA ILE 40 HA ILE 40 -5.854 4.201 -0.737 272 HB ILE 40 HB ILE 40 -4.877 5.571 0.957 273 HG12 ILE 40 HG12 ILE 40 -7.133 4.268 1.266 274 HG13 ILE 40 HG13 ILE 40 -6.411 5.197 2.556 275 HG21 ILE 40 HG21 ILE 40 -6.779 7.820 0.180 276 HG22 ILE 40 HG22 ILE 40 -5.777 7.792 1.640 277 HG23 ILE 40 HG23 ILE 40 -5.019 7.816 0.044 278 HD11 ILE 40 HD11 ILE 40 -8.865 5.441 2.379 279 HD12 ILE 40 HD12 ILE 40 -7.996 6.982 2.331 280 HD13 ILE 40 HD13 ILE 40 -8.657 6.297 0.839 281 H ILE 41 H ILE 41 -8.073 3.713 -0.794 282 HA ILE 41 HA ILE 41 -9.810 5.746 -2.126 283 HB ILE 41 HB ILE 41 -9.550 4.141 -3.727 284 HG12 ILE 41 HG12 ILE 41 -11.796 3.216 -4.053 285 HG13 ILE 41 HG13 ILE 41 -12.226 3.631 -2.393 286 HG21 ILE 41 HG21 ILE 41 -9.709 2.110 -1.543 287 HG22 ILE 41 HG22 ILE 41 -10.332 1.661 -3.142 288 HG23 ILE 41 HG23 ILE 41 -8.640 2.237 -2.946 289 HD11 ILE 41 HD11 ILE 41 -11.383 5.640 -4.529 290 HD12 ILE 41 HD12 ILE 41 -13.056 5.272 -4.072 291 HD13 ILE 41 HD13 ILE 41 -11.973 6.033 -2.900 292 H ASN 42 H ASN 42 -10.909 6.739 -0.743 293 HA ASN 42 HA ASN 42 -12.978 5.314 0.751 294 HB2 ASN 42 HB2 ASN 42 -11.128 5.437 2.370 295 HB3 ASN 42 HB3 ASN 42 -10.999 7.180 2.132 296 HD21 ASN 42 HD21 ASN 42 -11.138 6.670 4.609 297 HD22 ASN 42 HD22 ASN 42 -12.750 6.924 5.256 298 H ASP 43 H ASP 43 -14.804 6.321 0.027 299 HA ASP 43 HA ASP 43 -14.752 9.292 -0.467 300 HB2 ASP 43 HB2 ASP 43 -16.874 7.298 -1.308 301 HB3 ASP 43 HB3 ASP 43 -16.961 9.044 -1.476 302 H ARG 44 H ARG 44 -14.575 9.857 1.642 303 HA ARG 44 HA ARG 44 -15.890 8.655 3.818 304 HB2 ARG 44 HB2 ARG 44 -13.824 9.817 3.994 305 HB3 ARG 44 HB3 ARG 44 -14.509 11.330 3.454 306 HG2 ARG 44 HG2 ARG 44 -15.296 9.949 6.068 307 HG3 ARG 44 HG3 ARG 44 -13.951 11.073 5.929 308 HD2 ARG 44 HD2 ARG 44 -16.896 11.688 5.652 309 HD3 ARG 44 HD3 ARG 44 -15.751 12.305 6.835 310 HE ARG 44 HE ARG 44 -14.629 13.224 4.539 311 HH11 ARG 44 HH11 ARG 44 -18.020 13.484 5.532 312 HH12 ARG 44 HH12 ARG 44 -18.153 15.026 4.729 313 HH21 ARG 44 HH21 ARG 44 -14.999 14.909 3.359 314 HH22 ARG 44 HH22 ARG 44 -16.557 15.731 3.333 315 H GLU 45 H GLU 45 -17.040 11.437 1.897 316 HA GLU 45 HA GLU 45 -19.272 12.034 3.640 317 HB2 GLU 45 HB2 GLU 45 -18.189 13.526 1.914 318 HB3 GLU 45 HB3 GLU 45 -18.999 12.566 0.665 319 HG2 GLU 45 HG2 GLU 45 -21.197 13.237 1.591 320 HG3 GLU 45 HG3 GLU 45 -20.394 14.078 2.924 321 H THR 46 H THR 46 -18.788 9.480 1.288 322 HA THR 46 HA THR 46 -21.644 8.665 1.385 323 HB THR 46 HB THR 46 -19.294 7.365 -0.035 324 HG1 THR 46 HG1 THR 46 -20.572 8.345 -1.854 325 HG21 THR 46 HG21 THR 46 -21.102 6.378 -1.460 326 HG22 THR 46 HG22 THR 46 -22.306 7.031 -0.320 327 HG23 THR 46 HG23 THR 46 -21.155 5.786 0.193 328 H GLY 47 H GLY 47 -18.838 8.288 3.297 329 HA2 GLY 47 HA2 GLY 47 -18.328 6.897 5.050 330 HA3 GLY 47 HA3 GLY 47 -19.913 6.118 4.912 331 H ARG 48 H ARG 48 -17.775 6.337 2.168 332 HA ARG 48 HA ARG 48 -17.910 3.395 1.827 333 HB2 ARG 48 HB2 ARG 48 -18.981 4.922 0.251 334 HB3 ARG 48 HB3 ARG 48 -17.446 5.728 -0.039 335 HG2 ARG 48 HG2 ARG 48 -16.580 3.655 -1.129 336 HG3 ARG 48 HG3 ARG 48 -18.142 2.875 -0.825 337 HD2 ARG 48 HD2 ARG 48 -19.276 4.618 -2.182 338 HD3 ARG 48 HD3 ARG 48 -17.729 5.422 -2.470 339 HE ARG 48 HE ARG 48 -18.713 2.900 -3.651 340 HH11 ARG 48 HH11 ARG 48 -16.054 5.287 -3.755 341 HH12 ARG 48 HH12 ARG 48 -15.128 4.186 -4.778 342 HH21 ARG 48 HH21 ARG 48 -17.409 1.726 -4.977 343 HH22 ARG 48 HH22 ARG 48 -15.871 2.424 -5.521 344 H SER 49 H SER 49 -16.198 3.224 3.454 345 HA SER 49 HA SER 49 -13.429 3.812 2.661 346 HB2 SER 49 HB2 SER 49 -12.801 2.881 4.797 347 HB3 SER 49 HB3 SER 49 -14.093 4.063 4.990 348 HG SER 49 HG SER 49 -15.472 1.952 4.860 349 H ARG 50 H ARG 50 -12.904 2.655 0.841 350 HA ARG 50 HA ARG 50 -13.554 -0.194 0.571 351 HB2 ARG 50 HB2 ARG 50 -11.802 1.722 -0.981 352 HB3 ARG 50 HB3 ARG 50 -11.931 0.033 -1.416 353 HG2 ARG 50 HG2 ARG 50 -14.332 1.926 -1.296 354 HG3 ARG 50 HG3 ARG 50 -13.354 1.622 -2.731 355 HD2 ARG 50 HD2 ARG 50 -15.063 0.166 -3.069 356 HD3 ARG 50 HD3 ARG 50 -13.810 -0.865 -2.391 357 HE ARG 50 HE ARG 50 -15.682 0.189 -0.365 358 HH11 ARG 50 HH11 ARG 50 -15.327 -2.494 -2.660 359 HH12 ARG 50 HH12 ARG 50 -16.365 -3.495 -1.632 360 HH21 ARG 50 HH21 ARG 50 -16.912 -1.192 0.751 361 HH22 ARG 50 HH22 ARG 50 -17.182 -2.837 0.124 362 H GLY 51 H GLY 51 -10.850 1.539 1.950 363 HA2 GLY 51 HA2 GLY 51 -9.386 0.692 3.509 364 HA3 GLY 51 HA3 GLY 51 -10.246 -0.832 3.465 365 H PHE 52 H PHE 52 -8.578 0.654 0.700 366 HA PHE 52 HA PHE 52 -6.177 -0.922 0.985 367 HB2 PHE 52 HB2 PHE 52 -6.341 -2.026 -1.236 368 HB3 PHE 52 HB3 PHE 52 -7.413 -2.668 -0.036 369 HD1 PHE 52 HD1 PHE 52 -7.288 -0.437 -3.053 370 HD2 PHE 52 HD2 PHE 52 -9.749 -2.844 -0.461 371 HE1 PHE 52 HE1 PHE 52 -9.135 -0.345 -4.708 372 HE2 PHE 52 HE2 PHE 52 -11.599 -2.736 -2.108 373 HZ PHE 52 HZ PHE 52 -11.293 -1.485 -4.240 374 H GLY 53 H GLY 53 -4.734 -0.558 -0.978 375 HA2 GLY 53 HA2 GLY 53 -5.042 1.994 -2.398 376 HA3 GLY 53 HA3 GLY 53 -3.889 1.992 -1.052 377 H PHE 54 H PHE 54 -2.730 2.642 -3.188 378 HA PHE 54 HA PHE 54 -1.092 0.282 -3.946 379 HB2 PHE 54 HB2 PHE 54 -1.607 2.741 -5.652 380 HB3 PHE 54 HB3 PHE 54 -0.287 1.635 -5.916 381 HD1 PHE 54 HD2 PHE 54 -0.611 -0.622 -6.788 382 HD2 PHE 54 HD1 PHE 54 -3.915 2.096 -6.276 383 HE1 PHE 54 HE2 PHE 54 -1.948 -1.926 -8.434 384 HE2 PHE 54 HE1 PHE 54 -5.248 0.785 -7.906 385 HZ PHE 54 HZ PHE 54 -4.244 -1.194 -9.026 386 H VAL 55 H VAL 55 1.185 0.724 -4.074 387 HA VAL 55 HA VAL 55 2.213 3.266 -2.952 388 HB VAL 55 HB VAL 55 1.875 1.578 -1.084 389 HG11 VAL 55 HG11 VAL 55 3.288 -0.285 -0.835 390 HG12 VAL 55 HG12 VAL 55 2.502 -0.442 -2.403 391 HG13 VAL 55 HG13 VAL 55 4.203 0.070 -2.317 392 HG21 VAL 55 HG21 VAL 55 4.777 2.364 -1.591 393 HG22 VAL 55 HG22 VAL 55 3.524 3.453 -0.950 394 HG23 VAL 55 HG23 VAL 55 4.010 2.020 -0.028 395 H SER 56 H SER 56 4.237 3.858 -3.843 396 HA SER 56 HA SER 56 5.398 2.016 -5.921 397 HB2 SER 56 HB2 SER 56 3.795 3.628 -6.893 398 HB3 SER 56 HB3 SER 56 4.752 4.946 -6.200 399 HG SER 56 HG SER 56 5.346 4.700 -8.288 400 H PHE 57 H PHE 57 7.531 2.060 -6.296 401 HA PHE 57 HA PHE 57 9.267 3.645 -4.432 402 HB2 PHE 57 HB2 PHE 57 9.445 0.788 -5.444 403 HB3 PHE 57 HB3 PHE 57 10.820 1.620 -4.753 404 HD1 PHE 57 HD1 PHE 57 10.953 2.210 -2.392 405 HD2 PHE 57 HD2 PHE 57 7.563 0.074 -3.981 406 HE1 PHE 57 HE1 PHE 57 10.301 1.538 -0.092 407 HE2 PHE 57 HE2 PHE 57 6.928 -0.618 -1.683 408 HZ PHE 57 HZ PHE 57 8.318 0.114 0.267 409 H SER 58 H SER 58 11.441 4.084 -5.147 410 HA SER 58 HA SER 58 11.675 4.648 -8.038 411 HB2 SER 58 HB2 SER 58 13.588 6.026 -7.372 412 HB3 SER 58 HB3 SER 58 12.105 6.459 -6.510 413 HG SER 58 HG SER 58 13.998 6.323 -5.203 414 H ASN 59 H ASN 59 12.670 2.041 -6.069 415 HA ASN 59 HA ASN 59 14.622 1.226 -8.157 416 HB2 ASN 59 HB2 ASN 59 15.134 1.118 -5.161 417 HB3 ASN 59 HB3 ASN 59 16.131 0.339 -6.372 418 HD21 ASN 59 HD21 ASN 59 17.629 1.621 -7.636 419 HD22 ASN 59 HD22 ASN 59 17.884 3.304 -7.210 420 H GLU 60 H GLU 60 14.977 -0.943 -8.396 421 HA GLU 60 HA GLU 60 12.620 -2.554 -8.352 422 HB2 GLU 60 HB2 GLU 60 15.527 -3.205 -9.004 423 HB3 GLU 60 HB3 GLU 60 14.184 -4.320 -9.272 424 HG2 GLU 60 HG2 GLU 60 13.140 -2.818 -10.852 425 HG3 GLU 60 HG3 GLU 60 14.311 -1.542 -10.512 426 H GLN 61 H GLN 61 15.627 -2.835 -6.392 427 HA GLN 61 HA GLN 61 14.649 -5.129 -4.905 428 HB2 GLN 61 HB2 GLN 61 17.071 -4.456 -5.401 429 HB3 GLN 61 HB3 GLN 61 16.912 -3.276 -4.094 430 HG2 GLN 61 HG2 GLN 61 16.277 -5.283 -2.586 431 HG3 GLN 61 HG3 GLN 61 16.667 -6.316 -3.950 432 HE21 GLN 61 HE21 GLN 61 18.262 -7.319 -2.493 433 HE22 GLN 61 HE22 GLN 61 19.813 -6.509 -2.265 434 H ALA 62 H ALA 62 14.185 -1.656 -4.483 435 HA ALA 62 HA ALA 62 13.697 -1.743 -1.614 436 HB1 ALA 62 HB1 ALA 62 12.814 0.509 -1.958 437 HB2 ALA 62 HB2 ALA 62 14.350 0.306 -2.821 438 HB3 ALA 62 HB3 ALA 62 12.815 0.282 -3.718 439 H MET 63 H MET 63 11.595 -1.709 -4.474 440 HA MET 63 HA MET 63 9.038 -2.175 -3.429 441 HB2 MET 63 HB2 MET 63 9.324 -1.735 -5.706 442 HB3 MET 63 HB3 MET 63 10.586 -2.939 -5.905 443 HG2 MET 63 HG2 MET 63 8.856 -3.792 -7.107 444 HG3 MET 63 HG3 MET 63 8.807 -4.736 -5.637 445 HE1 MET 63 HE1 MET 63 5.171 -4.598 -6.990 446 HE2 MET 63 HE2 MET 63 6.587 -4.379 -8.034 447 HE3 MET 63 HE3 MET 63 6.624 -5.580 -6.723 448 H GLN 64 H GLN 64 11.500 -4.701 -4.209 449 HA GLN 64 HA GLN 64 9.650 -6.758 -3.260 450 HB2 GLN 64 HB2 GLN 64 12.391 -6.858 -4.551 451 HB3 GLN 64 HB3 GLN 64 11.544 -8.301 -3.995 452 HG2 GLN 64 HG2 GLN 64 10.473 -6.327 -6.066 453 HG3 GLN 64 HG3 GLN 64 11.195 -7.884 -6.421 454 HE21 GLN 64 HE21 GLN 64 8.680 -7.414 -7.418 455 HE22 GLN 64 HE22 GLN 64 7.491 -8.347 -6.433 456 H ASP 65 H ASP 65 12.506 -5.183 -1.865 457 HA ASP 65 HA ASP 65 12.638 -7.071 0.350 458 HB2 ASP 65 HB2 ASP 65 14.509 -5.586 -0.467 459 HB3 ASP 65 HB3 ASP 65 13.653 -4.215 0.255 460 H ALA 66 H ALA 66 10.681 -4.169 -0.347 461 HA ALA 66 HA ALA 66 9.493 -4.035 2.278 462 HB1 ALA 66 HB1 ALA 66 8.572 -3.039 -0.453 463 HB2 ALA 66 HB2 ALA 66 7.884 -2.603 1.115 464 HB3 ALA 66 HB3 ALA 66 9.545 -2.139 0.725 465 H ILE 67 H ILE 67 8.107 -5.273 -0.830 466 HA ILE 67 HA ILE 67 5.858 -6.540 0.111 467 HB ILE 67 HB ILE 67 7.714 -7.276 -2.155 468 HG12 ILE 67 HG12 ILE 67 4.871 -6.146 -2.060 469 HG13 ILE 67 HG13 ILE 67 6.324 -5.163 -2.191 470 HG21 ILE 67 HG21 ILE 67 5.051 -8.648 -1.550 471 HG22 ILE 67 HG22 ILE 67 5.988 -8.825 -3.044 472 HG23 ILE 67 HG23 ILE 67 6.650 -9.422 -1.549 473 HD11 ILE 67 HD11 ILE 67 5.392 -5.374 -4.374 474 HD12 ILE 67 HD12 ILE 67 6.882 -6.337 -4.346 475 HD13 ILE 67 HD13 ILE 67 5.284 -7.129 -4.268 476 H GLU 68 H GLU 68 9.093 -8.195 0.038 477 HA GLU 68 HA GLU 68 8.015 -10.579 1.240 478 HB2 GLU 68 HB2 GLU 68 10.809 -9.516 0.774 479 HB3 GLU 68 HB3 GLU 68 10.541 -10.950 1.754 480 HG2 GLU 68 HG2 GLU 68 9.211 -11.972 -0.117 481 HG3 GLU 68 HG3 GLU 68 9.622 -10.580 -1.124 482 H GLY 69 H GLY 69 8.983 -7.577 2.774 483 HA2 GLY 69 HA2 GLY 69 8.887 -8.720 5.503 484 HA3 GLY 69 HA3 GLY 69 8.960 -7.015 5.042 485 H MET 70 H MET 70 6.754 -6.954 3.264 486 HA MET 70 HA MET 70 4.618 -6.425 5.110 487 HB2 MET 70 HB2 MET 70 4.846 -6.376 2.081 488 HB3 MET 70 HB3 MET 70 3.382 -5.855 2.910 489 HG2 MET 70 HG2 MET 70 6.175 -4.702 3.386 490 HG3 MET 70 HG3 MET 70 5.002 -4.010 2.301 491 HE1 MET 70 HE1 MET 70 5.769 -1.827 3.816 492 HE2 MET 70 HE2 MET 70 5.429 -1.671 5.556 493 HE3 MET 70 HE3 MET 70 6.648 -2.833 4.983 494 H ASN 71 H ASN 71 5.110 -9.098 2.811 495 HA ASN 71 HA ASN 71 2.499 -10.079 2.703 496 HB2 ASN 71 HB2 ASN 71 4.466 -10.784 1.314 497 HB3 ASN 71 HB3 ASN 71 5.084 -11.710 2.676 498 HD21 ASN 71 HD21 ASN 71 4.823 -13.187 0.560 499 HD22 ASN 71 HD22 ASN 71 3.268 -14.036 0.452 500 H GLY 72 H GLY 72 1.228 -10.239 4.459 501 HA2 GLY 72 HA2 GLY 72 0.281 -11.396 6.237 502 HA3 GLY 72 HA3 GLY 72 1.700 -12.430 6.347 503 H LYS 73 H LYS 73 2.222 -8.955 6.495 504 HA LYS 73 HA LYS 73 3.238 -9.141 9.244 505 HB2 LYS 73 HB2 LYS 73 4.009 -7.723 7.044 506 HB3 LYS 73 HB3 LYS 73 3.056 -6.486 7.860 507 HG2 LYS 73 HG2 LYS 73 4.474 -6.966 9.948 508 HG3 LYS 73 HG3 LYS 73 5.441 -8.039 8.934 509 HD2 LYS 73 HD2 LYS 73 5.758 -5.991 7.369 510 HD3 LYS 73 HD3 LYS 73 5.102 -5.023 8.692 511 HE2 LYS 73 HE2 LYS 73 7.603 -6.773 8.764 512 HE3 LYS 73 HE3 LYS 73 7.551 -5.003 8.702 513 HZ1 LYS 73 HZ1 LYS 73 7.922 -5.680 10.937 514 HZ2 LYS 73 HZ2 LYS 73 6.639 -6.695 10.952 515 HZ3 LYS 73 HZ3 LYS 73 6.384 -5.077 10.871 516 H GLU 74 H GLU 74 2.761 -6.789 10.414 517 HA GLU 74 HA GLU 74 -0.188 -6.402 10.698 518 HB2 GLU 74 HB2 GLU 74 0.696 -7.862 12.491 519 HB3 GLU 74 HB3 GLU 74 1.855 -6.606 12.937 520 HG2 GLU 74 HG2 GLU 74 -0.049 -5.080 13.491 521 HG3 GLU 74 HG3 GLU 74 -1.187 -6.357 13.041 522 H LEU 75 H LEU 75 -0.610 -4.397 10.037 523 HA LEU 75 HA LEU 75 1.230 -2.117 10.669 524 HB2 LEU 75 HB2 LEU 75 0.330 -3.104 8.021 525 HB3 LEU 75 HB3 LEU 75 -0.077 -1.426 8.306 526 HG LEU 75 HG LEU 75 2.303 -0.904 8.818 527 HD11 LEU 75 HD11 LEU 75 2.779 -3.770 7.880 528 HD12 LEU 75 HD12 LEU 75 3.219 -3.061 9.456 529 HD13 LEU 75 HD13 LEU 75 4.039 -2.522 8.002 530 HD21 LEU 75 HD21 LEU 75 3.040 -1.052 6.447 531 HD22 LEU 75 HD22 LEU 75 1.356 -0.519 6.586 532 HD23 LEU 75 HD23 LEU 75 1.740 -2.194 6.121 533 H ASP 76 H ASP 76 0.181 -0.236 11.312 534 HA ASP 76 HA ASP 76 -1.373 0.888 12.475 535 HB2 ASP 76 HB2 ASP 76 -2.096 1.391 10.185 536 HB3 ASP 76 HB3 ASP 76 -3.246 0.059 10.219 537 H GLY 77 H GLY 77 -0.990 -1.932 13.249 538 HA2 GLY 77 HA2 GLY 77 -1.814 -3.357 14.867 539 HA3 GLY 77 HA3 GLY 77 -3.147 -2.238 15.172 540 H ARG 78 H ARG 78 -2.822 -3.260 11.874 541 HA ARG 78 HA ARG 78 -5.127 -5.155 12.089 542 HB2 ARG 78 HB2 ARG 78 -4.551 -3.865 9.477 543 HB3 ARG 78 HB3 ARG 78 -6.087 -4.291 10.207 544 HG2 ARG 78 HG2 ARG 78 -4.467 -1.808 10.884 545 HG3 ARG 78 HG3 ARG 78 -5.706 -1.892 9.649 546 HD2 ARG 78 HD2 ARG 78 -7.414 -2.413 11.311 547 HD3 ARG 78 HD3 ARG 78 -6.194 -2.380 12.605 548 HE ARG 78 HE ARG 78 -5.808 0.054 11.431 549 HH11 ARG 78 HH11 ARG 78 -8.854 -1.313 12.514 550 HH12 ARG 78 HH12 ARG 78 -9.413 0.245 13.088 551 HH21 ARG 78 HH21 ARG 78 -6.537 1.866 12.017 552 HH22 ARG 78 HH22 ARG 78 -8.033 2.037 12.958 553 H SER 79 H SER 79 -5.137 -6.794 10.398 554 HA SER 79 HA SER 79 -2.531 -7.894 9.632 555 HB2 SER 79 HB2 SER 79 -3.831 -9.539 8.393 556 HB3 SER 79 HB3 SER 79 -4.420 -9.378 10.052 557 HG SER 79 HG SER 79 -6.136 -8.094 9.267 558 H ILE 80 H ILE 80 -1.628 -7.957 7.559 559 HA ILE 80 HA ILE 80 -2.823 -6.225 5.472 560 HB ILE 80 HB ILE 80 -1.200 -4.792 6.372 561 HG12 ILE 80 HG12 ILE 80 0.163 -6.057 3.958 562 HG13 ILE 80 HG13 ILE 80 -1.264 -5.014 3.858 563 HG21 ILE 80 HG21 ILE 80 1.214 -5.405 6.654 564 HG22 ILE 80 HG22 ILE 80 0.114 -6.235 7.727 565 HG23 ILE 80 HG23 ILE 80 0.778 -7.091 6.308 566 HD11 ILE 80 HD11 ILE 80 0.010 -3.145 4.815 567 HD12 ILE 80 HD12 ILE 80 1.467 -4.176 4.891 568 HD13 ILE 80 HD13 ILE 80 0.758 -3.785 3.335 569 H VAL 81 H VAL 81 -2.470 -6.716 3.389 570 HA VAL 81 HA VAL 81 -1.000 -9.180 2.630 571 HB VAL 81 HB VAL 81 -3.871 -8.515 1.880 572 HG11 VAL 81 HG11 VAL 81 -2.756 -9.120 -0.227 573 HG12 VAL 81 HG12 VAL 81 -2.048 -10.565 0.540 574 HG13 VAL 81 HG13 VAL 81 -3.802 -10.428 0.310 575 HG21 VAL 81 HG21 VAL 81 -3.535 -9.907 3.912 576 HG22 VAL 81 HG22 VAL 81 -4.285 -10.837 2.612 577 HG23 VAL 81 HG23 VAL 81 -2.554 -11.046 2.973 578 H VAL 82 H VAL 82 0.064 -8.976 0.720 579 HA VAL 82 HA VAL 82 -0.093 -6.361 -0.713 580 HB VAL 82 HB VAL 82 2.321 -6.537 -1.186 581 HG11 VAL 82 HG11 VAL 82 1.196 -4.968 0.403 582 HG12 VAL 82 HG12 VAL 82 1.515 -6.134 1.711 583 HG13 VAL 82 HG13 VAL 82 2.864 -5.355 0.814 584 HG21 VAL 82 HG21 VAL 82 2.728 -8.888 -0.449 585 HG22 VAL 82 HG22 VAL 82 3.754 -7.718 0.390 586 HG23 VAL 82 HG23 VAL 82 2.345 -8.406 1.216 587 H ASN 83 H ASN 83 0.207 -6.423 -2.981 588 HA ASN 83 HA ASN 83 1.550 -8.741 -4.088 589 HB2 ASN 83 HB2 ASN 83 0.103 -9.022 -6.071 590 HB3 ASN 83 HB3 ASN 83 -0.670 -9.561 -4.567 591 HD21 ASN 83 HD21 ASN 83 -0.743 -7.076 -7.132 592 HD22 ASN 83 HD22 ASN 83 -2.387 -6.573 -6.714 593 H GLU 84 H GLU 84 2.532 -8.336 -6.107 594 HA GLU 84 HA GLU 84 3.313 -5.648 -6.764 595 HB2 GLU 84 HB2 GLU 84 4.025 -6.792 -8.930 596 HB3 GLU 84 HB3 GLU 84 4.758 -7.373 -7.440 597 HG2 GLU 84 HG2 GLU 84 3.325 -9.328 -7.402 598 HG3 GLU 84 HG3 GLU 84 2.352 -8.749 -8.724 599 H ALA 85 H ALA 85 2.611 -4.212 -8.381 600 HA ALA 85 HA ALA 85 -0.240 -4.161 -8.670 601 HB1 ALA 85 HB1 ALA 85 0.209 -2.056 -9.911 602 HB2 ALA 85 HB2 ALA 85 1.078 -2.142 -8.370 603 HB3 ALA 85 HB3 ALA 85 1.943 -2.432 -9.901 604 H GLN 86 H GLN 86 2.304 -5.286 -10.879 605 HA GLN 86 HA GLN 86 0.872 -5.368 -13.272 606 HB2 GLN 86 HB2 GLN 86 3.291 -5.934 -12.911 607 HB3 GLN 86 HB3 GLN 86 2.793 -7.506 -12.271 608 HG2 GLN 86 HG2 GLN 86 1.659 -7.950 -14.510 609 HG3 GLN 86 HG3 GLN 86 2.286 -6.402 -15.074 610 HE21 GLN 86 HE21 GLN 86 4.042 -6.773 -16.471 611 HE22 GLN 86 HE22 GLN 86 5.167 -8.099 -16.249 612 H SER 87 H SER 87 0.435 -7.485 -10.408 613 HA SER 87 HA SER 87 -1.179 -9.510 -11.680 614 HB2 SER 87 HB2 SER 87 -1.101 -8.635 -8.781 615 HB3 SER 87 HB3 SER 87 -1.873 -10.099 -9.403 616 HG SER 87 HG SER 87 0.679 -9.963 -10.311 617 H ARG 88 H ARG 88 -1.889 -6.265 -10.897 618 HA ARG 88 HA ARG 88 -4.846 -6.649 -11.191 619 HB2 ARG 88 HB2 ARG 88 -3.777 -5.903 -8.899 620 HB3 ARG 88 HB3 ARG 88 -3.547 -4.352 -9.702 621 HG2 ARG 88 HG2 ARG 88 -6.069 -4.387 -10.188 622 HG3 ARG 88 HG3 ARG 88 -6.156 -5.835 -9.172 623 HD2 ARG 88 HD2 ARG 88 -5.179 -4.494 -7.276 624 HD3 ARG 88 HD3 ARG 88 -5.158 -3.082 -8.329 625 HE ARG 88 HE ARG 88 -7.511 -2.965 -8.324 626 HH11 ARG 88 HH11 ARG 88 -6.480 -5.735 -6.402 627 HH12 ARG 88 HH12 ARG 88 -8.134 -6.077 -5.924 628 HH21 ARG 88 HH21 ARG 88 -9.484 -3.271 -7.365 629 HH22 ARG 88 HH22 ARG 88 -9.710 -4.542 -6.178 630 H GLY 89 H GLY 89 -2.453 -5.974 -13.133 631 HA2 GLY 89 HA2 GLY 89 -2.388 -3.279 -13.771 632 HA3 GLY 89 HA3 GLY 89 -1.983 -4.570 -14.895 633 H TYR 90 H TYR 90 -3.559 -1.848 -14.893 634 HA TYR 90 HA TYR 90 -6.195 -2.388 -15.804 635 HB2 TYR 90 HB2 TYR 90 -5.317 -0.235 -14.908 636 HB3 TYR 90 HB3 TYR 90 -4.405 -0.006 -16.388 637 HD1 TYR 90 HD2 TYR 90 -5.571 0.511 -18.520 638 HD2 TYR 90 HD1 TYR 90 -7.727 0.115 -14.801 639 HE1 TYR 90 HE2 TYR 90 -7.463 1.784 -19.486 640 HE2 TYR 90 HE1 TYR 90 -9.623 1.414 -15.774 641 HH TYR 90 HH TYR 90 -9.355 2.924 -19.004 642 H GLY 91 H GLY 91 -7.119 -2.469 -17.854 643 HA2 GLY 91 HA2 GLY 91 -7.269 -2.909 -20.123 644 HA3 GLY 91 HA3 GLY 91 -5.537 -2.638 -20.309 645 H GLY 92 H GLY 92 -5.460 -4.778 -17.891 646 HA2 GLY 92 HA2 GLY 92 -5.201 -7.057 -17.634 647 HA3 GLY 92 HA3 GLY 92 -6.168 -7.307 -19.083 Start of MODEL 9 1 H1 MET 1 H1 MET 1 7.830 -10.403 -11.351 2 H2 MET 1 H2 MET 1 6.821 -10.753 -12.602 3 H3 MET 1 H3 MET 1 6.212 -10.607 -11.081 4 HA MET 1 HA MET 1 5.731 -8.731 -12.523 5 HB2 MET 1 HB2 MET 1 6.332 -6.925 -11.017 6 HB3 MET 1 HB3 MET 1 5.699 -8.306 -10.146 7 HG2 MET 1 HG2 MET 1 8.643 -7.628 -10.378 8 HG3 MET 1 HG3 MET 1 7.615 -7.099 -9.064 9 HE1 MET 1 HE1 MET 1 6.932 -10.261 -6.967 10 HE2 MET 1 HE2 MET 1 6.840 -8.492 -7.058 11 HE3 MET 1 HE3 MET 1 5.840 -9.497 -8.136 12 H ALA 2 H ALA 2 6.438 -6.936 -13.736 13 HA ALA 2 HA ALA 2 9.313 -6.954 -14.563 14 HB1 ALA 2 HB1 ALA 2 6.896 -7.132 -16.409 15 HB2 ALA 2 HB2 ALA 2 8.580 -6.895 -16.922 16 HB3 ALA 2 HB3 ALA 2 8.106 -8.401 -16.116 17 H GLU 3 H GLU 3 9.676 -5.062 -13.440 18 HA GLU 3 HA GLU 3 8.152 -2.637 -14.180 19 HB2 GLU 3 HB2 GLU 3 10.350 -2.833 -12.131 20 HB3 GLU 3 HB3 GLU 3 9.047 -1.652 -12.255 21 HG2 GLU 3 HG2 GLU 3 8.153 -2.873 -10.575 22 HG3 GLU 3 HG3 GLU 3 7.574 -3.929 -11.851 23 H SER 4 H SER 4 8.969 -2.609 -16.375 24 HA SER 4 HA SER 4 11.645 -2.448 -17.146 25 HB2 SER 4 HB2 SER 4 9.491 -0.900 -18.566 26 HB3 SER 4 HB3 SER 4 10.820 -1.845 -19.259 27 HG SER 4 HG SER 4 9.702 -3.754 -18.580 28 H ASP 5 H ASP 5 12.738 -0.518 -18.278 29 HA ASP 5 HA ASP 5 13.218 1.593 -16.427 30 HB2 ASP 5 HB2 ASP 5 14.806 0.700 -18.125 31 HB3 ASP 5 HB3 ASP 5 13.856 1.488 -19.391 32 H GLY 6 H GLY 6 10.992 1.459 -19.197 33 HA2 GLY 6 HA2 GLY 6 10.133 4.244 -18.996 34 HA3 GLY 6 HA3 GLY 6 9.384 2.956 -19.937 35 H ALA 7 H ALA 7 9.458 1.581 -16.979 36 HA ALA 7 HA ALA 7 6.642 2.377 -16.406 37 HB1 ALA 7 HB1 ALA 7 8.063 -0.259 -15.906 38 HB2 ALA 7 HB2 ALA 7 6.328 0.078 -15.760 39 HB3 ALA 7 HB3 ALA 7 7.087 0.104 -17.351 40 H GLU 8 H GLU 8 6.332 1.113 -13.919 41 HA GLU 8 HA GLU 8 8.257 2.456 -12.103 42 HB2 GLU 8 HB2 GLU 8 6.456 3.508 -10.818 43 HB3 GLU 8 HB3 GLU 8 6.572 4.127 -12.458 44 HG2 GLU 8 HG2 GLU 8 4.595 2.760 -13.107 45 HG3 GLU 8 HG3 GLU 8 4.475 2.134 -11.464 46 H TYR 9 H TYR 9 8.358 1.852 -10.013 47 HA TYR 9 HA TYR 9 7.650 -0.938 -9.429 48 HB2 TYR 9 HB2 TYR 9 9.117 1.135 -7.753 49 HB3 TYR 9 HB3 TYR 9 9.048 -0.591 -7.454 50 HD1 TYR 9 HD2 TYR 9 10.154 -2.192 -9.162 51 HD2 TYR 9 HD1 TYR 9 10.762 2.080 -9.195 52 HE1 TYR 9 HE2 TYR 9 12.072 -2.467 -10.725 53 HE2 TYR 9 HE1 TYR 9 12.660 1.802 -10.772 54 HH TYR 9 HH TYR 9 13.543 -1.397 -12.142 55 H ARG 10 H ARG 10 5.510 -1.202 -8.969 56 HA ARG 10 HA ARG 10 4.282 0.323 -6.725 57 HB2 ARG 10 HB2 ARG 10 3.742 1.445 -8.897 58 HB3 ARG 10 HB3 ARG 10 2.998 -0.054 -9.462 59 HG2 ARG 10 HG2 ARG 10 1.299 0.121 -7.627 60 HG3 ARG 10 HG3 ARG 10 2.098 1.587 -7.045 61 HD2 ARG 10 HD2 ARG 10 0.155 2.205 -8.346 62 HD3 ARG 10 HD3 ARG 10 1.619 2.707 -9.192 63 HE ARG 10 HE ARG 10 -0.190 0.413 -9.906 64 HH11 ARG 10 HH11 ARG 10 1.937 2.986 -11.103 65 HH12 ARG 10 HH12 ARG 10 1.728 2.391 -12.747 66 HH21 ARG 10 HH21 ARG 10 0.066 -0.420 -11.991 67 HH22 ARG 10 HH22 ARG 10 0.894 0.610 -13.185 68 H CYS 11 H CYS 11 2.958 -0.837 -5.404 69 HA CYS 11 HA CYS 11 1.819 -3.420 -6.334 70 HB2 CYS 11 HB2 CYS 11 2.589 -4.605 -4.347 71 HB3 CYS 11 HB3 CYS 11 3.951 -3.983 -5.279 72 HG CYS 11 HG CYS 11 2.527 -2.464 -2.690 73 H PHE 12 H PHE 12 0.094 -4.257 -5.111 74 HA PHE 12 HA PHE 12 -1.782 -2.283 -4.017 75 HB2 PHE 12 HB2 PHE 12 -2.529 -4.028 -5.574 76 HB3 PHE 12 HB3 PHE 12 -1.893 -5.282 -4.525 77 HD1 PHE 12 HD2 PHE 12 -4.548 -2.689 -4.867 78 HD2 PHE 12 HD1 PHE 12 -3.113 -6.050 -2.575 79 HE1 PHE 12 HE2 PHE 12 -6.728 -2.824 -3.692 80 HE2 PHE 12 HE1 PHE 12 -5.290 -6.160 -1.382 81 HZ PHE 12 HZ PHE 12 -7.100 -4.554 -1.944 82 H VAL 13 H VAL 13 -2.602 -2.266 -1.950 83 HA VAL 13 HA VAL 13 -1.456 -4.006 0.147 84 HB VAL 13 HB VAL 13 -1.179 -1.841 1.560 85 HG11 VAL 13 HG11 VAL 13 0.618 -3.393 0.999 86 HG12 VAL 13 HG12 VAL 13 0.880 -2.557 -0.549 87 HG13 VAL 13 HG13 VAL 13 1.164 -1.695 0.979 88 HG21 VAL 13 HG21 VAL 13 -1.952 -0.160 -0.081 89 HG22 VAL 13 HG22 VAL 13 -0.250 0.082 0.340 90 HG23 VAL 13 HG23 VAL 13 -0.666 -0.648 -1.208 91 H GLY 14 H GLY 14 -3.271 -4.910 0.938 92 HA2 GLY 14 HA2 GLY 14 -5.586 -3.137 1.683 93 HA3 GLY 14 HA3 GLY 14 -5.553 -4.896 1.753 94 H SER 15 H SER 15 -5.388 -2.145 3.608 95 HA SER 15 HA SER 15 -4.853 -3.539 6.088 96 HB2 SER 15 HB2 SER 15 -2.517 -2.760 4.791 97 HB3 SER 15 HB3 SER 15 -2.793 -1.400 5.869 98 HG SER 15 HG SER 15 -2.566 -2.735 7.602 99 H LEU 16 H LEU 16 -6.441 -1.089 4.550 100 HA LEU 16 HA LEU 16 -6.075 0.976 6.663 101 HB2 LEU 16 HB2 LEU 16 -7.547 1.368 4.075 102 HB3 LEU 16 HB3 LEU 16 -6.886 2.599 5.099 103 HG LEU 16 HG LEU 16 -5.402 0.739 3.214 104 HD11 LEU 16 HD11 LEU 16 -6.741 2.801 2.491 105 HD12 LEU 16 HD12 LEU 16 -5.035 2.735 1.963 106 HD13 LEU 16 HD13 LEU 16 -5.525 3.774 3.324 107 HD21 LEU 16 HD21 LEU 16 -3.967 1.096 5.226 108 HD22 LEU 16 HD22 LEU 16 -4.194 2.851 5.052 109 HD23 LEU 16 HD23 LEU 16 -3.356 1.933 3.791 110 H SER 17 H SER 17 -7.916 2.203 7.187 111 HA SER 17 HA SER 17 -10.611 0.939 7.062 112 HB2 SER 17 HB2 SER 17 -11.126 1.580 9.303 113 HB3 SER 17 HB3 SER 17 -9.597 0.692 9.369 114 HG SER 17 HG SER 17 -9.229 2.458 10.553 115 H TRP 18 H TRP 18 -12.267 2.878 7.731 116 HA TRP 18 HA TRP 18 -11.866 5.134 5.991 117 HB2 TRP 18 HB2 TRP 18 -13.765 6.123 7.346 118 HB3 TRP 18 HB3 TRP 18 -14.058 4.643 6.459 119 HD1 TRP 18 HD1 TRP 18 -15.134 2.721 7.699 120 HE1 TRP 18 HE1 TRP 18 -15.762 2.179 10.121 121 HE3 TRP 18 HE3 TRP 18 -12.776 6.635 10.048 122 HZ2 TRP 18 HZ2 TRP 18 -15.226 3.238 12.742 123 HZ3 TRP 18 HZ3 TRP 18 -12.821 6.806 12.521 124 HH2 TRP 18 HH2 TRP 18 -14.039 5.119 13.878 125 H ASN 19 H ASN 19 -10.359 4.547 9.069 126 HA ASN 19 HA ASN 19 -9.866 7.444 9.484 127 HB2 ASN 19 HB2 ASN 19 -10.531 5.946 11.392 128 HB3 ASN 19 HB3 ASN 19 -8.990 5.101 11.210 129 HD21 ASN 19 HD21 ASN 19 -7.069 6.155 11.934 130 HD22 ASN 19 HD22 ASN 19 -7.092 7.745 12.673 131 H THR 20 H THR 20 -8.012 4.509 8.542 132 HA THR 20 HA THR 20 -5.453 5.884 8.499 133 HB THR 20 HB THR 20 -5.860 3.638 6.609 134 HG1 THR 20 HG1 THR 20 -5.670 2.864 9.271 135 HG21 THR 20 HG21 THR 20 -3.770 4.230 8.728 136 HG22 THR 20 HG22 THR 20 -3.588 4.394 6.968 137 HG23 THR 20 HG23 THR 20 -3.772 2.791 7.682 138 H ASP 21 H ASP 21 -4.234 6.497 6.600 139 HA ASP 21 HA ASP 21 -5.586 6.278 4.059 140 HB2 ASP 21 HB2 ASP 21 -5.574 8.568 3.431 141 HB3 ASP 21 HB3 ASP 21 -6.294 8.553 5.028 142 H ASP 22 H ASP 22 -3.875 7.807 2.419 143 HA ASP 22 HA ASP 22 -1.898 5.851 2.015 144 HB2 ASP 22 HB2 ASP 22 -1.115 7.221 0.208 145 HB3 ASP 22 HB3 ASP 22 -2.862 7.261 0.229 146 H ARG 23 H ARG 23 -1.653 8.761 4.001 147 HA ARG 23 HA ARG 23 1.271 8.727 4.073 148 HB2 ARG 23 HB2 ARG 23 -0.782 10.138 5.818 149 HB3 ARG 23 HB3 ARG 23 0.975 10.303 5.994 150 HG2 ARG 23 HG2 ARG 23 1.108 11.002 3.566 151 HG3 ARG 23 HG3 ARG 23 -0.666 11.017 3.535 152 HD2 ARG 23 HD2 ARG 23 -0.613 12.658 5.442 153 HD3 ARG 23 HD3 ARG 23 1.155 12.703 5.295 154 HE ARG 23 HE ARG 23 0.037 13.233 2.729 155 HH11 ARG 23 HH11 ARG 23 0.138 14.824 5.892 156 HH12 ARG 23 HH12 ARG 23 -0.313 16.368 5.153 157 HH21 ARG 23 HH21 ARG 23 -0.289 15.375 1.951 158 HH22 ARG 23 HH22 ARG 23 -0.440 16.653 3.151 159 H GLY 24 H GLY 24 -1.161 6.885 5.758 160 HA2 GLY 24 HA2 GLY 24 0.627 5.922 7.863 161 HA3 GLY 24 HA3 GLY 24 -0.899 5.183 7.326 162 H LEU 25 H LEU 25 -0.244 4.867 4.572 163 HA LEU 25 HA LEU 25 1.588 2.614 4.485 164 HB2 LEU 25 HB2 LEU 25 0.486 4.276 2.189 165 HB3 LEU 25 HB3 LEU 25 1.299 2.723 2.037 166 HG LEU 25 HG LEU 25 -1.324 3.098 3.540 167 HD11 LEU 25 HD11 LEU 25 -1.702 3.647 1.222 168 HD12 LEU 25 HD12 LEU 25 -2.323 2.017 1.502 169 HD13 LEU 25 HD13 LEU 25 -0.768 2.254 0.671 170 HD21 LEU 25 HD21 LEU 25 0.210 0.637 2.586 171 HD22 LEU 25 HD22 LEU 25 -1.446 0.604 3.218 172 HD23 LEU 25 HD23 LEU 25 -0.117 1.106 4.269 173 H GLU 26 H GLU 26 1.964 6.032 3.370 174 HA GLU 26 HA GLU 26 4.574 5.844 2.372 175 HB2 GLU 26 HB2 GLU 26 2.990 7.832 2.266 176 HB3 GLU 26 HB3 GLU 26 3.488 8.239 3.915 177 HG2 GLU 26 HG2 GLU 26 5.843 8.451 3.133 178 HG3 GLU 26 HG3 GLU 26 5.331 8.026 1.498 179 H ALA 27 H ALA 27 3.590 6.282 5.795 180 HA ALA 27 HA ALA 27 6.301 6.286 6.814 181 HB1 ALA 27 HB1 ALA 27 5.151 5.983 8.993 182 HB2 ALA 27 HB2 ALA 27 4.385 7.264 8.029 183 HB3 ALA 27 HB3 ALA 27 3.619 5.666 8.151 184 H ALA 28 H ALA 28 3.797 3.675 6.645 185 HA ALA 28 HA ALA 28 5.245 1.680 7.954 186 HB1 ALA 28 HB1 ALA 28 2.872 1.512 7.493 187 HB2 ALA 28 HB2 ALA 28 3.158 1.521 5.738 188 HB3 ALA 28 HB3 ALA 28 3.682 0.141 6.707 189 H PHE 29 H PHE 29 5.519 2.595 4.538 190 HA PHE 29 HA PHE 29 7.406 0.367 3.999 191 HB2 PHE 29 HB2 PHE 29 5.882 2.318 2.258 192 HB3 PHE 29 HB3 PHE 29 7.192 1.336 1.630 193 HD1 PHE 29 HD2 PHE 29 3.902 1.010 3.449 194 HD2 PHE 29 HD1 PHE 29 6.817 -0.877 0.904 195 HE1 PHE 29 HE2 PHE 29 2.421 -0.963 3.205 196 HE2 PHE 29 HE1 PHE 29 5.308 -2.813 0.603 197 HZ PHE 29 HZ PHE 29 3.130 -2.886 1.794 198 H SER 30 H SER 30 7.689 3.713 4.909 199 HA SER 30 HA SER 30 10.095 4.342 3.480 200 HB2 SER 30 HB2 SER 30 8.857 5.420 6.030 201 HB3 SER 30 HB3 SER 30 10.442 5.969 5.461 202 HG SER 30 HG SER 30 7.931 6.177 4.167 203 H SER 31 H SER 31 9.676 2.189 6.187 204 HA SER 31 HA SER 31 12.299 2.212 7.312 205 HB2 SER 31 HB2 SER 31 11.667 -0.137 7.980 206 HB3 SER 31 HB3 SER 31 10.453 1.088 8.397 207 HG SER 31 HG SER 31 9.390 -0.626 7.401 208 H PHE 32 H PHE 32 11.028 0.662 4.358 209 HA PHE 32 HA PHE 32 13.498 -0.902 3.963 210 HB2 PHE 32 HB2 PHE 32 10.859 -0.723 2.493 211 HB3 PHE 32 HB3 PHE 32 12.238 -1.599 1.849 212 HD1 PHE 32 HD1 PHE 32 9.722 -1.556 4.574 213 HD2 PHE 32 HD2 PHE 32 13.036 -3.681 2.812 214 HE1 PHE 32 HE1 PHE 32 9.174 -3.557 5.943 215 HE2 PHE 32 HE2 PHE 32 12.467 -5.684 4.162 216 HZ PHE 32 HZ PHE 32 10.534 -5.626 5.724 217 H GLY 33 H GLY 33 12.154 2.138 2.625 218 HA2 GLY 33 HA2 GLY 33 14.703 2.722 1.373 219 HA3 GLY 33 HA3 GLY 33 13.544 2.167 0.193 220 H GLU 34 H GLU 34 14.253 4.254 -0.618 221 HA GLU 34 HA GLU 34 12.920 6.684 0.363 222 HB2 GLU 34 HB2 GLU 34 14.421 5.992 -2.201 223 HB3 GLU 34 HB3 GLU 34 13.627 7.532 -1.919 224 HG2 GLU 34 HG2 GLU 34 15.929 7.848 -1.409 225 HG3 GLU 34 HG3 GLU 34 15.033 7.904 0.104 226 H ILE 35 H ILE 35 10.896 7.318 -0.167 227 HA ILE 35 HA ILE 35 9.283 5.318 -1.684 228 HB ILE 35 HB ILE 35 9.069 5.433 0.833 229 HG12 ILE 35 HG12 ILE 35 6.573 5.330 0.869 230 HG13 ILE 35 HG13 ILE 35 6.544 5.836 -0.821 231 HG21 ILE 35 HG21 ILE 35 7.753 7.176 1.859 232 HG22 ILE 35 HG22 ILE 35 9.144 7.917 1.056 233 HG23 ILE 35 HG23 ILE 35 7.528 8.001 0.311 234 HD11 ILE 35 HD11 ILE 35 6.350 3.373 -0.520 235 HD12 ILE 35 HD12 ILE 35 7.793 3.780 -1.450 236 HD13 ILE 35 HD13 ILE 35 7.938 3.339 0.266 237 H LEU 36 H LEU 36 7.555 5.989 -3.024 238 HA LEU 36 HA LEU 36 8.011 8.735 -4.120 239 HB2 LEU 36 HB2 LEU 36 8.703 6.660 -5.360 240 HB3 LEU 36 HB3 LEU 36 7.005 6.256 -5.560 241 HG LEU 36 HG LEU 36 8.282 8.839 -6.569 242 HD11 LEU 36 HD11 LEU 36 9.305 6.844 -7.621 243 HD12 LEU 36 HD12 LEU 36 8.316 7.747 -8.772 244 HD13 LEU 36 HD13 LEU 36 7.690 6.243 -8.056 245 HD21 LEU 36 HD21 LEU 36 6.300 8.807 -8.136 246 HD22 LEU 36 HD22 LEU 36 5.858 9.079 -6.458 247 HD23 LEU 36 HD23 LEU 36 5.625 7.470 -7.183 248 H ASP 37 H ASP 37 5.319 6.344 -3.691 249 HA ASP 37 HA ASP 37 3.470 8.519 -3.027 250 HB2 ASP 37 HB2 ASP 37 3.680 7.584 -5.791 251 HB3 ASP 37 HB3 ASP 37 2.149 7.093 -5.166 252 H ALA 38 H ALA 38 1.270 7.805 -2.624 253 HA ALA 38 HA ALA 38 0.728 5.067 -3.073 254 HB1 ALA 38 HB1 ALA 38 -0.259 4.668 -0.697 255 HB2 ALA 38 HB2 ALA 38 1.506 4.662 -0.835 256 HB3 ALA 38 HB3 ALA 38 0.693 6.087 -0.192 257 H LYS 39 H LYS 39 -1.478 4.536 -3.127 258 HA LYS 39 HA LYS 39 -3.408 6.812 -3.497 259 HB2 LYS 39 HB2 LYS 39 -3.154 5.452 -5.484 260 HB3 LYS 39 HB3 LYS 39 -3.319 3.964 -4.570 261 HG2 LYS 39 HG2 LYS 39 -5.282 4.290 -5.876 262 HG3 LYS 39 HG3 LYS 39 -5.785 4.447 -4.196 263 HD2 LYS 39 HD2 LYS 39 -5.839 6.894 -4.436 264 HD3 LYS 39 HD3 LYS 39 -5.133 6.799 -6.058 265 HE2 LYS 39 HE2 LYS 39 -7.122 5.614 -6.882 266 HE3 LYS 39 HE3 LYS 39 -7.830 5.618 -5.258 267 HZ1 LYS 39 HZ1 LYS 39 -8.694 7.453 -6.635 268 HZ2 LYS 39 HZ2 LYS 39 -7.179 8.049 -6.840 269 HZ3 LYS 39 HZ3 LYS 39 -7.866 8.059 -5.358 270 H ILE 40 H ILE 40 -5.348 6.787 -2.436 271 HA ILE 40 HA ILE 40 -6.089 4.431 -0.789 272 HB ILE 40 HB ILE 40 -5.082 5.904 0.766 273 HG12 ILE 40 HG12 ILE 40 -7.394 4.764 1.211 274 HG13 ILE 40 HG13 ILE 40 -6.630 5.805 2.379 275 HG21 ILE 40 HG21 ILE 40 -5.845 8.231 1.199 276 HG22 ILE 40 HG22 ILE 40 -5.081 8.046 -0.373 277 HG23 ILE 40 HG23 ILE 40 -6.842 8.167 -0.262 278 HD11 ILE 40 HD11 ILE 40 -8.863 6.758 0.544 279 HD12 ILE 40 HD12 ILE 40 -9.057 6.190 2.209 280 HD13 ILE 40 HD13 ILE 40 -8.120 7.646 1.892 281 H ILE 41 H ILE 41 -8.215 3.882 -0.916 282 HA ILE 41 HA ILE 41 -10.126 5.894 -1.965 283 HB ILE 41 HB ILE 41 -9.530 4.524 -3.791 284 HG12 ILE 41 HG12 ILE 41 -11.751 3.644 -4.481 285 HG13 ILE 41 HG13 ILE 41 -12.364 3.992 -2.860 286 HG21 ILE 41 HG21 ILE 41 -9.484 2.327 -1.966 287 HG22 ILE 41 HG22 ILE 41 -10.686 1.970 -3.212 288 HG23 ILE 41 HG23 ILE 41 -8.989 2.422 -3.657 289 HD11 ILE 41 HD11 ILE 41 -11.962 6.379 -3.173 290 HD12 ILE 41 HD12 ILE 41 -11.165 6.068 -4.737 291 HD13 ILE 41 HD13 ILE 41 -12.896 5.744 -4.536 292 H ASN 42 H ASN 42 -11.611 6.416 -0.670 293 HA ASN 42 HA ASN 42 -13.283 4.517 0.775 294 HB2 ASN 42 HB2 ASN 42 -11.428 6.458 2.216 295 HB3 ASN 42 HB3 ASN 42 -12.944 5.970 2.934 296 HD21 ASN 42 HD21 ASN 42 -10.261 5.593 3.976 297 HD22 ASN 42 HD22 ASN 42 -10.199 3.885 4.311 298 H ASP 43 H ASP 43 -15.371 5.438 1.035 299 HA ASP 43 HA ASP 43 -15.285 8.269 1.832 300 HB2 ASP 43 HB2 ASP 43 -16.344 8.061 -0.555 301 HB3 ASP 43 HB3 ASP 43 -17.710 7.353 0.287 302 H ARG 44 H ARG 44 -15.798 8.229 3.962 303 HA ARG 44 HA ARG 44 -17.560 6.183 5.089 304 HB2 ARG 44 HB2 ARG 44 -15.642 7.383 6.281 305 HB3 ARG 44 HB3 ARG 44 -16.713 8.786 6.418 306 HG2 ARG 44 HG2 ARG 44 -18.376 7.354 7.620 307 HG3 ARG 44 HG3 ARG 44 -17.272 5.973 7.467 308 HD2 ARG 44 HD2 ARG 44 -15.594 7.151 8.837 309 HD3 ARG 44 HD3 ARG 44 -16.687 8.544 8.986 310 HE ARG 44 HE ARG 44 -18.066 6.196 9.825 311 HH11 ARG 44 HH11 ARG 44 -15.391 8.146 11.029 312 HH12 ARG 44 HH12 ARG 44 -15.756 7.713 12.695 313 HH21 ARG 44 HH21 ARG 44 -18.506 5.818 11.964 314 HH22 ARG 44 HH22 ARG 44 -17.397 6.360 13.183 315 H GLU 45 H GLU 45 -18.075 9.508 3.972 316 HA GLU 45 HA GLU 45 -20.677 9.883 5.008 317 HB2 GLU 45 HB2 GLU 45 -19.111 11.562 3.932 318 HB3 GLU 45 HB3 GLU 45 -19.660 10.983 2.363 319 HG2 GLU 45 HG2 GLU 45 -21.482 12.090 4.560 320 HG3 GLU 45 HG3 GLU 45 -20.756 13.093 3.316 321 H THR 46 H THR 46 -19.867 8.716 1.660 322 HA THR 46 HA THR 46 -22.603 7.639 1.402 323 HB THR 46 HB THR 46 -21.902 6.886 -0.848 324 HG1 THR 46 HG1 THR 46 -19.595 8.457 -0.338 325 HG21 THR 46 HG21 THR 46 -21.766 9.162 -1.813 326 HG22 THR 46 HG22 THR 46 -21.520 9.821 -0.179 327 HG23 THR 46 HG23 THR 46 -23.030 8.994 -0.583 328 H GLY 47 H GLY 47 -20.184 6.443 3.169 329 HA2 GLY 47 HA2 GLY 47 -19.951 4.420 4.188 330 HA3 GLY 47 HA3 GLY 47 -21.497 3.956 3.474 331 H ARG 48 H ARG 48 -18.588 4.737 1.601 332 HA ARG 48 HA ARG 48 -18.300 1.884 0.724 333 HB2 ARG 48 HB2 ARG 48 -17.376 2.815 -1.411 334 HB3 ARG 48 HB3 ARG 48 -19.113 2.990 -1.167 335 HG2 ARG 48 HG2 ARG 48 -18.987 5.294 -0.745 336 HG3 ARG 48 HG3 ARG 48 -17.248 5.255 -0.457 337 HD2 ARG 48 HD2 ARG 48 -17.784 6.303 -2.611 338 HD3 ARG 48 HD3 ARG 48 -16.748 4.886 -2.755 339 HE ARG 48 HE ARG 48 -18.345 3.865 -4.064 340 HH11 ARG 48 HH11 ARG 48 -20.050 6.462 -2.357 341 HH12 ARG 48 HH12 ARG 48 -21.494 6.225 -3.302 342 HH21 ARG 48 HH21 ARG 48 -20.249 3.622 -5.186 343 HH22 ARG 48 HH22 ARG 48 -21.557 4.742 -4.915 344 H SER 49 H SER 49 -16.981 1.704 2.678 345 HA SER 49 HA SER 49 -14.350 3.049 2.634 346 HB2 SER 49 HB2 SER 49 -14.047 1.795 4.808 347 HB3 SER 49 HB3 SER 49 -15.308 3.036 4.766 348 HG SER 49 HG SER 49 -16.748 1.611 5.166 349 H ARG 50 H ARG 50 -13.249 2.174 0.871 350 HA ARG 50 HA ARG 50 -13.308 -0.692 0.268 351 HB2 ARG 50 HB2 ARG 50 -11.252 1.248 -0.835 352 HB3 ARG 50 HB3 ARG 50 -11.896 -0.215 -1.551 353 HG2 ARG 50 HG2 ARG 50 -13.304 2.459 -1.231 354 HG3 ARG 50 HG3 ARG 50 -12.706 1.744 -2.717 355 HD2 ARG 50 HD2 ARG 50 -15.008 0.704 -1.104 356 HD3 ARG 50 HD3 ARG 50 -15.056 1.661 -2.598 357 HE ARG 50 HE ARG 50 -14.045 -0.168 -3.823 358 HH11 ARG 50 HH11 ARG 50 -15.826 -1.111 -0.895 359 HH12 ARG 50 HH12 ARG 50 -15.558 -2.807 -1.240 360 HH21 ARG 50 HH21 ARG 50 -14.205 -2.317 -4.328 361 HH22 ARG 50 HH22 ARG 50 -15.146 -3.361 -3.280 362 H GLY 51 H GLY 51 -11.102 1.458 1.988 363 HA2 GLY 51 HA2 GLY 51 -9.567 0.968 3.610 364 HA3 GLY 51 HA3 GLY 51 -10.245 -0.641 3.714 365 H PHE 52 H PHE 52 -8.784 0.476 0.720 366 HA PHE 52 HA PHE 52 -6.209 -0.857 1.252 367 HB2 PHE 52 HB2 PHE 52 -6.278 -2.010 -0.936 368 HB3 PHE 52 HB3 PHE 52 -7.376 -2.653 0.236 369 HD1 PHE 52 HD2 PHE 52 -7.351 -0.182 -2.652 370 HD2 PHE 52 HD1 PHE 52 -9.534 -3.202 -0.482 371 HE1 PHE 52 HE2 PHE 52 -9.141 -0.128 -4.361 372 HE2 PHE 52 HE1 PHE 52 -11.312 -3.152 -2.199 373 HZ PHE 52 HZ PHE 52 -11.120 -1.619 -4.145 374 H GLY 53 H GLY 53 -4.701 -0.514 -0.586 375 HA2 GLY 53 HA2 GLY 53 -5.088 1.935 -2.180 376 HA3 GLY 53 HA3 GLY 53 -3.834 1.969 -0.927 377 H PHE 54 H PHE 54 -2.860 2.459 -3.159 378 HA PHE 54 HA PHE 54 -1.238 0.048 -3.768 379 HB2 PHE 54 HB2 PHE 54 -1.689 2.405 -5.631 380 HB3 PHE 54 HB3 PHE 54 -0.541 1.101 -5.885 381 HD1 PHE 54 HD2 PHE 54 -1.394 -1.283 -6.164 382 HD2 PHE 54 HD1 PHE 54 -3.985 2.147 -6.312 383 HE1 PHE 54 HE2 PHE 54 -3.126 -2.639 -7.345 384 HE2 PHE 54 HE1 PHE 54 -5.709 0.797 -7.486 385 HZ PHE 54 HZ PHE 54 -5.276 -1.597 -7.997 386 H VAL 55 H VAL 55 1.053 0.470 -3.755 387 HA VAL 55 HA VAL 55 1.947 3.125 -2.763 388 HB VAL 55 HB VAL 55 1.654 1.759 -0.781 389 HG11 VAL 55 HG11 VAL 55 1.965 -0.507 -1.723 390 HG12 VAL 55 HG12 VAL 55 3.697 -0.167 -1.950 391 HG13 VAL 55 HG13 VAL 55 3.002 -0.223 -0.320 392 HG21 VAL 55 HG21 VAL 55 4.620 2.062 -1.354 393 HG22 VAL 55 HG22 VAL 55 3.539 3.394 -0.884 394 HG23 VAL 55 HG23 VAL 55 3.819 2.042 0.226 395 H SER 56 H SER 56 4.017 3.733 -3.388 396 HA SER 56 HA SER 56 5.315 2.022 -5.445 397 HB2 SER 56 HB2 SER 56 3.639 3.499 -6.499 398 HB3 SER 56 HB3 SER 56 4.452 4.913 -5.813 399 HG SER 56 HG SER 56 5.808 3.034 -7.469 400 H PHE 57 H PHE 57 7.412 2.317 -5.877 401 HA PHE 57 HA PHE 57 9.080 3.912 -3.964 402 HB2 PHE 57 HB2 PHE 57 9.406 1.148 -5.177 403 HB3 PHE 57 HB3 PHE 57 10.766 2.023 -4.522 404 HD1 PHE 57 HD1 PHE 57 11.015 2.490 -2.137 405 HD2 PHE 57 HD2 PHE 57 7.723 0.152 -3.649 406 HE1 PHE 57 HE1 PHE 57 10.637 1.564 0.132 407 HE2 PHE 57 HE2 PHE 57 7.369 -0.800 -1.388 408 HZ PHE 57 HZ PHE 57 8.859 -0.112 0.504 409 H SER 58 H SER 58 11.325 4.349 -4.814 410 HA SER 58 HA SER 58 11.290 5.067 -7.705 411 HB2 SER 58 HB2 SER 58 13.269 6.520 -7.052 412 HB3 SER 58 HB3 SER 58 11.655 7.008 -6.532 413 HG SER 58 HG SER 58 12.338 7.003 -4.600 414 H ASN 59 H ASN 59 12.659 2.679 -5.625 415 HA ASN 59 HA ASN 59 14.202 1.685 -7.966 416 HB2 ASN 59 HB2 ASN 59 15.214 2.102 -5.133 417 HB3 ASN 59 HB3 ASN 59 15.920 0.871 -6.164 418 HD21 ASN 59 HD21 ASN 59 16.753 1.510 -8.274 419 HD22 ASN 59 HD22 ASN 59 17.417 3.123 -8.489 420 H GLU 60 H GLU 60 14.773 -0.515 -7.910 421 HA GLU 60 HA GLU 60 12.532 -2.252 -7.280 422 HB2 GLU 60 HB2 GLU 60 14.124 -2.370 -9.309 423 HB3 GLU 60 HB3 GLU 60 15.323 -3.045 -8.209 424 HG2 GLU 60 HG2 GLU 60 13.617 -4.853 -7.620 425 HG3 GLU 60 HG3 GLU 60 12.595 -4.207 -8.910 426 H GLN 61 H GLN 61 15.822 -1.818 -6.002 427 HA GLN 61 HA GLN 61 16.044 -4.142 -4.450 428 HB2 GLN 61 HB2 GLN 61 17.241 -1.382 -3.956 429 HB3 GLN 61 HB3 GLN 61 17.788 -2.879 -3.195 430 HG2 GLN 61 HG2 GLN 61 18.450 -3.797 -5.383 431 HG3 GLN 61 HG3 GLN 61 17.887 -2.330 -6.194 432 HE21 GLN 61 HE21 GLN 61 20.620 -3.781 -4.639 433 HE22 GLN 61 HE22 GLN 61 21.559 -2.297 -4.488 434 H ALA 62 H ALA 62 14.523 -1.052 -3.545 435 HA ALA 62 HA ALA 62 13.950 -1.932 -0.804 436 HB1 ALA 62 HB1 ALA 62 13.061 0.511 -2.403 437 HB2 ALA 62 HB2 ALA 62 12.774 0.227 -0.672 438 HB3 ALA 62 HB3 ALA 62 14.436 0.421 -1.274 439 H MET 63 H MET 63 12.035 -1.312 -3.778 440 HA MET 63 HA MET 63 9.460 -1.996 -3.024 441 HB2 MET 63 HB2 MET 63 9.962 -1.124 -5.197 442 HB3 MET 63 HB3 MET 63 11.098 -2.408 -5.533 443 HG2 MET 63 HG2 MET 63 9.356 -2.871 -6.919 444 HG3 MET 63 HG3 MET 63 9.165 -4.036 -5.631 445 HE1 MET 63 HE1 MET 63 5.601 -3.447 -6.987 446 HE2 MET 63 HE2 MET 63 7.091 -3.267 -7.945 447 HE3 MET 63 HE3 MET 63 6.950 -4.575 -6.756 448 H GLN 64 H GLN 64 11.895 -4.355 -4.244 449 HA GLN 64 HA GLN 64 9.953 -6.508 -3.864 450 HB2 GLN 64 HB2 GLN 64 12.791 -6.527 -4.939 451 HB3 GLN 64 HB3 GLN 64 11.653 -7.885 -4.921 452 HG2 GLN 64 HG2 GLN 64 10.032 -6.482 -6.267 453 HG3 GLN 64 HG3 GLN 64 11.288 -5.248 -6.418 454 HE21 GLN 64 HE21 GLN 64 10.464 -5.995 -8.818 455 HE22 GLN 64 HE22 GLN 64 11.484 -7.243 -9.505 456 H ASP 65 H ASP 65 12.823 -5.438 -2.103 457 HA ASP 65 HA ASP 65 12.855 -7.770 -0.342 458 HB2 ASP 65 HB2 ASP 65 14.818 -6.266 -0.781 459 HB3 ASP 65 HB3 ASP 65 14.004 -4.995 0.143 460 H ALA 66 H ALA 66 11.160 -4.609 -0.349 461 HA ALA 66 HA ALA 66 9.974 -4.917 2.258 462 HB1 ALA 66 HB1 ALA 66 10.015 -2.764 1.054 463 HB2 ALA 66 HB2 ALA 66 8.939 -3.419 -0.192 464 HB3 ALA 66 HB3 ALA 66 8.362 -3.239 1.480 465 H ILE 67 H ILE 67 8.572 -5.621 -1.001 466 HA ILE 67 HA ILE 67 6.244 -6.902 -0.172 467 HB ILE 67 HB ILE 67 7.976 -7.339 -2.614 468 HG12 ILE 67 HG12 ILE 67 5.244 -5.997 -2.298 469 HG13 ILE 67 HG13 ILE 67 6.756 -5.115 -2.158 470 HG21 ILE 67 HG21 ILE 67 6.013 -8.498 -3.657 471 HG22 ILE 67 HG22 ILE 67 6.713 -9.419 -2.348 472 HG23 ILE 67 HG23 ILE 67 5.205 -8.515 -2.077 473 HD11 ILE 67 HD11 ILE 67 5.944 -4.787 -4.368 474 HD12 ILE 67 HD12 ILE 67 7.369 -5.832 -4.487 475 HD13 ILE 67 HD13 ILE 67 5.732 -6.519 -4.652 476 H GLU 68 H GLU 68 9.397 -8.637 -0.735 477 HA GLU 68 HA GLU 68 8.385 -11.162 0.183 478 HB2 GLU 68 HB2 GLU 68 11.174 -10.024 -0.119 479 HB3 GLU 68 HB3 GLU 68 10.911 -11.626 0.554 480 HG2 GLU 68 HG2 GLU 68 10.004 -10.707 -2.197 481 HG3 GLU 68 HG3 GLU 68 11.387 -11.753 -1.835 482 H GLY 69 H GLY 69 9.269 -8.406 2.081 483 HA2 GLY 69 HA2 GLY 69 9.379 -9.993 4.604 484 HA3 GLY 69 HA3 GLY 69 9.783 -8.292 4.394 485 H MET 70 H MET 70 7.075 -8.225 2.727 486 HA MET 70 HA MET 70 5.642 -7.023 4.940 487 HB2 MET 70 HB2 MET 70 5.469 -7.057 1.947 488 HB3 MET 70 HB3 MET 70 3.980 -6.632 2.771 489 HG2 MET 70 HG2 MET 70 6.682 -5.322 3.350 490 HG3 MET 70 HG3 MET 70 5.541 -4.702 2.167 491 HE1 MET 70 HE1 MET 70 6.903 -3.342 4.980 492 HE2 MET 70 HE2 MET 70 6.060 -2.420 3.719 493 HE3 MET 70 HE3 MET 70 5.544 -2.278 5.411 494 H ASN 71 H ASN 71 4.880 -9.837 2.835 495 HA ASN 71 HA ASN 71 2.136 -9.633 3.315 496 HB2 ASN 71 HB2 ASN 71 3.589 -11.019 1.556 497 HB3 ASN 71 HB3 ASN 71 3.298 -12.346 2.670 498 HD21 ASN 71 HD21 ASN 71 2.219 -13.090 0.519 499 HD22 ASN 71 HD22 ASN 71 0.549 -12.566 0.288 500 H GLY 72 H GLY 72 1.101 -9.637 5.159 501 HA2 GLY 72 HA2 GLY 72 0.040 -10.812 6.942 502 HA3 GLY 72 HA3 GLY 72 1.436 -11.864 7.112 503 H LYS 73 H LYS 73 2.858 -8.834 6.991 504 HA LYS 73 HA LYS 73 3.222 -8.635 9.867 505 HB2 LYS 73 HB2 LYS 73 3.808 -6.792 7.521 506 HB3 LYS 73 HB3 LYS 73 4.124 -6.245 9.154 507 HG2 LYS 73 HG2 LYS 73 5.325 -8.871 8.186 508 HG3 LYS 73 HG3 LYS 73 6.006 -7.330 7.682 509 HD2 LYS 73 HD2 LYS 73 7.261 -8.104 9.555 510 HD3 LYS 73 HD3 LYS 73 6.361 -6.663 10.033 511 HE2 LYS 73 HE2 LYS 73 4.688 -8.094 11.181 512 HE3 LYS 73 HE3 LYS 73 5.575 -9.540 10.665 513 HZ1 LYS 73 HZ1 LYS 73 7.462 -8.785 11.995 514 HZ2 LYS 73 HZ2 LYS 73 6.147 -8.919 12.914 515 HZ3 LYS 73 HZ3 LYS 73 6.622 -7.414 12.460 516 H GLU 74 H GLU 74 2.561 -6.914 11.317 517 HA GLU 74 HA GLU 74 -0.142 -5.963 10.718 518 HB2 GLU 74 HB2 GLU 74 -0.426 -5.362 12.912 519 HB3 GLU 74 HB3 GLU 74 0.232 -6.982 12.875 520 HG2 GLU 74 HG2 GLU 74 1.900 -4.509 13.565 521 HG3 GLU 74 HG3 GLU 74 0.972 -5.425 14.713 522 H LEU 75 H LEU 75 -0.475 -4.201 9.618 523 HA LEU 75 HA LEU 75 1.205 -1.776 10.094 524 HB2 LEU 75 HB2 LEU 75 0.189 -2.816 7.430 525 HB3 LEU 75 HB3 LEU 75 0.720 -1.172 7.706 526 HG LEU 75 HG LEU 75 2.485 -2.205 6.632 527 HD11 LEU 75 HD11 LEU 75 4.349 -1.940 8.033 528 HD12 LEU 75 HD12 LEU 75 3.477 -2.494 9.465 529 HD13 LEU 75 HD13 LEU 75 3.115 -0.896 8.776 530 HD21 LEU 75 HD21 LEU 75 2.662 -4.450 8.658 531 HD22 LEU 75 HD22 LEU 75 3.569 -4.251 7.150 532 HD23 LEU 75 HD23 LEU 75 1.831 -4.586 7.115 533 H ASP 76 H ASP 76 0.126 -0.095 10.678 534 HA ASP 76 HA ASP 76 -1.426 0.935 11.836 535 HB2 ASP 76 HB2 ASP 76 -1.998 1.653 9.487 536 HB3 ASP 76 HB3 ASP 76 -3.354 0.522 9.541 537 H GLY 77 H GLY 77 -1.166 -1.740 12.546 538 HA2 GLY 77 HA2 GLY 77 -2.103 -3.256 13.997 539 HA3 GLY 77 HA3 GLY 77 -3.507 -2.203 14.167 540 H ARG 78 H ARG 78 -3.041 -3.004 10.895 541 HA ARG 78 HA ARG 78 -4.992 -5.288 10.949 542 HB2 ARG 78 HB2 ARG 78 -4.285 -3.183 8.873 543 HB3 ARG 78 HB3 ARG 78 -5.254 -4.592 8.491 544 HG2 ARG 78 HG2 ARG 78 -5.988 -2.577 10.673 545 HG3 ARG 78 HG3 ARG 78 -6.507 -2.423 9.004 546 HD2 ARG 78 HD2 ARG 78 -7.195 -4.744 10.854 547 HD3 ARG 78 HD3 ARG 78 -8.278 -3.434 10.394 548 HE ARG 78 HE ARG 78 -7.553 -5.774 8.822 549 HH11 ARG 78 HH11 ARG 78 -8.711 -2.487 8.489 550 HH12 ARG 78 HH12 ARG 78 -9.052 -2.658 6.792 551 HH21 ARG 78 HH21 ARG 78 -8.150 -5.994 6.676 552 HH22 ARG 78 HH22 ARG 78 -8.803 -4.587 5.829 553 H SER 79 H SER 79 -4.577 -7.104 9.618 554 HA SER 79 HA SER 79 -1.696 -7.724 9.270 555 HB2 SER 79 HB2 SER 79 -4.210 -9.379 8.845 556 HB3 SER 79 HB3 SER 79 -2.563 -9.932 8.476 557 HG SER 79 HG SER 79 -3.770 -9.426 10.949 558 H ILE 80 H ILE 80 -0.708 -6.943 7.510 559 HA ILE 80 HA ILE 80 -2.239 -6.005 5.296 560 HB ILE 80 HB ILE 80 -0.110 -5.053 6.198 561 HG12 ILE 80 HG12 ILE 80 -0.041 -5.347 3.174 562 HG13 ILE 80 HG13 ILE 80 -1.277 -4.412 4.012 563 HG21 ILE 80 HG21 ILE 80 1.208 -7.120 4.355 564 HG22 ILE 80 HG22 ILE 80 2.038 -5.846 5.247 565 HG23 ILE 80 HG23 ILE 80 1.249 -7.154 6.128 566 HD11 ILE 80 HD11 ILE 80 1.719 -3.880 4.088 567 HD12 ILE 80 HD12 ILE 80 0.465 -2.905 3.305 568 HD13 ILE 80 HD13 ILE 80 0.509 -3.014 5.065 569 H VAL 81 H VAL 81 -2.100 -6.501 3.113 570 HA VAL 81 HA VAL 81 -1.088 -9.180 2.318 571 HB VAL 81 HB VAL 81 -3.754 -7.952 1.534 572 HG11 VAL 81 HG11 VAL 81 -2.301 -10.353 0.334 573 HG12 VAL 81 HG12 VAL 81 -4.004 -9.935 0.041 574 HG13 VAL 81 HG13 VAL 81 -2.736 -8.848 -0.512 575 HG21 VAL 81 HG21 VAL 81 -2.979 -10.627 2.792 576 HG22 VAL 81 HG22 VAL 81 -3.775 -9.276 3.630 577 HG23 VAL 81 HG23 VAL 81 -4.628 -10.132 2.348 578 H VAL 82 H VAL 82 0.263 -9.054 0.643 579 HA VAL 82 HA VAL 82 0.456 -6.481 -0.857 580 HB VAL 82 HB VAL 82 2.827 -6.965 -1.266 581 HG11 VAL 82 HG11 VAL 82 3.462 -5.809 0.744 582 HG12 VAL 82 HG12 VAL 82 1.891 -5.215 0.224 583 HG13 VAL 82 HG13 VAL 82 1.979 -6.352 1.590 584 HG21 VAL 82 HG21 VAL 82 4.069 -8.254 0.374 585 HG22 VAL 82 HG22 VAL 82 2.568 -8.730 1.193 586 HG23 VAL 82 HG23 VAL 82 2.925 -9.323 -0.445 587 H ASN 83 H ASN 83 0.398 -6.592 -3.094 588 HA ASN 83 HA ASN 83 1.753 -8.760 -4.396 589 HB2 ASN 83 HB2 ASN 83 0.061 -9.409 -6.027 590 HB3 ASN 83 HB3 ASN 83 -0.392 -9.895 -4.400 591 HD21 ASN 83 HD21 ASN 83 -2.434 -9.196 -3.601 592 HD22 ASN 83 HD22 ASN 83 -3.460 -8.124 -4.540 593 H GLU 84 H GLU 84 2.418 -8.269 -6.519 594 HA GLU 84 HA GLU 84 2.958 -5.581 -7.062 595 HB2 GLU 84 HB2 GLU 84 3.912 -6.338 -9.138 596 HB3 GLU 84 HB3 GLU 84 4.251 -7.483 -7.858 597 HG2 GLU 84 HG2 GLU 84 3.667 -8.941 -9.545 598 HG3 GLU 84 HG3 GLU 84 2.135 -8.783 -8.701 599 H ALA 85 H ALA 85 2.265 -4.009 -8.422 600 HA ALA 85 HA ALA 85 -0.390 -4.339 -9.747 601 HB1 ALA 85 HB1 ALA 85 -0.635 -3.348 -7.507 602 HB2 ALA 85 HB2 ALA 85 0.490 -2.043 -7.964 603 HB3 ALA 85 HB3 ALA 85 -1.066 -2.218 -8.796 604 H GLN 86 H GLN 86 2.796 -3.605 -10.372 605 HA GLN 86 HA GLN 86 2.614 -1.460 -12.269 606 HB2 GLN 86 HB2 GLN 86 4.723 -2.304 -11.500 607 HB3 GLN 86 HB3 GLN 86 4.386 -3.930 -12.080 608 HG2 GLN 86 HG2 GLN 86 6.013 -2.471 -13.433 609 HG3 GLN 86 HG3 GLN 86 4.781 -3.373 -14.314 610 HE21 GLN 86 HE21 GLN 86 4.885 -0.105 -12.693 611 HE22 GLN 86 HE22 GLN 86 3.852 0.588 -13.971 612 H SER 87 H SER 87 1.909 -5.012 -12.535 613 HA SER 87 HA SER 87 1.155 -5.080 -15.268 614 HB2 SER 87 HB2 SER 87 -0.030 -7.137 -14.658 615 HB3 SER 87 HB3 SER 87 1.556 -7.067 -13.871 616 HG SER 87 HG SER 87 0.526 -7.308 -12.088 617 H ARG 88 H ARG 88 -0.707 -3.796 -12.531 618 HA ARG 88 HA ARG 88 -3.266 -4.190 -13.853 619 HB2 ARG 88 HB2 ARG 88 -3.006 -4.398 -11.415 620 HB3 ARG 88 HB3 ARG 88 -2.553 -2.701 -11.294 621 HG2 ARG 88 HG2 ARG 88 -4.889 -3.157 -10.592 622 HG3 ARG 88 HG3 ARG 88 -4.775 -1.974 -11.880 623 HD2 ARG 88 HD2 ARG 88 -5.327 -3.847 -13.537 624 HD3 ARG 88 HD3 ARG 88 -5.569 -4.910 -12.150 625 HE ARG 88 HE ARG 88 -7.628 -3.907 -11.775 626 HH11 ARG 88 HH11 ARG 88 -5.897 -1.760 -13.969 627 HH12 ARG 88 HH12 ARG 88 -7.320 -0.785 -14.235 628 HH21 ARG 88 HH21 ARG 88 -9.329 -2.634 -12.146 629 HH22 ARG 88 HH22 ARG 88 -9.195 -1.233 -13.199 630 H GLY 89 H GLY 89 -0.953 -1.800 -14.245 631 HA2 GLY 89 HA2 GLY 89 -2.737 0.460 -14.786 632 HA3 GLY 89 HA3 GLY 89 -1.005 0.367 -15.072 633 H TYR 90 H TYR 90 -1.250 1.366 -17.062 634 HA TYR 90 HA TYR 90 -2.087 -0.442 -19.272 635 HB2 TYR 90 HB2 TYR 90 -3.226 1.183 -20.445 636 HB3 TYR 90 HB3 TYR 90 -3.797 1.391 -18.803 637 HD1 TYR 90 HD2 TYR 90 -2.641 3.310 -17.384 638 HD2 TYR 90 HD1 TYR 90 -2.437 3.004 -21.680 639 HE1 TYR 90 HE2 TYR 90 -2.036 5.711 -17.526 640 HE2 TYR 90 HE1 TYR 90 -1.852 5.418 -21.825 641 HH TYR 90 HH TYR 90 -1.313 7.398 -18.902 642 H GLY 91 H GLY 91 0.576 0.604 -17.952 643 HA2 GLY 91 HA2 GLY 91 2.427 0.214 -19.833 644 HA3 GLY 91 HA3 GLY 91 1.913 1.842 -20.299 645 H GLY 92 H GLY 92 1.466 2.137 -17.186 646 HA2 GLY 92 HA2 GLY 92 4.110 2.033 -15.969 647 HA3 GLY 92 HA3 GLY 92 3.510 3.687 -16.250 Start of MODEL 10 1 H1 MET 1 H1 MET 1 11.046 -4.902 -8.618 2 H2 MET 1 H2 MET 1 9.450 -5.219 -8.413 3 H3 MET 1 H3 MET 1 9.984 -4.411 -9.770 4 HA MET 1 HA MET 1 10.607 -7.197 -9.058 5 HB2 MET 1 HB2 MET 1 8.725 -6.122 -11.161 6 HB3 MET 1 HB3 MET 1 9.281 -7.800 -11.076 7 HG2 MET 1 HG2 MET 1 8.182 -8.115 -8.955 8 HG3 MET 1 HG3 MET 1 7.826 -6.393 -8.826 9 HE1 MET 1 HE1 MET 1 7.042 -9.695 -10.796 10 HE2 MET 1 HE2 MET 1 5.676 -9.207 -11.815 11 HE3 MET 1 HE3 MET 1 7.306 -8.598 -12.169 12 H ALA 2 H ALA 2 10.530 -6.418 -12.452 13 HA ALA 2 HA ALA 2 13.280 -5.345 -12.414 14 HB1 ALA 2 HB1 ALA 2 14.077 -6.914 -14.072 15 HB2 ALA 2 HB2 ALA 2 13.555 -7.795 -12.631 16 HB3 ALA 2 HB3 ALA 2 12.523 -7.776 -14.079 17 H GLU 3 H GLU 3 12.441 -3.394 -13.006 18 HA GLU 3 HA GLU 3 10.358 -3.151 -14.959 19 HB2 GLU 3 HB2 GLU 3 11.713 -1.272 -13.029 20 HB3 GLU 3 HB3 GLU 3 10.638 -0.662 -14.279 21 HG2 GLU 3 HG2 GLU 3 9.456 -0.983 -12.155 22 HG3 GLU 3 HG3 GLU 3 8.773 -1.902 -13.483 23 H SER 4 H SER 4 11.014 -3.525 -16.893 24 HA SER 4 HA SER 4 12.612 -1.595 -18.452 25 HB2 SER 4 HB2 SER 4 11.534 -2.470 -20.378 26 HB3 SER 4 HB3 SER 4 11.870 -3.862 -19.343 27 HG SER 4 HG SER 4 9.689 -3.596 -20.363 28 H ASP 5 H ASP 5 11.350 -0.057 -19.993 29 HA ASP 5 HA ASP 5 9.659 1.742 -18.533 30 HB2 ASP 5 HB2 ASP 5 11.000 2.388 -20.503 31 HB3 ASP 5 HB3 ASP 5 9.971 1.392 -21.542 32 H GLY 6 H GLY 6 8.808 -1.214 -20.170 33 HA2 GLY 6 HA2 GLY 6 5.973 -0.688 -20.542 34 HA3 GLY 6 HA3 GLY 6 6.792 -2.254 -20.587 35 H ALA 7 H ALA 7 7.828 -1.239 -17.695 36 HA ALA 7 HA ALA 7 5.446 -2.222 -16.184 37 HB1 ALA 7 HB1 ALA 7 8.364 -3.034 -15.961 38 HB2 ALA 7 HB2 ALA 7 7.121 -3.463 -14.768 39 HB3 ALA 7 HB3 ALA 7 6.983 -4.050 -16.429 40 H GLU 8 H GLU 8 5.639 -1.812 -13.815 41 HA GLU 8 HA GLU 8 6.973 0.728 -13.115 42 HB2 GLU 8 HB2 GLU 8 4.861 1.649 -12.213 43 HB3 GLU 8 HB3 GLU 8 4.940 1.517 -13.965 44 HG2 GLU 8 HG2 GLU 8 3.586 -0.684 -13.720 45 HG3 GLU 8 HG3 GLU 8 3.328 -0.209 -12.042 46 H TYR 9 H TYR 9 7.805 0.762 -11.090 47 HA TYR 9 HA TYR 9 7.216 -1.521 -9.348 48 HB2 TYR 9 HB2 TYR 9 8.925 -0.368 -7.807 49 HB3 TYR 9 HB3 TYR 9 9.372 -1.315 -9.186 50 HD1 TYR 9 HD2 TYR 9 8.728 2.366 -8.411 51 HD2 TYR 9 HD1 TYR 9 11.094 -0.598 -10.457 52 HE1 TYR 9 HE2 TYR 9 10.332 4.126 -9.126 53 HE2 TYR 9 HE1 TYR 9 12.712 1.163 -11.137 54 HH TYR 9 HH TYR 9 13.350 3.337 -10.847 55 H ARG 10 H ARG 10 5.095 -1.236 -8.929 56 HA ARG 10 HA ARG 10 4.781 0.085 -6.333 57 HB2 ARG 10 HB2 ARG 10 2.608 1.061 -6.769 58 HB3 ARG 10 HB3 ARG 10 3.814 1.779 -7.834 59 HG2 ARG 10 HG2 ARG 10 3.020 0.393 -9.714 60 HG3 ARG 10 HG3 ARG 10 1.887 -0.432 -8.651 61 HD2 ARG 10 HD2 ARG 10 0.675 1.629 -8.196 62 HD3 ARG 10 HD3 ARG 10 1.820 2.556 -9.181 63 HE ARG 10 HE ARG 10 1.086 1.053 -11.121 64 HH11 ARG 10 HH11 ARG 10 -1.250 2.351 -8.878 65 HH12 ARG 10 HH12 ARG 10 -2.578 1.656 -9.781 66 HH21 ARG 10 HH21 ARG 10 -0.521 0.487 -12.244 67 HH22 ARG 10 HH22 ARG 10 -2.195 0.742 -11.703 68 H CYS 11 H CYS 11 3.157 -0.852 -5.006 69 HA CYS 11 HA CYS 11 2.025 -3.419 -6.025 70 HB2 CYS 11 HB2 CYS 11 2.596 -4.603 -4.022 71 HB3 CYS 11 HB3 CYS 11 4.053 -3.900 -4.718 72 HG CYS 11 HG CYS 11 2.203 -2.559 -2.306 73 H PHE 12 H PHE 12 0.209 -4.197 -5.042 74 HA PHE 12 HA PHE 12 -1.727 -2.209 -4.060 75 HB2 PHE 12 HB2 PHE 12 -2.254 -3.811 -5.901 76 HB3 PHE 12 HB3 PHE 12 -1.946 -5.150 -4.813 77 HD1 PHE 12 HD1 PHE 12 -4.083 -2.035 -5.035 78 HD2 PHE 12 HD2 PHE 12 -3.795 -6.149 -3.779 79 HE1 PHE 12 HE1 PHE 12 -6.524 -2.073 -4.606 80 HE2 PHE 12 HE2 PHE 12 -6.234 -6.177 -3.330 81 HZ PHE 12 HZ PHE 12 -7.609 -4.153 -3.770 82 H VAL 13 H VAL 13 -2.676 -2.346 -2.097 83 HA VAL 13 HA VAL 13 -1.765 -4.281 -0.035 84 HB VAL 13 HB VAL 13 -1.683 -2.216 1.549 85 HG11 VAL 13 HG11 VAL 13 0.598 -2.730 -0.376 86 HG12 VAL 13 HG12 VAL 13 0.715 -1.874 1.176 87 HG13 VAL 13 HG13 VAL 13 0.242 -3.595 1.146 88 HG21 VAL 13 HG21 VAL 13 -0.966 -0.779 -1.045 89 HG22 VAL 13 HG22 VAL 13 -2.413 -0.479 -0.049 90 HG23 VAL 13 HG23 VAL 13 -0.797 -0.151 0.591 91 H GLY 14 H GLY 14 -3.334 -4.703 1.543 92 HA2 GLY 14 HA2 GLY 14 -5.515 -2.767 1.844 93 HA3 GLY 14 HA3 GLY 14 -6.052 -4.359 1.383 94 H SER 15 H SER 15 -6.510 -2.736 3.670 95 HA SER 15 HA SER 15 -6.583 -4.360 5.885 96 HB2 SER 15 HB2 SER 15 -3.921 -3.088 5.680 97 HB3 SER 15 HB3 SER 15 -4.731 -2.668 7.188 98 HG SER 15 HG SER 15 -3.664 -4.601 7.489 99 H LEU 16 H LEU 16 -6.857 -1.275 4.433 100 HA LEU 16 HA LEU 16 -6.786 0.305 6.812 101 HB2 LEU 16 HB2 LEU 16 -7.919 1.386 4.263 102 HB3 LEU 16 HB3 LEU 16 -6.976 2.183 5.422 103 HG LEU 16 HG LEU 16 -6.009 0.195 3.334 104 HD11 LEU 16 HD11 LEU 16 -6.724 2.498 2.649 105 HD12 LEU 16 HD12 LEU 16 -5.031 2.111 2.281 106 HD13 LEU 16 HD13 LEU 16 -5.430 3.147 3.676 107 HD21 LEU 16 HD21 LEU 16 -4.263 1.757 5.257 108 HD22 LEU 16 HD22 LEU 16 -3.757 0.667 3.952 109 HD23 LEU 16 HD23 LEU 16 -4.585 0.010 5.372 110 H SER 17 H SER 17 -8.339 1.976 7.200 111 HA SER 17 HA SER 17 -11.216 1.472 6.972 112 HB2 SER 17 HB2 SER 17 -11.670 1.453 9.301 113 HB3 SER 17 HB3 SER 17 -10.379 0.266 9.075 114 HG SER 17 HG SER 17 -9.664 1.437 10.722 115 H TRP 18 H TRP 18 -12.283 3.563 8.229 116 HA TRP 18 HA TRP 18 -11.365 5.902 7.000 117 HB2 TRP 18 HB2 TRP 18 -12.872 7.080 8.408 118 HB3 TRP 18 HB3 TRP 18 -13.605 5.528 8.083 119 HD1 TRP 18 HD1 TRP 18 -11.935 7.542 10.879 120 HE1 TRP 18 HE1 TRP 18 -12.521 6.555 13.177 121 HE3 TRP 18 HE3 TRP 18 -14.446 3.354 9.318 122 HZ2 TRP 18 HZ2 TRP 18 -14.122 4.372 14.188 123 HZ3 TRP 18 HZ3 TRP 18 -15.523 1.853 10.980 124 HH2 TRP 18 HH2 TRP 18 -15.379 2.358 13.409 125 H ASN 19 H ASN 19 -9.837 4.358 9.694 126 HA ASN 19 HA ASN 19 -8.582 6.801 10.760 127 HB2 ASN 19 HB2 ASN 19 -9.371 4.875 12.180 128 HB3 ASN 19 HB3 ASN 19 -8.131 3.856 11.436 129 HD21 ASN 19 HD21 ASN 19 -5.978 4.013 12.238 130 HD22 ASN 19 HD22 ASN 19 -5.556 5.207 13.458 131 H THR 20 H THR 20 -7.633 4.044 8.672 132 HA THR 20 HA THR 20 -4.848 5.053 8.505 133 HB THR 20 HB THR 20 -5.518 2.711 6.877 134 HG1 THR 20 HG1 THR 20 -5.666 2.397 9.686 135 HG21 THR 20 HG21 THR 20 -3.495 1.811 8.002 136 HG22 THR 20 HG22 THR 20 -3.412 3.307 8.967 137 HG23 THR 20 HG23 THR 20 -3.230 3.373 7.203 138 H ASP 21 H ASP 21 -3.885 5.832 6.629 139 HA ASP 21 HA ASP 21 -5.341 5.571 4.101 140 HB2 ASP 21 HB2 ASP 21 -5.535 7.887 3.615 141 HB3 ASP 21 HB3 ASP 21 -6.208 7.675 5.219 142 H ASP 22 H ASP 22 -3.873 7.335 2.489 143 HA ASP 22 HA ASP 22 -1.506 5.829 1.969 144 HB2 ASP 22 HB2 ASP 22 -0.945 7.626 0.362 145 HB3 ASP 22 HB3 ASP 22 -2.537 6.967 0.150 146 H ARG 23 H ARG 23 -1.999 8.502 4.149 147 HA ARG 23 HA ARG 23 0.715 9.356 4.563 148 HB2 ARG 23 HB2 ARG 23 -1.391 10.361 5.536 149 HB3 ARG 23 HB3 ARG 23 -1.475 9.033 6.665 150 HG2 ARG 23 HG2 ARG 23 0.811 11.033 6.478 151 HG3 ARG 23 HG3 ARG 23 -0.565 11.156 7.567 152 HD2 ARG 23 HD2 ARG 23 0.128 8.911 8.562 153 HD3 ARG 23 HD3 ARG 23 1.650 9.074 7.675 154 HE ARG 23 HE ARG 23 0.890 10.442 10.103 155 HH11 ARG 23 HH11 ARG 23 2.950 10.948 7.249 156 HH12 ARG 23 HH12 ARG 23 3.621 12.391 7.976 157 HH21 ARG 23 HH21 ARG 23 1.951 12.000 10.966 158 HH22 ARG 23 HH22 ARG 23 3.261 12.841 10.140 159 H GLY 24 H GLY 24 -1.114 6.780 6.289 160 HA2 GLY 24 HA2 GLY 24 1.105 5.747 7.753 161 HA3 GLY 24 HA3 GLY 24 -0.433 4.931 7.442 162 H LEU 25 H LEU 25 -0.367 4.653 4.634 163 HA LEU 25 HA LEU 25 1.402 2.427 4.260 164 HB2 LEU 25 HB2 LEU 25 0.018 4.169 2.179 165 HB3 LEU 25 HB3 LEU 25 0.826 2.638 1.833 166 HG LEU 25 HG LEU 25 -1.587 2.892 3.679 167 HD11 LEU 25 HD11 LEU 25 -1.311 2.076 0.757 168 HD12 LEU 25 HD12 LEU 25 -2.245 3.424 1.420 169 HD13 LEU 25 HD13 LEU 25 -2.750 1.762 1.752 170 HD21 LEU 25 HD21 LEU 25 -0.301 0.961 4.304 171 HD22 LEU 25 HD22 LEU 25 0.022 0.532 2.613 172 HD23 LEU 25 HD23 LEU 25 -1.611 0.364 3.283 173 H GLU 26 H GLU 26 1.818 5.832 3.121 174 HA GLU 26 HA GLU 26 4.359 5.447 1.871 175 HB2 GLU 26 HB2 GLU 26 3.036 7.473 1.590 176 HB3 GLU 26 HB3 GLU 26 3.112 7.814 3.321 177 HG2 GLU 26 HG2 GLU 26 5.595 8.138 3.123 178 HG3 GLU 26 HG3 GLU 26 5.450 7.882 1.378 179 H ALA 27 H ALA 27 3.554 6.287 5.283 180 HA ALA 27 HA ALA 27 6.285 6.600 6.070 181 HB1 ALA 27 HB1 ALA 27 4.307 7.654 7.163 182 HB2 ALA 27 HB2 ALA 27 3.819 6.059 7.782 183 HB3 ALA 27 HB3 ALA 27 5.348 6.805 8.304 184 H ALA 28 H ALA 28 4.035 3.794 6.495 185 HA ALA 28 HA ALA 28 5.906 2.183 7.903 186 HB1 ALA 28 HB1 ALA 28 3.467 1.837 7.914 187 HB2 ALA 28 HB2 ALA 28 3.508 1.387 6.197 188 HB3 ALA 28 HB3 ALA 28 4.303 0.360 7.415 189 H PHE 29 H PHE 29 5.522 2.658 4.392 190 HA PHE 29 HA PHE 29 7.447 0.486 3.804 191 HB2 PHE 29 HB2 PHE 29 5.762 2.334 2.099 192 HB3 PHE 29 HB3 PHE 29 7.060 1.369 1.429 193 HD1 PHE 29 HD1 PHE 29 4.008 0.827 3.628 194 HD2 PHE 29 HD2 PHE 29 6.583 -0.690 0.530 195 HE1 PHE 29 HE1 PHE 29 2.525 -1.132 3.357 196 HE2 PHE 29 HE2 PHE 29 5.087 -2.654 0.252 197 HZ PHE 29 HZ PHE 29 3.059 -2.878 1.671 198 H SER 30 H SER 30 7.576 3.985 4.196 199 HA SER 30 HA SER 30 9.843 4.644 2.699 200 HB2 SER 30 HB2 SER 30 8.983 5.649 5.447 201 HB3 SER 30 HB3 SER 30 10.293 6.368 4.504 202 HG SER 30 HG SER 30 7.584 6.120 3.652 203 H SER 31 H SER 31 9.777 2.783 5.711 204 HA SER 31 HA SER 31 12.444 3.016 6.573 205 HB2 SER 31 HB2 SER 31 10.711 0.513 6.616 206 HB3 SER 31 HB3 SER 31 12.099 0.862 7.666 207 HG SER 31 HG SER 31 9.931 1.297 8.523 208 H PHE 32 H PHE 32 11.134 1.050 3.917 209 HA PHE 32 HA PHE 32 13.595 -0.545 3.632 210 HB2 PHE 32 HB2 PHE 32 10.956 -0.557 2.111 211 HB3 PHE 32 HB3 PHE 32 12.255 -1.720 1.900 212 HD1 PHE 32 HD2 PHE 32 9.671 -0.481 4.305 213 HD2 PHE 32 HD1 PHE 32 12.540 -3.583 3.424 214 HE1 PHE 32 HE2 PHE 32 8.796 -1.827 6.192 215 HE2 PHE 32 HE1 PHE 32 11.614 -4.948 5.275 216 HZ PHE 32 HZ PHE 32 9.755 -4.073 6.671 217 H GLY 33 H GLY 33 12.071 2.207 2.046 218 HA2 GLY 33 HA2 GLY 33 14.431 3.094 0.778 219 HA3 GLY 33 HA3 GLY 33 13.470 2.233 -0.438 220 H GLU 34 H GLU 34 13.952 5.007 -0.721 221 HA GLU 34 HA GLU 34 11.896 6.541 0.586 222 HB2 GLU 34 HB2 GLU 34 13.461 7.297 -1.900 223 HB3 GLU 34 HB3 GLU 34 12.525 8.361 -0.841 224 HG2 GLU 34 HG2 GLU 34 14.058 7.582 1.071 225 HG3 GLU 34 HG3 GLU 34 15.118 6.939 -0.188 226 H ILE 35 H ILE 35 9.872 7.053 0.064 227 HA ILE 35 HA ILE 35 8.595 5.609 -2.173 228 HB ILE 35 HB ILE 35 7.560 6.899 0.369 229 HG12 ILE 35 HG12 ILE 35 8.493 4.693 0.716 230 HG13 ILE 35 HG13 ILE 35 6.743 4.613 0.861 231 HG21 ILE 35 HG21 ILE 35 5.830 7.448 -1.203 232 HG22 ILE 35 HG22 ILE 35 5.873 5.831 -1.930 233 HG23 ILE 35 HG23 ILE 35 5.272 6.055 -0.284 234 HD11 ILE 35 HD11 ILE 35 8.483 3.595 -1.411 235 HD12 ILE 35 HD12 ILE 35 7.374 2.689 -0.384 236 HD13 ILE 35 HD13 ILE 35 6.729 3.811 -1.609 237 H LEU 36 H LEU 36 7.668 6.419 -3.849 238 HA LEU 36 HA LEU 36 7.918 9.350 -4.348 239 HB2 LEU 36 HB2 LEU 36 7.802 6.877 -6.086 240 HB3 LEU 36 HB3 LEU 36 7.291 8.425 -6.740 241 HG LEU 36 HG LEU 36 9.461 9.443 -6.257 242 HD11 LEU 36 HD11 LEU 36 10.198 6.661 -5.278 243 HD12 LEU 36 HD12 LEU 36 10.274 8.180 -4.361 244 HD13 LEU 36 HD13 LEU 36 11.391 7.928 -5.701 245 HD21 LEU 36 HD21 LEU 36 9.737 6.823 -7.792 246 HD22 LEU 36 HD22 LEU 36 10.726 8.284 -7.985 247 HD23 LEU 36 HD23 LEU 36 9.016 8.314 -8.438 248 H ASP 37 H ASP 37 5.427 6.886 -3.869 249 HA ASP 37 HA ASP 37 3.343 8.913 -3.831 250 HB2 ASP 37 HB2 ASP 37 3.499 6.964 -6.162 251 HB3 ASP 37 HB3 ASP 37 1.961 7.553 -5.591 252 H ALA 38 H ALA 38 1.362 8.118 -2.912 253 HA ALA 38 HA ALA 38 0.943 5.260 -2.676 254 HB1 ALA 38 HB1 ALA 38 0.409 5.420 -0.229 255 HB2 ALA 38 HB2 ALA 38 2.127 5.645 -0.597 256 HB3 ALA 38 HB3 ALA 38 1.129 7.053 -0.221 257 H LYS 39 H LYS 39 -1.255 4.745 -2.406 258 HA LYS 39 HA LYS 39 -3.227 6.970 -2.886 259 HB2 LYS 39 HB2 LYS 39 -2.717 5.727 -4.961 260 HB3 LYS 39 HB3 LYS 39 -3.075 4.210 -4.156 261 HG2 LYS 39 HG2 LYS 39 -4.894 4.809 -5.599 262 HG3 LYS 39 HG3 LYS 39 -5.480 4.836 -3.944 263 HD2 LYS 39 HD2 LYS 39 -5.360 7.295 -3.914 264 HD3 LYS 39 HD3 LYS 39 -4.516 7.310 -5.469 265 HE2 LYS 39 HE2 LYS 39 -6.540 6.294 -6.543 266 HE3 LYS 39 HE3 LYS 39 -7.385 6.399 -4.988 267 HZ1 LYS 39 HZ1 LYS 39 -6.270 8.724 -6.474 268 HZ2 LYS 39 HZ2 LYS 39 -7.058 8.811 -5.057 269 HZ3 LYS 39 HZ3 LYS 39 -7.871 8.339 -6.413 270 H ILE 40 H ILE 40 -4.910 7.035 -1.559 271 HA ILE 40 HA ILE 40 -5.862 4.532 -0.228 272 HB ILE 40 HB ILE 40 -5.317 6.717 1.106 273 HG12 ILE 40 HG12 ILE 40 -6.157 4.839 2.197 274 HG13 ILE 40 HG13 ILE 40 -7.022 6.256 2.766 275 HG21 ILE 40 HG21 ILE 40 -8.135 7.474 0.261 276 HG22 ILE 40 HG22 ILE 40 -7.114 8.277 1.460 277 HG23 ILE 40 HG23 ILE 40 -6.643 8.298 -0.239 278 HD11 ILE 40 HD11 ILE 40 -8.611 4.531 2.675 279 HD12 ILE 40 HD12 ILE 40 -8.971 5.546 1.270 280 HD13 ILE 40 HD13 ILE 40 -8.099 3.994 1.081 281 H ILE 41 H ILE 41 -7.896 3.730 -0.859 282 HA ILE 41 HA ILE 41 -9.528 5.557 -2.531 283 HB ILE 41 HB ILE 41 -8.542 3.987 -3.999 284 HG12 ILE 41 HG12 ILE 41 -10.585 2.999 -5.035 285 HG13 ILE 41 HG13 ILE 41 -11.521 3.566 -3.648 286 HG21 ILE 41 HG21 ILE 41 -9.208 2.017 -1.921 287 HG22 ILE 41 HG22 ILE 41 -9.610 1.492 -3.555 288 HG23 ILE 41 HG23 ILE 41 -7.955 2.047 -3.167 289 HD11 ILE 41 HD11 ILE 41 -11.667 5.092 -5.584 290 HD12 ILE 41 HD12 ILE 41 -10.956 5.905 -4.185 291 HD13 ILE 41 HD13 ILE 41 -9.913 5.352 -5.519 292 H ASN 42 H ASN 42 -11.422 5.961 -2.089 293 HA ASN 42 HA ASN 42 -13.182 4.444 -0.372 294 HB2 ASN 42 HB2 ASN 42 -13.390 6.219 1.329 295 HB3 ASN 42 HB3 ASN 42 -11.769 5.553 1.306 296 HD21 ASN 42 HD21 ASN 42 -11.597 7.607 2.630 297 HD22 ASN 42 HD22 ASN 42 -11.178 9.077 1.745 298 H ASP 43 H ASP 43 -15.232 5.559 -0.150 299 HA ASP 43 HA ASP 43 -16.045 7.111 -2.571 300 HB2 ASP 43 HB2 ASP 43 -17.439 5.161 -0.691 301 HB3 ASP 43 HB3 ASP 43 -18.295 6.122 -1.887 302 H ARG 44 H ARG 44 -15.522 9.218 -1.760 303 HA ARG 44 HA ARG 44 -16.140 10.040 0.944 304 HB2 ARG 44 HB2 ARG 44 -15.409 11.712 -1.488 305 HB3 ARG 44 HB3 ARG 44 -15.447 12.291 0.179 306 HG2 ARG 44 HG2 ARG 44 -13.729 10.602 0.807 307 HG3 ARG 44 HG3 ARG 44 -13.613 10.083 -0.868 308 HD2 ARG 44 HD2 ARG 44 -12.938 12.863 0.175 309 HD3 ARG 44 HD3 ARG 44 -11.786 11.573 -0.173 310 HE ARG 44 HE ARG 44 -13.521 12.640 -2.361 311 HH11 ARG 44 HH11 ARG 44 -10.177 12.075 -1.273 312 HH12 ARG 44 HH12 ARG 44 -9.568 12.646 -2.802 313 HH21 ARG 44 HH21 ARG 44 -12.624 13.507 -4.096 314 HH22 ARG 44 HH22 ARG 44 -10.892 13.516 -4.314 315 H GLU 45 H GLU 45 -18.148 9.951 -1.864 316 HA GLU 45 HA GLU 45 -20.075 11.940 -1.091 317 HB2 GLU 45 HB2 GLU 45 -19.729 10.699 -3.358 318 HB3 GLU 45 HB3 GLU 45 -20.725 9.422 -2.645 319 HG2 GLU 45 HG2 GLU 45 -22.453 11.318 -2.204 320 HG3 GLU 45 HG3 GLU 45 -21.452 12.319 -3.251 321 H THR 46 H THR 46 -19.547 8.640 0.048 322 HA THR 46 HA THR 46 -21.796 8.982 2.003 323 HB THR 46 HB THR 46 -22.036 6.510 2.052 324 HG1 THR 46 HG1 THR 46 -20.862 6.376 -0.470 325 HG21 THR 46 HG21 THR 46 -23.610 7.878 0.748 326 HG22 THR 46 HG22 THR 46 -23.324 6.310 -0.022 327 HG23 THR 46 HG23 THR 46 -22.551 7.774 -0.672 328 H GLY 47 H GLY 47 -18.445 8.652 1.710 329 HA2 GLY 47 HA2 GLY 47 -16.854 8.770 3.392 330 HA3 GLY 47 HA3 GLY 47 -18.093 8.512 4.621 331 H ARG 48 H ARG 48 -18.133 6.218 2.063 332 HA ARG 48 HA ARG 48 -17.408 4.023 3.871 333 HB2 ARG 48 HB2 ARG 48 -19.328 3.768 2.495 334 HB3 ARG 48 HB3 ARG 48 -18.493 4.229 1.037 335 HG2 ARG 48 HG2 ARG 48 -17.539 1.759 2.501 336 HG3 ARG 48 HG3 ARG 48 -19.058 1.696 1.603 337 HD2 ARG 48 HD2 ARG 48 -17.958 2.445 -0.451 338 HD3 ARG 48 HD3 ARG 48 -16.398 2.546 0.375 339 HE ARG 48 HE ARG 48 -17.254 -0.068 0.825 340 HH11 ARG 48 HH11 ARG 48 -16.616 1.780 -2.143 341 HH12 ARG 48 HH12 ARG 48 -16.558 0.278 -3.056 342 HH21 ARG 48 HH21 ARG 48 -16.862 -1.761 -0.316 343 HH22 ARG 48 HH22 ARG 48 -16.276 -1.660 -1.975 344 H SER 49 H SER 49 -15.497 3.022 4.009 345 HA SER 49 HA SER 49 -13.267 3.831 2.220 346 HB2 SER 49 HB2 SER 49 -13.264 2.047 4.687 347 HB3 SER 49 HB3 SER 49 -11.842 2.643 3.809 348 HG SER 49 HG SER 49 -13.621 4.020 5.488 349 H ARG 50 H ARG 50 -12.447 2.491 0.562 350 HA ARG 50 HA ARG 50 -13.508 -0.247 0.137 351 HB2 ARG 50 HB2 ARG 50 -11.051 1.222 -0.931 352 HB3 ARG 50 HB3 ARG 50 -11.409 -0.429 -1.330 353 HG2 ARG 50 HG2 ARG 50 -13.588 1.574 -1.875 354 HG3 ARG 50 HG3 ARG 50 -12.121 1.678 -2.844 355 HD2 ARG 50 HD2 ARG 50 -13.777 -0.830 -2.570 356 HD3 ARG 50 HD3 ARG 50 -13.811 0.297 -3.939 357 HE ARG 50 HE ARG 50 -11.339 -0.254 -4.266 358 HH11 ARG 50 HH11 ARG 50 -13.657 -2.709 -3.285 359 HH12 ARG 50 HH12 ARG 50 -12.547 -4.000 -3.668 360 HH21 ARG 50 HH21 ARG 50 -10.093 -1.874 -4.830 361 HH22 ARG 50 HH22 ARG 50 -10.580 -3.551 -4.602 362 H GLY 51 H GLY 51 -10.664 1.277 1.510 363 HA2 GLY 51 HA2 GLY 51 -9.419 0.609 3.324 364 HA3 GLY 51 HA3 GLY 51 -10.154 -0.956 3.405 365 H PHE 52 H PHE 52 -8.927 0.135 0.360 366 HA PHE 52 HA PHE 52 -6.457 -1.488 0.526 367 HB2 PHE 52 HB2 PHE 52 -8.348 -1.278 -1.824 368 HB3 PHE 52 HB3 PHE 52 -6.765 -2.005 -1.883 369 HD1 PHE 52 HD2 PHE 52 -6.338 -4.222 -0.966 370 HD2 PHE 52 HD1 PHE 52 -10.272 -2.462 -0.851 371 HE1 PHE 52 HE2 PHE 52 -7.331 -6.464 -0.600 372 HE2 PHE 52 HE1 PHE 52 -11.267 -4.709 -0.507 373 HZ PHE 52 HZ PHE 52 -9.803 -6.713 -0.389 374 H GLY 53 H GLY 53 -4.900 -0.795 -1.218 375 HA2 GLY 53 HA2 GLY 53 -5.075 1.907 -2.296 376 HA3 GLY 53 HA3 GLY 53 -4.014 1.768 -0.889 377 H PHE 54 H PHE 54 -2.775 2.637 -2.903 378 HA PHE 54 HA PHE 54 -1.062 0.388 -3.824 379 HB2 PHE 54 HB2 PHE 54 -1.428 3.010 -5.303 380 HB3 PHE 54 HB3 PHE 54 -0.328 1.719 -5.735 381 HD1 PHE 54 HD2 PHE 54 -1.552 -0.710 -5.974 382 HD2 PHE 54 HD1 PHE 54 -3.382 3.142 -6.600 383 HE1 PHE 54 HE2 PHE 54 -3.266 -1.757 -7.443 384 HE2 PHE 54 HE1 PHE 54 -5.087 2.097 -8.063 385 HZ PHE 54 HZ PHE 54 -5.042 -0.354 -8.481 386 H VAL 55 H VAL 55 1.212 0.817 -3.793 387 HA VAL 55 HA VAL 55 2.132 3.405 -2.752 388 HB VAL 55 HB VAL 55 1.861 2.093 -0.715 389 HG11 VAL 55 HG11 VAL 55 3.923 0.147 -1.810 390 HG12 VAL 55 HG12 VAL 55 3.200 0.156 -0.189 391 HG13 VAL 55 HG13 VAL 55 2.189 -0.189 -1.596 392 HG21 VAL 55 HG21 VAL 55 4.812 2.433 -1.341 393 HG22 VAL 55 HG22 VAL 55 3.710 3.766 -0.923 394 HG23 VAL 55 HG23 VAL 55 4.026 2.475 0.249 395 H SER 56 H SER 56 3.979 4.087 -3.639 396 HA SER 56 HA SER 56 5.131 2.386 -5.805 397 HB2 SER 56 HB2 SER 56 4.859 5.389 -5.753 398 HB3 SER 56 HB3 SER 56 5.297 4.373 -7.119 399 HG SER 56 HG SER 56 3.167 4.921 -7.345 400 H PHE 57 H PHE 57 7.229 2.131 -6.004 401 HA PHE 57 HA PHE 57 8.970 3.168 -3.871 402 HB2 PHE 57 HB2 PHE 57 9.344 0.969 -5.939 403 HB3 PHE 57 HB3 PHE 57 10.439 1.299 -4.607 404 HD1 PHE 57 HD2 PHE 57 7.110 -0.058 -5.499 405 HD2 PHE 57 HD1 PHE 57 9.886 0.737 -2.294 406 HE1 PHE 57 HE2 PHE 57 5.752 -1.464 -3.970 407 HE2 PHE 57 HE1 PHE 57 8.558 -0.706 -0.791 408 HZ PHE 57 HZ PHE 57 6.479 -1.812 -1.629 409 H SER 58 H SER 58 11.375 3.274 -4.517 410 HA SER 58 HA SER 58 11.828 5.125 -6.796 411 HB2 SER 58 HB2 SER 58 14.047 5.454 -5.456 412 HB3 SER 58 HB3 SER 58 12.559 6.185 -4.860 413 HG SER 58 HG SER 58 12.459 4.890 -3.242 414 H ASN 59 H ASN 59 12.344 1.826 -6.048 415 HA ASN 59 HA ASN 59 14.130 1.448 -8.330 416 HB2 ASN 59 HB2 ASN 59 14.978 0.818 -5.469 417 HB3 ASN 59 HB3 ASN 59 15.669 -0.028 -6.843 418 HD21 ASN 59 HD21 ASN 59 16.491 2.311 -4.786 419 HD22 ASN 59 HD22 ASN 59 17.347 3.391 -5.883 420 H GLU 60 H GLU 60 14.413 -0.741 -8.922 421 HA GLU 60 HA GLU 60 11.974 -2.233 -8.877 422 HB2 GLU 60 HB2 GLU 60 14.637 -3.404 -9.740 423 HB3 GLU 60 HB3 GLU 60 13.018 -3.736 -10.324 424 HG2 GLU 60 HG2 GLU 60 13.795 -2.544 -12.079 425 HG3 GLU 60 HG3 GLU 60 13.084 -1.229 -11.157 426 H GLN 61 H GLN 61 15.137 -2.886 -7.308 427 HA GLN 61 HA GLN 61 14.274 -5.339 -6.031 428 HB2 GLN 61 HB2 GLN 61 16.642 -3.486 -5.559 429 HB3 GLN 61 HB3 GLN 61 16.388 -5.001 -4.683 430 HG2 GLN 61 HG2 GLN 61 16.496 -6.303 -6.736 431 HG3 GLN 61 HG3 GLN 61 16.605 -4.849 -7.716 432 HE21 GLN 61 HE21 GLN 61 18.549 -6.079 -8.494 433 HE22 GLN 61 HE22 GLN 61 20.070 -5.867 -7.639 434 H ALA 62 H ALA 62 14.248 -1.928 -4.967 435 HA ALA 62 HA ALA 62 13.792 -2.397 -2.185 436 HB1 ALA 62 HB1 ALA 62 12.957 -0.079 -2.188 437 HB2 ALA 62 HB2 ALA 62 14.443 -0.220 -3.144 438 HB3 ALA 62 HB3 ALA 62 12.868 -0.091 -3.964 439 H MET 63 H MET 63 11.533 -2.294 -4.940 440 HA MET 63 HA MET 63 9.083 -2.612 -3.507 441 HB2 MET 63 HB2 MET 63 9.237 -2.029 -5.890 442 HB3 MET 63 HB3 MET 63 9.973 -3.591 -6.248 443 HG2 MET 63 HG2 MET 63 7.915 -4.743 -5.545 444 HG3 MET 63 HG3 MET 63 7.149 -3.185 -5.215 445 HE1 MET 63 HE1 MET 63 5.458 -4.719 -8.498 446 HE2 MET 63 HE2 MET 63 6.200 -5.673 -7.193 447 HE3 MET 63 HE3 MET 63 5.189 -4.263 -6.799 448 H GLN 64 H GLN 64 11.462 -5.078 -4.640 449 HA GLN 64 HA GLN 64 9.782 -7.297 -3.786 450 HB2 GLN 64 HB2 GLN 64 12.758 -7.318 -4.464 451 HB3 GLN 64 HB3 GLN 64 11.661 -8.689 -4.381 452 HG2 GLN 64 HG2 GLN 64 11.832 -6.535 -6.483 453 HG3 GLN 64 HG3 GLN 64 11.901 -8.284 -6.686 454 HE21 GLN 64 HE21 GLN 64 9.755 -9.444 -5.966 455 HE22 GLN 64 HE22 GLN 64 8.257 -8.615 -6.386 456 H ASP 65 H ASP 65 12.686 -5.722 -2.450 457 HA ASP 65 HA ASP 65 13.024 -7.377 -0.168 458 HB2 ASP 65 HB2 ASP 65 14.630 -5.681 -1.131 459 HB3 ASP 65 HB3 ASP 65 13.609 -4.399 -0.476 460 H ALA 66 H ALA 66 10.908 -4.553 -0.717 461 HA ALA 66 HA ALA 66 9.925 -4.451 2.015 462 HB1 ALA 66 HB1 ALA 66 9.858 -2.496 0.541 463 HB2 ALA 66 HB2 ALA 66 8.759 -3.338 -0.570 464 HB3 ALA 66 HB3 ALA 66 8.225 -2.934 1.079 465 H ILE 67 H ILE 67 8.301 -5.634 -1.003 466 HA ILE 67 HA ILE 67 6.056 -6.802 0.154 467 HB ILE 67 HB ILE 67 7.631 -7.625 -2.298 468 HG12 ILE 67 HG12 ILE 67 4.969 -6.128 -2.075 469 HG13 ILE 67 HG13 ILE 67 6.510 -5.303 -2.153 470 HG21 ILE 67 HG21 ILE 67 5.591 -8.821 -3.084 471 HG22 ILE 67 HG22 ILE 67 6.261 -9.578 -1.645 472 HG23 ILE 67 HG23 ILE 67 4.822 -8.542 -1.515 473 HD11 ILE 67 HD11 ILE 67 5.228 -6.989 -4.327 474 HD12 ILE 67 HD12 ILE 67 5.711 -5.288 -4.367 475 HD13 ILE 67 HD13 ILE 67 6.953 -6.548 -4.356 476 H GLU 68 H GLU 68 9.262 -8.445 -0.236 477 HA GLU 68 HA GLU 68 8.360 -10.890 1.000 478 HB2 GLU 68 HB2 GLU 68 10.292 -10.574 -0.587 479 HB3 GLU 68 HB3 GLU 68 11.216 -9.867 0.745 480 HG2 GLU 68 HG2 GLU 68 11.117 -11.985 1.972 481 HG3 GLU 68 HG3 GLU 68 9.969 -12.653 0.805 482 H GLY 69 H GLY 69 9.273 -7.866 2.415 483 HA2 GLY 69 HA2 GLY 69 9.546 -8.956 5.171 484 HA3 GLY 69 HA3 GLY 69 9.900 -7.320 4.627 485 H MET 70 H MET 70 7.057 -7.871 3.173 486 HA MET 70 HA MET 70 5.473 -6.508 5.284 487 HB2 MET 70 HB2 MET 70 5.449 -6.701 2.276 488 HB3 MET 70 HB3 MET 70 3.970 -6.180 3.060 489 HG2 MET 70 HG2 MET 70 6.734 -4.931 3.493 490 HG3 MET 70 HG3 MET 70 5.579 -4.347 2.316 491 HE1 MET 70 HE1 MET 70 6.219 -2.024 3.583 492 HE2 MET 70 HE2 MET 70 5.809 -1.667 5.276 493 HE3 MET 70 HE3 MET 70 7.106 -2.825 4.894 494 H ASN 71 H ASN 71 5.436 -9.501 3.463 495 HA ASN 71 HA ASN 71 2.777 -10.104 3.331 496 HB2 ASN 71 HB2 ASN 71 4.771 -11.251 2.295 497 HB3 ASN 71 HB3 ASN 71 5.016 -12.119 3.812 498 HD21 ASN 71 HD21 ASN 71 4.722 -13.697 1.723 499 HD22 ASN 71 HD22 ASN 71 3.049 -14.251 1.509 500 H GLY 72 H GLY 72 1.409 -9.688 5.022 501 HA2 GLY 72 HA2 GLY 72 0.031 -10.577 6.680 502 HA3 GLY 72 HA3 GLY 72 1.296 -11.687 7.177 503 H LYS 73 H LYS 73 2.521 -8.454 7.035 504 HA LYS 73 HA LYS 73 2.781 -8.256 9.926 505 HB2 LYS 73 HB2 LYS 73 3.247 -6.286 7.645 506 HB3 LYS 73 HB3 LYS 73 3.399 -5.833 9.335 507 HG2 LYS 73 HG2 LYS 73 4.955 -8.127 9.269 508 HG3 LYS 73 HG3 LYS 73 5.243 -7.443 7.663 509 HD2 LYS 73 HD2 LYS 73 5.532 -6.018 10.346 510 HD3 LYS 73 HD3 LYS 73 6.866 -6.601 9.362 511 HE2 LYS 73 HE2 LYS 73 6.530 -4.966 7.675 512 HE3 LYS 73 HE3 LYS 73 4.882 -4.611 8.215 513 HZ1 LYS 73 HZ1 LYS 73 6.413 -2.884 8.901 514 HZ2 LYS 73 HZ2 LYS 73 7.335 -3.928 9.731 515 HZ3 LYS 73 HZ3 LYS 73 5.790 -3.624 10.235 516 H GLU 74 H GLU 74 2.001 -6.583 11.314 517 HA GLU 74 HA GLU 74 -0.801 -5.712 10.750 518 HB2 GLU 74 HB2 GLU 74 0.872 -5.759 13.280 519 HB3 GLU 74 HB3 GLU 74 -0.708 -4.969 13.154 520 HG2 GLU 74 HG2 GLU 74 -1.827 -7.042 12.715 521 HG3 GLU 74 HG3 GLU 74 -0.302 -7.910 12.518 522 H LEU 75 H LEU 75 -0.935 -3.852 9.658 523 HA LEU 75 HA LEU 75 0.707 -1.494 10.542 524 HB2 LEU 75 HB2 LEU 75 -0.366 -2.283 7.845 525 HB3 LEU 75 HB3 LEU 75 -0.426 -0.591 8.291 526 HG LEU 75 HG LEU 75 1.946 -0.415 8.520 527 HD11 LEU 75 HD11 LEU 75 2.095 -3.393 7.945 528 HD12 LEU 75 HD12 LEU 75 2.634 -2.534 9.410 529 HD13 LEU 75 HD13 LEU 75 3.481 -2.278 7.886 530 HD21 LEU 75 HD21 LEU 75 1.004 -0.169 6.277 531 HD22 LEU 75 HD22 LEU 75 1.168 -1.916 5.985 532 HD23 LEU 75 HD23 LEU 75 2.609 -0.911 6.173 533 H ASP 76 H ASP 76 -0.441 0.142 11.467 534 HA ASP 76 HA ASP 76 -2.051 0.963 12.773 535 HB2 ASP 76 HB2 ASP 76 -2.635 1.765 10.477 536 HB3 ASP 76 HB3 ASP 76 -3.929 0.556 10.427 537 H GLY 77 H GLY 77 -1.683 -1.845 13.168 538 HA2 GLY 77 HA2 GLY 77 -2.552 -3.465 14.573 539 HA3 GLY 77 HA3 GLY 77 -4.068 -2.574 14.683 540 H ARG 78 H ARG 78 -3.369 -3.038 11.408 541 HA ARG 78 HA ARG 78 -5.343 -5.290 11.206 542 HB2 ARG 78 HB2 ARG 78 -4.757 -2.905 9.415 543 HB3 ARG 78 HB3 ARG 78 -5.957 -4.146 9.072 544 HG2 ARG 78 HG2 ARG 78 -6.119 -2.499 11.627 545 HG3 ARG 78 HG3 ARG 78 -6.685 -1.845 10.103 546 HD2 ARG 78 HD2 ARG 78 -7.635 -4.542 11.116 547 HD3 ARG 78 HD3 ARG 78 -8.399 -3.016 11.608 548 HE ARG 78 HE ARG 78 -8.166 -3.090 8.755 549 HH11 ARG 78 HH11 ARG 78 -10.147 -4.517 11.291 550 HH12 ARG 78 HH12 ARG 78 -11.575 -4.510 10.263 551 HH21 ARG 78 HH21 ARG 78 -9.951 -3.385 7.462 552 HH22 ARG 78 HH22 ARG 78 -11.413 -4.027 8.144 553 H SER 79 H SER 79 -4.784 -7.106 10.151 554 HA SER 79 HA SER 79 -1.990 -7.431 9.435 555 HB2 SER 79 HB2 SER 79 -4.301 -9.377 9.433 556 HB3 SER 79 HB3 SER 79 -2.605 -9.813 9.121 557 HG SER 79 HG SER 79 -2.193 -9.656 11.171 558 H ILE 80 H ILE 80 -1.153 -6.880 7.548 559 HA ILE 80 HA ILE 80 -2.824 -6.348 5.259 560 HB ILE 80 HB ILE 80 -0.979 -5.293 4.258 561 HG12 ILE 80 HG12 ILE 80 0.871 -6.576 6.305 562 HG13 ILE 80 HG13 ILE 80 0.796 -6.948 4.586 563 HG21 ILE 80 HG21 ILE 80 -0.709 -4.703 7.226 564 HG22 ILE 80 HG22 ILE 80 -0.437 -3.604 5.854 565 HG23 ILE 80 HG23 ILE 80 -2.054 -4.164 6.202 566 HD11 ILE 80 HD11 ILE 80 1.719 -4.327 5.802 567 HD12 ILE 80 HD12 ILE 80 2.678 -5.534 4.957 568 HD13 ILE 80 HD13 ILE 80 1.469 -4.599 4.057 569 H VAL 81 H VAL 81 -2.399 -6.890 3.075 570 HA VAL 81 HA VAL 81 -0.739 -9.301 2.519 571 HB VAL 81 HB VAL 81 -3.563 -8.845 1.511 572 HG11 VAL 81 HG11 VAL 81 -1.552 -10.904 0.508 573 HG12 VAL 81 HG12 VAL 81 -3.274 -10.837 0.093 574 HG13 VAL 81 HG13 VAL 81 -2.204 -9.542 -0.432 575 HG21 VAL 81 HG21 VAL 81 -3.918 -11.139 2.373 576 HG22 VAL 81 HG22 VAL 81 -2.235 -11.182 2.947 577 HG23 VAL 81 HG23 VAL 81 -3.397 -10.043 3.657 578 H VAL 82 H VAL 82 0.536 -9.087 0.796 579 HA VAL 82 HA VAL 82 0.568 -6.481 -0.664 580 HB VAL 82 HB VAL 82 3.078 -6.925 -0.799 581 HG11 VAL 82 HG11 VAL 82 1.900 -5.028 0.270 582 HG12 VAL 82 HG12 VAL 82 1.839 -5.956 1.791 583 HG13 VAL 82 HG13 VAL 82 3.399 -5.473 1.060 584 HG21 VAL 82 HG21 VAL 82 2.544 -8.320 1.850 585 HG22 VAL 82 HG22 VAL 82 3.028 -9.165 0.363 586 HG23 VAL 82 HG23 VAL 82 4.108 -7.983 1.081 587 H ASN 83 H ASN 83 0.516 -6.632 -2.879 588 HA ASN 83 HA ASN 83 2.176 -8.603 -4.243 589 HB2 ASN 83 HB2 ASN 83 0.397 -9.417 -5.760 590 HB3 ASN 83 HB3 ASN 83 0.221 -9.987 -4.107 591 HD21 ASN 83 HD21 ASN 83 -1.556 -8.875 -6.673 592 HD22 ASN 83 HD22 ASN 83 -2.976 -8.394 -5.724 593 H GLU 84 H GLU 84 2.584 -8.106 -6.468 594 HA GLU 84 HA GLU 84 2.915 -5.413 -7.028 595 HB2 GLU 84 HB2 GLU 84 3.601 -6.105 -9.257 596 HB3 GLU 84 HB3 GLU 84 4.208 -7.186 -8.020 597 HG2 GLU 84 HG2 GLU 84 3.576 -8.623 -9.751 598 HG3 GLU 84 HG3 GLU 84 2.288 -8.778 -8.560 599 H ALA 85 H ALA 85 2.029 -3.899 -8.617 600 HA ALA 85 HA ALA 85 -0.755 -4.532 -9.525 601 HB1 ALA 85 HB1 ALA 85 0.324 -1.901 -8.482 602 HB2 ALA 85 HB2 ALA 85 -1.300 -2.162 -9.137 603 HB3 ALA 85 HB3 ALA 85 -0.799 -2.991 -7.652 604 H GLN 86 H GLN 86 2.058 -4.583 -10.943 605 HA GLN 86 HA GLN 86 1.648 -2.602 -13.095 606 HB2 GLN 86 HB2 GLN 86 3.675 -3.624 -14.105 607 HB3 GLN 86 HB3 GLN 86 3.890 -2.887 -12.523 608 HG2 GLN 86 HG2 GLN 86 3.946 -5.099 -11.445 609 HG3 GLN 86 HG3 GLN 86 3.644 -5.885 -13.002 610 HE21 GLN 86 HE21 GLN 86 5.967 -3.384 -11.667 611 HE22 GLN 86 HE22 GLN 86 7.374 -4.202 -12.352 612 H SER 87 H SER 87 0.795 -5.948 -12.474 613 HA SER 87 HA SER 87 -0.159 -6.493 -15.182 614 HB2 SER 87 HB2 SER 87 -1.312 -8.370 -14.133 615 HB3 SER 87 HB3 SER 87 0.364 -8.287 -13.570 616 HG SER 87 HG SER 87 -0.313 -7.998 -11.615 617 H ARG 88 H ARG 88 -1.396 -4.581 -12.562 618 HA ARG 88 HA ARG 88 -4.217 -4.779 -13.406 619 HB2 ARG 88 HB2 ARG 88 -3.286 -4.812 -10.996 620 HB3 ARG 88 HB3 ARG 88 -3.129 -3.059 -11.156 621 HG2 ARG 88 HG2 ARG 88 -5.586 -2.940 -11.691 622 HG3 ARG 88 HG3 ARG 88 -5.692 -4.692 -11.481 623 HD2 ARG 88 HD2 ARG 88 -4.963 -2.657 -9.336 624 HD3 ARG 88 HD3 ARG 88 -6.506 -3.500 -9.515 625 HE ARG 88 HE ARG 88 -4.040 -5.143 -9.145 626 HH11 ARG 88 HH11 ARG 88 -7.093 -4.115 -7.627 627 HH12 ARG 88 HH12 ARG 88 -6.982 -5.477 -6.530 628 HH21 ARG 88 HH21 ARG 88 -3.960 -6.581 -7.685 629 HH22 ARG 88 HH22 ARG 88 -5.175 -6.772 -6.438 630 H GLY 89 H GLY 89 -1.610 -2.417 -13.513 631 HA2 GLY 89 HA2 GLY 89 -3.171 -0.234 -14.684 632 HA3 GLY 89 HA3 GLY 89 -1.416 -0.363 -14.591 633 H TYR 90 H TYR 90 -2.154 0.700 -16.820 634 HA TYR 90 HA TYR 90 -3.051 -0.922 -18.973 635 HB2 TYR 90 HB2 TYR 90 -3.202 1.502 -18.932 636 HB3 TYR 90 HB3 TYR 90 -1.455 1.663 -18.855 637 HD1 TYR 90 HD1 TYR 90 -4.323 0.705 -21.020 638 HD2 TYR 90 HD2 TYR 90 -0.093 1.560 -20.860 639 HE1 TYR 90 HE1 TYR 90 -4.219 0.717 -23.512 640 HE2 TYR 90 HE2 TYR 90 0.006 1.539 -23.341 641 HH TYR 90 HH TYR 90 -1.159 1.245 -25.286 642 H GLY 91 H GLY 91 -1.982 -1.843 -20.754 643 HA2 GLY 91 HA2 GLY 91 -0.222 -2.686 -22.026 644 HA3 GLY 91 HA3 GLY 91 0.945 -1.991 -20.917 645 H GLY 92 H GLY 92 1.005 -4.623 -22.126 646 HA2 GLY 92 HA2 GLY 92 2.076 -6.269 -20.233 647 HA3 GLY 92 HA3 GLY 92 0.353 -6.623 -20.078 Start of MODEL 11 1 H1 MET 1 H1 MET 1 8.505 -9.220 -7.546 2 H2 MET 1 H2 MET 1 9.856 -9.927 -6.910 3 H3 MET 1 H3 MET 1 8.414 -10.125 -6.167 4 HA MET 1 HA MET 1 9.212 -12.059 -7.446 5 HB2 MET 1 HB2 MET 1 6.560 -10.865 -8.306 6 HB3 MET 1 HB3 MET 1 7.056 -12.535 -8.570 7 HG2 MET 1 HG2 MET 1 6.628 -11.174 -5.896 8 HG3 MET 1 HG3 MET 1 5.618 -12.408 -6.638 9 HE1 MET 1 HE1 MET 1 6.703 -12.421 -3.638 10 HE2 MET 1 HE2 MET 1 5.645 -13.685 -4.311 11 HE3 MET 1 HE3 MET 1 7.138 -14.134 -3.455 12 H ALA 2 H ALA 2 7.569 -11.197 -10.362 13 HA ALA 2 HA ALA 2 10.215 -10.601 -11.654 14 HB1 ALA 2 HB1 ALA 2 9.318 -12.811 -12.248 15 HB2 ALA 2 HB2 ALA 2 7.814 -12.047 -12.814 16 HB3 ALA 2 HB3 ALA 2 9.350 -11.704 -13.634 17 H GLU 3 H GLU 3 9.860 -8.394 -11.086 18 HA GLU 3 HA GLU 3 7.954 -6.925 -12.828 19 HB2 GLU 3 HB2 GLU 3 9.611 -5.916 -10.488 20 HB3 GLU 3 HB3 GLU 3 8.438 -4.995 -11.431 21 HG2 GLU 3 HG2 GLU 3 7.370 -5.608 -9.398 22 HG3 GLU 3 HG3 GLU 3 6.634 -6.558 -10.689 23 H SER 4 H SER 4 9.080 -7.200 -14.844 24 HA SER 4 HA SER 4 11.779 -6.026 -15.157 25 HB2 SER 4 HB2 SER 4 9.877 -7.354 -17.117 26 HB3 SER 4 HB3 SER 4 11.515 -6.836 -17.490 27 HG SER 4 HG SER 4 12.046 -8.211 -15.507 28 H ASP 5 H ASP 5 11.872 -4.770 -17.481 29 HA ASP 5 HA ASP 5 10.922 -2.151 -16.970 30 HB2 ASP 5 HB2 ASP 5 12.030 -3.509 -19.449 31 HB3 ASP 5 HB3 ASP 5 11.553 -1.818 -19.461 32 H GLY 6 H GLY 6 9.160 -4.728 -18.617 33 HA2 GLY 6 HA2 GLY 6 7.085 -2.923 -19.684 34 HA3 GLY 6 HA3 GLY 6 7.055 -4.686 -19.641 35 H ALA 7 H ALA 7 7.741 -4.552 -16.669 36 HA ALA 7 HA ALA 7 4.985 -4.162 -15.644 37 HB1 ALA 7 HB1 ALA 7 7.376 -5.591 -14.467 38 HB2 ALA 7 HB2 ALA 7 5.715 -5.629 -13.832 39 HB3 ALA 7 HB3 ALA 7 6.080 -6.376 -15.393 40 H GLU 8 H GLU 8 5.552 -3.788 -12.954 41 HA GLU 8 HA GLU 8 7.053 -1.265 -12.777 42 HB2 GLU 8 HB2 GLU 8 5.052 -0.177 -11.664 43 HB3 GLU 8 HB3 GLU 8 4.984 -0.381 -13.409 44 HG2 GLU 8 HG2 GLU 8 3.430 -2.327 -13.161 45 HG3 GLU 8 HG3 GLU 8 3.526 -2.172 -11.412 46 H TYR 9 H TYR 9 8.046 -0.864 -10.912 47 HA TYR 9 HA TYR 9 7.586 -2.721 -8.634 48 HB2 TYR 9 HB2 TYR 9 9.450 -1.227 -7.603 49 HB3 TYR 9 HB3 TYR 9 9.804 -2.526 -8.711 50 HD1 TYR 9 HD1 TYR 9 10.645 -2.132 -10.974 51 HD2 TYR 9 HD2 TYR 9 9.877 1.121 -8.257 52 HE1 TYR 9 HE1 TYR 9 12.099 -0.652 -12.340 53 HE2 TYR 9 HE2 TYR 9 11.318 2.617 -9.642 54 HH TYR 9 HH TYR 9 12.649 2.784 -11.498 55 H ARG 10 H ARG 10 5.489 -2.086 -8.734 56 HA ARG 10 HA ARG 10 4.685 0.042 -6.841 57 HB2 ARG 10 HB2 ARG 10 4.501 0.989 -9.108 58 HB3 ARG 10 HB3 ARG 10 3.592 -0.419 -9.654 59 HG2 ARG 10 HG2 ARG 10 1.676 0.195 -8.311 60 HG3 ARG 10 HG3 ARG 10 2.575 1.517 -7.536 61 HD2 ARG 10 HD2 ARG 10 2.791 2.720 -9.615 62 HD3 ARG 10 HD3 ARG 10 2.159 1.371 -10.549 63 HE ARG 10 HE ARG 10 0.629 3.363 -9.058 64 HH11 ARG 10 HH11 ARG 10 0.406 0.255 -10.784 65 HH12 ARG 10 HH12 ARG 10 -1.344 0.395 -10.780 66 HH21 ARG 10 HH21 ARG 10 -1.632 3.329 -9.247 67 HH22 ARG 10 HH22 ARG 10 -2.370 1.926 -9.999 68 H CYS 11 H CYS 11 3.101 -0.796 -5.449 69 HA CYS 11 HA CYS 11 2.017 -3.493 -6.127 70 HB2 CYS 11 HB2 CYS 11 3.054 -4.574 -4.484 71 HB3 CYS 11 HB3 CYS 11 4.213 -3.271 -4.593 72 HG CYS 11 HG CYS 11 1.617 -3.586 -2.511 73 H PHE 12 H PHE 12 0.227 -4.217 -5.108 74 HA PHE 12 HA PHE 12 -1.798 -2.284 -4.210 75 HB2 PHE 12 HB2 PHE 12 -2.459 -4.191 -5.580 76 HB3 PHE 12 HB3 PHE 12 -1.653 -5.309 -4.493 77 HD1 PHE 12 HD1 PHE 12 -4.634 -3.136 -4.910 78 HD2 PHE 12 HD2 PHE 12 -2.673 -6.070 -2.428 79 HE1 PHE 12 HE1 PHE 12 -6.753 -3.513 -3.669 80 HE2 PHE 12 HE2 PHE 12 -4.793 -6.427 -1.182 81 HZ PHE 12 HZ PHE 12 -6.836 -5.155 -1.809 82 H VAL 13 H VAL 13 -2.457 -1.999 -2.134 83 HA VAL 13 HA VAL 13 -1.061 -3.431 0.094 84 HB VAL 13 HB VAL 13 -1.578 -0.425 -0.054 85 HG11 VAL 13 HG11 VAL 13 -1.662 -1.277 2.256 86 HG12 VAL 13 HG12 VAL 13 -0.121 -2.140 2.011 87 HG13 VAL 13 HG13 VAL 13 -0.171 -0.364 1.987 88 HG21 VAL 13 HG21 VAL 13 0.884 -0.189 -0.047 89 HG22 VAL 13 HG22 VAL 13 1.050 -1.945 -0.265 90 HG23 VAL 13 HG23 VAL 13 0.297 -0.945 -1.528 91 H GLY 14 H GLY 14 -2.760 -4.669 0.721 92 HA2 GLY 14 HA2 GLY 14 -5.438 -3.467 1.267 93 HA3 GLY 14 HA3 GLY 14 -5.012 -5.176 1.349 94 H SER 15 H SER 15 -6.122 -3.009 3.314 95 HA SER 15 HA SER 15 -5.690 -4.266 5.691 96 HB2 SER 15 HB2 SER 15 -4.209 -2.420 6.909 97 HB3 SER 15 HB3 SER 15 -3.457 -3.813 6.122 98 HG SER 15 HG SER 15 -2.916 -2.606 4.415 99 H LEU 16 H LEU 16 -5.926 -1.128 4.188 100 HA LEU 16 HA LEU 16 -6.348 0.432 6.396 101 HB2 LEU 16 HB2 LEU 16 -7.412 1.095 3.641 102 HB3 LEU 16 HB3 LEU 16 -6.866 2.249 4.830 103 HG LEU 16 HG LEU 16 -5.180 0.285 3.220 104 HD11 LEU 16 HD11 LEU 16 -6.155 2.393 2.231 105 HD12 LEU 16 HD12 LEU 16 -4.385 2.224 2.110 106 HD13 LEU 16 HD13 LEU 16 -5.097 3.312 3.322 107 HD21 LEU 16 HD21 LEU 16 -4.151 0.559 5.493 108 HD22 LEU 16 HD22 LEU 16 -4.158 2.322 5.244 109 HD23 LEU 16 HD23 LEU 16 -3.187 1.270 4.199 110 H SER 17 H SER 17 -8.124 2.008 6.673 111 HA SER 17 HA SER 17 -10.912 1.036 6.644 112 HB2 SER 17 HB2 SER 17 -9.217 1.195 9.179 113 HB3 SER 17 HB3 SER 17 -10.988 1.218 9.203 114 HG SER 17 HG SER 17 -9.725 -0.793 7.718 115 H TRP 18 H TRP 18 -12.278 2.799 7.928 116 HA TRP 18 HA TRP 18 -11.886 5.297 6.725 117 HB2 TRP 18 HB2 TRP 18 -13.625 6.099 8.125 118 HB3 TRP 18 HB3 TRP 18 -13.973 4.396 7.858 119 HD1 TRP 18 HD1 TRP 18 -13.678 2.757 9.969 120 HE1 TRP 18 HE1 TRP 18 -13.405 3.111 12.485 121 HE3 TRP 18 HE3 TRP 18 -12.870 7.817 9.981 122 HZ2 TRP 18 HZ2 TRP 18 -12.741 5.281 14.263 123 HZ3 TRP 18 HZ3 TRP 18 -12.396 8.999 12.114 124 HH2 TRP 18 HH2 TRP 18 -12.297 7.739 14.251 125 H ASN 19 H ASN 19 -10.413 4.186 9.686 126 HA ASN 19 HA ASN 19 -9.377 6.766 10.583 127 HB2 ASN 19 HB2 ASN 19 -10.179 4.980 12.103 128 HB3 ASN 19 HB3 ASN 19 -8.940 3.882 11.495 129 HD21 ASN 19 HD21 ASN 19 -6.815 4.011 12.392 130 HD22 ASN 19 HD22 ASN 19 -6.497 5.128 13.705 131 H THR 20 H THR 20 -8.200 4.288 8.401 132 HA THR 20 HA THR 20 -5.374 5.153 8.687 133 HB THR 20 HB THR 20 -5.934 3.153 6.620 134 HG1 THR 20 HG1 THR 20 -6.429 2.414 9.316 135 HG21 THR 20 HG21 THR 20 -3.666 3.593 7.288 136 HG22 THR 20 HG22 THR 20 -4.088 1.964 7.843 137 HG23 THR 20 HG23 THR 20 -4.051 3.317 8.996 138 H ASP 21 H ASP 21 -4.135 5.885 6.874 139 HA ASP 21 HA ASP 21 -5.477 6.038 4.338 140 HB2 ASP 21 HB2 ASP 21 -5.094 8.500 3.990 141 HB3 ASP 21 HB3 ASP 21 -6.225 8.177 5.283 142 H ASP 22 H ASP 22 -3.696 7.658 2.877 143 HA ASP 22 HA ASP 22 -1.711 5.750 2.282 144 HB2 ASP 22 HB2 ASP 22 -0.720 7.562 0.861 145 HB3 ASP 22 HB3 ASP 22 -2.369 7.217 0.498 146 H ARG 23 H ARG 23 -1.556 8.447 4.558 147 HA ARG 23 HA ARG 23 1.334 8.725 4.545 148 HB2 ARG 23 HB2 ARG 23 -0.369 10.400 5.459 149 HB3 ARG 23 HB3 ARG 23 -0.490 9.380 6.891 150 HG2 ARG 23 HG2 ARG 23 1.999 9.681 7.243 151 HG3 ARG 23 HG3 ARG 23 2.027 10.742 5.823 152 HD2 ARG 23 HD2 ARG 23 0.212 12.123 7.043 153 HD3 ARG 23 HD3 ARG 23 0.626 11.153 8.470 154 HE ARG 23 HE ARG 23 2.902 12.472 7.142 155 HH11 ARG 23 HH11 ARG 23 0.453 12.856 9.635 156 HH12 ARG 23 HH12 ARG 23 1.274 14.226 10.343 157 HH21 ARG 23 HH21 ARG 23 3.906 14.231 8.162 158 HH22 ARG 23 HH22 ARG 23 3.256 14.825 9.669 159 H GLY 24 H GLY 24 -0.857 6.704 6.474 160 HA2 GLY 24 HA2 GLY 24 1.077 5.688 8.319 161 HA3 GLY 24 HA3 GLY 24 -0.486 4.963 7.925 162 H LEU 25 H LEU 25 -0.194 4.279 5.230 163 HA LEU 25 HA LEU 25 1.677 2.068 5.362 164 HB2 LEU 25 HB2 LEU 25 0.944 1.340 3.296 165 HB3 LEU 25 HB3 LEU 25 -0.459 1.932 4.125 166 HG LEU 25 HG LEU 25 0.105 4.161 2.681 167 HD11 LEU 25 HD11 LEU 25 1.166 1.823 1.032 168 HD12 LEU 25 HD12 LEU 25 2.087 3.253 1.529 169 HD13 LEU 25 HD13 LEU 25 0.764 3.410 0.368 170 HD21 LEU 25 HD21 LEU 25 -2.027 2.977 2.658 171 HD22 LEU 25 HD22 LEU 25 -1.343 1.713 1.610 172 HD23 LEU 25 HD23 LEU 25 -1.523 3.375 1.011 173 H GLU 26 H GLU 26 1.893 5.291 3.722 174 HA GLU 26 HA GLU 26 4.406 4.882 2.479 175 HB2 GLU 26 HB2 GLU 26 3.017 6.881 2.129 176 HB3 GLU 26 HB3 GLU 26 3.280 7.377 3.802 177 HG2 GLU 26 HG2 GLU 26 5.764 7.544 3.276 178 HG3 GLU 26 HG3 GLU 26 5.371 7.196 1.591 179 H ALA 27 H ALA 27 3.745 5.888 5.893 180 HA ALA 27 HA ALA 27 6.483 6.074 6.650 181 HB1 ALA 27 HB1 ALA 27 5.531 6.013 8.953 182 HB2 ALA 27 HB2 ALA 27 4.619 7.100 7.892 183 HB3 ALA 27 HB3 ALA 27 3.970 5.499 8.292 184 H ALA 28 H ALA 28 4.354 3.221 6.501 185 HA ALA 28 HA ALA 28 6.234 1.487 7.894 186 HB1 ALA 28 HB1 ALA 28 4.700 -0.300 7.231 187 HB2 ALA 28 HB2 ALA 28 3.802 1.068 7.888 188 HB3 ALA 28 HB3 ALA 28 3.844 0.804 6.129 189 H PHE 29 H PHE 29 5.614 2.258 4.438 190 HA PHE 29 HA PHE 29 7.664 0.350 3.533 191 HB2 PHE 29 HB2 PHE 29 5.847 2.360 2.161 192 HB3 PHE 29 HB3 PHE 29 7.160 1.586 1.307 193 HD1 PHE 29 HD2 PHE 29 7.214 -0.854 0.902 194 HD2 PHE 29 HD1 PHE 29 3.755 1.088 2.549 195 HE1 PHE 29 HE2 PHE 29 5.814 -2.794 0.248 196 HE2 PHE 29 HE1 PHE 29 2.371 -0.869 1.959 197 HZ PHE 29 HZ PHE 29 3.386 -2.808 0.784 198 H SER 30 H SER 30 7.697 3.782 4.331 199 HA SER 30 HA SER 30 9.835 4.649 2.796 200 HB2 SER 30 HB2 SER 30 8.327 6.042 4.212 201 HB3 SER 30 HB3 SER 30 9.196 5.478 5.650 202 HG SER 30 HG SER 30 10.216 7.270 5.204 203 H SER 31 H SER 31 10.123 2.460 5.539 204 HA SER 31 HA SER 31 12.955 3.090 5.995 205 HB2 SER 31 HB2 SER 31 12.981 1.498 7.674 206 HB3 SER 31 HB3 SER 31 11.355 2.190 7.768 207 HG SER 31 HG SER 31 10.637 0.237 7.465 208 H PHE 32 H PHE 32 11.331 1.288 3.610 209 HA PHE 32 HA PHE 32 13.676 -0.444 3.014 210 HB2 PHE 32 HB2 PHE 32 10.895 -0.300 1.802 211 HB3 PHE 32 HB3 PHE 32 12.168 -1.383 1.273 212 HD1 PHE 32 HD1 PHE 32 9.799 -0.636 4.033 213 HD2 PHE 32 HD2 PHE 32 12.799 -3.352 2.543 214 HE1 PHE 32 HE1 PHE 32 9.092 -2.332 5.703 215 HE2 PHE 32 HE2 PHE 32 12.074 -5.050 4.207 216 HZ PHE 32 HZ PHE 32 10.231 -4.537 5.786 217 H GLY 33 H GLY 33 12.140 2.556 1.861 218 HA2 GLY 33 HA2 GLY 33 14.471 3.329 0.482 219 HA3 GLY 33 HA3 GLY 33 13.422 2.583 -0.719 220 H GLU 34 H GLU 34 13.945 4.884 -1.462 221 HA GLU 34 HA GLU 34 12.319 7.063 -0.402 222 HB2 GLU 34 HB2 GLU 34 13.876 6.725 -2.996 223 HB3 GLU 34 HB3 GLU 34 13.004 8.177 -2.531 224 HG2 GLU 34 HG2 GLU 34 15.227 8.612 -1.974 225 HG3 GLU 34 HG3 GLU 34 14.398 8.336 -0.450 226 H ILE 35 H ILE 35 10.174 7.138 -0.597 227 HA ILE 35 HA ILE 35 8.729 5.615 -2.629 228 HB ILE 35 HB ILE 35 7.899 7.360 -0.294 229 HG12 ILE 35 HG12 ILE 35 8.746 5.171 0.346 230 HG13 ILE 35 HG13 ILE 35 7.017 5.262 0.632 231 HG21 ILE 35 HG21 ILE 35 6.114 7.737 -1.848 232 HG22 ILE 35 HG22 ILE 35 6.015 6.019 -2.278 233 HG23 ILE 35 HG23 ILE 35 5.542 6.573 -0.666 234 HD11 ILE 35 HD11 ILE 35 7.428 3.115 -0.287 235 HD12 ILE 35 HD12 ILE 35 6.705 4.029 -1.621 236 HD13 ILE 35 HD13 ILE 35 8.458 3.743 -1.575 237 H LEU 36 H LEU 36 7.489 6.252 -4.250 238 HA LEU 36 HA LEU 36 7.669 9.086 -5.185 239 HB2 LEU 36 HB2 LEU 36 6.837 6.566 -6.676 240 HB3 LEU 36 HB3 LEU 36 6.905 8.190 -7.343 241 HG LEU 36 HG LEU 36 9.280 6.547 -6.387 242 HD11 LEU 36 HD11 LEU 36 9.868 6.501 -8.773 243 HD12 LEU 36 HD12 LEU 36 8.421 7.450 -9.170 244 HD13 LEU 36 HD13 LEU 36 8.261 5.804 -8.518 245 HD21 LEU 36 HD21 LEU 36 9.768 8.930 -6.015 246 HD22 LEU 36 HD22 LEU 36 9.240 9.311 -7.672 247 HD23 LEU 36 HD23 LEU 36 10.684 8.321 -7.396 248 H ASP 37 H ASP 37 5.291 6.448 -4.480 249 HA ASP 37 HA ASP 37 3.158 8.518 -4.235 250 HB2 ASP 37 HB2 ASP 37 2.985 6.093 -6.071 251 HB3 ASP 37 HB3 ASP 37 1.630 7.118 -5.626 252 H ALA 38 H ALA 38 1.424 7.979 -2.873 253 HA ALA 38 HA ALA 38 0.889 5.151 -2.384 254 HB1 ALA 38 HB1 ALA 38 0.441 5.668 0.043 255 HB2 ALA 38 HB2 ALA 38 2.157 5.720 -0.410 256 HB3 ALA 38 HB3 ALA 38 1.257 7.230 -0.193 257 H LYS 39 H LYS 39 -1.209 4.798 -2.783 258 HA LYS 39 HA LYS 39 -3.184 7.059 -2.843 259 HB2 LYS 39 HB2 LYS 39 -2.873 5.957 -5.027 260 HB3 LYS 39 HB3 LYS 39 -3.196 4.389 -4.299 261 HG2 LYS 39 HG2 LYS 39 -5.109 5.119 -5.565 262 HG3 LYS 39 HG3 LYS 39 -5.579 5.041 -3.870 263 HD2 LYS 39 HD2 LYS 39 -5.279 7.559 -3.750 264 HD3 LYS 39 HD3 LYS 39 -4.806 7.551 -5.458 265 HE2 LYS 39 HE2 LYS 39 -7.027 6.613 -6.065 266 HE3 LYS 39 HE3 LYS 39 -7.499 6.632 -4.355 267 HZ1 LYS 39 HZ1 LYS 39 -8.298 8.631 -5.537 268 HZ2 LYS 39 HZ2 LYS 39 -6.774 9.037 -5.945 269 HZ3 LYS 39 HZ3 LYS 39 -7.230 9.045 -4.359 270 H ILE 40 H ILE 40 -5.202 6.705 -1.939 271 HA ILE 40 HA ILE 40 -5.769 4.190 -0.534 272 HB ILE 40 HB ILE 40 -4.843 5.492 1.216 273 HG12 ILE 40 HG12 ILE 40 -7.128 4.238 1.457 274 HG13 ILE 40 HG13 ILE 40 -6.407 5.126 2.773 275 HG21 ILE 40 HG21 ILE 40 -6.669 7.800 0.440 276 HG22 ILE 40 HG22 ILE 40 -5.718 7.712 1.930 277 HG23 ILE 40 HG23 ILE 40 -4.898 7.758 0.374 278 HD11 ILE 40 HD11 ILE 40 -8.622 6.251 1.017 279 HD12 ILE 40 HD12 ILE 40 -8.859 5.450 2.571 280 HD13 ILE 40 HD13 ILE 40 -7.964 6.973 2.502 281 H ILE 41 H ILE 41 -7.876 3.571 -0.789 282 HA ILE 41 HA ILE 41 -9.844 5.651 -1.620 283 HB ILE 41 HB ILE 41 -9.422 4.457 -3.578 284 HG12 ILE 41 HG12 ILE 41 -11.584 3.394 -4.109 285 HG13 ILE 41 HG13 ILE 41 -12.033 3.432 -2.405 286 HG21 ILE 41 HG21 ILE 41 -9.387 2.001 -1.868 287 HG22 ILE 41 HG22 ILE 41 -9.986 1.838 -3.513 288 HG23 ILE 41 HG23 ILE 41 -8.347 2.511 -3.212 289 HD11 ILE 41 HD11 ILE 41 -13.037 5.283 -3.711 290 HD12 ILE 41 HD12 ILE 41 -11.977 5.915 -2.443 291 HD13 ILE 41 HD13 ILE 41 -11.419 5.874 -4.132 292 H ASN 42 H ASN 42 -11.166 6.072 -0.142 293 HA ASN 42 HA ASN 42 -13.084 4.060 0.797 294 HB2 ASN 42 HB2 ASN 42 -11.630 6.022 2.651 295 HB3 ASN 42 HB3 ASN 42 -13.095 5.175 3.094 296 HD21 ASN 42 HD21 ASN 42 -10.463 5.229 4.414 297 HD22 ASN 42 HD22 ASN 42 -10.057 3.537 4.557 298 H ASP 43 H ASP 43 -15.227 5.113 0.453 299 HA ASP 43 HA ASP 43 -15.038 7.949 -0.328 300 HB2 ASP 43 HB2 ASP 43 -16.687 6.362 -1.442 301 HB3 ASP 43 HB3 ASP 43 -17.682 6.578 0.008 302 H ARG 44 H ARG 44 -14.524 9.272 1.312 303 HA ARG 44 HA ARG 44 -15.881 9.196 3.894 304 HB2 ARG 44 HB2 ARG 44 -14.651 11.165 4.465 305 HB3 ARG 44 HB3 ARG 44 -13.606 9.966 3.752 306 HG2 ARG 44 HG2 ARG 44 -12.890 12.098 3.007 307 HG3 ARG 44 HG3 ARG 44 -13.522 11.227 1.627 308 HD2 ARG 44 HD2 ARG 44 -14.117 13.634 1.634 309 HD3 ARG 44 HD3 ARG 44 -15.548 12.610 1.630 310 HE ARG 44 HE ARG 44 -14.660 13.383 4.321 311 HH11 ARG 44 HH11 ARG 44 -16.644 14.637 1.675 312 HH12 ARG 44 HH12 ARG 44 -17.668 15.488 2.821 313 HH21 ARG 44 HH21 ARG 44 -15.906 14.492 5.593 314 HH22 ARG 44 HH22 ARG 44 -17.150 15.560 4.975 315 H GLU 45 H GLU 45 -16.949 10.278 0.879 316 HA GLU 45 HA GLU 45 -18.780 12.308 1.916 317 HB2 GLU 45 HB2 GLU 45 -17.749 11.932 -0.511 318 HB3 GLU 45 HB3 GLU 45 -19.164 10.917 -0.729 319 HG2 GLU 45 HG2 GLU 45 -18.979 13.896 -0.034 320 HG3 GLU 45 HG3 GLU 45 -19.568 13.207 -1.540 321 H THR 46 H THR 46 -19.190 9.015 0.523 322 HA THR 46 HA THR 46 -21.896 8.771 1.582 323 HB THR 46 HB THR 46 -20.363 6.673 0.046 324 HG1 THR 46 HG1 THR 46 -20.253 8.335 -1.220 325 HG21 THR 46 HG21 THR 46 -22.656 6.180 -0.868 326 HG22 THR 46 HG22 THR 46 -23.336 7.288 0.343 327 HG23 THR 46 HG23 THR 46 -22.495 5.801 0.843 328 H GLY 47 H GLY 47 -18.876 8.077 3.011 329 HA2 GLY 47 HA2 GLY 47 -18.532 7.293 5.153 330 HA3 GLY 47 HA3 GLY 47 -20.249 6.906 5.308 331 H ARG 48 H ARG 48 -17.928 5.710 2.875 332 HA ARG 48 HA ARG 48 -18.224 2.901 3.888 333 HB2 ARG 48 HB2 ARG 48 -18.217 2.174 1.472 334 HB3 ARG 48 HB3 ARG 48 -19.676 3.009 2.005 335 HG2 ARG 48 HG2 ARG 48 -19.055 5.049 0.929 336 HG3 ARG 48 HG3 ARG 48 -17.420 4.450 0.611 337 HD2 ARG 48 HD2 ARG 48 -18.680 4.505 -1.410 338 HD3 ARG 48 HD3 ARG 48 -18.290 2.843 -1.000 339 HE ARG 48 HE ARG 48 -20.757 2.887 0.012 340 HH11 ARG 48 HH11 ARG 48 -19.888 4.597 -3.004 341 HH12 ARG 48 HH12 ARG 48 -21.510 4.333 -3.609 342 HH21 ARG 48 HH21 ARG 48 -22.704 2.527 -1.049 343 HH22 ARG 48 HH22 ARG 48 -22.970 3.318 -2.588 344 H SER 49 H SER 49 -16.512 1.424 3.007 345 HA SER 49 HA SER 49 -13.958 2.784 2.390 346 HB2 SER 49 HB2 SER 49 -12.803 1.322 4.099 347 HB3 SER 49 HB3 SER 49 -13.790 2.638 4.745 348 HG SER 49 HG SER 49 -13.880 0.139 5.370 349 H ARG 50 H ARG 50 -12.783 1.831 0.836 350 HA ARG 50 HA ARG 50 -13.266 -1.015 0.116 351 HB2 ARG 50 HB2 ARG 50 -11.334 1.052 -1.014 352 HB3 ARG 50 HB3 ARG 50 -11.493 -0.580 -1.590 353 HG2 ARG 50 HG2 ARG 50 -13.775 1.435 -1.699 354 HG3 ARG 50 HG3 ARG 50 -12.575 1.221 -2.968 355 HD2 ARG 50 HD2 ARG 50 -14.500 0.009 -3.628 356 HD3 ARG 50 HD3 ARG 50 -13.199 -1.120 -3.239 357 HE ARG 50 HE ARG 50 -15.421 -0.436 -1.317 358 HH11 ARG 50 HH11 ARG 50 -13.835 -3.025 -3.098 359 HH12 ARG 50 HH12 ARG 50 -14.312 -4.235 -1.934 360 HH21 ARG 50 HH21 ARG 50 -16.005 -2.029 0.123 361 HH22 ARG 50 HH22 ARG 50 -15.432 -3.659 -0.120 362 H GLY 51 H GLY 51 -10.983 0.971 1.883 363 HA2 GLY 51 HA2 GLY 51 -9.411 0.405 3.405 364 HA3 GLY 51 HA3 GLY 51 -10.088 -1.201 3.516 365 H