NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14833 | 1x5d | 11116 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -12.329 2.895 -2.449 2 HA2 GLY 1 1HA GLY 1 -10.146 3.872 -1.932 3 HA3 GLY 1 2HA GLY 1 -10.746 5.384 -2.597 4 H SER 2 H SER 2 -12.244 6.620 -1.393 5 HA SER 2 HA SER 2 -11.984 6.201 1.481 6 HB2 SER 2 1HB SER 2 -11.478 8.428 0.421 7 HB3 SER 2 2HB SER 2 -13.195 8.572 0.044 8 HG SER 2 HG SER 2 -11.881 8.847 2.454 9 H SER 3 H SER 3 -13.475 4.879 2.311 10 HA SER 3 HA SER 3 -16.204 5.632 2.378 11 HB2 SER 3 1HB SER 3 -15.390 3.487 0.455 12 HB3 SER 3 2HB SER 3 -16.924 3.331 1.310 13 HG SER 3 HG SER 3 -16.406 4.787 -0.829 14 H GLY 4 H GLY 4 -17.480 4.261 3.762 15 HA2 GLY 4 1HA GLY 4 -17.747 3.054 5.697 16 HA3 GLY 4 2HA GLY 4 -16.673 1.887 4.941 17 H SER 5 H SER 5 -15.819 1.395 7.019 18 HA SER 5 HA SER 5 -14.298 3.506 8.348 19 HB2 SER 5 1HB SER 5 -15.749 1.982 9.691 20 HB3 SER 5 2HB SER 5 -14.716 0.635 9.213 21 HG SER 5 HG SER 5 -13.514 1.186 10.834 22 H SER 6 H SER 6 -12.426 3.858 7.293 23 HA SER 6 HA SER 6 -10.310 2.014 7.520 24 HB2 SER 6 1HB SER 6 -11.803 1.176 5.499 25 HB3 SER 6 2HB SER 6 -10.928 2.434 4.626 26 HG SER 6 HG SER 6 -9.886 0.163 5.951 27 H GLY 7 H GLY 7 -8.300 2.908 6.936 28 HA2 GLY 7 1HA GLY 7 -8.147 5.720 7.091 29 HA3 GLY 7 2HA GLY 7 -6.812 4.642 6.710 30 H ASP 8 H ASP 8 -5.851 5.483 4.973 31 HA ASP 8 HA ASP 8 -7.548 6.328 2.719 32 HB2 ASP 8 1HB ASP 8 -6.168 8.138 3.567 33 HB3 ASP 8 2HB ASP 8 -4.723 7.138 3.436 34 H VAL 9 H VAL 9 -7.067 3.610 3.094 35 HA VAL 9 HA VAL 9 -4.851 2.754 1.479 36 HB VAL 9 HB VAL 9 -7.238 1.102 2.299 37 HG11 VAL 9 1HG1 VAL 9 -4.398 0.357 1.604 38 HG12 VAL 9 2HG1 VAL 9 -5.656 -0.764 2.129 39 HG13 VAL 9 3HG1 VAL 9 -5.821 0.093 0.596 40 HG21 VAL 9 1HG2 VAL 9 -4.678 1.220 3.848 41 HG22 VAL 9 2HG2 VAL 9 -5.980 2.366 4.170 42 HG23 VAL 9 3HG2 VAL 9 -6.263 0.636 4.356 43 H ILE 10 H ILE 10 -4.795 2.730 -0.661 44 HA ILE 10 HA ILE 10 -7.307 2.920 -2.156 45 HB ILE 10 HB ILE 10 -4.456 3.419 -3.009 46 HG12 ILE 10 1HG1 ILE 10 -6.781 5.342 -2.848 47 HG13 ILE 10 2HG1 ILE 10 -5.620 5.120 -1.543 48 HG21 ILE 10 1HG2 ILE 10 -5.966 4.425 -5.014 49 HG22 ILE 10 2HG2 ILE 10 -5.220 2.828 -5.040 50 HG23 ILE 10 3HG2 ILE 10 -6.911 3.004 -4.571 51 HD11 ILE 10 1HD1 ILE 10 -4.305 6.616 -2.491 52 HD12 ILE 10 2HD1 ILE 10 -4.151 5.578 -3.909 53 HD13 ILE 10 3HD1 ILE 10 -5.436 6.784 -3.833 54 H GLU 11 H GLU 11 -8.072 1.282 -3.330 55 HA GLU 11 HA GLU 11 -6.523 -1.183 -3.453 56 HB2 GLU 11 1HB GLU 11 -8.796 -1.407 -2.688 57 HB3 GLU 11 2HB GLU 11 -9.406 -0.563 -4.104 58 HG2 GLU 11 1HG GLU 11 -8.703 -2.388 -5.532 59 HG3 GLU 11 2HG GLU 11 -8.007 -3.227 -4.147 60 H LEU 12 H LEU 12 -5.387 -1.726 -5.184 61 HA LEU 12 HA LEU 12 -6.140 -0.561 -7.784 62 HB2 LEU 12 1HB LEU 12 -3.394 -1.363 -6.834 63 HB3 LEU 12 2HB LEU 12 -3.787 -0.680 -8.411 64 HG LEU 12 HG LEU 12 -4.223 0.796 -5.821 65 HD11 LEU 12 1HD1 LEU 12 -1.951 0.676 -5.736 66 HD12 LEU 12 2HD1 LEU 12 -2.125 2.056 -6.819 67 HD13 LEU 12 3HD1 LEU 12 -1.782 0.456 -7.478 68 HD21 LEU 12 1HD2 LEU 12 -3.834 2.635 -7.771 69 HD22 LEU 12 2HD2 LEU 12 -5.417 2.049 -7.256 70 HD23 LEU 12 3HD2 LEU 12 -4.637 1.353 -8.677 71 H THR 13 H THR 13 -5.869 -1.865 -9.648 72 HA THR 13 HA THR 13 -6.091 -4.732 -9.072 73 HB THR 13 HB THR 13 -7.029 -4.916 -11.366 74 HG1 THR 13 1HG THR 13 -7.550 -2.945 -12.439 75 HG21 THR 13 1HG2 THR 13 -9.154 -4.260 -10.748 76 HG22 THR 13 2HG2 THR 13 -8.589 -2.768 -9.996 77 HG23 THR 13 3HG2 THR 13 -8.346 -4.313 -9.182 78 H ASP 14 H ASP 14 -5.420 -5.964 -11.311 79 HA ASP 14 HA ASP 14 -2.554 -5.694 -11.380 80 HB2 ASP 14 1HB ASP 14 -2.640 -7.678 -12.856 81 HB3 ASP 14 2HB ASP 14 -3.544 -7.918 -11.363 82 H ASP 15 H ASP 15 -5.041 -4.221 -13.020 83 HA ASP 15 HA ASP 15 -3.393 -3.794 -15.423 84 HB2 ASP 15 1HB ASP 15 -5.632 -4.769 -15.838 85 HB3 ASP 15 2HB ASP 15 -6.367 -3.358 -15.082 86 H SER 16 H SER 16 -5.675 -2.081 -13.286 87 HA SER 16 HA SER 16 -4.969 0.505 -14.165 88 HB2 SER 16 1HB SER 16 -6.437 1.289 -12.564 89 HB3 SER 16 2HB SER 16 -7.010 -0.371 -12.727 90 HG SER 16 HG SER 16 -5.236 -0.627 -10.945 91 H PHE 17 H PHE 17 -3.669 -1.608 -11.696 92 HA PHE 17 HA PHE 17 -2.254 -0.007 -10.047 93 HB2 PHE 17 1HB PHE 17 -1.999 -2.294 -9.655 94 HB3 PHE 17 2HB PHE 17 -1.532 -2.627 -11.320 95 HD1 PHE 17 2HD PHE 17 0.721 -1.524 -12.082 96 HD2 PHE 17 1HD PHE 17 -0.374 -2.241 -8.032 97 HE1 PHE 17 2HE PHE 17 3.093 -1.452 -11.432 98 HE2 PHE 17 1HE PHE 17 1.997 -2.169 -7.375 99 HZ PHE 17 HZ PHE 17 3.733 -1.775 -9.076 100 H ASP 18 H ASP 18 -1.403 -0.789 -13.381 101 HA ASP 18 HA ASP 18 1.046 0.738 -13.275 102 HB2 ASP 18 1HB ASP 18 -0.402 -0.582 -15.579 103 HB3 ASP 18 2HB ASP 18 1.163 0.216 -15.714 104 H LYS 19 H LYS 19 -2.260 1.227 -14.239 105 HA LYS 19 HA LYS 19 -1.717 3.664 -15.688 106 HB2 LYS 19 1HB LYS 19 -4.412 2.733 -14.715 107 HB3 LYS 19 2HB LYS 19 -4.053 3.778 -16.083 108 HG2 LYS 19 1HG LYS 19 -2.977 1.009 -16.104 109 HG3 LYS 19 2HG LYS 19 -4.698 1.250 -16.410 110 HD2 LYS 19 1HD LYS 19 -4.246 2.660 -18.280 111 HD3 LYS 19 2HD LYS 19 -2.526 2.729 -17.886 112 HE2 LYS 19 1HE LYS 19 -2.535 1.171 -19.578 113 HE3 LYS 19 2HE LYS 19 -2.663 0.133 -18.159 114 HZ1 LYS 19 1HZ LYS 19 -4.343 0.129 -20.299 115 HZ2 LYS 19 2HZ LYS 19 -5.215 0.990 -19.134 116 HZ3 LYS 19 3HZ LYS 19 -4.661 -0.571 -18.792 117 H ASN 20 H ASN 20 -1.900 2.845 -12.458 118 HA ASN 20 HA ASN 20 -2.839 5.513 -11.663 119 HB2 ASN 20 1HB ASN 20 -2.631 2.906 -10.161 120 HB3 ASN 20 2HB ASN 20 -2.890 4.443 -9.340 121 HD21 ASN 20 1HD2 ASN 20 -4.303 1.904 -11.106 122 HD22 ASN 20 2HD2 ASN 20 -5.914 2.526 -11.163 123 H VAL 21 H VAL 21 -0.194 3.207 -11.243 124 HA VAL 21 HA VAL 21 1.362 5.084 -9.678 125 HB VAL 21 HB VAL 21 2.018 2.341 -10.755 126 HG11 VAL 21 1HG1 VAL 21 3.725 4.411 -9.549 127 HG12 VAL 21 2HG1 VAL 21 3.883 2.799 -8.850 128 HG13 VAL 21 3HG1 VAL 21 4.151 3.043 -10.576 129 HG21 VAL 21 1HG2 VAL 21 1.278 3.386 -8.032 130 HG22 VAL 21 2HG2 VAL 21 0.435 2.176 -8.999 131 HG23 VAL 21 3HG2 VAL 21 2.004 1.799 -8.287 132 H LEU 22 H LEU 22 2.083 3.276 -12.670 133 HA LEU 22 HA LEU 22 4.229 4.853 -13.479 134 HB2 LEU 22 1HB LEU 22 2.336 3.502 -15.381 135 HB3 LEU 22 2HB LEU 22 4.059 3.805 -15.592 136 HG LEU 22 HG LEU 22 2.725 1.732 -13.870 137 HD11 LEU 22 1HD1 LEU 22 3.154 1.255 -16.271 138 HD12 LEU 22 2HD1 LEU 22 4.016 0.185 -15.166 139 HD13 LEU 22 3HD1 LEU 22 4.875 1.500 -15.969 140 HD21 LEU 22 1HD2 LEU 22 4.600 2.992 -12.689 141 HD22 LEU 22 2HD2 LEU 22 5.679 2.281 -13.889 142 HD23 LEU 22 3HD2 LEU 22 4.757 1.239 -12.804 143 H ASP 23 H ASP 23 0.796 5.339 -13.847 144 HA ASP 23 HA ASP 23 1.086 7.482 -15.759 145 HB2 ASP 23 1HB ASP 23 -0.938 5.822 -15.348 146 HB3 ASP 23 2HB ASP 23 -1.433 7.072 -14.210 147 H SER 24 H SER 24 2.016 7.378 -12.728 148 HA SER 24 HA SER 24 1.351 10.195 -12.247 149 HB2 SER 24 1HB SER 24 -0.128 8.693 -10.861 150 HB3 SER 24 2HB SER 24 1.328 8.114 -10.052 151 HG SER 24 HG SER 24 1.719 10.247 -9.367 152 H GLU 25 H GLU 25 2.985 11.410 -11.408 153 HA GLU 25 HA GLU 25 5.604 10.132 -11.297 154 HB2 GLU 25 1HB GLU 25 4.620 12.921 -11.666 155 HB3 GLU 25 2HB GLU 25 6.224 12.697 -10.982 156 HG2 GLU 25 1HG GLU 25 5.525 11.213 -13.458 157 HG3 GLU 25 2HG GLU 25 5.850 12.941 -13.572 158 H ASP 26 H ASP 26 3.769 9.642 -9.146 159 HA ASP 26 HA ASP 26 5.243 10.918 -6.936 160 HB2 ASP 26 1HB ASP 26 2.313 10.232 -7.136 161 HB3 ASP 26 2HB ASP 26 3.109 10.523 -5.591 162 H VAL 27 H VAL 27 5.449 9.622 -4.992 163 HA VAL 27 HA VAL 27 6.204 6.940 -5.580 164 HB VAL 27 HB VAL 27 5.947 8.313 -2.901 165 HG11 VAL 27 1HG1 VAL 27 7.799 6.450 -2.477 166 HG12 VAL 27 2HG1 VAL 27 6.078 6.142 -2.236 167 HG13 VAL 27 3HG1 VAL 27 6.869 5.618 -3.723 168 HG21 VAL 27 1HG2 VAL 27 7.583 9.543 -3.932 169 HG22 VAL 27 2HG2 VAL 27 8.554 8.237 -3.252 170 HG23 VAL 27 3HG2 VAL 27 8.100 8.204 -4.956 171 H TRP 28 H TRP 28 5.013 5.155 -5.527 172 HA TRP 28 HA TRP 28 2.460 5.221 -4.055 173 HB2 TRP 28 1HB TRP 28 3.181 4.065 -6.724 174 HB3 TRP 28 2HB TRP 28 1.883 3.335 -5.784 175 HD1 TRP 28 HD TRP 28 2.775 6.559 -7.655 176 HE1 TRP 28 1HE TRP 28 0.609 7.881 -8.086 177 HE3 TRP 28 3HE TRP 28 -0.473 3.711 -4.920 178 HZ2 TRP 28 2HZ TRP 28 -2.115 7.736 -7.362 179 HZ3 TRP 28 3HZ TRP 28 -2.842 4.372 -4.840 180 HH2 TRP 28 HH TRP 28 -3.644 6.343 -6.036 181 H MET 29 H MET 29 2.627 4.059 -2.255 182 HA MET 29 HA MET 29 4.496 1.853 -2.070 183 HB2 MET 29 1HB MET 29 2.783 3.366 -0.149 184 HB3 MET 29 2HB MET 29 3.325 1.754 0.301 185 HG2 MET 29 1HG MET 29 5.658 2.481 -0.118 186 HG3 MET 29 2HG MET 29 5.054 4.112 -0.403 187 HE1 MET 29 1HE MET 29 6.595 1.836 1.583 188 HE2 MET 29 2HE MET 29 7.194 3.159 2.584 189 HE3 MET 29 3HE MET 29 6.101 1.956 3.271 190 H VAL 30 H VAL 30 3.791 0.112 -3.198 191 HA VAL 30 HA VAL 30 1.022 -0.755 -2.976 192 HB VAL 30 HB VAL 30 3.326 -1.906 -4.554 193 HG11 VAL 30 1HG1 VAL 30 0.403 -2.624 -4.717 194 HG12 VAL 30 2HG1 VAL 30 1.731 -3.345 -5.628 195 HG13 VAL 30 3HG1 VAL 30 1.622 -3.588 -3.884 196 HG21 VAL 30 1HG2 VAL 30 1.014 -0.798 -5.964 197 HG22 VAL 30 2HG2 VAL 30 1.932 0.392 -5.040 198 HG23 VAL 30 3HG2 VAL 30 2.738 -0.584 -6.268 199 H GLU 31 H GLU 31 0.385 -2.078 -1.418 200 HA GLU 31 HA GLU 31 2.349 -3.957 -0.277 201 HB2 GLU 31 1HB GLU 31 1.860 -2.456 1.460 202 HB3 GLU 31 2HB GLU 31 0.159 -2.365 1.025 203 HG2 GLU 31 1HG GLU 31 1.389 -4.906 2.027 204 HG3 GLU 31 2HG GLU 31 0.792 -3.664 3.127 205 H PHE 32 H PHE 32 1.924 -6.023 -0.637 206 HA PHE 32 HA PHE 32 -0.756 -6.794 -1.515 207 HB2 PHE 32 1HB PHE 32 1.797 -8.416 -1.551 208 HB3 PHE 32 2HB PHE 32 0.277 -8.836 -2.335 209 HD1 PHE 32 2HD PHE 32 2.991 -6.307 -2.326 210 HD2 PHE 32 1HD PHE 32 -0.163 -8.146 -4.513 211 HE1 PHE 32 2HE PHE 32 3.724 -5.135 -4.361 212 HE2 PHE 32 1HE PHE 32 0.566 -6.978 -6.553 213 HZ PHE 32 HZ PHE 32 2.511 -5.469 -6.478 214 H TYR 33 H TYR 33 -2.117 -7.857 -0.237 215 HA TYR 33 HA TYR 33 -1.035 -9.310 2.082 216 HB2 TYR 33 1HB TYR 33 -2.710 -8.446 3.522 217 HB3 TYR 33 2HB TYR 33 -2.055 -7.056 2.665 218 HD1 TYR 33 1HD TYR 33 -4.930 -9.378 2.835 219 HD2 TYR 33 2HD TYR 33 -3.435 -5.709 1.283 220 HE1 TYR 33 1HE TYR 33 -7.199 -8.768 2.107 221 HE2 TYR 33 2HE TYR 33 -5.700 -5.089 0.552 222 HH TYR 33 HH TYR 33 -8.397 -7.337 0.818 223 H ALA 34 H ALA 34 -2.649 -10.863 3.010 224 HA ALA 34 HA ALA 34 -4.298 -12.034 0.864 225 HB1 ALA 34 1HB ALA 34 -2.357 -13.418 1.266 226 HB2 ALA 34 2HB ALA 34 -2.714 -13.468 2.993 227 HB3 ALA 34 3HB ALA 34 -3.805 -14.243 1.843 228 HA PRO 35 HA PRO 35 -7.673 -11.467 3.669 229 HB2 PRO 35 1HB PRO 35 -9.487 -12.983 2.335 230 HB3 PRO 35 2HB PRO 35 -9.000 -11.372 1.796 231 HG2 PRO 35 1HG PRO 35 -8.069 -14.051 0.840 232 HG3 PRO 35 2HG PRO 35 -8.483 -12.609 -0.104 233 HD2 PRO 35 1HD PRO 35 -5.925 -13.302 0.449 234 HD3 PRO 35 2HD PRO 35 -6.442 -11.612 0.288 235 H TRP 36 H TRP 36 -5.916 -14.268 3.232 236 HA TRP 36 HA TRP 36 -7.448 -15.644 5.339 237 HB2 TRP 36 1HB TRP 36 -6.340 -17.760 4.225 238 HB3 TRP 36 2HB TRP 36 -7.834 -17.085 3.580 239 HD1 TRP 36 HD TRP 36 -7.826 -16.555 1.069 240 HE1 TRP 36 1HE TRP 36 -6.024 -16.346 -0.757 241 HE3 TRP 36 3HE TRP 36 -3.653 -16.970 3.994 242 HZ2 TRP 36 2HZ TRP 36 -3.207 -16.356 -0.935 243 HZ3 TRP 36 3HZ TRP 36 -1.443 -16.860 2.917 244 HH2 TRP 36 HH TRP 36 -1.227 -16.560 0.504 245 H CYS 37 H CYS 37 -5.072 -13.799 5.344 246 HA CYS 37 HA CYS 37 -3.229 -15.599 6.772 247 HB2 CYS 37 1HB CYS 37 -2.341 -14.700 4.580 248 HB3 CYS 37 2HB CYS 37 -2.399 -13.096 5.301 249 HG CYS 37 HG CYS 37 -0.169 -13.230 6.583 250 H GLY 38 H GLY 38 -2.600 -14.998 8.781 251 HA2 GLY 38 1HA GLY 38 -4.063 -12.889 10.064 252 HA3 GLY 38 2HA GLY 38 -2.870 -13.938 10.816 253 H HIS 39 H HIS 39 -0.568 -13.463 9.632 254 HA HIS 39 HA HIS 39 0.502 -11.245 10.733 255 HB2 HIS 39 1HB HIS 39 1.267 -12.477 8.079 256 HB3 HIS 39 2HB HIS 39 2.267 -11.328 8.964 257 HD1 HIS 39 1HD HIS 39 2.134 -12.426 11.781 258 HD2 HIS 39 2HD HIS 39 2.556 -14.833 8.421 259 HE1 HIS 39 1HE HIS 39 3.175 -14.560 12.609 260 HE2 HIS 39 2HE HIS 39 3.500 -15.967 10.546 261 H CYS 40 H CYS 40 -1.518 -11.343 7.930 262 HA CYS 40 HA CYS 40 -0.861 -8.624 7.139 263 HB2 CYS 40 1HB CYS 40 -2.724 -10.719 6.031 264 HB3 CYS 40 2HB CYS 40 -2.723 -9.063 5.434 265 HG CYS 40 HG CYS 40 0.027 -11.099 5.386 266 H LYS 41 H LYS 41 -3.671 -10.414 8.373 267 HA LYS 41 HA LYS 41 -5.529 -8.385 8.486 268 HB2 LYS 41 1HB LYS 41 -6.771 -9.765 9.832 269 HB3 LYS 41 2HB LYS 41 -5.620 -10.931 9.193 270 HG2 LYS 41 1HG LYS 41 -4.323 -10.853 11.198 271 HG3 LYS 41 2HG LYS 41 -5.282 -9.510 11.824 272 HD2 LYS 41 1HD LYS 41 -6.302 -12.296 11.265 273 HD3 LYS 41 2HD LYS 41 -5.922 -11.638 12.859 274 HE2 LYS 41 1HE LYS 41 -8.163 -11.237 12.828 275 HE3 LYS 41 2HE LYS 41 -7.606 -9.750 12.062 276 HZ1 LYS 41 1HZ LYS 41 -9.297 -11.741 11.012 277 HZ2 LYS 41 2HZ LYS 41 -7.907 -11.648 10.053 278 HZ3 LYS 41 3HZ LYS 41 -8.845 -10.265 10.319 279 H ASN 42 H ASN 42 -2.799 -8.976 10.594 280 HA ASN 42 HA ASN 42 -3.604 -7.098 12.603 281 HB2 ASN 42 1HB ASN 42 -1.047 -8.582 12.030 282 HB3 ASN 42 2HB ASN 42 -1.134 -7.360 13.295 283 HD21 ASN 42 1HD2 ASN 42 -0.475 -9.431 14.449 284 HD22 ASN 42 2HD2 ASN 42 -1.763 -10.362 15.128 285 H LEU 43 H LEU 43 -1.953 -6.920 9.583 286 HA LEU 43 HA LEU 43 -0.804 -4.309 10.156 287 HB2 LEU 43 1HB LEU 43 0.579 -5.750 8.873 288 HB3 LEU 43 2HB LEU 43 -0.732 -6.117 7.754 289 HG LEU 43 HG LEU 43 -0.596 -3.568 7.203 290 HD11 LEU 43 1HD1 LEU 43 2.277 -3.945 7.915 291 HD12 LEU 43 2HD1 LEU 43 1.142 -3.363 9.133 292 HD13 LEU 43 3HD1 LEU 43 1.371 -2.457 7.637 293 HD21 LEU 43 1HD2 LEU 43 1.329 -5.694 6.301 294 HD22 LEU 43 2HD2 LEU 43 1.249 -4.101 5.547 295 HD23 LEU 43 3HD2 LEU 43 -0.161 -5.161 5.521 296 H GLU 44 H GLU 44 -3.584 -5.698 8.645 297 HA GLU 44 HA GLU 44 -4.468 -4.030 6.759 298 HB2 GLU 44 1HB GLU 44 -6.104 -5.530 7.270 299 HB3 GLU 44 2HB GLU 44 -5.836 -5.394 9.002 300 HG2 GLU 44 1HG GLU 44 -8.019 -4.563 8.464 301 HG3 GLU 44 2HG GLU 44 -6.998 -3.224 8.986 302 HA PRO 45 HA PRO 45 -5.901 -0.608 9.850 303 HB2 PRO 45 1HB PRO 45 -5.114 -0.851 12.437 304 HB3 PRO 45 2HB PRO 45 -6.620 -1.544 11.822 305 HG2 PRO 45 1HG PRO 45 -3.981 -2.872 12.305 306 HG3 PRO 45 2HG PRO 45 -5.613 -3.457 12.679 307 HD2 PRO 45 1HD PRO 45 -4.229 -4.292 10.507 308 HD3 PRO 45 2HD PRO 45 -5.998 -4.147 10.514 309 H GLU 46 H GLU 46 -2.773 -2.071 10.667 310 HA GLU 46 HA GLU 46 -1.400 0.245 11.384 311 HB2 GLU 46 1HB GLU 46 -0.298 -2.194 9.978 312 HB3 GLU 46 2HB GLU 46 0.648 -0.996 10.850 313 HG2 GLU 46 1HG GLU 46 -1.463 -2.752 12.081 314 HG3 GLU 46 2HG GLU 46 0.272 -3.059 12.135 315 H TRP 47 H TRP 47 -2.044 -1.142 8.215 316 HA TRP 47 HA TRP 47 -0.367 0.706 6.806 317 HB2 TRP 47 1HB TRP 47 -1.032 -1.603 5.998 318 HB3 TRP 47 2HB TRP 47 -2.625 -0.935 5.652 319 HD1 TRP 47 HD TRP 47 -2.922 0.335 3.405 320 HE1 TRP 47 1HE TRP 47 -1.358 0.922 1.448 321 HE3 TRP 47 3HE TRP 47 1.549 -0.952 5.525 322 HZ2 TRP 47 2HZ TRP 47 1.406 0.850 0.877 323 HZ3 TRP 47 3HZ TRP 47 3.606 -0.663 4.206 324 HH2 TRP 47 HH TRP 47 3.534 0.219 1.930 325 H ALA 48 H ALA 48 -3.846 0.428 7.415 326 HA ALA 48 HA ALA 48 -4.776 2.500 5.835 327 HB1 ALA 48 1HB ALA 48 -6.511 2.720 7.801 328 HB2 ALA 48 2HB ALA 48 -6.483 1.293 6.765 329 HB3 ALA 48 3HB ALA 48 -5.728 1.241 8.358 330 H ALA 49 H ALA 49 -3.865 2.697 9.281 331 HA ALA 49 HA ALA 49 -4.163 5.466 9.539 332 HB1 ALA 49 1HB ALA 49 -2.135 3.874 11.078 333 HB2 ALA 49 2HB ALA 49 -3.070 5.274 11.605 334 HB3 ALA 49 3HB ALA 49 -3.868 3.719 11.371 335 H ALA 50 H ALA 50 -1.209 3.566 8.933 336 HA ALA 50 HA ALA 50 0.648 5.580 8.796 337 HB1 ALA 50 1HB ALA 50 1.962 3.878 8.255 338 HB2 ALA 50 2HB ALA 50 0.532 2.864 8.053 339 HB3 ALA 50 3HB ALA 50 1.189 3.746 6.674 340 H ALA 51 H ALA 51 -1.413 4.405 6.145 341 HA ALA 51 HA ALA 51 -0.506 5.899 4.048 342 HB1 ALA 51 1HB ALA 51 -2.348 4.228 3.969 343 HB2 ALA 51 2HB ALA 51 -3.426 5.451 4.642 344 HB3 ALA 51 3HB ALA 51 -2.682 5.705 3.064 345 H SER 52 H SER 52 -2.804 6.949 6.546 346 HA SER 52 HA SER 52 -3.176 9.551 5.471 347 HB2 SER 52 1HB SER 52 -3.831 8.210 8.064 348 HB3 SER 52 2HB SER 52 -3.937 9.967 7.965 349 HG SER 52 HG SER 52 -5.150 9.205 5.847 350 H GLU 53 H GLU 53 -1.218 8.326 8.178 351 HA GLU 53 HA GLU 53 -0.085 10.782 8.914 352 HB2 GLU 53 1HB GLU 53 0.096 8.964 10.435 353 HB3 GLU 53 2HB GLU 53 0.868 7.940 9.232 354 HG2 GLU 53 1HG GLU 53 2.613 8.560 10.620 355 HG3 GLU 53 2HG GLU 53 2.759 9.669 9.258 356 H VAL 54 H VAL 54 0.603 8.637 6.292 357 HA VAL 54 HA VAL 54 3.198 9.820 5.741 358 HB VAL 54 HB VAL 54 1.591 7.736 4.261 359 HG11 VAL 54 1HG1 VAL 54 2.861 8.909 2.618 360 HG12 VAL 54 2HG1 VAL 54 4.298 8.903 3.642 361 HG13 VAL 54 3HG1 VAL 54 3.698 7.394 2.954 362 HG21 VAL 54 1HG2 VAL 54 2.839 7.348 6.550 363 HG22 VAL 54 2HG2 VAL 54 2.894 6.143 5.264 364 HG23 VAL 54 3HG2 VAL 54 4.252 7.243 5.500 365 H LYS 55 H LYS 55 -0.037 9.739 4.295 366 HA LYS 55 HA LYS 55 0.570 11.312 2.036 367 HB2 LYS 55 1HB LYS 55 -1.438 10.251 1.751 368 HB3 LYS 55 2HB LYS 55 -1.904 10.447 3.436 369 HG2 LYS 55 1HG LYS 55 -2.315 12.857 2.975 370 HG3 LYS 55 2HG LYS 55 -2.006 12.533 1.268 371 HD2 LYS 55 1HD LYS 55 -3.874 11.032 1.153 372 HD3 LYS 55 2HD LYS 55 -4.116 11.124 2.899 373 HE2 LYS 55 1HE LYS 55 -4.877 13.346 2.780 374 HE3 LYS 55 2HE LYS 55 -4.264 13.555 1.141 375 HZ1 LYS 55 1HZ LYS 55 -5.951 11.598 0.700 376 HZ2 LYS 55 2HZ LYS 55 -6.445 13.216 0.689 377 HZ3 LYS 55 3HZ LYS 55 -6.716 12.259 2.057 378 H GLU 56 H GLU 56 -0.428 12.133 5.308 379 HA GLU 56 HA GLU 56 -0.822 14.915 4.750 380 HB2 GLU 56 1HB GLU 56 -1.443 15.126 6.951 381 HB3 GLU 56 2HB GLU 56 -1.740 13.410 6.708 382 HG2 GLU 56 1HG GLU 56 -0.594 13.306 8.657 383 HG3 GLU 56 2HG GLU 56 0.763 13.228 7.535 384 H GLN 57 H GLN 57 1.833 12.930 5.893 385 HA GLN 57 HA GLN 57 3.496 15.175 6.585 386 HB2 GLN 57 1HB GLN 57 3.936 12.206 6.421 387 HB3 GLN 57 2HB GLN 57 5.284 13.309 6.663 388 HG2 GLN 57 1HG GLN 57 4.081 14.205 8.662 389 HG3 GLN 57 2HG GLN 57 2.906 12.906 8.457 390 HE21 GLN 57 1HE2 GLN 57 4.328 10.748 7.898 391 HE22 GLN 57 2HE2 GLN 57 5.447 10.375 9.161 392 H THR 58 H THR 58 3.024 13.097 3.814 393 HA THR 58 HA THR 58 5.311 14.286 2.433 394 HB THR 58 HB THR 58 4.973 12.631 0.707 395 HG1 THR 58 1HG THR 58 2.582 12.046 2.136 396 HG21 THR 58 1HG2 THR 58 4.510 10.784 2.906 397 HG22 THR 58 2HG2 THR 58 5.668 12.047 3.322 398 HG23 THR 58 3HG2 THR 58 5.949 11.020 1.916 399 H LYS 59 H LYS 59 2.196 15.105 2.954 400 HA LYS 59 HA LYS 59 0.731 16.536 1.966 401 HB2 LYS 59 1HB LYS 59 3.238 17.173 0.426 402 HB3 LYS 59 2HB LYS 59 1.719 17.994 0.093 403 HG2 LYS 59 1HG LYS 59 2.663 19.455 1.567 404 HG3 LYS 59 2HG LYS 59 1.756 18.430 2.682 405 HD2 LYS 59 1HD LYS 59 3.662 17.337 3.428 406 HD3 LYS 59 2HD LYS 59 4.591 17.764 1.988 407 HE2 LYS 59 1HE LYS 59 5.474 19.142 3.649 408 HE3 LYS 59 2HE LYS 59 4.343 20.189 2.794 409 HZ1 LYS 59 1HZ LYS 59 3.548 18.699 5.221 410 HZ2 LYS 59 2HZ LYS 59 2.799 20.043 4.520 411 HZ3 LYS 59 3HZ LYS 59 4.281 20.221 5.316 412 H GLY 60 H GLY 60 1.049 13.764 0.989 413 HA2 GLY 60 1HA GLY 60 -0.425 12.678 -0.518 414 HA3 GLY 60 2HA GLY 60 -0.434 14.127 -1.513 415 H LYS 61 H LYS 61 2.627 14.116 -1.113 416 HA LYS 61 HA LYS 61 3.369 13.146 -3.579 417 HB2 LYS 61 1HB LYS 61 4.950 14.511 -2.555 418 HB3 LYS 61 2HB LYS 61 4.883 13.623 -1.038 419 HG2 LYS 61 1HG LYS 61 6.997 13.298 -2.252 420 HG3 LYS 61 2HG LYS 61 6.113 11.791 -1.999 421 HD2 LYS 61 1HD LYS 61 6.871 11.710 -4.229 422 HD3 LYS 61 2HD LYS 61 5.161 12.134 -4.331 423 HE2 LYS 61 1HE LYS 61 5.954 14.563 -4.385 424 HE3 LYS 61 2HE LYS 61 7.559 13.906 -4.701 425 HZ1 LYS 61 1HZ LYS 61 5.497 12.811 -6.386 426 HZ2 LYS 61 2HZ LYS 61 7.021 13.415 -6.797 427 HZ3 LYS 61 3HZ LYS 61 5.720 14.475 -6.588 428 H VAL 62 H VAL 62 3.876 11.480 -0.462 429 HA VAL 62 HA VAL 62 4.301 8.971 -1.903 430 HB VAL 62 HB VAL 62 4.565 9.496 1.060 431 HG11 VAL 62 1HG1 VAL 62 4.778 7.291 1.210 432 HG12 VAL 62 2HG1 VAL 62 4.661 7.116 -0.542 433 HG13 VAL 62 3HG1 VAL 62 6.229 7.402 0.215 434 HG21 VAL 62 1HG2 VAL 62 6.974 9.624 0.661 435 HG22 VAL 62 2HG2 VAL 62 6.699 9.479 -1.075 436 HG23 VAL 62 3HG2 VAL 62 6.115 10.898 -0.206 437 H LYS 63 H LYS 63 2.392 8.085 -2.463 438 HA LYS 63 HA LYS 63 0.199 8.040 -0.531 439 HB2 LYS 63 1HB LYS 63 0.119 6.931 -3.329 440 HB3 LYS 63 2HB LYS 63 -1.226 7.457 -2.326 441 HG2 LYS 63 1HG LYS 63 -0.520 9.766 -2.543 442 HG3 LYS 63 2HG LYS 63 0.884 9.265 -3.487 443 HD2 LYS 63 1HD LYS 63 -0.535 9.807 -5.190 444 HD3 LYS 63 2HD LYS 63 -0.987 8.115 -4.970 445 HE2 LYS 63 1HE LYS 63 -2.390 10.441 -3.661 446 HE3 LYS 63 2HE LYS 63 -2.923 9.672 -5.155 447 HZ1 LYS 63 1HZ LYS 63 -2.870 7.536 -3.744 448 HZ2 LYS 63 2HZ LYS 63 -4.166 8.605 -3.552 449 HZ3 LYS 63 3HZ LYS 63 -2.911 8.585 -2.417 450 H LEU 64 H LEU 64 -0.937 6.050 -0.078 451 HA LEU 64 HA LEU 64 0.773 3.662 -0.312 452 HB2 LEU 64 1HB LEU 64 -0.621 4.838 2.029 453 HB3 LEU 64 2HB LEU 64 -0.574 3.080 1.905 454 HG LEU 64 HG LEU 64 1.958 3.333 1.689 455 HD11 LEU 64 1HD1 LEU 64 1.854 5.835 3.197 456 HD12 LEU 64 2HD1 LEU 64 1.388 5.994 1.504 457 HD13 LEU 64 3HD1 LEU 64 2.961 5.318 1.925 458 HD21 LEU 64 1HD2 LEU 64 0.511 2.691 3.750 459 HD22 LEU 64 2HD2 LEU 64 0.976 4.283 4.348 460 HD23 