PHE 52 H PHE 52 -8.600 0.377 0.692 366 HA PHE 52 HA PHE 52 -6.057 -0.959 1.029 367 HB2 PHE 52 HB2 PHE 52 -6.072 -2.096 -1.167 368 HB3 PHE 52 HB3 PHE 52 -7.178 -2.786 -0.016 369 HD1 PHE 52 HD2 PHE 52 -7.186 -0.305 -2.891 370 HD2 PHE 52 HD1 PHE 52 -9.296 -3.388 -0.724 371 HE1 PHE 52 HE2 PHE 52 -8.994 -0.262 -4.580 372 HE2 PHE 52 HE1 PHE 52 -11.078 -3.373 -2.443 373 HZ PHE 52 HZ PHE 52 -10.946 -1.785 -4.354 374 H GLY 53 H GLY 53 -4.646 -0.480 -0.932 375 HA2 GLY 53 HA2 GLY 53 -5.213 1.928 -2.502 376 HA3 GLY 53 HA3 GLY 53 -4.000 2.115 -1.223 377 H PHE 54 H PHE 54 -2.846 2.632 -3.389 378 HA PHE 54 HA PHE 54 -1.166 0.243 -3.833 379 HB2 PHE 54 HB2 PHE 54 -0.523 0.838 -6.023 380 HB3 PHE 54 HB3 PHE 54 -2.263 0.699 -5.966 381 HD1 PHE 54 HD1 PHE 54 0.571 3.148 -6.096 382 HD2 PHE 54 HD2 PHE 54 -3.661 2.523 -6.669 383 HE1 PHE 54 HE1 PHE 54 0.399 5.342 -7.255 384 HE2 PHE 54 HE2 PHE 54 -3.819 4.702 -7.846 385 HZ PHE 54 HZ PHE 54 -1.790 6.116 -8.134 386 H VAL 55 H VAL 55 1.108 0.650 -4.067 387 HA VAL 55 HA VAL 55 2.073 3.335 -3.222 388 HB VAL 55 HB VAL 55 2.002 1.738 -1.258 389 HG11 VAL 55 HG11 VAL 55 3.671 0.008 -1.050 390 HG12 VAL 55 HG12 VAL 55 2.669 -0.317 -2.471 391 HG13 VAL 55 HG13 VAL 55 4.306 0.340 -2.672 392 HG21 VAL 55 HG21 VAL 55 4.770 2.736 -2.048 393 HG22 VAL 55 HG22 VAL 55 3.495 3.698 -1.266 394 HG23 VAL 55 HG23 VAL 55 4.215 2.328 -0.411 395 H SER 56 H SER 56 4.075 3.961 -4.208 396 HA SER 56 HA SER 56 5.268 2.019 -6.154 397 HB2 SER 56 HB2 SER 56 3.665 3.599 -7.312 398 HB3 SER 56 HB3 SER 56 4.785 4.907 -6.895 399 HG SER 56 HG SER 56 5.121 3.919 -9.008 400 H PHE 57 H PHE 57 7.396 2.017 -6.382 401 HA PHE 57 HA PHE 57 8.982 3.655 -4.454 402 HB2 PHE 57 HB2 PHE 57 9.197 0.863 -5.561 403 HB3 PHE 57 HB3 PHE 57 10.654 1.692 -5.100 404 HD1 PHE 57 HD2 PHE 57 7.222 1.116 -3.585 405 HD2 PHE 57 HD1 PHE 57 11.483 1.303 -3.006 406 HE1 PHE 57 HE2 PHE 57 6.929 0.515 -1.202 407 HE2 PHE 57 HE1 PHE 57 11.190 0.709 -0.619 408 HZ PHE 57 HZ PHE 57 8.934 0.331 0.294 409 H SER 58 H SER 58 11.106 4.295 -4.987 410 HA SER 58 HA SER 58 11.525 5.346 -7.701 411 HB2 SER 58 HB2 SER 58 13.439 5.301 -5.336 412 HB3 SER 58 HB3 SER 58 13.571 6.256 -6.805 413 HG SER 58 HG SER 58 11.665 6.495 -4.719 414 H ASN 59 H ASN 59 12.579 2.522 -5.814 415 HA ASN 59 HA ASN 59 14.152 1.599 -8.163 416 HB2 ASN 59 HB2 ASN 59 15.107 1.593 -5.279 417 HB3 ASN 59 HB3 ASN 59 15.917 0.790 -6.618 418 HD21 ASN 59 HD21 ASN 59 15.812 3.739 -4.886 419 HD22 ASN 59 HD22 ASN 59 16.866 4.586 -6.032 420 H GLU 60 H GLU 60 14.511 -0.538 -8.405 421 HA GLU 60 HA GLU 60 12.142 -2.070 -8.081 422 HB2 GLU 60 HB2 GLU 60 13.692 -2.071 -10.035 423 HB3 GLU 60 HB3 GLU 60 14.894 -2.926 -9.066 424 HG2 GLU 60 HG2 GLU 60 13.248 -4.821 -8.798 425 HG3 GLU 60 HG3 GLU 60 12.150 -3.967 -9.887 426 H GLN 61 H GLN 61 15.406 -2.696 -6.641 427 HA GLN 61 HA GLN 61 14.543 -5.192 -5.474 428 HB2 GLN 61 HB2 GLN 61 16.954 -3.494 -4.725 429 HB3 GLN 61 HB3 GLN 61 16.670 -5.181 -4.301 430 HG2 GLN 61 HG2 GLN 61 16.772 -5.817 -6.693 431 HG3 GLN 61 HG3 GLN 61 17.071 -4.129 -7.132 432 HE21 GLN 61 HE21 GLN 61 19.023 -5.370 -8.101 433 HE22 GLN 61 HE22 GLN 61 20.442 -5.481 -7.031 434 H ALA 62 H ALA 62 14.546 -1.883 -4.306 435 HA ALA 62 HA ALA 62 14.050 -2.331 -1.533 436 HB1 ALA 62 HB1 ALA 62 14.780 -0.184 -2.467 437 HB2 ALA 62 HB2 ALA 62 13.288 -0.054 -3.423 438 HB3 ALA 62 HB3 ALA 62 13.225 0.019 -1.649 439 H MET 63 H MET 63 11.731 -1.809 -4.268 440 HA MET 63 HA MET 63 9.336 -2.095 -2.789 441 HB2 MET 63 HB2 MET 63 9.497 -1.301 -5.140 442 HB3 MET 63 HB3 MET 63 9.980 -2.907 -5.652 443 HG2 MET 63 HG2 MET 63 7.779 -2.795 -6.268 444 HG3 MET 63 HG3 MET 63 7.698 -3.740 -4.802 445 HE1 MET 63 HE1 MET 63 7.301 -2.064 -2.310 446 HE2 MET 63 HE2 MET 63 5.601 -1.579 -2.411 447 HE3 MET 63 HE3 MET 63 6.079 -3.212 -2.898 448 H GLN 64 H GLN 64 11.406 -4.570 -4.297 449 HA GLN 64 HA GLN 64 9.645 -6.804 -3.756 450 HB2 GLN 64 HB2 GLN 64 12.609 -6.656 -4.430 451 HB3 GLN 64 HB3 GLN 64 11.678 -8.160 -4.264 452 HG2 GLN 64 HG2 GLN 64 10.199 -7.493 -6.106 453 HG3 GLN 64 HG3 GLN 64 11.011 -5.940 -6.263 454 HE21 GLN 64 HE21 GLN 64 10.712 -7.780 -8.426 455 HE22 GLN 64 HE22 GLN 64 12.334 -8.366 -8.823 456 H ASP 65 H ASP 65 12.545 -5.504 -2.051 457 HA ASP 65 HA ASP 65 12.540 -7.529 -0.005 458 HB2 ASP 65 HB2 ASP 65 14.471 -6.058 -0.643 459 HB3 ASP 65 HB3 ASP 65 13.656 -4.698 0.138 460 H ALA 66 H ALA 66 10.754 -4.451 -0.364 461 HA ALA 66 HA ALA 66 9.694 -4.430 2.303 462 HB1 ALA 66 HB1 ALA 66 8.587 -3.213 -0.263 463 HB2 ALA 66 HB2 ALA 66 8.229 -2.772 1.419 464 HB3 ALA 66 HB3 ALA 66 9.838 -2.475 0.759 465 H ILE 67 H ILE 67 8.176 -5.495 -0.806 466 HA ILE 67 HA ILE 67 5.865 -6.721 0.213 467 HB ILE 67 HB ILE 67 7.617 -7.458 -2.153 468 HG12 ILE 67 HG12 ILE 67 4.886 -6.087 -2.059 469 HG13 ILE 67 HG13 ILE 67 6.402 -5.208 -2.052 470 HG21 ILE 67 HG21 ILE 67 5.716 -8.783 -3.045 471 HG22 ILE 67 HG22 ILE 67 6.321 -9.487 -1.557 472 HG23 ILE 67 HG23 ILE 67 4.824 -8.531 -1.533 473 HD11 ILE 67 HD11 ILE 67 7.007 -6.291 -4.249 474 HD12 ILE 67 HD12 ILE 67 5.358 -6.962 -4.304 475 HD13 ILE 67 HD13 ILE 67 5.602 -5.212 -4.304 476 H GLU 68 H GLU 68 9.098 -8.256 -0.177 477 HA GLU 68 HA GLU 68 8.511 -10.765 0.976 478 HB2 GLU 68 HB2 GLU 68 10.503 -9.984 -0.372 479 HB3 GLU 68 HB3 GLU 68 11.099 -9.168 1.064 480 HG2 GLU 68 HG2 GLU 68 12.313 -11.179 0.816 481 HG3 GLU 68 HG3 GLU 68 11.248 -11.420 2.191 482 H GLY 69 H GLY 69 8.742 -7.715 2.678 483 HA2 GLY 69 HA2 GLY 69 8.843 -9.083 5.350 484 HA3 GLY 69 HA3 GLY 69 9.327 -7.423 5.024 485 H MET 70 H MET 70 6.525 -7.834 3.263 486 HA MET 70 HA MET 70 5.007 -6.312 5.319 487 HB2 MET 70 HB2 MET 70 5.008 -6.538 2.322 488 HB3 MET 70 HB3 MET 70 3.555 -5.933 3.121 489 HG2 MET 70 HG2 MET 70 6.330 -4.816 3.705 490 HG3 MET 70 HG3 MET 70 5.377 -4.239 2.349 491 HE1 MET 70 HE1 MET 70 5.368 -1.452 5.233 492 HE2 MET 70 HE2 MET 70 6.622 -2.705 5.113 493 HE3 MET 70 HE3 MET 70 6.021 -1.902 3.647 494 H ASN 71 H ASN 71 4.604 -9.307 3.450 495 HA ASN 71 HA ASN 71 1.808 -9.566 3.546 496 HB2 ASN 71 HB2 ASN 71 3.262 -11.002 2.201 497 HB3 ASN 71 HB3 ASN 71 3.999 -11.672 3.656 498 HD21 ASN 71 HD21 ASN 71 3.343 -13.757 2.523 499 HD22 ASN 71 HD22 ASN 71 1.734 -14.340 2.941 500 H GLY 72 H GLY 72 0.513 -9.358 5.245 501 HA2 GLY 72 HA2 GLY 72 -0.616 -10.167 7.105 502 HA3 GLY 72 HA3 GLY 72 0.694 -11.298 7.426 503 H LYS 73 H LYS 73 2.006 -8.115 7.244 504 HA LYS 73 HA LYS 73 2.512 -7.901 10.085 505 HB2 LYS 73 HB2 LYS 73 2.588 -5.921 7.783 506 HB3 LYS 73 HB3 LYS 73 2.991 -5.412 9.416 507 HG2 LYS 73 HG2 LYS 73 4.419 -7.680 7.928 508 HG3 LYS 73 HG3 LYS 73 4.939 -5.994 7.898 509 HD2 LYS 73 HD2 LYS 73 5.203 -6.009 10.358 510 HD3 LYS 73 HD3 LYS 73 4.761 -7.715 10.410 511 HE2 LYS 73 HE2 LYS 73 7.141 -6.595 8.863 512 HE3 LYS 73 HE3 LYS 73 7.239 -7.221 10.509 513 HZ1 LYS 73 HZ1 LYS 73 6.392 -8.819 8.149 514 HZ2 LYS 73 HZ2 LYS 73 6.478 -9.369 9.690 515 HZ3 LYS 73 HZ3 LYS 73 7.843 -8.928 8.901 516 H GLU 74 H GLU 74 1.512 -6.701 11.728 517 HA GLU 74 HA GLU 74 -1.250 -5.765 11.145 518 HB2 GLU 74 HB2 GLU 74 -1.582 -5.436 13.497 519 HB3 GLU 74 HB3 GLU 74 -1.266 -7.106 13.056 520 HG2 GLU 74 HG2 GLU 74 0.853 -7.128 14.096 521 HG3 GLU 74 HG3 GLU 74 0.961 -5.366 14.149 522 H LEU 75 H LEU 75 -1.793 -3.787 10.791 523 HA LEU 75 HA LEU 75 -0.162 -1.498 11.709 524 HB2 LEU 75 HB2 LEU 75 0.109 -2.478 9.128 525 HB3 LEU 75 HB3 LEU 75 -1.184 -1.318 8.914 526 HG LEU 75 HG LEU 75 0.545 0.202 10.400 527 HD11 LEU 75 HD11 LEU 75 2.387 -1.455 8.627 528 HD12 LEU 75 HD12 LEU 75 2.194 -1.792 10.347 529 HD13 LEU 75 HD13 LEU 75 2.827 -0.217 9.823 530 HD21 LEU 75 HD21 LEU 75 0.731 -0.169 7.387 531 HD22 LEU 75 HD22 LEU 75 1.321 1.224 8.320 532 HD23 LEU 75 HD23 LEU 75 -0.414 0.879 8.252 533 H ASP 76 H ASP 76 -1.446 0.228 12.268 534 HA ASP 76 HA ASP 76 -3.331 1.227 13.065 535 HB2 ASP 76 HB2 ASP 76 -3.322 1.723 10.570 536 HB3 ASP 76 HB3 ASP 76 -4.631 0.557 10.394 537 H GLY 77 H GLY 77 -3.184 -1.758 13.510 538 HA2 GLY 77 HA2 GLY 77 -4.462 -3.164 14.898 539 HA3 GLY 77 HA3 GLY 77 -5.897 -2.175 14.620 540 H ARG 78 H ARG 78 -4.405 -2.932 11.652 541 HA ARG 78 HA ARG 78 -6.289 -5.176 11.042 542 HB2 ARG 78 HB2 ARG 78 -5.361 -2.872 9.265 543 HB3 ARG 78 HB3 ARG 78 -6.490 -4.144 8.816 544 HG2 ARG 78 HG2 ARG 78 -6.991 -1.963 10.900 545 HG3 ARG 78 HG3 ARG 78 -7.624 -2.030 9.268 546 HD2 ARG 78 HD2 ARG 78 -8.599 -4.371 9.987 547 HD3 ARG 78 HD3 ARG 78 -8.296 -3.769 11.634 548 HE ARG 78 HE ARG 78 -9.803 -1.958 9.871 549 HH11 ARG 78 HH11 ARG 78 -10.177 -4.527 12.273 550 HH12 ARG 78 HH12 ARG 78 -11.830 -4.055 12.600 551 HH21 ARG 78 HH21 ARG 78 -11.872 -1.553 10.215 552 HH22 ARG 78 HH22 ARG 78 -12.787 -2.386 11.448 553 H SER 79 H SER 79 -5.587 -6.431 9.132 554 HA SER 79 HA SER 79 -2.672 -7.011 9.316 555 HB2 SER 79 HB2 SER 79 -3.227 -9.213 8.434 556 HB3 SER 79 HB3 SER 79 -4.104 -8.839 9.924 557 HG SER 79 HG SER 79 -5.924 -8.233 8.549 558 H ILE 80 H ILE 80 -1.296 -6.800 7.673 559 HA ILE 80 HA ILE 80 -2.192 -5.496 5.267 560 HB ILE 80 HB ILE 80 0.519 -6.229 6.345 561 HG12 ILE 80 HG12 ILE 80 -0.967 -3.628 5.736 562 HG13 ILE 80 HG13 ILE 80 -0.671 -4.311 7.333 563 HG21 ILE 80 HG21 ILE 80 1.577 -5.099 4.435 564 HG22 ILE 80 HG22 ILE 80 0.720 -6.517 3.905 565 HG23 ILE 80 HG23 ILE 80 -0.005 -4.905 3.643 566 HD11 ILE 80 HD11 ILE 80 0.825 -2.459 6.954 567 HD12 ILE 80 HD12 ILE 80 1.791 -3.944 6.988 568 HD13 ILE 80 HD13 ILE 80 1.413 -3.133 5.445 569 H VAL 81 H VAL 81 -2.294 -6.096 3.230 570 HA VAL 81 HA VAL 81 -1.321 -8.792 2.388 571 HB VAL 81 HB VAL 81 -3.861 -7.397 1.469 572 HG11 VAL 81 HG11 VAL 81 -4.166 -9.310 -0.070 573 HG12 VAL 81 HG12 VAL 81 -2.754 -8.364 -0.518 574 HG13 VAL 81 HG13 VAL 81 -2.547 -9.911 0.342 575 HG21 VAL 81 HG21 VAL 81 -4.079 -8.726 3.542 576 HG22 VAL 81 HG22 VAL 81 -4.924 -9.516 2.208 577 HG23 VAL 81 HG23 VAL 81 -3.336 -10.125 2.738 578 H VAL 82 H VAL 82 0.093 -8.741 0.761 579 HA VAL 82 HA VAL 82 0.425 -6.232 -0.820 580 HB VAL 82 HB VAL 82 2.841 -6.671 -0.911 581 HG11 VAL 82 HG11 VAL 82 1.606 -4.909 0.419 582 HG12 VAL 82 HG12 VAL 82 1.712 -5.999 1.819 583 HG13 VAL 82 HG13 VAL 82 3.191 -5.357 1.030 584 HG21 VAL 82 HG21 VAL 82 2.860 -9.004 0.028 585 HG22 VAL 82 HG22 VAL 82 3.900 -7.889 0.908 586 HG23 VAL 82 HG23 VAL 82 2.326 -8.347 1.584 587 H ASN 83 H ASN 83 0.646 -6.433 -2.997 588 HA ASN 83 HA ASN 83 2.139 -8.596 -4.132 589 HB2 ASN 83 HB2 ASN 83 0.465 -9.357 -5.811 590 HB3 ASN 83 HB3 ASN 83 0.047 -9.825 -4.176 591 HD21 ASN 83 HD21 ASN 83 -0.787 -7.445 -6.779 592 HD22 ASN 83 HD22 ASN 83 -2.453 -7.339 -6.190 593 H GLU 84 H GLU 84 2.752 -8.201 -6.367 594 HA GLU 84 HA GLU 84 3.083 -5.461 -7.066 595 HB2 GLU 84 HB2 GLU 84 3.903 -6.311 -9.227 596 HB3 GLU 84 HB3 GLU 84 4.613 -7.080 -7.826 597 HG2 GLU 84 HG2 GLU 84 4.260 -8.999 -8.912 598 HG3 GLU 84 HG3 GLU 84 2.612 -8.886 -8.331 599 H ALA 85 H ALA 85 2.235 -4.198 -8.763 600 HA ALA 85 HA ALA 85 -0.681 -4.463 -8.739 601 HB1 ALA 85 HB1 ALA 85 0.379 -2.492 -7.799 602 HB2 ALA 85 HB2 ALA 85 1.149 -2.126 -9.357 603 HB3 ALA 85 HB3 ALA 85 -0.618 -2.042 -9.191 604 H GLN 86 H GLN 86 1.484 -5.392 -11.158 605 HA GLN 86 HA GLN 86 -0.190 -4.330 -13.353 606 HB2 GLN 86 HB2 GLN 86 2.271 -4.368 -13.609 607 HB3 GLN 86 HB3 GLN 86 2.197 -6.138 -13.684 608 HG2 GLN 86 HG2 GLN 86 0.691 -5.989 -15.666 609 HG3 GLN 86 HG3 GLN 86 0.622 -4.235 -15.507 610 HE21 GLN 86 HE21 GLN 86 1.936 -3.156 -17.012 611 HE22 GLN 86 HE22 GLN 86 3.445 -3.828 -17.597 612 H SER 87 H SER 87 0.456 -7.402 -11.659 613 HA SER 87 HA SER 87 -1.222 -9.160 -13.156 614 HB2 SER 87 HB2 SER 87 -1.271 -10.498 -11.061 615 HB3 SER 87 HB3 SER 87 0.361 -10.011 -11.527 616 HG SER 87 HG SER 87 0.376 -8.447 -9.975 617 H ARG 88 H ARG 88 -1.979 -6.948 -10.500 618 HA ARG 88 HA ARG 88 -4.900 -7.352 -10.863 619 HB2 ARG 88 HB2 ARG 88 -3.844 -7.228 -8.585 620 HB3 ARG 88 HB3 ARG 88 -3.484 -5.530 -8.876 621 HG2 ARG 88 HG2 ARG 88 -6.315 -6.240 -9.405 622 HG3 ARG 88 HG3 ARG 88 -5.835 -6.638 -7.769 623 HD2 ARG 88 HD2 ARG 88 -5.270 -4.397 -7.231 624 HD3 ARG 88 HD3 ARG 88 -5.281 -3.872 -8.908 625 HE ARG 88 HE ARG 88 -7.542 -3.980 -7.133 626 HH11 ARG 88 HH11 ARG 88 -6.852 -4.299 -10.586 627 HH12 ARG 88 HH12 ARG 88 -8.482 -3.820 -10.990 628 HH21 ARG 88 HH21 ARG 88 -9.493 -3.433 -7.742 629 HH22 ARG 88 HH22 ARG 88 -9.965 -3.484 -9.455 630 H GLY 89 H GLY 89 -3.039 -6.085 -12.935 631 HA2 GLY 89 HA2 GLY 89 -3.956 -3.290 -13.099 632 HA3 GLY 89 HA3 GLY 89 -2.819 -4.105 -14.171 633 H TYR 90 H TYR 90 -4.472 -2.591 -15.412 634 HA TYR 90 HA TYR 90 -5.948 -2.402 -17.096 635 HB2 TYR 90 HB2 TYR 90 -5.990 -5.400 -17.381 636 HB3 TYR 90 HB3 TYR 90 -6.213 -4.186 -18.627 637 HD1 TYR 90 HD2 TYR 90 -4.030 -2.400 -18.634 638 HD2 TYR 90 HD1 TYR 90 -4.000 -6.591 -17.597 639 HE1 TYR 90 HE2 TYR 90 -1.592 -2.518 -19.141 640 HE2 TYR 90 HE1 TYR 90 -1.573 -6.704 -18.128 641 HH TYR 90 HH TYR 90 0.249 -5.580 -18.937 642 H GLY 91 H GLY 91 -8.150 -3.091 -18.069 643 HA2 GLY 91 HA2 GLY 91 -10.181 -4.438 -16.798 644 HA3 GLY 91 HA3 GLY 91 -10.123 -2.901 -15.933 645 H GLY 92 H GLY 92 -12.323 -2.713 -16.742 646 HA2 GLY 92 HA2 GLY 92 -13.826 -1.450 -17.953 647 HA3 GLY 92 HA3 GLY 92 -12.517 -0.861 -18.963 Start of MODEL 12 1 H1 MET 1 H1 MET 1 15.378 -4.453 -12.990 2 H2 MET 1 H2 MET 1 14.263 -5.396 -12.235 3 H3 MET 1 H3 MET 1 13.783 -4.315 -13.364 4 HA MET 1 HA MET 1 15.614 -6.496 -14.041 5 HB2 MET 1 HB2 MET 1 12.601 -6.549 -14.358 6 HB3 MET 1 HB3 MET 1 13.763 -7.781 -14.905 7 HG2 MET 1 HG2 MET 1 14.461 -8.197 -12.590 8 HG3 MET 1 HG3 MET 1 13.244 -7.067 -12.011 9 HE1 MET 1 HE1 MET 1 10.709 -7.829 -14.031 10 HE2 MET 1 HE2 MET 1 9.872 -8.889 -12.885 11 HE3 MET 1 HE3 MET 1 10.627 -7.384 -12.310 12 H ALA 2 H ALA 2 13.609 -6.568 -16.542 13 HA ALA 2 HA ALA 2 14.732 -4.181 -17.927 14 HB1 ALA 2 HB1 ALA 2 13.974 -5.274 -19.962 15 HB2 ALA 2 HB2 ALA 2 15.031 -6.365 -19.046 16 HB3 ALA 2 HB3 ALA 2 13.273 -6.612 -19.034 17 H GLU 3 H GLU 3 13.547 -2.539 -17.130 18 HA GLU 3 HA GLU 3 10.637 -2.744 -16.697 19 HB2 GLU 3 HB2 GLU 3 12.716 -0.654 -16.070 20 HB3 GLU 3 HB3 GLU 3 11.004 -0.229 -16.125 21 HG2 GLU 3 HG2 GLU 3 11.557 -0.748 -13.860 22 HG3 GLU 3 HG3 GLU 3 10.445 -1.963 -14.483 23 H SER 4 H SER 4 10.158 -3.309 -18.807 24 HA SER 4 HA SER 4 9.832 -1.749 -21.085 25 HB2 SER 4 HB2 SER 4 7.925 -3.606 -19.596 26 HB3 SER 4 HB3 SER 4 7.738 -3.145 -21.285 27 HG SER 4 HG SER 4 8.863 -5.180 -20.987 28 H ASP 5 H ASP 5 7.787 -0.524 -21.797 29 HA ASP 5 HA ASP 5 7.734 1.848 -20.335 30 HB2 ASP 5 HB2 ASP 5 7.263 1.593 -22.757 31 HB3 ASP 5 HB3 ASP 5 5.679 0.925 -22.375 32 H GLY 6 H GLY 6 5.395 -0.793 -19.980 33 HA2 GLY 6 HA2 GLY 6 3.754 0.762 -18.076 34 HA3 GLY 6 HA3 GLY 6 3.429 -0.866 -18.668 35 H ALA 7 H ALA 7 6.545 -1.189 -17.771 36 HA ALA 7 HA ALA 7 5.748 -2.397 -15.205 37 HB1 ALA 7 HB1 ALA 7 8.246 -2.708 -16.901 38 HB2 ALA 7 HB2 ALA 7 7.874 -3.618 -15.423 39 HB3 ALA 7 HB3 ALA 7 6.845 -3.802 -16.861 40 H GLU 8 H GLU 8 6.027 -1.338 -13.367 41 HA GLU 8 HA GLU 8 8.478 0.232 -12.882 42 HB2 GLU 8 HB2 GLU 8 7.334 2.186 -12.162 43 HB3 GLU 8 HB3 GLU 8 6.771 1.761 -13.777 44 HG2 GLU 8 HG2 GLU 8 4.777 0.602 -12.548 45 HG3 GLU 8 HG3 GLU 8 5.299 1.551 -11.149 46 H TYR 9 H TYR 9 8.650 0.897 -10.518 47 HA TYR 9 HA TYR 9 8.240 -1.565 -8.962 48 HB2 TYR 9 HB2 TYR 9 9.528 0.997 -8.013 49 HB3 TYR 9 HB3 TYR 9 9.773 -0.635 -7.405 50 HD1 TYR 9 HD1 TYR 9 10.340 -2.217 -9.849 51 HD2 TYR 9 HD2 TYR 9 11.544 1.800 -8.803 52 HE1 TYR 9 HE1 TYR 9 12.236 -2.373 -11.424 53 HE2 TYR 9 HE2 TYR 9 13.458 1.633 -10.384 54 HH TYR 9 HH TYR 9 13.910 -1.259 -12.475 55 H ARG 10 H ARG 10 5.864 -1.456 -8.918 56 HA ARG 10 HA ARG 10 5.002 -0.076 -6.451 57 HB2 ARG 10 HB2 ARG 10 3.026 0.915 -7.383 58 HB3 ARG 10 HB3 ARG 10 4.450 1.511 -8.230 59 HG2 ARG 10 HG2 ARG 10 3.971 -0.065 -10.120 60 HG3 ARG 10 HG3 ARG 10 2.531 -0.620 -9.265 61 HD2 ARG 10 HD2 ARG 10 1.696 1.742 -9.210 62 HD3 ARG 10 HD3 ARG 10 3.069 2.225 -10.211 63 HE ARG 10 HE ARG 10 2.192 0.620 -11.962 64 HH11 ARG 10 HH11 ARG 10 -0.214 1.987 -9.696 65 HH12 ARG 10 HH12 ARG 10 -1.477 1.485 -10.811 66 HH21 ARG 10 HH21 ARG 10 0.528 0.257 -13.222 67 HH22 ARG 10 HH22 ARG 10 -1.117 0.647 -12.664 68 H CYS 11 H CYS 11 3.049 -0.769 -5.512 69 HA CYS 11 HA CYS 11 2.127 -3.495 -6.236 70 HB2 CYS 11 HB2 CYS 11 2.819 -4.467 -4.165 71 HB3 CYS 11 HB3 CYS 11 4.210 -3.607 -4.808 72 HG CYS 11 HG CYS 11 3.534 -1.296 -3.443 73 H PHE 12 H PHE 12 0.272 -4.231 -5.077 74 HA PHE 12 HA PHE 12 -1.620 -2.093 -4.216 75 HB2 PHE 12 HB2 PHE 12 -2.261 -3.425 -6.188 76 HB3 PHE 12 HB3 PHE 12 -2.032 -4.907 -5.280 77 HD1 PHE 12 HD1 PHE 12 -3.955 -1.669 -4.880 78 HD2 PHE 12 HD2 PHE 12 -4.014 -5.974 -4.639 79 HE1 PHE 12 HE1 PHE 12 -6.356 -1.605 -4.279 80 HE2 PHE 12 HE2 PHE 12 -6.422 -5.903 -4.040 81 HZ PHE 12 HZ PHE 12 -7.597 -3.717 -3.843 82 H VAL 13 H VAL 13 -2.633 -2.227 -2.231 83 HA VAL 13 HA VAL 13 -1.820 -4.366 -0.324 84 HB VAL 13 HB VAL 13 -1.591 -2.523 1.412 85 HG11 VAL 13 HG11 VAL 13 0.757 -2.019 0.857 86 HG12 VAL 13 HG12 VAL 13 0.334 -3.738 0.686 87 HG13 VAL 13 HG13 VAL 13 0.517 -2.711 -0.762 88 HG21 VAL 13 HG21 VAL 13 -2.492 -0.604 0.111 89 HG22 VAL 13 HG22 VAL 13 -0.857 -0.321 0.713 90 HG23 VAL 13 HG23 VAL 13 -1.101 -0.721 -0.993 91 H GLY 14 H GLY 14 -3.328 -4.979 1.113 92 HA2 GLY 14 HA2 GLY 14 -5.806 -3.298 1.465 93 HA3 GLY 14 HA3 GLY 14 -5.822 -5.061 1.510 94 H SER 15 H SER 15 -6.053 -2.533 3.494 95 HA SER 15 HA SER 15 -5.373 -3.888 5.932 96 HB2 SER 15 HB2 SER 15 -3.584 -2.200 6.705 97 HB3 SER 15 HB3 SER 15 -3.064 -3.449 5.569 98 HG SER 15 HG SER 15 -2.315 -1.388 4.976 99 H LEU 16 H LEU 16 -6.064 -0.860 4.284 100 HA LEU 16 HA LEU 16 -6.177 0.847 6.514 101 HB2 LEU 16 HB2 LEU 16 -7.675 1.238 3.912 102 HB3 LEU 16 HB3 LEU 16 -7.143 2.508 4.965 103 HG LEU 16 HG LEU 16 -5.349 0.701 3.278 104 HD11 LEU 16 HD11 LEU 16 -6.364 3.551 3.043 105 HD12 LEU 16 HD12 LEU 16 -6.740 2.200 1.983 106 HD13 LEU 16 HD13 LEU 16 -5.089 2.850 1.994 107 HD21 LEU 16 HD21 LEU 16 -3.622 2.331 3.832 108 HD22 LEU 16 HD22 LEU 16 -4.189 1.538 5.307 109 HD23 LEU 16 HD23 LEU 16 -4.720 3.203 4.898 110 H SER 17 H SER 17 -7.868 2.009 7.404 111 HA SER 17 HA SER 17 -10.609 0.793 7.450 112 HB2 SER 17 HB2 SER 17 -10.781 1.231 9.777 113 HB3 SER 17 HB3 SER 17 -9.212 0.432 9.574 114 HG SER 17 HG SER 17 -8.433 2.150 10.510 115 H TRP 18 H TRP 18 -12.237 2.572 8.299 116 HA TRP 18 HA TRP 18 -12.233 4.898 6.780 117 HB2 TRP 18 HB2 TRP 18 -14.026 5.600 8.013 118 HB3 TRP 18 HB3 TRP 18 -14.075 3.876 8.314 119 HD1 TRP 18 HD1 TRP 18 -13.817 7.214 9.964 120 HE1 TRP 18 HE1 TRP 18 -13.579 7.039 12.516 121 HE3 TRP 18 HE3 TRP 18 -13.060 2.151 10.374 122 HZ2 TRP 18 HZ2 TRP 18 -13.149 4.988 14.470 123 HZ3 TRP 18 HZ3 TRP 18 -12.732 1.125 12.602 124 HH2 TRP 18 HH2 TRP 18 -12.779 2.519 14.657 125 H ASN 19 H ASN 19 -10.309 4.380 9.681 126 HA ASN 19 HA ASN 19 -9.600 7.271 9.778 127 HB2 ASN 19 HB2 ASN 19 -8.899 6.945 12.027 128 HB3 ASN 19 HB3 ASN 19 -10.536 6.344 11.835 129 HD21 ASN 19 HD21 ASN 19 -10.942 4.248 12.592 130 HD22 ASN 19 HD22 ASN 19 -9.663 3.153 13.068 131 H THR 20 H THR 20 -8.225 4.378 8.536 132 HA THR 20 HA THR 20 -5.461 5.429 8.711 133 HB THR 20 HB THR 20 -6.166 3.302 6.728 134 HG1 THR 20 HG1 THR 20 -5.616 2.487 9.336 135 HG21 THR 20 HG21 THR 20 -3.863 3.794 8.664 136 HG22 THR 20 HG22 THR 20 -3.828 3.997 6.911 137 HG23 THR 20 HG23 THR 20 -3.985 2.375 7.605 138 H ASP 21 H ASP 21 -4.269 6.270 6.880 139 HA ASP 21 HA ASP 21 -5.636 6.250 4.367 140 HB2 ASP 21 HB2 ASP 21 -5.519 8.616 3.832 141 HB3 ASP 21 HB3 ASP 21 -6.385 8.458 5.342 142 H ASP 22 H ASP 22 -3.838 7.931 2.837 143 HA ASP 22 HA ASP 22 -1.938 5.949 2.222 144 HB2 ASP 22 HB2 ASP 22 -0.829 7.599 0.810 145 HB3 ASP 22 HB3 ASP 22 -2.538 7.662 0.527 146 H ARG 23 H ARG 23 -1.675 8.669 4.473 147 HA ARG 23 HA ARG 23 1.124 8.920 4.725 148 HB2 ARG 23 HB2 ARG 23 -0.699 10.419 5.663 149 HB3 ARG 23 HB3 ARG 23 -0.971 9.210 6.913 150 HG2 ARG 23 HG2 ARG 23 1.474 9.487 7.586 151 HG3 ARG 23 HG3 ARG 23 1.547 10.863 6.467 152 HD2 ARG 23 HD2 ARG 23 -0.204 12.017 7.715 153 HD3 ARG 23 HD3 ARG 23 -0.464 10.611 8.748 154 HE ARG 23 HE ARG 23 1.614 12.626 9.048 155 HH11 ARG 23 HH11 ARG 23 0.873 9.243 9.893 156 HH12 ARG 23 HH12 ARG 23 2.054 9.348 11.210 157 HH21 ARG 23 HH21 ARG 23 2.903 12.552 10.749 158 HH22 ARG 23 HH22 ARG 23 3.062 11.050 11.697 159 H GLY 24 H GLY 24 -1.082 6.662 6.387 160 HA2 GLY 24 HA2 GLY 24 0.900 5.601 8.184 161 HA3 GLY 24 HA3 GLY 24 -0.714 4.942 7.863 162 H LEU 25 H LEU 25 -0.231 4.580 4.969 163 HA LEU 25 HA LEU 25 1.389 2.122 4.892 164 HB2 LEU 25 HB2 LEU 25 0.419 3.873 2.584 165 HB3 LEU 25 HB3 LEU 25 1.067 2.238 2.445 166 HG LEU 25 HG LEU 25 -1.517 2.938 3.872 167 HD11 LEU 25 HD11 LEU 25 -0.949 1.939 1.047 168 HD12 LEU 25 HD12 LEU 25 -1.743 3.448 1.517 169 HD13 LEU 25 HD13 LEU 25 -2.554 1.902 1.802 170 HD21 LEU 25 HD21 LEU 25 -0.551 0.833 4.681 171 HD22 LEU 25 HD22 LEU 25 -0.299 0.273 3.009 172 HD23 LEU 25 HD23 LEU 25 -1.943 0.491 3.640 173 H GLU 26 H GLU 26 1.728 5.411 3.567 174 HA GLU 26 HA GLU 26 4.227 5.255 2.373 175 HB2 GLU 26 HB2 GLU 26 2.566 7.035 2.133 176 HB3 GLU 26 HB3 GLU 26 2.822 7.534 3.804 177 HG2 GLU 26 HG2 GLU 26 5.145 8.228 3.205 178 HG3 GLU 26 HG3 GLU 26 4.811 7.777 1.521 179 H ALA 27 H ALA 27 3.598 6.178 5.836 180 HA ALA 27 HA ALA 27 6.406 6.497 6.388 181 HB1 ALA 27 HB1 ALA 27 5.611 6.660 8.727 182 HB2 ALA 27 HB2 ALA 27 4.650 7.674 7.634 183 HB3 ALA 27 HB3 ALA 27 3.994 6.128 8.217 184 H ALA 28 H ALA 28 4.379 3.614 6.420 185 HA ALA 28 HA ALA 28 6.285 2.049 8.015 186 HB1 ALA 28 HB1 ALA 28 3.868 1.653 8.186 187 HB2 ALA 28 HB2 ALA 28 3.809 1.215 6.464 188 HB3 ALA 28 HB3 ALA 28 4.735 0.219 7.616 189 H PHE 29 H PHE 29 5.449 2.481 4.581 190 HA PHE 29 HA PHE 29 7.448 0.537 3.675 191 HB2 PHE 29 HB2 PHE 29 5.536 2.425 2.271 192 HB3 PHE 29 HB3 PHE 29 6.774 1.531 1.408 193 HD1 PHE 29 HD1 PHE 29 6.857 -0.978 1.499 194 HD2 PHE 29 HD2 PHE 29 3.436 1.286 2.789 195 HE1 PHE 29 HE1 PHE 29 5.391 -2.956 1.131 196 HE2 PHE 29 HE2 PHE 29 2.005 -0.716 2.542 197 HZ PHE 29 HZ PHE 29 2.980 -2.843 1.693 198 H SER 30 H SER 30 7.393 4.085 4.079 199 HA SER 30 HA SER 30 9.608 4.739 2.497 200 HB2 SER 30 HB2 SER 30 8.163 6.410 3.483 201 HB3 SER 30 HB3 SER 30 8.642 5.932 5.129 202 HG SER 30 HG SER 30 9.725 7.821 4.316 203 H SER 31 H SER 31 9.637 2.997 5.556 204 HA SER 31 HA SER 31 12.408 3.421 6.223 205 HB2 SER 31 HB2 SER 31 10.683 1.028 6.915 206 HB3 SER 31 HB3 SER 31 12.109 1.622 7.787 207 HG SER 31 HG SER 31 10.874 3.623 8.081 208 H PHE 32 H PHE 32 10.941 1.465 3.729 209 HA PHE 32 HA PHE 32 13.314 -0.277 3.441 210 HB2 PHE 32 HB2 PHE 32 10.757 -0.035 1.823 211 HB3 PHE 32 HB3 PHE 32 12.078 -1.130 1.455 212 HD1 PHE 32 HD2 PHE 32 9.417 -0.377 3.950 213 HD2 PHE 32 HD1 PHE 32 12.491 -3.134 2.737 214 HE1 PHE 32 HE2 PHE 32 8.549 -2.047 5.563 215 HE2 PHE 32 HE1 PHE 32 11.642 -4.793 4.370 216 HZ PHE 32 HZ PHE 32 9.662 -4.265 5.779 217 H GLY 33 H GLY 33 11.852 2.557 1.773 218 HA2 GLY 33 HA2 GLY 33 14.349 3.634 1.052 219 HA3 GLY 33 HA3 GLY 33 13.763 2.743 -0.355 220 H GLU 34 H GLU 34 13.983 5.093 -1.153 221 HA GLU 34 HA GLU 34 12.116 7.124 -0.460 222 HB2 GLU 34 HB2 GLU 34 13.520 6.537 -3.072 223 HB3 GLU 34 HB3 GLU 34 12.512 7.951 -2.780 224 HG2 GLU 34 HG2 GLU 34 14.054 8.635 -0.934 225 HG3 GLU 34 HG3 GLU 34 15.093 7.259 -1.332 226 H ILE 35 H ILE 35 9.962 7.118 -0.538 227 HA ILE 35 HA ILE 35 8.473 5.480 -2.507 228 HB ILE 35 HB ILE 35 7.714 7.057 -0.037 229 HG12 ILE 35 HG12 ILE 35 8.503 4.779 0.351 230 HG13 ILE 35 HG13 ILE 35 6.795 4.927 0.739 231 HG21 ILE 35 HG21 ILE 35 5.933 7.643 -1.547 232 HG22 ILE 35 HG22 ILE 35 5.738 5.972 -2.087 233 HG23 ILE 35 HG23 ILE 35 5.324 6.423 -0.425 234 HD11 ILE 35 HD11 ILE 35 8.025 3.568 -1.693 235 HD12 ILE 35 HD12 ILE 35 7.086 2.838 -0.394 236 HD13 ILE 35 HD13 ILE 35 6.289 3.910 -1.568 237 H LEU 36 H LEU 36 7.393 6.230 -4.183 238 HA LEU 36 HA LEU 36 7.716 9.105 -4.924 239 HB2 LEU 36 HB2 LEU 36 6.751 6.703 -6.524 240 HB3 LEU 36 HB3 LEU 36 6.914 8.343 -7.145 241 HG LEU 36 HG LEU 36 9.214 6.617 -6.123 242 HD11 LEU 36 HD11 LEU 36 8.176 5.850 -8.248 243 HD12 LEU 36 HD12 LEU 36 9.840 6.412 -8.458 244 HD13 LEU 36 HD13 LEU 36 8.485 7.446 -8.959 245 HD21 LEU 36 HD21 LEU 36 10.643 8.355 -7.219 246 HD22 LEU 36 HD22 LEU 36 9.765 8.984 -5.820 247 HD23 LEU 36 HD23 LEU 36 9.201 9.357 -7.467 248 H ASP 37 H ASP 37 5.134 6.646 -4.332 249 HA ASP 37 HA ASP 37 3.233 8.744 -3.773 250 HB2 ASP 37 HB2 ASP 37 1.948 8.863 -5.600 251 HB3 ASP 37 HB3 ASP 37 3.470 8.585 -6.412 252 H ALA 38 H ALA 38 1.157 7.999 -2.978 253 HA ALA 38 HA ALA 38 0.672 5.130 -3.155 254 HB1 ALA 38 HB1 ALA 38 -0.024 5.044 -0.739 255 HB2 ALA 38 HB2 ALA 38 1.718 5.287 -0.971 256 HB3 ALA 38 HB3 ALA 38 0.692 6.662 -0.524 257 H LYS 39 H LYS 39 -1.514 4.599 -3.072 258 HA LYS 39 HA LYS 39 -3.489 6.856 -3.362 259 HB2 LYS 39 HB2 LYS 39 -3.352 5.494 -5.401 260 HB3 LYS 39 HB3 LYS 39 -3.567 4.020 -4.470 261 HG2 LYS 39 HG2 LYS 39 -5.604 4.605 -5.663 262 HG3 LYS 39 HG3 LYS 39 -5.922 4.633 -3.930 263 HD2 LYS 39 HD2 LYS 39 -5.739 7.112 -3.943 264 HD3 LYS 39 HD3 LYS 39 -5.303 7.088 -5.657 265 HE2 LYS 39 HE2 LYS 39 -7.475 6.277 -6.285 266 HE3 LYS 39 HE3 LYS 39 -7.922 5.948 -4.607 267 HZ1 LYS 39 HZ1 LYS 39 -8.146 8.231 -4.165 268 HZ2 LYS 39 HZ2 LYS 39 -8.768 8.096 -5.684 269 HZ3 LYS 39 HZ3 LYS 39 -7.257 8.675 -5.487 270 H ILE 40 H ILE 40 -5.085 6.992 -1.919 271 HA ILE 40 HA ILE 40 -5.877 4.535 -0.421 272 HB ILE 40 HB ILE 40 -5.024 5.977 1.223 273 HG12 ILE 40 HG12 ILE 40 -7.374 4.865 1.488 274 HG13 ILE 40 HG13 ILE 40 -6.701 5.905 2.709 275 HG21 ILE 40 HG21 ILE 40 -5.853 8.299 1.619 276 HG22 ILE 40 HG22 ILE 40 -4.918 8.128 0.136 277 HG23 ILE 40 HG23 ILE 40 -6.687 8.230 0.057 278 HD11 ILE 40 HD11 ILE 40 -8.170 7.736 2.128 279 HD12 ILE 40 HD12 ILE 40 -8.778 6.864 0.706 280 HD13 ILE 40 HD13 ILE 40 -9.130 6.267 2.333 281 H ILE 41 H ILE 41 -8.049 4.021 -0.472 282 HA ILE 41 HA ILE 41 -9.818 5.978 -1.752 283 HB ILE 41 HB ILE 41 -8.956 4.660 -3.556 284 HG12 ILE 41 HG12 ILE 41 -11.041 4.078 -4.696 285 HG13 ILE 41 HG13 ILE 41 -11.940 4.246 -3.193 286 HG21 ILE 41 HG21 ILE 41 -8.892 2.455 -2.120 287 HG22 ILE 41 HG22 ILE 41 -10.491 2.205 -2.843 288 HG23 ILE 41 HG23 ILE 41 -9.050 2.456 -3.873 289 HD11 ILE 41 HD11 ILE 41 -12.133 6.252 -4.630 290 HD12 ILE 41 HD12 ILE 41 -11.333 6.675 -3.121 291 HD13 ILE 41 HD13 ILE 41 -10.374 6.462 -4.602 292 H ASN 42 H ASN 42 -11.799 6.088 -1.364 293 HA ASN 42 HA ASN 42 -13.471 4.269 0.122 294 HB2 ASN 42 HB2 ASN 42 -13.959 5.859 1.945 295 HB3 ASN 42 HB3 ASN 42 -12.253 5.447 1.988 296 HD21 ASN 42 HD21 ASN 42 -14.603 8.077 1.209 297 HD22 ASN 42 HD22 ASN 42 -13.340 9.311 1.228 298 H ASP 43 H ASP 43 -15.756 5.256 0.128 299 HA ASP 43 HA ASP 43 -16.217 6.967 -2.223 300 HB2 ASP 43 HB2 ASP 43 -17.878 5.228 -1.572 301 HB3 ASP 43 HB3 ASP 43 -18.166 6.109 -0.053 302 H ARG 44 H ARG 44 -16.111 9.156 -2.223 303 HA ARG 44 HA ARG 44 -15.704 10.623 0.246 304 HB2 ARG 44 HB2 ARG 44 -15.389 12.541 -1.105 305 HB3 ARG 44 HB3 ARG 44 -14.634 11.177 -1.899 306 HG2 ARG 44 HG2 ARG 44 -15.601 12.172 -3.707 307 HG3 ARG 44 HG3 ARG 44 -16.883 11.064 -3.269 308 HD2 ARG 44 HD2 ARG 44 -17.872 13.172 -3.797 309 HD3 ARG 44 HD3 ARG 44 -18.026 12.997 -2.050 310 HE ARG 44 HE ARG 44 -15.610 14.398 -2.560 311 HH11 ARG 44 HH11 ARG 44 -18.945 15.083 -3.544 312 HH12 ARG 44 HH12 ARG 44 -18.631 16.810 -3.391 313 HH21 ARG 44 HH21 ARG 44 -15.539 16.649 -2.136 314 HH22 ARG 44 HH22 ARG 44 -16.867 17.590 -2.803 315 H GLU 45 H GLU 45 -18.575 9.868 -1.534 316 HA GLU 45 HA GLU 45 -20.188 12.063 -0.535 317 HB2 GLU 45 HB2 GLU 45 -20.549 10.921 -2.707 318 HB3 GLU 45 HB3 GLU 45 -20.870 9.417 -1.855 319 HG2 GLU 45 HG2 GLU 45 -22.955 10.401 -2.595 320 HG3 GLU 45 HG3 GLU 45 -22.905 10.415 -0.835 321 H THR 46 H THR 46 -20.152 8.544 0.214 322 HA THR 46 HA THR 46 -21.757 9.032 2.666 323 HB THR 46 HB THR 46 -21.830 6.579 2.835 324 HG1 THR 46 HG1 THR 46 -20.536 6.610 0.293 325 HG21 THR 46 HG21 THR 46 -23.539 7.856 1.531 326 HG22 THR 46 HG22 THR 46 -23.302 6.198 0.959 327 HG23 THR 46 HG23 THR 46 -22.597 7.555 0.052 328 H GLY 47 H GLY 47 -18.442 8.861 1.937 329 HA2 GLY 47 HA2 GLY 47 -16.606 9.019 3.321 330 HA3 GLY 47 HA3 GLY 47 -17.629 8.807 4.745 331 H ARG 48 H ARG 48 -18.367 6.353 2.608 332 HA ARG 48 HA ARG 48 -17.576 4.375 4.485 333 HB2 ARG 48 HB2 ARG 48 -19.644 4.387 3.169 334 HB3 ARG 48 HB3 ARG 48 -18.747 4.117 1.674 335 HG2 ARG 48 HG2 ARG 48 -18.430 2.180 3.970 336 HG3 ARG 48 HG3 ARG 48 -19.923 2.149 3.039 337 HD2 ARG 48 HD2 ARG 48 -18.838 1.499 1.026 338 HD3 ARG 48 HD3 ARG 48 -17.258 1.999 1.603 339 HE ARG 48 HE ARG 48 -16.944 0.005 2.634 340 HH11 ARG 48 HH11 ARG 48 -20.391 0.057 1.846 341 HH12 ARG 48 HH12 ARG 48 -20.729 -1.305 2.893 342 HH21 ARG 48 HH21 ARG 48 -17.486 -1.600 4.014 343 HH22 ARG 48 HH22 ARG 48 -19.165 -2.030 4.247 344 H SER 49 H SER 49 -15.854 3.094 4.675 345 HA SER 49 HA SER 49 -13.548 3.532 3.062 346 HB2 SER 49 HB2 SER 49 -12.471 1.889 4.495 347 HB3 SER 49 HB3 SER 49 -13.454 3.018 5.439 348 HG SER 49 HG SER 49 -13.925 1.064 6.220 349 H ARG 50 H ARG 50 -12.430 2.317 1.641 350 HA ARG 50 HA ARG 50 -13.629 -0.241 0.589 351 HB2 ARG 50 HB2 ARG 50 -11.470 1.531 -0.640 352 HB3 ARG 50 HB3 ARG 50 -11.997 -0.008 -1.278 353 HG2 ARG 50 HG2 ARG 50 -14.250 1.898 -0.883 354 HG3 ARG 50 HG3 ARG 50 -12.990 2.502 -1.947 355 HD2 ARG 50 HD2 ARG 50 -14.621 1.434 -3.289 356 HD3 ARG 50 HD3 ARG 50 -13.160 0.447 -3.340 357 HE ARG 50 HE ARG 50 -14.421 -0.922 -1.445 358 HH11 ARG 50 HH11 ARG 50 -15.872 0.202 -4.446 359 HH12 ARG 50 HH12 ARG 50 -17.282 -0.816 -4.165 360 HH21 ARG 50 HH21 ARG 50 -16.111 -2.254 -1.370 361 HH22 ARG 50 HH22 ARG 50 -17.420 -2.084 -2.558 362 H GLY 51 H GLY 51 -10.753 1.301 1.913 363 HA2 GLY 51 HA2 GLY 51 -9.465 0.485 3.610 364 HA3 GLY 51 HA3 GLY 51 -10.123 -1.100 3.490 365 H PHE 52 H PHE 52 -8.824 0.330 0.580 366 HA PHE 52 HA PHE 52 -6.274 -1.126 0.797 367 HB2 PHE 52 HB2 PHE 52 -6.609 -2.025 -1.537 368 HB3 PHE 52 HB3 PHE 52 -7.469 -2.811 -0.254 369 HD1 PHE 52 HD2 PHE 52 -7.964 -0.145 -2.893 370 HD2 PHE 52 HD1 PHE 52 -9.722 -3.352 -0.607 371 HE1 PHE 52 HE2 PHE 52 -9.985 -0.064 -4.326 372 HE2 PHE 52 HE1 PHE 52 -11.748 -3.256 -2.039 373 HZ PHE 52 HZ PHE 52 -11.872 -1.626 -3.912 374 H GLY 53 H GLY 53 -4.843 -0.667 -1.024 375 HA2 GLY 53 HA2 GLY 53 -5.077 1.947 -2.336 376 HA3 GLY 53 HA3 GLY 53 -3.962 1.875 -0.962 377 H PHE 54 H PHE 54 -2.837 2.588 -3.153 378 HA PHE 54 HA PHE 54 -1.207 0.243 -4.000 379 HB2 PHE 54 HB2 PHE 54 -1.833 2.700 -5.667 380 HB3 PHE 54 HB3 PHE 54 -0.626 1.484 -6.056 381 HD1 PHE 54 HD2 PHE 54 -4.296 2.078 -5.729 382 HD2 PHE 54 HD1 PHE 54 -1.215 -0.650 -7.004 383 HE1 PHE 54 HE2 PHE 54 -6.010 0.670 -6.852 384 HE2 PHE 54 HE1 PHE 54 -2.931 -2.033 -8.164 385 HZ PHE 54 HZ PHE 54 -5.329 -1.383 -8.069 386 H VAL 55 H VAL 55 1.074 0.638 -4.107 387 HA VAL 55 HA VAL 55 2.106 3.167 -2.913 388 HB VAL 55 HB VAL 55 2.872 0.394 -1.904 389 HG11 VAL 55 HG11 VAL 55 4.818 1.880 -1.870 390 HG12 VAL 55 HG12 VAL 55 3.860 3.161 -1.084 391 HG13 VAL 55 HG13 VAL 55 4.227 1.644 -0.232 392 HG21 VAL 55 HG21 VAL 55 1.391 2.656 -0.495 393 HG22 VAL 55 HG22 VAL 55 0.720 1.074 -0.942 394 HG23 VAL 55 HG23 VAL 55 1.985 1.166 0.279 395 H SER 56 H SER 56 3.829 3.910 -3.952 396 HA SER 56 HA SER 56 5.231 2.212 -5.981 397 HB2 SER 56 HB2 SER 56 4.744 5.204 -5.988 398 HB3 SER 56 HB3 SER 56 5.460 4.251 -7.294 399 HG SER 56 HG SER 56 3.132 4.885 -7.304 400 H PHE 57 H PHE 57 7.379 2.104 -6.000 401 HA PHE 57 HA PHE 57 9.000 3.623 -4.009 402 HB2 PHE 57 HB2 PHE 57 9.570 0.966 -5.370 403 HB3 PHE 57 HB3 PHE 57 10.530 1.717 -4.115 404 HD1 PHE 57 HD1 PHE 57 7.256 0.073 -4.832 405 HD2 PHE 57 HD2 PHE 57 10.013 1.378 -1.783 406 HE1 PHE 57 HE1 PHE 57 5.993 -1.215 -3.139 407 HE2 PHE 57 HE2 PHE 57 8.763 0.054 -0.097 408 HZ PHE 57 HZ PHE 57 6.750 -1.253 -0.788 409 H SER 58 H SER 58 11.146 4.238 -4.584 410 HA SER 58 HA SER 58 11.466 5.190 -7.329 411 HB2 SER 58 HB2 SER 58 13.397 5.344 -4.995 412 HB3 SER 58 HB3 SER 58 13.477 6.271 -6.496 413 HG SER 58 HG SER 58 11.472 6.371 -4.490 414 H ASN 59 H ASN 59 12.749 2.400 -5.581 415 HA ASN 59 HA ASN 59 14.307 1.570 -7.951 416 HB2 ASN 59 HB2 ASN 59 15.525 1.846 -5.166 417 HB3 ASN 59 HB3 ASN 59 16.263 0.986 -6.514 418 HD21 ASN 59 HD21 ASN 59 15.718 4.169 -5.133 419 HD22 ASN 59 HD22 ASN 59 16.578 5.023 -6.410 420 H GLU 60 H GLU 60 14.862 -0.716 -7.917 421 HA GLU 60 HA GLU 60 12.487 -2.142 -7.266 422 HB2 GLU 60 HB2 GLU 60 13.973 -2.423 -9.277 423 HB3 GLU 60 HB3 GLU 60 15.139 -3.256 -8.258 424 HG2 GLU 60 HG2 GLU 60 13.499 -5.011 -7.746 425 HG3 GLU 60 HG3 GLU 60 12.239 -4.129 -8.623 426 H GLN 61 H GLN 61 15.803 -2.571 -5.903 427 HA GLN 61 HA GLN 61 15.160 -4.949 -4.553 428 HB2 GLN 61 HB2 GLN 61 17.409 -4.091 -5.194 429 HB3 GLN 61 HB3 GLN 61 17.368 -2.982 -3.815 430 HG2 GLN 61 HG2 GLN 61 17.427 -4.797 -2.249 431 HG3 GLN 61 HG3 GLN 61 16.969 -5.976 -3.488 432 HE21 GLN 61 HE21 GLN 61 18.539 -6.613 -5.112 433 HE22 GLN 61 HE22 GLN 61 20.240 -6.488 -4.737 434 H ALA 62 H ALA 62 14.621 -1.667 -3.494 435 HA ALA 62 HA ALA 62 13.947 -2.240 -0.734 436 HB1 ALA 62 HB1 ALA 62 13.212 0.077 -2.585 437 HB2 ALA 62 HB2 ALA 62 12.976 0.039 -0.826 438 HB3 ALA 62 HB3 ALA 62 14.619 -0.000 -1.496 439 H MET 63 H MET 63 12.002 -2.000 -3.776 440 HA MET 63 HA MET 63 9.432 -2.509 -2.567 441 HB2 MET 63 HB2 MET 63 9.729 -1.621 -4.870 442 HB3 MET 63 HB3 MET 63 10.482 -3.134 -5.361 443 HG2 MET 63 HG2 MET 63 8.328 -4.326 -4.757 444 HG3 MET 63 HG3 MET 63 7.612 -2.741 -4.478 445 HE1 MET 63 HE1 MET 63 8.861 -4.476 -8.597 446 HE2 MET 63 HE2 MET 63 10.094 -4.012 -7.410 447 HE3 MET 63 HE3 MET 63 8.972 -5.345 -7.051 448 H GLN 64 H GLN 64 12.012 -4.645 -3.791 449 HA GLN 64 HA GLN 64 10.534 -7.101 -3.484 450 HB2 GLN 64 HB2 GLN 64 13.504 -6.505 -3.727 451 HB3 GLN 64 HB3 GLN 64 12.828 -8.144 -3.613 452 HG2 GLN 64 HG2 GLN 64 11.527 -7.835 -5.634 453 HG3 GLN 64 HG3 GLN 64 11.985 -6.138 -5.757 454 HE21 GLN 64 HE21 GLN 64 12.317 -7.979 -7.843 455 HE22 GLN 64 HE22 GLN 64 14.052 -8.141 -8.139 456 H ASP 65 H ASP 65 12.962 -5.501 -1.343 457 HA ASP 65 HA ASP 65 12.819 -7.483 0.736 458 HB2 ASP 65 HB2 ASP 65 14.646 -5.799 0.443 459 HB3 ASP 65 HB3 ASP 65 13.523 -4.522 0.906 460 H ALA 66 H ALA 66 10.835 -4.602 0.012 461 HA ALA 66 HA ALA 66 9.290 -4.707 2.433 462 HB1 ALA 66 HB1 ALA 66 9.346 -2.737 0.962 463 HB2 ALA 66 HB2 ALA 66 8.503 -3.643 -0.311 464 HB3 ALA 66 HB3 ALA 66 7.695 -3.314 1.237 465 H ILE 67 H ILE 67 8.367 -5.959 -0.844 466 HA ILE 67 HA ILE 67 6.138 -7.457 0.010 467 HB ILE 67 HB ILE 67 8.004 -7.858 -2.349 468 HG12 ILE 67 HG12 ILE 67 5.196 -6.652 -2.162 469 HG13 ILE 67 HG13 ILE 67 6.672 -5.699 -2.157 470 HG21 ILE 67 HG21 ILE 67 6.867 -10.010 -1.962 471 HG22 ILE 67 HG22 ILE 67 5.295 -9.186 -1.846 472 HG23 ILE 67 HG23 ILE 67 6.195 -9.239 -3.378 473 HD11 ILE 67 HD11 ILE 67 5.631 -7.370 -4.469 474 HD12 ILE 67 HD12 ILE 67 5.794 -5.613 -4.364 475 HD13 ILE 67 HD13 ILE 67 7.250 -6.624 -4.422 476 H GLU 68 H GLU 68 9.556 -8.595 -0.091 477 HA GLU 68 HA GLU 68 9.068 -11.270 0.772 478 HB2 GLU 68 HB2 GLU 68 11.195 -10.249 -0.190 479 HB3 GLU 68 HB3 GLU 68 11.468 -9.508 1.384 480 HG2 GLU 68 HG2 GLU 68 12.826 -11.385 1.419 481 HG3 GLU 68 HG3 GLU 68 11.426 -11.952 2.313 482 H GLY 69 H GLY 69 9.138 -8.261 2.647 483 HA2 GLY 69 HA2 GLY 69 9.043 -9.682 5.242 484 HA3 GLY 69 HA3 GLY 69 9.046 -7.943 4.971 485 H MET 70 H MET 70 6.896 -7.716 3.213 486 HA MET 70 HA MET 70 4.975 -7.113 5.151 487 HB2 MET 70 HB2 MET 70 5.030 -7.090 2.124 488 HB3 MET 70 HB3 MET 70 3.604 -6.505 2.983 489 HG2 MET 70 HG2 MET 70 6.392 -5.486 3.643 490 HG3 MET 70 HG3 MET 70 5.481 -4.825 2.301 491 HE1 MET 70 HE1 MET 70 6.283 -2.646 3.900 492 HE2 MET 70 HE2 MET 70 5.539 -2.292 5.474 493 HE3 MET 70 HE3 MET 70 6.697 -3.631 5.321 494 H ASN 71 H ASN 71 4.981 -9.942 3.053 495 HA ASN 71 HA ASN 71 2.272 -10.474 2.818 496 HB2 ASN 71 HB2 ASN 71 4.203 -11.485 1.641 497 HB3 ASN 71 HB3 ASN 71 4.575 -12.457 3.063 498 HD21 ASN 71 HD21 ASN 71 4.356 -13.802 0.854 499 HD22 ASN 71 HD22 ASN 71 2.827 -14.656 0.733 500 H GLY 72 H GLY 72 1.064 -10.016 4.634 501 HA2 GLY 72 HA2 GLY 72 -0.453 -11.037 6.117 502 HA3 GLY 72 HA3 GLY 72 0.748 -12.244 6.571 503 H LYS 73 H LYS 73 2.032 -9.017 6.631 504 HA LYS 73 HA LYS 73 2.516 -9.301 9.484 505 HB2 LYS 73 HB2 LYS 73 3.231 -7.179 7.422 506 HB3 LYS 73 HB3 LYS 73 3.649 -6.967 9.111 507 HG2 LYS 73 HG2 LYS 73 4.561 -9.265 7.337 508 HG3 LYS 73 HG3 LYS 73 5.522 -7.860 7.829 509 HD2 LYS 73 HD2 LYS 73 5.097 -8.635 10.263 510 HD3 LYS 73 HD3 LYS 73 4.548 -10.163 9.566 511 HE2 LYS 73 HE2 LYS 73 7.292 -8.891 9.204 512 HE3 LYS 73 HE3 LYS 73 6.912 -10.247 10.271 513 HZ1 LYS 73 HZ1 LYS 73 6.299 -11.544 8.275 514 HZ2 LYS 73 HZ2 LYS 73 7.856 -10.981 8.137 515 HZ3 LYS 73 HZ3 LYS 73 6.654 -10.267 7.324 516 H GLU 74 H GLU 74 2.147 -7.970 11.160 517 HA GLU 74 HA GLU 74 -0.258 -6.298 11.215 518 HB2 GLU 74 HB2 GLU 74 0.563 -5.846 13.570 519 HB3 GLU 74 HB3 GLU 74 0.027 -7.469 13.192 520 HG2 GLU 74 HG2 GLU 74 2.975 -7.022 12.859 521 HG3 GLU 74 HG3 GLU 74 2.361 -6.844 14.484 522 H LEU 75 H LEU 75 -0.113 -4.472 10.067 523 HA LEU 75 HA LEU 75 2.234 -2.650 10.452 524 HB2 LEU 75 HB2 LEU 75 1.889 -4.091 8.224 525 HB3 LEU 75 HB3 LEU 75 0.730 -2.828 7.848 526 HG LEU 75 HG LEU 75 2.770 -1.218 8.539 527 HD11 LEU 75 HD11 LEU 75 4.212 -3.720 7.541 528 HD12 LEU 75 HD12 LEU 75 4.200 -3.207 9.232 529 HD13 LEU 75 HD13 LEU 75 4.951 -2.174 8.002 530 HD21 LEU 75 HD21 LEU 75 1.756 -1.221 6.328 531 HD22 LEU 75 HD22 LEU 75 2.597 -2.732 5.913 532 HD23 LEU 75 HD23 LEU 75 3.518 -1.241 6.153 533 H ASP 76 H ASP 76 1.716 -0.599 11.004 534 HA ASP 76 HA ASP 76 0.468 1.066 11.848 535 HB2 ASP 76 HB2 ASP 76 0.227 1.396 9.308 536 HB3 ASP 76 HB3 ASP 76 -1.437 0.823 9.492 537 H GLY 77 H GLY 77 -0.176 -1.611 12.721 538 HA2 GLY 77 HA2 GLY 77 -1.560 -2.488 14.364 539 HA3 GLY 77 HA3 GLY 77 -2.623 -1.083 14.241 540 H ARG 78 H ARG 78 -2.028 -2.603 11.205 541 HA ARG 78 HA ARG 78 -4.685 -3.995 11.201 542 HB2 ARG 78 HB2 ARG 78 -3.224 -2.574 8.931 543 HB3 ARG 78 HB3 ARG 78 -4.824 -3.277 8.851 544 HG2 ARG 78 HG2 ARG 78 -3.971 -0.815 10.440 545 HG3 ARG 78 HG3 ARG 78 -4.927 -0.825 8.975 546 HD2 ARG 78 HD2 ARG 78 -5.726 -1.803 11.726 547 HD3 ARG 78 HD3 ARG 78 -6.425 -0.462 10.809 548 HE ARG 78 HE ARG 78 -6.951 -2.501 9.126 549 HH11 ARG 78 HH11 ARG 78 -7.554 -2.242 12.606 550 HH12 ARG 78 HH12 ARG 78 -8.878 -3.357 12.544 551 HH21 ARG 78 HH21 ARG 78 -8.351 -4.271 9.267 552 HH22 ARG 78 HH22 ARG 78 -9.263 -4.521 10.737 553 H SER 79 H SER 79 -4.907 -5.851 9.811 554 HA SER 79 HA SER 79 -2.458 -7.396 9.317 555 HB2 SER 79 HB2 SER 79 -4.063 -9.081 8.400 556 HB3 SER 79 HB3 SER 79 -4.313 -8.648 10.094 557 HG SER 79 HG SER 79 -6.242 -8.792 8.768 558 H ILE 80 H ILE 80 -1.191 -6.875 7.604 559 HA ILE 80 HA ILE 80 -2.504 -5.786 5.197 560 HB ILE 80 HB ILE 80 -0.675 -4.509 6.319 561 HG12 ILE 80 HG12 ILE 80 -0.283 -5.097 3.350 562 HG13 ILE 80 HG13 ILE 80 -1.608 -4.136 3.998 563 HG21 ILE 80 HG21 ILE 80 1.641 -5.026 5.840 564 HG22 ILE 80 HG22 ILE 80 0.927 -6.465 6.568 565 HG23 ILE 80 HG23 ILE 80 1.190 -6.408 4.825 566 HD11 ILE 80 HD11 ILE 80 0.090 -2.565 5.002 567 HD12 ILE 80 HD12 ILE 80 1.346 -3.461 4.101 568 HD13 ILE 80 HD13 ILE 80 0.060 -2.617 3.232 569 H VAL 81 H VAL 81 -2.402 -6.498 3.234 570 HA VAL 81 HA VAL 81 -1.027 -9.077 2.580 571 HB VAL 81 HB VAL 81 -3.761 -8.066 1.697 572 HG11 VAL 81 HG11 VAL 81 -3.926 -10.139 0.347 573 HG12 VAL 81 HG12 VAL 81 -2.685 -9.052 -0.272 574 HG13 VAL 81 HG13 VAL 81 -2.217 -10.487 0.679 575 HG21 VAL 81 HG21 VAL 81 -3.746 -9.237 3.875 576 HG22 VAL 81 HG22 VAL 81 -4.526 -10.236 2.646 577 HG23 VAL 81 HG23 VAL 81 -2.858 -10.597 3.154 578 H VAL 82 H VAL 82 0.087 -9.101 0.644 579 HA VAL 82 HA VAL 82 0.345 -6.500 -0.813 580 HB VAL 82 HB VAL 82 2.783 -7.131 -1.145 581 HG11 VAL 82 HG11 VAL 82 3.397 -5.845 0.798 582 HG12 VAL 82 HG12 VAL 82 1.931 -5.197 0.087 583 HG13 VAL 82 HG13 VAL 82 1.813 -6.182 1.566 584 HG21 VAL 82 HG21 VAL 82 2.386 -8.621 1.469 585 HG22 VAL 82 HG22 VAL 82 2.670 -9.416 -0.094 586 HG23 VAL 82 HG23 VAL 82 3.904 -8.355 0.585 587 H ASN 83 H ASN 83 0.492 -6.563 -3.009 588 HA ASN 83 HA ASN 83 1.947 -8.731 -4.214 589 HB2 ASN 83 HB2 ASN 83 0.386 -9.242 -6.041 590 HB3 ASN 83 HB3 ASN 83 -0.238 -9.776 -4.484 591 HD21 ASN 83 HD21 ASN 83 -0.563 -7.201 -7.005 592 HD22 ASN 83 HD22 ASN 83 -2.269 -6.987 -6.646 593 H GLU 84 H GLU 84 2.768 -8.191 -6.306 594 HA GLU 84 HA GLU 84 3.337 -5.461 -6.829 595 HB2 GLU 84 HB2 GLU 84 4.324 -6.227 -8.894 596 HB3 GLU 84 HB3 GLU 84 4.726 -7.303 -7.572 597 HG2 GLU 84 HG2 GLU 84 4.301 -8.718 -9.400 598 HG3 GLU 84 HG3 GLU 84 2.886 -8.873 -8.354 599 H ALA 85 H ALA 85 2.754 -4.079 -8.534 600 HA ALA 85 HA ALA 85 0.064 -4.500 -9.739 601 HB1 ALA 85 HB1 ALA 85 1.097 -2.030 -8.316 602 HB2 ALA 85 HB2 ALA 85 -0.400 -2.097 -9.259 603 HB3 ALA 85 HB3 ALA 85 -0.222 -3.100 -7.808 604 H GLN 86 H GLN 86 2.805 -4.881 -10.895 605 HA GLN 86 HA GLN 86 2.842 -2.785 -13.025 606 HB2 GLN 86 HB2 GLN 86 4.998 -3.862 -13.714 607 HB3 GLN 86 HB3 GLN 86 4.994 -2.959 -12.205 608 HG2 GLN 86 HG2 GLN 86 5.075 -4.979 -10.888 609 HG3 GLN 86 HG3 GLN 86 4.766 -5.987 -12.309 610 HE21 GLN 86 HE21 GLN 86 7.216 -3.390 -11.414 611 HE22 GLN 86 HE22 GLN 86 8.574 -4.395 -11.946 612 H SER 87 H SER 87 2.070 -6.194 -12.491 613 HA SER 87 HA SER 87 1.789 -7.036 -15.195 614 HB2 SER 87 HB2 SER 87 0.082 -8.622 -14.246 615 HB3 SER 87 HB3 SER 87 1.649 -8.614 -13.431 616 HG SER 87 HG SER 87 0.748 -8.058 -11.690 617 H ARG 88 H ARG 88 -0.006 -4.689 -13.528 618 HA ARG 88 HA ARG 88 -2.521 -4.695 -14.955 619 HB2 ARG 88 HB2 ARG 88 -1.087 -2.449 -13.476 620 HB3 ARG 88 HB3 ARG 88 -2.793 -2.488 -13.930 621 HG2 ARG 88 HG2 ARG 88 -3.148 -4.460 -12.436 622 HG3 ARG 88 HG3 ARG 88 -1.443 -4.397 -11.967 623 HD2 ARG 88 HD2 ARG 88 -2.658 -3.305 -10.232 624 HD3 ARG 88 HD3 ARG 88 -1.781 -2.067 -11.128 625 HE ARG 88 HE ARG 88 -3.794 -1.216 -11.995 626 HH11 ARG 88 HH11 ARG 88 -4.662 -4.097 -10.053 627 HH12 ARG 88 HH12 ARG 88 -6.359 -3.615 -10.197 628 HH21 ARG 88 HH21 ARG 88 -5.916 -0.905 -12.107 629 HH22 ARG 88 HH22 ARG 88 -7.010 -1.995 -11.236 630 H GLY 89 H GLY 89 0.583 -3.900 -16.101 631 HA2 GLY 89 HA2 GLY 89 -0.062 -1.801 -17.966 632 HA3 GLY 89 HA3 GLY 89 1.297 -2.918 -18.085 633 H TYR 90 H TYR 90 -0.350 -1.942 -20.211 634 HA TYR 90 HA TYR 90 -1.154 -4.489 -21.442 635 HB2 TYR 90 HB2 TYR 90 -3.377 -3.885 -22.021 636 HB3 TYR 90 HB3 TYR 90 -3.205 -3.728 -20.290 637 HD1 TYR 90 HD1 TYR 90 -3.764 -1.956 -23.458 638 HD2 TYR 90 HD2 TYR 90 -3.352 -1.500 -19.190 639 HE1 TYR 90 HE1 TYR 90 -4.718 0.317 -23.612 640 HE2 TYR 90 HE2 TYR 90 -4.340 0.789 -19.349 641 HH TYR 90 HH TYR 90 -5.286 2.188 -22.534 642 H GLY 91 H GLY 91 0.743 -1.968 -21.832 643 HA2 GLY 91 HA2 GLY 91 1.865 -1.175 -23.700 644 HA3 GLY 91 HA3 GLY 91 0.883 -2.225 -24.692 645 H GLY 92 H GLY 92 1.181 -0.380 -26.139 646 HA2 GLY 92 HA2 GLY 92 -0.358 2.061 -25.979 647 HA3 GLY 92 HA3 GLY 92 0.297 1.318 -27.425 Start of MODEL 13 1 H1 MET 1 H1 MET 1 18.727 1.656 -16.151 2 H2 MET 1 H2 MET 1 18.644 0.662 -17.448 3 H3 MET 1 H3 MET 1 19.198 0.080 -16.021 4 HA MET 1 HA MET 1 16.935 -0.664 -16.496 5 HB2 MET 1 HB2 MET 1 17.254 1.210 -14.116 6 HB3 MET 1 HB3 MET 1 15.863 0.148 -14.362 7 HG2 MET 1 HG2 MET 1 18.733 -0.698 -13.904 8 HG3 MET 1 HG3 MET 1 17.359 -0.903 -12.827 9 HE1 MET 1 HE1 MET 1 17.885 -3.421 -12.417 10 HE2 MET 1 HE2 MET 1 18.191 -4.598 -13.711 11 HE3 MET 1 HE3 MET 1 19.334 -3.264 -13.438 12 H ALA 2 H ALA 2 14.713 -0.114 -16.814 13 HA ALA 2 HA ALA 2 14.125 2.760 -17.403 14 HB1 ALA 2 HB1 ALA 2 13.521 0.378 -19.204 15 HB2 ALA 2 HB2 ALA 2 13.038 2.061 -19.487 16 HB3 ALA 2 HB3 ALA 2 14.754 1.622 -19.488 17 H GLU 3 H GLU 3 12.884 3.028 -15.523 18 HA GLU 3 HA GLU 3 10.649 1.228 -14.931 19 HB2 GLU 3 HB2 GLU 3 10.134 2.783 -13.140 20 HB3 GLU 3 HB3 GLU 3 11.738 2.083 -13.064 21 HG2 GLU 3 HG2 GLU 3 11.410 4.839 -14.300 22 HG3 GLU 3 HG3 GLU 3 11.298 4.613 -12.564 23 H SER 4 H SER 4 9.614 1.335 -17.010 24 HA SER 4 HA SER 4 8.016 3.765 -17.577 25 HB2 SER 4 HB2 SER 4 7.486 2.477 -19.708 26 HB3 SER 4 HB3 SER 4 9.151 3.008 -19.455 27 HG SER 4 HG SER 4 8.080 0.393 -19.213 28 H ASP 5 H ASP 5 5.731 3.317 -18.457 29 HA ASP 5 HA ASP 5 4.199 2.941 -16.188 30 HB2 ASP 5 HB2 ASP 5 3.181 2.574 -19.032 31 HB3 ASP 5 HB3 ASP 5 2.227 3.043 -17.626 32 H GLY 6 H GLY 6 5.141 0.361 -18.357 33 HA2 GLY 6 HA2 GLY 6 3.171 -1.542 -17.224 34 HA3 GLY 6 HA3 GLY 6 4.217 -1.800 -18.623 35 H ALA 7 H ALA 7 6.388 -0.562 -16.551 36 HA ALA 7 HA ALA 7 7.059 -3.063 -15.113 37 HB1 ALA 7 HB1 ALA 7 9.189 -3.276 -16.318 38 HB2 ALA 7 HB2 ALA 7 7.833 -3.386 -17.449 39 HB3 ALA 7 HB3 ALA 7 8.776 -1.882 -17.343 40 H GLU 8 H GLU 8 6.368 -0.974 -13.721 41 HA GLU 8 HA GLU 8 8.885 0.253 -12.697 42 HB2 GLU 8 HB2 GLU 8 7.649 2.264 -12.167 43 HB3 GLU 8 HB3 GLU 8 7.665 1.933 -13.892 44 HG2 GLU 8 HG2 GLU 8 5.310 1.033 -13.719 45 HG3 GLU 8 HG3 GLU 8 5.317 1.423 -12.006 46 H TYR 9 H TYR 9 8.674 1.107 -10.405 47 HA TYR 9 HA TYR 9 8.103 -1.359 -8.955 48 HB2 TYR 9 HB2 TYR 9 9.491 1.073 -7.853 49 HB3 TYR 9 HB3 TYR 9 9.724 -0.614 -7.432 50 HD1 TYR 9 HD2 TYR 9 10.247 -1.956 -10.016 51 HD2 TYR 9 HD1 TYR 9 11.434 1.970 -8.674 52 HE1 TYR 9 HE2 TYR 9 12.161 -1.986 -11.604 53 HE2 TYR 9 HE1 TYR 9 13.369 1.917 -10.238 54 HH TYR 9 HH TYR 9 14.170 -0.993 -12.123 55 H ARG 10 H ARG 10 5.758 -1.090 -8.998 56 HA ARG 10 HA ARG 10 4.746 0.400 -6.616 57 HB2 ARG 10 HB2 ARG 10 4.349 1.732 -8.650 58 HB3 ARG 10 HB3 ARG 10 3.498 0.379 -9.395 59 HG2 ARG 10 HG2 ARG 10 1.677 0.557 -7.802 60 HG3 ARG 10 HG3 ARG 10 2.585 1.699 -6.804 61 HD2 ARG 10 HD2 ARG 10 0.852 2.844 -8.099 62 HD3 ARG 10 HD3 ARG 10 2.464 3.422 -8.496 63 HE ARG 10 HE ARG 10 0.782 1.602 -10.216 64 HH11 ARG 10 HH11 ARG 10 3.276 4.190 -10.172 65 HH12 ARG 10 HH12 ARG 10 3.512 3.924 -11.891 66 HH21 ARG 10 HH21 ARG 10 1.220 1.535 -12.348 67 HH22 ARG 10 HH22 ARG 10 2.521 2.547 -13.005 68 H CYS 11 H CYS 11 3.211 -0.595 -5.397 69 HA CYS 11 HA CYS 11 2.046 -3.165 -6.317 70 HB2 CYS 11 HB2 CYS 11 2.846 -4.367 -4.377 71 HB3 CYS 11 HB3 CYS 11 4.208 -3.683 -5.264 72 HG CYS 11 HG CYS 11 2.704 -2.262 -2.662 73 H PHE 12 H PHE 12 0.392 -4.027 -5.042 74 HA PHE 12 HA PHE 12 -1.571 -2.106 -4.011 75 HB2 PHE 12 HB2 PHE 12 -2.207 -3.810 -5.652 76 HB3 PHE 12 HB3 PHE 12 -1.543 -5.080 -4.641 77 HD1 PHE 12 HD2 PHE 12 -4.294 -2.579 -4.885 78 HD2 PHE 12 HD1 PHE 12 -2.798 -6.096 -2.881 79 HE1 PHE 12 HE2 PHE 12 -6.511 -2.939 -3.837 80 HE2 PHE 12 HE1 PHE 12 -5.011 -6.420 -1.799 81 HZ PHE 12 HZ PHE 12 -6.870 -4.847 -2.284 82 H VAL 13 H VAL 13 -2.547 -2.249 -1.990 83 HA VAL 13 HA VAL 13 -1.444 -4.017 0.117 84 HB VAL 13 HB VAL 13 -1.594 -1.790 1.577 85 HG11 VAL 13 HG11 VAL 13 0.310 -3.276 1.476 86 HG12 VAL 13 HG12 VAL 13 0.827 -2.557 -0.072 87 HG13 VAL 13 HG13 VAL 13 0.822 -1.578 1.414 88 HG21 VAL 13 HG21 VAL 13 -0.560 0.141 0.511 89 HG22 