LEU 64 3HD2 LEU 64 2.215 3.085 3.971 461 H ALA 65 H ALA 65 -0.152 1.921 -1.184 462 HA ALA 65 HA ALA 65 -3.090 1.768 -1.254 463 HB1 ALA 65 1HB ALA 65 -1.759 2.487 -3.442 464 HB2 ALA 65 2HB ALA 65 -1.604 0.737 -3.601 465 HB3 ALA 65 3HB ALA 65 -3.203 1.475 -3.503 466 H ALA 66 H ALA 66 -3.850 -0.467 -1.858 467 HA ALA 66 HA ALA 66 -1.992 -2.541 -0.906 468 HB1 ALA 66 1HB ALA 66 -3.715 -3.555 0.435 469 HB2 ALA 66 2HB ALA 66 -3.532 -1.867 0.913 470 HB3 ALA 66 3HB ALA 66 -4.891 -2.354 -0.100 471 H VAL 67 H VAL 67 -2.292 -4.610 -1.764 472 HA VAL 67 HA VAL 67 -4.303 -4.885 -3.887 473 HB VAL 67 HB VAL 67 -1.403 -5.667 -4.220 474 HG11 VAL 67 1HG1 VAL 67 -2.015 -6.201 -6.503 475 HG12 VAL 67 2HG1 VAL 67 -3.013 -7.126 -5.380 476 HG13 VAL 67 3HG1 VAL 67 -3.681 -5.712 -6.197 477 HG21 VAL 67 1HG2 VAL 67 -1.495 -3.300 -4.338 478 HG22 VAL 67 2HG2 VAL 67 -1.449 -3.882 -6.003 479 HG23 VAL 67 3HG2 VAL 67 -2.972 -3.336 -5.301 480 H ASP 68 H ASP 68 -4.867 -7.049 -4.405 481 HA ASP 68 HA ASP 68 -4.334 -8.918 -2.206 482 HB2 ASP 68 1HB ASP 68 -6.505 -9.040 -4.310 483 HB3 ASP 68 2HB ASP 68 -6.364 -10.070 -2.887 484 H ALA 69 H ALA 69 -2.484 -9.969 -2.742 485 HA ALA 69 HA ALA 69 -1.592 -10.695 -5.258 486 HB1 ALA 69 1HB ALA 69 -0.907 -12.694 -3.276 487 HB2 ALA 69 2HB ALA 69 0.126 -11.543 -4.125 488 HB3 ALA 69 3HB ALA 69 -0.716 -11.053 -2.656 489 H THR 70 H THR 70 -4.233 -11.939 -3.518 490 HA THR 70 HA THR 70 -4.239 -14.578 -4.637 491 HB THR 70 HB THR 70 -6.508 -14.764 -3.717 492 HG1 THR 70 1HG THR 70 -6.221 -11.989 -3.556 493 HG21 THR 70 1HG2 THR 70 -4.437 -13.527 -1.908 494 HG22 THR 70 2HG2 THR 70 -4.752 -15.241 -2.177 495 HG23 THR 70 3HG2 THR 70 -5.932 -14.251 -1.317 496 H VAL 71 H VAL 71 -5.474 -11.463 -5.576 497 HA VAL 71 HA VAL 71 -6.915 -12.688 -7.830 498 HB VAL 71 HB VAL 71 -7.139 -9.875 -6.749 499 HG11 VAL 71 1HG1 VAL 71 -8.209 -9.351 -8.621 500 HG12 VAL 71 2HG1 VAL 71 -7.852 -10.956 -9.264 501 HG13 VAL 71 3HG1 VAL 71 -9.344 -10.676 -8.365 502 HG21 VAL 71 1HG2 VAL 71 -9.106 -12.152 -6.544 503 HG22 VAL 71 2HG2 VAL 71 -8.033 -11.636 -5.243 504 HG23 VAL 71 3HG2 VAL 71 -9.272 -10.538 -5.852 505 H ASN 72 H ASN 72 -4.306 -10.559 -6.958 506 HA ASN 72 HA ASN 72 -3.888 -9.729 -9.720 507 HB2 ASN 72 1HB ASN 72 -2.849 -8.872 -7.065 508 HB3 ASN 72 2HB ASN 72 -1.805 -8.626 -8.462 509 HD21 ASN 72 1HD2 ASN 72 -5.073 -8.029 -7.266 510 HD22 ASN 72 2HD2 ASN 72 -5.300 -6.539 -8.111 511 H GLN 73 H GLN 73 -2.865 -11.111 -11.007 512 HA GLN 73 HA GLN 73 -0.714 -12.769 -9.879 513 HB2 GLN 73 1HB GLN 73 -2.350 -13.170 -12.389 514 HB3 GLN 73 2HB GLN 73 -1.055 -14.229 -11.848 515 HG2 GLN 73 1HG GLN 73 -3.315 -13.677 -9.997 516 HG3 GLN 73 2HG GLN 73 -3.569 -14.779 -11.350 517 HE21 GLN 73 1HE2 GLN 73 -2.897 -14.725 -8.204 518 HE22 GLN 73 2HE2 GLN 73 -1.943 -16.158 -8.053 519 H VAL 74 H VAL 74 -1.562 -10.630 -12.552 520 HA VAL 74 HA VAL 74 0.724 -10.812 -14.098 521 HB VAL 74 HB VAL 74 -0.834 -8.284 -13.538 522 HG11 VAL 74 1HG1 VAL 74 1.422 -8.878 -15.237 523 HG12 VAL 74 2HG1 VAL 74 0.037 -8.330 -16.184 524 HG13 VAL 74 3HG1 VAL 74 0.664 -7.327 -14.875 525 HG21 VAL 74 1HG2 VAL 74 -1.985 -10.512 -14.402 526 HG22 VAL 74 2HG2 VAL 74 -2.433 -8.926 -15.031 527 HG23 VAL 74 3HG2 VAL 74 -1.328 -9.956 -15.941 528 H LEU 75 H LEU 75 0.115 -8.629 -11.353 529 HA LEU 75 HA LEU 75 2.763 -7.541 -11.412 530 HB2 LEU 75 1HB LEU 75 0.841 -7.423 -9.106 531 HB3 LEU 75 2HB LEU 75 2.136 -6.295 -9.501 532 HG LEU 75 HG LEU 75 -0.396 -6.661 -11.101 533 HD11 LEU 75 1HD1 LEU 75 0.416 -4.527 -9.135 534 HD12 LEU 75 2HD1 LEU 75 -0.916 -5.670 -8.971 535 HD13 LEU 75 3HD1 LEU 75 -0.973 -4.424 -10.218 536 HD21 LEU 75 1HD2 LEU 75 2.107 -5.500 -11.759 537 HD22 LEU 75 2HD2 LEU 75 0.934 -4.197 -11.571 538 HD23 LEU 75 3HD2 LEU 75 0.617 -5.512 -12.703 539 H ALA 76 H ALA 76 1.052 -9.611 -9.063 540 HA ALA 76 HA ALA 76 3.028 -10.168 -7.291 541 HB1 ALA 76 1HB ALA 76 1.923 -12.634 -7.506 542 HB2 ALA 76 2HB ALA 76 1.197 -11.288 -6.626 543 HB3 ALA 76 3HB ALA 76 0.686 -11.640 -8.277 544 H SER 77 H SER 77 2.607 -11.660 -10.474 545 HA SER 77 HA SER 77 4.825 -13.444 -10.169 546 HB2 SER 77 1HB SER 77 2.741 -13.597 -11.762 547 HB3 SER 77 2HB SER 77 3.751 -12.648 -12.852 548 HG SER 77 HG SER 77 4.545 -15.092 -11.646 549 H ARG 78 H ARG 78 4.311 -10.316 -11.730 550 HA ARG 78 HA ARG 78 6.591 -9.980 -13.180 551 HB2 ARG 78 1HB ARG 78 4.790 -8.299 -12.986 552 HB3 ARG 78 2HB ARG 78 5.352 -7.901 -11.368 553 HG2 ARG 78 1HG ARG 78 7.448 -7.091 -12.251 554 HG3 ARG 78 2HG ARG 78 6.982 -7.587 -13.879 555 HD2 ARG 78 1HD ARG 78 5.203 -5.981 -13.925 556 HD3 ARG 78 2HD ARG 78 5.451 -5.588 -12.225 557 HE ARG 78 HE ARG 78 7.845 -5.029 -13.400 558 HH11 ARG 78 2HH1 ARG 78 4.552 -4.046 -13.957 559 HH12 ARG 78 1HH1 ARG 78 4.985 -2.486 -14.575 560 HH21 ARG 78 2HH2 ARG 78 8.427 -2.978 -14.211 561 HH22 ARG 78 1HH2 ARG 78 7.189 -1.880 -14.720 562 H TYR 79 H TYR 79 6.256 -9.321 -9.697 563 HA TYR 79 HA TYR 79 9.186 -9.234 -9.493 564 HB2 TYR 79 1HB TYR 79 7.359 -8.453 -7.252 565 HB3 TYR 79 2HB TYR 79 8.976 -7.868 -7.625 566 HD1 TYR 79 2HD TYR 79 5.423 -7.674 -8.634 567 HD2 TYR 79 1HD TYR 79 9.302 -5.966 -9.004 568 HE1 TYR 79 2HE TYR 79 4.448 -5.717 -9.761 569 HE2 TYR 79 1HE TYR 79 8.338 -4.004 -10.131 570 HH TYR 79 HH TYR 79 5.165 -3.218 -10.056 571 H GLY 80 H GLY 80 6.397 -11.061 -8.635 572 HA2 GLY 80 1HA GLY 80 6.415 -13.277 -7.877 573 HA3 GLY 80 2HA GLY 80 8.099 -13.082 -7.415 574 H ILE 81 H ILE 81 4.784 -12.282 -6.494 575 HA ILE 81 HA ILE 81 5.704 -11.801 -3.744 576 HB ILE 81 HB ILE 81 2.932 -11.242 -4.768 577 HG12 ILE 81 1HG1 ILE 81 4.683 -10.084 -6.165 578 HG13 ILE 81 2HG1 ILE 81 3.571 -9.004 -5.330 579 HG21 ILE 81 1HG2 ILE 81 2.641 -9.989 -2.851 580 HG22 ILE 81 2HG2 ILE 81 3.656 -11.308 -2.270 581 HG23 ILE 81 3HG2 ILE 81 4.372 -9.737 -2.627 582 HD11 ILE 81 1HD1 ILE 81 5.185 -8.165 -3.984 583 HD12 ILE 81 2HD1 ILE 81 6.102 -9.672 -3.954 584 HD13 ILE 81 3HD1 ILE 81 6.189 -8.614 -5.362 585 H ARG 82 H ARG 82 5.774 -13.701 -2.694 586 HA ARG 82 HA ARG 82 3.345 -15.367 -2.750 587 HB2 ARG 82 1HB ARG 82 6.236 -16.220 -2.669 588 HB3 ARG 82 2HB ARG 82 4.919 -17.297 -2.225 589 HG2 ARG 82 1HG ARG 82 3.996 -16.568 -4.589 590 HG3 ARG 82 2HG ARG 82 5.707 -16.256 -4.888 591 HD2 ARG 82 1HD ARG 82 6.256 -18.539 -4.272 592 HD3 ARG 82 2HD ARG 82 4.568 -18.859 -3.877 593 HE ARG 82 HE ARG 82 4.179 -19.218 -6.093 594 HH11 ARG 82 2HH1 ARG 82 7.095 -17.343 -5.768 595 HH12 ARG 82 1HH1 ARG 82 7.467 -17.388 -7.459 596 HH21 ARG 82 2HH2 ARG 82 4.658 -19.283 -8.322 597 HH22 ARG 82 1HH2 ARG 82 6.080 -18.490 -8.912 598 H GLY 83 H GLY 83 5.680 -13.679 -0.894 599 HA2 GLY 83 1HA GLY 83 4.641 -14.890 1.589 600 HA3 GLY 83 2HA GLY 83 6.210 -14.112 1.440 601 H PHE 84 H PHE 84 2.816 -13.656 1.929 602 HA PHE 84 HA PHE 84 3.112 -10.749 2.004 603 HB2 PHE 84 1HB PHE 84 0.524 -12.077 2.653 604 HB3 PHE 84 2HB PHE 84 0.831 -10.592 1.758 605 HD1 PHE 84 2HD PHE 84 2.236 -11.052 -0.503 606 HD2 PHE 84 1HD PHE 84 -0.333 -13.822 1.456 607 HE1 PHE 84 2HE PHE 84 1.938 -12.268 -2.621 608 