VAL 13 HG22 VAL 13 -0.623 -0.642 -1.068 90 HG23 VAL 13 HG23 VAL 13 -2.131 -0.217 -0.218 91 H GLY 14 H GLY 14 -3.047 -4.831 1.390 92 HA2 GLY 14 HA2 GLY 14 -5.553 -3.190 1.776 93 HA3 GLY 14 HA3 GLY 14 -5.594 -4.916 1.485 94 H SER 15 H SER 15 -6.017 -2.733 3.750 95 HA SER 15 HA SER 15 -6.049 -4.438 6.045 96 HB2 SER 15 HB2 SER 15 -3.577 -2.783 5.741 97 HB3 SER 15 HB3 SER 15 -4.400 -2.573 7.278 98 HG SER 15 HG SER 15 -3.107 -4.280 7.600 99 H LEU 16 H LEU 16 -6.602 -1.393 4.532 100 HA LEU 16 HA LEU 16 -6.325 0.231 6.831 101 HB2 LEU 16 HB2 LEU 16 -7.597 1.078 4.225 102 HB3 LEU 16 HB3 LEU 16 -6.784 2.104 5.336 103 HG LEU 16 HG LEU 16 -5.573 0.060 3.452 104 HD11 LEU 16 HD11 LEU 16 -6.443 2.340 2.732 105 HD12 LEU 16 HD12 LEU 16 -4.723 2.033 2.379 106 HD13 LEU 16 HD13 LEU 16 -5.184 3.059 3.752 107 HD21 LEU 16 HD21 LEU 16 -4.123 1.780 5.508 108 HD22 LEU 16 HD22 LEU 16 -3.373 0.813 4.218 109 HD23 LEU 16 HD23 LEU 16 -4.238 0.007 5.537 110 H SER 17 H SER 17 -7.704 1.903 7.441 111 HA SER 17 HA SER 17 -10.553 1.093 7.919 112 HB2 SER 17 HB2 SER 17 -9.030 1.250 9.898 113 HB3 SER 17 HB3 SER 17 -8.767 2.961 9.518 114 HG SER 17 HG SER 17 -11.062 1.652 10.473 115 H TRP 18 H TRP 18 -12.120 2.971 8.101 116 HA TRP 18 HA TRP 18 -12.068 4.995 6.137 117 HB2 TRP 18 HB2 TRP 18 -13.801 6.070 7.446 118 HB3 TRP 18 HB3 TRP 18 -14.051 4.335 7.381 119 HD1 TRP 18 HD1 TRP 18 -14.204 3.041 9.580 120 HE1 TRP 18 HE1 TRP 18 -14.163 3.608 12.063 121 HE3 TRP 18 HE3 TRP 18 -12.788 7.951 9.231 122 HZ2 TRP 18 HZ2 TRP 18 -13.453 5.885 13.711 123 HZ3 TRP 18 HZ3 TRP 18 -12.455 9.303 11.288 124 HH2 TRP 18 HH2 TRP 18 -12.774 8.280 13.528 125 H ASN 19 H ASN 19 -10.099 4.919 9.015 126 HA ASN 19 HA ASN 19 -9.293 7.759 8.502 127 HB2 ASN 19 HB2 ASN 19 -8.470 7.794 10.821 128 HB3 ASN 19 HB3 ASN 19 -10.194 7.558 10.672 129 HD21 ASN 19 HD21 ASN 19 -11.047 6.029 11.956 130 HD22 ASN 19 HD22 ASN 19 -10.137 4.741 12.713 131 H THR 20 H THR 20 -7.886 4.516 8.369 132 HA THR 20 HA THR 20 -5.124 5.514 8.431 133 HB THR 20 HB THR 20 -5.779 2.943 7.045 134 HG1 THR 20 HG1 THR 20 -5.658 2.803 9.811 135 HG21 THR 20 HG21 THR 20 -3.436 3.639 7.328 136 HG22 THR 20 HG22 THR 20 -3.786 2.167 8.241 137 HG23 THR 20 HG23 THR 20 -3.666 3.730 9.088 138 H ASP 21 H ASP 21 -3.826 6.098 6.573 139 HA ASP 21 HA ASP 21 -4.982 5.453 3.971 140 HB2 ASP 21 HB2 ASP 21 -5.171 7.770 3.198 141 HB3 ASP 21 HB3 ASP 21 -6.142 7.534 4.629 142 H ASP 22 H ASP 22 -3.648 7.099 2.315 143 HA ASP 22 HA ASP 22 -1.343 5.692 1.684 144 HB2 ASP 22 HB2 ASP 22 -0.980 7.631 0.096 145 HB3 ASP 22 HB3 ASP 22 -2.543 6.836 0.036 146 H ARG 23 H ARG 23 -1.579 8.321 3.961 147 HA ARG 23 HA ARG 23 1.285 9.014 3.876 148 HB2 ARG 23 HB2 ARG 23 -0.496 10.657 4.295 149 HB3 ARG 23 HB3 ARG 23 -0.896 9.858 5.825 150 HG2 ARG 23 HG2 ARG 23 1.254 10.434 6.771 151 HG3 ARG 23 HG3 ARG 23 1.884 10.916 5.194 152 HD2 ARG 23 HD2 ARG 23 0.063 12.707 5.125 153 HD3 ARG 23 HD3 ARG 23 -0.265 12.339 6.817 154 HE ARG 23 HE ARG 23 2.208 13.553 5.659 155 HH11 ARG 23 HH11 ARG 23 0.706 12.429 8.669 156 HH12 ARG 23 HH12 ARG 23 1.891 13.368 9.587 157 HH21 ARG 23 HH21 ARG 23 3.626 14.477 6.908 158 HH22 ARG 23 HH22 ARG 23 3.481 14.418 8.665 159 H GLY 24 H GLY 24 -0.799 7.073 6.005 160 HA2 GLY 24 HA2 GLY 24 1.315 6.346 7.884 161 HA3 GLY 24 HA3 GLY 24 -0.281 5.597 7.713 162 H LEU 25 H LEU 25 -0.236 4.762 5.057 163 HA LEU 25 HA LEU 25 1.443 2.467 4.835 164 HB2 LEU 25 HB2 LEU 25 0.114 4.268 2.770 165 HB3 LEU 25 HB3 LEU 25 1.047 2.856 2.296 166 HG LEU 25 HG LEU 25 -1.391 2.697 4.116 167 HD11 LEU 25 HD11 LEU 25 -2.118 3.477 1.953 168 HD12 LEU 25 HD12 LEU 25 -2.459 1.743 2.022 169 HD13 LEU 25 HD13 LEU 25 -1.060 2.334 1.106 170 HD21 LEU 25 HD21 LEU 25 0.078 0.784 4.418 171 HD22 LEU 25 HD22 LEU 25 0.310 0.612 2.666 172 HD23 LEU 25 HD23 LEU 25 -1.266 0.267 3.404 173 H GLU 26 H GLU 26 2.006 5.733 3.374 174 HA GLU 26 HA GLU 26 4.545 5.252 2.292 175 HB2 GLU 26 HB2 GLU 26 3.325 7.239 1.804 176 HB3 GLU 26 HB3 GLU 26 3.257 7.710 3.499 177 HG2 GLU 26 HG2 GLU 26 5.754 8.093 3.438 178 HG3 GLU 26 HG3 GLU 26 5.695 7.782 1.694 179 H ALA 27 H ALA 27 3.829 6.194 5.717 180 HA ALA 27 HA ALA 27 6.596 6.438 6.431 181 HB1 ALA 27 HB1 ALA 27 5.704 6.409 8.751 182 HB2 ALA 27 HB2 ALA 27 4.735 7.471 7.709 183 HB3 ALA 27 HB3 ALA 27 4.128 5.862 8.151 184 H ALA 28 H ALA 28 4.340 3.669 6.724 185 HA ALA 28 HA ALA 28 6.209 1.910 8.021 186 HB1 ALA 28 HB1 ALA 28 3.694 1.371 6.380 187 HB2 ALA 28 HB2 ALA 28 4.536 0.175 7.392 188 HB3 ALA 28 HB3 ALA 28 3.790 1.593 8.142 189 H PHE 29 H PHE 29 5.342 2.350 4.545 190 HA PHE 29 HA PHE 29 7.243 0.330 3.653 191 HB2 PHE 29 HB2 PHE 29 5.489 2.367 2.278 192 HB3 PHE 29 HB3 PHE 29 6.744 1.520 1.397 193 HD1 PHE 29 HD2 PHE 29 3.802 0.755 3.665 194 HD2 PHE 29 HD1 PHE 29 6.333 -0.562 0.444 195 HE1 PHE 29 HE2 PHE 29 2.394 -1.257 3.372 196 HE2 PHE 29 HE1 PHE 29 4.921 -2.571 0.145 197 HZ PHE 29 HZ PHE 29 2.959 -2.934 1.626 198 H SER 30 H SER 30 7.549 3.815 4.331 199 HA SER 30 HA SER 30 9.984 4.191 2.966 200 HB2 SER 30 HB2 SER 30 8.961 5.534 5.483 201 HB3 SER 30 HB3 SER 30 10.448 6.006 4.644 202 HG SER 30 HG SER 30 7.798 5.995 3.641 203 H SER 31 H SER 31 9.415 2.239 5.779 204 HA SER 31 HA SER 31 12.029 2.112 6.927 205 HB2 SER 31 HB2 SER 31 9.912 1.160 7.854 206 HB3 SER 31 HB3 SER 31 9.972 -0.111 6.620 207 HG SER 31 HG SER 31 11.678 -1.000 7.555 208 H PHE 32 H PHE 32 10.901 0.936 3.802 209 HA PHE 32 HA PHE 32 13.358 -0.708 3.444 210 HB2 PHE 32 HB2 PHE 32 10.816 -0.507 1.808 211 HB3 PHE 32 HB3 PHE 32 12.214 -1.491 1.393 212 HD1 PHE 32 HD2 PHE 32 12.938 -3.381 2.847 213 HD2 PHE 32 HD1 PHE 32 9.276 -1.232 3.580 214 HE1 PHE 32 HE2 PHE 32 12.136 -5.241 4.277 215 HE2 PHE 32 HE1 PHE 32 8.488 -3.082 5.039 216 HZ PHE 32 HZ PHE 32 9.898 -5.107 5.357 217 H GLY 33 H GLY 33 11.903 2.298 2.169 218 HA2 GLY 33 HA2 GLY 33 14.359 3.237 1.020 219 HA3 GLY 33 HA3 GLY 33 13.375 2.494 -0.242 220 H GLU 34 H GLU 34 13.439 4.770 -1.139 221 HA GLU 34 HA GLU 34 11.622 6.655 0.260 222 HB2 GLU 34 HB2 GLU 34 13.784 7.498 -0.556 223 HB3 GLU 34 HB3 GLU 34 13.313 7.103 -2.209 224 HG2 GLU 34 HG2 GLU 34 12.997 9.472 -1.775 225 HG3 GLU 34 HG3 GLU 34 11.446 8.729 -2.087 226 H ILE 35 H ILE 35 9.829 7.580 -0.616 227 HA ILE 35 HA ILE 35 8.312 5.798 -2.437 228 HB ILE 35 HB ILE 35 7.497 7.765 -0.277 229 HG12 ILE 35 HG12 ILE 35 8.216 5.634 0.622 230 HG13 ILE 35 HG13 ILE 35 6.475 5.773 0.782 231 HG21 ILE 35 HG21 ILE 35 5.807 8.061 -1.960 232 HG22 ILE 35 HG22 ILE 35 5.626 6.311 -2.190 233 HG23 ILE 35 HG23 ILE 35 5.129 7.077 -0.669 234 HD11 ILE 35 HD11 ILE 35 6.914 3.541 0.096 235 HD12 ILE 35 HD12 ILE 35 6.275 4.364 -1.360 236 HD13 ILE 35 HD13 ILE 35 8.014 4.049 -1.186 237 H LEU 36 H LEU 36 7.325 6.403 -4.185 238 HA LEU 36 HA LEU 36 7.713 9.164 -5.266 239 HB2 LEU 36 HB2 LEU 36 6.699 6.642 -6.634 240 HB3 LEU 36 HB3 LEU 36 6.998 8.195 -7.397 241 HG LEU 36 HG LEU 36 9.083 6.340 -6.215 242 HD11 LEU 36 HD11 LEU 36 8.503 7.238 -9.070 243 HD12 LEU 36 HD12 LEU 36 8.127 5.642 -8.381 244 HD13 LEU 36 HD13 LEU 36 9.813 6.151 -8.568 245 HD21 LEU 36 HD21 LEU 36 9.869 8.631 -5.880 246 HD22 LEU 36 HD22 LEU 36 9.482 9.029 -7.573 247 HD23 LEU 36 HD23 LEU 36 10.769 7.875 -7.197 248 H ASP 37 H ASP 37 5.135 6.805 -4.378 249 HA ASP 37 HA ASP 37 3.239 8.845 -3.819 250 HB2 ASP 37 HB2 ASP 37 1.553 8.290 -5.638 251 HB3 ASP 37 HB3 ASP 37 2.885 9.328 -6.091 252 H ALA 38 H ALA 38 1.141 8.095 -3.183 253 HA ALA 38 HA ALA 38 0.646 5.211 -3.100 254 HB1 ALA 38 HB1 ALA 38 0.191 5.297 -0.622 255 HB2 ALA 38 HB2 ALA 38 1.897 5.474 -1.068 256 HB3 ALA 38 HB3 ALA 38 0.970 6.903 -0.598 257 H LYS 39 H LYS 39 -1.508 4.643 -2.642 258 HA LYS 39 HA LYS 39 -3.553 6.797 -3.107 259 HB2 LYS 39 HB2 LYS 39 -3.191 5.405 -5.132 260 HB3 LYS 39 HB3 LYS 39 -3.474 3.951 -4.198 261 HG2 LYS 39 HG2 LYS 39 -5.407 4.433 -5.540 262 HG3 LYS 39 HG3 LYS 39 -5.875 4.601 -3.850 263 HD2 LYS 39 HD2 LYS 39 -5.591 7.100 -4.082 264 HD3 LYS 39 HD3 LYS 39 -5.098 6.878 -5.770 265 HE2 LYS 39 HE2 LYS 39 -7.325 5.900 -6.285 266 HE3 LYS 39 HE3 LYS 39 -7.801 6.118 -4.589 267 HZ1 LYS 39 HZ1 LYS 39 -7.408 8.532 -4.904 268 HZ2 LYS 39 HZ2 LYS 39 -8.601 7.966 -5.874 269 HZ3 LYS 39 HZ3 LYS 39 -7.135 8.277 -6.516 270 H ILE 40 H ILE 40 -5.383 6.752 -1.895 271 HA ILE 40 HA ILE 40 -6.027 4.288 -0.340 272 HB ILE 40 HB ILE 40 -5.349 6.491 0.917 273 HG12 ILE 40 HG12 ILE 40 -5.964 4.620 2.131 274 HG13 ILE 40 HG13 ILE 40 -6.807 6.011 2.789 275 HG21 ILE 40 HG21 ILE 40 -6.918 8.007 -0.270 276 HG22 ILE 40 HG22 ILE 40 -8.287 7.159 0.470 277 HG23 ILE 40 HG23 ILE 40 -7.119 8.023 1.483 278 HD11 ILE 40 HD11 ILE 40 -8.907 5.216 1.613 279 HD12 ILE 40 HD12 ILE 40 -8.025 3.691 1.295 280 HD13 ILE 40 HD13 ILE 40 -8.310 4.219 2.949 281 H ILE 41 H ILE 41 -8.141 3.507 -0.611 282 HA ILE 41 HA ILE 41 -10.039 5.328 -2.018 283 HB ILE 41 HB ILE 41 -9.643 3.777 -3.642 284 HG12 ILE 41 HG12 ILE 41 -11.773 2.616 -3.964 285 HG13 ILE 41 HG13 ILE 41 -12.223 2.923 -2.285 286 HG21 ILE 41 HG21 ILE 41 -9.612 1.712 -1.469 287 HG22 ILE 41 HG22 ILE 41 -10.077 1.232 -3.102 288 HG23 ILE 41 HG23 ILE 41 -8.490 2.019 -2.814 289 HD11 ILE 41 HD11 ILE 41 -13.260 4.490 -3.946 290 HD12 ILE 41 HD12 ILE 41 -12.326 5.333 -2.705 291 HD13 ILE 41 HD13 ILE 41 -11.641 5.113 -4.325 292 H ASN 42 H ASN 42 -11.272 6.173 -0.716 293 HA ASN 42 HA ASN 42 -13.175 4.633 0.869 294 HB2 ASN 42 HB2 ASN 42 -11.417 4.935 2.551 295 HB3 ASN 42 HB3 ASN 42 -11.247 6.624 2.068 296 HD21 ASN 42 HD21 ASN 42 -11.649 7.464 4.149 297 HD22 ASN 42 HD22 ASN 42 -13.249 7.363 4.874 298 H ASP 43 H ASP 43 -14.815 5.472 -0.490 299 HA ASP 43 HA ASP 43 -14.858 8.383 -1.033 300 HB2 ASP 43 HB2 ASP 43 -15.606 6.797 -2.799 301 HB3 ASP 43 HB3 ASP 43 -16.972 6.349 -1.760 302 H ARG 44 H ARG 44 -15.576 9.775 0.414 303 HA ARG 44 HA ARG 44 -17.467 9.004 2.535 304 HB2 ARG 44 HB2 ARG 44 -17.223 11.355 3.306 305 HB3 ARG 44 HB3 ARG 44 -15.768 10.377 3.276 306 HG2 ARG 44 HG2 ARG 44 -15.162 12.547 2.567 307 HG3 ARG 44 HG3 ARG 44 -15.059 11.490 1.164 308 HD2 ARG 44 HD2 ARG 44 -17.249 12.392 0.369 309 HD3 ARG 44 HD3 ARG 44 -17.322 13.408 1.827 310 HE ARG 44 HE ARG 44 -14.881 13.858 0.345 311 HH11 ARG 44 HH11 ARG 44 -18.326 14.583 0.158 312 HH12 ARG 44 HH12 ARG 44 -18.025 16.060 -0.748 313 HH21 ARG 44 HH21 ARG 44 -14.647 15.865 -0.715 314 HH22 ARG 44 HH22 ARG 44 -16.108 16.734 -1.192 315 H GLU 45 H GLU 45 -17.926 10.069 -0.675 316 HA GLU 45 HA GLU 45 -20.491 11.364 -0.209 317 HB2 GLU 45 HB2 GLU 45 -18.889 11.653 -2.163 318 HB3 GLU 45 HB3 GLU 45 -19.466 10.114 -2.789 319 HG2 GLU 45 HG2 GLU 45 -21.337 12.424 -2.113 320 HG3 GLU 45 HG3 GLU 45 -20.461 12.374 -3.631 321 H THR 46 H THR 46 -19.650 8.228 -1.729 322 HA THR 46 HA THR 46 -22.357 7.193 -1.279 323 HB THR 46 HB THR 46 -21.655 5.313 -2.667 324 HG1 THR 46 HG1 THR 46 -19.200 6.703 -2.965 325 HG21 THR 46 HG21 THR 46 -22.488 7.317 -3.819 326 HG22 THR 46 HG22 THR 46 -21.235 6.500 -4.761 327 HG23 THR 46 HG23 THR 46 -20.844 7.987 -3.881 328 H GLY 47 H GLY 47 -19.544 7.011 0.623 329 HA2 GLY 47 HA2 GLY 47 -19.452 6.110 2.742 330 HA3 GLY 47 HA3 GLY 47 -20.963 5.254 2.459 331 H ARG 48 H ARG 48 -18.172 4.828 0.364 332 HA ARG 48 HA ARG 48 -17.879 1.993 1.299 333 HB2 ARG 48 HB2 ARG 48 -16.757 1.653 -0.950 334 HB3 ARG 48 HB3 ARG 48 -18.501 1.907 -0.944 335 HG2 ARG 48 HG2 ARG 48 -18.307 4.137 -1.723 336 HG3 ARG 48 HG3 ARG 48 -16.571 4.185 -1.471 337 HD2 ARG 48 HD2 ARG 48 -17.240 4.024 -3.866 338 HD3 ARG 48 HD3 ARG 48 -16.103 2.806 -3.296 339 HE ARG 48 HE ARG 48 -17.577 1.223 -4.046 340 HH11 ARG 48 HH11 ARG 48 -19.644 4.054 -3.419 341 HH12 ARG 48 HH12 ARG 48 -21.055 3.098 -3.854 342 HH21 ARG 48 HH21 ARG 48 -19.510 0.202 -4.500 343 HH22 ARG 48 HH22 ARG 48 -21.007 1.091 -4.233 344 H SER 49 H SER 49 -16.518 2.361 3.059 345 HA SER 49 HA SER 49 -13.749 3.274 2.503 346 HB2 SER 49 HB2 SER 49 -14.696 1.829 5.010 347 HB3 SER 49 HB3 SER 49 -13.224 2.760 4.748 348 HG SER 49 HG SER 49 -14.647 4.582 4.282 349 H ARG 50 H ARG 50 -12.809 2.021 0.977 350 HA ARG 50 HA ARG 50 -13.446 -0.845 0.730 351 HB2 ARG 50 HB2 ARG 50 -11.683 1.096 -0.785 352 HB3 ARG 50 HB3 ARG 50 -11.628 -0.610 -1.127 353 HG2 ARG 50 HG2 ARG 50 -14.214 1.006 -1.310 354 HG3 ARG 50 HG3 ARG 50 -13.068 0.809 -2.637 355 HD2 ARG 50 HD2 ARG 50 -14.519 -0.875 -3.126 356 HD3 ARG 50 HD3 ARG 50 -13.240 -1.707 -2.274 357 HE ARG 50 HE ARG 50 -14.695 -2.024 -0.386 358 HH11 ARG 50 HH11 ARG 50 -16.475 -0.687 -3.139 359 HH12 ARG 50 HH12 ARG 50 -18.005 -1.095 -2.377 360 HH21 ARG 50 HH21 ARG 50 -16.619 -2.217 0.538 361 HH22 ARG 50 HH22 ARG 50 -18.096 -1.980 -0.379 362 H GLY 51 H GLY 51 -10.852 1.041 2.098 363 HA2 GLY 51 HA2 GLY 51 -9.353 0.393 3.658 364 HA3 GLY 51 HA3 GLY 51 -9.975 -1.223 3.682 365 H PHE 52 H PHE 52 -8.717 0.229 0.714 366 HA PHE 52 HA PHE 52 -6.136 -1.105 0.957 367 HB2 PHE 52 HB2 PHE 52 -6.353 -2.293 -1.199 368 HB3 PHE 52 HB3 PHE 52 -7.317 -2.943 0.083 369 HD1 PHE 52 HD1 PHE 52 -7.558 -0.698 -2.937 370 HD2 PHE 52 HD2 PHE 52 -9.572 -3.491 -0.339 371 HE1 PHE 52 HE1 PHE 52 -9.456 -0.820 -4.530 372 HE2 PHE 52 HE2 PHE 52 -11.458 -3.615 -1.937 373 HZ PHE 52 HZ PHE 52 -11.412 -2.278 -4.036 374 H GLY 53 H GLY 53 -4.816 -0.753 -1.076 375 HA2 GLY 53 HA2 GLY 53 -5.177 1.758 -2.517 376 HA3 GLY 53 HA3 GLY 53 -4.120 1.872 -1.099 377 H PHE 54 H PHE 54 -2.824 2.554 -3.096 378 HA PHE 54 HA PHE 54 -1.058 0.284 -3.827 379 HB2 PHE 54 HB2 PHE 54 -1.652 2.718 -5.541 380 HB3 PHE 54 HB3 PHE 54 -0.394 1.534 -5.865 381 HD1 PHE 54 HD2 PHE 54 -1.048 -0.909 -6.236 382 HD2 PHE 54 HD1 PHE 54 -3.917 2.302 -6.280 383 HE1 PHE 54 HE2 PHE 54 -2.673 -2.370 -7.445 384 HE2 PHE 54 HE1 PHE 54 -5.538 0.831 -7.447 385 HZ PHE 54 HZ PHE 54 -4.917 -1.502 -8.033 386 H VAL 55 H VAL 55 1.214 0.795 -3.893 387 HA VAL 55 HA VAL 55 2.113 3.422 -2.914 388 HB VAL 55 HB VAL 55 1.800 2.185 -0.864 389 HG11 VAL 55 HG11 VAL 55 2.063 -0.141 -1.687 390 HG12 VAL 55 HG12 VAL 55 3.809 0.138 -1.873 391 HG13 VAL 55 HG13 VAL 55 3.052 0.203 -0.267 392 HG21 VAL 55 HG21 VAL 55 3.707 3.775 -1.058 393 HG22 VAL 55 HG22 VAL 55 3.961 2.489 0.135 394 HG23 VAL 55 HG23 VAL 55 4.774 2.400 -1.437 395 H SER 56 H SER 56 4.118 4.017 -3.663 396 HA SER 56 HA SER 56 5.405 2.236 -5.695 397 HB2 SER 56 HB2 SER 56 3.710 3.970 -6.535 398 HB3 SER 56 HB3 SER 56 4.848 5.203 -5.989 399 HG SER 56 HG SER 56 5.109 4.581 -8.203 400 H PHE 57 H PHE 57 7.587 2.368 -5.958 401 HA PHE 57 HA PHE 57 9.140 3.958 -3.948 402 HB2 PHE 57 HB2 PHE 57 9.515 1.184 -5.112 403 HB3 PHE 57 HB3 PHE 57 10.827 2.045 -4.344 404 HD1 PHE 57 HD1 PHE 57 10.732 2.720 -1.943 405 HD2 PHE 57 HD2 PHE 57 7.858 0.059 -3.743 406 HE1 PHE 57 HE1 PHE 57 10.208 1.774 0.295 407 HE2 PHE 57 HE2 PHE 57 7.376 -0.923 -1.519 408 HZ PHE 57 HZ PHE 57 8.581 -0.080 0.507 409 H SER 58 H SER 58 11.177 4.781 -4.444 410 HA SER 58 HA SER 58 11.710 5.496 -7.215 411 HB2 SER 58 HB2 SER 58 13.614 6.679 -6.372 412 HB3 SER 58 HB3 SER 58 12.241 6.986 -5.297 413 HG SER 58 HG SER 58 14.525 6.285 -4.509 414 H ASN 59 H ASN 59 12.371 2.629 -5.538 415 HA ASN 59 HA ASN 59 14.356 1.733 -7.541 416 HB2 ASN 59 HB2 ASN 59 14.711 1.564 -4.512 417 HB3 ASN 59 HB3 ASN 59 15.667 0.652 -5.669 418 HD21 ASN 59 HD21 ASN 59 16.762 2.019 -7.430 419 HD22 ASN 59 HD22 ASN 59 17.529 3.492 -6.813 420 H GLU 60 H GLU 60 14.564 -0.502 -7.726 421 HA GLU 60 HA GLU 60 12.102 -2.003 -7.388 422 HB2 GLU 60 HB2 GLU 60 13.726 -2.115 -9.345 423 HB3 GLU 60 HB3 GLU 60 14.831 -2.995 -8.308 424 HG2 GLU 60 HG2 GLU 60 13.282 -4.843 -8.077 425 HG3 GLU 60 HG3 GLU 60 11.969 -3.908 -8.801 426 H GLN 61 H GLN 61 15.369 -2.262 -5.874 427 HA GLN 61 HA GLN 61 14.763 -4.775 -4.656 428 HB2 GLN 61 HB2 GLN 61 17.023 -3.968 -5.244 429 HB3 GLN 61 HB3 GLN 61 16.930 -2.766 -3.957 430 HG2 GLN 61 HG2 GLN 61 18.255 -4.727 -3.278 431 HG3 GLN 61 HG3 GLN 61 16.825 -4.540 -2.267 432 HE21 GLN 61 HE21 GLN 61 15.818 -6.460 -1.830 433 HE22 GLN 61 HE22 GLN 61 15.705 -7.790 -3.003 434 H ALA 62 H ALA 62 14.587 -1.438 -3.313 435 HA ALA 62 HA ALA 62 13.618 -2.070 -0.753 436 HB1 ALA 62 HB1 ALA 62 12.559 0.175 -0.872 437 HB2 ALA 62 HB2 ALA 62 14.226 0.193 -1.482 438 HB3 ALA 62 HB3 ALA 62 12.858 0.224 -2.622 439 H MET 63 H MET 63 11.708 -1.848 -3.823 440 HA MET 63 HA MET 63 9.161 -2.389 -2.616 441 HB2 MET 63 HB2 MET 63 9.482 -1.454 -4.920 442 HB3 MET 63 HB3 MET 63 10.128 -3.009 -5.436 443 HG2 MET 63 HG2 MET 63 7.897 -4.046 -4.693 444 HG3 MET 63 HG3 MET 63 7.311 -2.397 -4.495 445 HE1 MET 63 HE1 MET 63 9.660 -3.942 -7.429 446 HE2 MET 63 HE2 MET 63 8.505 -5.209 -6.948 447 HE3 MET 63 HE3 MET 63 8.369 -4.433 -8.540 448 H GLN 64 H GLN 64 11.663 -4.590 -3.944 449 HA GLN 64 HA GLN 64 9.998 -6.951 -3.644 450 HB2 GLN 64 HB2 GLN 64 12.983 -6.602 -4.089 451 HB3 GLN 64 HB3 GLN 64 12.140 -8.160 -3.997 452 HG2 GLN 64 HG2 GLN 64 10.747 -7.596 -5.929 453 HG3 GLN 64 HG3 GLN 64 11.501 -6.006 -6.055 454 HE21 GLN 64 HE21 GLN 64 11.553 -7.663 -8.302 455 HE22 GLN 64 HE22 GLN 64 13.212 -8.222 -8.516 456 H ASP 65 H ASP 65 12.640 -5.547 -1.645 457 HA ASP 65 HA ASP 65 12.551 -7.543 0.431 458 HB2 ASP 65 HB2 ASP 65 13.476 -4.646 0.299 459 HB3 ASP 65 HB3 ASP 65 13.402 -5.505 1.832 460 H ALA 66 H ALA 66 10.552 -4.574 -0.116 461 HA ALA 66 HA ALA 66 9.145 -4.775 2.345 462 HB1 ALA 66 HB1 ALA 66 8.283 -3.617 -0.342 463 HB2 ALA 66 HB2 ALA 66 7.546 -3.311 1.234 464 HB3 ALA 66 HB3 ALA 66 9.194 -2.766 0.920 465 H ILE 67 H ILE 67 8.087 -5.896 -0.924 466 HA ILE 67 HA ILE 67 5.853 -7.399 -0.158 467 HB ILE 67 HB ILE 67 7.852 -7.834 -2.396 468 HG12 ILE 67 HG12 ILE 67 6.603 -5.701 -2.509 469 HG13 ILE 67 HG13 ILE 67 6.228 -6.778 -3.837 470 HG21 ILE 67 HG21 ILE 67 6.026 -9.155 -3.540 471 HG22 ILE 67 HG22 ILE 67 6.816 -9.970 -2.199 472 HG23 ILE 67 HG23 ILE 67 5.201 -9.265 -1.971 473 HD11 ILE 67 HD11 ILE 67 4.231 -5.643 -3.050 474 HD12 ILE 67 HD12 ILE 67 4.066 -7.369 -2.721 475 HD13 ILE 67 HD13 ILE 67 4.476 -6.234 -1.404 476 H GLU 68 H GLU 68 9.255 -8.587 -0.139 477 HA GLU 68 HA GLU 68 8.608 -11.241 0.681 478 HB2 GLU 68 HB2 GLU 68 10.754 -10.397 -0.362 479 HB3 GLU 68 HB3 GLU 68 11.219 -9.781 1.227 480 HG2 GLU 68 HG2 GLU 68 11.183 -12.064 2.141 481 HG3 GLU 68 HG3 GLU 68 10.482 -12.689 0.643 482 H GLY 69 H GLY 69 8.539 -8.376 2.627 483 HA2 GLY 69 HA2 GLY 69 8.240 -10.057 5.106 484 HA3 GLY 69 HA3 GLY 69 8.731 -8.362 5.085 485 H MET 70 H MET 70 6.522 -7.954 2.915 486 HA MET 70 HA MET 70 4.638 -6.947 4.813 487 HB2 MET 70 HB2 MET 70 4.903 -6.891 1.819 488 HB3 MET 70 HB3 MET 70 3.385 -6.371 2.556 489 HG2 MET 70 HG2 MET 70 6.110 -5.287 3.377 490 HG3 MET 70 HG3 MET 70 5.112 -4.547 2.136 491 HE1 MET 70 HE1 MET 70 5.626 -2.382 3.719 492 HE2 MET 70 HE2 MET 70 4.973 -2.182 5.361 493 HE3 MET 70 HE3 MET 70 6.300 -3.323 5.069 494 H ASN 71 H ASN 71 4.472 -9.953 2.895 495 HA ASN 71 HA ASN 71 1.642 -10.311 3.146 496 HB2 ASN 71 HB2 ASN 71 3.228 -11.699 1.756 497 HB3 ASN 71 HB3 ASN 71 3.746 -12.516 3.233 498 HD21 ASN 71 HD21 ASN 71 2.876 -14.163 1.383 499 HD22 ASN 71 HD22 ASN 71 1.197 -14.646 1.646 500 H GLY 72 H GLY 72 0.691 -9.802 5.034 501 HA2 GLY 72 HA2 GLY 72 -0.243 -10.436 7.083 502 HA3 GLY 72 HA3 GLY 72 1.111 -11.507 7.415 503 H LYS 73 H LYS 73 2.255 -8.328 6.531 504 HA LYS 73 HA LYS 73 3.256 -7.976 9.236 505 HB2 LYS 73 HB2 LYS 73 4.453 -7.297 7.108 506 HB3 LYS 73 HB3 LYS 73 3.383 -5.880 7.038 507 HG2 LYS 73 HG2 LYS 73 4.210 -5.109 9.215 508 HG3 LYS 73 HG3 LYS 73 5.136 -6.605 9.429 509 HD2 LYS 73 HD2 LYS 73 6.560 -6.006 7.494 510 HD3 LYS 73 HD3 LYS 73 5.656 -4.481 7.305 511 HE2 LYS 73 HE2 LYS 73 6.322 -3.750 9.549 512 HE3 LYS 73 HE3 LYS 73 7.070 -5.318 9.878 513 HZ1 LYS 73 HZ1 LYS 73 8.686 -4.871 8.152 514 HZ2 LYS 73 HZ2 LYS 73 8.722 -3.682 9.287 515 HZ3 LYS 73 HZ3 LYS 73 8.006 -3.371 7.857 516 H GLU 74 H GLU 74 2.737 -6.530 10.845 517 HA GLU 74 HA GLU 74 -0.060 -5.708 10.853 518 HB2 GLU 74 HB2 GLU 74 1.086 -6.926 12.695 519 HB3 GLU 74 HB3 GLU 74 2.068 -5.486 12.997 520 HG2 GLU 74 HG2 GLU 74 -0.132 -4.213 13.358 521 HG3 GLU 74 HG3 GLU 74 -0.969 -5.754 13.200 522 H LEU 75 H LEU 75 -0.450 -3.898 9.619 523 HA LEU 75 HA LEU 75 0.983 -1.355 10.320 524 HB2 LEU 75 HB2 LEU 75 -0.142 -2.450 7.767 525 HB3 LEU 75 HB3 LEU 75 -0.205 -0.713 8.036 526 HG LEU 75 HG LEU 75 2.218 -0.594 8.367 527 HD11 LEU 75 HD11 LEU 75 2.235 -3.551 7.633 528 HD12 LEU 75 HD12 LEU 75 2.755 -2.813 9.170 529 HD13 LEU 75 HD13 LEU 75 3.671 -2.498 7.699 530 HD21 LEU 75 HD21 LEU 75 1.230 -0.296 6.111 531 HD22 LEU 75 HD22 LEU 75 1.494 -2.033 5.793 532 HD23 LEU 75 HD23 LEU 75 2.872 -0.961 6.041 533 H ASP 76 H ASP 76 -0.045 0.144 11.329 534 HA ASP 76 HA ASP 76 -1.584 1.063 12.682 535 HB2 ASP 76 HB2 ASP 76 -2.172 2.076 10.494 536 HB3 ASP 76 HB3 ASP 76 -3.437 0.862 10.297 537 H GLY 77 H GLY 77 -1.286 -1.609 13.113 538 HA2 GLY 77 HA2 GLY 77 -2.145 -3.096 14.678 539 HA3 GLY 77 HA3 GLY 77 -3.702 -2.271 14.639 540 H ARG 78 H ARG 78 -2.934 -2.948 11.451 541 HA ARG 78 HA ARG 78 -4.637 -5.420 11.430 542 HB2 ARG 78 HB2 ARG 78 -4.414 -3.077 9.517 543 HB3 ARG 78 HB3 ARG 78 -5.383 -4.498 9.194 544 HG2 ARG 78 HG2 ARG 78 -5.852 -2.784 11.670 545 HG3 ARG 78 HG3 ARG 78 -6.562 -2.383 10.107 546 HD2 ARG 78 HD2 ARG 78 -6.920 -5.132 11.360 547 HD3 ARG 78 HD3 ARG 78 -7.987 -3.773 11.734 548 HE ARG 78 HE ARG 78 -7.911 -3.805 8.964 549 HH11 ARG 78 HH11 ARG 78 -9.022 -6.049 11.439 550 HH12 ARG 78 HH12 ARG 78 -10.316 -6.628 10.423 551 HH21 ARG 78 HH21 ARG 78 -9.593 -4.562 7.812 552 HH22 ARG 78 HH22 ARG 78 -10.474 -5.981 8.326 553 H SER 79 H SER 79 -3.770 -7.169 10.657 554 HA SER 79 HA SER 79 -1.186 -7.390 9.457 555 HB2 SER 79 HB2 SER 79 -3.439 -9.428 9.412 556 HB3 SER 79 HB3 SER 79 -1.707 -9.737 9.162 557 HG SER 79 HG SER 79 -2.336 -10.193 11.298 558 H ILE 80 H ILE 80 -0.652 -6.720 7.478 559 HA ILE 80 HA ILE 80 -2.704 -6.156 5.548 560 HB ILE 80 HB ILE 80 -0.772 -4.714 6.316 561 HG12 ILE 80 HG12 ILE 80 -1.129 -4.805 3.299 562 HG13 ILE 80 HG13 ILE 80 -2.358 -4.225 4.426 563 HG21 ILE 80 HG21 ILE 80 1.030 -6.398 5.876 564 HG22 ILE 80 HG22 ILE 80 0.784 -6.157 4.137 565 HG23 ILE 80 HG23 ILE 80 1.338 -4.818 5.162 566 HD11 ILE 80 HD11 ILE 80 -0.736 -2.559 5.329 567 HD12 ILE 80 HD12 ILE 80 0.378 -3.015 4.006 568 HD13 ILE 80 HD13 ILE 80 -1.209 -2.309 3.654 569 H VAL 81 H VAL 81 -2.542 -6.465 3.268 570 HA VAL 81 HA VAL 81 -1.455 -9.113 2.408 571 HB VAL 81 HB VAL 81 -4.157 -7.899 1.690 572 HG11 VAL 81 HG11 VAL 81 -4.512 -9.974 0.362 573 HG12 VAL 81 HG12 VAL 81 -3.219 -8.986 -0.309 574 HG13 VAL 81 HG13 VAL 81 -2.822 -10.438 0.640 575 HG21 VAL 81 HG21 VAL 81 -3.393 -10.471 3.139 576 HG22 VAL 81 HG22 VAL 81 -4.180 -9.047 3.864 577 HG23 VAL 81 HG23 VAL 81 -5.044 -10.012 2.667 578 H VAL 82 H VAL 82 -0.430 -9.088 0.465 579 HA VAL 82 HA VAL 82 -0.188 -6.476 -0.969 580 HB VAL 82 HB VAL 82 2.256 -6.848 -1.091 581 HG11 VAL 82 HG11 VAL 82 1.219 -6.230 1.680 582 HG12 VAL 82 HG12 VAL 82 2.597 -5.501 0.787 583 HG13 VAL 82 HG13 VAL 82 0.956 -5.164 0.284 584 HG21 VAL 82 HG21 VAL 82 2.325 -9.199 -0.220 585 HG22 VAL 82 HG22 VAL 82 3.392 -8.084 0.624 586 HG23 VAL 82 HG23 VAL 82 1.854 -8.575 1.372 587 H ASN 83 H ASN 83 0.223 -6.494 -3.123 588 HA ASN 83 HA ASN 83 1.703 -8.638 -4.332 589 HB2 ASN 83 HB2 ASN 83 0.141 -9.114 -6.212 590 HB3 ASN 83 HB3 ASN 83 -0.393 -9.736 -4.664 591 HD21 ASN 83 HD21 ASN 83 -0.938 -6.948 -6.942 592 HD22 ASN 83 HD22 ASN 83 -2.626 -6.775 -6.445 593 H GLU 84 H GLU 84 2.471 -8.070 -6.491 594 HA GLU 84 HA GLU 84 3.121 -5.352 -6.869 595 HB2 GLU 84 HB2 GLU 84 4.087 -6.032 -8.958 596 HB3 GLU 84 HB3 GLU 84 4.413 -7.223 -7.719 597 HG2 GLU 84 HG2 GLU 84 3.736 -8.774 -9.169 598 HG3 GLU 84 HG3 GLU 84 2.085 -8.254 -8.871 599 H ALA 85 H ALA 85 2.591 -3.822 -8.491 600 HA ALA 85 HA ALA 85 -0.130 -4.025 -9.681 601 HB1 ALA 85 HB1 ALA 85 -0.162 -2.713 -7.611 602 HB2 ALA 85 HB2 ALA 85 1.067 -1.618 -8.290 603 HB3 ALA 85 HB3 ALA 85 -0.538 -1.728 -9.037 604 H GLN 86 H GLN 86 2.598 -4.474 -10.888 605 HA GLN 86 HA GLN 86 2.794 -2.226 -12.865 606 HB2 GLN 86 HB2 GLN 86 4.857 -3.383 -13.622 607 HB3 GLN 86 HB3 GLN 86 4.879 -2.716 -11.993 608 HG2 GLN 86 HG2 GLN 86 4.560 -4.963 -11.028 609 HG3 GLN 86 HG3 GLN 86 4.492 -5.662 -12.654 610 HE21 GLN 86 HE21 GLN 86 6.792 -3.194 -11.214 611 HE22 GLN 86 HE22 GLN 86 8.163 -4.293 -11.327 612 H SER 87 H SER 87 2.033 -5.723 -12.605 613 HA SER 87 HA SER 87 1.444 -6.109 -15.406 614 HB2 SER 87 HB2 SER 87 0.529 -7.664 -12.956 615 HB3 SER 87 HB3 SER 87 0.370 -8.180 -14.647 616 HG SER 87 HG SER 87 2.616 -8.114 -13.009 617 H ARG 88 H ARG 88 -0.406 -4.634 -12.841 618 HA ARG 88 HA ARG 88 -2.934 -4.359 -14.216 619 HB2 ARG 88 HB2 ARG 88 -2.687 -3.876 -11.855 620 HB3 ARG 88 HB3 ARG 88 -1.435 -2.679 -12.175 621 HG2 ARG 88 HG2 ARG 88 -3.079 -1.175 -13.229 622 HG3 ARG 88 HG3 ARG 88 -4.365 -2.375 -12.960 623 HD2 ARG 88 HD2 ARG 88 -4.100 -2.184 -10.557 624 HD3 ARG 88 HD3 ARG 88 -2.633 -1.225 -10.731 625 HE ARG 88 HE ARG 88 -5.383 -0.279 -11.515 626 HH11 ARG 88 HH11 ARG 88 -2.107 0.737 -10.624 627 HH12 ARG 88 HH12 ARG 88 -2.723 2.187 -9.854 628 HH21 ARG 88 HH21 ARG 88 -6.001 1.596 -10.484 629 HH22 ARG 88 HH22 ARG 88 -4.786 2.690 -9.866 630 H GLY 89 H GLY 89 0.165 -2.704 -14.678 631 HA2 GLY 89 HA2 GLY 89 0.819 -0.999 -16.113 632 HA3 GLY 89 HA3 GLY 89 -0.725 -1.156 -16.957 633 H TYR 90 H TYR 90 -0.920 1.112 -17.091 634 HA TYR 90 HA TYR 90 -2.190 2.280 -14.657 635 HB2 TYR 90 HB2 TYR 90 0.181 3.150 -14.977 636 HB3 TYR 90 HB3 TYR 90 -0.376 3.919 -16.456 637 HD1 TYR 90 HD2 TYR 90 -0.879 3.748 -12.750 638 HD2 TYR 90 HD1 TYR 90 -1.571 6.022 -16.350 639 HE1 TYR 90 HE2 TYR 90 -1.673 5.665 -11.379 640 HE2 TYR 90 HE1 TYR 90 -2.364 7.943 -14.977 641 HH TYR 90 HH TYR 90 -2.386 7.827 -11.398 642 H GLY 91 H GLY 91 -2.108 2.064 -18.167 643 HA2 GLY 91 HA2 GLY 91 -4.768 3.432 -18.382 644 HA3 GLY 91 HA3 GLY 91 -3.655 3.127 -19.705 645 H GLY 92 H GLY 92 -5.593 2.225 -20.725 646 HA2 GLY 92 HA2 GLY 92 -5.938 -0.705 -20.188 647 HA3 GLY 92 HA3 GLY 92 -7.357 0.322 -20.380 Start of MODEL 14 1 H1 MET 1 H1 MET 1 2.390 7.973 -11.553 2 H2 MET 1 H2 MET 1 1.852 7.287 -10.183 3 H3 MET 1 H3 MET 1 1.485 8.850 -10.474 4 HA MET 1 HA MET 1 -0.448 7.554 -10.914 5 HB2 MET 1 HB2 MET 1 0.928 8.553 -13.404 6 HB3 MET 1 HB3 MET 1 -0.793 8.074 -13.338 7 HG2 MET 1 HG2 MET 1 -1.044 9.759 -11.437 8 HG3 MET 1 HG3 MET 1 0.549 10.376 -11.883 9 HE1 MET 1 HE1 MET 1 1.057 11.409 -14.387 10 HE2 MET 1 HE2 MET 1 0.284 10.014 -15.169 11 HE3 MET 1 HE3 MET 1 -0.230 11.652 -15.591 12 H ALA 2 H ALA 2 0.946 6.494 -14.006 13 HA ALA 2 HA ALA 2 1.381 3.750 -12.903 14 HB1 ALA 2 HB1 ALA 2 0.402 2.862 -14.994 15 HB2 ALA 2 HB2 ALA 2 -0.782 3.767 -14.028 16 HB3 ALA 2 HB3 ALA 2 -0.063 4.511 -15.473 17 H GLU 3 H GLU 3 3.492 4.314 -12.736 18 HA GLU 3 HA GLU 3 5.125 5.369 -14.820 19 HB2 GLU 3 HB2 GLU 3 5.611 4.229 -12.046 20 HB3 GLU 3 HB3 GLU 3 6.959 4.720 -13.047 21 HG2 GLU 3 HG2 GLU 3 6.320 6.538 -11.551 22 HG3 GLU 3 HG3 GLU 3 6.050 7.007 -13.232 23 H SER 4 H SER 4 4.580 3.668 -16.480 24 HA SER 4 HA SER 4 6.145 1.192 -16.306 25 HB2 SER 4 HB2 SER 4 4.539 2.434 -18.556 26 HB3 SER 4 HB3 SER 4 5.346 0.857 -18.637 27 HG SER 4 HG SER 4 3.068 0.891 -18.014 28 H ASP 5 H ASP 5 8.285 1.019 -16.817 29 HA ASP 5 HA ASP 5 9.516 2.867 -18.806 30 HB2 ASP 5 HB2 ASP 5 10.929 2.240 -16.988 31 HB3 ASP 5 HB3 ASP 5 10.614 0.530 -17.230 32 H GLY 6 H GLY 6 9.571 -0.692 -18.712 33 HA2 GLY 6 HA2 GLY 6 7.357 -0.663 -20.726 34 HA3 GLY 6 HA3 GLY 6 8.393 -2.071 -20.474 35 H ALA 7 H ALA 7 8.635 -1.662 -17.614 36 HA ALA 7 HA ALA 7 5.960 -2.345 -16.487 37 HB1 ALA 7 HB1 ALA 7 8.751 -3.510 -16.046 38 HB2 ALA 7 HB2 ALA 7 7.385 -3.858 -14.994 39 HB3 ALA 7 HB3 ALA 7 7.328 -4.343 -16.709 40 H GLU 8 H GLU 8 6.017 -2.096 -14.015 41 HA GLU 8 HA GLU 8 7.321 0.504 -13.248 42 HB2 GLU 8 HB2 GLU 8 5.292 1.196 -12.277 43 HB3 GLU 8 HB3 GLU 8 4.943 0.663 -13.926 44 HG2 GLU 8 HG2 GLU 8 4.220 -1.582 -12.922 45 HG3 GLU 8 HG3 GLU 8 4.327 -0.807 -11.337 46 H TYR 9 H TYR 9 7.785 0.853 -11.084 47 HA TYR 9 HA TYR 9 7.943 -1.476 -9.261 48 HB2 TYR 9 HB2 TYR 9 9.291 0.381 -7.933 49 HB3 TYR 9 HB3 TYR 9 9.969 -0.646 -9.168 50 HD1 TYR 9 HD2 TYR 9 7.955 2.548 -9.622 51 HD2 TYR 9 HD1 TYR 9 11.759 0.542 -10.027 52 HE1 TYR 9 HE2 TYR 9 8.885 4.530 -10.789 53 HE2 TYR 9 HE1 TYR 9 12.707 2.559 -11.099 54 HH TYR 9 HH TYR 9 12.347 4.769 -11.615 55 H ARG 10 H ARG 10 5.757 -1.668 -8.801 56 HA ARG 10 HA ARG 10 4.667 0.112 -6.736 57 HB2 ARG 10 HB2 ARG 10 3.911 1.202 -8.786 58 HB3 ARG 10 HB3 ARG 10 3.247 -0.313 -9.399 59 HG2 ARG 10 HG2 ARG 10 1.535 -0.336 -7.669 60 HG3 ARG 10 HG3 ARG 10 2.216 1.104 -6.904 61 HD2 ARG 10 HD2 ARG 10 1.282 1.140 -9.801 62 HD3 ARG 10 HD3 ARG 10 0.145 1.312 -8.479 63 HE ARG 10 HE ARG 10 0.964 3.416 -7.931 64 HH11 ARG 10 HH11 ARG 10 2.781 2.356 -10.824 65 HH12 ARG 10 HH12 ARG 10 3.526 3.971 -10.840 66 HH21 ARG 10 HH21 ARG 10 1.899 5.270 -8.261 67 HH22 ARG 10 HH22 ARG 10 3.068 5.466 -9.592 68 H CYS 11 H CYS 11 3.111 -0.891 -5.390 69 HA CYS 11 HA CYS 11 2.119 -3.564 -6.210 70 HB2 CYS 11 HB2 CYS 11 2.904 -4.759 -4.432 71 HB3 CYS 11 HB3 CYS 11 4.235 -3.633 -4.671 72 HG CYS 11 HG CYS 11 1.745 -3.569 -2.465 73 H PHE 12 H PHE 12 0.264 -4.295 -5.174 74 HA PHE 12 HA PHE 12 -1.676 -2.334 -4.142 75 HB2 PHE 12 HB2 PHE 12 -2.388 -4.080 -5.695 76 HB3 PHE 12 HB3 PHE 12 -1.693 -5.324 -4.668 77 HD1 PHE 12 HD2 PHE 12 -4.544 -3.003 -5.087 78 HD2 PHE 12 HD1 PHE 12 -2.805 -6.094 -2.630 79 HE1 PHE 12 HE2 PHE 12 -6.714 -3.316 -3.936 80 HE2 PHE 12 HE1 PHE 12 -4.974 -6.380 -1.457 81 HZ PHE 12 HZ PHE 12 -6.937 -4.998 -2.114 82 H VAL 13 H VAL 13 -2.563 -2.355 -2.101 83 HA VAL 13 HA VAL 13 -1.590 -4.205 -0.013 84 HB VAL 13 HB VAL 13 -1.642 -2.094 1.553 85 HG11 VAL 13 HG11 VAL 13 0.768 -2.723 -0.174 86 HG12 VAL 13 HG12 VAL 13 0.790 -1.860 1.382 87 HG13 VAL 13 HG13 VAL 13 0.268 -3.553 1.325 88 HG21 VAL 13 HG21 VAL 13 -0.678 -0.755 -1.006 89 HG22 VAL 13 HG22 VAL 13 -2.196 -0.394 -0.149 90 HG23 VAL 13 HG23 VAL 13 -0.639 -0.089 0.631 91 H GLY 14 H GLY 14 -3.298 -4.972 1.112 92 HA2 GLY 14 HA2 GLY 14 -5.775 -3.257 1.354 93 HA3 GLY 14 HA3 GLY 14 -5.826 -5.004 1.182 94 H SER 15 H SER 15 -6.251 -2.659 3.343 95 HA SER 15 HA SER 15 -6.224 -4.232 5.716 96 HB2 SER 15 HB2 SER 15 -4.407 -2.953 6.972 97 HB3 SER 15 HB3 SER 15 -3.825 -4.123 5.788 98 HG SER 15 HG SER 15 -2.785 -2.039 5.722 99 H LEU 16 H LEU 16 -6.461 -1.093 4.200 100 HA LEU 16 HA LEU 16 -6.393 0.523 6.511 101 HB2 LEU 16 HB2 LEU 16 -7.627 1.334 3.868 102 HB3 LEU 16 HB3 LEU 16 -6.958 2.382 5.050 103 HG LEU 16 HG LEU 16 -5.498 0.452 3.211 104 HD11 LEU 16 HD11 LEU 16 -6.435 2.603 2.328 105 HD12 LEU 16 HD12 LEU 16 -4.659 2.490 2.224 106 HD13 LEU 16 HD13 LEU 16 -5.417 3.486 3.483 107 HD21 LEU 16 HD21 LEU 16 -4.284 0.554 5.383 108 HD22 LEU 16 HD22 LEU 16 -4.261 2.333 5.260 109 HD23 LEU 16 HD23 LEU 16 -3.407 1.338 4.067 110 H SER 17 H SER 17 -8.067 2.242 6.889 111 HA SER 17 HA SER 17 -10.679 1.001 7.642 112 HB2 SER 17 HB2 SER 17 -10.261 1.300 9.977 113 HB3 SER 17 HB3 SER 17 -8.879 0.405 9.327 114 HG SER 17 HG SER 17 -7.644 2.265 9.392 115 H TRP 18 H TRP 18 -11.974 2.634 9.069 116 HA TRP 18 HA TRP 18 -12.395 5.146 7.951 117 HB2 TRP 18 HB2 TRP 18 -13.607 5.650 9.938 118 HB3 TRP 18 HB3 TRP 18 -13.818 3.937 9.650 119 HD1 TRP 18 HD1 TRP 18 -12.275 2.287 11.292 120 HE1 TRP 18 HE1 TRP 18 -11.261 2.629 13.625 121 HE3 TRP 18 HE3 TRP 18 -12.884 7.355 11.698 122 HZ2 TRP 18 HZ2 TRP 18 -10.957 4.781 15.501 123 HZ3 TRP 18 HZ3 TRP 18 -12.171 8.535 13.761 124 HH2 TRP 18 HH2 TRP 18 -11.210 7.265 15.664 125 H ASN 19 H ASN 19 -9.688 4.283 10.015 126 HA ASN 19 HA ASN 19 -9.023 7.146 10.529 127 HB2 ASN 19 HB2 ASN 19 -9.550 5.555 12.433 128 HB3 ASN 19 HB3 ASN 19 -8.082 4.668 12.037 129 HD21 ASN 19 HD21 ASN 19 -6.136 5.477 12.952 130 HD22 ASN 19 HD22 ASN 19 -6.032 7.084 13.675 131 H THR 20 H THR 20 -7.811 4.369 8.788 132 HA THR 20 HA THR 20 -5.021 5.365 8.747 133 HB THR 20 HB THR 20 -5.794 3.119 6.941 134 HG1 THR 20 HG1 THR 20 -5.386 2.492 9.644 135 HG21 THR 20 HG21 THR 20 -3.501 3.601 8.888 136 HG22 THR 20 HG22 THR 20 -3.446 3.724 7.124 137 HG23 THR 20 HG23 THR 20 -3.694 2.146 7.883 138 H ASP 21 H ASP 21 -3.866 5.936 6.815 139 HA ASP 21 HA ASP 21 -5.376 6.004 4.288 140 HB2 ASP 21 HB2 ASP 21 -3.881 8.424 5.449 141 HB3 ASP 21 HB3 ASP 21 -4.501 8.327 3.806 142 H ASP 22 H ASP 22 -3.620 7.148 2.609 143 HA ASP 22 HA ASP 22 -1.327 5.529 2.133 144 HB2 ASP 22 HB2 ASP 22 -0.534 7.485 0.814 145 HB3 ASP 22 HB3 ASP 22 -2.085 6.895 0.299 146 H ARG 23 H ARG 23 -1.732 8.450 4.123 147 HA ARG 23 HA ARG 23 0.979 8.980 4.721 148 HB2 ARG 23 HB2 ARG 23 -1.484 9.361 6.477 149 HB3 ARG 23 HB3 ARG 23 0.096 10.108 6.752 150 HG2 ARG 23 HG2 ARG 23 -0.073 11.247 4.532 151 HG3 ARG 23 HG3 ARG 23 -1.692 10.563 4.323 152 HD2 ARG 23 HD2 ARG 23 -2.425 11.677 6.420 153 HD3 ARG 23 HD3 ARG 23 -0.829 12.408 6.589 154 HE ARG 23 HE ARG 23 -2.991 13.210 4.779 155 HH11 ARG 23 HH11 ARG 23 0.528 13.465 5.028 156 HH12 ARG 23 HH12 ARG 23 0.501 15.104 4.458 157 HH21 ARG 23 HH21 ARG 23 -2.916 15.197 4.036 158 HH22 ARG 23 HH22 ARG 23 -1.396 16.085 3.927 159 H GLY 24 H GLY 24 -1.069 6.486 6.195 160 HA2 GLY 24 HA2 GLY 24 0.887 5.789 8.273 161 HA3 GLY 24 HA3 GLY 24 -0.615 4.948 7.878 162 H LEU 25 H LEU 25 -0.019 4.591 5.047 163 HA LEU 25 HA LEU 25 1.740 2.271 5.027 164 HB2 LEU 25 HB2 LEU 25 0.605 3.986 2.772 165 HB3 LEU 25 HB3 LEU 25 1.458 2.468 2.536 166 HG LEU 25 HG LEU 25 -1.135 2.665 4.131 167 HD11 LEU 25 HD11 LEU 25 -2.148 1.671 2.030 168 HD12 LEU 25 HD12 LEU 25 -0.645 2.101 1.182 169 HD13 LEU 25 HD13 LEU 25 -1.660 3.361 1.897 170 HD21 LEU 25 HD21 LEU 25 -1.221 0.224 3.679 171 HD22 LEU 25 HD22 LEU 25 0.212 0.662 4.613 172 HD23 LEU 25 HD23 LEU 25 0.363 0.317 2.877 173 H GLU 26 H GLU 26 2.102 5.650 3.943 174 HA GLU 26 HA GLU 26 4.757 5.665 3.028 175 HB2 GLU 26 HB2 GLU 26 3.292 7.548 2.749 176 HB3 GLU 26 HB3 GLU 26 3.027 7.693 4.479 177 HG2 GLU 26 HG2 GLU 26 5.404 8.403 4.786 178 HG3 GLU 26 HG3 GLU 26 5.607 8.334 3.028 179 H ALA 27 H ALA 27 3.648 6.208 6.444 180 HA ALA 27 HA ALA 27 6.314 6.462 7.456 181 HB1 ALA 27 HB1 ALA 27 5.204 6.271 9.655 182 HB2 ALA 27 HB2 ALA 27 4.267 7.327 8.583 183 HB3 ALA 27 HB3 ALA 27 3.726 5.659 8.880 184 H ALA 28 H ALA 28 4.178 3.579 7.221 185 HA ALA 28 HA ALA 28 5.967 1.769 8.513 186 HB1 ALA 28 HB1 ALA 28 4.601 0.054 7.311 187 HB2 ALA 28 HB2 ALA 28 3.634 1.255 8.172 188 HB3 ALA 28 HB3 ALA 28 3.805 1.357 6.402 189 H PHE 29 H PHE 29 5.948 2.970 5.179 190 HA PHE 29 HA PHE 29 7.961 0.973 4.328 191 HB2 PHE 29 HB2 PHE 29 5.843 1.419 3.069 192 HB3 PHE 29 HB3 PHE 29 6.371 3.068 2.794 193 HD1 PHE 29 HD2 PHE 29 8.453 3.479 1.371 194 HD2 PHE 29 HD1 PHE 29 6.491 -0.348 1.585 195 HE1 PHE 29 HE2 PHE 29 9.562 2.804 -0.730 196 HE2 PHE 29 HE1 PHE 29 7.570 -1.007 -0.557 197 HZ PHE 29 HZ PHE 29 9.130 0.549 -1.699 198 H SER 30 H SER 30 8.002 4.356 5.238 199 HA SER 30 HA SER 30 9.802 5.348 3.424 200 HB2 SER 30 HB2 SER 30 9.414 6.119 6.334 201 HB3 SER 30 HB3 SER 30 10.444 7.037 5.222 202 HG SER 30 HG SER 30 7.681 6.456 4.826 203 H SER 31 H SER 31 10.814 3.018 5.822 204 HA SER 31 HA SER 31 13.669 3.843 5.696 205 HB2 SER 31 HB2 SER 31 14.149 2.124 7.240 206 HB3 SER 31 HB3 SER 31 12.699 2.959 7.816 207 HG SER 31 HG SER 31 11.445 1.278 7.131 208 H PHE 32 H PHE 32 11.592 1.917 3.806 209 HA PHE 32 HA PHE 32 13.773 0.318 2.564 210 HB2 PHE 32 HB2 PHE 32 10.799 0.516 1.944 211 HB3 PHE 32 HB3 PHE 32 11.948 -0.512 1.113 212 HD1 PHE 32 HD1 PHE 32 10.131 0.009 4.312 213 HD2 PHE 32 HD2 PHE 32 12.738 -2.595 2.075 214 HE1 PHE 32 HE1 PHE 32 9.705 -1.816 5.943 215 HE2 PHE 32 HE2 PHE 32 12.315 -4.414 3.709 216 HZ PHE 32 HZ PHE 32 10.800 -4.030 5.643 217 H GLY 33 H GLY 33 11.431 2.914 1.738 218 HA2 GLY 33 HA2 GLY 33 13.415 4.304 0.123 219 HA3 GLY 33 HA3 GLY 33 12.119 3.571 -0.815 220 H GLU 34 H GLU 34 12.804 6.430 -0.394 221 HA GLU 34 HA GLU 34 10.590 7.648 1.080 222 HB2 GLU 34 HB2 GLU 34 12.461 8.755 -1.042 223 HB3 GLU 34 HB3 GLU 34 11.337 9.718 -0.074 224 HG2 GLU 34 HG2 GLU 34 12.501 9.130 1.982 225 HG3 GLU 34 HG3 GLU 34 13.600 8.053 1.119 226 H ILE 35 H ILE 35 8.533 8.031 0.358 227 HA ILE 35 HA ILE 35 7.679 6.482 -1.789 228 HB ILE 35 HB ILE 35 6.218 8.691 -0.305 229 HG12 ILE 35 HG12 ILE 35 6.782 6.926 1.217 230 HG13 ILE 35 HG13 ILE 35 5.089 6.732 0.814 231 HG21 ILE 35 HG21 ILE 35 4.987 8.406 -2.352 232 HG22 ILE 35 HG22 ILE 35 5.068 6.632 -2.234 233 HG23 ILE 35 HG23 ILE 35 4.106 7.575 -1.083 234 HD11 ILE 35 HD11 ILE 35 7.458 5.064 -0.060 235 HD12 ILE 35 HD12 ILE 35 5.995 4.546 0.780 236 HD13 ILE 35 HD13 ILE 35 5.912 4.987 -0.953 237 H LEU 36 H LEU 36 7.247 6.576 -3.785 238 HA LEU 36 HA LEU 36 7.647 9.036 -5.387 239 HB2 LEU 36 HB2 LEU 36 8.673 6.864 -5.988 240 HB3 LEU 36 HB3 LEU 36 7.085 6.139 -6.182 241 HG LEU 36 HG LEU 36 7.931 8.552 -7.823 242 HD11 LEU 36 HD11 LEU 36 9.663 6.858 -8.131 243 HD12 LEU 36 HD12 LEU 36 8.653 6.947 -9.575 244 HD13 LEU 36 HD13 LEU 36 8.431 5.606 -8.428 245 HD21 LEU 36 HD21 LEU 36 6.008 6.245 -8.406 246 HD22 LEU 36 HD22 LEU 36 6.366 7.613 -9.480 247 HD23 LEU 36 HD23 LEU 36 5.519 7.891 -7.968 248 H ASP 37 H ASP 37 5.086 6.679 -4.489 249 HA ASP 37 HA ASP 37 2.986 8.675 -4.726 250 HB2 ASP 37 HB2 ASP 37 3.367 6.595 -6.895 251 HB3 ASP 37 HB3 ASP 37 1.740 6.875 -6.318 252 H ALA 38 H ALA 38 1.132 8.017 -3.497 253 HA ALA 38 HA ALA 38 0.713 5.141 -3.325 254 HB1 ALA 38 HB1 ALA 38 1.823 5.569 -1.216 255 HB2 ALA 38 HB2 ALA 38 0.778 6.965 -0.896 256 HB3 ALA 38 HB3 ALA 38 0.096 5.315 -0.891 257 H LYS 39 H LYS 39 -1.361 4.544 -3.378 258 HA LYS 39 HA LYS 39 -3.456 6.632 -3.915 259 HB2 LYS 39 HB2 LYS 39 -3.085 5.082 -5.797 260 HB3 LYS 39 HB3 LYS 39 -3.252 3.706 -4.738 261 HG2 LYS 39 HG2 LYS 39 -5.225 3.963 -6.105 262 HG3 LYS 39 HG3 LYS 39 -5.648 4.109 -4.401 263 HD2 LYS 39 HD2 LYS 39 -6.833 5.705 -5.935 264 HD3 LYS 39 HD3 LYS 39 -5.987 6.468 -4.596 265 HE2 LYS 39 HE2 LYS 39 -4.042 6.911 -6.196 266 HE3 LYS 39 HE3 LYS 39 -5.084 6.327 -7.504 267 HZ1 LYS 39 HZ1 LYS 39 -6.592 8.144 -7.059 268 HZ2 LYS 39 HZ2 LYS 39 -5.082 8.772 -7.194 269 HZ3 LYS 39 HZ3 LYS 39 -5.732 8.590 -5.706 270 H ILE 40 H ILE 40 -5.240 6.701 -2.639 271 HA ILE 40 HA ILE 40 -5.895 4.374 -0.939 272 HB ILE 40 HB ILE 40 -4.657 5.707 0.554 273 HG12 ILE 40 HG12 ILE 40 -6.919 4.659 1.229 274 HG13 ILE 40 HG13 ILE 40 -6.029 5.682 2.331 275 HG21 ILE 40 HG21 ILE 40 -6.353 8.125 -0.162 276 HG22 ILE 40 HG22 ILE 40 -5.222 8.037 1.199 277 HG23 ILE 40 HG23 ILE 40 -4.619 7.899 -0.452 278 HD11 ILE 40 HD11 ILE 40 -7.551 7.558 1.954 279 HD12 ILE 40 HD12 ILE 40 -8.449 6.625 0.743 280 HD13 ILE 40 HD13 ILE 40 -8.438 6.112 2.438 281 H ILE 41 H ILE 41 -7.977 3.856 -1.024 282 HA ILE 41 HA ILE 41 -9.899 5.897 -2.057 283 HB ILE 41 HB ILE 41 -9.685 4.278 -3.701 284 HG12 ILE 41 HG12 ILE 41 -11.940 3.265 -3.849 285 HG13 ILE 41 HG13 ILE 41 -12.259 3.755 -2.180 286 HG21 ILE 41 HG21 ILE 41 -9.736 2.234 -1.505 287 HG22 ILE 41 HG22 ILE 41 -10.368 1.794 -3.101 288 HG23 ILE 41 HG23 ILE 41 -8.694 2.387 -2.930 289 HD11 ILE 41 HD11 ILE 41 -12.091 6.118 -2.820 290 HD12 ILE 41 HD12 ILE 41 -11.612 5.659 -4.472 291 HD13 ILE 41 HD13 ILE 41 -13.240 5.285 -3.873 292 H ASN 42 H ASN 42 -11.166 6.724 -0.747 293 HA ASN 42 HA ASN 42 -12.850 5.266 1.130 294 HB2 ASN 42 HB2 ASN 42 -10.830 5.661 2.541 295 HB3 ASN 42 HB3 ASN 42 -10.853 7.366 2.108 296 HD21 ASN 42 HD21 ASN 42 -10.956 7.910 4.357 297 HD22 ASN 42 HD22 ASN 42 -12.456 7.691 5.255 298 H ASP 43 H ASP 43 -14.860 6.203 0.845 299 HA ASP 43 HA ASP 43 -14.983 9.154 0.279 300 HB2 ASP 43 HB2 ASP 43 -17.152 7.107 -0.098 301 HB3 ASP 43 HB3 ASP 43 -17.353 8.845 -0.218 302 H ARG 44 H ARG 44 -14.514 10.016 2.222 303 HA ARG 44 HA ARG 44 -15.363 8.926 4.714 304 HB2 ARG 44 HB2 ARG 44 -14.357 10.794 5.746 305 HB3 ARG 44 HB3 ARG 44 -13.364 10.375 4.355 306 HG2 ARG 44 HG2 ARG 44 -14.402 12.296 3.086 307 HG3 ARG 44 HG3 ARG 44 -15.333 12.711 4.541 308 HD2 ARG 44 HD2 ARG 44 -13.194 12.935 5.809 309 HD3 ARG 44 HD3 ARG 44 -12.297 12.635 4.313 310 HE ARG 44 HE ARG 44 -14.070 14.818 3.838 311 HH11 ARG 44 HH11 ARG 44 -11.329 14.185 5.974 312 HH12 ARG 44 HH12 ARG 44 -10.950 15.870 6.121 313 HH21 ARG 44 HH21 ARG 44 -13.206 16.909 3.753 314 HH22 ARG 44 HH22 ARG 44 -11.989 17.368 4.931 315 H GLU 45 H GLU 45 -16.970 11.204 2.621 316 HA GLU 45 HA GLU 45 -18.843 12.376 4.354 317 HB2 GLU 45 HB2 GLU 45 -18.468 12.993 1.971 318 HB3 GLU 45 HB3 GLU 45 -19.161 11.454 1.470 319 HG2 GLU 45 HG2 GLU 45 -20.878 12.970 1.119 320 HG3 GLU 45 HG3 GLU 45 -21.347 12.215 2.632 321 H THR 46 H THR 46 -19.159 9.258 2.565 322 HA THR 46 HA THR 46 -21.608 8.589 4.102 323 HB THR 46 HB THR 46 -21.985 6.847 2.521 324 HG1 THR 46 HG1 THR 46 -20.578 6.233 1.082 325 HG21 THR 46 HG21 THR 46 -22.600 9.180 1.804 326 HG22 THR 46 HG22 THR 46 -22.254 8.089 0.450 327 HG23 THR 46 HG23 THR 46 -21.050 9.288 0.940 328 H GLY 47 H GLY 47 -18.320 8.141 4.495 329 HA2 GLY 47 HA2 GLY 47 -17.158 6.877 6.048 330 HA3 GLY 47 HA3 GLY 47 -18.656 6.054 6.505 331 H ARG 48 H ARG 48 -17.705 6.146 3.156 332 HA ARG 48 HA ARG 48 -17.569 3.203 2.983 333 HB2 ARG 48 HB2 ARG 48 -19.011 4.535 1.538 334 HB3 ARG 48 HB3 ARG 48 -17.614 5.425 0.968 335 HG2 ARG 48 HG2 ARG 48 -16.772 3.104 0.059 336 HG3 ARG 48 HG3 ARG 48 -18.439 2.581 0.340 337 HD2 ARG 48 HD2 ARG 48 -19.260 4.424 -1.089 338 HD3 ARG 48 HD3 ARG 48 -17.616 5.030 -1.280 339 HE ARG 48 HE ARG 48 -18.438 2.309 -2.265 340 HH11 ARG 48 HH11 ARG 48 -16.966 5.465 -3.124 341 HH12 ARG 48 HH12 ARG 48 -16.501 4.781 -4.665 342 HH21 ARG 48 HH21 ARG 48 -17.761 1.686 -4.163 343 HH22 ARG 48 HH22 ARG 48 -16.859 2.800 -5.218 344 H SER 49 H SER 49 -15.525 3.306 4.328 345 HA SER 49 HA SER 49 -13.059 3.823 2.827 346 HB2 SER 49 HB2 SER 49 -12.260 2.296 4.946 347 HB3 SER 49 HB3 SER 49 -12.360 4.052 4.899 348 HG SER 49 HG SER 49 -13.956 2.213 6.222 349 H ARG 50 H ARG 50 -12.766 2.638 1.068 350 HA ARG 50 HA ARG 50 -13.592 -0.152 0.749 351 HB2 ARG 50 HB2 ARG 50 -11.805 1.761 -0.787 352 HB3 ARG 50 HB3 ARG 50 -11.990 0.096 -1.297 353 HG2 ARG 50 HG2 ARG 50 -14.375 1.985 -1.010 354 HG3 ARG 50 HG3 ARG 50 -13.400 1.848 -2.468 355 HD2 ARG 50 HD2 ARG 50 -15.128 0.442 -2.955 356 HD3 ARG 50 HD3 ARG 50 -13.811 -0.631 -2.494 357 HE ARG 50 HE ARG 50 -15.667 0.025 -0.291 358 HH11 ARG 50 HH11 ARG 50 -15.132 -2.279 -2.944 359 HH12 ARG 50 HH12 ARG 50 -16.091 -3.489 -2.123 360 HH21 ARG 50 HH21 ARG 50 -16.845 -1.488 0.575 361 HH22 ARG 50 HH22 ARG 50 -17.230 -2.970 -0.271 362 H GLY 51 H GLY 51 -10.701 1.415 1.929 363 HA2 GLY 51 HA2 GLY 51 -9.351 0.507 3.501 364 HA3 GLY 51 HA3 GLY 51 -10.036 -1.051 3.332 365 H PHE 52 H PHE 52 -8.672 0.465 0.457 366 HA PHE 52 HA PHE 52 -6.145 -1.003 0.714 367 HB2 PHE 52 HB2 PHE 52 -6.381 -2.095 -1.478 368 HB3 PHE 52 HB3 PHE 52 -7.478 -2.711 -0.281 369 HD1 PHE 52 HD2 PHE 52 -7.241 -0.487 -3.292 370 HD2 PHE 52 HD1 PHE 52 -9.835 -2.760 -0.701 371 HE1 PHE 52 HE2 PHE 52 -9.101 -0.208 -4.904 372 HE2 PHE 52 HE1 PHE 52 -11.695 -2.482 -2.320 373 HZ PHE 52 HZ PHE 52 -11.330 -1.203 -4.426 374 H GLY 53 H GLY 53 -4.705 -0.631 -1.114 375 HA2 GLY 53 HA2 GLY 53 -4.978 1.855 -2.641 376 HA3 GLY 53 HA3 GLY 53 -3.879 1.917 -1.250 377 H PHE 54 H PHE 54 -2.647 2.524 -3.287 378 HA PHE 54 HA PHE 54 -0.958 0.187 -3.993 379 HB2 PHE 54 HB2 PHE 54 -1.267 2.716 -5.651 380 HB3 PHE 54 HB3 PHE 54 -0.132 1.419 -5.959 381 HD1 PHE 54 HD1 PHE 54 -1.523 -1.055 -5.871 382 HD2 PHE 54 HD2 PHE 54 -2.897 2.753 -7.345 383 HE1 PHE 54 HE1 PHE 54 -3.115 -2.216 -7.385 384 HE2 PHE 54 HE2 PHE 54 -4.445 1.592 -8.886 385 HZ PHE 54 HZ PHE 54 -4.578 -0.892 -8.897 386 H VAL 55 H VAL 55 1.315 0.553 -3.863 387 HA VAL 55 HA VAL 55 2.269 3.201 -2.869 388 HB VAL 55 HB VAL 55 3.161 0.531 -1.702 389 HG11 VAL 55 HG11 VAL 55 5.046 2.114 -1.753 390 HG12 VAL 55 HG12 VAL 55 4.019 3.388 -1.052 391 HG13 VAL 55 HG13 VAL 55 4.461 1.953 -0.105 392 HG21 VAL 55 HG21 VAL 55 2.247 1.393 0.435 393 HG22 VAL 55 HG22 VAL 55 1.596 2.814 -0.419 394 HG23 VAL 55 HG23 VAL 55 0.981 1.187 -0.774 395 H SER 56 H SER 56 4.245 3.832 -3.741 396 HA SER 56 HA SER 56 5.743 1.940 -5.490 397 HB2 SER 56 HB2 SER 56 4.082 3.119 -6.873 398 HB3 SER 56 HB3 SER 56 4.697 4.679 -6.296 399 HG SER 56 HG SER 56 6.232 2.725 -7.710 400 H PHE 57 H PHE 57 7.878 2.419 -5.880 401 HA PHE 57 HA PHE 57 9.171 4.717 -4.526 402 HB2 PHE 57 HB2 PHE 57 9.505 2.637 -3.119 403 HB3 PHE 57 HB3 PHE 57 10.177 1.832 -4.512 404 HD1 PHE 57 HD2 PHE 57 10.758 5.299 -3.157 405 HD2 PHE 57 HD1 PHE 57 12.436 1.433 -3.955 406 HE1 PHE 57 HE2 PHE 57 13.013 6.193 -2.652 407 HE2 PHE 57 HE1 PHE 57 14.692 2.290 -3.309 408 HZ PHE 57 HZ PHE 57 14.990 4.681 -2.715 409 H SER 58 H SER 58 11.135 5.400 -5.568 410 HA SER 58 HA SER 58 11.355 5.025 -8.391 411 HB2 SER 58 HB2 SER 58 13.556 6.281 -8.039 412 HB3 SER 58 HB3 SER 58 12.069 7.077 -7.521 413 HG SER 58 HG SER 58 12.516 6.771 -5.470 414 H ASN 59 H ASN 59 12.134 2.622 -6.241 415 HA ASN 59 HA ASN 59 13.909 1.429 -8.280 416 HB2 ASN 59 HB2 ASN 59 14.604 1.245 -5.329 417 HB3 ASN 59 HB3 ASN 59 15.369 0.365 -6.622 418 HD21 ASN 59 HD21 ASN 59 14.853 3.817 -5.611 419 HD22 ASN 59 HD22 ASN 59 16.448 4.287 -6.187 420 H GLU 60 H GLU 60 13.743 -0.741 -8.505 421 HA GLU 60 HA GLU 60 11.277 -2.023 -7.567 422 HB2 GLU 60 HB2 GLU 60 12.108 -2.190 -9.874 423 HB3 GLU 60 HB3 GLU 60 13.561 -3.027 -9.324 424 HG2 GLU 60 HG2 GLU 60 12.255 -4.952 -8.604 425 HG3 GLU 60 HG3 GLU 60 10.741 -4.091 -8.893 426 H GLN 61 H GLN 61 14.756 -2.466 -6.929 427 HA GLN 61 HA GLN 61 14.658 -4.942 -5.611 428 HB2 GLN 61 HB2 GLN 61 16.544 -2.586 -5.210 429 HB3 GLN 61 HB3 GLN 61 16.817 -4.196 -4.535 430 HG2 GLN 61 HG2 GLN 61 16.958 -5.177 -6.760 431 HG3 GLN 61 HG3 GLN 61 16.508 -3.649 -7.522 432 HE21 GLN 61 HE21 GLN 61 19.175 -5.346 -5.825 433 HE22 GLN 61 HE22 GLN 61 20.390 -4.209 -6.416 434 H ALA 62 H ALA 62 14.591 -1.701 -4.003 435 HA ALA 62 HA ALA 62 14.006 -2.710 -1.401 436 HB1 ALA 62 HB1 ALA 62 14.977 -0.500 -1.794 437 HB2 ALA 62 HB2 ALA 62 13.496 0.026 -2.624 438 HB3 ALA 62 HB3 ALA 62 13.457 -0.353 -0.897 439 H MET 63 H MET 63 11.813 -1.849 -4.102 440 HA MET 63 HA MET 63 9.393 -1.765 -2.581 441 HB2 MET 63 HB2 MET 63 9.805 -1.009 -5.014 442 HB3 MET 63 HB3 MET 63 9.664 -2.713 -5.467 443 HG2 MET 63 HG2 MET 63 7.517 -1.746 -5.796 444 HG3 MET 63 HG3 MET 63 7.391 -2.708 -4.325 445 HE1 MET 63 HE1 MET 63 5.047 -1.289 -4.014 446 HE2 MET 63 HE2 MET 63 5.914 -1.863 -2.572 447 HE3 MET 63 HE3 MET 63 5.221 -0.228 -2.602 448 H GLN 64 H GLN 64 11.129 -4.459 -4.138 449 HA GLN 64 HA GLN 64 9.172 -6.463 -3.290 450 HB2 GLN 64 HB2 GLN 64 11.844 -6.537 -4.699 451 HB3 GLN 64 HB3 GLN 64 11.068 -8.017 -4.127 452 HG2 GLN 64 HG2 GLN 64 9.630 -6.011 -5.935 453 HG3 GLN 64 HG3 GLN 64 10.602 -7.332 -6.560 454 HE21 GLN 64 HE21 GLN 64 8.035 -7.440 -7.432 455 HE22 GLN 64 HE22 GLN 64 7.208 -8.733 -6.569 456 H ASP 65 H ASP 65 12.316 -5.311 -2.055 457 HA ASP 65 HA ASP 65 12.646 -7.194 0.048 458 HB2 ASP 65 HB2 ASP 65 14.283 -5.446 -0.774 459 HB3 ASP 65 HB3 ASP 65 13.312 -4.222 0.054 460 H ALA 66 H ALA 66 10.585 -4.306 -0.186 461 HA