HE2 PHE 84 1HE PHE 84 -0.635 -15.043 -0.658 609 HZ PHE 84 HZ PHE 84 0.500 -14.266 -2.701 610 HA PRO 85 HA PRO 85 1.577 -9.166 2.918 611 HB2 PRO 85 1HB PRO 85 2.547 -7.050 4.316 612 HB3 PRO 85 2HB PRO 85 1.014 -7.839 4.708 613 HG2 PRO 85 1HG PRO 85 3.702 -8.187 5.979 614 HG3 PRO 85 2HG PRO 85 2.111 -8.048 6.748 615 HD2 PRO 85 1HD PRO 85 3.354 -10.427 6.390 616 HD3 PRO 85 2HD PRO 85 1.587 -10.257 6.351 617 H THR 86 H THR 86 2.650 -7.763 1.471 618 HA THR 86 HA THR 86 5.587 -7.846 1.522 619 HB THR 86 HB THR 86 3.798 -8.611 -0.775 620 HG1 THR 86 1HG THR 86 6.196 -9.897 -0.101 621 HG21 THR 86 1HG2 THR 86 5.247 -7.054 -1.803 622 HG22 THR 86 2HG2 THR 86 5.961 -8.635 -2.120 623 HG23 THR 86 3HG2 THR 86 6.632 -7.601 -0.859 624 H ILE 87 H ILE 87 5.988 -5.742 1.934 625 HA ILE 87 HA ILE 87 4.494 -3.666 0.544 626 HB ILE 87 HB ILE 87 6.675 -3.453 2.623 627 HG12 ILE 87 1HG1 ILE 87 3.777 -2.748 2.995 628 HG13 ILE 87 2HG1 ILE 87 4.331 -4.406 3.208 629 HG21 ILE 87 1HG2 ILE 87 4.885 -1.289 1.524 630 HG22 ILE 87 2HG2 ILE 87 6.136 -1.103 2.752 631 HG23 ILE 87 3HG2 ILE 87 6.581 -1.513 1.096 632 HD11 ILE 87 1HD1 ILE 87 5.863 -2.340 4.640 633 HD12 ILE 87 2HD1 ILE 87 4.209 -2.613 5.189 634 HD13 ILE 87 3HD1 ILE 87 5.358 -3.950 5.155 635 H LYS 88 H LYS 88 5.167 -2.737 -1.266 636 HA LYS 88 HA LYS 88 8.042 -2.736 -1.884 637 HB2 LYS 88 1HB LYS 88 5.809 -3.389 -3.816 638 HB3 LYS 88 2HB LYS 88 7.499 -3.185 -4.257 639 HG2 LYS 88 1HG LYS 88 6.838 -5.180 -2.161 640 HG3 LYS 88 2HG LYS 88 6.444 -5.565 -3.838 641 HD2 LYS 88 1HD LYS 88 8.924 -4.717 -4.227 642 HD3 LYS 88 2HD LYS 88 9.093 -5.198 -2.537 643 HE2 LYS 88 1HE LYS 88 8.433 -7.435 -3.032 644 HE3 LYS 88 2HE LYS 88 7.954 -6.994 -4.670 645 HZ1 LYS 88 1HZ LYS 88 10.335 -6.404 -5.059 646 HZ2 LYS 88 2HZ LYS 88 10.049 -8.052 -4.809 647 HZ3 LYS 88 3HZ LYS 88 10.703 -7.109 -3.566 648 H ILE 89 H ILE 89 8.827 -0.881 -2.752 649 HA ILE 89 HA ILE 89 6.905 1.320 -3.088 650 HB ILE 89 HB ILE 89 9.863 1.425 -2.489 651 HG12 ILE 89 1HG1 ILE 89 8.839 2.596 -0.381 652 HG13 ILE 89 2HG1 ILE 89 7.379 1.723 -0.834 653 HG21 ILE 89 1HG2 ILE 89 9.714 3.776 -2.435 654 HG22 ILE 89 2HG2 ILE 89 8.918 3.284 -3.929 655 HG23 ILE 89 3HG2 ILE 89 7.953 3.745 -2.527 656 HD11 ILE 89 1HD1 ILE 89 9.550 -0.099 -0.897 657 HD12 ILE 89 2HD1 ILE 89 9.611 0.792 0.624 658 HD13 ILE 89 3HD1 ILE 89 8.148 -0.082 0.173 659 H PHE 90 H PHE 90 6.974 2.645 -4.885 660 HA PHE 90 HA PHE 90 8.797 1.849 -7.050 661 HB2 PHE 90 1HB PHE 90 5.830 2.378 -7.308 662 HB3 PHE 90 2HB PHE 90 6.930 2.150 -8.663 663 HD1 PHE 90 1HD PHE 90 5.504 0.486 -5.681 664 HD2 PHE 90 2HD PHE 90 7.488 0.004 -9.416 665 HE1 PHE 90 1HE PHE 90 5.144 -1.945 -5.555 666 HE2 PHE 90 2HE PHE 90 7.131 -2.427 -9.296 667 HZ PHE 90 HZ PHE 90 5.957 -3.405 -7.364 668 H GLN 91 H GLN 91 9.870 3.502 -7.906 669 HA GLN 91 HA GLN 91 8.761 6.212 -7.573 670 HB2 GLN 91 1HB GLN 91 11.636 5.310 -7.374 671 HB3 GLN 91 2HB GLN 91 11.142 6.995 -7.457 672 HG2 GLN 91 1HG GLN 91 9.951 6.801 -5.378 673 HG3 GLN 91 2HG GLN 91 10.276 5.069 -5.315 674 HE21 GLN 91 1HE2 GLN 91 11.587 4.791 -3.646 675 HE22 GLN 91 2HE2 GLN 91 13.057 5.653 -3.365 676 H LYS 92 H LYS 92 8.147 6.955 -9.487 677 HA LYS 92 HA LYS 92 8.767 5.955 -11.973 678 HB2 LYS 92 1HB LYS 92 6.949 7.445 -11.847 679 HB3 LYS 92 2HB LYS 92 7.915 8.697 -11.078 680 HG2 LYS 92 1HG LYS 92 8.806 9.419 -13.049 681 HG3 LYS 92 2HG LYS 92 8.668 7.837 -13.819 682 HD2 LYS 92 1HD LYS 92 6.169 9.274 -13.075 683 HD3 LYS 92 2HD LYS 92 7.076 9.839 -14.481 684 HE2 LYS 92 1HE LYS 92 7.072 7.263 -15.071 685 HE3 LYS 92 2HE LYS 92 5.639 7.269 -14.043 686 HZ1 LYS 92 1HZ LYS 92 5.718 7.911 -16.690 687 HZ2 LYS 92 2HZ LYS 92 5.637 9.419 -15.928 688 HZ3 LYS 92 3HZ LYS 92 4.450 8.252 -15.624 689 H GLY 93 H GLY 93 10.686 5.721 -12.908 690 HA2 GLY 93 1HA GLY 93 12.417 7.068 -14.099 691 HA3 GLY 93 2HA GLY 93 12.669 7.886 -12.564 692 H GLU 94 H GLU 94 12.723 5.814 -10.784 693 HA GLU 94 HA GLU 94 15.057 4.263 -11.697 694 HB2 GLU 94 1HB GLU 94 14.410 5.268 -8.920 695 HB3 GLU 94 2HB GLU 94 15.780 4.243 -9.326 696 HG2 GLU 94 1HG GLU 94 16.652 6.005 -10.788 697 HG3 GLU 94 2HG GLU 94 15.293 7.035 -10.340 698 H SER 95 H SER 95 15.355 2.157 -10.664 699 HA SER 95 HA SER 95 13.057 0.560 -10.839 700 HB2 SER 95 1HB SER 95 14.470 -1.263 -10.018 701 HB3 SER 95 2HB SER 95 15.346 -0.294 -11.203 702 HG SER 95 HG SER 95 15.623 -0.287 -8.386 703 HA PRO 96 HA PRO 96 11.183 0.910 -6.878 704 HB2 PRO 96 1HB PRO 96 9.951 -1.505 -6.737 705 HB3 PRO 96 2HB PRO 96 9.388 -0.199 -7.788 706 HG2 PRO 96 1HG PRO 96 11.048 -2.596 -8.468 707 HG3 PRO 96 2HG PRO 96 9.693 -1.884 -9.362 708 HD2 PRO 96 1HD PRO 96 12.277 -1.450 -10.045 709 HD3 PRO 96 2HD PRO 96 11.007 -0.233 -10.288 710 H VAL 97 H VAL 97 11.245 0.084 -4.726 711 HA VAL 97 HA VAL 97 13.517 -1.727 -4.230 712 HB VAL 97 HB VAL 97 13.671 -0.615 -1.990 713 HG11 VAL 97 1HG1 VAL 97 14.010 1.286 -4.304 714 HG12 VAL 97 2HG1 VAL 97 14.909 1.274 -2.785 715 HG13 VAL 97 3HG1 VAL 97 15.114 -0.041 -3.943 716 HG21 VAL 97 1HG2 VAL 97 11.784 1.381 -3.239 717 HG22 VAL 97 2HG2 VAL 97 11.390 0.282 -1.916 718 HG23 VAL 97 3HG2 VAL 97 12.594 1.549 -1.681 719 H ASP 98 H ASP 98 13.374 -2.976 -2.190 720 HA ASP 98 HA ASP 98 10.614 -3.904 -1.768 721 HB2 ASP 98 1HB ASP 98 12.170 -5.587 -2.684 722 HB3 ASP 98 2HB ASP 98 13.213 -5.375 -1.280 723 H TYR 99 H TYR 99 9.724 -3.177 0.040 724 HA TYR 99 HA TYR 99 11.322 -2.218 2.235 725 HB2 TYR 99 1HB TYR 99 9.249 -1.069 1.598 726 HB3 TYR 99 2HB TYR 99 8.322 -2.518 1.975 727 HD1 TYR 99 2HD TYR 99 8.331 -3.349 4.383 728 HD2 TYR 99 1HD TYR 99 9.735 0.509 3.265 729 HE1 TYR 99 2HE TYR 99 8.084 -2.591 6.710 730 HE2 TYR 99 1HE TYR 99 9.493 1.277 5.589 731 HH TYR 99 HH TYR 99 7.891 -0.632 7.997 732 H ASP 100 H ASP 100 12.021 -3.387 3.886 733 HA ASP 100 HA ASP 100 10.459 -5.692 4.790 734 HB2 ASP 100 1HB ASP 100 11.999 -6.874 3.507 735 HB3 ASP 100 2HB ASP 100 13.300 -5.732 3.834 736 H GLY 101 H GLY 101 9.935 -5.082 6.795 737 HA2 GLY 101 1HA GLY 101 11.723 -5.045 8.902 738 HA3 GLY 101 2HA GLY 101 11.555 -3.370 8.397 739 H GLY 102 H GLY 102 10.558 -2.709 10.296 740 HA2 GLY 102 1HA GLY 102 8.526 -3.900 11.700 741 HA3 GLY 102 2HA GLY 102 8.703 -2.159 11.543 742 H ARG 103 H ARG 103 6.405 -4.262 11.467 743 HA ARG 103 HA ARG 103 5.158 -3.371 8.961 744 HB2 ARG 103 1HB ARG 103 4.522 -5.664 10.819 745 HB3 ARG 103 2HB ARG 103 3.481 -5.189 9.483 746 HG2 ARG 103 1HG ARG 103 5.342 -5.603 7.922 747 HG3 ARG 103 2HG ARG 103 6.325 -6.157 9.280 748 HD2 ARG 103 1HD ARG 103 4.257 -7.737 9.690 749 HD3 ARG 103 2HD ARG 103 3.979 -7.446 7.973 750 HE ARG 103 HE ARG 103 5.939 -9.145 9.094 751 HH11 ARG 103 2HH1 ARG 103 5.451 -6.869 6.505 752 HH12 ARG 103 1HH1 ARG 103 6.627 -7.601 5.465 753 HH21 ARG 103 2HH2 ARG 103 7.490 -10.118 7.734 754 HH22 ARG 103 1HH2 ARG 103 7.786 -9.450 6.164 755 H THR 104 H THR 104 5.406 -1.625 11.238 756 HA THR 104 HA THR 104 2.557 -1.283 11.916 757 HB THR 104 HB THR 104 3.292 -0.147 13.999 758 HG1 THR 104 1HG THR 104 5.345 0.258 14.274 759 HG21 THR 104 1HG2 THR 104 4.185 -3.000 13.588 760 HG22 THR 104 2HG2 THR 104 2.626 -2.437 14.191 761 HG23 THR 104 3HG2 THR 104 4.078 -2.225 15.168 762 H ARG 105 H ARG 105 1.650 0.657 11.510 763 HA ARG 105 HA ARG 105 2.436 2.408 9.664 764 HB2 ARG 105 1HB ARG 105 0.919 3.986 10.514 765 HB3 ARG 105 2HB ARG 105 0.305 2.441 11.087 766 HG2 ARG 105 1HG ARG 105 1.711 2.987 13.212 767 HG3 ARG 105 2HG ARG 105 1.609 4.644 12.612 768 HD2 ARG 105 1HD ARG 105 -0.832 4.472 12.565 769 HD3 ARG 105 2HD ARG 105 -0.728 2.816 13.161 770 HE ARG 105 HE ARG 105 0.524 4.817 14.835 771 HH11 ARG 105 2HH1 ARG 105 -2.347 2.973 14.143 772 HH12 ARG 105 1HH1 ARG 105 -3.012 3.168 15.731 773 HH21 ARG 105 2HH2 ARG 105 -0.341 5.081 16.929 774 HH22 ARG 105 1HH2 ARG 105 -1.871 4.368 17.314 775 H SER 106 H SER 106 3.554 2.425 13.003 776 HA SER 106 HA SER 106 4.872 4.857 13.088 777 HB2 SER 106 1HB SER 106 5.710 2.243 14.366 778 HB3 SER 106 2HB SER 106 6.314 3.835 14.822 779 HG SER 106 HG SER 106 3.576 3.095 14.885 780 H ASP 107 H ASP 107 6.162 1.707 12.053 781 HA ASP 107 HA ASP 107 8.663 2.857 11.214 782 HB2 ASP 107 1HB ASP 107 7.513 0.098 10.744 783 HB3 ASP 107 2HB ASP 107 9.169 0.584 10.395 784 H ILE 108 H ILE 108 5.895 1.370 9.538 785 HA ILE 108 HA ILE 108 6.682 1.593 6.933 786 HB ILE 108 HB ILE 108 3.921 2.147 8.025 787 HG12 ILE 108 1HG1 ILE 108 4.763 -0.403 6.705 788 HG13 ILE 108 2HG1 ILE 108 5.211 -0.126 8.384 789 HG21 ILE 108 1HG2 ILE 108 4.209 3.012 5.747 790 HG22 ILE 108 2HG2 ILE 108 4.753 1.421 5.220 791 HG23 ILE 108 3HG2 ILE 108 3.101 1.642 5.795 792 HD11 ILE 108 1HD1 ILE 108 3.239 -1.020 8.880 793 HD12 ILE 108 2HD1 ILE 108 2.543 0.511 8.347 794 HD13 ILE 108 3HD1 ILE 108 2.649 -0.848 7.228 795 H VAL 109 H VAL 109 5.217 4.137 8.925 796 HA VAL 109 HA VAL 109 5.175 6.097 6.869 797 HB VAL 109 HB VAL 109 5.078 6.387 9.873 798 HG11 VAL 109 1HG1 VAL 109 4.458 8.666 9.585 799 HG12 VAL 109 2HG1 VAL 109 5.946 8.414 8.672 800 HG13 VAL 109 3HG1 VAL 109 4.397 8.493 7.831 801 HG21 VAL 109 1HG2 VAL 109 2.949 5.791 9.673 802 HG22 VAL 109 2HG2 VAL 109 2.673 7.137 8.567 803 HG23 VAL 109 3HG2 VAL 109 3.165 5.565 7.937 804 H SER 110 H SER 110 7.395 5.472 9.571 805 HA SER 110 HA SER 110 9.114 7.583 9.366 806 HB2 SER 110 1HB SER 110 9.371 5.878 11.084 807 HB3 SER 110 2HB SER 110 9.830 4.684 9.870 808 HG SER 110 HG SER 110 11.760 5.606 9.661 809 H ARG 111 H ARG 111 9.110 4.648 7.386 810 HA ARG 111 HA ARG 111 11.433 5.298 5.898 811 HB2 ARG 111 1HB ARG 111 10.783 3.024 5.907 812 HB3 ARG 111 2HB ARG 111 9.137 3.410 5.423 813 HG2 ARG 111 1HG ARG 111 10.106 2.517 3.506 814 HG3 ARG 111 2HG ARG 111 10.170 4.261 3.246 815 HD2 ARG 111 1HD ARG 111 12.487 4.327 3.868 816 HD3 ARG 111 2HD ARG 111 12.450 2.633 4.355 817 HE ARG 111 HE ARG 111 11.716 2.946 1.626 818 HH11 ARG 111 2HH1 ARG 111 14.447 2.893 3.784 819 HH12 ARG 111 1HH1 ARG 111 15.565 2.372 2.566 820 HH21 ARG 111 2HH2 ARG 111 13.177 2.261 0.014 821 HH22 ARG 111 1HH2 ARG 111 14.841 2.014 0.422 822 H ALA 112 H ALA 112 7.984 5.428 4.988 823 HA ALA 112 HA ALA 112 8.069 6.487 2.513 824 HB1 ALA 112 1HB ALA 112 6.105 8.037 3.743 825 HB2 ALA 112 2HB ALA 112 5.891 6.474 2.953 826 HB3 ALA 112 3HB ALA 112 6.181 6.551 4.691 827 H LEU 113 H LEU 113 8.686 8.243 5.508 828 HA LEU 113 HA LEU 113 8.827 10.824 4.355 829 HB2 LEU 113 1HB LEU 113 9.944 9.663 6.893 830 HB3 LEU 113 2HB LEU 113 10.144 11.357 6.452 831 HG LEU 113 HG LEU 113 7.470 10.014 6.825 832 HD11 LEU 113 1HD1 LEU 113 8.533 9.975 8.947 833 HD12 LEU 113 2HD1 LEU 113 7.423 11.344 8.952 834 HD13 LEU 113 3HD1 LEU 113 9.153 11.613 8.741 835 HD21 LEU 113 1HD2 LEU 113 6.814 11.847 5.717 836 HD22 LEU 113 2HD2 LEU 113 8.365 12.657 5.940 837 HD23 LEU 113 3HD2 LEU 113 7.157 12.694 7.225 838 H ASP 114 H ASP 114 11.314 8.423 5.161 839 HA ASP 114 HA ASP 114 13.586 9.848 4.522 840 HB2 ASP 114 1HB ASP 114 13.464 7.516 5.487 841 HB3 ASP 114 2HB ASP 114 13.180 6.931 3.850 842 H LEU 115 H LEU 115 11.158 8.568 2.411 843 HA LEU 115 HA LEU 115 12.814 8.979 0.043 844 HB2 LEU 115 1HB LEU 115 9.951 8.055 0.182 845 HB3 LEU 115 2HB LEU 115 11.046 7.939 -1.194 846 HG LEU 115 HG LEU 115 11.363 6.431 1.400 847 HD11 LEU 115 1HD1 LEU 115 10.604 5.239 -1.240 848 HD12 LEU 115 2HD1 LEU 115 9.378 5.860 -0.134 849 HD13 LEU 115 3HD1 LEU 115 10.448 4.555 0.379 850 HD21 LEU 115 1HD2 LEU 115 12.780 6.037 -1.228 851 HD22 LEU 115 2HD2 LEU 115 13.111 5.235 0.308 852 HD23 LEU 115 3HD2 LEU 115 13.450 6.956 0.120 853 H PHE 116 H PHE 116 9.777 10.153 1.456 854 HA PHE 116 HA PHE 116 8.756 11.842 -0.332 855 HB2 PHE 116 1HB PHE 116 7.810 11.789 1.858 856 HB3 PHE 116 2HB PHE 116 9.291 12.407 2.583 857 HD1 PHE 116 2HD PHE 116 6.858 13.423 -0.062 858 HD2 PHE 116 1HD PHE 116 9.255 14.592 3.256 859 HE1 PHE 116 2HE PHE 116 5.982 15.715 -0.242 860 HE2 PHE 116 1HE PHE 116 8.382 16.886 3.082 861 HZ PHE 116 HZ PHE 116 6.744 17.450 1.331 862 H SER 117 H SER 117 11.568 12.678 1.682 863 HA SER 117 HA SER 117 12.026 15.218 0.603 864 HB2 SER 117 1HB SER 117 13.095 13.986 2.667 865 HB3 SER 117 2HB SER 117 14.321 13.509 1.493 866 HG SER 117 HG SER 117 13.907 15.917 2.684 867 H ASP 118 H ASP 118 13.339 12.056 -0.324 868 HA ASP 118 HA ASP 118 15.159 12.783 -2.242 869 HB2 ASP 118 1HB ASP 118 13.236 10.462 -2.492 870 HB3 ASP 118 2HB ASP 118 14.819 10.607 -3.251 871 H ASN 119 H ASN 119 11.723 12.045 -2.863 872 HA ASN 119 HA ASN 119 11.899 13.187 -5.514 873 HB2 ASN 119 1HB ASN 119 9.542 12.057 -3.988 874 HB3 ASN 119 2HB ASN 119 9.504 12.559 -5.675 875 HD21 ASN 119 1HD2 ASN 119 10.324 10.097 -3.464 876 HD22 ASN 119 2HD2 ASN 119 10.927 8.952 -4.608 877 H ALA 120 H ALA 120 9.483 13.749 -2.961 878 HA ALA 120 HA ALA 120 8.804 16.324 -3.882 879 HB1 ALA 120 1HB ALA 120 8.239 14.760 -1.409 880 HB2 ALA 120 2HB ALA 120 7.851 16.480 -1.446 881 HB3 ALA 120 3HB ALA 120 7.127 15.387 -2.626 882 HA PRO 121 HA PRO 121 12.089 18.785 -2.270 883 HB2 PRO 121 1HB PRO 121 10.837 21.193 -2.303 884 HB3 PRO 121 2HB PRO 121 11.412 20.389 -3.768 885 HG2 PRO 121 1HG PRO 121 8.649 20.484 -2.619 886 HG3 PRO 121 2HG PRO 121 9.166 20.656 -4.307 887 HD2 PRO 121 1HD PRO 121 8.152 18.346 -3.321 888 HD3 PRO 121 2HD PRO 121 9.378 18.380 -4.605 889 HA PRO 122 HA PRO 122 11.370 19.128 2.071 890 HB2 PRO 122 1HB PRO 122 13.406 20.805 2.711 891 HB3 PRO 122 2HB PRO 122 13.656 19.104 2.299 892 HG2 PRO 122 1HG PRO 122 13.984 21.536 0.584 893 HG3 PRO 122 2HG PRO 122 15.030 20.110 0.716 894 HD2 PRO 122 1HD PRO 122 13.270 20.442 -1.314 895 HD3 PRO 122 2HD PRO 122 13.691 18.843 -0.668 896 HA PRO 123 HA PRO 123 9.141 22.797 3.017 897 HB2 PRO 123 1HB PRO 123 9.772 23.234 5.622 898 HB3 PRO 123 2HB PRO 123 8.726 21.910 5.096 899 HG2 PRO 123 1HG PRO 123 11.636 21.862 5.800 900 HG3 PRO 123 2HG PRO 123 10.360 20.709 6.235 901 HD2 PRO 123 1HD PRO 123 12.115 20.249 4.225 902 HD3 PRO 123 2HD PRO 123 10.444 19.651 4.189 903 H GLU 124 H GLU 124 10.392 24.163 1.572 904 HA GLU 124 HA GLU 124 11.460 26.435 2.880 905 HB2 GLU 124 1HB GLU 124 13.355 24.600 2.856 906 HB3 GLU 124 2HB GLU 124 13.545 25.122 