ALA 66 HA ALA 66 9.616 -4.443 2.549 462 HB1 ALA 66 HB1 ALA 66 9.651 -2.361 1.216 463 HB2 ALA 66 HB2 ALA 66 8.457 -3.053 0.104 464 HB3 ALA 66 HB3 ALA 66 8.022 -2.747 1.801 465 H ILE 67 H ILE 67 8.096 -5.385 -0.592 466 HA ILE 67 HA ILE 67 5.750 -6.599 0.304 467 HB ILE 67 HB ILE 67 7.595 -7.315 -1.982 468 HG12 ILE 67 HG12 ILE 67 4.839 -5.999 -2.031 469 HG13 ILE 67 HG13 ILE 67 6.321 -5.075 -1.895 470 HG21 ILE 67 HG21 ILE 67 5.763 -8.637 -2.996 471 HG22 ILE 67 HG22 ILE 67 6.330 -9.371 -1.516 472 HG23 ILE 67 HG23 ILE 67 4.805 -8.451 -1.513 473 HD11 ILE 67 HD11 ILE 67 5.460 -6.784 -4.254 474 HD12 ILE 67 HD12 ILE 67 5.767 -5.041 -4.196 475 HD13 ILE 67 HD13 ILE 67 7.116 -6.161 -4.062 476 H GLU 68 H GLU 68 9.004 -8.113 0.225 477 HA GLU 68 HA GLU 68 8.277 -10.699 1.089 478 HB2 GLU 68 HB2 GLU 68 10.488 -10.025 0.205 479 HB3 GLU 68 HB3 GLU 68 10.784 -9.071 1.649 480 HG2 GLU 68 HG2 GLU 68 12.008 -11.130 1.804 481 HG3 GLU 68 HG3 GLU 68 10.743 -11.147 3.027 482 H GLY 69 H GLY 69 9.007 -7.821 3.138 483 HA2 GLY 69 HA2 GLY 69 8.502 -9.207 5.665 484 HA3 GLY 69 HA3 GLY 69 8.680 -7.473 5.409 485 H MET 70 H MET 70 6.587 -7.120 3.505 486 HA MET 70 HA MET 70 4.398 -6.554 5.221 487 HB2 MET 70 HB2 MET 70 4.699 -6.685 2.208 488 HB3 MET 70 HB3 MET 70 3.182 -6.193 2.947 489 HG2 MET 70 HG2 MET 70 5.844 -4.822 3.502 490 HG3 MET 70 HG3 MET 70 4.742 -4.328 2.229 491 HE1 MET 70 HE1 MET 70 4.915 -1.862 3.344 492 HE2 MET 70 HE2 MET 70 4.483 -1.524 5.035 493 HE3 MET 70 HE3 MET 70 5.922 -2.498 4.670 494 H ASN 71 H ASN 71 4.897 -9.378 3.126 495 HA ASN 71 HA ASN 71 2.393 -10.464 2.814 496 HB2 ASN 71 HB2 ASN 71 4.454 -11.383 1.882 497 HB3 ASN 71 HB3 ASN 71 5.036 -11.798 3.498 498 HD21 ASN 71 HD21 ASN 71 5.358 -13.923 2.585 499 HD22 ASN 71 HD22 ASN 71 3.976 -15.037 2.571 500 H GLY 72 H GLY 72 0.861 -10.214 4.404 501 HA2 GLY 72 HA2 GLY 72 -0.451 -11.059 6.108 502 HA3 GLY 72 HA3 GLY 72 0.760 -12.292 6.436 503 H LYS 73 H LYS 73 1.754 -8.888 6.598 504 HA LYS 73 HA LYS 73 2.365 -9.247 9.451 505 HB2 LYS 73 HB2 LYS 73 3.798 -8.073 7.537 506 HB3 LYS 73 HB3 LYS 73 2.864 -6.644 8.002 507 HG2 LYS 73 HG2 LYS 73 3.641 -6.989 10.384 508 HG3 LYS 73 HG3 LYS 73 4.544 -8.406 9.849 509 HD2 LYS 73 HD2 LYS 73 6.123 -6.682 10.052 510 HD3 LYS 73 HD3 LYS 73 5.871 -6.872 8.310 511 HE2 LYS 73 HE2 LYS 73 4.335 -4.912 8.343 512 HE3 LYS 73 HE3 LYS 73 4.555 -4.769 10.099 513 HZ1 LYS 73 HZ1 LYS 73 6.048 -3.232 8.985 514 HZ2 LYS 73 HZ2 LYS 73 6.650 -4.419 8.035 515 HZ3 LYS 73 HZ3 LYS 73 6.949 -4.420 9.662 516 H GLU 74 H GLU 74 1.775 -7.817 11.158 517 HA GLU 74 HA GLU 74 -0.798 -6.367 10.930 518 HB2 GLU 74 HB2 GLU 74 1.223 -6.663 13.171 519 HB3 GLU 74 HB3 GLU 74 -0.220 -5.645 13.274 520 HG2 GLU 74 HG2 GLU 74 -1.695 -7.543 12.966 521 HG3 GLU 74 HG3 GLU 74 -0.336 -8.625 12.648 522 H LEU 75 H LEU 75 -0.958 -4.457 10.036 523 HA LEU 75 HA LEU 75 1.148 -2.378 10.383 524 HB2 LEU 75 HB2 LEU 75 0.655 -3.713 7.946 525 HB3 LEU 75 HB3 LEU 75 -0.373 -2.297 7.836 526 HG LEU 75 HG LEU 75 1.779 -0.969 8.596 527 HD11 LEU 75 HD11 LEU 75 3.001 -3.518 7.440 528 HD12 LEU 75 HD12 LEU 75 3.067 -3.045 9.155 529 HD13 LEU 75 HD13 LEU 75 3.882 -2.055 7.929 530 HD21 LEU 75 HD21 LEU 75 0.743 -0.830 6.348 531 HD22 LEU 75 HD22 LEU 75 1.684 -2.257 5.843 532 HD23 LEU 75 HD23 LEU 75 2.507 -0.753 6.275 533 H ASP 76 H ASP 76 0.272 -0.408 11.044 534 HA ASP 76 HA ASP 76 -1.232 0.796 12.239 535 HB2 ASP 76 HB2 ASP 76 -1.994 1.200 9.801 536 HB3 ASP 76 HB3 ASP 76 -3.368 0.171 10.170 537 H GLY 77 H GLY 77 -1.000 -2.080 12.790 538 HA2 GLY 77 HA2 GLY 77 -1.841 -3.586 14.355 539 HA3 GLY 77 HA3 GLY 77 -3.287 -2.593 14.545 540 H ARG 78 H ARG 78 -3.250 -2.916 11.318 541 HA ARG 78 HA ARG 78 -5.336 -5.028 11.345 542 HB2 ARG 78 HB2 ARG 78 -4.461 -3.101 9.154 543 HB3 ARG 78 HB3 ARG 78 -5.912 -4.100 9.140 544 HG2 ARG 78 HG2 ARG 78 -5.362 -1.752 11.017 545 HG3 ARG 78 HG3 ARG 78 -6.397 -1.727 9.596 546 HD2 ARG 78 HD2 ARG 78 -7.863 -3.455 10.631 547 HD3 ARG 78 HD3 ARG 78 -6.842 -3.439 12.070 548 HE ARG 78 HE ARG 78 -7.477 -1.151 12.518 549 HH11 ARG 78 HH11 ARG 78 -9.567 -2.612 10.049 550 HH12 ARG 78 HH12 ARG 78 -10.930 -1.653 10.597 551 HH21 ARG 78 HH21 ARG 78 -9.311 0.151 12.942 552 HH22 ARG 78 HH22 ARG 78 -10.765 -0.222 12.034 553 H SER 79 H SER 79 -5.317 -6.807 9.909 554 HA SER 79 HA SER 79 -2.613 -7.824 9.322 555 HB2 SER 79 HB2 SER 79 -5.369 -9.044 8.990 556 HB3 SER 79 HB3 SER 79 -3.846 -9.871 8.615 557 HG SER 79 HG SER 79 -4.424 -8.706 11.164 558 H ILE 80 H ILE 80 -1.562 -7.158 7.565 559 HA ILE 80 HA ILE 80 -3.079 -6.216 5.244 560 HB ILE 80 HB ILE 80 -1.220 -4.935 6.394 561 HG12 ILE 80 HG12 ILE 80 -0.961 -5.195 3.364 562 HG13 ILE 80 HG13 ILE 80 -2.296 -4.379 4.170 563 HG21 ILE 80 HG21 ILE 80 1.067 -5.314 5.780 564 HG22 ILE 80 HG22 ILE 80 0.451 -6.877 6.316 565 HG23 ILE 80 HG23 ILE 80 0.623 -6.553 4.591 566 HD11 ILE 80 HD11 ILE 80 0.624 -3.582 4.247 567 HD12 ILE 80 HD12 ILE 80 -0.738 -2.693 3.549 568 HD13 ILE 80 HD13 ILE 80 -0.628 -2.868 5.303 569 H VAL 81 H VAL 81 -2.624 -6.707 3.096 570 HA VAL 81 HA VAL 81 -1.172 -9.217 2.476 571 HB VAL 81 HB VAL 81 -4.019 -8.569 1.619 572 HG11 VAL 81 HG11 VAL 81 -3.916 -10.566 0.164 573 HG12 VAL 81 HG12 VAL 81 -2.847 -9.293 -0.415 574 HG13 VAL 81 HG13 VAL 81 -2.171 -10.695 0.452 575 HG21 VAL 81 HG21 VAL 81 -4.379 -10.935 2.431 576 HG22 VAL 81 HG22 VAL 81 -2.692 -10.958 2.988 577 HG23 VAL 81 HG23 VAL 81 -3.864 -9.824 3.700 578 H VAL 82 H VAL 82 -0.045 -9.120 0.625 579 HA VAL 82 HA VAL 82 -0.024 -6.539 -0.884 580 HB VAL 82 HB VAL 82 2.458 -6.936 -1.160 581 HG11 VAL 82 HG11 VAL 82 1.376 -6.170 1.569 582 HG12 VAL 82 HG12 VAL 82 2.902 -5.620 0.794 583 HG13 VAL 82 HG13 VAL 82 1.357 -5.141 0.112 584 HG21 VAL 82 HG21 VAL 82 3.639 -8.060 0.633 585 HG22 VAL 82 HG22 VAL 82 2.120 -8.539 1.411 586 HG23 VAL 82 HG23 VAL 82 2.581 -9.232 -0.157 587 H ASN 83 H ASN 83 0.256 -6.625 -3.102 588 HA ASN 83 HA ASN 83 1.601 -8.897 -4.256 589 HB2 ASN 83 HB2 ASN 83 -0.053 -9.427 -6.007 590 HB3 ASN 83 HB3 ASN 83 -0.571 -9.881 -4.388 591 HD21 ASN 83 HD21 ASN 83 -2.623 -9.228 -3.737 592 HD22 ASN 83 HD22 ASN 83 -3.579 -8.074 -4.639 593 H GLU 84 H GLU 84 2.432 -8.553 -6.320 594 HA GLU 84 HA GLU 84 3.239 -5.897 -6.959 595 HB2 GLU 84 HB2 GLU 84 4.239 -6.894 -8.924 596 HB3 GLU 84 HB3 GLU 84 4.542 -7.853 -7.488 597 HG2 GLU 84 HG2 GLU 84 4.093 -9.478 -9.080 598 HG3 GLU 84 HG3 GLU 84 2.565 -9.360 -8.217 599 H ALA 85 H ALA 85 2.763 -4.499 -8.728 600 HA ALA 85 HA ALA 85 -0.103 -4.677 -9.497 601 HB1 ALA 85 HB1 ALA 85 1.721 -2.259 -9.428 602 HB2 ALA 85 HB2 ALA 85 -0.054 -2.286 -9.560 603 HB3 ALA 85 HB3 ALA 85 0.715 -2.809 -8.062 604 H GLN 86 H GLN 86 2.971 -4.996 -11.064 605 HA GLN 86 HA GLN 86 2.393 -3.842 -13.567 606 HB2 GLN 86 HB2 GLN 86 4.601 -4.601 -12.703 607 HB3 GLN 86 HB3 GLN 86 4.148 -6.272 -13.019 608 HG2 GLN 86 HG2 GLN 86 4.166 -4.092 -15.159 609 HG3 GLN 86 HG3 GLN 86 5.589 -5.031 -14.733 610 HE21 GLN 86 HE21 GLN 86 3.928 -4.868 -17.292 611 HE22 GLN 86 HE22 GLN 86 3.801 -6.574 -17.706 612 H SER 87 H SER 87 1.274 -6.953 -12.296 613 HA SER 87 HA SER 87 0.211 -8.177 -14.591 614 HB2 SER 87 HB2 SER 87 -1.661 -8.886 -12.912 615 HB3 SER 87 HB3 SER 87 0.007 -9.386 -12.616 616 HG SER 87 HG SER 87 0.104 -8.249 -10.923 617 H ARG 88 H ARG 88 -0.936 -5.221 -13.061 618 HA ARG 88 HA ARG 88 -3.435 -5.132 -14.674 619 HB2 ARG 88 HB2 ARG 88 -2.244 -3.185 -12.663 620 HB3 ARG 88 HB3 ARG 88 -3.711 -2.896 -13.577 621 HG2 ARG 88 HG2 ARG 88 -4.271 -3.577 -11.376 622 HG3 ARG 88 HG3 ARG 88 -4.819 -4.813 -12.508 623 HD2 ARG 88 HD2 ARG 88 -3.242 -6.385 -11.753 624 HD3 ARG 88 HD3 ARG 88 -2.136 -5.130 -11.155 625 HE ARG 88 HE ARG 88 -4.512 -4.950 -9.631 626 HH11 ARG 88 HH11 ARG 88 -1.775 -7.197 -9.916 627 HH12 ARG 88 HH12 ARG 88 -1.731 -7.366 -8.180 628 HH21 ARG 88 HH21 ARG 88 -4.410 -5.369 -7.544 629 HH22 ARG 88 HH22 ARG 88 -3.222 -6.548 -6.927 630 H GLY 89 H GLY 89 -0.160 -4.178 -15.068 631 HA2 GLY 89 HA2 GLY 89 -0.693 -2.070 -17.076 632 HA3 GLY 89 HA3 GLY 89 0.875 -2.663 -16.530 633 H TYR 90 H TYR 90 0.847 -5.316 -16.948 634 HA TYR 90 HA TYR 90 1.250 -6.915 -18.481 635 HB2 TYR 90 HB2 TYR 90 -1.254 -6.876 -18.192 636 HB3 TYR 90 HB3 TYR 90 -1.367 -6.034 -19.726 637 HD1 TYR 90 HD2 TYR 90 0.141 -9.153 -18.216 638 HD2 TYR 90 HD1 TYR 90 -1.774 -7.352 -21.635 639 HE1 TYR 90 HE2 TYR 90 -0.058 -11.388 -19.288 640 HE2 TYR 90 HE1 TYR 90 -1.962 -9.583 -22.708 641 HH TYR 90 HH TYR 90 -1.568 -11.819 -22.515 642 H GLY 91 H GLY 91 2.352 -4.222 -19.195 643 HA2 GLY 91 HA2 GLY 91 3.674 -3.351 -20.868 644 HA3 GLY 91 HA3 GLY 91 3.513 -4.893 -21.710 645 H GLY 92 H GLY 92 3.459 -3.803 -23.683 646 HA2 GLY 92 HA2 GLY 92 0.775 -2.962 -24.580 647 HA3 GLY 92 HA3 GLY 92 2.083 -1.793 -24.807 Start of MODEL 15 1 H1 MET 1 H1 MET 1 15.146 9.206 -11.908 2 H2 MET 1 H2 MET 1 13.505 9.123 -12.130 3 H3 MET 1 H3 MET 1 14.502 9.391 -13.396 4 HA MET 1 HA MET 1 15.494 7.243 -13.157 5 HB2 MET 1 HB2 MET 1 14.340 5.547 -11.730 6 HB3 MET 1 HB3 MET 1 15.231 6.795 -10.858 7 HG2 MET 1 HG2 MET 1 13.273 6.499 -9.622 8 HG3 MET 1 HG3 MET 1 13.006 7.986 -10.505 9 HE1 MET 1 HE1 MET 1 10.785 3.998 -10.867 10 HE2 MET 1 HE2 MET 1 12.479 4.044 -11.404 11 HE3 MET 1 HE3 MET 1 12.057 4.449 -9.723 12 H ALA 2 H ALA 2 14.546 5.254 -14.110 13 HA ALA 2 HA ALA 2 12.302 6.042 -15.932 14 HB1 ALA 2 HB1 ALA 2 14.479 6.331 -16.989 15 HB2 ALA 2 HB2 ALA 2 14.932 4.664 -16.575 16 HB3 ALA 2 HB3 ALA 2 13.607 4.969 -17.719 17 H GLU 3 H GLU 3 10.674 4.900 -15.039 18 HA GLU 3 HA GLU 3 10.720 1.974 -14.729 19 HB2 GLU 3 HB2 GLU 3 8.397 3.918 -14.938 20 HB3 GLU 3 HB3 GLU 3 8.287 2.207 -14.528 21 HG2 GLU 3 HG2 GLU 3 9.682 2.685 -12.489 22 HG3 GLU 3 HG3 GLU 3 9.608 4.412 -12.897 23 H SER 4 H SER 4 11.666 1.386 -16.720 24 HA SER 4 HA SER 4 10.573 1.947 -19.323 25 HB2 SER 4 HB2 SER 4 12.378 -0.285 -18.314 26 HB3 SER 4 HB3 SER 4 12.105 0.112 -20.014 27 HG SER 4 HG SER 4 12.897 2.228 -19.588 28 H ASP 5 H ASP 5 9.730 0.120 -20.837 29 HA ASP 5 HA ASP 5 7.264 -0.833 -19.634 30 HB2 ASP 5 HB2 ASP 5 8.474 -1.365 -22.357 31 HB3 ASP 5 HB3 ASP 5 6.900 -1.963 -21.848 32 H GLY 6 H GLY 6 10.388 -2.426 -19.921 33 HA2 GLY 6 HA2 GLY 6 9.369 -5.080 -19.258 34 HA3 GLY 6 HA3 GLY 6 11.040 -4.525 -19.210 35 H ALA 7 H ALA 7 9.967 -2.236 -17.257 36 HA ALA 7 HA ALA 7 9.372 -3.789 -14.865 37 HB1 ALA 7 HB1 ALA 7 12.039 -2.326 -15.064 38 HB2 ALA 7 HB2 ALA 7 11.397 -3.177 -13.644 39 HB3 ALA 7 HB3 ALA 7 11.837 -4.091 -15.093 40 H GLU 8 H GLU 8 7.983 -2.709 -13.730 41 HA GLU 8 HA GLU 8 8.362 0.187 -13.206 42 HB2 GLU 8 HB2 GLU 8 6.078 0.697 -13.416 43 HB3 GLU 8 HB3 GLU 8 6.509 -0.153 -14.875 44 HG2 GLU 8 HG2 GLU 8 5.472 -2.205 -14.059 45 HG3 GLU 8 HG3 GLU 8 5.097 -1.460 -12.503 46 H TYR 9 H TYR 9 7.656 0.864 -11.055 47 HA TYR 9 HA TYR 9 7.934 -1.445 -9.131 48 HB2 TYR 9 HB2 TYR 9 8.933 1.373 -8.764 49 HB3 TYR 9 HB3 TYR 9 9.336 -0.054 -7.818 50 HD1 TYR 9 HD2 TYR 9 9.962 -1.921 -10.292 51 HD2 TYR 9 HD1 TYR 9 11.119 2.075 -9.161 52 HE1 TYR 9 HE2 TYR 9 11.965 -2.087 -11.749 53 HE2 TYR 9 HE1 TYR 9 13.156 1.881 -10.594 54 HH TYR 9 HH TYR 9 13.844 -1.031 -12.566 55 H ARG 10 H ARG 10 5.581 -1.584 -9.035 56 HA ARG 10 HA ARG 10 4.736 -0.119 -6.656 57 HB2 ARG 10 HB2 ARG 10 2.519 0.548 -7.484 58 HB3 ARG 10 HB3 ARG 10 3.871 1.375 -8.225 59 HG2 ARG 10 HG2 ARG 10 3.604 -0.264 -10.220 60 HG3 ARG 10 HG3 ARG 10 2.090 -0.746 -9.481 61 HD2 ARG 10 HD2 ARG 10 1.781 1.001 -11.243 62 HD3 ARG 10 HD3 ARG 10 1.180 1.496 -9.661 63 HE ARG 10 HE ARG 10 2.632 3.264 -9.708 64 HH11 ARG 10 HH11 ARG 10 3.978 1.042 -12.105 65 HH12 ARG 10 HH12 ARG 10 5.549 1.871 -11.973 66 HH21 ARG 10 HH21 ARG 10 4.704 4.207 -9.781 67 HH22 ARG 10 HH22 ARG 10 5.878 3.509 -10.903 68 H CYS 11 H CYS 11 3.035 -0.976 -5.481 69 HA CYS 11 HA CYS 11 2.148 -3.714 -6.224 70 HB2 CYS 11 HB2 CYS 11 2.645 -4.574 -4.031 71 HB3 CYS 11 HB3 CYS 11 4.113 -3.858 -4.686 72 HG CYS 11 HG CYS 11 1.922 -2.338 -2.697 73 H PHE 12 H PHE 12 0.241 -4.417 -5.345 74 HA PHE 12 HA PHE 12 -1.759 -2.412 -4.513 75 HB2 PHE 12 HB2 PHE 12 -2.320 -4.158 -6.148 76 HB3 PHE 12 HB3 PHE 12 -1.813 -5.406 -5.018 77 HD1 PHE 12 HD1 PHE 12 -4.128 -2.406 -4.908 78 HD2 PHE 12 HD2 PHE 12 -3.584 -6.617 -4.128 79 HE1 PHE 12 HE1 PHE 12 -6.493 -2.581 -4.182 80 HE2 PHE 12 HE2 PHE 12 -5.948 -6.777 -3.383 81 HZ PHE 12 HZ PHE 12 -7.409 -4.758 -3.431 82 H VAL 13 H VAL 13 -2.642 -2.343 -2.474 83 HA VAL 13 HA VAL 13 -1.402 -3.897 -0.247 84 HB VAL 13 HB VAL 13 -1.799 -0.875 -0.159 85 HG11 VAL 13 HG11 VAL 13 -0.150 -1.013 1.671 86 HG12 VAL 13 HG12 VAL 13 -1.568 -2.021 2.014 87 HG13 VAL 13 HG13 VAL 13 -0.051 -2.770 1.452 88 HG21 VAL 13 HG21 VAL 13 -0.115 -1.112 -1.891 89 HG22 VAL 13 HG22 VAL 13 0.638 -0.561 -0.393 90 HG23 VAL 13 HG23 VAL 13 0.804 -2.266 -0.886 91 H GLY 14 H GLY 14 -2.944 -4.375 1.408 92 HA2 GLY 14 HA2 GLY 14 -5.119 -2.441 1.807 93 HA3 GLY 14 HA3 GLY 14 -5.699 -4.009 1.304 94 H SER 15 H SER 15 -5.648 -2.193 3.768 95 HA SER 15 HA SER 15 -5.680 -4.137 5.894 96 HB2 SER 15 HB2 SER 15 -3.121 -3.479 5.457 97 HB3 SER 15 HB3 SER 15 -3.557 -2.015 6.369 98 HG SER 15 HG SER 15 -4.145 -3.265 8.070 99 H LEU 16 H LEU 16 -6.960 -1.406 4.624 100 HA LEU 16 HA LEU 16 -6.413 0.403 6.904 101 HB2 LEU 16 HB2 LEU 16 -7.612 1.344 4.326 102 HB3 LEU 16 HB3 LEU 16 -6.728 2.261 5.453 103 HG LEU 16 HG LEU 16 -5.640 0.195 3.508 104 HD11 LEU 16 HD11 LEU 16 -6.467 2.460 2.717 105 HD12 LEU 16 HD12 LEU 16 -4.770 2.084 2.336 106 HD13 LEU 16 HD13 LEU 16 -5.171 3.194 3.681 107 HD21 LEU 16 HD21 LEU 16 -3.443 0.692 4.218 108 HD22 LEU 16 HD22 LEU 16 -4.327 0.243 5.674 109 HD23 LEU 16 HD23 LEU 16 -3.996 1.955 5.348 110 H SER 17 H SER 17 -7.981 2.073 7.326 111 HA SER 17 HA SER 17 -10.810 1.270 7.430 112 HB2 SER 17 HB2 SER 17 -10.971 1.226 9.809 113 HB3 SER 17 HB3 SER 17 -9.614 0.163 9.399 114 HG SER 17 HG SER 17 -9.025 1.524 11.076 115 H TRP 18 H TRP 18 -12.010 3.041 8.804 116 HA TRP 18 HA TRP 18 -11.666 5.702 8.001 117 HB2 TRP 18 HB2 TRP 18 -12.916 6.218 10.111 118 HB3 TRP 18 HB3 TRP 18 -13.638 4.963 9.121 119 HD1 TRP 18 HD1 TRP 18 -13.815 2.537 10.105 120 HE1 TRP 18 HE1 TRP 18 -13.459 1.483 12.411 121 HE3 TRP 18 HE3 TRP 18 -11.572 6.506 12.448 122 HZ2 TRP 18 HZ2 TRP 18 -12.390 2.288 14.964 123 HZ3 TRP 18 HZ3 TRP 18 -10.959 6.349 14.847 124 HH2 TRP 18 HH2 TRP 18 -11.354 4.247 16.112 125 H ASN 19 H ASN 19 -9.647 3.995 10.400 126 HA ASN 19 HA ASN 19 -8.517 6.483 11.493 127 HB2 ASN 19 HB2 ASN 19 -8.867 4.401 12.841 128 HB3 ASN 19 HB3 ASN 19 -7.669 3.571 11.846 129 HD21 ASN 19 HD21 ASN 19 -5.369 4.016 12.228 130 HD22 ASN 19 HD22 ASN 19 -4.919 5.056 13.574 131 H THR 20 H THR 20 -7.442 3.964 9.156 132 HA THR 20 HA THR 20 -4.795 5.220 8.908 133 HB THR 20 HB THR 20 -5.493 3.053 7.032 134 HG1 THR 20 HG1 THR 20 -5.243 2.436 9.778 135 HG21 THR 20 HG21 THR 20 -3.330 2.140 7.845 136 HG22 THR 20 HG22 THR 20 -3.200 3.506 8.972 137 HG23 THR 20 HG23 THR 20 -3.184 3.789 7.219 138 H ASP 21 H ASP 21 -3.845 6.034 6.985 139 HA ASP 21 HA ASP 21 -5.426 5.994 4.567 140 HB2 ASP 21 HB2 ASP 21 -5.413 8.443 4.201 141 HB3 ASP 21 HB3 ASP 21 -6.259 8.059 5.687 142 H ASP 22 H ASP 22 -3.884 7.770 2.909 143 HA ASP 22 HA ASP 22 -1.741 6.091 2.212 144 HB2 ASP 22 HB2 ASP 22 -0.827 7.938 0.860 145 HB3 ASP 22 HB3 ASP 22 -2.489 7.654 0.498 146 H ARG 23 H ARG 23 -1.697 8.819 4.512 147 HA ARG 23 HA ARG 23 1.140 9.174 4.658 148 HB2 ARG 23 HB2 ARG 23 -1.056 9.629 6.717 149 HB3 ARG 23 HB3 ARG 23 0.607 10.183 6.915 150 HG2 ARG 23 HG2 ARG 23 0.476 11.649 5.010 151 HG3 ARG 23 HG3 ARG 23 -1.104 11.020 4.530 152 HD2 ARG 23 HD2 ARG 23 -0.569 12.484 7.146 153 HD3 ARG 23 HD3 ARG 23 -1.207 13.231 5.671 154 HE ARG 23 HE ARG 23 -2.794 10.932 6.349 155 HH11 ARG 23 HH11 ARG 23 -2.433 14.332 7.147 156 HH12 ARG 23 HH12 ARG 23 -4.016 14.418 7.875 157 HH21 ARG 23 HH21 ARG 23 -4.722 11.069 7.345 158 HH22 ARG 23 HH22 ARG 23 -5.292 12.589 8.024 159 H GLY 24 H GLY 24 -0.941 6.755 6.147 160 HA2 GLY 24 HA2 GLY 24 1.010 5.766 8.063 161 HA3 GLY 24 HA3 GLY 24 -0.524 5.019 7.597 162 H LEU 25 H LEU 25 -0.038 4.749 4.765 163 HA LEU 25 HA LEU 25 1.811 2.483 4.676 164 HB2 LEU 25 HB2 LEU 25 0.543 3.959 2.307 165 HB3 LEU 25 HB3 LEU 25 1.454 2.501 2.256 166 HG LEU 25 HG LEU 25 -0.738 1.859 1.990 167 HD11 LEU 25 HD11 LEU 25 0.561 0.448 3.604 168 HD12 LEU 25 HD12 LEU 25 -1.195 0.344 3.805 169 HD13 LEU 25 HD13 LEU 25 -0.234 1.313 4.939 170 HD21 LEU 25 HD21 LEU 25 -1.655 3.235 4.533 171 HD22 LEU 25 HD22 LEU 25 -2.615 2.514 3.227 172 HD23 LEU 25 HD23 LEU 25 -1.728 3.996 2.929 173 H GLU 26 H GLU 26 1.934 5.838 3.433 174 HA GLU 26 HA GLU 26 4.490 5.821 2.252 175 HB2 GLU 26 HB2 GLU 26 2.711 7.589 2.164 176 HB3 GLU 26 HB3 GLU 26 3.102 8.024 3.827 177 HG2 GLU 26 HG2 GLU 26 5.442 8.595 3.003 178 HG3 GLU 26 HG3 GLU 26 4.852 8.328 1.357 179 H ALA 27 H ALA 27 3.632 6.157 5.718 180 HA ALA 27 HA ALA 27 6.392 6.495 6.577 181 HB1 ALA 27 HB1 ALA 27 5.371 6.370 8.815 182 HB2 ALA 27 HB2 ALA 27 4.525 7.499 7.754 183 HB3 ALA 27 HB3 ALA 27 3.819 5.895 8.095 184 H ALA 28 H ALA 28 4.172 3.662 6.425 185 HA ALA 28 HA ALA 28 5.993 1.906 7.816 186 HB1 ALA 28 HB1 ALA 28 4.432 0.150 7.047 187 HB2 ALA 28 HB2 ALA 28 3.578 1.520 7.777 188 HB3 ALA 28 HB3 ALA 28 3.612 1.331 6.004 189 H PHE 29 H PHE 29 5.676 2.769 4.401 190 HA PHE 29 HA PHE 29 7.625 0.684 3.585 191 HB2 PHE 29 HB2 PHE 29 5.838 2.624 2.106 192 HB3 PHE 29 HB3 PHE 29 7.177 1.832 1.303 193 HD1 PHE 29 HD2 PHE 29 4.009 1.076 3.178 194 HD2 PHE 29 HD1 PHE 29 7.010 -0.346 0.431 195 HE1 PHE 29 HE2 PHE 29 2.581 -0.876 2.626 196 HE2 PHE 29 HE1 PHE 29 5.572 -2.289 -0.127 197 HZ PHE 29 HZ PHE 29 3.353 -2.552 0.962 198 H SER 30 H SER 30 7.714 4.167 4.338 199 HA SER 30 HA SER 30 9.997 4.739 2.727 200 HB2 SER 30 HB2 SER 30 10.319 6.713 4.322 201 HB3 SER 30 HB3 SER 30 8.857 6.620 3.335 202 HG SER 30 HG SER 30 7.669 6.232 4.984 203 H SER 31 H SER 31 9.923 2.873 5.630 204 HA SER 31 HA SER 31 12.703 3.254 6.375 205 HB2 SER 31 HB2 SER 31 12.280 1.058 7.593 206 HB3 SER 31 HB3 SER 31 11.274 2.446 8.042 207 HG SER 31 HG SER 31 9.836 0.879 7.779 208 H PHE 32 H PHE 32 11.191 1.570 3.730 209 HA PHE 32 HA PHE 32 13.604 -0.092 3.223 210 HB2 PHE 32 HB2 PHE 32 10.901 0.012 1.852 211 HB3 PHE 32 HB3 PHE 32 12.222 -1.056 1.418 212 HD1 PHE 32 HD2 PHE 32 9.725 -0.290 4.083 213 HD2 PHE 32 HD1 PHE 32 12.746 -3.035 2.697 214 HE1 PHE 32 HE2 PHE 32 8.940 -1.973 5.715 215 HE2 PHE 32 HE1 PHE 32 11.938 -4.732 4.324 216 HZ PHE 32 HZ PHE 32 10.028 -4.207 5.825 217 H GLY 33 H GLY 33 12.108 2.886 2.012 218 HA2 GLY 33 HA2 GLY 33 14.370 3.699 0.539 219 HA3 GLY 33 HA3 GLY 33 13.291 2.866 -0.586 220 H GLU 34 H GLU 34 13.394 4.994 -1.628 221 HA GLU 34 HA GLU 34 11.904 7.214 -0.328 222 HB2 GLU 34 HB2 GLU 34 13.702 7.065 -2.767 223 HB3 GLU 34 HB3 GLU 34 12.807 8.518 -2.295 224 HG2 GLU 34 HG2 GLU 34 13.900 8.591 -0.129 225 HG3 GLU 34 HG3 GLU 34 14.722 7.064 -0.433 226 H ILE 35 H ILE 35 9.834 7.527 -0.657 227 HA ILE 35 HA ILE 35 8.324 5.832 -2.410 228 HB ILE 35 HB ILE 35 7.636 8.123 -0.561 229 HG12 ILE 35 HG12 ILE 35 8.278 5.959 0.462 230 HG13 ILE 35 HG13 ILE 35 6.632 6.435 0.833 231 HG21 ILE 35 HG21 ILE 35 5.912 8.353 -2.210 232 HG22 ILE 35 HG22 ILE 35 5.616 6.600 -2.253 233 HG23 ILE 35 HG23 ILE 35 5.216 7.547 -0.813 234 HD11 ILE 35 HD11 ILE 35 7.447 4.297 -1.194 235 HD12 ILE 35 HD12 ILE 35 6.723 4.049 0.399 236 HD13 ILE 35 HD13 ILE 35 5.777 4.812 -0.886 237 H LEU 36 H LEU 36 7.115 6.170 -4.163 238 HA LEU 36 HA LEU 36 7.463 8.704 -5.726 239 HB2 LEU 36 HB2 LEU 36 6.593 5.920 -6.584 240 HB3 LEU 36 HB3 LEU 36 6.609 7.329 -7.631 241 HG LEU 36 HG LEU 36 9.081 6.130 -6.304 242 HD11 LEU 36 HD11 LEU 36 9.664 5.339 -8.550 243 HD12 LEU 36 HD12 LEU 36 8.121 5.952 -9.187 244 HD13 LEU 36 HD13 LEU 36 8.144 4.624 -8.006 245 HD21 LEU 36 HD21 LEU 36 10.309 7.550 -7.953 246 HD22 LEU 36 HD22 LEU 36 9.412 8.499 -6.765 247 HD23 LEU 36 HD23 LEU 36 8.770 8.311 -8.415 248 H ASP 37 H ASP 37 4.954 6.347 -4.603 249 HA ASP 37 HA ASP 37 2.941 8.486 -4.439 250 HB2 ASP 37 HB2 ASP 37 2.746 6.214 -6.465 251 HB3 ASP 37 HB3 ASP 37 1.354 7.123 -5.899 252 H ALA 38 H ALA 38 1.065 7.862 -3.189 253 HA ALA 38 HA ALA 38 0.665 5.060 -2.514 254 HB1 ALA 38 HB1 ALA 38 2.087 5.781 -0.657 255 HB2 ALA 38 HB2 ALA 38 1.082 7.221 -0.398 256 HB3 ALA 38 HB3 ALA 38 0.415 5.602 -0.083 257 H LYS 39 H LYS 39 -1.395 4.764 -3.080 258 HA LYS 39 HA LYS 39 -3.372 7.005 -3.032 259 HB2 LYS 39 HB2 LYS 39 -3.161 5.844 -5.162 260 HB3 LYS 39 HB3 LYS 39 -3.330 4.279 -4.390 261 HG2 LYS 39 HG2 LYS 39 -5.351 4.777 -5.559 262 HG3 LYS 39 HG3 LYS 39 -5.740 4.782 -3.843 263 HD2 LYS 39 HD2 LYS 39 -5.625 7.314 -3.886 264 HD3 LYS 39 HD3 LYS 39 -5.221 7.242 -5.609 265 HE2 LYS 39 HE2 LYS 39 -7.392 5.990 -5.992 266 HE3 LYS 39 HE3 LYS 39 -7.796 6.266 -4.291 267 HZ1 LYS 39 HZ1 LYS 39 -8.814 7.925 -5.640 268 HZ2 LYS 39 HZ2 LYS 39 -7.381 8.363 -6.347 269 HZ3 LYS 39 HZ3 LYS 39 -7.671 8.670 -4.742 270 H ILE 40 H ILE 40 -5.165 6.944 -1.800 271 HA ILE 40 HA ILE 40 -5.931 4.435 -0.409 272 HB ILE 40 HB ILE 40 -4.919 5.794 1.251 273 HG12 ILE 40 HG12 ILE 40 -7.157 4.535 1.629 274 HG13 ILE 40 HG13 ILE 40 -6.439 5.527 2.866 275 HG21 ILE 40 HG21 ILE 40 -4.986 8.021 0.333 276 HG22 ILE 40 HG22 ILE 40 -6.753 8.084 0.442 277 HG23 ILE 40 HG23 ILE 40 -5.765 8.043 1.912 278 HD11 ILE 40 HD11 ILE 40 -8.917 5.801 2.716 279 HD12 ILE 40 HD12 ILE 40 -8.048 7.321 2.517 280 HD13 ILE 40 HD13 ILE 40 -8.735 6.498 1.103 281 H ILE 41 H ILE 41 -8.043 3.910 -0.555 282 HA ILE 41 HA ILE 41 -9.809 5.779 -2.072 283 HB ILE 41 HB ILE 41 -8.829 4.236 -3.544 284 HG12 ILE 41 HG12 ILE 41 -11.746 3.468 -3.227 285 HG13 ILE 41 HG13 ILE 41 -11.195 5.016 -3.855 286 HG21 ILE 41 HG21 ILE 41 -9.058 2.273 -1.517 287 HG22 ILE 41 HG22 ILE 41 -10.106 1.723 -2.821 288 HG23 ILE 41 HG23 ILE 41 -8.386 2.125 -3.147 289 HD11 ILE 41 HD11 ILE 41 -10.554 2.302 -5.092 290 HD12 ILE 41 HD12 ILE 41 -11.710 3.497 -5.699 291 HD13 ILE 41 HD13 ILE 41 -9.984 3.881 -5.685 292 H ASN 42 H ASN 42 -11.856 5.939 -1.785 293 HA ASN 42 HA ASN 42 -13.454 4.453 0.143 294 HB2 ASN 42 HB2 ASN 42 -13.833 6.475 1.571 295 HB3 ASN 42 HB3 ASN 42 -12.178 5.890 1.647 296 HD21 ASN 42 HD21 ASN 42 -11.514 7.969 2.485 297 HD22 ASN 42 HD22 ASN 42 -11.310 9.298 1.349 298 H ASP 43 H ASP 43 -15.695 5.444 0.252 299 HA ASP 43 HA ASP 43 -16.454 7.199 -2.045 300 HB2 ASP 43 HB2 ASP 43 -17.690 4.557 -1.205 301 HB3 ASP 43 HB3 ASP 43 -18.645 5.802 -2.003 302 H ARG 44 H ARG 44 -16.703 9.055 -0.893 303 HA ARG 44 HA ARG 44 -17.672 9.120 1.800 304 HB2 ARG 44 HB2 ARG 44 -17.336 11.467 1.733 305 HB3 ARG 44 HB3 ARG 44 -16.011 10.681 0.880 306 HG2 ARG 44 HG2 ARG 44 -17.112 11.271 -1.303 307 HG3 ARG 44 HG3 ARG 44 -18.403 12.092 -0.404 308 HD2 ARG 44 HD2 ARG 44 -16.697 13.602 0.626 309 HD3 ARG 44 HD3 ARG 44 -15.438 12.791 -0.306 310 HE ARG 44 HE ARG 44 -16.125 13.840 -2.257 311 HH11 ARG 44 HH11 ARG 44 -18.439 14.729 0.309 312 HH12 ARG 44 HH12 ARG 44 -19.176 15.920 -0.735 313 HH21 ARG 44 HH21 ARG 44 -17.141 15.500 -3.405 314 HH22 ARG 44 HH22 ARG 44 -18.308 16.503 -2.544 315 H GLU 45 H GLU 45 -19.602 9.017 -1.035 316 HA GLU 45 HA GLU 45 -21.915 10.431 0.061 317 HB2 GLU 45 HB2 GLU 45 -21.520 9.978 -2.384 318 HB3 GLU 45 HB3 GLU 45 -21.834 8.262 -2.071 319 HG2 GLU 45 HG2 GLU 45 -24.121 8.892 -1.223 320 HG3 GLU 45 HG3 GLU 45 -23.780 10.574 -1.648 321 H THR 46 H THR 46 -20.789 7.016 0.055 322 HA THR 46 HA THR 46 -22.984 6.246 1.909 323 HB THR 46 HB THR 46 -22.351 3.969 1.511 324 HG1 THR 46 HG1 THR 46 -20.667 3.435 0.237 325 HG21 THR 46 HG21 THR 46 -23.747 5.146 -0.266 326 HG22 THR 46 HG22 THR 46 -22.856 3.720 -0.823 327 HG23 THR 46 HG23 THR 46 -22.256 5.344 -1.211 328 H GLY 47 H GLY 47 -19.925 7.508 2.168 329 HA2 GLY 47 HA2 GLY 47 -18.568 7.889 3.995 330 HA3 GLY 47 HA3 GLY 47 -19.714 7.014 5.019 331 H ARG 48 H ARG 48 -18.541 5.292 2.232 332 HA ARG 48 HA ARG 48 -17.430 3.266 4.066 333 HB2 ARG 48 HB2 ARG 48 -19.193 2.762 2.430 334 HB3 ARG 48 HB3 ARG 48 -18.114 3.150 1.096 335 HG2 ARG 48 HG2 ARG 48 -17.343 1.032 3.134 336 HG3 ARG 48 HG3 ARG 48 -18.529 0.677 1.879 337 HD2 ARG 48 HD2 ARG 48 -16.972 1.154 0.111 338 HD3 ARG 48 HD3 ARG 48 -15.729 1.661 1.253 339 HE ARG 48 HE ARG 48 -15.890 -0.714 2.198 340 HH11 ARG 48 HH11 ARG 48 -16.495 -0.178 -1.270 341 HH12 ARG 48 HH12 ARG 48 -16.182 -1.884 -1.566 342 HH21 ARG 48 HH21 ARG 48 -15.276 -2.767 1.550 343 HH22 ARG 48 HH22 ARG 48 -15.445 -3.192 -0.132 344 H SER 49 H SER 49 -15.317 3.311 4.556 345 HA SER 49 HA SER 49 -13.283 4.151 2.559 346 HB2 SER 49 HB2 SER 49 -13.090 3.075 5.385 347 HB3 SER 49 HB3 SER 49 -11.684 3.313 4.331 348 HG SER 49 HG SER 49 -13.535 5.266 5.276 349 H ARG 50 H ARG 50 -12.361 2.755 1.055 350 HA ARG 50 HA ARG 50 -13.494 0.042 0.866 351 HB2 ARG 50 HB2 ARG 50 -11.284 1.337 -0.786 352 HB3 ARG 50 HB3 ARG 50 -12.047 -0.220 -1.092 353 HG2 ARG 50 HG2 ARG 50 -14.285 1.250 -1.086 354 HG3 ARG 50 HG3 ARG 50 -13.170 2.556 -1.438 355 HD2 ARG 50 HD2 ARG 50 -14.012 1.737 -3.514 356 HD3 ARG 50 HD3 ARG 50 -12.328 1.196 -3.417 357 HE ARG 50 HE ARG 50 -13.608 -0.983 -2.418 358 HH11 ARG 50 HH11 ARG 50 -14.174 0.762 -5.437 359 HH12 ARG 50 HH12 ARG 50 -14.818 -0.674 -6.189 360 HH21 ARG 50 HH21 ARG 50 -14.511 -2.641 -3.395 361 HH22 ARG 50 HH22 ARG 50 -15.002 -2.557 -5.085 362 H GLY 51 H GLY 51 -10.482 1.453 1.945 363 HA2 GLY 51 HA2 GLY 51 -9.240 0.598 3.659 364 HA3 GLY 51 HA3 GLY 51 -9.897 -0.977 3.550 365 H PHE 52 H PHE 52 -8.694 0.503 0.647 366 HA PHE 52 HA PHE 52 -6.268 -1.211 0.565 367 HB2 PHE 52 HB2 PHE 52 -8.408 -0.962 -1.563 368 HB3 PHE 52 HB3 PHE 52 -6.834 -1.667 -1.843 369 HD1 PHE 52 HD1 PHE 52 -6.239 -3.869 -1.000 370 HD2 PHE 52 HD2 PHE 52 -10.136 -2.177 -0.315 371 HE1 PHE 52 HE1 PHE 52 -7.091 -6.104 -0.334 372 HE2 PHE 52 HE2 PHE 52 -10.990 -4.398 0.356 373 HZ PHE 52 HZ PHE 52 -9.468 -6.371 0.365 374 H GLY 53 H GLY 53 -4.846 -0.634 -1.249 375 HA2 GLY 53 HA2 GLY 53 -4.933 2.049 -2.379 376 HA3 GLY 53 HA3 GLY 53 -3.750 1.841 -1.076 377 H PHE 54 H PHE 54 -2.947 2.547 -3.561 378 HA PHE 54 HA PHE 54 -1.291 0.187 -4.343 379 HB2 PHE 54 HB2 PHE 54 -2.295 2.428 -6.118 380 HB3 PHE 54 HB3 PHE 54 -0.929 1.403 -6.531 381 HD1 PHE 54 HD1 PHE 54 -4.612 1.396 -5.903 382 HD2 PHE 54 HD2 PHE 54 -1.218 -0.858 -7.315 383 HE1 PHE 54 HE1 PHE 54 -6.137 -0.358 -6.775 384 HE2 PHE 54 HE2 PHE 54 -2.751 -2.591 -8.218 385 HZ PHE 54 HZ PHE 54 -5.210 -2.352 -7.935 386 H VAL 55 H VAL 55 0.876 0.454 -4.058 387 HA VAL 55 HA VAL 55 1.873 3.165 -3.244 388 HB VAL 55 HB VAL 55 2.324 0.535 -1.779 389 HG11 VAL 55 HG11 VAL 55 3.725 1.870 -0.218 390 HG12 VAL 55 HG12 VAL 55 4.461 1.788 -1.815 391 HG13 VAL 55 HG13 VAL 55 3.620 3.269 -1.312 392 HG21 VAL 55 HG21 VAL 55 1.144 3.205 -0.891 393 HG22 VAL 55 HG22 VAL 55 0.214 1.729 -1.224 394 HG23 VAL 55 HG23 VAL 55 1.366 1.753 0.111 395 H SER 56 H SER 56 3.844 3.757 -3.890 396 HA SER 56 HA SER 56 5.430 1.926 -5.625 397 HB2 SER 56 HB2 SER 56 3.756 3.206 -6.973 398 HB3 SER 56 HB3 SER 56 4.469 4.711 -6.376 399 HG SER 56 HG SER 56 5.945 2.684 -7.758 400 H PHE 57 H PHE 57 7.565 2.531 -6.002 401 HA PHE 57 HA PHE 57 8.901 4.364 -4.098 402 HB2 PHE 57 HB2 PHE 57 10.177 1.962 -3.581 403 HB3 PHE 57 HB3 PHE 57 9.006 2.744 -2.549 404 HD1 PHE 57 HD2 PHE 57 9.013 0.487 -5.572 405 HD2 PHE 57 HD1 PHE 57 7.201 1.437 -1.777 406 HE1 PHE 57 HE2 PHE 57 7.329 -1.294 -5.925 407 HE2 PHE 57 HE1 PHE 57 5.568 -0.411 -2.102 408 HZ PHE 57 HZ PHE 57 5.622 -1.763 -4.180 409 H SER 58 H SER 58 11.122 4.621 -4.472 410 HA SER 58 HA SER 58 11.519 4.757 -7.295 411 HB2 SER 58 HB2 SER 58 13.421 5.616 -5.105 412 HB3 SER 58 HB3 SER 58 13.399 6.178 -6.786 413 HG SER 58 HG SER 58 11.481 6.611 -4.736 414 H ASN 59 H ASN 59 12.488 2.131 -5.371 415 HA ASN 59 HA ASN 59 14.571 1.355 -7.344 416 HB2 ASN 59 HB2 ASN 59 15.024 1.508 -4.333 417 HB3 ASN 59 HB3 ASN 59 16.088 0.666 -5.443 418 HD21 ASN 59 HD21 ASN 59 17.065 1.942 -7.229 419 HD22 ASN 59 HD22 ASN 59 17.422 3.640 -6.930 420 H GLU 60 H GLU 60 15.150 -0.857 -7.359 421 HA GLU 60 HA GLU 60 12.833 -2.601 -7.023 422 HB2 GLU 60 HB2 GLU 60 15.654 -3.076 -8.046 423 HB3 GLU 60 HB3 GLU 60 14.471 -4.374 -7.855 424 HG2 GLU 60 HG2 GLU 60 12.889 -3.040 -9.320 425 HG3 GLU 60 HG3 GLU 60 14.255 -1.977 -9.693 426 H GLN 61 H GLN 61 16.071 -2.500 -5.396 427 HA GLN 61 HA GLN 61 15.574 -4.772 -3.745 428 HB2 GLN 61 HB2 GLN 61 17.773 -3.783 -4.205 429 HB3 GLN 61 HB3 GLN 61 17.365 -2.353 -3.247 430 HG2 GLN 61 HG2 GLN 61 17.277 -3.649 -1.205 431 HG3 GLN 61 HG3 GLN 61 17.356 -5.174 -2.087 432 HE21 GLN 61 HE21 GLN 61 19.205 -3.883 0.045 433 HE22 GLN 61 HE22 GLN 61 20.786 -4.073 -0.710 434 H ALA 62 H ALA 62 14.684 -1.357 -3.313 435 HA ALA 62 HA ALA 62 13.616 -1.578 -0.659 436 HB1 ALA 62 HB1 ALA 62 12.849 0.313 -2.935 437 HB2 ALA 62 HB2 ALA 62 12.485 0.530 -1.213 438 HB3 ALA 62 HB3 ALA 62 14.168 0.567 -1.775 439 H MET 63 H MET 63 12.027 -1.858 -3.890 440 HA MET 63 HA MET 63 9.417 -2.524 -2.986 441 HB2 MET 63 HB2 MET 63 9.988 -1.919 -5.307 442 HB3 MET 63 HB3 MET 63 10.929 -3.390 -5.495 443 HG2 MET 63 HG2 MET 63 8.927 -4.773 -5.250 444 HG3 MET 63 HG3 MET 63 7.946 -3.337 -4.951 445 HE1 MET 63 HE1 MET 63 6.681 -4.557 -8.454 446 HE2 MET 63 HE2 MET 63 7.193 -5.559 -7.081 447 HE3 MET 63 HE3 MET 63 6.211 -4.102 -6.802 448 H GLN 64 H GLN 64 12.219 -4.661 -3.652 449 HA GLN 64 HA GLN 64 10.645 -7.061 -3.277 450 HB2 GLN 64 HB2 GLN 64 13.611 -6.562 -3.693 451 HB3 GLN 64 HB3 GLN 64 12.877 -8.178 -3.558 452 HG2 GLN 64 HG2 GLN 64 11.577 -7.892 -5.531 453 HG3 GLN 64 HG3 GLN 64 11.815 -6.152 -5.566 454 HE21 GLN 64 HE21 GLN 64 12.380 -6.447 -7.811 455 HE22 GLN 64 HE22 GLN 64 13.969 -7.063 -8.255 456 H ASP 65 H ASP 65 13.020 -5.360 -1.172 457 HA ASP 65 HA ASP 65 12.877 -7.395 0.902 458 HB2 ASP 65 HB2 ASP 65 14.784 -5.801 0.567 459 HB3 ASP 65 HB3 ASP 65 13.737 -4.484 1.099 460 H ALA 66 H ALA 66 10.988 -4.454 0.121 461 HA ALA 66 HA ALA 66 9.424 -4.485 2.549 462 HB1 ALA 66 HB1 ALA 66 9.542 -2.503 1.114 463 HB2 ALA 66 HB2 ALA 66 8.748 -3.380 -0.211 464 HB3 ALA 66 HB3 ALA 66 7.868 -3.050 1.300 465 H ILE 67 H ILE 67 8.519 -5.666 -0.753 466 HA ILE 67 HA ILE 67 6.281 -7.189 -0.011 467 HB ILE 67 HB ILE 67 8.313 -7.608 -2.221 468 HG12 ILE 67 HG12 ILE 67 6.969 -5.520 -2.366 469 HG13 ILE 67 HG13 ILE 67 6.675 -6.626 -3.692 470 HG21 ILE 67 HG21 ILE 67 7.337 -9.780 -1.967 471 HG22 ILE 67 HG22 ILE 67 5.701 -9.112 -1.793 472 HG23 ILE 67 HG23 ILE 67 6.553 -9.013 -3.348 473 HD11 ILE 67 HD11 ILE 67 4.616 -5.564 -2.959 474 HD12 ILE 67 HD12 ILE 67 4.510 -7.295 -2.626 475 HD13 ILE 67 HD13 ILE 67 4.840 -6.139 -1.306 476 H GLU 68 H GLU 68 9.731 -8.342 0.109 477 HA GLU 68 HA GLU 68 9.082 -10.921 1.126 478 HB2 GLU 68 HB2 GLU 68 11.240 -10.329 0.187 479 HB3 GLU 68 HB3 GLU 68 11.581 -9.248 1.549 480 HG2 GLU 68 HG2 GLU 68 11.734 -11.087 3.074 481 HG3 GLU 68 HG3 GLU 68 10.988 -12.201 1.930 482 H GLY 69 H GLY 69 9.007 -7.853 2.854 483 HA2 GLY 69 HA2 GLY 69 8.716 -9.233 5.492 484 HA3 GLY 69 HA3 GLY 69 9.001 -7.520 5.217 485 H MET 70 H MET 70 6.698 -7.807 3.053 486 HA MET 70 HA MET 70 4.698 -6.781 4.932 487 HB2 MET 70 HB2 MET 70 5.113 -6.735 1.957 488 HB3 MET 70 HB3 MET 70 3.558 -6.221 2.638 489 HG2 MET 70 HG2 MET 70 6.257 -5.094 3.523 490 HG3 MET 70 HG3 MET 70 5.381 -4.437 2.157 491 HE1 MET 70 HE1 MET 70 6.431 -2.953 4.943 492 HE2 MET 70 HE2 MET 70 5.768 -2.118 3.520 493 HE3 MET 70 HE3 MET 70 5.097 -1.794 5.133 494 H ASN 71 H ASN 71 4.753 -9.601 2.682 495 HA ASN 71 HA ASN 71 1.919 -9.884 2.660 496 HB2 ASN 71 HB2 ASN 71 3.520 -10.947 1.012 497 HB3 ASN 71 HB3 ASN 71 3.919 -12.141 2.252 498 HD21 ASN 71 HD21 ASN 71 3.009 -13.944 1.081 499 HD22 ASN 71 HD22 ASN 71 1.314 -13.978 0.617 500 H GLY 72 H GLY 72 0.669 -10.100 4.390 501 HA2 GLY 72 HA2 GLY 72 -0.293 -11.214 6.186 502 HA3 GLY 72 HA3 GLY 72 0.998 -12.408 6.178 503 H LYS 73 H LYS 73 1.976 -9.004 6.369 504 HA LYS 73 HA LYS 73 2.914 -9.268 9.119 505 HB2 LYS 73 HB2 LYS 73 3.560 -7.614 7.044 506 HB3 LYS 73 HB3 LYS 73 2.480 -6.536 7.934 507 HG2 LYS 73 HG2 LYS 73 3.912 -6.934 9.988 508 HG3 LYS 73 HG3 LYS 73 5.005 -7.885 8.967 509 HD2 LYS 73 HD2 LYS 73 5.197 -5.849 7.449 510 HD3 LYS 73 HD3 LYS 73 4.290 -4.932 8.654 511 HE2 LYS 73 HE2 LYS 73 6.994 -6.295 9.047 512 HE3 LYS 73 HE3 LYS 73 6.721 -4.564 8.823 513 HZ1 LYS 73 HZ1 LYS 73 6.986 -4.974 11.123 514 HZ2 LYS 73 HZ2 LYS 73 5.921 -6.202 11.155 515 HZ3 LYS 73 HZ3 LYS 73 5.388 -4.652 10.945 516 H GLU 74 H GLU 74 2.203 -7.192 10.546 517 HA GLU 74 HA GLU 74 -0.725 -6.679 10.329 518 HB2 GLU 74 HB2 GLU 74 -0.915 -6.259 12.657 519 HB3 GLU 74 HB3 GLU 74 -0.242 -7.876 12.413 520 HG2 GLU 74 HG2 GLU 74 2.080 -6.779 12.787 521 HG3 GLU 74 HG3 GLU 74 1.190 -5.374 13.385 522 H LEU 75 H LEU 75 -1.316 -4.547 10.155 523 HA LEU 75 HA LEU 75 0.757 -2.459 10.483 524 HB2 LEU 75 HB2 LEU 75 0.377 -3.509 7.970 525 HB3 LEU 75 HB3 LEU 75 -0.871 -2.275 7.977 526 HG LEU 75 HG LEU 75 1.157 -0.781 8.981 527 HD11 LEU 75 HD11 LEU 75 2.628 -2.710 7.130 528 HD12 LEU 75 HD12 LEU 75 2.683 -2.858 8.889 529 HD13 LEU 75 HD13 LEU 75 3.306 -1.399 8.125 530 HD21 LEU 75 HD21 LEU 75 1.612 0.067 6.769 531 HD22 LEU 75 HD22 LEU 75 -0.113 -0.297 6.908 532 HD23 LEU 75 HD23 LEU 75 0.962 -1.398 6.012 533 H ASP 76 H ASP 76 -0.052 -0.542 11.216 534 HA ASP 76 HA ASP 76 -1.414 0.627 12.513 535 HB2 ASP 76 HB2 ASP 76 -2.019 1.375 10.185 536 HB3 ASP 76 HB3 ASP 76 -3.486 0.410 10.293 537 H GLY 77 H GLY 77 -1.449 -2.185 13.012 538 HA2 GLY 77 HA2 GLY 77 -2.362 -3.526 14.656 539 HA3 GLY 77 HA3 GLY 77 -3.690 -2.389 14.870 540 H ARG 78 H ARG 78 -3.231 -3.493 11.608 541 HA ARG 78 HA ARG 78 -5.639 -5.282 11.763 542 HB2 ARG 78 HB2 ARG 78 -4.851 -3.208 9.677 543 HB3 ARG 78 HB3 ARG 78 -6.280 -4.221 9.585 544 HG2 ARG 78 HG2 ARG 78 -5.777 -2.170 11.795 545 HG3 ARG 78 HG3 ARG 78 -6.618 -1.802 10.306 546 HD2 ARG 78 HD2 ARG 78 -7.559 -4.054 12.123 547 HD3 ARG 78 HD3 ARG 78 -8.010 -2.362 12.383 548 HE ARG 78 HE ARG 78 -8.489 -3.358 9.646 549 HH11 ARG 78 HH11 ARG 78 -10.044 -2.970 12.796 550 HH12 ARG 78 HH12 ARG 78 -11.596 -2.675 12.014 551 HH21 ARG 78 HH21 ARG 78 -10.477 -3.156 8.853 552 HH22 ARG 78 HH22 ARG 78 -11.850 -2.854 9.949 553 H SER 79 H SER 79 -5.858 -6.715 9.802 554 HA SER 79 HA SER 79 -3.276 -8.021 9.267 555 HB2 SER 79 HB2 SER 79 -4.642 -9.755 8.159 556 HB3 SER 79 HB3 SER 79 -5.096 -9.464 9.847 557 HG SER 79 HG SER 79 -6.849 -9.619 8.205 558 H ILE 80 H ILE 80 -2.031 -7.619 7.578 559 HA ILE 80 HA ILE 80 -3.163 -6.133 5.289 560 HB ILE 80 HB ILE 80 -1.492 -4.954 6.539 561 HG12 ILE 80 HG12 ILE 80 -0.258 -5.648 3.851 562 HG13 ILE 80 HG13 ILE 80 -1.758 -4.726 3.989 563 HG21 ILE 80 HG21 ILE 80 0.895 -5.636 6.498 564 HG22 ILE 80 HG22 ILE 80 -0.134 -6.728 7.405 565 HG23 ILE 80 HG23 ILE 80 0.427 -7.189 5.780 566 HD11 ILE 80 HD11 ILE 80 -0.616 -3.007 5.331 567 HD12 ILE 80 HD12 ILE 80 0.925 -3.886 5.160 568 HD13 ILE 80 HD13 ILE 80 0.128 -3.215 3.737 569 H VAL 81 H VAL 81 -2.756 -6.560 3.209 570 HA VAL 81 HA VAL 81 -1.341 -9.065 2.404 571 HB VAL 81 HB VAL 81 -3.982 -7.980 1.344 572 HG11 VAL 81 HG11 VAL 81 -3.923 -9.882 -0.263 573 HG12 VAL 81 HG12 VAL 81 -2.698 -8.676 -0.608 574 HG13 VAL 81 HG13 VAL 81 -2.236 -10.199 0.191 575 HG21 VAL 81 HG21 VAL 81 -4.209 -9.403 3.337 576 HG22 VAL 81 HG22 VAL 81 -4.783 -10.275 1.914 577 HG23 VAL 81 HG23 VAL 81 -3.185 -10.642 2.604 578 H VAL 82 H VAL 82 -0.100 -8.889 0.547 579 HA VAL 82 HA VAL 82 -0.020 -6.329 -0.915 580 HB VAL 82 HB VAL 82 2.388 -6.324 -1.081 581 HG11 VAL 82 HG11 VAL 82 1.393 -5.984 1.766 582 HG12 VAL 82 HG12 VAL 82 2.716 -5.104 0.941 583 HG13 VAL 82 HG13 VAL 82 1.045 -4.853 0.438 584 HG21 VAL 82 HG21 VAL 82 3.800 -7.463 0.450 585 HG22 VAL 82 HG22 VAL 82 2.409 -8.159 1.320 586 HG23 VAL 82 HG23 VAL 82 2.833 -8.691 -0.318 587 H ASN 83 H ASN 83 0.423 -6.594 -3.157 588 HA ASN 83 HA ASN 83 2.333 -8.569 -3.876 589 HB2 ASN 83 HB2 ASN 83 1.263 -9.809 -5.597 590 HB3 ASN 83 HB3 ASN 83 0.382 -10.067 -4.106 591 HD21 ASN 83 HD21 ASN 83 -0.891 -10.931 -6.133 592 HD22 ASN 83 HD22 ASN 83 -2.124 -9.798 -6.729 593 H GLU 84 H GLU 84 3.177 -8.288 -6.091 594 HA GLU 84 HA GLU 84 3.392 -5.569 -6.851 595 HB2 GLU 84 HB2 GLU 84 4.547 -6.333 -8.864 596 HB3 GLU 84 HB3 GLU 84 5.108 -7.086 -7.392 597 HG2 GLU 84 HG2 GLU 84 5.118 -8.855 -8.808 598 HG3 GLU 84 HG3 GLU 84 3.569 -9.098 -8.017 599 H ALA 85 H ALA 85 2.760 -4.413 -8.660 600 HA ALA 85 HA ALA 85 0.189 -5.206 -9.946 601 HB1 ALA 85 HB1 ALA 85 -0.245 -3.607 -8.205 602 HB2 ALA 85 HB2 ALA 85 1.032 -2.531 -8.795 603 HB3 ALA 85 HB3 ALA 85 -0.429 -2.798 -9.769 604 H GLN 86 H GLN 86 2.825 -5.724 -10.990 605 HA GLN 86 HA GLN 86 3.096 -3.853 -13.297 606 HB2 GLN 86 HB2 GLN 86 5.092 -4.122 -12.005 607 HB3 GLN 86 HB3 GLN 86 5.011 -5.876 -12.076 608 HG2 GLN 86 HG2 GLN 86 5.115 -4.298 -14.669 609 HG3 GLN 86 HG3 GLN 86 6.576 -4.425 -13.705 610 HE21 GLN 86 HE21 GLN 86 6.776 -5.372 -16.174 611 HE22 GLN 86 HE22 GLN 86 6.778 -7.137 -16.164 612 H SER 87 H SER 87 2.744 -7.383 -12.561 613 HA SER 87 HA SER 87 2.739 -8.234 -15.294 614 HB2 SER 87 HB2 SER 87 1.369 -9.556 -12.914 615 HB3 SER 87 HB3 SER 87 1.734 -10.311 -14.472 616 HG SER 87 HG SER 87 3.367 -9.758 -12.310 617 H ARG 88 H ARG 88 0.026 -7.385 -13.150 618 HA ARG 88 HA ARG 88 -2.036 -7.614 -15.240 619 HB2 ARG 88 HB2 ARG 88 -2.481 -8.199 -12.898 620 HB3 ARG 88 HB3 ARG 88 -2.082 -6.553 -12.383 621 HG2 ARG 88 HG2 ARG 88 -3.996 -5.654 -13.614 622 HG3 ARG 88 HG3 ARG 88 -4.370 -7.257 -14.278 623 HD2 ARG 88 HD2 ARG 88 -4.849 -8.108 -12.024 624 HD3 ARG 88 HD3 ARG 88 -4.352 -6.571 -11.310 625 HE ARG 88 HE ARG 88 -6.699 -6.856 -13.180 626 HH11 ARG 88 HH11 ARG 88 -5.442 -5.279 -10.242 627 HH12 ARG 88 HH12 ARG 88 -6.993 -4.476 -10.033 628 HH21 ARG 88 HH21 ARG 88 -8.380 -5.686 -12.906 629 HH22 ARG 88 HH22 ARG 88 -8.493 -4.477 -11.628 630 H GLY 89 H GLY 89 -0.293 -4.972 -13.629 631 HA2 GLY 89 HA2 GLY 89 0.156 -2.826 -14.363 632 HA3 GLY 89 HA3 GLY 89 -0.586 -3.220 -15.908 633 H TYR 90 H TYR 90 -1.049 -0.849 -15.401 634 HA TYR 90 HA TYR 90 -3.410 -0.299 -13.735 635 HB2 TYR 90 HB2 TYR 90 -1.457 1.210 -13.785 636 HB3 TYR 90 HB3 TYR 90 -1.690 1.480 -15.506 637 HD1 TYR 90 HD2 TYR 90 -3.093 2.071 -12.121 638 HD2 TYR 90 HD1 TYR 90 -3.426 3.011 -16.316 639 HE1 TYR 90 HE2 TYR 90 -4.673 3.903 -11.588 640 HE2 TYR 90 HE1 TYR 90 -5.045 4.816 -15.787 641 HH TYR 90 HH TYR 90 -5.867 5.681 -12.429 642 H GLY 91 H GLY 91 -5.371 0.566 -14.495 643 HA2 GLY 91 HA2 GLY 91 -6.004 0.769 -17.347 644 HA3 GLY 91 HA3 GLY 91 -6.723 -0.630 -16.552 645 H GLY 92 H GLY 92 -8.827 -0.018 -16.655 646 HA2 GLY 92 HA2 GLY 92 -9.746 2.668 -15.804 647 HA3 GLY 92 HA3 GLY 92 -10.696 1.414 -16.579 Start of MODEL 16 1 H1 MET 1 H1 MET 1 17.119 -3.961 -21.639 2 H2 MET 1 H2 MET 1 16.737 -2.472 -21.069 3 H3 MET 1 H3 MET 1 16.361 -2.867 -22.620 4 HA MET 1 HA MET 1 14.811 -4.492 -21.964 5 HB2 MET 1 HB2 MET 1 14.355 -5.135 -19.813 6 HB3 MET 1 HB3 MET 1 16.100 -4.958 -19.747 7 HG2 MET 1 HG2 MET 1 13.995 -3.016 -18.736 8 HG3 MET 1 HG3 MET 1 14.978 -4.078 -17.745 9 HE1 MET 1 HE1 MET 1 14.403 -0.807 -17.601 10 HE2 MET 1 HE2 MET 1 15.182 -1.760 -16.319 11 HE3 MET 1 HE3 MET 1 15.976 -0.300 -16.953 12 H ALA 2 H ALA 2 12.539 -3.971 -21.284 13 HA ALA 2 HA ALA 2 12.042 -1.016 -21.204 14 HB1 ALA 2 HB1 ALA 2 10.141 -1.425 -22.709 15 HB2 ALA 2 HB2 ALA 2 11.683 -1.887 -23.450 16 HB3 ALA 2 HB3 ALA 2 10.588 -3.140 -22.825 17 H GLU 3 H GLU 3 11.769 -0.960 -19.015 18 HA GLU 3 HA GLU 3 9.488 -2.394 -17.730 19 HB2 GLU 3 HB2 GLU 3 11.542 -0.457 -16.595 20 HB3 GLU 3 HB3 GLU 3 10.301 -1.301 -15.670 21 HG2 GLU 3 HG2 GLU 3 12.548 -2.683 -17.198 22 HG3 GLU 3 HG3 GLU 3 12.623 -2.230 -15.508 23 H SER 4 H SER 4 7.772 -1.466 -18.861 24 HA SER 4 HA SER 4 7.572 1.310 -19.511 25 HB2 SER 4 HB2 SER 4 5.477 0.660 -20.471 26 HB3 SER 4 HB3 SER 4 6.656 -0.609 -20.793 27 HG SER 4 HG SER 4 4.505 -1.221 -20.022 28 H ASP 5 H ASP 5 5.204 2.386 -19.089 29 HA ASP 5 HA ASP 5 4.955 2.881 -16.219 30 HB2 ASP 5 HB2 ASP 5 4.449 4.584 -17.985 31 HB3 ASP 5 HB3 ASP 5 3.046 3.627 -18.462 32 H GLY 6 H GLY 6 3.613 0.517 -18.442 33 HA2 GLY 6 HA2 GLY 6 1.588 -0.535 -16.631 34 HA3 GLY 6 HA3 GLY 6 2.343 -1.356 -18.006 35 H ALA 7 H ALA 7 4.939 -1.609 -17.489 36 HA ALA 7 HA ALA 7 4.995 -3.437 -15.181 37 HB1 ALA 7 HB1 ALA 7 5.718 -4.206 -17.394 38 HB2 ALA 7 HB2 ALA 7 6.985 -2.959 -17.424 39 HB3 ALA 7 HB3 ALA 7 7.051 -4.266 -16.225 40 H GLU 8 H GLU 8 4.753 -1.073 -14.136 41 HA GLU 8 HA GLU 8 7.312 0.214 -13.523 42 HB2 GLU 8 HB2 GLU 8 5.948 1.954 -12.546 43 HB3 GLU 8 HB3 GLU 8 5.301 1.517 -14.132 44 HG2 GLU 8 HG2 GLU 8 3.581 0.073 -12.986 45 HG3 GLU 8 HG3 GLU 8 4.219 0.605 -11.431 46 H TYR 9 H TYR 9 8.002 0.773 -11.334 47 HA TYR 9 HA TYR 9 7.641 -1.371 -9.398 48 HB2 TYR 9 HB2 TYR 9 9.014 1.297 -9.091 49 HB3 TYR 9 HB3 TYR 9 9.254 -0.124 -8.093 50 HD1 TYR 9 HD2 TYR 9 9.398 -2.081 -10.675 51 HD2 TYR 9 HD1 TYR 9 11.341 1.580 -9.469 52 HE1 TYR 9 HE2 TYR 9 11.310 -2.601 -12.166 53 HE2 TYR 9 HE1 TYR 9 13.249 1.052 -10.963 54 HH TYR 9 HH TYR 9 14.071 -0.334 -12.534 55 H ARG 10 H ARG 10 5.328 -1.257 -9.240 56 HA ARG 10 HA ARG 10 4.415 0.355 -6.915 57 HB2 ARG 10 HB2 ARG 10 3.710 1.605 -8.904 58 HB3 ARG 10 HB3 ARG 10 2.954 0.156 -9.580 59 HG2 ARG 10 HG2 ARG 10 1.269 0.133 -7.839 60 HG3 ARG 10 HG3 ARG 10 2.036 1.490 -6.995 61 HD2 ARG 10 HD2 ARG 10 1.077 1.707 -9.868 62 HD3 ARG 10 HD3 ARG 10 -0.017 1.959 -8.511 63 HE ARG 10 HE ARG 10 1.797 3.688 -7.753 64 HH11 ARG 10 HH11 ARG 10 1.293 3.231 -11.193 65 HH12 ARG 10 HH12 ARG 10 1.319 4.935 -11.480 66 HH21 ARG 10 HH21 ARG 10 1.896 5.888 -8.276 67 HH22 ARG 10 HH22 ARG 10 1.628 6.329 -9.954 68 H CYS 11 H CYS 11 2.898 -0.672 -5.591 69 HA CYS 11 HA CYS 11 1.856 -3.324 -6.408 70 HB2 CYS 11 HB2 CYS 11 2.818 -4.547 -4.709 71 HB3 CYS 11 HB3 CYS 11 4.122 -3.447 -5.130 72 HG CYS 11 HG CYS 11 1.940 -3.324 -2.616 73 H PHE 12 H PHE 12 0.229 -4.217 -4.990 74 HA PHE 12 HA PHE 12 -1.746 -2.258 -3.989 75 HB2 PHE 12 HB2 PHE 12 -2.495 -4.080 -5.400 76 HB3 PHE 12 HB3 PHE 12 -1.641 -5.258 -4.430 77 HD1 PHE 12 HD2 PHE 12 -4.654 -3.105 -4.592 78 HD2 PHE 12 HD1 PHE 12 -2.551 -6.150 -2.372 79 HE1 PHE 12 HE2 PHE 12 -6.734 -3.651 -3.354 80 HE2 PHE 12 HE1 PHE 12 -4.627 -6.665 -1.113 81 HZ PHE 12 HZ PHE 12 -6.721 -5.420 -1.603 82 H VAL 13 H VAL 13 -2.493 -2.219 -1.866 83 HA VAL 13 HA VAL 13 -1.303 -4.009 0.164 84 HB VAL 13 HB VAL 13 -1.296 -2.006 1.781 85 HG11 VAL 13 HG11 VAL 13 0.898 -2.314 -0.294 86 HG12 VAL 13 HG12 VAL 13 1.070 -1.534 1.290 87 HG13 VAL 13 HG13 VAL 13 0.687 -3.255 1.202 88 HG21 VAL 13 HG21 VAL 13 -2.219 -0.265 0.257 89 HG22 VAL 13 HG22 VAL 13 -0.622 0.155 0.889 90 HG23 VAL 13 HG23 VAL 13 -0.783 -0.429 -0.777 91 H GLY 14 H GLY 14 -2.928 -5.078 0.984 92 HA2 GLY 14 HA2 GLY 14 -5.627 -3.849 1.329 93 HA3 GLY 14 HA3 GLY 14 -5.200 -5.546 1.524 94 H SER 15 H SER 15 -6.227 -3.017 3.249 95 HA SER 15 HA SER 15 -5.930 -4.093 5.802 96 HB2 SER 15 HB2 SER 15 -3.617 -2.296 5.083 97 HB3 SER 15 HB3 SER 15 -4.329 -2.064 6.688 98 HG SER 15 HG SER 15 -3.609 -4.590 5.652 99 H LEU 16 H LEU 16 -6.434 -1.200 3.854 100 HA LEU 16 HA LEU 16 -6.498 0.559 6.062 101 HB2 LEU 16 HB2 LEU 16 -7.644 1.175 3.326 102 HB3 LEU 16 HB3 LEU 16 -7.094 2.313 4.527 103 HG LEU 16 HG LEU 16 -5.469 0.485 2.740 104 HD11 LEU 16 HD11 LEU 16 -6.254 2.742 1.992 105 HD12 LEU 16 HD12 LEU 16 -4.475 2.622 2.081 106 HD13 LEU 16 HD13 LEU 16 -5.368 3.469 3.349 107 HD21 LEU 16 HD21 LEU 16 -4.322 2.138 5.023 108 HD22 LEU 16 HD22 LEU 16 -3.421 1.238 3.795 109 HD23 LEU 16 HD23 LEU 16 -4.372 0.358 4.992 110 H SER 17 H SER 17 -8.225 2.214 6.379 111 HA SER 17 HA SER 17 -10.896 1.029 6.836 112 HB2 SER 17 HB2 SER 17 -10.672 1.216 9.273 113 HB3 SER 17 HB3 SER 17 -9.425 0.125 8.652 114 HG SER 17 HG SER 17 -7.899 1.629 9.036 115 H TRP 18 H TRP 18 -12.229 2.636 8.223 116 HA TRP 18 HA TRP 18 -12.183 5.354 7.447 117 HB2 TRP 18 HB2 TRP 18 -13.461 5.724 9.559 118 HB3 TRP 18 HB3 TRP 18 -14.062 4.447 8.530 119 HD1 TRP 18 HD1 TRP 18 -11.756 4.635 11.665 120 HE1 TRP 18 HE1 TRP 18 -12.316 2.657 13.211 121 HE3 TRP 18 HE3 TRP 18 -15.498 2.461 8.914 122 HZ2 TRP 18 HZ2 TRP 18 -14.145 0.452 13.264 123 HZ3 TRP 18 HZ3 TRP 18 -16.684 0.466 9.785 124 HH2 TRP 18 HH2 TRP 18 -16.008 -0.563 11.944 125 H ASN 19 H ASN 19 -9.864 3.818 9.588 126 HA ASN 19 HA ASN 19 -8.892 6.433 10.657 127 HB2 ASN 19 HB2 ASN 19 -9.447 4.638 12.254 128 HB3 ASN 19 HB3 ASN 19 -8.343 3.535 11.438 129 HD21 ASN 19 HD21 ASN 19 -5.977 3.812 11.796 130 HD22 ASN 19 HD22 ASN 19 -5.470 4.904 13.060 131 H THR 20 H THR 20 -7.819 3.679 8.654 132 HA THR 20 HA THR 20 -5.034 4.648 8.606 133 HB THR 20 HB THR 20 -5.825 2.448 6.772 134 HG1 THR 20 HG1 THR 20 -5.629 2.009 9.570 135 HG21 THR 20 HG21 THR 20 -3.755 1.421 7.690 136 HG22 THR 20 HG22 THR 20 -3.563 2.811 8.781 137 HG23 THR 20 HG23 THR 20 -3.459 3.042 7.036 138 H ASP 21 H ASP 21 -3.874 5.289 6.752 139 HA ASP 21 HA ASP 21 -5.419 5.933 4.337 140 HB2 ASP 21 HB2 ASP 21 -5.319 8.208 4.570 141 HB3 ASP 21 HB3 ASP 21 -5.659 7.739 6.217 142 H ASP 22 H ASP 22 -3.769 7.608 2.971 143 HA ASP 22 HA ASP 22 -1.711 5.835 2.080 144 HB2 ASP 22 HB2 ASP 22 -1.115 7.493 0.513 145 HB3 ASP 22 HB3 ASP 22 -2.850 7.534 0.623 146 H ARG 23 H ARG 23 -1.599 8.521 4.417 147 HA ARG 23 HA ARG 23 1.220 8.955 4.406 148 HB2 ARG 23 HB2 ARG 23 -0.317 10.561 5.336 149 HB3 ARG 23 HB3 ARG 23 -0.931 9.399 6.504 150 HG2 ARG 23 HG2 ARG 23 1.257 9.388 7.670 151 HG3 ARG 23 HG3 ARG 23 1.854 10.604 6.514 152 HD2 ARG 23 HD2 ARG 23 0.145 12.175 7.224 153 HD3 ARG 23 HD3 ARG 23 -0.628 10.947 8.249 154 HE ARG 23 HE ARG 23 1.877 11.020 9.297 155 HH11 ARG 23 HH11 ARG 23 -0.581 13.468 8.828 156 HH12 ARG 23 HH12 ARG 23 0.065 14.502 10.066 157 HH21 ARG 23 HH21 ARG 23 2.561 12.361 10.981 158 HH22 ARG 23 HH22 ARG 23 1.858 13.969 11.119 159 H GLY 24 H GLY 24 -0.726 6.775 6.500 160 HA2 GLY 24 HA2 GLY 24 1.475 6.006 8.173 161 HA3 GLY 24 HA3 GLY 24 -0.063 5.151 8.014 162 H LEU 25 H LEU 25 0.010 4.407 5.314 163 HA LEU 25 HA LEU 25 1.872 2.189 5.277 164 HB2 LEU 25 HB2 LEU 25 -0.194 3.354 3.410 165 HB3 LEU 25 HB3 LEU 25 1.007 2.280 2.724 166 HG LEU 25 HG LEU 25 -1.092 1.147 3.317 167 HD11 LEU 25 HD11 LEU 25 1.233 0.085 4.967 168 HD12 LEU 25 HD12 LEU 25 1.084 -0.075 3.207 169 HD13 LEU 25 HD13 LEU 25 -0.116 -0.827 4.265 170 HD21 LEU 25 HD21 LEU 25 -1.639 2.383 5.406 171 HD22 LEU 25 HD22 LEU 25 -0.301 1.556 6.233 172 HD23 LEU 25 HD23 LEU 25 -1.673 0.620 5.620 173 H GLU 26 H GLU 26 1.880 5.338 3.537 174 HA GLU 26 HA GLU 26 4.272 4.993 2.050 175 HB2 GLU 26 HB2 GLU 26 2.656 6.780 1.739 176 HB3 GLU 26 HB3 GLU 26 2.963 7.394 3.364 177 HG2 GLU 26 HG2 GLU 26 5.251 8.064 2.646 178 HG3 GLU 26 HG3 GLU 26 4.871 7.492 1.007 179 H ALA 27 H ALA 27 3.854 6.107 5.457 180 HA ALA 27 HA ALA 27 6.651 6.538 5.930 181 HB1 ALA 27 HB1 ALA 27 4.822 7.581 7.240 182 HB2 ALA 27 HB2 ALA 27 4.360 5.986 7.875 183 HB3 ALA 27 HB3 ALA 27 5.938 6.688 8.283 184 H ALA 28 H ALA 28 4.581 3.647 6.509 185 HA ALA 28 HA ALA 28 6.689 2.098 7.735 186 HB1 ALA 28 HB1 ALA 28 4.111 1.250 6.338 187 HB2 ALA 28 HB2 ALA 28 5.127 0.211 7.362 188 HB3 ALA 28 HB3 ALA 28 4.306 1.612 8.069 189 H PHE 29 H PHE 29 5.609 2.455 4.324 190 HA PHE 29 HA PHE 29 7.422 0.436 3.339 191 HB2 PHE 29 HB2 PHE 29 5.252 1.481 2.314 192 HB3 PHE 29 HB3 PHE 29 6.331 2.683 1.653 193 HD1 PHE 29 HD2 PHE 29 8.533 1.504 0.394 194 HD2 PHE 29 HD1 PHE 29 4.689 -0.350 1.057 195 HE1 PHE 29 HE2 PHE 29 9.000 -0.131 -1.403 196 HE2 PHE 29 HE1 PHE 29 5.158 -1.962 -0.760 197 HZ PHE 29 HZ PHE 29 7.319 -1.860 -1.988 198 H SER 30 H SER 30 7.734 3.946 3.879 199 HA SER 30 HA SER 30 10.234 4.399 2.625 200 HB2 SER 30 HB2 SER 30 9.178 5.639 5.198 201 HB3 SER 30 HB3 SER 30 10.502 6.262 4.203 202 HG SER 30 HG SER 30 7.768 5.970 3.428 203 H SER 31 H SER 31 9.612 2.549 5.579 204 HA SER 31 HA SER 31 12.251 2.605 6.678 205 HB2 SER 31 HB2 SER 31 10.230 0.353 6.750 206 HB3 SER 31 HB3 SER 31 11.578 0.599 7.872 207 HG SER 31 HG SER 31 9.662 1.334 8.772 208 H PHE 32 H PHE 32 10.980 0.834 3.872 209 HA PHE 32 HA PHE 32 13.217 -1.110 3.913 210 HB2 PHE 32 HB2 PHE 32 10.883 -0.710 2.008 211 HB3 PHE 32 HB3 PHE 32 12.115 -1.946 1.827 212 HD1 PHE 32 HD2 PHE 32 12.422 -3.710 3.645 213 HD2 PHE 32 HD1 PHE 32 8.998 -1.103 3.452 214 HE1 PHE 32 HE2 PHE 32 11.137 -5.299 5.044 215 HE2 PHE 32 HE1 PHE 32 7.713 -2.697 4.871 216 HZ PHE 32 HZ PHE 32 8.774 -4.801 5.654 217 H GLY 33 H GLY 33 12.265 1.791 2.060 218 HA2 GLY 33 HA2 GLY 33 14.883 2.400 1.163 219 HA3 GLY 33 HA3 GLY 33 14.095 1.465 -0.102 220 H GLU 34 H GLU 34 14.351 3.416 -1.412 221 HA GLU 34 HA GLU 34 13.134 5.878 -0.563 222 HB2 GLU 34 HB2 GLU 34 15.188 5.748 -1.863 223 HB3 GLU 34 HB3 GLU 34 14.291 5.166 -3.273 224 HG2 GLU 34 HG2 GLU 34 13.351 7.248 -3.692 225 HG3 GLU 34 HG3 GLU 34 13.279 7.678 -1.984 226 H ILE 35 H ILE 35 11.267 6.811 -0.951 227 HA ILE 35 HA ILE 35 9.172 5.129 -2.174 228 HB ILE 35 HB ILE 35 9.301 5.604 0.331 229 HG12 ILE 35 HG12 ILE 35 6.869 6.010 0.637 230 HG13 ILE 35 HG13 ILE 35 6.701 6.314 -1.091 231 HG21 ILE 35 HG21 ILE 35 9.879 8.017 0.166 232 HG22 ILE 35 HG22 ILE 35 8.257 8.352 -0.475 233 HG23 ILE 35 HG23 ILE 35 8.451 7.724 1.161 234 HD11 ILE 35 HD11 ILE 35 7.730 3.741 0.184 235 HD12 ILE 35 HD12 ILE 35 6.084 3.993 -0.441 236 HD13 ILE 35 HD13 ILE 35 7.464 3.977 -1.550 237 H LEU 36 H LEU 36 7.427 5.984 -3.339 238 HA LEU 36 HA LEU 36 7.905 8.680 -4.536 239 HB2 LEU 36 HB2 LEU 36 8.403 6.570 -5.855 240 HB3 LEU 36 HB3 LEU 36 6.671 6.307 -5.952 241 HG LEU 36 HG LEU 36 8.092 8.832 -6.910 242 HD11 LEU 36 HD11 LEU 36 7.897 7.864 -9.171 243 HD12 LEU 36 HD12 LEU 36 7.220 6.371 -8.478 244 HD13 LEU 36 HD13 LEU 36 8.897 6.849 -8.129 245 HD21 LEU 36 HD21 LEU 36 5.714 9.254 -6.614 246 HD22 LEU 36 HD22 LEU 36 5.293 7.725 -7.440 247 HD23 LEU 36 HD23 LEU 36 6.037 9.068 -8.337 248 H ASP 37 H ASP 37 5.073 6.397 -4.028 249 HA ASP 37 HA ASP 37 3.497 8.617 -2.982 250 HB2 ASP 37 HB2 ASP 37 2.139 9.150 -4.685 251 HB3 ASP 37 HB3 ASP 37 3.519 8.708 -5.669 252 H ALA 38 H ALA 38 1.280 8.002 -2.280 253 HA ALA 38 HA ALA 38 0.588 5.204 -2.718 254 HB1 ALA 38 HB1 ALA 38 0.733 6.434 0.054 255 HB2 ALA 38 HB2 ALA 38 -0.174 4.947 -0.325 256 HB3 ALA 38 HB3 ALA 38 1.584 5.012 -0.551 257 H LYS 39 H LYS 39 -1.592 4.793 -2.811 258 HA LYS 39 HA LYS 39 -3.446 7.138 -3.057 259 HB2 LYS 39 HB2 LYS 39 -3.180 5.952 -5.148 260 HB3 LYS 39 HB3 LYS 39 -3.370 4.394 -4.362 261 HG2 LYS 39 HG2 LYS 39 -5.345 4.862 -5.626 262 HG3 LYS 39 HG3 LYS 39 -5.776 4.866 -3.918 263 HD2 LYS 39 HD2 LYS 39 -5.738 7.367 -3.948 264 HD3 LYS 39 HD3 LYS 39 -5.315 7.337 -5.667 265 HE2 LYS 39 HE2 LYS 39 -7.429 6.215 -6.200 266 HE3 LYS 39 HE3 LYS 39 -7.826 6.073 -4.477 267 HZ1 LYS 39 HZ1 LYS 39 -7.496 8.651 -5.903 268 HZ2 LYS 39 HZ2 LYS 39 -7.939 8.495 -4.345 269 HZ3 LYS 39 HZ3 LYS 39 -8.949 7.981 -5.539 270 H ILE 40 H ILE 40 -5.198 7.282 -1.792 271 HA ILE 40 HA ILE 40 -6.096 4.891 -0.228 272 HB ILE 40 HB ILE 40 -5.268 7.075 0.932 273 HG12 ILE 40 HG12 ILE 40 -6.066 5.338 2.246 274 HG13 ILE 40 HG13 ILE 40 -6.796 6.832 2.804 275 HG21 ILE 40 HG21 ILE 40 -6.865 8.788 1.401 276 HG22 ILE 40 HG22 ILE 40 -6.666 8.667 -0.349 277 HG23 ILE 40 HG23 ILE 40 -8.115 7.997 0.429 278 HD11 ILE 40 HD11 ILE 40 -8.463 5.171 2.987 279 HD12 ILE 40 HD12 ILE 40 -8.926 6.121 1.564 280 HD13 ILE 40 HD13 ILE 40 -8.144 4.525 1.379 281 H ILE 41 H ILE 41 -8.168 4.103 -0.677 282 HA ILE 41 HA ILE 41 -10.025 5.966 -2.065 283 HB ILE 41 HB ILE 41 -9.452 4.405 -3.677 284 HG12 ILE 41 HG12 ILE 41 -11.623 3.372 -4.208 285 HG13 ILE 41 HG13 ILE 41 -12.209 3.742 -2.585 286 HG21 ILE 41 HG21 ILE 41 -9.790 2.311 -1.545 287 HG22 ILE 41 HG22 ILE 41 -10.098 1.895 -3.232 288 HG23 ILE 41 HG23 ILE 41 -8.516 2.543 -2.745 289 HD11 ILE 41 HD11 ILE 41 -12.990 5.376 -4.273 290 HD12 ILE 41 HD12 ILE 41 -11.998 6.171 -3.052 291 HD13 ILE 41 HD13 ILE 41 -11.309 5.802 -4.651 292 H ASN 42 H ASN 42 -11.312 6.806 -0.669 293 HA ASN 42 HA ASN 42 -13.372 5.029 0.335 294 HB2 ASN 42 HB2 ASN 42 -13.461 5.792 2.589 295 HB3 ASN 42 HB3 ASN 42 -11.833 5.193 2.310 296 HD21 ASN 42 HD21 ASN 42 -13.291 7.358 4.109 297 HD22 ASN 42 HD22 ASN 42 -12.179 8.719 3.996 298 H ASP 43 H ASP 43 -15.259 5.883 -0.516 299 HA ASP 43 HA ASP 43 -15.398 8.828 -0.934 300 HB2 ASP 43 HB2 ASP 43 -16.175 7.224 -2.709 301 HB3 ASP 43 HB3 ASP 43 -17.517 6.786 -1.625 302 H ARG 44 H ARG 44 -16.263 10.190 0.503 303 HA ARG 44 HA ARG 44 -18.059 9.317 2.652 304 HB2 ARG 44 HB2 ARG 44 -17.770 11.339 3.625 305 HB3 ARG 44 HB3 ARG 44 -16.240 11.152 2.799 306 HG2 ARG 44 HG2 ARG 44 -18.603 12.866 1.904 307 HG3 ARG 44 HG3 ARG 44 -17.143 13.448 2.682 308 HD2 ARG 44 HD2 ARG 44 -15.787 13.002 0.767 309 HD3 ARG 44 HD3 ARG 44 -17.064 12.041 -0.010 310 HE ARG 44 HE ARG 44 -17.965 14.735 0.551 311 HH11 ARG 44 HH11 ARG 44 -15.951 13.119 -1.837 312 HH12 ARG 44 HH12 ARG 44 -16.571 14.143 -3.114 313 HH21 ARG 44 HH21 ARG 44 -18.658 15.911 -1.037 314 HH22 ARG 44 HH22 ARG 44 -18.267 15.514 -2.719 315 H GLU 45 H GLU 45 -18.588 10.316 -0.583 316 HA GLU 45 HA GLU 45 -21.232 11.502 -0.146 317 HB2 GLU 45 HB2 GLU 45 -19.642 12.281 -1.889 318 HB3 GLU 45 HB3 GLU 45 -19.751 10.698 -2.670 319 HG2 GLU 45 HG2 GLU 45 -22.229 11.093 -2.989 320 HG3 GLU 45 HG3 GLU 45 -22.006 12.714 -2.321 321 H THR 46 H THR 46 -20.124 8.645 -2.022 322 HA THR 46 HA THR 46 -22.773 7.348 -1.711 323 HB THR 46 HB THR 46 -21.977 5.689 -3.276 324 HG1 THR 46 HG1 THR 46 -19.556 7.189 -3.330 325 HG21 THR 46 HG21 THR 46 -21.342 8.522 -4.208 326 HG22 THR 46 HG22 THR 46 -22.920 7.717 -4.244 327 HG23 THR 46 HG23 THR 46 -21.590 7.112 -5.254 328 H GLY 47 H GLY 47 -20.137 7.544 0.203 329 HA2 GLY 47 HA2 GLY 47 -19.818 6.620 2.255 330 HA3 GLY 47 HA3 GLY 47 -21.109 5.476 1.939 331 H ARG 48 H ARG 48 -19.067 4.846 -0.575 332 HA ARG 48 HA ARG 48 -18.240 2.366 0.556 333 HB2 ARG 48 HB2 ARG 48 -16.963 2.039 -1.560 334 HB3 ARG 48 HB3 ARG 48 -18.687 2.329 -1.728 335 HG2 ARG 48 HG2 ARG 48 -18.426 4.436 -2.672 336 HG3 ARG 48 HG3 ARG 48 -16.804 4.668 -2.015 337 HD2 ARG 48 HD2 ARG 48 -16.780 4.310 -4.438 338 HD3 ARG 48 HD3 ARG 48 -15.832 3.133 -3.521 339 HE ARG 48 HE ARG 48 -18.555 2.186 -4.044 340 HH11 ARG 48 HH11 ARG 48 -15.560 2.559 -5.923 341 HH12 ARG 48 HH12 ARG 48 -16.030 1.194 -6.929 342 HH21 ARG 48 HH21 ARG 48 -19.039 0.688 -5.445 343 HH22 ARG 48 HH22 ARG 48 -17.909 0.235 -6.725 344 H SER 49 H SER 49 -16.962 2.433 2.303 345 HA SER 49 HA SER 49 -14.213 3.533 2.153 346 HB2 SER 49 HB2 SER 49 -14.131 2.332 4.515 347 HB3 SER 49 HB3 SER 49 -14.896 3.895 4.267 348 HG SER 49 HG SER 49 -16.247 1.394 4.507 349 H ARG 50 H ARG 50 -13.508 2.352 0.359 350 HA ARG 50 HA ARG 50 -13.797 -0.480 0.012 351 HB2 ARG 50 HB2 ARG 50 -11.891 1.586 -1.148 352 HB3 ARG 50 HB3 ARG 50 -11.931 -0.065 -1.718 353 HG2 ARG 50 HG2 ARG 50 -14.393 1.733 -1.822 354 HG3 ARG 50 HG3 ARG 50 -13.149 1.717 -3.058 355 HD2 ARG 50 HD2 ARG 50 -14.575 0.289 -4.015 356 HD3 ARG 50 HD3 ARG 50 -13.504 -0.840 -3.189 357 HE ARG 50 HE ARG 50 -15.583 -0.458 -1.364 358 HH11 ARG 50 HH11 ARG 50 -15.479 -1.600 -4.708 359 HH12 ARG 50 HH12 ARG 50 -17.116 -2.226 -4.592 360 HH21 ARG 50 HH21 ARG 50 -17.438 -1.486 -1.240 361 HH22 ARG 50 HH22 ARG 50 -18.046 -2.429 -2.599 362 H GLY 51 H GLY 51 -11.194 1.355 1.532 363 HA2 GLY 51 HA2 GLY 51 -9.723 0.659 3.143 364 HA3 GLY 51 HA3 GLY 51 -10.543 -0.877 3.212 365 H PHE 52 H PHE 52 -8.862 0.385 0.332 366 HA PHE 52 HA PHE 52 -6.415 -1.129 0.928 367 HB2 PHE 52 HB2 PHE 52 -6.316 -2.039 -1.385 368 HB3 PHE 52 HB3 PHE 52 -7.494 -2.794 -0.357 369 HD1 PHE 52 HD1 PHE 52 -7.109 -0.295 -3.138 370 HD2 PHE 52 HD2 PHE 52 -9.788 -2.934 -1.024 371 HE1 PHE 52 HE1 PHE 52 -8.857 0.096 -4.857 372 HE2 PHE 52 HE2 PHE 52 -11.516 -2.570 -2.760 373 HZ PHE 52 HZ PHE 52 -11.073 -1.027 -4.665 374 H GLY 53 H GLY 53 -4.699 -0.581 -0.687 375 HA2 GLY 53 HA2 GLY 53 -5.033 1.989 -2.105 376 HA3 GLY 53 HA3 GLY 53 -3.822 1.939 -0.818 377 H PHE 54 H PHE 54 -3.065 2.543 -3.322 378 HA PHE 54 HA PHE 54 -1.333 0.219 -4.019 379 HB2 PHE 54 HB2 PHE 54 -2.248 2.434 -5.881 380 HB3 PHE 54 HB3 PHE 54 -1.029 1.223 -6.256 381 HD1 PHE 54 HD1 PHE 54 -1.680 -1.243 -6.274 382 HD2 PHE 54 HD2 PHE 54 -4.589 1.933 -6.189 383 HE1 PHE 54 HE1 PHE 54 -3.435 -2.822 -7.059 384 HE2 PHE 54 HE2 PHE 54 -6.337 0.354 -6.969 385 HZ PHE 54 HZ PHE 54 -5.767 -2.026 -7.399 386 H VAL 55 H VAL 55 0.858 0.578 -3.910 387 HA VAL 55 HA VAL 55 1.806 3.291 -3.111 388 HB VAL 55 HB VAL 55 1.448 2.019 -1.099 389 HG11 VAL 55 HG11 VAL 55 1.697 -0.292 -1.947 390 HG12 VAL 55 HG12 VAL 55 3.441 -0.025 -2.146 391 HG13 VAL 55 HG13 VAL 55 2.709 0.007 -0.531 392 HG21 VAL 55 HG21 VAL 55 3.393 3.585 -1.223 393 HG22 VAL 55 HG22 VAL 55 3.592 2.278 -0.045 394 HG23 VAL 55 HG23 VAL 55 4.442 2.200 -1.597 395 H SER 56 H SER 56 3.795 3.891 -3.688 396 HA SER 56 HA SER 56 5.085 2.332 -5.899 397 HB2 SER 56 HB2 SER 56 4.648 5.325 -5.747 398 HB3 SER 56 HB3 SER 56 5.142 4.385 -7.162 399 HG SER 56 HG SER 56 2.821 5.164 -6.595 400 H PHE 57 H PHE 57 7.257 2.501 -6.160 401 HA PHE 57 HA PHE 57 8.914 4.062 -4.230 402 HB2 PHE 57 HB2 PHE 57 10.156 1.710 -4.057 403 HB3 PHE 57 HB3 PHE 57 8.847 2.155 -2.993 404 HD1 PHE 57 HD1 PHE 57 9.801 -0.004 -5.839 405 HD2 PHE 57 HD2 PHE 57 6.608 1.122 -3.174 406 HE1 PHE 57 HE1 PHE 57 8.415 -1.890 -6.676 407 HE2 PHE 57 HE2 PHE 57 5.248 -0.783 -3.984 408 HZ PHE 57 HZ PHE 57 6.155 -2.299 -5.742 409 H SER 58 H SER 58 11.121 4.291 -4.826 410 HA SER 58 HA SER 58 11.318 4.511 -7.764 411 HB2 SER 58 HB2 SER 58 13.051 5.704 -5.587 412 HB3 SER 58 HB3 SER 58 13.096 6.100 -7.319 413 HG SER 58 HG SER 58 11.795 7.606 -6.301 414 H ASN 59 H ASN 59 12.679 2.404 -5.397 415 HA ASN 59 HA ASN 59 14.968 1.727 -7.204 416 HB2 ASN 59 HB2 ASN 59 14.893 1.861 -4.178 417 HB3 ASN 59 HB3 ASN 59 16.161 1.093 -5.100 418 HD21 ASN 59 HD21 ASN 59 17.853 2.405 -4.501 419 HD22 ASN 59 HD22 ASN 59 17.953 4.086 -5.026 420 H GLU 60 H GLU 60 15.776 -0.316 -7.223 421 HA GLU 60 HA GLU 60 13.654 -2.254 -7.596 422 HB2 GLU 60 HB2 GLU 60 16.649 -2.440 -8.005 423 HB3 GLU 60 HB3 GLU 60 15.491 -3.618 -8.604 424 HG2 GLU 60 HG2 GLU 60 14.634 -2.187 -10.241 425 HG3 GLU 60 HG3 GLU 60 15.204 -0.717 -9.447 426 H GLN 61 H GLN 61 16.523 -2.194 -5.394 427 HA GLN 61 HA GLN 61 16.053 -4.855 -4.338 428 HB2 GLN 61 HB2 GLN 61 17.593 -2.432 -3.348 429 HB3 GLN 61 HB3 GLN 61 17.405 -3.887 -2.364 430 HG2 GLN 61 HG2 GLN 61 18.411 -5.243 -4.218 431 HG3 GLN 61 HG3 GLN 61 18.717 -3.743 -5.110 432 HE21 GLN 61 HE21 GLN 61 19.324 -5.291 -1.899 433 HE22 GLN 61 HE22 GLN 61 20.888 -4.499 -1.659 434 H ALA 62 H ALA 62 14.928 -1.609 -3.340 435 HA ALA 62 HA ALA 62 13.509 -2.348 -1.016 436 HB1 ALA 62 HB1 ALA 62 12.283 -0.260 -1.381 437 HB2 ALA 62 HB2 ALA 62 14.003 -0.031 -1.756 438 HB3 ALA 62 HB3 ALA 62 12.822 -0.198 -3.073 439 H MET 63 H MET 63 12.480 -2.559 -4.458 440 HA MET 63 HA MET 63 9.780 -3.321 -3.968 441 HB2 MET 63 HB2 MET 63 10.620 -2.557 -6.142 442 HB3 MET 63 HB3 MET 63 11.654 -3.971 -6.281 443 HG2 MET 63 HG2 MET 63 9.777 -5.463 -6.464 444 HG3 MET 63 HG3 MET 63 8.636 -4.151 -6.146 445 HE1 MET 63 HE1 MET 63 8.107 -5.229 -9.941 446 HE2 MET 63 HE2 MET 63 8.650 -6.295 -8.627 447 HE3 MET 63 HE3 MET 63 7.349 -5.115 -8.337 448 H GLN 64 H GLN 64 12.741 -5.330 -3.808 449 HA GLN 64 HA GLN 64 11.079 -7.760 -3.413 450 HB2 GLN 64 HB2 GLN 64 14.084 -7.349 -3.553 451 HB3 GLN 64 HB3 GLN 64 13.268 -8.846 -3.065 452 HG2 GLN 64 HG2 GLN 64 11.946 -8.757 -5.213 453 HG3 GLN 64 HG3 GLN 64 12.973 -7.429 -5.746 454 HE21 GLN 64 HE21 GLN 64 12.741 -9.550 -7.330 455 HE22 GLN 64 HE22 GLN 64 14.244 -10.465 -7.361 456 H ASP 65 H ASP 65 13.436 -5.832 -1.488 457 HA ASP 65 HA ASP 65 13.181 -7.263 0.927 458 HB2 ASP 65 HB2 ASP 65 13.792 -4.344 0.315 459 HB3 ASP 65 HB3 ASP 65 13.736 -4.955 1.963 460 H ALA 66 H ALA 66 11.110 -4.590 -0.276 461 HA ALA 66 HA ALA 66 9.494 -4.470 2.108 462 HB1 ALA 66 HB1 ALA 66 9.770 -2.583 0.477 463 HB2 ALA 66 HB2 ALA 66 8.814 -3.504 -0.695 464 HB3 ALA 66 HB3 ALA 66 8.080 -2.985 0.838 465 H ILE 67 H ILE 67 8.699 -5.852 -1.165 466 HA ILE 67 HA ILE 67 6.212 -6.938 -0.382 467 HB ILE 67 HB ILE 67 8.169 -7.832 -2.526 468 HG12 ILE 67 HG12 ILE 67 7.316 -5.512 -2.778 469 HG13 ILE 67 HG13 ILE 67 6.822 -6.577 -4.078 470 HG21 ILE 67 HG21 ILE 67 5.285 -8.720 -2.126 471 HG22 ILE 67 HG22 ILE 67 6.171 -8.881 -3.658 472 HG23 ILE 67 HG23 ILE 67 6.743 -9.731 -2.223 473 HD11 ILE 67 HD11 ILE 67 4.539 -6.722 -3.102 474 HD12 ILE 67 HD12 ILE 67 5.054 -5.655 -1.768 475 HD13 ILE 67 HD13 ILE 67 5.042 -5.060 -3.433 476 H GLU 68 H GLU 68 9.451 -8.491 -0.118 477 HA GLU 68 HA GLU 68 8.407 -10.952 0.982 478 HB2 GLU 68 HB2 GLU 68 11.135 -9.617 1.151 479 HB3 GLU 68 HB3 GLU 68 10.777 -11.243 1.753 480 HG2 GLU 68 HG2 GLU 68 10.120 -11.994 -0.478 481 HG3 GLU 68 HG3 GLU 68 10.343 -10.382 -1.148 482 H GLY 69 H GLY 69 9.431 -7.893 2.556 483 HA2 GLY 69 HA2 GLY 69 9.201 -8.969 5.264 484 HA3 GLY 69 HA3 GLY 69 9.550 -7.312 4.780 485 H MET 70 H MET 70 7.138 -6.962 3.181 486 HA MET 70 HA MET 70 5.281 -5.937 5.081 487 HB2 MET 70 HB2 MET 70 5.153 -6.576 2.112 488 HB3 MET 70 HB3 MET 70 3.754 -5.911 2.934 489 HG2 MET 70 HG2 MET 70 6.201 -4.373 3.523 490 HG3 MET 70 HG3 MET 70 5.968 -4.533 1.788 491 HE1 MET 70 HE1 MET 70 6.158 -1.745 3.021 492 HE2 MET 70 HE2 MET 70 4.659 -0.967 3.585 493 HE3 MET 70 HE3 MET 70 5.449 -2.194 4.595 494 H ASN 71 H ASN 71 5.285 -8.971 3.214 495 HA ASN 71 HA ASN 71 2.708 -9.799 3.431 496 HB2 ASN 71 HB2 ASN 71 4.403 -10.994 2.167 497 HB3 ASN 71 HB3 ASN 71 5.278 -11.400 3.647 498 HD21 ASN 71 HD21 ASN 71 5.217 -13.604 3.280 499 HD22 ASN 71 HD22 ASN 71 3.739 -14.518 3.580 500 H GLY 72 H GLY 72 1.448 -9.506 5.156 501 HA2 GLY 72 HA2 GLY 72 0.280 -10.415 6.926 502 HA3 GLY 72 HA3 GLY 72 1.588 -11.556 7.242 503 H LYS 73 H LYS 73 2.475 -8.121 7.139 504 HA LYS 73 HA LYS 73 3.103 -8.223 10.012 505 HB2 LYS 73 HB2 LYS 73 3.368 -6.074 7.909 506 HB3 LYS 73 HB3 LYS 73 3.746 -5.743 9.590 507 HG2 LYS 73 HG2 LYS 73 5.050 -7.919 7.876 508 HG3 LYS 73 HG3 LYS 73 5.718 -6.315 8.177 509 HD2 LYS 73 HD2 LYS 73 5.592 -6.892 10.692 510 HD3 LYS 73 HD3 LYS 73 5.307 -8.565 10.191 511 HE2 LYS 73 HE2 LYS 73 7.734 -6.842 9.538 512 HE3 LYS 73 HE3 LYS 73 7.665 -8.154 10.726 513 HZ1 LYS 73 HZ1 LYS 73 7.239 -9.702 8.879 514 HZ2 LYS 73 HZ2 LYS 73 8.650 -8.870 8.645 515 HZ3 LYS 73 HZ3 LYS 73 7.310 -8.468 7.802 516 H GLU 74 H GLU 74 2.214 -7.293 11.685 517 HA GLU 74 HA GLU 74 -0.564 -6.273 11.518 518 HB2 GLU 74 HB2 GLU 74 1.293 -6.902 13.850 519 HB3 GLU 74 HB3 GLU 74 -0.339 -6.251 14.017 520 HG2 GLU 74 HG2 GLU 74 -1.229 -8.236 12.760 521 HG3 GLU 74 HG3 GLU 74 0.403 -8.908 12.707 522 H LEU 75 H LEU 75 -0.944 -4.238 11.110 523 HA LEU 75 HA LEU 75 0.888 -2.075 12.014 524 HB2 LEU 75 HB2 LEU 75 1.478 -3.193 9.720 525 HB3 LEU 75 HB3 LEU 75 0.004 -2.449 9.125 526 HG LEU 75 HG LEU 75 0.976 -0.192 9.904 527 HD11 LEU 75 HD11 LEU 75 3.530 -0.236 10.061 528 HD12 LEU 75 HD12 LEU 75 3.403 -2.008 10.250 529 HD13 LEU 75 HD13 LEU 75 2.693 -0.921 11.454 530 HD21 LEU 75 HD21 LEU 75 2.548 -1.743 7.804 531 HD22 LEU 75 HD22 LEU 75 2.396 0.024 7.936 532 HD23 LEU 75 HD23 LEU 75 0.975 -0.946 7.543 533 H ASP 76 H ASP 76 -0.200 -0.185 12.448 534 HA ASP 76 HA ASP 76 -1.984 1.049 13.131 535 HB2 ASP 76 HB2 ASP 76 -1.920 1.640 10.706 536 HB3 ASP 76 HB3 ASP 76 -3.195 0.471 10.388 537 H GLY 77 H GLY 77 -2.185 -1.960 13.669 538 HA2 GLY 77 HA2 GLY 77 -3.730 -3.290 14.806 539 HA3 GLY 77 HA3 GLY 77 -4.966 -2.047 14.627 540 H ARG 78 H ARG 78 -3.345 -3.035 11.726 541 HA ARG 78 HA ARG 78 -5.665 -4.636 10.712 542 HB2 ARG 78 HB2 ARG 78 -3.739 -3.144 8.949 543 HB3 ARG 78 HB3 ARG 78 -5.384 -3.654 8.603 544 HG2 ARG 78 HG2 ARG 78 -4.504 -1.332 10.344 545 HG3 ARG 78 HG3 ARG 78 -5.166 -1.205 8.730 546 HD2 ARG 78 HD2 ARG 78 -7.348 -1.713 9.438 547 HD3 ARG 78 HD3 ARG 78 -6.793 -2.465 10.948 548 HE ARG 78 HE ARG 78 -5.899 0.225 10.963 549 HH11 ARG 78 HH11 ARG 78 -8.948 -1.465 11.312 550 HH12 ARG 78 HH12 ARG 78 -9.539 -0.315 12.487 551 HH21 ARG 78 HH21 ARG 78 -6.603 1.579 12.322 552 HH22 ARG 78 HH22 ARG 78 -8.201 1.454 13.077 553 H SER 79 H SER 79 -4.739 -5.936 8.676 554 HA SER 79 HA SER 79 -1.987 -6.991 9.265 555 HB2 SER 79 HB2 SER 79 -4.327 -8.595 8.181 556 HB3 SER 79 HB3 SER 79 -2.640 -9.124 8.238 557 HG SER 79 HG SER 79 -3.517 -9.936 9.991 558 H ILE 80 H ILE 80 -0.670 -6.137 7.713 559 HA ILE 80 HA ILE 80 -1.855 -5.315 5.172 560 HB ILE 80 HB ILE 80 0.413 -4.632 4.484 561 HG12 ILE 80 HG12 ILE 80 1.234 -4.719 7.394 562 HG13 ILE 80 HG13 ILE 80 1.584 -6.082 6.327 563 HG21 ILE 80 HG21 ILE 80 -1.259 -3.066 5.258 564 HG22 ILE 80 HG22 ILE 80 -0.845 -3.384 6.957 565 HG23 ILE 80 HG23 ILE 80 0.312 -2.572 5.885 566 HD11 ILE 80 HD11 ILE 80 3.493 -4.483 6.408 567 HD12 ILE 80 HD12 ILE 80 2.808 -4.631 4.787 568 HD13 ILE 80 HD13 ILE 80 2.454 -3.203 5.779 569 H VAL 81 H VAL 81 -2.041 -6.275 3.420 570 HA VAL 81 HA VAL 81 -0.532 -8.793 2.840 571 HB VAL 81 HB VAL 81 -3.436 -8.098 2.260 572 HG11 VAL 81 HG11 VAL 81 -1.813 -10.553 1.450 573 HG12 VAL 81 HG12 VAL 81 -3.576 -10.396 1.339 574 HG13 VAL 81 HG13 VAL 81 -2.546 -9.358 0.350 575 HG21 VAL 81 HG21 VAL 81 -3.879 -10.103 3.660 576 HG22 VAL 81 HG22 VAL 81 -2.134 -10.272 3.964 577 HG23 VAL 81 HG23 VAL 81 -3.026 -8.863 4.579 578 H VAL 82 H VAL 82 0.499 -8.885 0.986 579 HA VAL 82 HA VAL 82 0.382 -6.473 -0.777 580 HB VAL 82 HB VAL 82 2.789 -6.771 -1.170 581 HG11 VAL 82 HG11 VAL 82 1.702 -5.029 0.205 582 HG12 VAL 82 HG12 VAL 82 1.895 -6.062 1.643 583 HG13 VAL 82 HG13 VAL 82 3.319 -5.439 0.749 584 HG21 VAL 82 HG21 VAL 82 4.151 -7.825 0.531 585 HG22 VAL 82 HG22 VAL 82 2.716 -8.429 1.382 586 HG23 VAL 82 HG23 VAL 82 3.137 -9.035 -0.237 587 H ASN 83 H ASN 83 0.415 -6.679 -2.964 588 HA ASN 83 HA ASN 83 1.987 -8.706 -4.188 589 HB2 ASN 83 HB2 ASN 83 0.475 -9.671 -5.758 590 HB3 ASN 83 HB3 ASN 83 -0.098 -10.041 -4.140 591 HD21 ASN 83 HD21 ASN 83 -1.524 -10.011 -6.760 592 HD22 ASN 83 HD22 ASN 83 -2.908 -8.969 -6.474 593 H GLU 84 H GLU 84 2.175 -8.344 -6.570 594 HA GLU 84 HA GLU 84 2.744 -5.649 -7.214 595 HB2 GLU 84 HB2 GLU 84 2.798 -6.733 -9.659 596 HB3 GLU 84 HB3 GLU 84 4.045 -6.953 -8.455 597 HG2 GLU 84 HG2 GLU 84 3.645 -9.047 -9.517 598 HG3 GLU 84 HG3 GLU 84 3.175 -9.133 -7.824 599 H ALA 85 H ALA 85 1.935 -4.229 -8.833 600 HA ALA 85 HA ALA 85 -0.973 -4.543 -9.456 601 HB1 ALA 85 HB1 ALA 85 -0.506 -2.848 -7.733 602 HB2 ALA 85 HB2 ALA 85 0.620 -2.024 -8.841 603 HB3 ALA 85 HB3 ALA 85 -1.109 -2.092 -9.220 604 H GLN 86 H GLN 86 1.663 -5.093 -11.116 605 HA GLN 86 HA GLN 86 1.783 -3.073 -13.141 606 HB2 GLN 86 HB2 GLN 86 2.893 -5.901 -13.071 607 HB3 GLN 86 HB3 GLN 86 3.275 -4.693 -14.301 608 HG2 GLN 86 HG2 GLN 86 4.139 -3.171 -12.537 609 HG3 GLN 86 HG3 GLN 86 3.881 -4.429 -11.325 610 HE21 GLN 86 HE21 GLN 86 6.392 -3.255 -11.853 611 HE22 GLN 86 HE22 GLN 86 7.446 -4.470 -12.585 612 H SER 87 H SER 87 -0.462 -5.662 -12.844 613 HA SER 87 HA SER 87 -1.190 -5.897 -15.657 614 HB2 SER 87 HB2 SER 87 -2.808 -6.481 -13.149 615 HB3 SER 87 HB3 SER 87 -3.199 -7.013 -14.796 616 HG SER 87 HG SER 87 -1.255 -8.181 -14.837 617 H ARG 88 H ARG 88 -1.697 -3.379 -13.353 618 HA ARG 88 HA ARG 88 -4.452 -2.804 -14.234 619 HB2 ARG 88 HB2 ARG 88 -2.849 -1.563 -11.975 620 HB3 ARG 88 HB3 ARG 88 -4.597 -1.474 -12.236 621 HG2 ARG 88 HG2 ARG 88 -4.750 -3.963 -11.966 622 HG3 ARG 88 HG3 ARG 88 -3.023 -4.024 -11.611 623 HD2 ARG 88 HD2 ARG 88 -3.372 -2.511 -9.674 624 HD3 ARG 88 HD3 ARG 88 -5.110 -2.548 -9.969 625 HE ARG 88 HE ARG 88 -3.425 -4.736 -8.864 626 HH11 ARG 88 HH11 ARG 88 -6.654 -4.048 -10.159 627 HH12 ARG 88 HH12 ARG 88 -7.300 -5.395 -9.223 628 HH21 ARG 88 HH21 ARG 88 -4.394 -6.376 -7.836 629 HH22 ARG 88 HH22 ARG 88 -6.117 -6.663 -8.084 630 H GLY 89 H GLY 89 -1.447 -1.636 -15.196 631 HA2 GLY 89 HA2 GLY 89 -2.111 1.070 -15.855 632 HA3 GLY 89 HA3 GLY 89 -0.780 0.129 -16.501 633 H TYR 90 H TYR 90 -1.559 1.716 -18.249 634 HA TYR 90 HA TYR 90 -3.332 0.401 -20.239 635 HB2 TYR 90 HB2 TYR 90 -4.821 1.881 -19.137 636 HB3 TYR 90 HB3 TYR 90 -3.602 3.129 -18.980 637 HD1 TYR 90 HD2 TYR 90 -5.587 1.307 -21.628 638 HD2 TYR 90 HD1 TYR 90 -3.472 4.890 -20.481 639 HE1 TYR 90 HE2 TYR 90 -6.379 2.444 -23.699 640 HE2 TYR 90 HE1 TYR 90 -4.272 6.020 -22.539 641 HH TYR 90 HH TYR 90 -6.215 4.345 -25.010 642 H GLY 91 H GLY 91 -2.681 0.613 -22.295 643 HA2 GLY 91 HA2 GLY 91 -1.863 1.572 -24.186 644 HA3 GLY 91 HA3 GLY 91 -1.188 2.900 -23.244 645 H GLY 92 H GLY 92 0.442 0.804 -21.603 646 HA2 GLY 92 HA2 GLY 92 2.077 -0.830 -23.175 647 HA3 GLY 92 HA3 GLY 92 2.828 0.765 -23.265 Start of MODEL 17 1 H1 MET 1 H1 MET 1 13.128 -10.137 -10.391 2 H2 MET 1 H2 MET 1 12.296 -10.993 -11.524 3 H3 MET 1 H3 MET 1 11.646 -10.753 -10.030 4 HA MET 1 HA MET 1 10.580 -9.370 -11.610 5 HB2 MET 1 HB2 MET 1 10.733 -7.282 -10.486 6 HB3 MET 1 HB3 MET 1 10.795 -8.568 -9.297 7 HG2 MET 1 HG2 MET 1 13.129 -6.868 -10.279 8 HG3 MET 1 HG3 MET 1 12.289 -6.734 -8.746 9 HE1 MET 1 HE1 MET 1 14.218 -6.583 -7.350 10 HE2 MET 1 HE2 MET 1 15.535 -7.759 -7.212 11 HE3 MET 1 HE3 MET 1 15.407 -6.740 -8.664 12 H ALA 2 H ALA 2 10.600 -8.253 -13.423 13 HA ALA 2 HA ALA 2 13.010 -6.825 -14.340 14 HB1 ALA 2 HB1 ALA 2 11.514 -8.863 -16.046 15 HB2 ALA 2 HB2 ALA 2 12.778 -7.753 -16.618 16 HB3 ALA 2 HB3 ALA 2 13.174 -9.014 -15.431 17 H GLU 3 H GLU 3 12.263 -4.802 -14.351 18 HA GLU 3 HA GLU 3 9.560 -4.168 -15.450 19 HB2 GLU 3 HB2 GLU 3 11.372 -2.647 -13.542 20 HB3 GLU 3 HB3 GLU 3 9.929 -1.976 -14.295 21 HG2 GLU 3 HG2 GLU 3 9.288 -2.670 -12.133 22 HG3 GLU 3 HG3 GLU 3 8.537 -3.754 -13.296 23 H SER 4 H SER 4 10.183 -4.372 -17.662 24 HA SER 4 HA SER 4 11.965 -2.457 -18.928 25 HB2 SER 4 HB2 SER 4 9.536 -3.835 -20.113 26 HB3 SER 4 HB3 SER 4 10.924 -3.163 -20.977 27 HG SER 4 HG SER 4 12.202 -4.795 -19.765 28 H ASP 5 H ASP 5 10.795 -0.897 -20.633 29 HA ASP 5 HA ASP 5 9.937 1.304 -19.200 30 HB2 ASP 5 HB2 ASP 5 9.354 0.611 -22.112 31 HB3 ASP 5 HB3 ASP 5 9.117 2.214 -21.410 32 H GLY 6 H GLY 6 7.781 -1.186 -20.451 33 HA2 GLY 6 HA2 GLY 6 5.263 0.181 -20.101 34 HA3 GLY 6 HA3 GLY 6 5.536 -1.542 -20.336 35 H ALA 7 H ALA 7 7.384 -1.213 -17.736 36 HA ALA 7 HA ALA 7 5.158 -1.490 -15.766 37 HB1 ALA 7 HB1 ALA 7 6.463 -3.379 -14.811 38 HB2 ALA 7 HB2 ALA 7 5.948 -3.682 -16.481 39 HB3 ALA 7 HB3 ALA 7 7.626 -3.219 -16.143 40 H GLU 8 H GLU 8 5.672 -1.131 -13.560 41 HA GLU 8 HA GLU 8 8.058 0.508 -12.933 42 HB2 GLU 8 HB2 GLU 8 6.673 2.272 -11.983 43 HB3 GLU 8 HB3 GLU 8 6.405 2.093 -13.713 44 HG2 GLU 8 HG2 GLU 8 4.264 0.911 -13.301 45 HG3 GLU 8 HG3 GLU 8 4.555 0.945 -11.571 46 H TYR 9 H TYR 9 8.179 1.057 -10.518 47 HA TYR 9 HA TYR 9 7.733 -1.441 -9.058 48 HB2 TYR 9 HB2 TYR 9 8.893 1.099 -7.933 49 HB3 TYR 9 HB3 TYR 9 9.159 -0.552 -7.404 50 HD1 TYR 9 HD1 TYR 9 10.094 -2.047 -9.696 51 HD2 TYR 9 HD2 TYR 9 10.764 2.106 -8.724 52 HE1 TYR 9 HE1 TYR 9 12.160 -2.038 -11.098 53 HE2 TYR 9 HE2 TYR 9 12.814 2.103 -10.098 54 HH TYR 9 HH TYR 9 14.126 0.941 -11.480 55 H ARG 10 H ARG 10 5.390 -1.379 -9.123 56 HA ARG 10 HA ARG 10 4.102 0.273 -6.975 57 HB2 ARG 10 HB2 ARG 10 3.822 1.293 -9.216 58 HB3 ARG 10 HB3 ARG 10 3.107 -0.208 -9.809 59 HG2 ARG 10 HG2 ARG 10 1.194 0.119 -8.209 60 HG3 ARG 10 HG3 ARG 10 1.919 1.646 -7.687 61 HD2 ARG 10 HD2 ARG 10 1.810 2.503 -10.012 62 HD3 ARG 10 HD3 ARG 10 1.213 0.953 -10.569 63 HE ARG 10 HE ARG 10 -0.912 1.344 -9.539 64 HH11 ARG 10 HH11 ARG 10 1.069 4.294 -9.297 65 HH12 ARG 10 HH12 ARG 10 -0.375 5.273 -9.319 66 HH21 ARG 10 HH21 ARG 10 -2.551 2.648 -9.477 67 HH22 ARG 10 HH22 ARG 10 -2.336 4.408 -9.367 68 H CYS 11 H CYS 11 2.639 -0.773 -5.717 69 HA CYS 11 HA CYS 11 1.520 -3.378 -6.548 70 HB2 CYS 11 HB2 CYS 11 2.452 -4.634 -4.719 71 HB3 CYS 11 HB3 CYS 11 3.769 -3.841 -5.571 72 HG CYS 11 HG CYS 11 3.477 -1.606 -3.860 73 H PHE 12 H PHE 12 -0.107 -4.219 -5.169 74 HA PHE 12 HA PHE 12 -1.911 -2.233 -3.987 75 HB2 PHE 12 HB2 PHE 12 -2.007 -5.254 -4.303 76 HB3 PHE 12 HB3 PHE 12 -3.261 -4.320 -3.520 77 HD1 PHE 12 HD2 PHE 12 -1.625 -4.965 -6.810 78 HD2 PHE 12 HD1 PHE 12 -4.983 -3.241 -4.721 79 HE1 PHE 12 HE2 PHE 12 -2.833 -4.701 -8.961 80 HE2 PHE 12 HE1 PHE 12 -6.198 -3.011 -6.876 81 HZ PHE 12 HZ PHE 12 -5.095 -3.672 -9.002 82 H VAL 13 H VAL 13 -2.459 -2.077 -1.887 83 HA VAL 13 HA VAL 13 -1.309 -3.903 0.174 84 HB VAL 13 HB VAL 13 -1.292 -1.680 1.619 85 HG11 VAL 13 HG11 VAL 13 0.974 -2.439 -0.244 86 HG12 VAL 13 HG12 VAL 13 1.101 -1.483 1.256 87 HG13 VAL 13 HG13 VAL 13 0.584 -3.190 1.325 88 HG21 VAL 13 HG21 VAL 13 -1.967 -0.094 -0.144 89 HG22 VAL 13 HG22 VAL 13 -0.344 0.248 0.470 90 HG23 VAL 13 HG23 VAL 13 -0.531 -0.535 -1.101 91 H GLY 14 H GLY 14 -3.088 -4.926 0.918 92 HA2 GLY 14 HA2 GLY 14 -5.559 -3.331 1.537 93 HA3 GLY 14 HA3 GLY 14 -5.480 -5.077 1.344 94 H SER 15 H SER 15 -5.935 -2.784 3.557 95 HA SER 15 HA SER 15 -5.703 -4.357 5.891 96 HB2 SER 15 HB2 SER 15 -3.883 -3.092 7.107 97 HB3 SER 15 HB3 SER 15 -3.299 -4.172 5.842 98 HG SER 15 HG SER 15 -2.389 -1.999 5.909 99 H LEU 16 H LEU 16 -6.166 -1.278 4.364 100 HA LEU 16 HA LEU 16 -6.096 0.413 6.622 101 HB2 LEU 16 HB2 LEU 16 -7.648 0.951 4.085 102 HB3 LEU 16 HB3 LEU 16 -6.971 2.151 5.141 103 HG LEU 16 HG LEU 16 -5.532 0.341 3.181 104 HD11 LEU 16 HD11 LEU 16 -6.689 2.466 2.487 105 HD12 LEU 16 HD12 LEU 16 -4.924 2.493 2.215 106 HD13 LEU 16 HD13 LEU 16 -5.631 3.355 3.596 107 HD21 LEU 16 HD21 LEU 16 -4.250 2.220 5.210 108 HD22 LEU 16 HD22 LEU 16 -3.434 1.382 3.876 109 HD23 LEU 16 HD23 LEU 16 -4.105 0.444 5.209 110 H SER 17 H SER 17 -7.829 1.863 7.180 111 HA SER 17 HA SER 17 -10.488 0.611 7.685 112 HB2 SER 17 HB2 SER 17 -8.801 2.111 9.735 113 HB3 SER 17 HB3 SER 17 -10.423 1.460 9.994 114 HG SER 17 HG SER 17 -8.133 0.319 10.435 115 H TRP 18 H TRP 18 -12.103 2.274 8.193 116 HA TRP 18 HA TRP 18 -12.252 4.595 6.816 117 HB2 TRP 18 HB2 TRP 18 -14.082 5.195 8.287 118 HB3 TRP 18 HB3 TRP 18 -14.091 3.493 7.905 119 HD1 TRP 18 HD1 TRP 18 -13.237 1.797 9.948 120 HE1 TRP 18 HE1 TRP 18 -13.876 1.900 12.430 121 HE3 TRP 18 HE3 TRP 18 -14.510 6.754 10.254 122 HZ2 TRP 18 HZ2 TRP 18 -14.906 3.837 14.273 123 HZ3 TRP 18 HZ3 TRP 18 -15.445 7.665 12.370 124 HH2 TRP 18 HH2 TRP 18 -15.656 6.218 14.379 125 H ASN 19 H ASN 19 -9.928 4.455 9.246 126 HA ASN 19 HA ASN 19 -9.601 7.403 9.066 127 HB2 ASN 19 HB2 ASN 19 -10.493 6.799 11.309 128 HB3 ASN 19 HB3 ASN 19 -9.108 5.738 11.555 129 HD21 ASN 19 HD21 ASN 19 -8.059 6.738 13.210 130 HD22 ASN 19 HD22 ASN 19 -7.522 8.422 13.170 131 H THR 20 H THR 20 -8.153 4.424 8.291 132 HA THR 20 HA THR 20 -5.354 5.403 8.573 133 HB THR 20 HB THR 20 -6.046 2.992 6.936 134 HG1 THR 20 HG1 THR 20 -5.592 2.589 9.658 135 HG21 THR 20 HG21 THR 20 -3.742 3.606 8.828 136 HG22 THR 20 HG22 THR 20 -3.676 3.712 7.062 137 HG23 THR 20 HG23 THR 20 -3.919 2.141 7.843 138 H ASP 21 H ASP 21 -4.111 6.026 6.724 139 HA ASP 21 HA ASP 21 -5.351 5.727 4.134 140 HB2 ASP 21 HB2 ASP 21 -5.438 8.125 3.535 141 HB3 ASP 21 HB3 ASP 21 -6.456 7.798 4.919 142 H ASP 22 H ASP 22 -3.828 7.492 2.601 143 HA ASP 22 HA ASP 22 -1.460 5.984 2.206 144 HB2 ASP 22 HB2 ASP 22 -0.876 7.775 0.581 145 HB3 ASP 22 HB3 ASP 22 -2.489 7.119 0.383 146 H ARG 23 H ARG 23 -1.982 8.654 4.380 147 HA ARG 23 HA ARG 23 0.725 9.593 4.686 148 HB2 ARG 23 HB2 ARG 23 -1.249 10.771 5.507 149 HB3 ARG 23 HB3 ARG 23 -1.607 9.490 6.651 150 HG2 ARG 23 HG2 ARG 23 0.959 11.144 6.713 151 HG3 ARG 23 HG3 ARG 23 -0.522 11.635 7.523 152 HD2 ARG 23 HD2 ARG 23 1.117 9.159 8.186 153 HD3 ARG 23 HD3 ARG 23 0.995 10.631 9.125 154 HE ARG 23 HE ARG 23 -1.599 9.959 9.066 155 HH11 ARG 23 HH11 ARG 23 1.207 8.085 10.117 156 HH12 ARG 23 HH12 ARG 23 0.187 7.233 11.270 157 HH21 ARG 23 HH21 ARG 23 -2.752 8.516 10.241 158 HH22 ARG 23 HH22 ARG 23 -1.894 7.346 11.237 159 H GLY 24 H GLY 24 -1.036 6.956 6.385 160 HA2 GLY 24 HA2 GLY 24 1.187 6.293 8.115 161 HA3 GLY 24 HA3 GLY 24 -0.274 5.326 7.837 162 H LEU 25 H LEU 25 -0.143 4.742 5.160 163 HA LEU 25 HA LEU 25 1.795 2.713 4.800 164 HB2 LEU 25 HB2 LEU 25 0.448 4.428 2.669 165 HB3 LEU 25 HB3 LEU 25 1.323 2.925 2.348 166 HG LEU 25 HG LEU 25 -1.185 3.051 4.070 167 HD11 LEU 25 HD11 LEU 25 -0.763 2.419 1.116 168 HD12 LEU 25 HD12 LEU 25 -1.761 3.708 1.813 169 HD13 LEU 25 HD13 LEU 25 -2.240 2.020 2.012 170 HD21 LEU 25 HD21 LEU 25 0.371 0.743 2.806 171 HD22 LEU 25 HD22 LEU 25 -1.189 0.591 3.636 172 HD23 LEU 25 HD23 LEU 25 0.238 1.098 4.543 173 H GLU 26 H GLU 26 2.043 6.123 3.604 174 HA GLU 26 HA GLU 26 4.511 5.949 2.297 175 HB2 GLU 26 HB2 GLU 26 3.029 7.891 2.231 176 HB3 GLU 26 HB3 GLU 26 3.304 8.201 3.946 177 HG2 GLU 26 HG2 GLU 26 5.734 8.662 3.403 178 HG3 GLU 26 HG3 GLU 26 5.324 8.484 1.691 179 H ALA 27 H ALA 27 3.986 6.457 5.823 180 HA ALA 27 HA ALA 27 6.817 6.821 6.355 181 HB1 ALA 27 HB1 ALA 27 6.055 6.897 8.695 182 HB2 ALA 27 HB2 ALA 27 5.040 7.906 7.641 183 HB3 ALA 27 HB3 ALA 27 4.445 6.325 8.193 184 H ALA 28 H ALA 28 4.602 4.009 6.613 185 HA ALA 28 HA ALA 28 6.532 2.313 7.956 186 HB1 ALA 28 HB1 ALA 28 4.929 0.512 7.404 187 HB2 ALA 28 HB2 ALA 28 4.109 1.924 8.081 188 HB3 ALA 28 HB3 ALA 28 4.051 1.632 6.328 189 H PHE 29 H PHE 29 5.695 2.832 4.495 190 HA PHE 29 HA PHE 29 7.635 0.840 3.597 191 HB2 PHE 29 HB2 PHE 29 5.777 2.769 2.214 192 HB3 PHE 29 HB3 PHE 29 7.030 1.913 1.331 193 HD1 PHE 29 HD1 PHE 29 4.041 1.286 3.554 194 HD2 PHE 29 HD2 PHE 29 6.790 -0.319 0.663 195 HE1 PHE 29 HE1 PHE 29 2.635 -0.738 3.348 196 HE2 PHE 29 HE2 PHE 29 5.365 -2.351 0.443 197 HZ PHE 29 HZ PHE 29 3.294 -2.561 1.791 198 H SER 30 H SER 30 7.803 4.354 4.128 199 HA SER 30 HA SER 30 10.221 4.944 2.781 200 HB2 SER 30 HB2 SER 30 9.155 5.938 5.453 201 HB3 SER 30 HB3 SER 30 10.611 6.579 4.680 202 HG SER 30 HG SER 30 7.950 6.615 3.695 203 H SER 31 H SER 31 9.811 3.007 5.746 204 HA SER 31 HA SER 31 12.515 3.044 6.592 205 HB2 SER 31 HB2 SER 31 10.493 0.791 6.896 206 HB3 SER 31 HB3 SER 31 11.926 1.096 7.899 207 HG SER 31 HG SER 31 10.330 2.031 9.008 208 H PHE 32 H PHE 32 11.031 1.261 3.922 209 HA PHE 32 HA PHE 32 13.237 -0.699 3.857 210 HB2 PHE 32 HB2 PHE 32 10.708 -0.423 2.213 211 HB3 PHE 32 HB3 PHE 32 11.908 -1.688 1.990 212 HD1 PHE 32 HD1 PHE 32 9.366 -0.338 4.350 213 HD2 PHE 32 HD2 PHE 32 12.124 -3.550 3.542 214 HE1 PHE 32 HE1 PHE 32 8.310 -1.692 6.134 215 HE2 PHE 32 HE2 PHE 32 11.043 -4.915 5.306 216 HZ PHE 32 HZ PHE 32 9.124 -3.996 6.598 217 H GLY 33 H GLY 33 12.364 2.252 2.195 218 HA2 GLY 33 HA2 GLY 33 14.934 2.670 1.129 219 HA3 GLY 33 HA3 GLY 33 13.981 1.954 -0.166 220 H GLU 34 H GLU 34 14.032 3.823 -1.460 221 HA GLU 34 HA GLU 34 13.007 6.348 -0.366 222 HB2 GLU 34 HB2 GLU 34 14.116 5.662 -3.086 223 HB3 GLU 34 HB3 GLU 34 13.626 7.269 -2.544 224 HG2 GLU 34 HG2 GLU 34 15.328 7.110 -0.692 225 HG3 GLU 34 HG3 GLU 34 15.882 5.576 -1.380 226 H ILE 35 H ILE 35 10.930 6.590 -0.168 227 HA ILE 35 HA ILE 35 8.954 5.170 -1.667 228 HB ILE 35 HB ILE 35 8.779 5.910 0.715 229 HG12 ILE 35 HG12 ILE 35 6.400 6.620 0.690 230 HG13 ILE 35 HG13 ILE 35 6.469 6.802 -1.061 231 HG21 ILE 35 HG21 ILE 35 8.174 8.681 -0.393 232 HG22 ILE 35 HG22 ILE 35 8.110 8.169 1.299 233 HG23 ILE 35 HG23 ILE 35 9.664 8.222 0.465 234 HD11 ILE 35 HD11 ILE 35 5.475 4.645 -0.323 235 HD12 ILE 35 HD12 ILE 35 6.941 4.367 -1.276 236 HD13 ILE 35 HD13 ILE 35 6.994 4.226 0.495 237 H LEU 36 H LEU 36 7.499 5.817 -3.254 238 HA LEU 36 HA LEU 36 8.067 8.419 -4.615 239 HB2 LEU 36 HB2 LEU 36 8.853 6.410 -5.833 240 HB3 LEU 36 HB3 LEU 36 7.204 5.790 -5.852 241 HG LEU 36 HG LEU 36 6.482 7.738 -7.218 242 HD11 LEU 36 HD11 LEU 36 9.462 8.416 -7.260 243 HD12 LEU 36 HD12 LEU 36 8.160 9.423 -6.586 244 HD13 LEU 36 HD13 LEU 36 8.224 9.124 -8.318 245 HD21 LEU 36 HD21 LEU 36 8.871 6.219 -8.346 246 HD22 LEU 36 HD22 LEU 36 7.578 7.001 -9.281 247 HD23 LEU 36 HD23 LEU 36 7.203 5.615 -8.249 248 H ASP 37 H ASP 37 5.401 6.136 -3.742 249 HA ASP 37 HA ASP 37 3.518 8.413 -3.674 250 HB2 ASP 37 HB2 ASP 37 3.655 7.399 -6.093 251 HB3 ASP 37 HB3 ASP 37 2.900 5.997 -5.414 252 H ALA 38 H ALA 38 1.529 7.894 -2.600 253 HA ALA 38 HA ALA 38 0.829 5.220 -2.893 254 HB1 ALA 38 HB1 ALA 38 1.811 4.926 -0.623 255 HB2 ALA 38 HB2 ALA 38 0.841 6.267 0.007 256 HB3 ALA 38 HB3 ALA 38 0.055 4.753 -0.499 257 H LYS 39 H LYS 39 -1.410 4.793 -2.716 258 HA LYS 39 HA LYS 39 -3.250 7.167 -2.945 259 HB2 LYS 39 HB2 LYS 39 -2.897 6.060 -5.084 260 HB3 LYS 39 HB3 LYS 39 -3.137 4.478 -4.368 261 HG2 LYS 39 HG2 LYS 39 -5.012 5.122 -5.760 262 HG3 LYS 39 HG3 LYS 39 -5.550 4.858 -4.106 263 HD2 LYS 39 HD2 LYS 39 -5.691 7.295 -3.745 264 HD3 LYS 39 HD3 LYS 39 -4.903 7.614 -5.280 265 HE2 LYS 39 HE2 LYS 39 -7.260 5.872 -5.590 266 HE3 LYS 39 HE3 LYS 39 -7.679 7.383 -4.769 267 HZ1 LYS 39 HZ1 LYS 39 -6.181 7.295 -7.332 268 HZ2 LYS 39 HZ2 LYS 39 -6.834 8.625 -6.592 269 HZ3 LYS 39 HZ3 LYS 39 -7.808 7.482 -7.236 270 H ILE 40 H ILE 40 -5.063 7.200 -1.707 271 HA ILE 40 HA ILE 40 -5.966 4.690 -0.350 272 HB ILE 40 HB ILE 40 -5.317 6.833 0.958 273 HG12 ILE 40 HG12 ILE 40 -6.129 5.032 2.128 274 HG13 ILE 40 HG13 ILE 40 -7.014 6.441 2.682 275 HG21 ILE 40 HG21 ILE 40 -6.681 8.433 -0.372 276 HG22 ILE 40 HG22 ILE 40 -8.152 7.702 0.308 277 HG23 ILE 40 HG23 ILE 40 -6.974 8.492 1.367 278 HD11 ILE 40 HD11 ILE 40 -8.564 4.653 2.627 279 HD12 ILE 40 HD12 ILE 40 -8.974 5.671 1.234 280 HD13 ILE 40 HD13 ILE 40 -8.070 4.142 1.020 281 H ILE 41 H ILE 41 -7.945 3.801 -0.960 282 HA ILE 41 HA ILE 41 -9.681 5.490 -2.668 283 HB ILE 41 HB ILE 41 -8.358 4.155 -4.093 284 HG12 ILE 41 HG12 ILE 41 -10.131 3.131 -5.494 285 HG13 ILE 41 HG13 ILE 41 -11.299 3.405 -4.205 286 HG21 ILE 41 HG21 ILE 41 -8.444 2.079 -2.374 287 HG22 ILE 41 HG22 ILE 41 -9.689 1.561 -3.528 288 HG23 ILE 41 HG23 ILE 41 -8.040 1.971 -4.088 289 HD11 ILE 41 HD11 ILE 41 -9.709 5.585 -5.633 290 HD12 ILE 41 HD12 ILE 41 -11.389 5.134 -5.976 291 HD13 ILE 41 HD13 ILE 41 -10.979 5.853 -4.414 292 H ASN 42 H ASN 42 -11.686 5.553 -2.554 293 HA ASN 42 HA ASN 42 -13.341 4.101 -0.648 294 HB2 ASN 42 HB2 ASN 42 -13.552 6.168 0.799 295 HB3 ASN 42 HB3 ASN 42 -11.993 5.379 0.869 296 HD21 ASN 42 HD21 ASN 42 -11.349 7.362 1.853 297 HD22 ASN 42 HD22 ASN 42 -10.928 8.763 0.877 298 H ASP 43 H ASP 43 -15.511 5.202 -0.413 299 HA ASP 43 HA ASP 43 -16.031 7.377 -2.369 300 HB2 ASP 43 HB2 ASP 43 -17.139 5.039 -2.965 301 HB3 ASP 43 HB3 ASP 43 -18.258 5.432 -1.716 302 H ARG 44 H ARG 44 -15.643 8.864 -0.667 303 HA ARG 44 HA ARG 44 -16.895 8.601 1.936 304 HB2 ARG 44 HB2 ARG 44 -15.603 10.956 0.511 305 HB3 ARG 44 HB3 ARG 44 -16.194 11.042 2.169 306 HG2 ARG 44 HG2 ARG 44 -14.082 9.038 1.243 307 HG3 ARG 44 HG3 ARG 44 -13.710 10.616 1.928 308 HD2 ARG 44 HD2 ARG 44 -14.922 9.999 4.015 309 HD3 ARG 44 HD3 ARG 44 -15.254 8.404 3.348 310 HE ARG 44 HE ARG 44 -12.916 7.836 3.455 311 HH11 ARG 44 HH11 ARG 44 -13.515 10.864 5.247 312 HH12 ARG 44 HH12 ARG 44 -11.988 10.618 6.099 313 HH21 ARG 44 HH21 ARG 44 -11.121 7.723 4.672 314 HH22 ARG 44 HH22 ARG 44 -10.827 8.944 5.893 315 H GLU 45 H GLU 45 -18.087 9.983 -1.060 316 HA GLU 45 HA GLU 45 -20.435 11.283 -0.116 317 HB2 GLU 45 HB2 GLU 45 -19.661 11.358 -2.435 318 HB3 GLU 45 HB3 GLU 45 -19.888 9.616 -2.590 319 HG2 GLU 45 HG2 GLU 45 -22.359 9.944 -2.263 320 HG3 GLU 45 HG3 GLU 45 -22.078 11.689 -2.177 321 H THR 46 H THR 46 -20.114 7.817 -1.119 322 HA THR 46 HA THR 46 -22.630 7.113 0.218 323 HB THR 46 HB THR 46 -20.656 5.189 -1.039 324 HG1 THR 46 HG1 THR 46 -21.005 6.605 -2.595 325 HG21 THR 46 HG21 THR 46 -22.759 3.974 -1.677 326 HG22 THR 46 HG22 THR 46 -23.684 5.128 -0.685 327 HG23 THR 46 HG23 THR 46 -22.506 4.028 0.060 328 H GLY 47 H GLY 47 -19.877 7.925 1.613 329 HA2 GLY 47 HA2 GLY 47 -18.968 7.600 3.674 330 HA3 GLY 47 HA3 GLY 47 -20.422 6.698 4.098 331 H ARG 48 H ARG 48 -18.240 5.496 1.488 332 HA ARG 48 HA ARG 48 -17.565 3.214 3.331 333 HB2 ARG 48 HB2 ARG 48 -17.525 1.798 1.302 334 HB3 ARG 48 HB3 ARG 48 -19.123 2.466 1.652 335 HG2 ARG 48 HG2 ARG 48 -19.018 4.031 -0.101 336 HG3 ARG 48 HG3 ARG 48 -17.267 3.870 -0.287 337 HD2 ARG 48 HD2 ARG 48 -18.406 2.838 -2.125 338 HD3 ARG 48 HD3 ARG 48 -17.460 1.676 -1.198 339 HE ARG 48 HE ARG 48 -19.671 0.990 -0.112 340 HH11 ARG 48 HH11 ARG 48 -19.794 2.249 -3.442 341 HH12 ARG 48 HH12 ARG 48 -21.423 1.642 -3.603 342 HH21 ARG 48 HH21 ARG 48 -21.741 0.381 -0.470 343 HH22 ARG 48 HH22 ARG 48 -22.420 0.633 -2.075 344 H SER 49 H SER 49 -15.615 2.186 3.180 345 HA SER 49 HA SER 49 -13.458 3.485 1.553 346 HB2 SER 49 HB2 SER 49 -13.277 2.020 4.211 347 HB3 SER 49 HB3 SER 49 -11.883 2.469 3.203 348 HG SER 49 HG SER 49 -13.769 4.105 4.535 349 H ARG 50 H ARG 50 -12.295 2.195 0.137 350 HA ARG 50 HA ARG 50 -13.132 -0.603 -0.341 351 HB2 ARG 50 HB2 ARG 50 -10.658 0.910 -1.318 352 HB3 ARG 50 HB3 ARG 50 -11.240 -0.634 -1.910 353 HG2 ARG 50 HG2 ARG 50 -12.739 2.007 -2.180 354 HG3 ARG 50 HG3 ARG 50 -11.738 1.288 -3.423 355 HD2 ARG 50 HD2 ARG 50 -14.262 0.071 -2.351 356 HD3 ARG 50 HD3 ARG 50 -14.044 0.976 -3.860 357 HE ARG 50 HE ARG 50 -12.555 -0.745 -4.702 358 HH11 ARG 50 HH11 ARG 50 -14.865 -1.795 -2.204 359 HH12 ARG 50 HH12 ARG 50 -14.688 -3.467 -2.736 360 HH21 ARG 50 HH21 ARG 50 -12.586 -2.993 -5.275 361 HH22 ARG 50 HH22 ARG 50 -13.594 -4.039 -4.296 362 H GLY 51 H GLY 51 -10.621 1.163 1.347 363 HA2 GLY 51 HA2 GLY 51 -9.505 0.583 3.295 364 HA3 GLY 51 HA3 GLY 51 -10.258 -0.987 3.334 365 H PHE 52 H PHE 52 -8.658 0.027 0.454 366 HA PHE 52 HA PHE 52 -6.086 -1.164 1.114 367 HB2 PHE 52 HB2 PHE 52 -5.943 -2.408 -0.979 368 HB3 PHE 52 HB3 PHE 52 -7.235 -3.009 0.029 369 HD1 PHE 52 HD1 PHE 52 -6.564 -0.862 -2.990 370 HD2 PHE 52 HD2 PHE 52 -9.404 -3.306 -0.843 371 HE1 PHE 52 HE1 PHE 52 -8.086 -0.827 -4.950 372 HE2 PHE 52 HE2 PHE 52 -10.882 -3.317 -2.826 373 HZ PHE 52 HZ PHE 52 -10.229 -2.069 -4.881 374 H GLY 53 H GLY 53 -4.569 -0.633 -0.777 375 HA2 GLY 53 HA2 GLY 53 -5.165 1.886 -2.191 376 HA3 GLY 53 HA3 GLY 53 -3.937 1.958 -0.915 377 H PHE 54 H PHE 54 -2.927 2.682 -3.042 378 HA PHE 54 HA PHE 54 -1.321 0.388 -4.086 379 HB2 PHE 54 HB2 PHE 54 -1.500 3.083 -5.424 380 HB3 PHE 54 HB3 PHE 54 -0.806 1.602 -6.060 381 HD1 PHE 54 HD1 PHE 54 -2.955 -0.410 -5.701 382 HD2 PHE 54 HD2 PHE 54 -3.219 3.748 -6.823 383 HE1 PHE 54 HE1 PHE 54 -5.122 -0.833 -6.833 384 HE2 PHE 54 HE2 PHE 54 -5.380 3.299 -7.963 385 HZ PHE 54 HZ PHE 54 -6.337 1.007 -7.961 386 H VAL 55 H VAL 55 0.916 0.612 -3.907 387 HA VAL 55 HA VAL 55 2.000 3.145 -2.827 388 HB VAL 55 HB VAL 55 1.655 1.727 -0.874 389 HG11 VAL 55 HG11 VAL 55 1.920 -0.522 -1.924 390 HG12 VAL 55 HG12 VAL 55 3.667 -0.218 -2.061 391 HG13 VAL 55 HG13 VAL 55 2.898 -0.303 -0.467 392 HG21 VAL 55 HG21 VAL 55 4.618 2.014 -1.504 393 HG22 VAL 55 HG22 VAL 55 3.548 3.319 -0.942 394 HG23 VAL 55 HG23 VAL 55 3.856 1.919 0.096 395 H SER 56 H SER 56 3.905 3.738 -3.641 396 HA SER 56 HA SER 56 5.133 1.946 -5.685 397 HB2 SER 56 HB2 SER 56 4.782 4.917 -6.093 398 HB3 SER 56 HB3 SER 56 5.289 3.694 -7.266 399 HG SER 56 HG SER 56 3.186 4.067 -7.705 400 H PHE 57 H PHE 57 7.270 2.103 -6.094 401 HA PHE 57 HA PHE 57 8.943 3.472 -4.023 402 HB2 PHE 57 HB2 PHE 57 9.557 0.957 -5.611 403 HB3 PHE 57 HB3 PHE 57 10.521 1.640 -4.325 404 HD1 PHE 57 HD2 PHE 57 7.261 -0.037 -5.076 405 HD2 PHE 57 HD1 PHE 57 10.139 1.036 -2.046 406 HE1 PHE 57 HE2 PHE 57 6.119 -1.529 -3.464 407 HE2 PHE 57 HE1 PHE 57 9.026 -0.502 -0.453 408 HZ PHE 57 HZ PHE 57 7.013 -1.792 -1.168 409 H SER 58 H SER 58 11.073 4.151 -4.631 410 HA SER 58 HA SER 58 11.527 4.572 -7.562 411 HB2 SER 58 HB2 SER 58 12.753 6.580 -7.069 412 HB3 SER 58 HB3 SER 58 11.110 6.678 -6.425 413 HG SER 58 HG SER 58 12.019 6.047 -4.352 414 H ASN 59 H ASN 59 12.453 2.438 -5.358 415 HA ASN 59 HA ASN 59 14.970 2.015 -6.837 416 HB2 ASN 59 HB2 ASN 59 14.884 1.036 -4.003 417 HB3 ASN 59 HB3 ASN 59 16.254 1.324 -5.058 418 HD21 ASN 59 HD21 ASN 59 16.571 3.803 -5.540 419 HD22 ASN 59 HD22 ASN 59 16.269 4.896 -4.173 420 H GLU 60 H GLU 60 15.188 0.011 -7.600 421 HA GLU 60 HA GLU 60 13.079 -1.809 -7.803 422 HB2 GLU 60 HB2 GLU 60 14.979 -1.515 -9.338 423 HB3 GLU 60 HB3 GLU 60 16.076 -2.195 -8.149 424 HG2 GLU 60 HG2 GLU 60 14.873 -4.373 -8.268 425 HG3 GLU 60 HG3 GLU 60 13.794 -3.691 -9.495 426 H GLN 61 H GLN 61 16.064 -2.309 -5.767 427 HA GLN 61 HA GLN 61 15.100 -4.835 -4.762 428 HB2 GLN 61 HB2 GLN 61 17.319 -2.956 -3.895 429 HB3 GLN 61 HB3 GLN 61 16.970 -4.471 -3.051 430 HG2 GLN 61 HG2 GLN 61 17.309 -5.764 -5.100 431 HG3 GLN 61 HG3 GLN 61 17.657 -4.299 -6.007 432 HE21 GLN 61 HE21 GLN 61 19.261 -6.858 -4.970 433 HE22 GLN 61 HE22 GLN 61 20.737 -6.121 -4.346 434 H ALA 62 H ALA 62 14.743 -1.525 -3.525 435 HA ALA 62 HA ALA 62 13.831 -2.147 -0.907 436 HB1 ALA 62 HB1 ALA 62 13.048 0.167 -2.738 437 HB2 ALA 62 HB2 ALA 62 12.831 0.099 -0.979 438 HB3 ALA 62 HB3 ALA 62 14.471 0.115 -1.662 439 H MET 63 H MET 63 12.043 -2.117 -4.014 440 HA MET 63 HA MET 63 9.419 -2.498 -2.937 441 HB2 MET 63 HB2 MET 63 9.826 -1.845 -5.262 442 HB3 MET 63 HB3 MET 63 10.632 -3.384 -5.586 443 HG2 MET 63 HG2 MET 63 8.571 -4.613 -5.179 444 HG3 MET 63 HG3 MET 63 7.725 -3.118 -4.753 445 HE1 MET 63 HE1 MET 63 6.859 -5.417 -6.899 446 HE2 MET 63 HE2 MET 63 5.831 -4.027 -6.475 447 HE3 MET 63 HE3 MET 63 6.170 -4.398 -8.182 448 H GLN 64 H GLN 64 11.973 -4.872 -3.788 449 HA GLN 64 HA GLN 64 10.197 -7.123 -3.177 450 HB2 GLN 64 HB2 GLN 64 13.173 -7.091 -3.805 451 HB3 GLN 64 HB3 GLN 64 12.110 -8.494 -3.796 452 HG2 GLN 64 HG2 GLN 64 12.023 -6.146 -5.734 453 HG3 GLN 64 HG3 GLN 64 12.528 -7.792 -6.079 454 HE21 GLN 64 HE21 GLN 64 10.408 -6.195 -7.430 455 HE22 GLN 64 HE22 GLN 64 8.994 -7.230 -7.285 456 H ASP 65 H ASP 65 12.872 -5.452 -1.493 457 HA ASP 65 HA ASP 65 13.016 -7.309 0.707 458 HB2 ASP 65 HB2 ASP 65 14.670 -5.434 -0.055 459 HB3 ASP 65 HB3 ASP 65 13.656 -4.348 0.893 460 H ALA 66 H ALA 66 10.950 -4.491 0.039 461 HA ALA 66 HA ALA 66 9.539 -4.590 2.576 462 HB1 ALA 66 HB1 ALA 66 9.548 -2.576 1.167 463 HB2 ALA 66 HB2 ALA 66 8.706 -3.449 -0.125 464 HB3 ALA 66 HB3 ALA 66 7.896 -3.161 1.433 465 H ILE 67 H ILE 67 8.492 -5.691 -0.708 466 HA ILE 67 HA ILE 67 6.151 -6.893 0.161 467 HB ILE 67 HB ILE 67 7.823 -7.343 -2.309 468 HG12 ILE 67 HG12 ILE 67 5.136 -5.947 -1.835 469 HG13 ILE 67 HG13 ILE 67 6.678 -5.114 -1.846 470 HG21 ILE 67 HG21 ILE 67 6.563 -9.419 -2.066 471 HG22 ILE 67 HG22 ILE 67 5.059 -8.514 -1.746 472 HG23 ILE 67 HG23 ILE 67 5.835 -8.460 -3.334 473 HD11 ILE 67 HD11 ILE 67 7.024 -5.974 -4.224 474 HD12 ILE 67 HD12 ILE 67 5.309 -6.449 -4.197 475 HD13 ILE 67 HD13 ILE 67 5.761 -4.752 -3.984 476 H GLU 68 H GLU 68 9.344 -8.596 0.103 477 HA GLU 68 HA GLU 68 8.084 -11.117 0.898 478 HB2 GLU 68 HB2 GLU 68 10.967 -10.173 0.971 479 HB3 GLU 68 HB3 GLU 68 10.439 -11.768 1.524 480 HG2 GLU 68 HG2 GLU 68 9.430 -12.200 -0.728 481 HG3 GLU 68 HG3 GLU 68 10.130 -10.681 -1.301 482 H GLY 69 H GLY 69 9.127 -8.286 2.725 483 HA2 GLY 69 HA2 GLY 69 8.919 -9.636 5.356 484 HA3 GLY 69 HA3 GLY 69 9.309 -7.950 5.008 485 H MET 70 H MET 70 6.927 -7.650 3.267 486 HA MET 70 HA MET 70 5.119 -6.607 5.239 487 HB2 MET 70 HB2 MET 70 5.246 -6.794 2.225 488 HB3 MET 70 HB3 MET 70 3.739 -6.252 2.949 489 HG2 MET 70 HG2 MET 70 6.455 -5.016 3.585 490 HG3 MET 70 HG3 MET 70 5.419 -4.439 2.289 491 HE1 MET 70 HE1 MET 70 5.298 -1.830 5.388 492 HE2 MET 70 HE2 MET 70 6.615 -3.004 5.167 493 HE3 MET 70 HE3 MET 70 5.971 -2.117 3.767 494 H ASN 71 H ASN 71 4.927 -9.510 3.168 495 HA ASN 71 HA ASN 71 2.144 -9.572 3.263 496 HB2 ASN 71 HB2 ASN 71 3.975 -10.744 1.705 497 HB3 ASN 71 HB3 ASN 71 3.654 -12.126 2.747 498 HD21 ASN 71 HD21 ASN 71 2.960 -12.979 0.576 499 HD22 ASN 71 HD22 ASN 71 1.308 -12.603 0.045 500 H GLY 72 H GLY 72 0.914 -9.712 4.931 501 HA2 GLY 72 HA2 GLY 72 -0.261 -10.802 6.623 502 HA3 GLY 72 HA3 GLY 72 1.026 -11.995 6.810 503 H LYS 73 H LYS 73 2.307 -8.771 6.812 504 HA LYS 73 HA LYS 73 2.952 -8.878 9.649 505 HB2 LYS 73 HB2 LYS 73 4.304 -7.742 7.707 506 HB3 LYS 73 HB3 LYS 73 3.187 -6.378 7.930 507 HG2 LYS 73 HG2 LYS 73 3.866 -6.355 10.381 508 HG3 LYS 73 HG3 LYS 73 5.070 -7.581 10.002 509 HD2 LYS 73 HD2 LYS 73 6.245 -6.062 8.538 510 HD3 LYS 73 HD3 LYS 73 4.963 -4.843 8.650 511 HE2 LYS 73 HE2 LYS 73 6.422 -5.865 11.119 512 HE3 LYS 73 HE3 LYS 73 7.096 -4.560 10.137 513 HZ1 LYS 73 HZ1 LYS 73 5.231 -3.195 10.601 514 HZ2 LYS 73 HZ2 LYS 73 5.755 -3.772 12.019 515 HZ3 LYS 73 HZ3 LYS 73 4.381 -4.393 11.354 516 H GLU 74 H GLU 74 2.264 -7.396 11.301 517 HA GLU 74 HA GLU 74 -0.340 -6.072 10.886 518 HB2 GLU 74 HB2 GLU 74 -0.108 -5.167 13.130 519 HB3 GLU 74 HB3 GLU 74 -0.043 -6.915 13.041 520 HG2 GLU 74 HG2 GLU 74 1.529 -6.440 14.639 521 HG3 GLU 74 HG3 GLU 74 2.504 -6.739 13.215 522 H LEU 75 H LEU 75 -0.656 -4.150 10.078 523 HA LEU 75 HA LEU 75 1.341 -1.983 10.362 524 HB2 LEU 75 HB2 LEU 75 0.813 -3.287 7.861 525 HB3 LEU 75 HB3 LEU 75 -0.142 -1.822 7.834 526 HG LEU 75 HG LEU 75 2.090 -0.633 8.608 527 HD11 LEU 75 HD11 LEU 75 3.149 -3.186 7.286 528 HD12 LEU 75 HD12 LEU 75 3.388 -2.720 8.978 529 HD13 LEU 75 HD13 LEU 75 4.113 -1.752 7.696 530 HD21 LEU 75 HD21 LEU 75 2.741 -0.281 6.301 531 HD22 LEU 75 HD22 LEU 75 0.974 -0.339 6.391 532 HD23 LEU 75 HD23 LEU 75 1.901 -1.740 5.786 533 H ASP 76 H ASP 76 0.300 -0.208 11.211 534 HA ASP 76 HA ASP 76 -1.279 0.893 12.336 535 HB2 ASP 76 HB2 ASP 76 -2.039 1.359 9.920 536 HB3 ASP 76 HB3 ASP 76 -3.357 0.226 10.223 537 H GLY 77 H GLY 77 -0.880 -1.934 12.816 538 HA2 GLY 77 HA2 GLY 77 -1.582 -3.526 14.335 539 HA3 GLY 77 HA3 GLY 77 -3.042 -2.593 14.637 540 H ARG 78 H ARG 78 -2.961 -2.954 11.373 541 HA ARG 78 HA ARG 78 -4.920 -5.196 11.350 542 HB2 ARG 78 HB2 ARG 78 -4.274 -2.919 9.427 543 HB3 ARG 78 HB3 ARG 78 -5.463 -4.164 9.087 544 HG2 ARG 78 HG2 ARG 78 -5.732 -2.593 11.662 545 HG3 ARG 78 HG3 ARG 78 -6.133 -1.791 10.152 546 HD2 ARG 78 HD2 ARG 78 -7.277 -4.536 10.700 547 HD3 ARG 78 HD3 ARG 78 -7.962 -3.118 11.516 548 HE ARG 78 HE ARG 78 -7.672 -2.647 8.677 549 HH11 ARG 78 HH11 ARG 78 -9.750 -4.525 10.774 550 HH12 ARG 78 HH12 ARG 78 -11.203 -4.053 9.935 551 HH21 ARG 78 HH21 ARG 78 -9.558 -2.013 7.688 552 HH22 ARG 78 HH22 ARG 78 -11.100 -2.619 8.232 553 H SER 79 H SER 79 -4.731 -6.913 9.901 554 HA SER 79 HA SER 79 -2.000 -7.684 9.265 555 HB2 SER 79 HB2 SER 79 -3.919 -9.212 