1.188 907 HG2 GLU 124 1HG GLU 124 14.103 27.320 1.834 908 HG3 GLU 124 2HG GLU 124 13.584 27.040 3.496 909 H LEU 125 H LEU 125 10.703 28.017 1.656 910 HA LEU 125 HA LEU 125 9.493 27.989 -0.715 911 HB2 LEU 125 1HB LEU 125 10.238 30.302 -1.106 912 HB3 LEU 125 2HB LEU 125 9.703 30.019 0.549 913 HG LEU 125 HG LEU 125 12.615 29.836 -0.036 914 HD11 LEU 125 1HD1 LEU 125 11.429 32.510 0.543 915 HD12 LEU 125 2HD1 LEU 125 11.522 31.941 -1.123 916 HD13 LEU 125 3HD1 LEU 125 12.992 32.100 -0.162 917 HD21 LEU 125 1HD2 LEU 125 12.725 29.835 2.180 918 HD22 LEU 125 2HD2 LEU 125 10.962 29.813 2.231 919 HD23 LEU 125 3HD2 LEU 125 11.827 31.350 2.270 920 H LEU 126 H LEU 126 9.950 27.990 -2.886 921 HA LEU 126 HA LEU 126 12.561 28.237 -3.962 922 HB2 LEU 126 1HB LEU 126 12.387 25.879 -2.811 923 HB3 LEU 126 2HB LEU 126 11.521 25.463 -4.288 924 HG LEU 126 HG LEU 126 14.208 26.742 -4.500 925 HD11 LEU 126 1HD1 LEU 126 15.016 24.258 -4.583 926 HD12 LEU 126 2HD1 LEU 126 13.634 23.985 -3.522 927 HD13 LEU 126 3HD1 LEU 126 14.904 25.111 -3.043 928 HD21 LEU 126 1HD2 LEU 126 12.333 25.733 -6.284 929 HD22 LEU 126 2HD2 LEU 126 13.588 24.496 -6.213 930 HD23 LEU 126 3HD2 LEU 126 14.009 26.156 -6.637 931 H GLU 127 H GLU 127 12.440 28.709 -6.084 932 HA GLU 127 HA GLU 127 10.097 29.348 -7.343 933 HB2 GLU 127 1HB GLU 127 12.561 29.801 -8.027 934 HB3 GLU 127 2HB GLU 127 12.418 28.304 -8.938 935 HG2 GLU 127 1HG GLU 127 10.666 29.198 -10.280 936 HG3 GLU 127 2HG GLU 127 10.543 30.632 -9.262 937 H SER 128 H SER 128 8.833 28.387 -8.989 938 HA SER 128 HA SER 128 8.477 25.538 -8.620 939 HB2 SER 128 1HB SER 128 6.491 25.885 -10.123 940 HB3 SER 128 2HB SER 128 6.476 26.876 -8.665 941 HG SER 128 HG SER 128 7.162 28.629 -9.893 942 H GLY 129 H GLY 129 9.029 27.717 -11.389 943 HA2 GLY 129 1HA GLY 129 10.897 26.905 -12.878 944 HA3 GLY 129 2HA GLY 129 10.027 25.378 -12.891 945 HA PRO 130 HA PRO 130 8.359 28.681 -16.017 946 HB2 PRO 130 1HB PRO 130 10.155 28.571 -18.051 947 HB3 PRO 130 2HB PRO 130 10.266 29.745 -16.733 948 HG2 PRO 130 1HG PRO 130 11.730 27.159 -17.095 949 HG3 PRO 130 2HG PRO 130 12.349 28.728 -16.547 950 HD2 PRO 130 1HD PRO 130 11.756 26.716 -14.834 951 HD3 PRO 130 2HD PRO 130 11.567 28.427 -14.399 952 H SER 131 H SER 131 6.740 27.192 -16.400 953 HA SER 131 HA SER 131 5.592 25.507 -17.418 954 HB2 SER 131 1HB SER 131 7.587 26.126 -19.609 955 HB3 SER 131 2HB SER 131 6.134 25.150 -19.824 956 HG SER 131 HG SER 131 4.968 27.054 -19.049 957 H SER 132 H SER 132 7.384 24.536 -15.613 958 HA SER 132 HA SER 132 8.767 22.781 -15.060 959 HB2 SER 132 1HB SER 132 7.801 20.591 -15.795 960 HB3 SER 132 2HB SER 132 6.607 21.696 -15.113 961 HG SER 132 HG SER 132 5.594 21.272 -16.914 962 H GLY 133 H GLY 133 9.982 24.248 -17.056 963 HA2 GLY 133 1HA GLY 133 11.997 22.645 -17.971 964 HA3 GLY 133 2HA GLY 133 10.783 22.562 -19.240 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -10.951 6.954 -11.056 2 HA2 GLY 1 1HA GLY 1 -9.725 7.487 -8.487 3 HA3 GLY 1 2HA GLY 1 -10.801 8.754 -9.057 4 H SER 2 H SER 2 -10.880 6.691 -6.806 5 HA SER 2 HA SER 2 -13.664 5.899 -7.279 6 HB2 SER 2 1HB SER 2 -11.485 4.090 -6.212 7 HB3 SER 2 2HB SER 2 -13.206 3.708 -6.165 8 HG SER 2 HG SER 2 -11.455 3.476 -8.211 9 H SER 3 H SER 3 -14.568 4.974 -5.093 10 HA SER 3 HA SER 3 -14.412 7.102 -3.212 11 HB2 SER 3 1HB SER 3 -16.503 5.913 -3.516 12 HB3 SER 3 2HB SER 3 -15.749 4.391 -3.041 13 HG SER 3 HG SER 3 -15.576 6.510 -1.244 14 H GLY 4 H GLY 4 -13.536 3.650 -2.969 15 HA2 GLY 4 1HA GLY 4 -11.333 3.111 -2.031 16 HA3 GLY 4 2HA GLY 4 -11.587 4.419 -0.885 17 H SER 5 H SER 5 -11.155 1.390 -0.697 18 HA SER 5 HA SER 5 -13.523 0.741 0.922 19 HB2 SER 5 1HB SER 5 -12.821 -1.607 0.714 20 HB3 SER 5 2HB SER 5 -13.019 -0.863 -0.872 21 HG SER 5 HG SER 5 -10.754 -0.595 -0.947 22 H SER 6 H SER 6 -9.976 0.579 0.943 23 HA SER 6 HA SER 6 -9.982 0.052 3.809 24 HB2 SER 6 1HB SER 6 -7.910 -0.023 1.649 25 HB3 SER 6 2HB SER 6 -7.393 0.147 3.326 26 HG SER 6 HG SER 6 -8.900 -1.752 3.639 27 H GLY 7 H GLY 7 -10.994 2.582 2.951 28 HA2 GLY 7 1HA GLY 7 -10.846 4.796 3.536 29 HA3 GLY 7 2HA GLY 7 -9.664 4.293 4.735 30 H ASP 8 H ASP 8 -8.248 5.973 4.486 31 HA ASP 8 HA ASP 8 -7.406 7.324 2.315 32 HB2 ASP 8 1HB ASP 8 -6.574 7.536 4.713 33 HB3 ASP 8 2HB ASP 8 -5.414 6.270 4.320 34 H VAL 9 H VAL 9 -6.670 4.000 3.054 35 HA VAL 9 HA VAL 9 -4.537 3.670 1.209 36 HB VAL 9 HB VAL 9 -6.415 1.674 2.470 37 HG11 VAL 9 1HG1 VAL 9 -4.443 1.340 0.320 38 HG12 VAL 9 2HG1 VAL 9 -4.286 0.202 1.660 39 HG13 VAL 9 3HG1 VAL 9 -5.809 0.323 0.778 40 HG21 VAL 9 1HG2 VAL 9 -3.478 1.989 2.981 41 HG22 VAL 9 2HG2 VAL 9 -4.664 2.988 3.821 42 HG23 VAL 9 3HG2 VAL 9 -4.706 1.234 3.997 43 H ILE 10 H ILE 10 -4.538 3.284 -0.923 44 HA ILE 10 HA ILE 10 -7.141 3.137 -2.273 45 HB ILE 10 HB ILE 10 -4.430 3.866 -3.388 46 HG12 ILE 10 1HG1 ILE 10 -6.846 5.636 -3.003 47 HG13 ILE 10 2HG1 ILE 10 -5.552 5.510 -1.816 48 HG21 ILE 10 1HG2 ILE 10 -7.027 4.271 -4.813 49 HG22 ILE 10 2HG2 ILE 10 -5.393 4.174 -5.469 50 HG23 ILE 10 3HG2 ILE 10 -6.200 2.715 -4.895 51 HD11 ILE 10 1HD1 ILE 10 -5.478 6.678 -4.564 52 HD12 ILE 10 2HD1 ILE 10 -4.998 7.399 -3.027 53 HD13 ILE 10 3HD1 ILE 10 -4.000 6.145 -3.763 54 H GLU 11 H GLU 11 -7.733 1.403 -3.433 55 HA GLU 11 HA GLU 11 -5.929 -0.890 -3.458 56 HB2 GLU 11 1HB GLU 11 -8.258 -1.147 -2.632 57 HB3 GLU 11 2HB GLU 11 -8.846 -0.732 -4.235 58 HG2 GLU 11 1HG GLU 11 -7.801 -2.701 -5.168 59 HG3 GLU 11 2HG GLU 11 -7.104 -3.101 -3.599 60 H LEU 12 H LEU 12 -4.854 -1.509 -5.210 61 HA LEU 12 HA LEU 12 -5.723 -0.463 -7.825 62 HB2 LEU 12 1HB LEU 12 -2.913 -1.188 -7.020 63 HB3 LEU 12 2HB LEU 12 -3.426 -0.418 -8.520 64 HG LEU 12 HG LEU 12 -3.792 0.903 -5.844 65 HD11 LEU 12 1HD1 LEU 12 -1.615 2.034 -7.267 66 HD12 LEU 12 2HD1 LEU 12 -1.322 0.303 -7.102 67 HD13 LEU 12 3HD1 LEU 12 -1.619 1.287 -5.669 68 HD21 LEU 12 1HD2 LEU 12 -4.485 2.695 -7.003 69 HD22 LEU 12 2HD2 LEU 12 -4.794 1.528 -8.290 70 HD23 LEU 12 3HD2 LEU 12 -3.294 2.456 -8.282 71 H THR 13 H THR 13 -5.180 -1.814 -9.688 72 HA THR 13 HA THR 13 -5.187 -4.681 -8.999 73 HB THR 13 HB THR 13 -6.509 -5.084 -11.034 74 HG1 THR 13 1HG THR 13 -6.745 -3.536 -12.450 75 HG21 THR 13 1HG2 THR 13 -7.486 -4.406 -8.693 76 HG22 THR 13 2HG2 THR 13 -8.549 -4.562 -10.093 77 HG23 THR 13 3HG2 THR 13 -8.017 -2.967 -9.564 78 H ASP 14 H ASP 14 -4.764 -5.894 -11.306 79 HA ASP 14 HA ASP 14 -2.017 -5.579 -11.784 80 HB2 ASP 14 1HB ASP 14 -2.623 -7.028 -13.885 81 HB3 ASP 14 2HB ASP 14 -2.769 -7.713 -12.268 82 H ASP 15 H ASP 15 -4.816 -4.184 -13.315 83 HA ASP 15 HA ASP 15 -3.149 -3.015 -15.426 84 HB2 ASP 15 1HB ASP 15 -5.305 -2.344 -16.455 85 HB3 ASP 15 2HB ASP 15 -5.180 -4.084 -16.213 86 H SER 16 H SER 16 -5.045 -2.206 -12.611 87 HA SER 16 HA SER 16 -4.745 0.654 -13.096 88 HB2 SER 16 1HB SER 16 -6.247 -0.956 -11.037 89 HB3 SER 16 2HB SER 16 -6.041 0.789 -10.882 90 HG SER 16 HG SER 16 -7.382 1.107 -12.502 91 H PHE 17 H PHE 17 -2.570 -1.379 -12.301 92 HA PHE 17 HA PHE 17 -1.633 -0.095 -9.837 93 HB2 PHE 17 1HB PHE 17 -1.492 -2.413 -9.558 