10.047 556 HB3 SER 79 HB3 SER 79 -4.500 -9.153 8.372 557 HG SER 79 HG SER 79 -2.032 -10.066 9.420 558 H ILE 80 H ILE 80 -0.931 -7.057 7.472 559 HA ILE 80 HA ILE 80 -2.489 -6.044 5.188 560 HB ILE 80 HB ILE 80 -0.805 -4.628 6.360 561 HG12 ILE 80 HG12 ILE 80 -0.349 -4.948 3.358 562 HG13 ILE 80 HG13 ILE 80 -1.774 -4.194 4.072 563 HG21 ILE 80 HG21 ILE 80 1.009 -6.409 6.483 564 HG22 ILE 80 HG22 ILE 80 1.273 -6.171 4.753 565 HG23 ILE 80 HG23 ILE 80 1.551 -4.839 5.890 566 HD11 ILE 80 HD11 ILE 80 -0.242 -2.564 5.249 567 HD12 ILE 80 HD12 ILE 80 1.087 -3.219 4.246 568 HD13 ILE 80 HD13 ILE 80 -0.302 -2.423 3.492 569 H VAL 81 H VAL 81 -2.155 -6.535 3.044 570 HA VAL 81 HA VAL 81 -0.609 -9.019 2.433 571 HB VAL 81 HB VAL 81 -3.476 -8.426 1.632 572 HG11 VAL 81 HG11 VAL 81 -3.368 -10.520 0.295 573 HG12 VAL 81 HG12 VAL 81 -2.341 -9.260 -0.386 574 HG13 VAL 81 HG13 VAL 81 -1.614 -10.592 0.547 575 HG21 VAL 81 HG21 VAL 81 -3.124 -9.592 3.819 576 HG22 VAL 81 HG22 VAL 81 -3.881 -10.657 2.627 577 HG23 VAL 81 HG23 VAL 81 -2.149 -10.815 2.995 578 H VAL 82 H VAL 82 0.508 -8.974 0.581 579 HA VAL 82 HA VAL 82 0.516 -6.383 -0.909 580 HB VAL 82 HB VAL 82 2.970 -6.710 -1.159 581 HG11 VAL 82 HG11 VAL 82 3.355 -5.492 0.880 582 HG12 VAL 82 HG12 VAL 82 1.780 -5.025 0.256 583 HG13 VAL 82 HG13 VAL 82 1.866 -6.158 1.626 584 HG21 VAL 82 HG21 VAL 82 3.121 -9.065 -0.277 585 HG22 VAL 82 HG22 VAL 82 4.153 -7.912 0.571 586 HG23 VAL 82 HG23 VAL 82 2.643 -8.447 1.318 587 H ASN 83 H ASN 83 0.375 -6.492 -3.092 588 HA ASN 83 HA ASN 83 1.503 -8.762 -4.557 589 HB2 ASN 83 HB2 ASN 83 -0.586 -9.168 -5.866 590 HB3 ASN 83 HB3 ASN 83 -0.631 -9.748 -4.197 591 HD21 ASN 83 HD21 ASN 83 -2.342 -7.879 -6.525 592 HD22 ASN 83 HD22 ASN 83 -3.462 -7.160 -5.378 593 H GLU 84 H GLU 84 1.895 -8.402 -6.691 594 HA GLU 84 HA GLU 84 2.697 -5.832 -7.430 595 HB2 GLU 84 HB2 GLU 84 3.296 -6.830 -9.553 596 HB3 GLU 84 HB3 GLU 84 3.638 -7.931 -8.239 597 HG2 GLU 84 HG2 GLU 84 2.710 -9.414 -9.697 598 HG3 GLU 84 HG3 GLU 84 1.272 -8.990 -8.772 599 H ALA 85 H ALA 85 1.976 -4.205 -8.770 600 HA ALA 85 HA ALA 85 -0.830 -4.404 -9.776 601 HB1 ALA 85 HB1 ALA 85 -0.460 -2.729 -7.993 602 HB2 ALA 85 HB2 ALA 85 0.771 -1.947 -9.018 603 HB3 ALA 85 HB3 ALA 85 -0.925 -1.982 -9.532 604 H GLN 86 H GLN 86 2.241 -4.656 -10.978 605 HA GLN 86 HA GLN 86 2.407 -2.837 -13.181 606 HB2 GLN 86 HB2 GLN 86 3.550 -5.609 -12.628 607 HB3 GLN 86 HB3 GLN 86 3.991 -4.670 -14.060 608 HG2 GLN 86 HG2 GLN 86 5.023 -2.961 -12.798 609 HG3 GLN 86 HG3 GLN 86 4.262 -3.461 -11.291 610 HE21 GLN 86 HE21 GLN 86 6.645 -3.157 -10.728 611 HE22 GLN 86 HE22 GLN 86 7.487 -4.725 -10.615 612 H SER 87 H SER 87 0.777 -5.995 -12.798 613 HA SER 87 HA SER 87 0.075 -6.291 -15.583 614 HB2 SER 87 HB2 SER 87 -1.301 -8.139 -14.786 615 HB3 SER 87 HB3 SER 87 0.317 -8.156 -14.060 616 HG SER 87 HG SER 87 -0.531 -8.027 -12.196 617 H ARG 88 H ARG 88 -1.292 -4.215 -13.200 618 HA ARG 88 HA ARG 88 -3.877 -4.057 -14.725 619 HB2 ARG 88 HB2 ARG 88 -3.463 -3.942 -11.718 620 HB3 ARG 88 HB3 ARG 88 -4.973 -3.530 -12.547 621 HG2 ARG 88 HG2 ARG 88 -5.080 -5.818 -13.523 622 HG3 ARG 88 HG3 ARG 88 -3.580 -6.244 -12.704 623 HD2 ARG 88 HD2 ARG 88 -5.431 -7.172 -11.480 624 HD3 ARG 88 HD3 ARG 88 -4.635 -5.924 -10.512 625 HE ARG 88 HE ARG 88 -6.987 -5.069 -12.103 626 HH11 ARG 88 HH11 ARG 88 -6.177 -6.523 -9.018 627 HH12 ARG 88 HH12 ARG 88 -7.488 -5.714 -8.190 628 HH21 ARG 88 HH21 ARG 88 -8.523 -3.945 -10.966 629 HH22 ARG 88 HH22 ARG 88 -8.706 -4.213 -9.246 630 H GLY 89 H GLY 89 -1.537 -1.995 -12.883 631 HA2 GLY 89 HA2 GLY 89 -2.534 0.353 -14.357 632 HA3 GLY 89 HA3 GLY 89 -3.002 0.299 -12.666 633 H TYR 90 H TYR 90 -1.648 2.402 -13.632 634 HA TYR 90 HA TYR 90 1.224 2.158 -12.813 635 HB2 TYR 90 HB2 TYR 90 0.195 3.357 -15.415 636 HB3 TYR 90 HB3 TYR 90 1.874 3.145 -14.953 637 HD1 TYR 90 HD1 TYR 90 2.217 0.444 -14.105 638 HD2 TYR 90 HD2 TYR 90 -0.394 1.951 -17.188 639 HE1 TYR 90 HE1 TYR 90 2.241 -1.768 -15.212 640 HE2 TYR 90 HE2 TYR 90 -0.439 -0.306 -18.243 641 HH TYR 90 HH TYR 90 1.176 -3.093 -16.710 642 H GLY 91 H GLY 91 2.385 4.314 -12.873 643 HA2 GLY 91 HA2 GLY 91 0.874 6.564 -11.769 644 HA3 GLY 91 HA3 GLY 91 2.580 6.527 -12.229 645 H GLY 92 H GLY 92 1.086 5.404 -14.910 646 HA2 GLY 92 HA2 GLY 92 0.762 8.041 -16.278 647 HA3 GLY 92 HA3 GLY 92 0.965 6.474 -17.051 Start of MODEL 18 1 H1 MET 1 H1 MET 1 12.916 -10.881 -11.475 2 H2 MET 1 H2 MET 1 14.253 -9.929 -11.638 3 H3 MET 1 H3 MET 1 12.856 -9.535 -12.398 4 HA MET 1 HA MET 1 11.712 -9.191 -10.369 5 HB2 MET 1 HB2 MET 1 12.722 -9.208 -8.251 6 HB3 MET 1 HB3 MET 1 12.960 -10.791 -9.001 7 HG2 MET 1 HG2 MET 1 15.018 -10.437 -8.032 8 HG3 MET 1 HG3 MET 1 15.327 -9.820 -9.654 9 HE1 MET 1 HE1 MET 1 17.457 -8.475 -8.989 10 HE2 MET 1 HE2 MET 1 17.576 -7.469 -7.528 11 HE3 MET 1 HE3 MET 1 17.317 -9.221 -7.378 12 H ALA 2 H ALA 2 14.838 -7.882 -11.557 13 HA ALA 2 HA ALA 2 14.410 -5.384 -10.077 14 HB1 ALA 2 HB1 ALA 2 16.481 -4.704 -11.236 15 HB2 ALA 2 HB2 ALA 2 16.667 -6.263 -10.413 16 HB3 ALA 2 HB3 ALA 2 16.454 -6.211 -12.177 17 H GLU 3 H GLU 3 12.335 -4.940 -10.837 18 HA GLU 3 HA GLU 3 11.476 -4.516 -13.434 19 HB2 GLU 3 HB2 GLU 3 10.559 -2.944 -11.024 20 HB3 GLU 3 HB3 GLU 3 9.653 -3.189 -12.510 21 HG2 GLU 3 HG2 GLU 3 10.341 -5.256 -10.383 22 HG3 GLU 3 HG3 GLU 3 8.763 -4.572 -10.729 23 H SER 4 H SER 4 12.972 -3.576 -14.667 24 HA SER 4 HA SER 4 13.931 -0.887 -14.546 25 HB2 SER 4 HB2 SER 4 14.340 -1.071 -16.923 26 HB3 SER 4 HB3 SER 4 14.761 -2.604 -16.140 27 HG SER 4 HG SER 4 12.796 -3.475 -16.832 28 H ASP 5 H ASP 5 13.193 1.028 -15.884 29 HA ASP 5 HA ASP 5 10.442 1.495 -15.218 30 HB2 ASP 5 HB2 ASP 5 12.724 3.127 -16.155 31 HB3 ASP 5 HB3 ASP 5 11.142 3.722 -16.647 32 H GLY 6 H GLY 6 11.307 -0.208 -17.895 33 HA2 GLY 6 HA2 GLY 6 9.011 0.648 -19.568 34 HA3 GLY 6 HA3 GLY 6 9.948 -0.841 -19.720 35 H ALA 7 H ALA 7 9.691 -1.423 -16.833 36 HA ALA 7 HA ALA 7 7.044 -2.744 -16.782 37 HB1 ALA 7 HB1 ALA 7 8.201 -4.349 -15.376 38 HB2 ALA 7 HB2 ALA 7 9.185 -4.062 -16.802 39 HB3 ALA 7 HB3 ALA 7 9.625 -3.307 -15.255 40 H GLU 8 H GLU 8 6.864 -3.254 -14.030 41 HA GLU 8 HA GLU 8 6.450 -0.524 -12.879 42 HB2 GLU 8 HB2 GLU 8 4.482 -1.158 -14.071 43 HB3 GLU 8 HB3 GLU 8 4.401 -2.727 -13.261 44 HG2 GLU 8 HG2 GLU 8 3.606 -1.831 -11.280 45 HG3 GLU 8 HG3 GLU 8 4.467 -0.303 -11.505 46 H TYR 9 H TYR 9 7.774 -0.456 -11.192 47 HA TYR 9 HA TYR 9 7.461 -2.468 -9.020 48 HB2 TYR 9 HB2 TYR 9 9.213 -1.109 -7.871 49 HB3 TYR 9 HB3 TYR 9 9.719 -1.973 -9.289 50 HD1 TYR 9 HD1 TYR 9 9.855 -0.626 -11.558 51 HD2 TYR 9 HD2 TYR 9 9.811 1.170 -7.632 52 HE1 TYR 9 HE1 TYR 9 10.679 1.486 -12.521 53 HE2 TYR 9 HE2 TYR 9 10.744 3.270 -8.608 54 HH TYR 9 HH TYR 9 11.433 3.568 -12.098 55 H ARG 10 H ARG 10 5.248 -1.937 -9.037 56 HA ARG 10 HA ARG 10 4.535 -0.031 -6.881 57 HB2 ARG 10 HB2 ARG 10 4.001 1.193 -8.940 58 HB3 ARG 10 HB3 ARG 10 3.146 -0.212 -9.584 59 HG2 ARG 10 HG2 ARG 10 1.406 -0.019 -7.890 60 HG3 ARG 10 HG3 ARG 10 2.230 1.362 -7.154 61 HD2 ARG 10 HD2 ARG 10 1.338 1.333 -10.081 62 HD3 ARG 10 HD3 ARG 10 0.271 1.817 -8.771 63 HE ARG 10 HE ARG 10 1.647 3.673 -8.241 64 HH11 ARG 10 HH11 ARG 10 2.614 2.285 -11.360 65 HH12 ARG 10 HH12 ARG 10 3.414 3.768 -11.796 66 HH21 ARG 10 HH21 ARG 10 2.858 5.392 -8.863 67 HH22 ARG 10 HH22 ARG 10 3.761 5.326 -10.367 68 H CYS 11 H CYS 11 2.926 -0.907 -5.543 69 HA CYS 11 HA CYS 11 1.789 -3.554 -6.322 70 HB2 CYS 11 HB2 CYS 11 2.453 -4.461 -4.099 71 HB3 CYS 11 HB3 CYS 11 3.803 -4.121 -5.182 72 HG CYS 11 HG CYS 11 2.641 -2.044 -2.875 73 H PHE 12 H PHE 12 0.036 -4.280 -5.236 74 HA PHE 12 HA PHE 12 -1.840 -2.262 -4.210 75 HB2 PHE 12 HB2 PHE 12 -2.527 -3.946 -5.877 76 HB3 PHE 12 HB3 PHE 12 -2.032 -5.237 -4.796 77 HD1 PHE 12 HD1 PHE 12 -4.538 -2.522 -5.321 78 HD2 PHE 12 HD2 PHE 12 -3.452 -5.993 -2.994 79 HE1 PHE 12 HE1 PHE 12 -6.855 -2.672 -4.461 80 HE2 PHE 12 HE2 PHE 12 -5.770 -6.120 -2.117 81 HZ PHE 12 HZ PHE 12 -7.479 -4.483 -2.863 82 H VAL 13 H VAL 13 -2.640 -2.248 -2.159 83 HA VAL 13 HA VAL 13 -1.509 -4.047 -0.084 84 HB VAL 13 HB VAL 13 -1.368 -1.881 1.367 85 HG11 VAL 13 HG11 VAL 13 0.489 -3.365 0.922 86 HG12 VAL 13 HG12 VAL 13 0.774 -2.599 -0.660 87 HG13 VAL 13 HG13 VAL 13 1.016 -1.678 0.846 88 HG21 VAL 13 HG21 VAL 13 -0.494 0.083 0.207 89 HG22 VAL 13 HG22 VAL 13 -0.765 -0.664 -1.370 90 HG23 VAL 13 HG23 VAL 13 -2.149 -0.244 -0.333 91 H GLY 14 H GLY 14 -3.167 -4.979 0.832 92 HA2 GLY 14 HA2 GLY 14 -5.732 -3.514 1.347 93 HA3 GLY 14 HA3 GLY 14 -5.469 -5.249 1.514 94 H SER 15 H SER 15 -6.187 -2.779 3.358 95 HA SER 15 HA SER 15 -5.411 -3.890 5.857 96 HB2 SER 15 HB2 SER 15 -3.734 -1.478 4.998 97 HB3 SER 15 HB3 SER 15 -4.003 -1.886 6.703 98 HG SER 15 HG SER 15 -3.123 -3.852 4.926 99 H LEU 16 H LEU 16 -6.375 -1.036 4.031 100 HA LEU 16 HA LEU 16 -6.407 0.658 6.290 101 HB2 LEU 16 HB2 LEU 16 -7.613 1.259 3.578 102 HB3 LEU 16 HB3 LEU 16 -7.091 2.418 4.750 103 HG LEU 16 HG LEU 16 -5.402 0.533 3.062 104 HD11 LEU 16 HD11 LEU 16 -6.473 2.625 2.134 105 HD12 LEU 16 HD12 LEU 16 -4.698 2.538 1.973 106 HD13 LEU 16 HD13 LEU 16 -5.439 3.570 3.219 107 HD21 LEU 16 HD21 LEU 16 -3.407 1.497 3.972 108 HD22 LEU 16 HD22 LEU 16 -4.316 0.834 5.328 109 HD23 LEU 16 HD23 LEU 16 -4.312 2.593 5.020 110 H SER 17 H SER 17 -8.144 2.213 6.694 111 HA SER 17 HA SER 17 -10.825 1.045 7.112 112 HB2 SER 17 HB2 SER 17 -10.651 0.951 9.507 113 HB3 SER 17 HB3 SER 17 -9.288 0.017 8.875 114 HG SER 17 HG SER 17 -7.915 1.674 9.373 115 H TRP 18 H TRP 18 -12.056 2.630 8.693 116 HA TRP 18 HA TRP 18 -12.064 5.291 7.905 117 HB2 TRP 18 HB2 TRP 18 -13.217 5.771 9.958 118 HB3 TRP 18 HB3 TRP 18 -13.736 4.201 9.381 119 HD1 TRP 18 HD1 TRP 18 -13.192 2.095 10.900 120 HE1 TRP 18 HE1 TRP 18 -12.410 1.810 13.334 121 HE3 TRP 18 HE3 TRP 18 -11.700 6.908 11.836 122 HZ2 TRP 18 HZ2 TRP 18 -11.190 3.437 15.378 123 HZ3 TRP 18 HZ3 TRP 18 -10.673 7.494 14.018 124 HH2 TRP 18 HH2 TRP 18 -10.397 5.770 15.786 125 H ASN 19 H ASN 19 -9.753 3.843 10.273 126 HA ASN 19 HA ASN 19 -8.693 6.515 10.949 127 HB2 ASN 19 HB2 ASN 19 -9.154 4.646 12.634 128 HB3 ASN 19 HB3 ASN 19 -7.759 3.808 11.965 129 HD21 ASN 19 HD21 ASN 19 -5.872 4.210 13.084 130 HD22 ASN 19 HD22 ASN 19 -5.600 5.652 14.056 131 H THR 20 H THR 20 -7.758 3.894 8.825 132 HA THR 20 HA THR 20 -4.935 4.720 8.748 133 HB THR 20 HB THR 20 -5.785 2.780 6.719 134 HG1 THR 20 HG1 THR 20 -5.976 1.924 9.426 135 HG21 THR 20 HG21 THR 20 -3.699 2.791 8.923 136 HG22 THR 20 HG22 THR 20 -3.438 3.094 7.202 137 HG23 THR 20 HG23 THR 20 -3.907 1.471 7.752 138 H ASP 21 H ASP 21 -3.786 5.467 6.893 139 HA ASP 21 HA ASP 21 -5.299 6.000 4.453 140 HB2 ASP 21 HB2 ASP 21 -4.975 8.347 4.418 141 HB3 ASP 21 HB3 ASP 21 -5.645 7.974 5.998 142 H ASP 22 H ASP 22 -3.646 7.505 2.895 143 HA ASP 22 HA ASP 22 -1.590 5.652 2.186 144 HB2 ASP 22 HB2 ASP 22 -0.785 7.345 0.616 145 HB3 ASP 22 HB3 ASP 22 -2.450 6.993 0.358 146 H ARG 23 H ARG 23 -1.498 8.631 4.150 147 HA ARG 23 HA ARG 23 1.398 8.677 4.326 148 HB2 ARG 23 HB2 ARG 23 -0.458 10.559 4.832 149 HB3 ARG 23 HB3 ARG 23 -0.360 9.926 6.438 150 HG2 ARG 23 HG2 ARG 23 1.260 11.486 6.653 151 HG3 ARG 23 HG3 ARG 23 2.309 10.224 6.008 152 HD2 ARG 23 HD2 ARG 23 0.917 12.436 4.453 153 HD3 ARG 23 HD3 ARG 23 2.630 12.423 4.888 154 HE ARG 23 HE ARG 23 3.069 10.719 3.275 155 HH11 ARG 23 HH11 ARG 23 -0.241 11.928 2.885 156 HH12 ARG 23 HH12 ARG 23 -0.521 10.839 1.537 157 HH21 ARG 23 HH21 ARG 23 2.624 9.549 1.479 158 HH22 ARG 23 HH22 ARG 23 1.074 9.751 0.675 159 H GLY 24 H GLY 24 -1.046 6.869 6.065 160 HA2 GLY 24 HA2 GLY 24 0.683 6.008 8.233 161 HA3 GLY 24 HA3 GLY 24 -0.847 5.268 7.727 162 H LEU 25 H LEU 25 -0.268 4.541 5.111 163 HA LEU 25 HA LEU 25 1.437 2.226 5.220 164 HB2 LEU 25 HB2 LEU 25 0.465 3.942 2.892 165 HB3 LEU 25 HB3 LEU 25 1.351 2.439 2.675 166 HG LEU 25 HG LEU 25 -1.305 2.568 4.155 167 HD11 LEU 25 HD11 LEU 25 -1.727 3.342 1.916 168 HD12 LEU 25 HD12 LEU 25 -2.214 1.643 1.962 169 HD13 LEU 25 HD13 LEU 25 -0.674 2.106 1.212 170 HD21 LEU 25 HD21 LEU 25 0.249 0.270 2.868 171 HD22 LEU 25 HD22 LEU 25 -1.351 0.140 3.623 172 HD23 LEU 25 HD23 LEU 25 0.053 0.546 4.614 173 H GLU 26 H GLU 26 2.083 5.524 3.894 174 HA GLU 26 HA GLU 26 4.717 5.012 3.042 175 HB2 GLU 26 HB2 GLU 26 3.310 6.993 2.488 176 HB3 GLU 26 HB3 GLU 26 3.594 7.635 4.114 177 HG2 GLU 26 HG2 GLU 26 6.044 7.674 3.648 178 HG3 GLU 26 HG3 GLU 26 5.743 7.031 2.037 179 H ALA 27 H ALA 27 3.717 6.340 6.268 180 HA ALA 27 HA ALA 27 6.420 6.463 7.214 181 HB1 ALA 27 HB1 ALA 27 5.311 6.888 9.395 182 HB2 ALA 27 HB2 ALA 27 4.583 7.850 8.090 183 HB3 ALA 27 HB3 ALA 27 3.754 6.396 8.697 184 H ALA 28 H ALA 28 4.162 3.762 7.144 185 HA ALA 28 HA ALA 28 5.613 2.097 9.035 186 HB1 ALA 28 HB1 ALA 28 3.727 1.432 6.733 187 HB2 ALA 28 HB2 ALA 28 4.367 0.266 7.900 188 HB3 ALA 28 HB3 ALA 28 3.311 1.582 8.452 189 H PHE 29 H PHE 29 5.804 2.545 5.461 190 HA PHE 29 HA PHE 29 8.029 0.602 5.432 191 HB2 PHE 29 HB2 PHE 29 6.107 1.467 3.288 192 HB3 PHE 29 HB3 PHE 29 7.494 0.413 3.006 193 HD1 PHE 29 HD2 PHE 29 7.710 -1.784 4.193 194 HD2 PHE 29 HD1 PHE 29 4.104 0.558 4.394 195 HE1 PHE 29 HE2 PHE 29 6.522 -3.708 5.201 196 HE2 PHE 29 HE1 PHE 29 2.904 -1.378 5.374 197 HZ PHE 29 HZ PHE 29 4.115 -3.512 5.791 198 H SER 30 H SER 30 8.004 3.978 5.355 199 HA SER 30 HA SER 30 9.763 4.627 3.355 200 HB2 SER 30 HB2 SER 30 10.296 6.629 4.581 201 HB3 SER 30 HB3 SER 30 8.588 6.242 4.821 202 HG SER 30 HG SER 30 10.267 6.757 6.671 203 H SER 31 H SER 31 10.815 2.710 6.076 204 HA SER 31 HA SER 31 13.675 3.378 5.645 205 HB2 SER 31 HB2 SER 31 12.585 2.968 7.949 206 HB3 SER 31 HB3 SER 31 12.660 1.250 7.509 207 HG SER 31 HG SER 31 14.767 3.127 7.845 208 H PHE 32 H PHE 32 11.402 1.135 4.325 209 HA PHE 32 HA PHE 32 13.449 -0.822 3.475 210 HB2 PHE 32 HB2 PHE 32 10.576 -0.390 2.587 211 HB3 PHE 32 HB3 PHE 32 11.647 -1.635 1.971 212 HD1 PHE 32 HD2 PHE 32 9.853 -0.471 5.013 213 HD2 PHE 32 HD1 PHE 32 12.099 -3.670 3.208 214 HE1 PHE 32 HE2 PHE 32 9.107 -2.003 6.821 215 HE2 PHE 32 HE1 PHE 32 11.394 -5.185 5.049 216 HZ PHE 32 HZ PHE 32 9.895 -4.360 6.848 217 H GLY 33 H GLY 33 11.943 2.154 2.245 218 HA2 GLY 33 HA2 GLY 33 14.255 2.952 0.908 219 HA3 GLY 33 HA3 GLY 33 13.214 2.245 -0.328 220 H GLU 34 H GLU 34 13.902 4.822 -0.570 221 HA GLU 34 HA GLU 34 11.961 6.695 0.420 222 HB2 GLU 34 HB2 GLU 34 14.161 7.354 -0.479 223 HB3 GLU 34 HB3 GLU 34 13.705 6.768 -2.070 224 HG2 GLU 34 HG2 GLU 34 13.559 9.175 -2.001 225 HG3 GLU 34 HG3 GLU 34 11.953 8.518 -2.235 226 H ILE 35 H ILE 35 10.219 7.638 -0.562 227 HA ILE 35 HA ILE 35 8.623 5.671 -2.077 228 HB ILE 35 HB ILE 35 8.123 6.593 0.314 229 HG12 ILE 35 HG12 ILE 35 5.616 6.544 -0.153 230 HG13 ILE 35 HG13 ILE 35 6.009 6.307 -1.850 231 HG21 ILE 35 HG21 ILE 35 6.908 8.594 0.526 232 HG22 ILE 35 HG22 ILE 35 8.318 9.013 -0.434 233 HG23 ILE 35 HG23 ILE 35 6.727 8.806 -1.215 234 HD11 ILE 35 HD11 ILE 35 6.974 4.523 0.450 235 HD12 ILE 35 HD12 ILE 35 5.591 4.180 -0.614 236 HD13 ILE 35 HD13 ILE 35 7.225 4.216 -1.285 237 H LEU 36 H LEU 36 7.338 6.150 -3.784 238 HA LEU 36 HA LEU 36 7.952 8.653 -5.272 239 HB2 LEU 36 HB2 LEU 36 8.633 6.415 -6.230 240 HB3 LEU 36 HB3 LEU 36 6.927 5.998 -6.327 241 HG LEU 36 HG LEU 36 6.612 8.040 -7.834 242 HD11 LEU 36 HD11 LEU 36 8.668 9.286 -7.218 243 HD12 LEU 36 HD12 LEU 36 8.654 8.907 -8.937 244 HD13 LEU 36 HD13 LEU 36 9.666 7.953 -7.838 245 HD21 LEU 36 HD21 LEU 36 6.785 5.767 -8.744 246 HD22 LEU 36 HD22 LEU 36 8.559 5.882 -8.753 247 HD23 LEU 36 HD23 LEU 36 7.585 6.928 -9.809 248 H ASP 37 H ASP 37 5.215 6.528 -4.310 249 HA ASP 37 HA ASP 37 3.490 8.707 -3.848 250 HB2 ASP 37 HB2 ASP 37 1.989 8.801 -5.565 251 HB3 ASP 37 HB3 ASP 37 3.436 8.455 -6.499 252 H ALA 38 H ALA 38 1.268 7.963 -3.027 253 HA ALA 38 HA ALA 38 0.806 5.098 -3.125 254 HB1 ALA 38 HB1 ALA 38 1.898 5.244 -0.971 255 HB2 ALA 38 HB2 ALA 38 0.926 6.639 -0.504 256 HB3 ALA 38 HB3 ALA 38 0.158 5.037 -0.688 257 H LYS 39 H LYS 39 -1.323 4.559 -3.033 258 HA LYS 39 HA LYS 39 -3.357 6.707 -3.474 259 HB2 LYS 39 HB2 LYS 39 -3.050 5.301 -5.420 260 HB3 LYS 39 HB3 LYS 39 -3.087 3.857 -4.452 261 HG2 LYS 39 HG2 LYS 39 -5.092 3.892 -5.640 262 HG3 LYS 39 HG3 LYS 39 -5.586 4.252 -3.990 263 HD2 LYS 39 HD2 LYS 39 -5.805 6.648 -4.566 264 HD3 LYS 39 HD3 LYS 39 -5.074 6.353 -6.161 265 HE2 LYS 39 HE2 LYS 39 -6.957 4.719 -6.632 266 HE3 LYS 39 HE3 LYS 39 -7.750 5.287 -5.158 267 HZ1 LYS 39 HZ1 LYS 39 -7.800 7.531 -6.151 268 HZ2 LYS 39 HZ2 LYS 39 -8.492 6.460 -7.199 269 HZ3 LYS 39 HZ3 LYS 39 -6.972 7.015 -7.446 270 H ILE 40 H ILE 40 -5.035 6.842 -2.116 271 HA ILE 40 HA ILE 40 -5.850 4.439 -0.552 272 HB ILE 40 HB ILE 40 -4.792 5.835 1.025 273 HG12 ILE 40 HG12 ILE 40 -7.099 4.766 1.505 274 HG13 ILE 40 HG13 ILE 40 -6.334 5.833 2.660 275 HG21 ILE 40 HG21 ILE 40 -6.466 8.190 0.074 276 HG22 ILE 40 HG22 ILE 40 -5.475 8.170 1.548 277 HG23 ILE 40 HG23 ILE 40 -4.710 8.004 -0.031 278 HD11 ILE 40 HD11 ILE 40 -8.785 6.202 2.461 279 HD12 ILE 40 HD12 ILE 40 -7.832 7.653 2.131 280 HD13 ILE 40 HD13 ILE 40 -8.566 6.747 0.795 281 H ILE 41 H ILE 41 -8.011 3.938 -0.699 282 HA ILE 41 HA ILE 41 -9.769 5.984 -1.923 283 HB ILE 41 HB ILE 41 -8.855 4.521 -3.614 284 HG12 ILE 41 HG12 ILE 41 -10.908 3.924 -4.807 285 HG13 ILE 41 HG13 ILE 41 -11.865 4.270 -3.366 286 HG21 ILE 41 HG21 ILE 41 -9.153 2.385 -1.948 287 HG22 ILE 41 HG22 ILE 41 -10.540 2.166 -3.037 288 HG23 ILE 41 HG23 ILE 41 -8.870 2.326 -3.685 289 HD11 ILE 41 HD11 ILE 41 -11.175 6.643 -3.467 290 HD12 ILE 41 HD12 ILE 41 -10.109 6.283 -4.846 291 HD13 ILE 41 HD13 ILE 41 -11.868 6.131 -5.011 292 H ASN 42 H ASN 42 -11.795 6.103 -1.558 293 HA ASN 42 HA ASN 42 -13.336 4.502 0.316 294 HB2 ASN 42 HB2 ASN 42 -13.593 6.293 1.962 295 HB3 ASN 42 HB3 ASN 42 -11.896 5.863 1.829 296 HD21 ASN 42 HD21 ASN 42 -14.294 8.431 1.021 297 HD22 ASN 42 HD22 ASN 42 -13.031 9.657 0.965 298 H ASP 43 H ASP 43 -15.558 5.377 0.475 299 HA ASP 43 HA ASP 43 -16.662 6.395 -1.941 300 HB2 ASP 43 HB2 ASP 43 -17.901 5.070 -0.251 301 HB3 ASP 43 HB3 ASP 43 -17.775 6.427 0.889 302 H ARG 44 H ARG 44 -16.746 8.389 -2.755 303 HA ARG 44 HA ARG 44 -15.720 10.701 -1.366 304 HB2 ARG 44 HB2 ARG 44 -16.212 11.926 -3.358 305 HB3 ARG 44 HB3 ARG 44 -15.537 10.353 -3.774 306 HG2 ARG 44 HG2 ARG 44 -18.008 9.591 -4.115 307 HG3 ARG 44 HG3 ARG 44 -18.410 11.306 -4.067 308 HD2 ARG 44 HD2 ARG 44 -16.400 10.031 -5.987 309 HD3 ARG 44 HD3 ARG 44 -18.085 10.359 -6.369 310 HE ARG 44 HE ARG 44 -17.702 12.712 -6.317 311 HH11 ARG 44 HH11 ARG 44 -14.562 11.023 -6.077 312 HH12 ARG 44 HH12 ARG 44 -13.746 12.518 -6.434 313 HH21 ARG 44 HH21 ARG 44 -16.584 14.336 -6.996 314 HH22 ARG 44 HH22 ARG 44 -14.855 14.176 -7.317 315 H GLU 45 H GLU 45 -18.974 9.423 -1.564 316 HA GLU 45 HA GLU 45 -20.266 11.882 -0.715 317 HB2 GLU 45 HB2 GLU 45 -21.380 10.199 -2.120 318 HB3 GLU 45 HB3 GLU 45 -21.191 9.002 -0.852 319 HG2 GLU 45 HG2 GLU 45 -23.438 9.673 -0.824 320 HG3 GLU 45 HG3 GLU 45 -22.724 10.385 0.607 321 H THR 46 H THR 46 -19.576 8.793 0.974 322 HA THR 46 HA THR 46 -20.326 10.059 3.580 323 HB THR 46 HB THR 46 -21.101 7.930 4.296 324 HG1 THR 46 HG1 THR 46 -20.338 6.910 1.761 325 HG21 THR 46 HG21 THR 46 -22.699 9.202 2.878 326 HG22 THR 46 HG22 THR 46 -22.940 7.446 2.823 327 HG23 THR 46 HG23 THR 46 -22.153 8.262 1.466 328 H GLY 47 H GLY 47 -17.476 9.103 2.146 329 HA2 GLY 47 HA2 GLY 47 -15.389 8.696 3.052 330 HA3 GLY 47 HA3 GLY 47 -16.066 8.907 4.666 331 H ARG 48 H ARG 48 -17.918 6.519 3.205 332 HA ARG 48 HA ARG 48 -17.067 4.332 4.740 333 HB2 ARG 48 HB2 ARG 48 -19.220 4.468 3.665 334 HB3 ARG 48 HB3 ARG 48 -18.523 4.445 2.061 335 HG2 ARG 48 HG2 ARG 48 -17.899 2.075 3.804 336 HG3 ARG 48 HG3 ARG 48 -19.587 2.303 3.347 337 HD2 ARG 48 HD2 ARG 48 -18.838 2.467 0.933 338 HD3 ARG 48 HD3 ARG 48 -17.227 1.947 1.464 339 HE ARG 48 HE ARG 48 -18.924 0.036 2.543 340 HH11 ARG 48 HH11 ARG 48 -18.454 1.135 -0.808 341 HH12 ARG 48 HH12 ARG 48 -19.166 -0.330 -1.421 342 HH21 ARG 48 HH21 ARG 48 -19.556 -1.876 1.590 343 HH22 ARG 48 HH22 ARG 48 -19.715 -1.953 -0.151 344 H SER 49 H SER 49 -15.220 3.302 4.788 345 HA SER 49 HA SER 49 -13.159 3.804 2.918 346 HB2 SER 49 HB2 SER 49 -13.259 1.648 5.059 347 HB3 SER 49 HB3 SER 49 -11.808 2.397 4.368 348 HG SER 49 HG SER 49 -12.470 4.388 5.206 349 H ARG 50 H ARG 50 -12.254 2.614 1.222 350 HA ARG 50 HA ARG 50 -13.542 0.040 0.393 351 HB2 ARG 50 HB2 ARG 50 -11.155 1.478 -0.803 352 HB3 ARG 50 HB3 ARG 50 -11.944 0.053 -1.448 353 HG2 ARG 50 HG2 ARG 50 -13.264 2.783 -1.153 354 HG3 ARG 50 HG3 ARG 50 -12.598 2.146 -2.639 355 HD2 ARG 50 HD2 ARG 50 -14.952 0.974 -1.153 356 HD3 ARG 50 HD3 ARG 50 -14.946 2.002 -2.603 357 HE ARG 50 HE ARG 50 -13.672 0.224 -3.775 358 HH11 ARG 50 HH11 ARG 50 -15.752 -0.930 -1.114 359 HH12 ARG 50 HH12 ARG 50 -16.162 -2.362 -2.023 360 HH21 ARG 50 HH21 ARG 50 -14.320 -1.577 -4.805 361 HH22 ARG 50 HH22 ARG 50 -15.455 -2.671 -4.062 362 H GLY 51 H GLY 51 -10.563 1.319 1.756 363 HA2 GLY 51 HA2 GLY 51 -9.406 0.380 3.491 364 HA3 GLY 51 HA3 GLY 51 -10.177 -1.148 3.341 365 H PHE 52 H PHE 52 -8.727 0.303 0.506 366 HA PHE 52 HA PHE 52 -6.179 -1.097 0.784 367 HB2 PHE 52 HB2 PHE 52 -6.452 -2.241 -1.424 368 HB3 PHE 52 HB3 PHE 52 -7.440 -2.887 -0.147 369 HD1 PHE 52 HD1 PHE 52 -7.634 -0.469 -3.053 370 HD2 PHE 52 HD2 PHE 52 -9.729 -3.277 -0.529 371 HE1 PHE 52 HE1 PHE 52 -9.650 -0.243 -4.466 372 HE2 PHE 52 HE2 PHE 52 -11.737 -3.064 -1.985 373 HZ PHE 52 HZ PHE 52 -11.698 -1.549 -3.948 374 H GLY 53 H GLY 53 -4.838 -0.706 -1.229 375 HA2 GLY 53 HA2 GLY 53 -5.542 1.276 -3.141 376 HA3 GLY 53 HA3 GLY 53 -4.528 2.014 -1.898 377 H PHE 54 H PHE 54 -3.041 2.366 -3.619 378 HA PHE 54 HA PHE 54 -1.266 0.054 -4.196 379 HB2 PHE 54 HB2 PHE 54 -1.649 2.527 -5.907 380 HB3 PHE 54 HB3 PHE 54 -0.482 1.249 -6.199 381 HD1 PHE 54 HD2 PHE 54 -1.590 -1.229 -6.287 382 HD2 PHE 54 HD1 PHE 54 -3.566 2.474 -7.254 383 HE1 PHE 54 HE2 PHE 54 -3.201 -2.462 -7.726 384 HE2 PHE 54 HE1 PHE 54 -5.168 1.245 -8.691 385 HZ PHE 54 HZ PHE 54 -4.991 -1.221 -8.930 386 H VAL 55 H VAL 55 1.008 0.486 -4.087 387 HA VAL 55 HA VAL 55 1.881 3.124 -3.084 388 HB VAL 55 HB VAL 55 1.446 1.853 -1.066 389 HG11 VAL 55 HG11 VAL 55 3.569 -0.121 -1.969 390 HG12 VAL 55 HG12 VAL 55 2.720 -0.106 -0.412 391 HG13 VAL 55 HG13 VAL 55 1.820 -0.458 -1.892 392 HG21 VAL 55 HG21 VAL 55 4.449 2.119 -1.452 393 HG22 VAL 55 HG22 VAL 55 3.342 3.477 -1.152 394 HG23 VAL 55 HG23 VAL 55 3.532 2.203 0.064 395 H SER 56 H SER 56 3.891 3.727 -3.634 396 HA SER 56 HA SER 56 5.330 2.066 -5.674 397 HB2 SER 56 HB2 SER 56 4.854 5.062 -5.741 398 HB3 SER 56 HB3 SER 56 5.435 4.050 -7.052 399 HG SER 56 HG SER 56 3.142 4.815 -6.903 400 H PHE 57 H PHE 57 7.465 1.850 -5.224 401 HA PHE 57 HA PHE 57 8.884 3.825 -3.487 402 HB2 PHE 57 HB2 PHE 57 9.740 1.118 -4.562 403 HB3 PHE 57 HB3 PHE 57 10.747 2.184 -3.596 404 HD1 PHE 57 HD2 PHE 57 10.223 2.661 -1.210 405 HD2 PHE 57 HD1 PHE 57 7.940 -0.188 -3.509 406 HE1 PHE 57 HE2 PHE 57 9.294 1.713 0.885 407 HE2 PHE 57 HE1 PHE 57 7.007 -1.131 -1.412 408 HZ PHE 57 HZ PHE 57 7.686 -0.187 0.784 409 H SER 58 H SER 58 11.030 4.625 -4.260 410 HA SER 58 HA SER 58 10.949 5.248 -7.156 411 HB2 SER 58 HB2 SER 58 12.502 7.004 -6.682 412 HB3 SER 58 HB3 SER 58 11.119 7.096 -5.594 413 HG SER 58 HG SER 58 13.258 7.380 -4.637 414 H ASN 59 H ASN 59 12.482 2.861 -5.290 415 HA ASN 59 HA ASN 59 14.383 2.308 -7.517 416 HB2 ASN 59 HB2 ASN 59 15.029 2.183 -4.542 417 HB3 ASN 59 HB3 ASN 59 16.073 1.596 -5.824 418 HD21 ASN 59 HD21 ASN 59 14.664 4.496 -4.392 419 HD22 ASN 59 HD22 ASN 59 15.732 5.639 -5.190 420 H GLU 60 H GLU 60 15.016 0.179 -7.787 421 HA GLU 60 HA GLU 60 12.762 -1.571 -7.648 422 HB2 GLU 60 HB2 GLU 60 15.473 -2.519 -8.591 423 HB3 GLU 60 HB3 GLU 60 13.866 -2.952 -9.148 424 HG2 GLU 60 HG2 GLU 60 14.642 -1.668 -10.896 425 HG3 GLU 60 HG3 GLU 60 13.730 -0.461 -9.985 426 H GLN 61 H GLN 61 16.065 -2.008 -6.237 427 HA GLN 61 HA GLN 61 15.601 -4.570 -5.084 428 HB2 GLN 61 HB2 GLN 61 17.442 -2.286 -4.271 429 HB3 GLN 61 HB3 GLN 61 17.488 -3.875 -3.515 430 HG2 GLN 61 HG2 GLN 61 18.105 -4.949 -5.613 431 HG3 GLN 61 HG3 GLN 61 17.938 -3.434 -6.494 432 HE21 GLN 61 HE21 GLN 61 20.314 -4.384 -6.968 433 HE22 GLN 61 HE22 GLN 61 21.558 -3.694 -5.913 434 H ALA 62 H ALA 62 14.940 -1.334 -3.824 435 HA ALA 62 HA ALA 62 14.183 -1.996 -1.157 436 HB1 ALA 62 HB1 ALA 62 14.703 0.290 -1.862 437 HB2 ALA 62 HB2 ALA 62 13.359 0.280 -3.029 438 HB3 ALA 62 HB3 ALA 62 13.022 0.218 -1.294 439 H MET 63 H MET 63 12.222 -1.785 -4.180 440 HA MET 63 HA MET 63 9.713 -2.241 -2.891 441 HB2 MET 63 HB2 MET 63 9.957 -1.204 -5.082 442 HB3 MET 63 HB3 MET 63 10.583 -2.694 -5.781 443 HG2 MET 63 HG2 MET 63 7.870 -2.677 -4.441 444 HG3 MET 63 HG3 MET 63 8.057 -2.006 -6.059 445 HE1 MET 63 HE1 MET 63 6.174 -3.694 -6.925 446 HE2 MET 63 HE2 MET 63 6.265 -5.451 -6.663 447 HE3 MET 63 HE3 MET 63 6.070 -4.358 -5.274 448 H GLN 64 H GLN 64 12.034 -4.597 -4.340 449 HA GLN 64 HA GLN 64 10.221 -6.821 -3.864 450 HB2 GLN 64 HB2 GLN 64 13.192 -6.786 -4.481 451 HB3 GLN 64 HB3 GLN 64 12.158 -8.216 -4.446 452 HG2 GLN 64 HG2 GLN 64 11.728 -5.849 -6.339 453 HG3 GLN 64 HG3 GLN 64 12.666 -7.269 -6.741 454 HE21 GLN 64 HE21 GLN 64 10.909 -7.035 -8.556 455 HE22 GLN 64 HE22 GLN 64 9.453 -7.988 -8.283 456 H ASP 65 H ASP 65 12.885 -5.384 -1.939 457 HA ASP 65 HA ASP 65 12.727 -7.492 0.079 458 HB2 ASP 65 HB2 ASP 65 14.743 -6.006 -0.356 459 HB3 ASP 65 HB3 ASP 65 13.855 -4.689 0.417 460 H ALA 66 H ALA 66 11.050 -4.397 -0.497 461 HA ALA 66 HA ALA 66 9.627 -4.373 2.000 462 HB1 ALA 66 HB1 ALA 66 9.815 -2.387 0.558 463 HB2 ALA 66 HB2 ALA 66 8.844 -3.186 -0.694 464 HB3 ALA 66 HB3 ALA 66 8.122 -2.802 0.880 465 H ILE 67 H ILE 67 8.663 -5.748 -1.244 466 HA ILE 67 HA ILE 67 6.195 -6.852 -0.329 467 HB ILE 67 HB ILE 67 8.089 -7.674 -2.555 468 HG12 ILE 67 HG12 ILE 67 6.934 -5.462 -2.772 469 HG13 ILE 67 HG13 ILE 67 6.554 -6.609 -4.044 470 HG21 ILE 67 HG21 ILE 67 6.120 -8.932 -3.535 471 HG22 ILE 67 HG22 ILE 67 6.898 -9.713 -2.151 472 HG23 ILE 67 HG23 ILE 67 5.352 -8.860 -1.942 473 HD11 ILE 67 HD11 ILE 67 4.594 -5.347 -3.330 474 HD12 ILE 67 HD12 ILE 67 4.346 -7.060 -3.016 475 HD13 ILE 67 HD13 ILE 67 4.739 -5.946 -1.677 476 H GLU 68 H GLU 68 9.415 -8.453 -0.469 477 HA GLU 68 HA GLU 68 8.719 -10.887 0.778 478 HB2 GLU 68 HB2 GLU 68 10.897 -10.163 -0.335 479 HB3 GLU 68 HB3 GLU 68 11.326 -9.368 1.185 480 HG2 GLU 68 HG2 GLU 68 11.013 -11.654 2.300 481 HG3 GLU 68 HG3 GLU 68 10.842 -12.336 0.680 482 H GLY 69 H GLY 69 9.242 -7.715 2.283 483 HA2 GLY 69 HA2 GLY 69 9.122 -8.750 5.037 484 HA3 GLY 69 HA3 GLY 69 9.307 -7.078 4.517 485 H MET 70 H MET 70 6.835 -7.234 2.750 486 HA MET 70 HA MET 70 5.130 -6.050 4.677 487 HB2 MET 70 HB2 MET 70 4.754 -6.949 1.810 488 HB3 MET 70 HB3 MET 70 3.396 -6.273 2.694 489 HG2 MET 70 HG2 MET 70 5.775 -4.558 2.920 490 HG3 MET 70 HG3 MET 70 5.386 -4.915 1.242 491 HE1 MET 70 HE1 MET 70 4.782 -2.537 0.392 492 HE2 MET 70 HE2 MET 70 3.943 -1.357 1.428 493 HE3 MET 70 HE3 MET 70 5.494 -2.052 1.949 494 H ASN 71 H ASN 71 4.771 -9.271 3.081 495 HA ASN 71 HA ASN 71 2.041 -9.404 3.568 496 HB2 ASN 71 HB2 ASN 71 2.109 -11.720 2.970 497 HB3 ASN 71 HB3 ASN 71 3.216 -10.814 1.959 498 HD21 ASN 71 HD21 ASN 71 2.903 -13.621 3.714 499 HD22 ASN 71 HD22 ASN 71 4.627 -13.985 3.887 500 H GLY 72 H GLY 72 0.921 -9.194 5.342 501 HA2 GLY 72 HA2 GLY 72 -0.132 -9.975 7.240 502 HA3 GLY 72 HA3 GLY 72 1.118 -11.180 7.489 503 H LYS 73 H LYS 73 2.500 -7.998 7.217 504 HA LYS 73 HA LYS 73 3.080 -7.772 10.079 505 HB2 LYS 73 HB2 LYS 73 3.236 -5.748 7.813 506 HB3 LYS 73 HB3 LYS 73 3.867 -5.472 9.429 507 HG2 LYS 73 HG2 LYS 73 4.832 -7.684 7.556 508 HG3 LYS 73 HG3 LYS 73 5.587 -6.100 7.735 509 HD2 LYS 73 HD2 LYS 73 5.970 -6.588 10.154 510 HD3 LYS 73 HD3 LYS 73 5.342 -8.218 9.916 511 HE2 LYS 73 HE2 LYS 73 7.741 -7.041 8.426 512 HE3 LYS 73 HE3 LYS 73 7.857 -7.988 9.905 513 HZ1 LYS 73 HZ1 LYS 73 6.845 -8.927 7.306 514 HZ2 LYS 73 HZ2 LYS 73 6.735 -9.828 8.689 515 HZ3 LYS 73 HZ3 LYS 73 8.212 -9.419 8.043 516 H GLU 74 H GLU 74 2.356 -6.036 11.520 517 HA GLU 74 HA GLU 74 -0.553 -5.397 11.163 518 HB2 GLU 74 HB2 GLU 74 1.142 -5.692 13.659 519 HB3 GLU 74 HB3 GLU 74 -0.473 -4.976 13.643 520 HG2 GLU 74 HG2 GLU 74 -1.366 -7.121 12.685 521 HG3 GLU 74 HG3 GLU 74 0.235 -7.838 12.914 522 H LEU 75 H LEU 75 -0.789 -3.411 10.264 523 HA LEU 75 HA LEU 75 0.737 -1.074 11.383 524 HB2 LEU 75 HB2 LEU 75 -0.324 -1.439 8.545 525 HB3 LEU 75 HB3 LEU 75 0.438 -0.004 9.197 526 HG LEU 75 HG LEU 75 2.056 -0.933 7.868 527 HD11 LEU 75 HD11 LEU 75 3.888 -1.605 9.291 528 HD12 LEU 75 HD12 LEU 75 2.789 -2.049 10.599 529 HD13 LEU 75 HD13 LEU 75 2.941 -0.347 10.110 530 HD21 LEU 75 HD21 LEU 75 1.047 -3.152 7.502 531 HD22 LEU 75 HD22 LEU 75 1.703 -3.698 9.057 532 HD23 LEU 75 HD23 LEU 75 2.800 -3.208 7.763 533 H ASP 76 H ASP 76 -0.559 0.689 12.068 534 HA ASP 76 HA ASP 76 -2.395 1.449 13.160 535 HB2 ASP 76 HB2 ASP 76 -2.981 2.308 11.033 536 HB3 ASP 76 HB3 ASP 76 -3.658 0.785 10.475 537 H GLY 77 H GLY 77 -1.687 -1.429 13.523 538 HA2 GLY 77 HA2 GLY 77 -2.471 -3.296 14.609 539 HA3 GLY 77 HA3 GLY 77 -3.981 -2.450 14.969 540 H ARG 78 H ARG 78 -3.451 -2.385 11.617 541 HA ARG 78 HA ARG 78 -5.414 -4.556 11.106 542 HB2 ARG 78 HB2 ARG 78 -4.296 -2.608 9.069 543 HB3 ARG 78 HB3 ARG 78 -5.813 -3.491 9.021 544 HG2 ARG 78 HG2 ARG 78 -5.159 -1.117 10.832 545 HG3 ARG 78 HG3 ARG 78 -6.098 -1.051 9.353 546 HD2 ARG 78 HD2 ARG 78 -7.840 -2.455 10.321 547 HD3 ARG 78 HD3 ARG 78 -6.896 -2.660 11.809 548 HE ARG 78 HE ARG 78 -7.132 0.105 11.512 549 HH11 ARG 78 HH11 ARG 78 -9.512 -2.527 11.810 550 HH12 ARG 78 HH12 ARG 78 -10.641 -1.439 12.619 551 HH21 ARG 78 HH21 ARG 78 -8.602 1.182 12.866 552 HH22 ARG 78 HH22 ARG 78 -10.199 0.473 13.111 553 H SER 79 H SER 79 -4.847 -6.395 9.980 554 HA SER 79 HA SER 79 -2.011 -6.906 9.472 555 HB2 SER 79 HB2 SER 79 -4.446 -8.634 8.937 556 HB3 SER 79 HB3 SER 79 -2.750 -9.145 8.793 557 HG SER 79 HG SER 79 -4.117 -8.225 11.110 558 H ILE 80 H ILE 80 -0.921 -6.577 7.631 559 HA ILE 80 HA ILE 80 -2.404 -5.635 5.323 560 HB ILE 80 HB ILE 80 -0.502 -4.418 6.275 561 HG12 ILE 80 HG12 ILE 80 0.123 -5.068 3.365 562 HG13 ILE 80 HG13 ILE 80 -1.309 -4.159 3.821 563 HG21 ILE 80 HG21 ILE 80 0.971 -6.412 6.659 564 HG22 ILE 80 HG22 ILE 80 1.224 -6.510 4.909 565 HG23 ILE 80 HG23 ILE 80 1.796 -5.100 5.821 566 HD11 ILE 80 HD11 ILE 80 0.105 -2.468 4.976 567 HD12 ILE 80 HD12 ILE 80 1.556 -3.333 4.418 568 HD13 ILE 80 HD13 ILE 80 0.449 -2.603 3.245 569 H VAL 81 H VAL 81 -2.330 -6.238 3.226 570 HA VAL 81 HA VAL 81 -1.296 -8.960 2.514 571 HB VAL 81 HB VAL 81 -4.024 -7.722 1.988 572 HG11 VAL 81 HG11 VAL 81 -2.848 -10.167 0.602 573 HG12 VAL 81 HG12 VAL 81 -4.549 -9.671 0.557 574 HG13 VAL 81 HG13 VAL 81 -3.326 -8.641 -0.179 575 HG21 VAL 81 HG21 VAL 81 -3.745 -9.047 4.068 576 HG22 VAL 81 HG22 VAL 81 -4.819 -9.867 2.927 577 HG23 VAL 81 HG23 VAL 81 -3.137 -10.416 3.112 578 H VAL 82 H VAL 82 -0.275 -9.085 0.540 579 HA VAL 82 HA VAL 82 -0.013 -6.538 -1.001 580 HB VAL 82 HB VAL 82 2.396 -7.100 -1.325 581 HG11 VAL 82 HG11 VAL 82 1.396 -5.232 -0.033 582 HG12 VAL 82 HG12 VAL 82 1.505 -6.234 1.435 583 HG13 VAL 82 HG13 VAL 82 2.972 -5.761 0.508 584 HG21 VAL 82 HG21 VAL 82 2.052 -8.653 1.268 585 HG22 VAL 82 HG22 VAL 82 2.373 -9.397 -0.310 586 HG23 VAL 82 HG23 VAL 82 3.566 -8.306 0.399 587 H ASN 83 H ASN 83 0.329 -6.634 -3.177 588 HA ASN 83 HA ASN 83 1.970 -8.667 -4.252 589 HB2 ASN 83 HB2 ASN 83 0.526 -9.362 -6.208 590 HB3 ASN 83 HB3 ASN 83 0.087 -10.072 -4.673 591 HD21 ASN 83 HD21 ASN 83 -0.815 -7.462 -6.972 592 HD22 ASN 83 HD22 ASN 83 -2.499 -7.406 -6.442 593 H GLU 84 H GLU 84 2.852 -8.072 -6.325 594 HA GLU 84 HA GLU 84 2.948 -5.346 -6.960 595 HB2 GLU 84 HB2 GLU 84 4.222 -5.963 -8.874 596 HB3 GLU 84 HB3 GLU 84 4.650 -6.956 -7.505 597 HG2 GLU 84 HG2 GLU 84 4.604 -8.529 -9.183 598 HG3 GLU 84 HG3 GLU 84 3.022 -8.743 -8.448 599 H ALA 85 H ALA 85 2.203 -4.154 -8.847 600 HA ALA 85 HA ALA 85 -0.698 -4.665 -9.093 601 HB1 ALA 85 HB1 ALA 85 0.914 -2.100 -9.291 602 HB2 ALA 85 HB2 ALA 85 -0.852 -2.232 -9.210 603 HB3 ALA 85 HB3 ALA 85 0.123 -2.727 -7.823 604 H GLN 86 H GLN 86 1.656 -5.323 -11.336 605 HA GLN 86 HA GLN 86 1.097 -3.491 -13.394 606 HB2 GLN 86 HB2 GLN 86 2.477 -4.749 -14.776 607 HB3 GLN 86 HB3 GLN 86 3.092 -5.036 -13.154 608 HG2 GLN 86 HG2 GLN 86 1.742 -7.230 -13.173 609 HG3 GLN 86 HG3 GLN 86 1.402 -6.919 -14.879 610 HE21 GLN 86 HE21 GLN 86 4.043 -7.382 -12.555 611 HE22 GLN 86 HE22 GLN 86 5.243 -7.924 -13.739 612 H SER 87 H SER 87 -0.723 -6.396 -12.629 613 HA SER 87 HA SER 87 -2.007 -6.513 -15.264 614 HB2 SER 87 HB2 SER 87 -2.506 -8.158 -12.772 615 HB3 SER 87 HB3 SER 87 -3.210 -8.440 -14.378 616 HG SER 87 HG SER 87 -1.109 -8.628 -15.220 617 H ARG 88 H ARG 88 -3.019 -5.490 -11.960 618 HA ARG 88 HA ARG 88 -5.761 -4.907 -12.782 619 HB2 ARG 88 HB2 ARG 88 -4.094 -3.939 -10.427 620 HB3 ARG 88 HB3 ARG 88 -5.752 -3.394 -10.733 621 HG2 ARG 88 HG2 ARG 88 -6.572 -5.738 -10.658 622 HG3 ARG 88 HG3 ARG 88 -4.921 -6.298 -10.366 623 HD2 ARG 88 HD2 ARG 88 -5.950 -6.290 -8.265 624 HD3 ARG 88 HD3 ARG 88 -4.883 -4.899 -8.265 625 HE ARG 88 HE ARG 88 -6.929 -3.464 -8.680 626 HH11 ARG 88 HH11 ARG 88 -7.633 -6.650 -7.306 627 HH12 ARG 88 HH12 ARG 88 -8.869 -5.968 -6.276 628 HH21 ARG 88 HH21 ARG 88 -8.533 -2.788 -7.502 629 HH22 ARG 88 HH22 ARG 88 -9.338 -3.857 -6.339 630 H GLY 89 H GLY 89 -2.800 -2.935 -12.672 631 HA2 GLY 89 HA2 GLY 89 -4.120 -0.645 -13.964 632 HA3 GLY 89 HA3 GLY 89 -2.437 -0.763 -13.463 633 H TYR 90 H TYR 90 -3.503 -3.409 -15.459 634 HA TYR 90 HA TYR 90 -1.630 -2.706 -17.510 635 HB2 TYR 90 HB2 TYR 90 -2.512 -5.039 -16.749 636 HB3 TYR 90 HB3 TYR 90 -3.813 -4.755 -17.883 637 HD1 TYR 90 HD1 TYR 90 -0.200 -5.377 -17.432 638 HD2 TYR 90 HD2 TYR 90 -3.350 -4.803 -20.322 639 HE1 TYR 90 HE1 TYR 90 1.314 -6.179 -19.237 640 HE2 TYR 90 HE2 TYR 90 -1.846 -5.633 -22.112 641 HH TYR 90 HH TYR 90 0.202 -6.462 -22.631 642 H GLY 91 H GLY 91 -1.959 -2.145 -19.652 643 HA2 GLY 91 HA2 GLY 91 -3.637 0.074 -19.955 644 HA3 GLY 91 HA3 GLY 91 -2.718 -0.685 -21.248 645 H GLY 92 H GLY 92 -5.083 0.647 -21.571 646 HA2 GLY 92 HA2 GLY 92 -7.325 -1.187 -22.006 647 HA3 GLY 92 HA3 GLY 92 -7.267 0.532 -22.378 Start of MODEL 19 1 H1 MET 1 H1 MET 1 10.955 -12.400 -8.147 2 H2 MET 1 H2 MET 1 12.164 -13.135 -8.946 3 H3 MET 1 H3 MET 1 10.642 -13.747 -9.045 4 HA MET 1 HA MET 1 11.254 -12.603 -11.061 5 HB2 MET 1 HB2 MET 1 9.375 -11.131 -11.326 6 HB3 MET 1 HB3 MET 1 8.869 -12.574 -10.446 7 HG2 MET 1 HG2 MET 1 9.415 -9.802 -9.308 8 HG3 MET 1 HG3 MET 1 7.839 -10.515 -9.606 9 HE1 MET 1 HE1 MET 1 7.907 -13.443 -8.456 10 HE2 MET 1 HE2 MET 1 7.390 -13.119 -6.791 11 HE3 MET 1 HE3 MET 1 6.630 -12.243 -8.137 12 H ALA 2 H ALA 2 11.723 -10.619 -12.159 13 HA ALA 2 HA ALA 2 12.927 -8.476 -10.471 14 HB1 ALA 2 HB1 ALA 2 14.741 -9.979 -11.139 15 HB2 ALA 2 HB2 ALA 2 14.253 -9.844 -12.844 16 HB3 ALA 2 HB3 ALA 2 14.876 -8.422 -11.980 17 H GLU 3 H GLU 3 11.731 -6.770 -10.875 18 HA GLU 3 HA GLU 3 10.541 -5.967 -13.346 19 HB2 GLU 3 HB2 GLU 3 11.304 -4.521 -10.793 20 HB3 GLU 3 HB3 GLU 3 10.653 -3.652 -12.184 21 HG2 GLU 3 HG2 GLU 3 8.900 -4.184 -10.562 22 HG3 GLU 3 HG3 GLU 3 8.602 -4.874 -12.154 23 H SER 4 H SER 4 11.980 -6.334 -14.924 24 HA SER 4 HA SER 4 14.566 -5.091 -15.205 25 HB2 SER 4 HB2 SER 4 13.769 -7.254 -16.235 26 HB3 SER 4 HB3 SER 4 12.817 -6.288 -17.377 27 HG SER 4 HG SER 4 15.611 -6.554 -17.081 28 H ASP 5 H ASP 5 14.741 -4.030 -17.705 29 HA ASP 5 HA ASP 5 14.215 -1.305 -17.113 30 HB2 ASP 5 HB2 ASP 5 15.456 -2.846 -19.344 31 HB3 ASP 5 HB3 ASP 5 14.827 -1.274 -19.800 32 H GLY 6 H GLY 6 12.029 -3.497 -18.682 33 HA2 GLY 6 HA2 GLY 6 10.376 -1.387 -19.903 34 HA3 GLY 6 HA3 GLY 6 10.084 -3.119 -19.892 35 H ALA 7 H ALA 7 10.614 -2.688 -16.724 36 HA ALA 7 HA ALA 7 7.715 -2.310 -16.133 37 HB1 ALA 7 HB1 ALA 7 9.806 -4.015 -14.749 38 HB2 ALA 7 HB2 ALA 7 8.079 -3.918 -14.328 39 HB3 ALA 7 HB3 ALA 7 8.570 -4.592 -15.891 40 H GLU 8 H GLU 8 7.191 -1.637 -13.863 41 HA GLU 8 HA GLU 8 9.172 0.237 -12.653 42 HB2 GLU 8 HB2 GLU 8 7.504 1.904 -12.293 43 HB3 GLU 8 HB3 GLU 8 7.460 1.482 -14.004 44 HG2 GLU 8 HG2 GLU 8 5.481 0.006 -13.562 45 HG3 GLU 8 HG3 GLU 8 5.526 0.469 -11.861 46 H TYR 9 H TYR 9 8.675 0.848 -10.350 47 HA TYR 9 HA TYR 9 8.176 -1.732 -8.995 48 HB2 TYR 9 HB2 TYR 9 9.417 0.663 -7.672 49 HB3 TYR 9 HB3 TYR 9 9.700 -1.047 -7.388 50 HD1 TYR 9 HD2 TYR 9 10.476 -2.179 -9.939 51 HD2 TYR 9 HD1 TYR 9 11.287 1.767 -8.406 52 HE1 TYR 9 HE2 TYR 9 12.342 -1.928 -11.553 53 HE2 TYR 9 HE1 TYR 9 13.170 2.005 -9.989 54 HH TYR 9 HH TYR 9 13.868 -0.484 -12.465 55 H ARG 10 H ARG 10 5.858 -1.534 -9.209 56 HA ARG 10 HA ARG 10 4.568 0.108 -7.061 57 HB2 ARG 10 HB2 ARG 10 4.427 1.330 -9.132 58 HB3 ARG 10 HB3 ARG 10 3.795 -0.072 -9.998 59 HG2 ARG 10 HG2 ARG 10 1.680 0.069 -8.942 60 HG3 ARG 10 HG3 ARG 10 2.290 1.090 -7.633 61 HD2 ARG 10 HD2 ARG 10 0.871 2.317 -9.262 62 HD3 ARG 10 HD3 ARG 10 2.478 2.993 -9.047 63 HE ARG 10 HE ARG 10 3.123 2.345 -11.222 64 HH11 ARG 10 HH11 ARG 10 -0.325 1.589 -10.758 65 HH12 ARG 10 HH12 ARG 10 -0.596 1.792 -12.470 66 HH21 ARG 10 HH21 ARG 10 2.643 2.381 -13.325 67 HH22 ARG 10 HH22 ARG 10 1.027 2.039 -13.883 68 H CYS 11 H CYS 11 3.051 -0.816 -5.879 69 HA CYS 11 HA CYS 11 1.857 -3.422 -6.630 70 HB2 CYS 11 HB2 CYS 11 2.771 -4.445 -4.522 71 HB3 CYS 11 HB3 CYS 11 3.994 -4.045 -5.728 72 HG CYS 11 HG CYS 11 3.115 -2.031 -3.258 73 H PHE 12 H PHE 12 0.271 -4.234 -5.217 74 HA PHE 12 HA PHE 12 -1.582 -2.209 -4.158 75 HB2 PHE 12 HB2 PHE 12 -2.433 -3.872 -5.688 76 HB3 PHE 12 HB3 PHE 12 -1.699 -5.181 -4.779 77 HD1 PHE 12 HD2 PHE 12 -2.665 -6.024 -2.694 78 HD2 PHE 12 HD1 PHE 12 -4.543 -2.830 -4.911 79 HE1 PHE 12 HE2 PHE 12 -4.751 -6.342 -1.386 80 HE2 PHE 12 HE1 PHE 12 -6.644 -3.198 -3.639 81 HZ PHE 12 HZ PHE 12 -6.745 -4.930 -1.862 82 H VAL 13 H VAL 13 -2.365 -2.145 -2.093 83 HA VAL 13 HA VAL 13 -1.093 -3.778 0.069 84 HB VAL 13 HB VAL 13 -1.390 -0.731 0.035 85 HG11 VAL 13 HG11 VAL 13 -1.664 -1.633 2.307 86 HG12 VAL 13 HG12 VAL 13 -0.176 -2.585 2.119 87 HG13 VAL 13 HG13 VAL 13 -0.107 -0.798 2.132 88 HG21 VAL 13 HG21 VAL 13 1.166 -2.369 -0.040 89 HG22 VAL 13 HG22 VAL 13 0.529 -1.328 -1.337 90 HG23 VAL 13 HG23 VAL 13 1.041 -0.604 0.194 91 H GLY 14 H GLY 14 -2.931 -4.836 0.897 92 HA2 GLY 14 HA2 GLY 14 -5.320 -3.096 1.535 93 HA3 GLY 14 HA3 GLY 14 -5.362 -4.844 1.358 94 H SER 15 H SER 15 -5.439 -2.434 3.561 95 HA SER 15 HA SER 15 -5.300 -4.099 5.862 96 HB2 SER 15 HB2 SER 15 -2.723 -3.592 5.208 97 HB3 SER 15 HB3 SER 15 -3.051 -2.107 6.121 98 HG SER 15 HG SER 15 -3.457 -3.297 7.917 99 H LEU 16 H LEU 16 -6.196 -1.188 4.426 100 HA LEU 16 HA LEU 16 -5.784 0.581 6.727 101 HB2 LEU 16 HB2 LEU 16 -7.294 1.171 4.174 102 HB3 LEU 16 HB3 LEU 16 -6.667 2.342 5.282 103 HG LEU 16 HG LEU 16 -5.168 0.605 3.308 104 HD11 LEU 16 HD11 LEU 16 -6.366 2.798 2.760 105 HD12 LEU 16 HD12 LEU 16 -4.639 2.705 2.312 106 HD13 LEU 16 HD13 LEU 16 -5.152 3.612 3.754 107 HD21 LEU 16 HD21 LEU 16 -3.077 1.650 4.066 108 HD22 LEU 16 HD22 LEU 16 -3.762 0.635 5.341 109 HD23 LEU 16 HD23 LEU 16 -3.925 2.405 5.432 110 H SER 17 H SER 17 -7.572 1.965 7.401 111 HA SER 17 HA SER 17 -10.256 0.706 7.596 112 HB2 SER 17 HB2 SER 17 -8.588 1.741 9.917 113 HB3 SER 17 HB3 SER 17 -10.315 1.344 10.022 114 HG SER 17 HG SER 17 -8.183 -0.216 10.272 115 H TRP 18 H TRP 18 -11.824 2.488 8.542 116 HA TRP 18 HA TRP 18 -11.928 4.403 6.595 117 HB2 TRP 18 HB2 TRP 18 -13.860 5.188 7.556 118 HB3 TRP 18 HB3 TRP 18 -13.761 3.545 8.141 119 HD1 TRP 18 HD1 TRP 18 -13.402 7.180 9.263 120 HE1 TRP 18 HE1 TRP 18 -13.863 7.392 11.763 121 HE3 TRP 18 HE3 TRP 18 -13.707 2.196 10.441 122 HZ2 TRP 18 HZ2 TRP 18 -14.276 5.622 14.007 123 HZ3 TRP 18 HZ3 TRP 18 -14.169 1.493 12.778 124 HH2 TRP 18 HH2 TRP 18 -14.449 3.189 14.572 125 H ASN 19 H ASN 19 -10.066 4.917 9.508 126 HA ASN 19 HA ASN 19 -9.599 7.768 8.754 127 HB2 ASN 19 HB2 ASN 19 -10.568 7.145 11.033 128 HB3 ASN 19 HB3 ASN 19 -9.013 6.419 11.413 129 HD21 ASN 19 HD21 ASN 19 -7.091 7.950 11.420 130 HD22 ASN 19 HD22 ASN 19 -7.438 9.586 11.972 131 H THR 20 H THR 20 -8.040 4.653 8.576 132 HA THR 20 HA THR 20 -5.303 5.734 8.559 133 HB THR 20 HB THR 20 -5.804 3.261 7.009 134 HG1 THR 20 HG1 THR 20 -5.706 2.633 9.653 135 HG21 THR 20 HG21 THR 20 -3.843 2.455 8.259 136 HG22 THR 20 HG22 THR 20 -3.836 3.952 9.217 137 HG23 THR 20 HG23 THR 20 -3.520 4.004 7.466 138 H ASP 21 H ASP 21 -4.073 6.268 6.723 139 HA ASP 21 HA ASP 21 -5.368 5.983 4.100 140 HB2 ASP 21 HB2 ASP 21 -5.299 8.349 3.591 141 HB3 ASP 21 HB3 ASP 21 -6.064 8.213 5.168 142 H ASP 22 H ASP 22 -3.772 7.444 2.448 143 HA ASP 22 HA ASP 22 -1.586 5.705 2.081 144 HB2 ASP 22 HB2 ASP 22 -0.781 7.413 0.424 145 HB3 ASP 22 HB3 ASP 22 -2.359 6.731 0.144 146 H ARG 23 H ARG 23 -1.686 8.768 3.870 147 HA ARG 23 HA ARG 23 1.145 9.185 4.148 148 HB2 ARG 23 HB2 ARG 23 -0.618 10.836 4.736 149 HB3 ARG 23 HB3 ARG 23 -1.102 9.840 6.113 150 HG2 ARG 23 HG2 ARG 23 1.049 10.160 7.198 151 HG3 ARG 23 HG3 ARG 23 1.711 10.955 5.771 152 HD2 ARG 23 HD2 ARG 23 -0.523 12.050 7.522 153 HD3 ARG 23 HD3 ARG 23 1.183 12.523 7.583 154 HE ARG 23 HE ARG 23 0.016 12.828 4.924 155 HH11 ARG 23 HH11 ARG 23 0.600 14.623 7.914 156 HH12 ARG 23 HH12 ARG 23 0.182 16.136 7.129 157 HH21 ARG 23 HH21 ARG 23 -0.390 14.648 4.057 158 HH22 ARG 23 HH22 ARG 23 -0.262 16.179 4.920 159 H GLY 24 H GLY 24 -1.050 6.977 5.786 160 HA2 GLY 24 HA2 GLY 24 0.705 6.272 7.984 161 HA3 GLY 24 HA3 GLY 24 -0.783 5.453 7.490 162 H LEU 25 H LEU 25 -0.291 4.490 4.983 163 HA LEU 25 HA LEU 25 1.716 2.442 5.397 164 HB2 LEU 25 HB2 LEU 25 1.179 1.533 3.325 165 HB3 LEU 25 HB3 LEU 25 -0.308 2.061 4.026 166 HG LEU 25 HG LEU 25 0.179 4.247 2.487 167 HD11 LEU 25 HD11 LEU 25 1.536 1.903 1.081 168 HD12 LEU 25 HD12 LEU 25 2.302 3.440 1.528 169 HD13 LEU 25 HD13 LEU 25 1.059 3.405 0.276 170 HD21 LEU 25 HD21 LEU 25 -1.244 3.212 0.752 171 HD22 LEU 25 HD22 LEU 25 -1.848 2.881 2.379 172 HD23 LEU 25 HD23 LEU 25 -0.974 1.614 1.481 173 H GLU 26 H GLU 26 1.877 5.555 3.620 174 HA GLU 26 HA GLU 26 4.493 5.237 2.547 175 HB2 GLU 26 HB2 GLU 26 2.921 7.058 1.982 176 HB3 GLU 26 HB3 GLU 26 3.083 7.710 3.618 177 HG2 GLU 26 HG2 GLU 26 5.558 8.050 3.111 178 HG3 GLU 26 HG3 GLU 26 5.203 7.607 1.439 179 H ALA 27 H ALA 27 3.474 6.268 5.845 180 HA ALA 27 HA ALA 27 6.189 6.712 6.751 181 HB1 ALA 27 HB1 ALA 27 4.082 7.833 7.598 182 HB2 ALA 27 HB2 ALA 27 3.610 6.305 8.350 183 HB3 ALA 27 HB3 ALA 27 5.083 7.151 8.879 184 H ALA 28 H ALA 28 4.098 3.881 6.729 185 HA ALA 28 HA ALA 28 5.785 2.280 8.485 186 HB1 ALA 28 HB1 ALA 28 3.860 1.375 6.298 187 HB2 ALA 28 HB2 ALA 28 4.534 0.368 7.595 188 HB3 ALA 28 HB3 ALA 28 3.427 1.687 7.996 189 H PHE 29 H PHE 29 5.683 2.807 4.932 190 HA PHE 29 HA PHE 29 7.986 0.995 4.629 191 HB2 PHE 29 HB2 PHE 29 6.190 2.147 2.507 192 HB3 PHE 29 HB3 PHE 29 7.320 0.806 2.342 193 HD1 PHE 29 HD2 PHE 29 6.717 -0.753 4.900 194 HD2 PHE 29 HD1 PHE 29 4.107 1.139 2.026 195 HE1 PHE 29 HE2 PHE 29 4.881 -2.261 5.571 196 HE2 PHE 29 HE1 PHE 29 2.295 -0.434 2.656 197 HZ PHE 29 HZ PHE 29 2.667 -2.100 4.453 198 H SER 30 H SER 30 7.710 4.482 4.531 199 HA SER 30 HA SER 30 9.671 5.015 2.566 200 HB2 SER 30 HB2 SER 30 9.016 6.523 5.128 201 HB3 SER 30 HB3 SER 30 10.155 7.112 3.906 202 HG SER 30 HG SER 30 7.403 6.554 3.595 203 H SER 31 H SER 31 10.207 3.591 5.706 204 HA SER 31 HA SER 31 13.026 4.207 5.943 205 HB2 SER 31 HB2 SER 31 12.936 2.387 7.666 206 HB3 SER 31 HB3 SER 31 11.787 3.708 7.915 207 HG SER 31 HG SER 31 10.283 2.295 7.880 208 H PHE 32 H PHE 32 11.303 1.895 3.979 209 HA PHE 32 HA PHE 32 13.636 0.104 3.598 210 HB2 PHE 32 HB2 PHE 32 10.875 0.223 2.323 211 HB3 PHE 32 HB3 PHE 32 12.126 -0.902 1.849 212 HD1 PHE 32 HD1 PHE 32 10.092 0.135 4.849 213 HD2 PHE 32 HD2 PHE 32 12.362 -2.983 2.917 214 HE1 PHE 32 HE1 PHE 32 9.323 -1.485 6.561 215 HE2 PHE 32 HE2 PHE 32 11.584 -4.601 4.626 216 HZ PHE 32 HZ PHE 32 10.074 -3.858 6.455 217 H GLY 33 H GLY 33 12.026 2.820 1.937 218 HA2 GLY 33 HA2 GLY 33 14.309 3.588 0.433 219 HA3 GLY 33 HA3 GLY 33 13.279 2.612 -0.604 220 H GLU 34 H GLU 34 13.421 4.800 -1.708 221 HA GLU 34 HA GLU 34 11.861 7.002 -0.550 222 HB2 GLU 34 HB2 GLU 34 13.322 6.683 -3.193 223 HB3 GLU 34 HB3 GLU 34 12.441 8.120 -2.693 224 HG2 GLU 34 HG2 GLU 34 14.704 8.577 -2.242 225 HG3 GLU 34 HG3 GLU 34 13.934 8.300 -0.687 226 H ILE 35 H ILE 35 9.745 7.115 -0.671 227 HA ILE 35 HA ILE 35 8.178 5.611 -2.608 228 HB ILE 35 HB ILE 35 7.455 7.573 -0.410 229 HG12 ILE 35 HG12 ILE 35 8.162 5.392 0.403 230 HG13 ILE 35 HG13 ILE 35 6.442 5.623 0.670 231 HG21 ILE 35 HG21 ILE 35 5.724 7.971 -2.004 232 HG22 ILE 35 HG22 ILE 35 5.536 6.241 -2.353 233 HG23 ILE 35 HG23 ILE 35 5.051 6.899 -0.784 234 HD11 ILE 35 HD11 ILE 35 7.770 3.856 -1.413 235 HD12 ILE 35 HD12 ILE 35 6.713 3.378 -0.078 236 HD13 ILE 35 HD13 ILE 35 6.046 4.262 -1.484 237 H LEU 36 H LEU 36 7.223 6.187 -4.376 238 HA LEU 36 HA LEU 36 7.464 8.981 -5.438 239 HB2 LEU 36 HB2 LEU 36 7.181 6.239 -6.658 240 HB3 LEU 36 HB3 LEU 36 6.446 7.598 -7.496 241 HG LEU 36 HG LEU 36 8.546 8.736 -7.746 242 HD11 LEU 36 HD11 LEU 36 9.762 8.201 -5.723 243 HD12 LEU 36 HD12 LEU 36 10.702 7.606 -7.092 244 HD13 LEU 36 HD13 LEU 36 9.736 6.472 -6.113 245 HD21 LEU 36 HD21 LEU 36 9.698 7.107 -9.201 246 HD22 LEU 36 HD22 LEU 36 7.939 6.995 -9.394 247 HD23 LEU 36 HD23 LEU 36 8.808 5.776 -8.436 248 H ASP 37 H ASP 37 5.043 6.378 -4.788 249 HA ASP 37 HA ASP 37 2.917 8.437 -4.571 250 HB2 ASP 37 HB2 ASP 37 2.907 6.170 -6.614 251 HB3 ASP 37 HB3 ASP 37 1.441 6.879 -6.006 252 H ALA 38 H ALA 38 1.130 7.811 -3.392 253 HA ALA 38 HA ALA 38 0.815 5.059 -2.580 254 HB1 ALA 38 HB1 ALA 38 1.346 7.237 -0.512 255 HB2 ALA 38 HB2 ALA 38 0.657 5.642 -0.137 256 HB3 ALA 38 HB3 ALA 38 2.299 5.771 -0.797 257 H LYS 39 H LYS 39 -1.293 4.627 -2.662 258 HA LYS 39 HA LYS 39 -3.246 6.874 -3.044 259 HB2 LYS 39 HB2 LYS 39 -2.858 5.439 -5.008 260 HB3 LYS 39 HB3 LYS 39 -3.201 4.013 -4.066 261 HG2 LYS 39 HG2 LYS 39 -5.077 4.477 -5.477 262 HG3 LYS 39 HG3 LYS 39 -5.581 4.659 -3.802 263 HD2 LYS 39 HD2 LYS 39 -6.516 6.402 -5.283 264 HD3 LYS 39 HD3 LYS 39 -5.490 7.119 -4.036 265 HE2 LYS 39 HE2 LYS 39 -3.670 7.447 -5.599 266 HE3 LYS 39 HE3 LYS 39 -4.479 6.487 -6.838 267 HZ1 LYS 39 HZ1 LYS 39 -4.685 8.892 -7.197 268 HZ2 LYS 39 HZ2 LYS 39 -5.529 9.052 -5.784 269 HZ3 LYS 39 HZ3 LYS 39 -6.164 8.179 -7.018 270 H ILE 40 H ILE 40 -5.039 7.030 -1.828 271 HA ILE 40 HA ILE 40 -5.898 4.709 -0.140 272 HB ILE 40 HB ILE 40 -5.177 6.836 1.028 273 HG12 ILE 40 HG12 ILE 40 -6.402 5.227 2.259 274 HG13 ILE 40 HG13 ILE 40 -6.857 6.859 2.707 275 HG21 ILE 40 HG21 ILE 40 -6.179 8.507 -0.471 276 HG22 ILE 40 HG22 ILE 40 -7.798 8.011 0.018 277 HG23 ILE 40 HG23 ILE 40 -6.680 8.713 1.204 278 HD11 ILE 40 HD11 ILE 40 -8.536 4.741 1.460 279 HD12 ILE 40 HD12 ILE 40 -8.897 5.858 2.775 280 HD13 ILE 40 HD13 ILE 40 -8.941 6.447 1.118 281 H ILE 41 H ILE 41 -7.985 3.906 -0.559 282 HA ILE 41 HA ILE 41 -9.804 5.690 -2.088 283 HB ILE 41 HB ILE 41 -8.953 4.066 -3.606 284 HG12 ILE 41 HG12 ILE 41 -11.016 3.000 -4.405 285 HG13 ILE 41 HG13 ILE 41 -11.858 3.496 -2.935 286 HG21 ILE 41 HG21 ILE 41 -9.348 2.131 -1.420 287 HG22 ILE 41 HG22 ILE 41 -9.922 1.559 -2.982 288 HG23 ILE 41 HG23 ILE 41 -8.242 2.141 -2.798 289 HD11 ILE 41 HD11 ILE 41 -12.219 4.996 -4.922 290 HD12 ILE 41 HD12 ILE 41 -11.545 5.863 -3.532 291 HD13 ILE 41 HD13 ILE 41 -10.499 5.408 -4.898 292 H ASN 42 H ASN 42 -11.685 6.078 -1.368 293 HA ASN 42 HA ASN 42 -13.312 4.328 0.278 294 HB2 ASN 42 HB2 ASN 42 -13.573 5.853 2.148 295 HB3 ASN 42 HB3 ASN 42 -11.887 5.413 2.016 296 HD21 ASN 42 HD21 ASN 42 -12.914 7.640 3.495 297 HD22 ASN 42 HD22 ASN 42 -12.284 9.085 2.714 298 H ASP 43 H ASP 43 -15.561 5.227 0.521 299 HA ASP 43 HA ASP 43 -16.184 7.522 -1.322 300 HB2 ASP 43 HB2 ASP 43 -17.925 5.280 -0.313 301 HB3 ASP 43 HB3 ASP 43 -18.580 6.801 -0.919 302 H ARG 44 H ARG 44 -15.652 9.261 -0.101 303 HA ARG 44 HA ARG 44 -15.957 9.482 2.714 304 HB2 ARG 44 HB2 ARG 44 -15.306 11.737 2.489 305 HB3 ARG 44 HB3 ARG 44 -14.480 10.859 1.223 306 HG2 ARG 44 HG2 ARG 44 -15.128 12.612 -0.050 307 HG3 ARG 44 HG3 ARG 44 -16.616 11.700 -0.226 308 HD2 ARG 44 HD2 ARG 44 -17.330 13.034 1.960 309 HD3 ARG 44 HD3 ARG 44 -16.030 14.127 1.500 310 HE ARG 44 HE ARG 44 -18.660 14.100 0.484 311 HH11 ARG 44 HH11 ARG 44 -15.448 14.411 -1.067 312 HH12 ARG 44 HH12 ARG 44 -16.200 15.252 -2.399 313 HH21 ARG 44 HH21 ARG 44 -19.369 15.103 -1.323 314 HH22 ARG 44 HH22 ARG 44 -18.191 15.655 -2.518 315 H GLU 45 H GLU 45 -18.273 10.227 0.152 316 HA GLU 45 HA GLU 45 -20.039 11.741 1.814 317 HB2 GLU 45 HB2 GLU 45 -19.806 11.492 -0.839 318 HB3 GLU 45 HB3 GLU 45 -21.055 10.270 -0.603 319 HG2 GLU 45 HG2 GLU 45 -22.220 12.259 -1.067 320 HG3 GLU 45 HG3 GLU 45 -22.361 12.112 0.690 321 H THR 46 H THR 46 -19.807 8.257 1.316 322 HA THR 46 HA THR 46 -22.124 7.798 3.139 323 HB THR 46 HB THR 46 -21.920 5.428 2.389 324 HG1 THR 46 HG1 THR 46 -20.620 5.420 0.283 325 HG21 THR 46 HG21 THR 46 -23.464 7.024 1.239 326 HG22 THR 46 HG22 THR 46 -22.851 5.745 0.184 327 HG23 THR 46 HG23 THR 46 -22.180 7.387 0.065 328 H GLY 47 H GLY 47 -18.881 8.298 3.429 329 HA2 GLY 47 HA2 GLY 47 -17.377 7.958 5.129 330 HA3 GLY 47 HA3 GLY 47 -18.664 7.231 6.101 331 H ARG 48 H ARG 48 -18.098 5.796 3.001 332 HA ARG 48 HA ARG 48 -17.631 3.194 4.273 333 HB2 ARG 48 HB2 ARG 48 -19.349 3.507 2.588 334 HB3 ARG 48 HB3 ARG 48 -18.166 4.158 1.468 335 HG2 ARG 48 HG2 ARG 48 -17.054 1.903 1.356 336 HG3 ARG 48 HG3 ARG 48 -18.359 1.264 2.389 337 HD2 ARG 48 HD2 ARG 48 -20.027 2.052 0.700 338 HD3 ARG 48 HD3 ARG 48 -18.706 2.739 -0.254 339 HE ARG 48 HE ARG 48 -18.257 0.685 -1.163 340 HH11 ARG 48 HH11 ARG 48 -20.228 -0.045 1.689 341 HH12 ARG 48 HH12 ARG 48 -20.414 -1.709 1.172 342 HH21 ARG 48 HH21 ARG 48 -18.761 -1.271 -1.795 343 HH22 ARG 48 HH22 ARG 48 -19.760 -2.358 -0.840 344 H SER 49 H SER 49 -15.617 2.482 4.725 345 HA SER 49 HA SER 49 -13.279 3.262 3.191 346 HB2 SER 49 HB2 SER 49 -12.092 1.603 4.495 347 HB3 SER 49 HB3 SER 49 -13.143 2.542 5.559 348 HG SER 49 HG SER 49 -13.011 -0.002 5.444 349 H ARG 50 H ARG 50 -12.196 2.136 1.607 350 HA ARG 50 HA ARG 50 -13.263 -0.551 0.743 351 HB2 ARG 50 HB2 ARG 50 -11.432 1.402 -0.683 352 HB3 ARG 50 HB3 ARG 50 -11.572 -0.274 -1.157 353 HG2 ARG 50 HG2 ARG 50 -14.005 1.562 -1.058 354 HG3 ARG 50 HG3 ARG 50 -12.924 1.470 -2.442 355 HD2 ARG 50 HD2 ARG 50 -14.626 0.036 -3.023 356 HD3 ARG 50 HD3 ARG 50 -13.312 -1.029 -2.525 357 HE ARG 50 HE ARG 50 -15.196 -0.446 -0.363 358 HH11 ARG 50 HH11 ARG 50 -14.797 -2.563 -3.165 359 HH12 ARG 50 HH12 ARG 50 -15.952 -3.714 -2.538 360 HH21 ARG 50 HH21 ARG 50 -16.531 -2.051 0.411 361 HH22 ARG 50 HH22 ARG 50 -16.814 -3.472 -0.569 362 H GLY 51 H GLY 51 -10.546 1.283 2.009 363 HA2 GLY 51 HA2 GLY 51 -9.194 0.600 3.728 364 HA3 GLY 51 HA3 GLY 51 -9.870 -1.000 3.707 365 H PHE 52 H PHE 52 -8.477 0.357 0.798 366 HA PHE 52 HA PHE 52 -5.887 -0.945 1.126 367 HB2 PHE 52 HB2 PHE 52 -6.100 -2.135 -1.068 368 HB3 PHE 52 HB3 PHE 52 -7.034 -2.808 0.227 369 HD1 PHE 52 HD2 PHE 52 -7.355 -0.598 -2.801 370 HD2 PHE 52 HD1 PHE 52 -9.327 -3.259 -0.034 371 HE1 PHE 52 HE2 PHE 52 -9.345 -0.678 -4.284 372 HE2 PHE 52 HE1 PHE 52 -11.303 -3.344 -1.523 373 HZ PHE 52 HZ PHE 52 -11.310 -2.064 -3.655 374 H GLY 53 H GLY 53 -4.550 -0.585 -0.846 375 HA2 GLY 53 HA2 GLY 53 -5.027 1.870 -2.391 376 HA3 GLY 53 HA3 GLY 53 -3.816 1.950 -1.098 377 H PHE 54 H PHE 54 -2.720 2.545 -3.179 378 HA PHE 54 HA PHE 54 -1.102 0.204 -4.051 379 HB2 PHE 54 HB2 PHE 54 -1.577 2.765 -5.617 380 HB3 PHE 54 HB3 PHE 54 -0.418 1.515 -6.032 381 HD1 PHE 54 HD2 PHE 54 -1.368 -0.933 -6.304 382 HD2 PHE 54 HD1 PHE 54 -3.711 2.669 -6.652 383 HE1 PHE 54 HE2 PHE 54 -3.053 -2.157 -7.671 384 HE2 PHE 54 HE1 PHE 54 -5.387 1.446 -8.015 385 HZ PHE 54 HZ PHE 54 -5.061 -0.963 -8.525 386 H VAL 55 H VAL 55 1.158 0.609 -4.156 387 HA VAL 55 HA VAL 55 2.193 3.129 -3.056 388 HB VAL 55 HB VAL 55 1.907 1.489 -1.125 389 HG11 VAL 55 HG11 VAL 55 3.475 -0.304 -0.823 390 HG12 VAL 55 HG12 VAL 55 2.545 -0.578 -2.309 391 HG13 VAL 55 HG13 VAL 55 4.220 0.005 -2.405 392 HG21 VAL 55 HG21 VAL 55 4.066 2.029 -0.142 393 HG22 VAL 55 HG22 VAL 55 4.780 2.309 -1.739 394 HG23 VAL 55 HG23 VAL 55 3.526 3.407 -1.117 395 H SER 56 H SER 56 4.175 3.731 -3.973 396 HA SER 56 HA SER 56 5.612 1.703 -5.588 397 HB2 SER 56 HB2 SER 56 5.784 3.083 -7.521 398 HB3 SER 56 HB3 SER 56 4.058 2.944 -7.113 399 HG SER 56 HG SER 56 4.837 5.114 -7.618 400 H PHE 57 H PHE 57 7.732 2.129 -6.143 401 HA PHE 57 HA PHE 57 9.144 3.933 -4.214 402 HB2 PHE 57 HB2 PHE 57 9.812 1.102 -5.074 403 HB3 PHE 57 HB3 PHE 57 10.833 2.105 -4.066 404 HD1 PHE 57 HD2 PHE 57 7.555 0.318 -4.166 405 HD2 PHE 57 HD1 PHE 57 10.462 2.350 -1.712 406 HE1 PHE 57 HE2 PHE 57 6.480 -0.601 -2.128 407 HE2 PHE 57 HE1 PHE 57 9.378 1.435 0.326 408 HZ PHE 57 HZ PHE 57 7.393 -0.052 0.117 409 H SER 58 H SER 58 11.279 4.550 -4.719 410 HA SER 58 HA SER 58 11.877 5.209 -7.477 411 HB2 SER 58 HB2 SER 58 12.358 6.586 -5.429 412 HB3 SER 58 HB3 SER 58 13.624 5.428 -5.003 413 HG SER 58 HG SER 58 14.167 7.425 -6.173 414 H ASN 59 H ASN 59 12.731 2.504 -5.439 415 HA ASN 59 HA ASN 59 14.389 1.357 -7.627 416 HB2 ASN 59 HB2 ASN 59 15.039 1.149 -4.655 417 HB3 ASN 59 HB3 ASN 59 15.864 0.306 -5.971 418 HD21 ASN 59 HD21 ASN 59 16.979 1.762 -7.638 419 HD22 ASN 59 HD22 ASN 59 17.628 3.283 -7.000 420 H GLU 60 H GLU 60 14.353 -0.811 -7.853 421 HA GLU 60 HA GLU 60 12.071 -2.379 -7.010 422 HB2 GLU 60 HB2 GLU 60 13.827 -4.211 -7.915 423 HB3 GLU 60 HB3 GLU 60 12.752 -3.287 -8.942 424 HG2 GLU 60 HG2 GLU 60 14.908 -3.394 -9.949 425 HG3 GLU 60 HG3 GLU 60 14.640 -1.731 -9.469 426 H GLN 61 H GLN 61 15.427 -2.135 -5.888 427 HA GLN 61 HA GLN 61 15.668 -4.264 -4.102 428 HB2 GLN 61 HB2 GLN 61 16.542 -1.351 -3.896 429 HB3 GLN 61 HB3 GLN 61 17.080 -2.575 -2.757 430 HG2 GLN 61 HG2 GLN 61 18.490 -3.615 -4.252 431 HG3 GLN 61 HG3 GLN 61 17.537 -3.151 -5.660 432 HE21 GLN 61 HE21 GLN 61 17.965 -1.264 -6.727 433 HE22 GLN 61 HE22 GLN 61 19.281 -0.183 -6.274 434 H ALA 62 H ALA 62 14.131 -1.098 -3.461 435 HA ALA 62 HA ALA 62 13.528 -1.675 -0.686 436 HB1 ALA 62 HB1 ALA 62 12.333 0.484 -0.833 437 HB2 ALA 62 HB2 ALA 62 13.973 0.597 -1.510 438 HB3 ALA 62 HB3 ALA 62 12.565 0.512 -2.593 439 H MET 63 H MET 63 11.577 -1.538 -3.705 440 HA MET 63 HA MET 63 9.065 -2.033 -2.532 441 HB2 MET 63 HB2 MET 63 9.500 -1.214 -4.833 442 HB3 MET 63 HB3 MET 63 10.070 -2.805 -5.318 443 HG2 MET 63 HG2 MET 63 7.303 -2.432 -4.139 444 HG3 MET 63 HG3 MET 63 7.606 -2.030 -5.821 445 HE1 MET 63 HE1 MET 63 8.200 -5.394 -7.595 446 HE2 MET 63 HE2 MET 63 7.781 -3.682 -7.779 447 HE3 MET 63 HE3 MET 63 9.382 -4.147 -7.152 448 H GLN 64 H GLN 64 11.413 -4.459 -3.794 449 HA GLN 64 HA GLN 64 9.571 -6.646 -3.200 450 HB2 GLN 64 HB2 GLN 64 12.459 -6.587 -4.114 451 HB3 GLN 64 HB3 GLN 64 11.541 -8.069 -3.881 452 HG2 GLN 64 HG2 GLN 64 10.656 -5.871 -5.802 453 HG3 GLN 64 HG3 GLN 64 11.694 -7.208 -6.255 454 HE21 GLN 64 HE21 GLN 64 9.768 -7.384 -7.895 455 HE22 GLN 64 HE22 GLN 64 8.547 -8.508 -7.359 456 H ASP 65 H ASP 65 12.427 -5.240 -1.465 457 HA ASP 65 HA ASP 65 12.358 -7.346 0.551 458 HB2 ASP 65 HB2 ASP 65 14.360 -5.930 0.062 459 HB3 ASP 65 HB3 ASP 65 13.517 -4.549 0.777 460 H ALA 66 H ALA 66 10.637 -4.261 0.112 461 HA ALA 66 HA ALA 66 9.435 -4.265 2.749 462 HB1 ALA 66 HB1 ALA 66 7.917 -2.595 1.784 463 HB2 ALA 66 HB2 ALA 66 9.592 -2.242 1.357 464 HB3 ALA 66 HB3 ALA 66 8.510 -2.965 0.150 465 H ILE 67 H ILE 67 8.130 -5.277 -0.456 466 HA ILE 67 HA ILE 67 5.741 -6.456 0.431 467 HB ILE 67 HB ILE 67 7.533 -6.887 -1.965 468 HG12 ILE 67 HG12 ILE 67 6.210 -4.746 -1.677 469 HG13 ILE 67 HG13 ILE 67 5.928 -5.619 -3.174 470 HG21 ILE 67 HG21 ILE 67 5.679 -8.140 -3.083 471 HG22 ILE 67 HG22 ILE 67 6.513 -9.041 -1.820 472 HG23 ILE 67 HG23 ILE 67 4.913 -8.349 -1.488 473 HD11 ILE 67 HD11 ILE 67 3.776 -6.393 -2.433 474 HD12 ILE 67 HD12 ILE 67 4.072 -5.830 -0.767 475 HD13 ILE 67 HD13 ILE 67 3.859 -4.665 -2.067 476 H GLU 68 H GLU 68 8.939 -8.058 0.129 477 HA GLU 68 HA GLU 68 8.200 -10.664 0.872 478 HB2 GLU 68 HB2 GLU 68 10.412 -9.891 0.034 479 HB3 GLU 68 HB3 GLU 68 10.739 -9.141 1.606 480 HG2 GLU 68 HG2 GLU 68 10.526 -11.466 2.611 481 HG3 GLU 68 HG3 GLU 68 10.410 -12.103 0.969 482 H GLY 69 H GLY 69 8.564 -7.818 2.943 483 HA2 GLY 69 HA2 GLY 69 8.188 -9.300 5.474 484 HA3 GLY 69 HA3 GLY 69 8.371 -7.558 5.258 485 H MET 70 H MET 70 6.311 -6.969 3.441 486 HA MET 70 HA MET 70 4.077 -6.578 5.110 487 HB2 MET 70 HB2 MET 70 4.197 -6.773 2.072 488 HB3 MET 70 HB3 MET 70 2.774 -6.230 2.947 489 HG2 MET 70 HG2 MET 70 4.286 -4.371 3.928 490 HG3 MET 70 HG3 MET 70 5.504 -4.893 2.762 491 HE1 MET 70 HE1 MET 70 5.873 -3.419 0.730 492 HE2 MET 70 HE2 MET 70 4.804 -2.023 0.473 493 HE3 MET 70 HE3 MET 70 5.542 -2.290 2.069 494 H ASN 71 H ASN 71 4.667 -9.231 2.844 495 HA ASN 71 HA ASN 71 2.074 -10.398 2.811 496 HB2 ASN 71 HB2 ASN 71 3.977 -10.673 1.183 497 HB3 ASN 71 HB3 ASN 71 4.844 -11.604 2.390 498 HD21 ASN 71 HD21 ASN 71 4.754 -12.980 0.322 499 HD22 ASN 71 HD22 ASN 71 3.415 -14.103 0.196 500 H GLY 72 H GLY 72 1.223 -10.503 4.868 501 HA2 GLY 72 HA2 GLY 72 0.525 -12.145 6.492 502 HA3 GLY 72 HA3 GLY 72 2.152 -12.803 6.553 503 H LYS 73 H LYS 73 1.940 -9.276 6.727 504 HA LYS 73 HA LYS 73 2.611 -9.373 9.627 505 HB2 LYS 73 HB2 LYS 73 2.827 -7.346 7.431 506 HB3 LYS 73 HB3 LYS 73 2.663 -6.708 9.072 507 HG2 LYS 73 HG2 LYS 73 4.581 -8.092 9.805 508 HG3 LYS 73 HG3 LYS 73 4.726 -8.775 8.176 509 HD2 LYS 73 HD2 LYS 73 5.079 -6.433 7.290 510 HD3 LYS 73 HD3 LYS 73 5.011 -5.846 8.965 511 HE2 LYS 73 HE2 LYS 73 6.917 -7.474 9.477 512 HE3 LYS 73 HE3 LYS 73 7.032 -7.776 7.744 513 HZ1 LYS 73 HZ1 LYS 73 8.573 -6.045 8.404 514 HZ2 LYS 73 HZ2 LYS 73 7.345 -5.134 9.060 515 HZ3 LYS 73 HZ3 LYS 73 7.427 -5.381 7.439 516 H GLU 74 H GLU 74 1.682 -7.884 11.133 517 HA GLU 74 HA GLU 74 -1.166 -7.139 10.669 518 HB2 GLU 74 HB2 GLU 74 -0.793 -8.392 12.771 519 HB3 GLU 74 HB3 GLU 74 0.416 -7.207 13.253 520 HG2 GLU 74 HG2 GLU 74 -1.471 -5.441 13.075 521 HG3 GLU 74 HG3 GLU 74 -2.583 -6.801 12.960 522 H LEU 75 H LEU 75 -1.537 -4.985 10.279 523 HA LEU 75 HA LEU 75 0.468 -2.959 11.012 524 HB2 LEU 75 HB2 LEU 75 0.880 -3.964 8.638 525 HB3 LEU 75 HB3 LEU 75 -0.575 -3.093 8.164 526 HG LEU 75 HG LEU 75 0.578 -0.960 9.035 527 HD11 LEU 75 HD11 LEU 75 3.097 -1.108 9.139 528 HD12 LEU 75 HD12 LEU 75 2.955 -2.884 9.097 529 HD13 LEU 75 HD13 LEU 75 2.312 -1.957 10.467 530 HD21 LEU 75 HD21 LEU 75 1.994 -0.737 7.031 531 HD22 LEU 75 HD22 LEU 75 0.464 -1.535 6.634 532 HD23 LEU 75 HD23 LEU 75 1.954 -2.497 6.794 533 H ASP 76 H ASP 76 -0.438 -1.109 11.614 534 HA ASP 76 HA ASP 76 -2.013 -0.015 12.740 535 HB2 ASP 76 HB2 ASP 76 -2.243 1.056 10.517 536 HB3 ASP 76 HB3 ASP 76 -3.617 0.007 10.160 537 H GLY 77 H GLY 77 -2.098 -2.786 13.148 538 HA2 GLY 77 HA2 GLY 77 -3.345 -4.209 14.506 539 HA3 GLY 77 HA3 GLY 77 -4.650 -3.022 14.545 540 H ARG 78 H ARG 78 -3.738 -3.853 11.352 541 HA ARG 78 HA ARG 78 -6.037 -5.757 10.998 542 HB2 ARG 78 HB2 ARG 78 -4.928 -3.535 9.256 543 HB3 ARG 78 HB3 ARG 78 -6.114 -4.687 8.693 544 HG2 ARG 78 HG2 ARG 78 -6.876 -3.280 11.220 545 HG3 ARG 78 HG3 ARG 78 -6.623 -2.209 9.852 546 HD2 ARG 78 HD2 ARG 78 -8.483 -4.616 9.791 547 HD3 ARG 78 HD3 ARG 78 -8.982 -2.984 10.186 548 HE ARG 78 HE ARG 78 -8.500 -2.238 7.951 549 HH11 ARG 78 HH11 ARG 78 -8.127 -5.757 8.162 550 HH12 ARG 78 HH12 ARG 78 -8.334 -5.913 6.433 551 HH21 ARG 78 HH21 ARG 78 -8.824 -2.573 5.868 552 HH22 ARG 78 HH22 ARG 78 -8.841 -4.203 5.198 553 H SER 79 H SER 79 -5.777 -7.352 9.323 554 HA SER 79 HA SER 79 -3.006 -8.344 9.105 555 HB2 SER 79 HB2 SER 79 -5.609 -9.441 7.997 556 HB3 SER 79 HB3 SER 79 -4.030 -10.243 7.899 557 HG SER 79 HG SER 79 -3.944 -10.272 10.173 558 H ILE 80 H ILE 80 -1.689 -7.297 7.732 559 HA ILE 80 HA ILE 80 -2.685 -6.096 5.306 560 HB ILE 80 HB ILE 80 -1.030 -4.821 6.258 561 HG12 ILE 80 HG12 ILE 80 0.416 -6.244 3.998 562 HG13 ILE 80 HG13 ILE 80 -0.925 -5.114 3.757 563 HG21 ILE 80 HG21 ILE 80 0.034 -6.271 7.767 564 HG22 ILE 80 HG22 ILE 80 0.680 -7.295 6.455 565 HG23 ILE 80 HG23 ILE 80 1.296 -5.648 6.729 566 HD11 ILE 80 HD11 ILE 80 0.390 -3.316 4.832 567 HD12 ILE 80 HD12 ILE 80 1.776 -4.430 4.982 568 HD13 ILE 80 HD13 ILE 80 1.172 -3.986 3.386 569 H VAL 81 H VAL 81 -2.584 -6.691 3.268 570 HA VAL 81 HA VAL 81 -1.377 -9.310 2.486 571 HB VAL 81 HB VAL 81 -4.245 -8.431 1.982 572 HG11 VAL 81 HG11 VAL 81 -4.504 -10.570 0.746 573 HG12 VAL 81 HG12 VAL 81 -3.414 -9.463 -0.081 574 HG13 VAL 81 HG13 VAL 81 -2.750 -10.833 0.842 575 HG21 VAL 81 HG21 VAL 81 -3.929 -9.504 4.170 576 HG22 VAL 81 HG22 VAL 81 -4.758 -10.626 3.092 577 HG23 VAL 81 HG23 VAL 81 -3.019 -10.829 3.420 578 H VAL 82 H VAL 82 -0.601 -9.373 0.408 579 HA VAL 82 HA VAL 82 -0.416 -6.730 -0.966 580 HB VAL 82 HB VAL 82 1.965 -7.012 -1.183 581 HG11 VAL 82 HG11 VAL 82 2.355 -5.935 0.835 582 HG12 VAL 82 HG12 VAL 82 0.718 -5.504 0.402 583 HG13 VAL 82 HG13 VAL 82 0.988 -6.735 1.668 584 HG21 VAL 82 HG21 VAL 82 3.203 -8.313 0.482 585 HG22 VAL 82 HG22 VAL 82 1.692 -9.035 1.072 586 HG23 VAL 82 HG23 VAL 82 2.278 -9.392 -0.567 587 H ASN 83 H ASN 83 0.116 -6.717 -3.141 588 HA ASN 83 HA ASN 83 1.588 -8.852 -4.293 589 HB2 ASN 83 HB2 ASN 83 0.140 -9.424 -6.190 590 HB3 ASN 83 HB3 ASN 83 -0.560 -9.946 -4.671 591 HD21 ASN 83 HD21 ASN 83 -0.786 -7.433 -7.216 592 HD22 ASN 83 HD22 ASN 83 -2.509 -7.180 -6.926 593 H GLU 84 H GLU 84 2.489 -8.296 -6.383 594 HA GLU 84 HA GLU 84 2.923 -5.550 -6.938 595 HB2 GLU 84 HB2 GLU 84 3.979 -6.312 -9.004 596 HB3 GLU 84 HB3 GLU 84 4.483 -7.196 -7.579 597 HG2 GLU 84 HG2 GLU 84 4.274 -8.828 -9.248 598 HG3 GLU 84 HG3 GLU 84 2.875 -9.055 -8.206 599 H ALA 85 H ALA 85 2.325 -4.185 -8.636 600 HA ALA 85 HA ALA 85 -0.375 -4.697 -9.820 601 HB1 ALA 85 HB1 ALA 85 -0.452 -3.087 -7.969 602 HB2 ALA 85 HB2 ALA 85 0.787 -2.090 -8.771 603 HB3 ALA 85 HB3 ALA 85 -0.806 -2.305 -9.520 604 H GLN 86 H GLN 86 2.927 -3.970 -10.532 605 HA GLN 86 HA GLN 86 2.664 -2.503 -12.927 606 HB2 GLN 86 HB2 GLN 86 4.923 -3.286 -13.459 607 HB3 GLN 86 HB3 GLN 86 4.745 -2.709 -11.814 608 HG2 GLN 86 HG2 GLN 86 6.152 -4.554 -11.620 609 HG3 GLN 86 HG3 GLN 86 4.605 -5.155 -11.060 610 HE21 GLN 86 HE21 GLN 86 3.862 -7.099 -12.036 611 HE22 GLN 86 HE22 GLN 86 4.585 -7.724 -13.533 612 H SER 87 H SER 87 1.904 -5.893 -12.421 613 HA SER 87 HA SER 87 1.874 -6.701 -15.180 614 HB2 SER 87 HB2 SER 87 0.328 -8.476 -14.276 615 HB3 SER 87 HB3 SER 87 1.908 -8.372 -13.479 616 HG SER 87 HG SER 87 1.023 -7.667 -11.717 617 H ARG 88 H ARG 88 -0.454 -4.833 -13.286 618 HA ARG 88 HA ARG 88 -2.591 -5.126 -15.320 619 HB2 ARG 88 HB2 ARG 88 -3.011 -5.143 -12.806 620 HB3 ARG 88 HB3 ARG 88 -2.573 -3.434 -12.786 621 HG2 ARG 88 HG2 ARG 88 -4.458 -3.013 -14.427 622 HG3 ARG 88 HG3 ARG 88 -4.913 -4.706 -14.294 623 HD2 ARG 88 HD2 ARG 88 -4.802 -2.727 -11.970 624 HD3 ARG 88 HD3 ARG 88 -6.252 -3.057 -12.922 625 HE ARG 88 HE ARG 88 -5.593 -5.567 -12.107 626 HH11 ARG 88 HH11 ARG 88 -6.549 -2.615 -10.430 627 HH12 ARG 88 HH12 ARG 88 -6.875 -3.521 -8.958 628 HH21 ARG 88 HH21 ARG 88 -6.257 -6.572 -10.141 629 HH22 ARG 88 HH22 ARG 88 -6.807 -5.513 -8.848 630 H GLY 89 H GLY 89 -0.021 -2.937 -14.569 631 HA2 GLY 89 HA2 GLY 89 -1.165 -0.524 -15.688 632 HA3 GLY 89 HA3 GLY 89 0.500 -0.775 -15.184 633 H TYR 90 H TYR 90 0.415 0.784 -17.152 634 HA TYR 90 HA TYR 90 0.631 -0.624 -19.765 635 HB2 TYR 90 HB2 TYR 90 0.698 2.301 -18.974 636 HB3 TYR 90 HB3 TYR 90 1.093 1.732 -20.585 637 HD1 TYR 90 HD1 TYR 90 -1.680 1.781 -18.049 638 HD2 TYR 90 HD2 TYR 90 -0.591 1.297 -22.197 639 HE1 TYR 90 HE1 TYR 90 -4.088 1.803 -18.688 640 HE2 TYR 90 HE2 TYR 90 -2.989 1.375 -22.833 641 HH TYR 90 HH TYR 90 -5.137 1.620 -22.111 642 H GLY 91 H GLY 91 2.512 -1.077 -20.775 643 HA2 GLY 91 HA2 GLY 91 4.904 -1.246 -19.203 644 HA3 GLY 91 HA3 GLY 91 4.698 -1.726 -20.887 645 H GLY 92 H GLY 92 7.075 -0.883 -20.303 646 HA2 GLY 92 HA2 GLY 92 7.511 1.986 -20.661 647 HA3 GLY 92 HA3 GLY 92 8.719 0.714 -20.516 Start of MODEL 20 1 H1 MET 1 H1 MET 1 12.133 -8.201 -13.092 2 H2 MET 1 H2 MET 1 11.719 -6.819 -13.892 3 H3 MET 1 H3 MET 1 13.253 -7.023 -13.351 4 HA MET 1 HA MET 1 13.698 -8.765 -14.879 5 HB2 MET 1 HB2 MET 1 10.787 -8.371 -15.664 6 HB3 MET 1 HB3 MET 1 11.966 -9.228 -16.667 7 HG2 MET 1 HG2 MET 1 12.372 -10.867 -14.899 8 HG3 MET 1 HG3 MET 1 11.180 -10.074 -13.860 9 HE1 MET 1 HE1 MET 1 11.208 -13.219 -14.768 10 HE2 MET 1 HE2 MET 1 10.016 -12.541 -13.632 11 HE3 MET 1 HE3 MET 1 9.474 -13.481 -15.037 12 H ALA 2 H ALA 2 11.645 -7.144 -17.121 13 HA ALA 2 HA ALA 2 13.479 -4.815 -17.357 14 HB1 ALA 2 HB1 ALA 2 14.040 -6.455 -19.089 15 HB2 ALA 2 HB2 ALA 2 12.347 -6.507 -19.627 16 HB3 ALA 2 HB3 ALA 2 13.303 -5.015 -19.794 17 H GLU 3 H GLU 3 12.104 -3.591 -16.176 18 HA GLU 3 HA GLU 3 9.269 -3.171 -16.934 19 HB2 GLU 3 HB2 GLU 3 10.974 -2.146 -14.641 20 HB3 GLU 3 HB3 GLU 3 9.307 -1.665 -14.922 21 HG2 GLU 3 HG2 GLU 3 9.322 -3.363 -13.230 22 HG3 GLU 3 HG3 GLU 3 8.556 -4.001 -14.676 23 H SER 4 H SER 4 9.700 -2.321 -19.031 24 HA SER 4 HA SER 4 11.241 -0.098 -19.694 25 HB2 SER 4 HB2 SER 4 8.619 -0.363 -21.074 26 HB3 SER 4 HB3 SER 4 10.243 -0.218 -21.755 27 HG SER 4 HG SER 4 9.469 -2.288 -22.169 28 H ASP 5 H ASP 5 10.521 2.100 -20.355 29 HA ASP 5 HA ASP 5 9.782 3.568 -18.154 30 HB2 ASP 5 HB2 ASP 5 9.398 4.364 -21.064 31 HB3 ASP 5 HB3 ASP 5 9.398 5.476 -19.699 32 H GLY 6 H GLY 6 7.372 2.254 -20.417 33 HA2 GLY 6 HA2 GLY 6 5.120 3.801 -19.442 34 HA3 GLY 6 HA3 GLY 6 5.087 2.300 -20.374 35 H ALA 7 H ALA 7 6.761 0.985 -18.175 36 HA ALA 7 HA ALA 7 4.575 0.353 -16.254 37 HB1 ALA 7 HB1 ALA 7 7.114 -1.162 -16.979 38 HB2 ALA 7 HB2 ALA 7 5.894 -1.679 -15.796 39 HB3 ALA 7 HB3 ALA 7 5.467 -1.562 -17.518 40 H GLU 8 H GLU 8 5.154 0.135 -13.992 41 HA GLU 8 HA GLU 8 7.520 1.692 -13.133 42 HB2 GLU 8 HB2 GLU 8 6.148 3.068 -11.656 43 HB3 GLU 8 HB3 GLU 8 5.784 3.362 -13.340 44 HG2 GLU 8 HG2 GLU 8 4.058 1.436 -11.748 45 HG3 GLU 8 HG3 GLU 8 3.905 3.161 -11.493 46 H TYR 9 H TYR 9 7.979 1.624 -10.837 47 HA TYR 9 HA TYR 9 7.747 -1.176 -9.967 48 HB2 TYR 9 HB2 TYR 9 9.398 1.117 -8.861 49 HB3 TYR 9 HB3 TYR 9 9.555 -0.583 -8.445 50 HD1 TYR 9 HD1 TYR 9 10.041 -2.232 -10.449 51 HD2 TYR 9 HD2 TYR 9 10.704 2.023 -10.629 52 HE1 TYR 9 HE1 TYR 9 11.713 -2.562 -12.267 53 HE2 TYR 9 HE2 TYR 9 12.355 1.689 -12.464 54 HH TYR 9 HH TYR 9 13.405 0.160 -13.850 55 H ARG 10 H ARG 10 5.531 -1.058 -9.531 56 HA ARG 10 HA ARG 10 4.694 0.257 -6.970 57 HB2 ARG 10 HB2 ARG 10 3.962 1.434 -9.027 58 HB3 ARG 10 HB3 ARG 10 3.203 -0.047 -9.614 59 HG2 ARG 10 HG2 ARG 10 1.634 -0.010 -7.693 60 HG3 ARG 10 HG3 ARG 10 2.371 1.492 -7.107 61 HD2 ARG 10 HD2 ARG 10 1.024 1.112 -9.808 62 HD3 ARG 10 HD3 ARG 10 0.246 1.812 -8.392 63 HE ARG 10 HE ARG 10 2.255 3.528 -8.546 64 HH11 ARG 10 HH11 ARG 10 0.588 2.261 -11.398 65 HH12 ARG 10 HH12 ARG 10 0.743 3.810 -12.205 66 HH21 ARG 10 HH21 ARG 10 2.488 5.336 -9.693 67 HH22 ARG 10 HH22 ARG 10 1.823 5.480 -11.292 68 H CYS 11 H CYS 11 3.284 -0.816 -5.628 69 HA CYS 11 HA CYS 11 2.180 -3.417 -6.514 70 HB2 CYS 11 HB2 CYS 11 2.863 -4.652 -4.681 71 HB3 CYS 11 HB3 CYS 11 4.302 -3.752 -5.145 72 HG CYS 11 HG CYS 11 2.103 -3.151 -2.725 73 H PHE 12 H PHE 12 0.369 -4.157 -5.364 74 HA PHE 12 HA PHE 12 -1.435 -2.039 -4.353 75 HB2 PHE 12 HB2 PHE 12 -2.028 -3.608 -6.233 76 HB3 PHE 12 HB3 PHE 12 -1.932 -4.939 -5.094 77 HD1 PHE 12 HD1 PHE 12 -3.584 -1.515 -5.130 78 HD2 PHE 12 HD2 PHE 12 -4.065 -5.779 -4.683 79 HE1 PHE 12 HE1 PHE 12 -6.024 -1.213 -4.859 80 HE2 PHE 12 HE2 PHE 12 -6.515 -5.470 -4.412 81 HZ PHE 12 HZ PHE 12 -7.498 -3.183 -4.507 82 H VAL 13 H VAL 13 -2.316 -2.119 -2.323 83 HA VAL 13 HA VAL 13 -1.088 -3.905 -0.248 84 HB VAL 13 HB VAL 13 -1.238 -0.847 -0.231 85 HG11 VAL 13 HG11 VAL 13 0.061 -2.769 1.738 86 HG12 VAL 13 HG12 VAL 13 0.191 -0.994 1.779 87 HG13 VAL 13 HG13 VAL 13 -1.376 -1.756 2.041 88 HG21 VAL 13 HG21 VAL 13 1.217 -2.613 -0.557 89 HG22 VAL 13 HG22 VAL 13 0.550 -1.478 -1.760 90 HG23 VAL 13 HG23 VAL 13 1.228 -0.857 -0.254 91 H GLY 14 H GLY 14 -2.589 -4.404 1.455 92 HA2 GLY 14 HA2 GLY 14 -4.688 -2.401 1.995 93 HA3 GLY 14 HA3 GLY 14 -5.303 -3.911 1.383 94 H SER 15 H SER 15 -4.847 -2.139 3.981 95 HA SER 15 HA SER 15 -5.750 -4.238 5.823 96 HB2 SER 15 HB2 SER 15 -4.319 -3.319 7.687 97 HB3 SER 15 HB3 SER 15 -3.399 -4.156 6.445 98 HG SER 15 HG SER 15 -2.751 -1.951 7.290 99 H LEU 16 H LEU 16 -6.356 -1.336 4.397 100 HA LEU 16 HA LEU 16 -6.204 0.419 6.676 101 HB2 LEU 16 HB2 LEU 16 -7.394 1.100 3.985 102 HB3 LEU 16 HB3 LEU 16 -6.760 2.215 5.136 103 HG LEU 16 HG LEU 16 -5.270 0.272 3.339 104 HD11 LEU 16 HD11 LEU 16 -6.174 2.523 2.613 105 HD12 LEU 16 HD12 LEU 16 -4.421 2.288 2.375 106 HD13 LEU 16 HD13 LEU 16 -5.016 3.274 3.727 107 HD21 LEU 16 HD21 LEU 16 -3.161 1.111 4.241 108 HD22 LEU 16 HD22 LEU 16 -4.055 0.238 5.491 109 HD23 LEU 16 HD23 LEU 16 -4.030 2.017 5.500 110 H SER 17 H SER 17 -7.849 1.962 7.154 111 HA SER 17 HA SER 17 -10.591 0.842 7.501 112 HB2 SER 17 HB2 SER 17 -9.110 0.112 9.401 113 HB3 SER 17 HB3 SER 17 -8.763 1.816 9.739 114 HG SER 17 HG SER 17 -11.030 0.285 10.231 115 H TRP 18 H TRP 18 -12.024 2.576 8.442 116 HA TRP 18 HA TRP 18 -12.219 4.886 7.027 117 HB2 TRP 18 HB2 TRP 18 -13.688 5.698 8.753 118 HB3 TRP 18 HB3 TRP 18 -13.899 3.963 8.584 119 HD1 TRP 18 HD1 TRP 18 -13.023 2.425 10.634 120 HE1 TRP 18 HE1 TRP 18 -12.666 2.912 13.129 121 HE3 TRP 18 HE3 TRP 18 -12.879 7.540 10.421 122 HZ2 TRP 18 HZ2 TRP 18 -12.423 5.234 14.813 123 HZ3 TRP 18 HZ3 TRP 18 -12.571 8.862 12.486 124 HH2 TRP 18 HH2 TRP 18 -12.333 7.735 14.692 125 H ASN 19 H ASN 19 -10.150 4.611 9.898 126 HA ASN 19 HA ASN 19 -9.451 7.486 9.781 127 HB2 ASN 19 HB2 ASN 19 -10.087 6.082 11.906 128 HB3 ASN 19 HB3 ASN 19 -8.435 5.475 11.811 129 HD21 ASN 19 HD21 ASN 19 -10.482 8.248 12.460 130 HD22 ASN 19 HD22 ASN 19 -9.196 9.318 12.987 131 H THR 20 H THR 20 -8.121 4.581 8.503 132 HA THR 20 HA THR 20 -5.309 5.548 8.578 133 HB THR 20 HB THR 20 -5.966 3.169 6.926 134 HG1 THR 20 HG1 THR 20 -5.756 2.690 9.673 135 HG21 THR 20 HG21 THR 20 -3.916 2.300 8.024 136 HG22 THR 20 HG22 THR 20 -3.817 3.794 8.985 137 HG23 THR 20 HG23 THR 20 -3.658 3.859 7.219 138 H ASP 21 H ASP 21 -4.253 6.294 6.762 139 HA ASP 21 HA ASP 21 -5.588 5.962 4.185 140 HB2 ASP 21 HB2 ASP 21 -4.676 8.708 5.209 141 HB3 ASP 21 HB3 ASP 21 -5.290 8.388 3.595 142 H ASP 22 H ASP 22 -3.811 7.545 2.637 143 HA ASP 22 HA ASP 22 -1.609 5.888 2.136 144 HB2 ASP 22 HB2 ASP 22 -0.582 8.093 1.182 145 HB3 ASP 22 HB3 ASP 22 -2.028 7.450 0.429 146 H ARG 23 H ARG 23 -1.677 8.682 4.394 147 HA ARG 23 HA ARG 23 1.009 8.858 5.116 148 HB2 ARG 23 HB2 ARG 23 -1.565 9.234 6.671 149 HB3 ARG 23 HB3 ARG 23 -0.019 9.322 7.505 150 HG2 ARG 23 HG2 ARG 23 0.741 11.131 6.012 151 HG3 ARG 23 HG3 ARG 23 -0.843 11.124 5.201 152 HD2 ARG 23 HD2 ARG 23 -1.959 11.637 7.329 153 HD3 ARG 23 HD3 ARG 23 -0.428 11.512 8.205 154 HE ARG 23 HE ARG 23 -0.182 13.539 6.194 155 HH11 ARG 23 HH11 ARG 23 -1.942 13.008 9.189 156 HH12 ARG 23 HH12 ARG 23 -2.041 14.723 9.538 157 HH21 ARG 23 HH21 ARG 23 -0.187 15.723 6.817 158 HH22 ARG 23 HH22 ARG 23 -1.058 16.185 8.260 159 H GLY 24 H GLY 24 -1.259 6.351 6.294 160 HA2 GLY 24 HA2 GLY 24 0.566 5.270 8.253 161 HA3 GLY 24 HA3 GLY 24 -0.895 4.496 7.620 162 H LEU 25 H LEU 25 -0.280 4.202 4.908 163 HA LEU 25 HA LEU 25 1.720 2.066 5.004 164 HB2 LEU 25 HB2 LEU 25 1.246 1.653 2.657 165 HB3 LEU 25 HB3 LEU 25 -0.150 1.604 3.696 166 HG LEU 25 HG LEU 25 -0.766 3.935 2.844 167 HD11 LEU 25 HD11 LEU 25 0.065 4.368 0.483 168 HD12 LEU 25 HD12 LEU 25 1.351 3.183 0.771 169 HD13 LEU 25 HD13 LEU 25 1.272 4.679 1.724 170 HD21 LEU 25 HD21 LEU 25 -1.884 1.840 2.154 171 HD22 LEU 25 HD22 LEU 25 -0.673 1.615 0.871 172 HD23 LEU 25 HD23 LEU 25 -1.793 2.994 0.820 173 H GLU 26 H GLU 26 1.808 5.411 3.939 174 HA GLU 26 HA GLU 26 4.394 5.456 2.736 175 HB2 GLU 26 HB2 GLU 26 2.884 7.324 2.555 176 HB3 GLU 26 HB3 GLU 26 2.735 7.446 4.306 177 HG2 GLU 26 HG2 GLU 26 5.116 8.178 4.459 178 HG3 GLU 26 HG3 GLU 26 5.213 8.124 2.695 179 H ALA 27 H ALA 27 3.458 6.011 6.204 180 HA ALA 27 HA ALA 27 6.135 6.313 7.131 181 HB1 ALA 27 HB1 ALA 27 5.094 5.960 9.358 182 HB2 ALA 27 HB2 ALA 27 4.139 7.067 8.363 183 HB3 ALA 27 HB3 ALA 27 3.608 5.383 8.579 184 H ALA 28 H ALA 28 4.111 3.375 6.817 185 HA ALA 28 HA ALA 28 5.987 1.605 8.053 186 HB1 ALA 28 HB1 ALA 28 3.596 1.147 7.795 187 HB2 ALA 28 HB2 ALA 28 3.783 1.061 6.025 188 HB3 ALA 28 HB3 ALA 28 4.581 -0.143 7.066 189 H PHE 29 H PHE 29 5.583 2.568 4.610 190 HA PHE 29 HA PHE 29 7.744 0.792 3.738 191 HB2 PHE 29 HB2 PHE 29 5.688 1.389 2.394 192 HB3 PHE 29 HB3 PHE 29 6.327 3.014 2.229 193 HD1 PHE 29 HD2 PHE 29 8.541 3.344 0.945 194 HD2 PHE 29 HD1 PHE 29 6.428 -0.414 1.011 195 HE1 PHE 29 HE2 PHE 29 9.862 2.566 -1.000 196 HE2 PHE 29 HE1 PHE 29 7.741 -1.173 -0.956 197 HZ PHE 29 HZ PHE 29 9.491 0.291 -1.929 198 H SER 30 H SER 30 7.624 4.083 4.925 199 HA SER 30 HA SER 30 9.620 5.265 3.527 200 HB2 SER 30 HB2 SER 30 8.157 6.365 5.166 201 HB3 SER 30 HB3 SER 30 9.025 5.585 6.499 202 HG SER 30 HG SER 30 10.159 7.354 4.573 203 H SER 31 H SER 31 10.232 2.737 5.850 204 HA SER 31 HA SER 31 13.115 3.303 6.165 205 HB2 SER 31 HB2 SER 31 13.032 1.003 7.304 206 HB3 SER 31 HB3 SER 31 12.208 2.357 8.084 207 HG SER 31 HG SER 31 10.314 1.550 7.644 208 H PHE 32 H PHE 32 11.132 1.620 3.905 209 HA PHE 32 HA PHE 32 13.362 0.038 2.758 210 HB2 PHE 32 HB2 PHE 32 10.403 0.189 2.054 211 HB3 PHE 32 HB3 PHE 32 11.586 -0.799 1.228 212 HD1 PHE 32 HD2 PHE 32 9.733 -0.369 4.429 213 HD2 PHE 32 HD1 PHE 32 12.362 -2.899 2.129 214 HE1 PHE 32 HE2 PHE 32 9.288 -2.248 5.985 215 HE2 PHE 32 HE1 PHE 32 11.925 -4.772 3.700 216 HZ PHE 32 HZ PHE 32 10.387 -4.453 5.627 217 H GLY 33 H GLY 33 11.468 3.026 2.097 218 HA2 GLY 33 HA2 GLY 33 13.509 3.921 0.270 219 HA3 GLY 33 HA3 GLY 33 12.137 3.305 -0.631 220 H GLU 34 H GLU 34 12.505 5.611 -1.344 221 HA GLU 34 HA GLU 34 10.931 7.589 0.241 222 HB2 GLU 34 HB2 GLU 34 13.009 7.995 -1.916 223 HB3 GLU 34 HB3 GLU 34 12.113 9.294 -1.146 224 HG2 GLU 34 HG2 GLU 34 13.912 7.363 0.402 225 HG3 GLU 34 HG3 GLU 34 14.482 8.842 -0.339 226 H ILE 35 H ILE 35 8.998 8.050 -0.410 227 HA ILE 35 HA ILE 35 7.805 6.343 -2.308 228 HB ILE 35 HB ILE 35 6.740 8.724 -0.731 229 HG12 ILE 35 HG12 ILE 35 7.492 6.999 0.771 230 HG13 ILE 35 HG13 ILE 35 5.738 6.973 0.730 231 HG21 ILE 35 HG21 ILE 35 5.149 8.430 -2.508 232 HG22 ILE 35 HG22 ILE 35 5.158 6.666 -2.304 233 HG23 ILE 35 HG23 ILE 35 4.462 7.721 -1.057 234 HD11 ILE 35 HD11 ILE 35 6.451 4.709 0.706 235 HD12 ILE 35 HD12 ILE 35 5.917 5.046 -0.970 236 HD13 ILE 35 HD13 ILE 35 7.648 4.999 -0.561 237 H LEU 36 H LEU 36 7.149 6.455 -4.322 238 HA LEU 36 HA LEU 36 7.060 9.126 -5.671 239 HB2 LEU 36 HB2 LEU 36 7.092 6.357 -6.903 240 HB3 LEU 36 HB3 LEU 36 6.978 7.880 -7.775 241 HG LEU 36 HG LEU 36 9.351 6.829 -6.187 242 HD11 LEU 36 HD11 LEU 36 8.982 7.588 -9.119 243 HD12 LEU 36 HD12 LEU 36 8.984 5.938 -8.476 244 HD13 LEU 36 HD13 LEU 36 10.452 6.922 -8.379 245 HD21 LEU 36 HD21 LEU 36 10.575 8.857 -6.920 246 HD22 LEU 36 HD22 LEU 36 9.285 9.255 -5.796 247 HD23 LEU 36 HD23 LEU 36 9.052 9.551 -7.536 248 H ASP 37 H ASP 37 4.943 6.475 -4.615 249 HA ASP 37 HA ASP 37 2.616 8.213 -5.169 250 HB2 ASP 37 HB2 ASP 37 2.606 5.290 -6.038 251 HB3 ASP 37 HB3 ASP 37 1.286 6.431 -6.148 252 H ALA 38 H ALA 38 0.962 7.930 -3.670 253 HA ALA 38 HA ALA 38 0.751 5.439 -2.156 254 HB1 ALA 38 HB1 ALA 38 2.233 6.789 -0.744 255 HB2 ALA 38 HB2 ALA 38 1.077 8.141 -0.782 256 HB3 ALA 38 HB3 ALA 38 0.646 6.604 0.007 257 H LYS 39 H LYS 39 -1.261 4.907 -2.766 258 HA LYS 39 HA LYS 39 -3.437 6.974 -2.985 259 HB2 LYS 39 HB2 LYS 39 -3.086 5.748 -5.045 260 HB3 LYS 39 HB3 LYS 39 -3.141 4.212 -4.209 261 HG2 LYS 39 HG2 LYS 39 -5.144 4.554 -5.518 262 HG3 LYS 39 HG3 LYS 39 -5.589 4.427 -3.824 263 HD2 LYS 39 HD2 LYS 39 -5.753 6.943 -3.747 264 HD3 LYS 39 HD3 LYS 39 -5.302 7.030 -5.446 265 HE2 LYS 39 HE2 LYS 39 -7.320 6.011 -6.170 266 HE3 LYS 39 HE3 LYS 39 -7.674 5.358 -4.561 267 HZ1 LYS 39 HZ1 LYS 39 -9.040 7.346 -5.123 268 HZ2 LYS 39 HZ2 LYS 39 -7.683 8.267 -5.142 269 HZ3 LYS 39 HZ3 LYS 39 -8.194 7.506 -3.753 270 H ILE 40 H ILE 40 -5.267 6.805 -1.823 271 HA ILE 40 HA ILE 40 -5.811 4.357 -0.222 272 HB ILE 40 HB ILE 40 -5.230 6.469 1.118 273 HG12 ILE 40 HG12 ILE 40 -6.136 4.820 2.387 274 HG13 ILE 40 HG13 ILE 40 -7.107 6.233 2.747 275 HG21 ILE 40 HG21 ILE 40 -7.989 7.434 0.304 276 HG22 ILE 40 HG22 ILE 40 -6.876 8.184 1.461 277 HG23 ILE 40 HG23 ILE 40 -6.447 8.121 -0.248 278 HD11 ILE 40 HD11 ILE 40 -7.937 3.773 1.211 279 HD12 ILE 40 HD12 ILE 40 -8.568 4.388 2.729 280 HD13 ILE 40 HD13 ILE 40 -8.897 5.290 1.236 281 H ILE 41 H ILE 41 -7.866 3.469 -0.745 282 HA ILE 41 HA ILE 41 -9.709 5.242 -2.271 283 HB ILE 41 HB ILE 41 -8.815 3.661 -3.794 284 HG12 ILE 41 HG12 ILE 41 -10.886 2.591 -4.636 285 HG13 ILE 41 HG13 ILE 41 -11.719 3.083 -3.154 286 HG21 ILE 41 HG21 ILE 41 -9.006 1.749 -1.656 287 HG22 ILE 41 HG22 ILE 41 -9.945 1.154 -3.020 288 HG23 ILE 41 HG23 ILE 41 -8.203 1.665 -3.224 289 HD11 ILE 41 HD11 ILE 41 -11.394 5.443 -3.715 290 HD12 ILE 41 HD12 ILE 41 -10.406 4.993 -5.129 291 HD13 ILE 41 HD13 ILE 41 -12.136 4.599 -5.082 292 H ASN 42 H ASN 42 -11.384 5.798 -1.283 293 HA ASN 42 HA ASN 42 -13.035 4.100 0.416 294 HB2 ASN 42 HB2 ASN 42 -11.120 4.807 1.898 295 HB3 ASN 42 HB3 ASN 42 -11.480 6.488 1.555 296 HD21 ASN 42 HD21 ASN 42 -11.243 5.928 4.120 297 HD22 ASN 42 HD22 ASN 42 -12.833 5.753 4.870 298 H ASP 43 H ASP 43 -15.167 4.948 0.397 299 HA ASP 43 HA ASP 43 -15.464 7.866 -0.311 300 HB2 ASP 43 HB2 ASP 43 -17.489 5.672 -0.860 301 HB3 ASP 43 HB3 ASP 43 -17.832 7.386 -0.859 302 H ARG 44 H ARG 44 -14.935 8.461 1.770 303 HA ARG 44 HA ARG 44 -15.941 7.104 4.050 304 HB2 ARG 44 HB2 ARG 44 -13.749 8.184 3.842 305 HB3 ARG 44 HB3 ARG 44 -14.501 9.777 3.865 306 HG2 ARG 44 HG2 ARG 44 -15.010 9.640 6.156 307 HG3 ARG 44 HG3 ARG 44 -15.008 7.874 6.163 308 HD2 ARG 44 HD2 ARG 44 -13.072 8.831 7.387 309 HD3 ARG 44 HD3 ARG 44 -12.626 7.751 6.061 310 HE ARG 44 HE ARG 44 -12.672 10.583 5.301 311 HH11 ARG 44 HH11 ARG 44 -10.506 8.144 6.681 312 HH12 ARG 44 HH12 ARG 44 -9.119 8.849 5.874 313 HH21 ARG 44 HH21 ARG 44 -10.925 11.495 4.583 314 HH22 ARG 44 HH22 ARG 44 -9.347 10.741 4.745 315 H GLU 45 H GLU 45 -17.488 9.696 2.343 316 HA GLU 45 HA GLU 45 -19.110 10.621 4.575 317 HB2 GLU 45 HB2 GLU 45 -18.671 11.930 2.511 318 HB3 GLU 45 HB3 GLU 45 -19.650 10.795 1.593 319 HG2 GLU 45 HG2 GLU 45 -21.636 11.437 2.969 320 HG3 GLU 45 HG3 GLU 45 -20.619 12.552 3.894 321 H THR 46 H THR 46 -19.310 7.843 2.453 322 HA THR 46 HA THR 46 -21.860 7.016 3.791 323 HB THR 46 HB THR 46 -22.109 5.373 1.918 324 HG1 THR 46 HG1 THR 46 -20.303 7.083 0.571 325 HG21 THR 46 HG21 THR 46 -22.182 8.340 1.249 326 HG22 THR 46 HG22 THR 46 -23.469 7.358 1.967 327 HG23 THR 46 HG23 THR 46 -22.962 7.060 0.299 328 H GLY 47 H GLY 47 -18.901 6.848 4.604 329 HA2 GLY 47 HA2 GLY 47 -17.618 5.448 5.838 330 HA3 GLY 47 HA3 GLY 47 -19.061 4.460 6.102 331 H ARG 48 H ARG 48 -17.896 4.853 2.815 332 HA ARG 48 HA ARG 48 -17.710 1.943 2.591 333 HB2 ARG 48 HB2 ARG 48 -18.940 3.540 1.028 334 HB3 ARG 48 HB3 ARG 48 -17.349 4.068 0.470 335 HG2 ARG 48 HG2 ARG 48 -16.867 1.632 -0.136 336 HG3 ARG 48 HG3 ARG 48 -18.560 1.290 0.262 337 HD2 ARG 48 HD2 ARG 48 -19.244 2.990 -1.462 338 HD3 ARG 48 HD3 ARG 48 -17.531 3.195 -1.891 339 HE ARG 48 HE ARG 48 -18.010 0.447 -1.984 340 HH11 ARG 48 HH11 ARG 48 -19.245 3.219 -3.828 341 HH12 ARG 48 HH12 ARG 48 -19.808 2.169 -5.104 342 HH21 ARG 48 HH21 ARG 48 -18.895 -0.752 -3.598 343 HH22 ARG 48 HH22 ARG 48 -19.464 0.008 -5.060 344 H SER 49 H SER 49 -15.793 1.945 4.056 345 HA SER 49 HA SER 49 -13.200 2.733 3.030 346 HB2 SER 49 HB2 SER 49 -13.814 0.683 5.191 347 HB3 SER 49 HB3 SER 49 -12.276 1.491 4.897 348 HG SER 49 HG SER 49 -13.676 2.252 6.617 349 H ARG 50 H ARG 50 -12.919 1.832 0.900 350 HA ARG 50 HA ARG 50 -13.109 -1.018 0.422 351 HB2 ARG 50 HB2 ARG 50 -11.185 0.797 -1.060 352 HB3 ARG 50 HB3 ARG 50 -11.900 -0.703 -1.589 353 HG2 ARG 50 HG2 ARG 50 -14.171 0.734 -1.266 354 HG3 ARG 50 HG3 ARG 50 -13.066 2.060 -1.512 355 HD2 ARG 50 HD2 ARG 50 -13.975 1.534 -3.638 356 HD3 ARG 50 HD3 ARG 50 -12.322 0.904 -3.671 357 HE ARG 50 HE ARG 50 -13.422 -1.356 -3.061 358 HH11 ARG 50 HH11 ARG 50 -14.765 0.916 -5.452 359 HH12 ARG 50 HH12 ARG 50 -15.708 -0.377 -6.160 360 HH21 ARG 50 HH21 ARG 50 -14.676 -2.868 -4.158 361 HH22 ARG 50 HH22 ARG 50 -15.597 -2.317 -5.552 362 H GLY 51 H GLY 51 -10.639 0.961 1.854 363 HA2 GLY 51 HA2 GLY 51 -9.166 0.349 3.471 364 HA3 GLY 51 HA3 GLY 51 -9.690 -1.299 3.382 365 H PHE 52 H PHE 52 -8.402 0.309 0.556 366 HA PHE 52 HA PHE 52 -5.870 -1.206 0.631 367 HB2 PHE 52 HB2 PHE 52 -8.124 -1.550 -1.354 368 HB3 PHE 52 HB3 PHE 52 -6.468 -1.660 -1.902 369 HD1 PHE 52 HD1 PHE 52 -8.677 -3.190 0.746 370 HD2 PHE 52 HD2 PHE 52 -5.335 -3.657 -1.930 371 HE1 PHE 52 HE1 PHE 52 -8.560 -5.594 1.316 372 HE2 PHE 52 HE2 PHE 52 -5.225 -6.068 -1.366 373 HZ PHE 52 HZ PHE 52 -6.835 -7.045 0.259 374 H GLY 53 H GLY 53 -4.467 -0.576 -1.178 375 HA2 GLY 53 HA2 GLY 53 -4.789 2.036 -2.446 376 HA3 GLY 53 HA3 GLY 53 -3.659 1.989 -1.079 377 H PHE 54 H PHE 54 -2.558 2.749 -3.249 378 HA PHE 54 HA PHE 54 -0.868 0.461 -4.163 379 HB2 PHE 54 HB2 PHE 54 -1.391 3.099 -5.591 380 HB3 PHE 54 HB3 PHE 54 -0.171 1.926 -6.048 381 HD1 PHE 54 HD1 PHE 54 -0.931 -0.475 -6.650 382 HD2 PHE 54 HD2 PHE 54 -3.595 2.915 -6.501 383 HE1 PHE 54 HE1 PHE 54 -2.546 -1.667 -8.114 384 HE2 PHE 54 HE2 PHE 54 -5.209 1.710 -7.948 385 HZ PHE 54 HZ PHE 54 -4.688 -0.583 -8.757 386 H VAL 55 H VAL 55 1.344 0.718 -3.937 387 HA VAL 55 HA VAL 55 2.382 3.337 -3.050 388 HB VAL 55 HB VAL 55 2.064 1.800 -1.041 389 HG11 VAL 55 HG11 VAL 55 2.914 -0.287 -2.122 390 HG12 VAL 55 HG12 VAL 55 4.551 0.406 -2.093 391 HG13 VAL 55 HG13 VAL 55 3.690 0.104 -0.575 392 HG21 VAL 55 HG21 VAL 55 3.524 3.810 -1.042 393 HG22 VAL 55 HG22 VAL 55 4.121 2.520 0.017 394 HG23 VAL 55 HG23 VAL 55 4.895 2.798 -1.553 395 H SER 56 H SER 56 4.537 3.786 -3.786 396 HA SER 56 HA SER 56 5.875 1.719 -5.426 397 HB2 SER 56 HB2 SER 56 6.005 3.089 -7.415 398 HB3 SER 56 HB3 SER 56 4.300 2.897 -6.957 399 HG SER 56 HG SER 56 4.589 5.061 -7.338 400 H PHE 57 H PHE 57 7.951 2.113 -6.044 401 HA PHE 57 HA PHE 57 9.429 4.347 -4.734 402 HB2 PHE 57 HB2 PHE 57 9.806 2.149 -3.556 403 HB3 PHE 57 HB3 PHE 57 10.381 1.472 -5.062 404 HD1 PHE 57 HD1 PHE 57 11.062 4.730 -3.274 405 HD2 PHE 57 HD2 PHE 57 12.712 1.100 -4.901 406 HE1 PHE 57 HE1 PHE 57 13.370 5.627 -2.973 407 HE2 PHE 57 HE2 PHE 57 14.997 1.974 -4.530 408 HZ PHE 57 HZ PHE 57 15.330 4.240 -3.579 409 H SER 58 H SER 58 11.721 4.467 -5.818 410 HA SER 58 HA SER 58 11.445 4.852 -8.667 411 HB2 SER 58 HB2 SER 58 13.978 4.842 -6.993 412 HB3 SER 58 HB3 SER 58 13.707 5.643 -8.553 413 HG SER 58 HG SER 58 12.791 7.254 -7.584 414 H ASN 59 H ASN 59 12.209 1.996 -6.836 415 HA ASN 59 HA ASN 59 13.048 0.561 -9.268 416 HB2 ASN 59 HB2 ASN 59 14.880 1.019 -6.891 417 HB3 ASN 59 HB3 ASN 59 15.067 -0.391 -7.917 418 HD21 ASN 59 HD21 ASN 59 15.086 0.168 -10.385 419 HD22 ASN 59 HD22 ASN 59 15.904 1.670 -10.843 420 H GLU 60 H GLU 60 13.299 -1.737 -9.016 421 HA GLU 60 HA GLU 60 10.951 -2.817 -7.728 422 HB2 GLU 60 HB2 GLU 60 12.030 -3.442 -9.993 423 HB3 GLU 60 HB3 GLU 60 13.206 -4.359 -9.066 424 HG2 GLU 60 HG2 GLU 60 11.358 -5.738 -8.116 425 HG3 GLU 60 HG3 GLU 60 10.179 -4.754 -8.998 426 H GLN 61 H GLN 61 14.407 -3.040 -6.962 427 HA GLN 61 HA GLN 61 14.379 -5.441 -5.500 428 HB2 GLN 61 HB2 GLN 61 16.298 -4.112 -6.490 429 HB3 GLN 61 HB3 GLN 61 16.192 -3.053 -5.079 430 HG2 GLN 61 HG2 GLN 61 16.762 -4.954 -3.607 431 HG3 GLN 61 HG3 GLN 61 16.862 -6.006 -5.025 432 HE21 GLN 61 HE21 GLN 61 19.121 -6.152 -3.875 433 HE22 GLN 61 HE22 GLN 61 20.347 -5.135 -4.640 434 H ALA 62 H ALA 62 14.163 -2.075 -4.223 435 HA ALA 62 HA ALA 62 13.652 -2.832 -1.505 436 HB1 ALA 62 HB1 ALA 62 14.495 -0.620 -2.132 437 HB2 ALA 62 HB2 ALA 62 13.006 -0.288 -3.045 438 HB3 ALA 62 HB3 ALA 62 12.943 -0.468 -1.285 439 H MET 63 H MET 63 11.387 -2.202 -4.273 440 HA MET 63 HA MET 63 8.968 -2.384 -2.747 441 HB2 MET 63 HB2 MET 63 9.580 -3.154 -5.634 442 HB3 MET 63 HB3 MET 63 7.971 -3.187 -4.948 443 HG2 MET 63 HG2 MET 63 9.758 -0.737 -5.128 444 HG3 MET 63 HG3 MET 63 8.445 -1.125 -6.229 445 HE1 MET 63 HE1 MET 63 6.180 -2.209 -3.994 446 HE2 MET 63 HE2 MET 63 5.269 -0.692 -3.973 447 HE3 MET 63 HE3 MET 63 5.934 -1.301 -5.506 448 H GLN 64 H GLN 64 10.956 -4.972 -4.215 449 HA GLN 64 HA GLN 64 9.133 -7.078 -3.368 450 HB2 GLN 64 HB2 GLN 64 11.885 -6.986 -4.615 451 HB3 GLN 64 HB3 GLN 64 11.204 -8.506 -4.003 452 HG2 GLN 64 HG2 GLN 64 9.767 -6.698 -6.007 453 HG3 GLN 64 HG3 GLN 64 10.820 -8.027 -6.479 454 HE21 GLN 64 HE21 GLN 64 7.644 -7.453 -6.406 455 HE22 GLN 64 HE22 GLN 64 7.070 -9.026 -5.851 456 H ASP 65 H ASP 65 12.135 -5.718 -1.986 457 HA ASP 65 HA ASP 65 12.357 -7.579 0.205 458 HB2 ASP 65 HB2 ASP 65 14.138 -6.024 -0.604 459 HB3 ASP 65 HB3 ASP 65 13.197 -4.656 -0.006 460 H ALA 66 H ALA 66 10.434 -4.598 -0.285 461 HA ALA 66 HA ALA 66 9.332 -4.547 2.387 462 HB1 ALA 66 HB1 ALA 66 9.378 -2.575 0.907 463 HB2 ALA 66 HB2 ALA 66 8.243 -3.374 -0.199 464 HB3 ALA 66 HB3 ALA 66 7.733 -2.959 1.451 465 H ILE 67 H ILE 67 7.933 -5.815 -0.711 466 HA ILE 67 HA ILE 67 5.675 -7.092 0.367 467 HB ILE 67 HB ILE 67 7.441 -7.784 -1.992 468 HG12 ILE 67 HG12 ILE 67 4.612 -6.638 -1.932 469 HG13 ILE 67 HG13 ILE 67 6.026 -5.605 -1.859 470 HG21 ILE 67 HG21 ILE 67 4.748 -9.047 -1.303 471 HG22 ILE 67 HG22 ILE 67 5.595 -9.221 -2.851 472 HG23 ILE 67 HG23 ILE 67 6.315 -9.884 -1.397 473 HD11 ILE 67 HD11 ILE 67 6.815 -6.494 -4.039 474 HD12 ILE 67 HD12 ILE 67 5.316 -7.450 -4.173 475 HD13 ILE 67 HD13 ILE 67 5.245 -5.684 -4.131 476 H GLU 68 H GLU 68 9.030 -8.410 0.314 477 HA GLU 68 HA GLU 68 8.404 -10.863 1.649 478 HB2 GLU 68 HB2 GLU 68 10.680 -9.587 0.599 479 HB3 GLU 68 HB3 GLU 68 11.044 -9.708 2.303 480 HG2 GLU 68 HG2 GLU 68 10.134 -12.031 0.542 481 HG3 GLU 68 HG3 GLU 68 11.822 -11.610 0.835 482 H GLY 69 H GLY 69 8.739 -7.621 2.981 483 HA2 GLY 69 HA2 GLY 69 8.797 -8.589 5.800 484 HA3 GLY 69 HA3 GLY 69 9.105 -6.955 5.224 485 H MET 70 H MET 70 6.477 -7.483 3.539 486 HA MET 70 HA MET 70 4.619 -6.234 5.458 487 HB2 MET 70 HB2 MET 70 4.692 -6.740 2.468 488 HB3 MET 70 HB3 MET 70 3.215 -6.148 3.209 489 HG2 MET 70 HG2 MET 70 5.905 -4.747 3.570 490 HG3 MET 70 HG3 MET 70 4.873 -4.442 2.184 491 HE1 MET 70 HE1 MET 70 4.994 -1.846 2.820 492 HE2 MET 70 HE2 MET 70 4.550 -1.197 4.415 493 HE3 MET 70 HE3 MET 70 5.988 -2.229 4.247 494 H ASN 71 H ASN 71 4.715 -9.212 3.486 495 HA ASN 71 HA ASN 71 1.982 -9.645 3.445 496 HB2 ASN 71 HB2 ASN 71 3.837 -10.584 2.010 497 HB3 ASN 71 HB3 ASN 71 4.140 -11.790 3.261 498 HD21 ASN 71 HD21 ASN 71 3.643 -12.778 0.887 499 HD22 ASN 71 HD22 ASN 71 1.969 -13.318 0.709 500 H GLY 72 H GLY 72 0.628 -9.805 5.080 501 HA2 GLY 72 HA2 GLY 72 -0.558 -11.030 6.669 502 HA3 GLY 72 HA3 GLY 72 0.850 -12.033 7.007 503 H LYS 73 H LYS 73 1.736 -8.698 7.140 504 HA LYS 73 HA LYS 73 2.166 -8.879 10.004 505 HB2 LYS 73 HB2 LYS 73 2.489 -6.594 8.013 506 HB3 LYS 73 HB3 LYS 73 2.930 -6.428 9.697 507 HG2 LYS 73 HG2 LYS 73 4.133 -8.445 7.748 508 HG3 LYS 73 HG3 LYS 73 4.853 -6.916 8.270 509 HD2 LYS 73 HD2 LYS 73 5.003 -7.736 10.581 510 HD3 LYS 73 HD3 LYS 73 4.199 -9.236 10.124 511 HE2 LYS 73 HE2 LYS 73 6.089 -9.634 8.460 512 HE3 LYS 73 HE3 LYS 73 6.927 -8.273 9.226 513 HZ1 LYS 73 HZ1 LYS 73 6.107 -10.820 10.536 514 HZ2 LYS 73 HZ2 LYS 73 6.616 -9.523 11.370 515 HZ3 LYS 73 HZ3 LYS 73 7.652 -10.228 10.325 516 H GLU 74 H GLU 74 1.651 -7.218 11.545 517 HA GLU 74 HA GLU 74 -1.232 -6.406 11.451 518 HB2 GLU 74 HB2 GLU 74 -0.696 -7.997 13.223 519 HB3 GLU 74 HB3 GLU 74 0.561 -6.933 13.852 520 HG2 GLU 74 HG2 GLU 74 -1.054 -5.305 14.571 521 HG3 GLU 74 HG3 GLU 74 -2.336 -6.036 13.600 522 H LEU 75 H LEU 75 -1.379 -4.401 10.784 523 HA LEU 75 HA LEU 75 0.617 -2.344 11.566 524 HB2 LEU 75 HB2 LEU 75 1.050 -3.669 9.335 525 HB3 LEU 75 HB3 LEU 75 -0.358 -2.810 8.725 526 HG LEU 75 HG LEU 75 0.854 -0.626 9.372 527 HD11 LEU 75 HD11 LEU 75 3.379 -0.888 9.508 528 HD12 LEU 75 HD12 LEU 75 3.121 -2.636 9.755 529 HD13 LEU 75 HD13 LEU 75 2.523 -1.458 10.938 530 HD21 LEU 75 HD21 LEU 75 2.296 -0.735 7.367 531 HD22 LEU 75 HD22 LEU 75 0.708 -1.402 7.081 532 HD23 LEU 75 HD23 LEU 75 2.100 -2.498 7.312 533 H ASP 76 H ASP 76 -0.234 -0.436 11.962 534 HA ASP 76 HA ASP 76 -1.752 0.967 12.735 535 HB2 ASP 76 HB2 ASP 76 -2.170 1.437 10.285 536 HB3 ASP 76 HB3 ASP 76 -3.583 0.371 10.378 537 H GLY 77 H GLY 77 -1.726 -1.746 13.580 538 HA2 GLY 77 HA2 GLY 77 -2.850 -3.103 15.095 539 HA3 GLY 77 HA3 GLY 77 -4.274 -2.068 14.967 540 H ARG 78 H ARG 78 -3.564 -2.890 11.807 541 HA ARG 78 HA ARG 78 -5.696 -4.992 11.825 542 HB2 ARG 78 HB2 ARG 78 -5.032 -2.899 9.722 543 HB3 ARG 78 HB3 ARG 78 -6.402 -4.002 9.695 544 HG2 ARG 78 HG2 ARG 78 -5.962 -1.711 11.657 545 HG3 ARG 78 HG3 ARG 78 -7.048 -1.704 10.271 546 HD2 ARG 78 HD2 ARG 78 -8.364 -3.529 11.278 547 HD3 ARG 78 HD3 ARG 78 -7.301 -3.519 12.701 548 HE ARG 78 HE ARG 78 -8.265 -0.880 12.392 549 HH11 ARG 78 HH11 ARG 78 -9.629 -4.018 13.106 550 HH12 ARG 78 HH12 ARG 78 -10.979 -3.358 13.996 551 HH21 ARG 78 HH21 ARG 78 -10.091 -0.079 13.481 552 HH22 ARG 78 HH22 ARG 78 -11.098 -1.187 14.371 553 H SER 79 H SER 79 -5.692 -6.575 10.157 554 HA SER 79 HA SER 79 -3.055 -7.659 9.571 555 HB2 SER 79 HB2 SER 79 -4.325 -9.468 8.425 556 HB3 SER 79 HB3 SER 79 -4.795 -9.201 10.107 557 HG SER 79 HG SER 79 -6.630 -8.069 9.392 558 H ILE 80 H ILE 80 -1.795 -7.393 7.788 559 HA ILE 80 HA ILE 80 -2.992 -5.974 5.474 560 HB ILE 80 HB ILE 80 -1.319 -4.771 6.883 561 HG12 ILE 80 HG12 ILE 80 -0.551 -5.016 3.936 562 HG13 ILE 80 HG13 ILE 80 -1.997 -4.181 4.506 563 HG21 ILE 80 HG21 ILE 80 0.276 -6.736 7.072 564 HG22 ILE 80 HG22 ILE 80 0.759 -6.410 5.403 565 HG23 ILE 80 HG23 ILE 80 1.021 -5.186 6.662 566 HD11 ILE 80 HD11 ILE 80 -0.263 -2.552 4.137 567 HD12 ILE 80 HD12 ILE 80 -0.602 -2.666 5.865 568 HD13 ILE 80 HD13 ILE 80 0.865 -3.422 5.185 569 H VAL 81 H VAL 81 -2.740 -6.392 3.477 570 HA VAL 81 HA VAL 81 -1.428 -8.915 2.560 571 HB VAL 81 HB VAL 81 -4.139 -7.692 2.070 572 HG11 VAL 81 HG11 VAL 81 -2.821 -9.545 0.073 573 HG12 VAL 81 HG12 VAL 81 -4.543 -9.141 0.129 574 HG13 VAL 81 HG13 VAL 81 -3.363 -7.879 -0.231 575 HG21 VAL 81 HG21 VAL 81 -3.803 -9.538 3.699 576 HG22 VAL 81 HG22 VAL 81 -4.822 -10.040 2.338 577 HG23 VAL 81 HG23 VAL 81 -3.124 -10.551 2.413 578 H VAL 82 H VAL 82 -0.430 -8.913 0.568 579 HA VAL 82 HA VAL 82 0.083 -6.305 -0.763 580 HB VAL 82 HB VAL 82 2.480 -6.892 -0.983 581 HG11 VAL 82 HG11 VAL 82 2.999 -5.687 0.996 582 HG12 VAL 82 HG12 VAL 82 1.454 -5.083 0.416 583 HG13 VAL 82 HG13 VAL 82 1.478 -6.206 1.795 584 HG21 VAL 82 HG21 VAL 82 1.936 -8.624 1.458 585 HG22 VAL 82 HG22 VAL 82 2.451 -9.225 -0.128 586 HG23 VAL 82 HG23 VAL 82 3.528 -8.180 0.811 587 H ASN 83 H ASN 83 0.311 -6.469 -3.035 588 HA ASN 83 HA ASN 83 1.587 -8.770 -4.183 589 HB2 ASN 83 HB2 ASN 83 -0.174 -9.333 -5.877 590 HB3 ASN 83 HB3 ASN 83 -0.508 -9.874 -4.250 591 HD21 ASN 83 HD21 ASN 83 -2.440 -9.265 -3.300 592 HD22 ASN 83 HD22 ASN 83 -3.581 -8.186 -4.092 593 H GLU 84 H GLU 84 2.260 -8.517 -6.351 594 HA GLU 84 HA GLU 84 3.146 -5.955 -6.993 595 HB2 GLU 84 HB2 GLU 84 3.954 -6.986 -9.107 596 HB3 GLU 84 HB3 GLU 84 4.356 -7.847 -7.638 597 HG2 GLU 84 HG2 GLU 84 3.836 -9.547 -9.127 598 HG3 GLU 84 HG3 GLU 84 2.408 -9.443 -8.110 599 H ALA 85 H ALA 85 2.709 -4.341 -8.503 600 HA ALA 85 HA ALA 85 0.167 -4.489 -10.031 601 HB1 ALA 85 HB1 ALA 85 -0.230 -3.369 -7.892 602 HB2 ALA 85 HB2 ALA 85 1.040 -2.180 -8.279 603 HB3 ALA 85 HB3 ALA 85 -0.431 -2.270 -9.265 604 H GLN 86 H GLN 86 2.843 -4.842 -11.074 605 HA GLN 86 HA GLN 86 3.495 -2.301 -12.469 606 HB2 GLN 86 HB2 GLN 86 5.719 -3.180 -12.751 607 HB3 GLN 86 HB3 GLN 86 5.206 -3.207 -11.065 608 HG2 GLN 86 HG2 GLN 86 4.690 -5.698 -11.359 609 HG3 GLN 86 HG3 GLN 86 5.440 -5.583 -12.955 610 HE21 GLN 86 HE21 GLN 86 7.588 -6.297 -12.883 611 HE22 GLN 86 HE22 GLN 86 8.648 -6.049 -11.485 612 H SER 87 H SER 87 1.949 -5.246 -13.311 613 HA SER 87 HA SER 87 3.100 -5.643 -15.913 614 HB2 SER 87 HB2 SER 87 0.400 -6.572 -14.866 615 HB3 SER 87 HB3 SER 87 1.293 -7.238 -16.246 616 HG SER 87 HG SER 87 3.036 -7.632 -14.666 617 H ARG 88 H ARG 88 0.272 -3.692 -14.925 618 HA ARG 88 HA ARG 88 -0.980 -3.688 -17.475 619 HB2 ARG 88 HB2 ARG 88 -1.587 -2.716 -14.879 620 HB3 ARG 88 HB3 ARG 88 -1.638 -1.297 -15.909 621 HG2 ARG 88 HG2 ARG 88 -3.157 -2.599 -17.481 622 HG3 ARG 88 HG3 ARG 88 -3.154 -3.919 -16.297 623 HD2 ARG 88 HD2 ARG 88 -4.056 -2.377 -14.581 624 HD3 ARG 88 HD3 ARG 88 -4.078 -1.055 -15.749 625 HE ARG 88 HE ARG 88 -5.865 -3.406 -15.607 626 HH11 ARG 88 HH11 ARG 88 -4.945 -0.728 -17.707 627 HH12 ARG 88 HH12 ARG 88 -6.544 -0.660 -18.429 628 HH21 ARG 88 HH21 ARG 88 -7.833 -3.218 -16.539 629 HH22 ARG 88 HH22 ARG 88 -8.167 -1.975 -17.699 630 H GLY 89 H GLY 89 1.782 -1.943 -16.688 631 HA2 GLY 89 HA2 GLY 89 1.393 0.270 -18.581 632 HA3 GLY 89 HA3 GLY 89 2.845 -0.115 -17.658 633 H TYR 90 H TYR 90 2.009 -2.967 -19.149 634 HA TYR 90 HA TYR 90 3.835 -2.476 -21.465 635 HB2 TYR 90 HB2 TYR 90 4.964 -3.632 -19.634 636 HB3 TYR 90 HB3 TYR 90 3.662 -4.801 -19.519 637 HD1 TYR 90 HD2 TYR 90 6.071 -3.450 -22.105 638 HD2 TYR 90 HD1 TYR 90 3.908 -6.872 -20.594 639 HE1 TYR 90 HE2 TYR 90 7.071 -4.864 -23.874 640 HE2 TYR 90 HE1 TYR 90 4.927 -8.285 -22.364 641 HH TYR 90 HH TYR 90 7.105 -6.915 -24.869 642 H GLY 91 H GLY 91 3.447 -3.454 -23.387 643 HA2 GLY 91 HA2 GLY 91 1.643 -5.732 -23.617 644 HA3 GLY 91 HA3 GLY 91 1.078 -4.297 -24.478 645 H GLY 92 H GLY 92 2.257 -7.048 -25.233 646 HA2 GLY 92 HA2 GLY 92 3.495 -6.290 -27.719 647 HA3 GLY 92 HA3 GLY 92 4.712 -6.921 -26.599
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