94 HB3 PHE 17 2HB PHE 17 -0.955 -2.675 -11.214 95 HD1 PHE 17 2HD PHE 17 1.371 -1.632 -11.810 96 HD2 PHE 17 1HD PHE 17 0.050 -2.491 -7.856 97 HE1 PHE 17 2HE PHE 17 3.709 -1.683 -11.043 98 HE2 PHE 17 1HE PHE 17 2.385 -2.542 -7.083 99 HZ PHE 17 HZ PHE 17 4.218 -2.139 -8.677 100 H ASP 18 H ASP 18 -0.999 -0.357 -13.225 101 HA ASP 18 HA ASP 18 1.632 0.876 -12.979 102 HB2 ASP 18 1HB ASP 18 0.210 0.209 -15.552 103 HB3 ASP 18 2HB ASP 18 1.940 0.400 -15.279 104 H LYS 19 H LYS 19 -1.429 1.536 -14.682 105 HA LYS 19 HA LYS 19 -0.737 4.144 -15.493 106 HB2 LYS 19 1HB LYS 19 -2.872 4.292 -16.340 107 HB3 LYS 19 2HB LYS 19 -2.694 2.546 -16.230 108 HG2 LYS 19 1HG LYS 19 -3.915 2.538 -14.125 109 HG3 LYS 19 2HG LYS 19 -4.069 4.295 -14.199 110 HD2 LYS 19 1HD LYS 19 -5.175 3.860 -16.499 111 HD3 LYS 19 2HD LYS 19 -5.371 2.207 -15.910 112 HE2 LYS 19 1HE LYS 19 -6.528 3.119 -13.910 113 HE3 LYS 19 2HE LYS 19 -6.427 4.726 -14.630 114 HZ1 LYS 19 1HZ LYS 19 -8.513 3.136 -14.947 115 HZ2 LYS 19 2HZ LYS 19 -7.600 2.633 -16.279 116 HZ3 LYS 19 3HZ LYS 19 -8.038 4.260 -16.119 117 H ASN 20 H ASN 20 -1.268 2.969 -12.434 118 HA ASN 20 HA ASN 20 -2.309 5.524 -11.425 119 HB2 ASN 20 1HB ASN 20 -2.293 2.728 -10.346 120 HB3 ASN 20 2HB ASN 20 -2.409 4.087 -9.231 121 HD21 ASN 20 1HD2 ASN 20 -3.917 2.542 -12.000 122 HD22 ASN 20 2HD2 ASN 20 -5.507 3.153 -11.708 123 H VAL 21 H VAL 21 0.418 3.334 -11.280 124 HA VAL 21 HA VAL 21 1.780 5.053 -9.342 125 HB VAL 21 HB VAL 21 2.533 2.358 -10.476 126 HG11 VAL 21 1HG1 VAL 21 4.444 2.366 -9.032 127 HG12 VAL 21 2HG1 VAL 21 4.500 3.823 -10.026 128 HG13 VAL 21 3HG1 VAL 21 3.979 3.922 -8.344 129 HG21 VAL 21 1HG2 VAL 21 2.366 2.244 -7.703 130 HG22 VAL 21 2HG2 VAL 21 0.986 3.227 -8.192 131 HG23 VAL 21 3HG2 VAL 21 1.196 1.608 -8.859 132 H LEU 22 H LEU 22 2.705 3.391 -12.364 133 HA LEU 22 HA LEU 22 4.953 4.935 -12.909 134 HB2 LEU 22 1HB LEU 22 3.233 3.879 -15.114 135 HB3 LEU 22 2HB LEU 22 4.991 3.947 -15.008 136 HG LEU 22 HG LEU 22 3.152 2.018 -13.600 137 HD11 LEU 22 1HD1 LEU 22 5.372 1.502 -15.567 138 HD12 LEU 22 2HD1 LEU 22 3.670 1.628 -16.013 139 HD13 LEU 22 3HD1 LEU 22 4.204 0.344 -14.929 140 HD21 LEU 22 1HD2 LEU 22 6.075 1.683 -13.421 141 HD22 LEU 22 2HD2 LEU 22 4.816 1.347 -12.233 142 HD23 LEU 22 3HD2 LEU 22 5.390 2.999 -12.468 143 H ASP 23 H ASP 23 1.695 5.272 -14.323 144 HA ASP 23 HA ASP 23 2.183 7.597 -15.779 145 HB2 ASP 23 1HB ASP 23 0.100 5.995 -15.692 146 HB3 ASP 23 2HB ASP 23 -0.489 7.153 -14.503 147 H SER 24 H SER 24 2.097 7.167 -12.433 148 HA SER 24 HA SER 24 1.545 10.019 -11.965 149 HB2 SER 24 1HB SER 24 0.314 8.021 -10.733 150 HB3 SER 24 2HB SER 24 1.754 8.063 -9.715 151 HG SER 24 HG SER 24 0.965 9.763 -8.789 152 H GLU 25 H GLU 25 3.048 11.326 -11.048 153 HA GLU 25 HA GLU 25 5.767 10.325 -10.955 154 HB2 GLU 25 1HB GLU 25 6.351 12.723 -10.572 155 HB3 GLU 25 2HB GLU 25 5.449 12.433 -12.053 156 HG2 GLU 25 1HG GLU 25 3.581 13.503 -11.295 157 HG3 GLU 25 2HG GLU 25 3.938 13.162 -9.603 158 H ASP 26 H ASP 26 3.270 10.473 -8.804 159 HA ASP 26 HA ASP 26 4.836 11.199 -6.470 160 HB2 ASP 26 1HB ASP 26 1.968 10.624 -7.023 161 HB3 ASP 26 2HB ASP 26 2.554 10.326 -5.388 162 H VAL 27 H VAL 27 5.183 9.787 -4.684 163 HA VAL 27 HA VAL 27 6.005 7.171 -5.455 164 HB VAL 27 HB VAL 27 5.789 8.370 -2.690 165 HG11 VAL 27 1HG1 VAL 27 5.916 6.064 -2.352 166 HG12 VAL 27 2HG1 VAL 27 7.008 5.830 -3.719 167 HG13 VAL 27 3HG1 VAL 27 7.593 6.599 -2.243 168 HG21 VAL 27 1HG2 VAL 27 7.273 9.672 -4.073 169 HG22 VAL 27 2HG2 VAL 27 8.230 8.721 -2.936 170 HG23 VAL 27 3HG2 VAL 27 8.102 8.214 -4.620 171 H TRP 28 H TRP 28 5.004 5.259 -5.255 172 HA TRP 28 HA TRP 28 2.424 5.204 -3.831 173 HB2 TRP 28 1HB TRP 28 3.207 4.067 -6.495 174 HB3 TRP 28 2HB TRP 28 1.922 3.309 -5.558 175 HD1 TRP 28 HD TRP 28 2.741 6.551 -7.437 176 HE1 TRP 28 1HE TRP 28 0.541 7.801 -7.906 177 HE3 TRP 28 3HE TRP 28 -0.455 3.609 -4.741 178 HZ2 TRP 28 2HZ TRP 28 -2.189 7.571 -7.223 179 HZ3 TRP 28 3HZ TRP 28 -2.845 4.193 -4.700 180 HH2 TRP 28 HH TRP 28 -3.692 6.134 -5.916 181 H MET 29 H MET 29 2.482 3.933 -2.108 182 HA MET 29 HA MET 29 4.505 1.838 -1.926 183 HB2 MET 29 1HB MET 29 2.842 3.352 0.021 184 HB3 MET 29 2HB MET 29 3.336 1.726 0.471 185 HG2 MET 29 1HG MET 29 5.690 2.384 0.021 186 HG3 MET 29 2HG MET 29 5.127 4.033 -0.244 187 HE1 MET 29 1HE MET 29 6.914 2.040 1.617 188 HE2 MET 29 2HE MET 29 7.111 2.959 3.110 189 HE3 MET 29 3HE MET 29 6.062 1.540 3.078 190 H VAL 30 H VAL 30 3.884 0.002 -2.900 191 HA VAL 30 HA VAL 30 1.120 -0.896 -2.728 192 HB VAL 30 HB VAL 30 3.467 -2.168 -4.145 193 HG11 VAL 30 1HG1 VAL 30 1.869 -3.856 -3.762 194 HG12 VAL 30 2HG1 VAL 30 0.522 -2.773 -4.121 195 HG13 VAL 30 3HG1 VAL 30 1.591 -3.312 -5.416 196 HG21 VAL 30 1HG2 VAL 30 3.119 -0.822 -5.892 197 HG22 VAL 30 2HG2 VAL 30 1.368 -1.002 -5.787 198 HG23 VAL 30 3HG2 VAL 30 2.193 0.193 -4.787 199 H GLU 31 H GLU 31 0.422 -2.286 -1.250 200 HA GLU 31 HA GLU 31 2.389 -4.034 0.076 201 HB2 GLU 31 1HB GLU 31 1.809 -2.422 1.708 202 HB3 GLU 31 2HB GLU 31 0.109 -2.467 1.263 203 HG2 GLU 31 1HG GLU 31 0.582 -3.577 3.406 204 HG3 GLU 31 2HG GLU 31 -0.144 -4.653 2.214 205 H PHE 32 H PHE 32 2.014 -5.972 -0.823 206 HA PHE 32 HA PHE 32 -0.618 -6.845 -1.566 207 HB2 PHE 32 1HB PHE 32 1.934 -8.460 -1.402 208 HB3 PHE 32 2HB PHE 32 0.467 -8.900 -2.271 209 HD1 PHE 32 2HD PHE 32 3.261 -6.483 -2.177 210 HD2 PHE 32 1HD PHE 32 0.081 -8.150 -4.461 211 HE1 PHE 32 2HE PHE 32 4.123 -5.359 -4.189 212 HE2 PHE 32 1HE PHE 32 0.937 -7.030 -6.478 213 HZ PHE 32 HZ PHE 32 2.960 -5.631 -6.343 214 H TYR 33 H TYR 33 -2.043 -7.933 -0.375 215 HA TYR 33 HA TYR 33 -1.127 -9.451 1.953 216 HB2 TYR 33 1HB TYR 33 -2.527 -8.386 3.492 217 HB3 TYR 33 2HB TYR 33 -1.877 -7.048 2.551 218 HD1 TYR 33 1HD TYR 33 -4.830 -9.316 2.739 219 HD2 TYR 33 2HD TYR 33 -3.328 -5.505 1.588 220 HE1 TYR 33 1HE TYR 33 -7.118 -8.576 2.225 221 HE2 TYR 33 2HE TYR 33 -5.612 -4.754 1.072 222 HH TYR 33 HH TYR 33 -8.038 -6.531 0.463 223 H ALA 34 H ALA 34 -2.856 -10.855 2.842 224 HA ALA 34 HA ALA 34 -4.778 -11.646 0.751 225 HB1 ALA 34 1HB ALA 34 -2.824 -13.255 2.278 226 HB2 ALA 34 2HB ALA 34 -4.413 -13.974 2.014 227 HB3 ALA 34 3HB ALA 34 -3.435 -13.465 0.637 228 HA PRO 35 HA PRO 35 -7.881 -11.083 3.834 229 HB2 PRO 35 1HB PRO 35 -9.862 -12.530 2.669 230 HB3 PRO 35 2HB PRO 35 -9.366 -10.936 2.086 231 HG2 PRO 35 1HG PRO 35 -8.622 -13.646 1.054 232 HG3 PRO 35 2HG PRO 35 -9.066 -12.187 0.149 233 HD2 PRO 35 1HD PRO 35 -6.496 -12.975 0.472 234 HD3 PRO 35 2HD PRO 35 -6.964 -11.266 0.356 235 H TRP 36 H TRP 36 -6.364 -14.013 3.145 236 HA TRP 36 HA TRP 36 -7.798 -15.371 5.332 237 HB2 TRP 36 1HB TRP 36 -6.587 -17.438 4.199 238 HB3 TRP 36 2HB TRP 36 -8.120 -16.827 3.583 239 HD1 TRP 36 HD TRP 36 -8.176 -16.177 1.094 240 HE1 TRP 36 1HE TRP 36 -6.413 -15.893 -0.760 241 HE3 TRP 36 3HE TRP 36 -3.942 -16.639 3.922 242 HZ2 TRP 36 2HZ TRP 36 -3.600 -15.869 -0.992 243 HZ3 TRP 36 3HZ TRP 36 -1.755 -16.474 2.807 244 HH2 TRP 36 HH TRP 36 -1.590 -16.097 0.401 245 H CYS 37 H CYS 37 -5.081 -13.681 4.746 246 HA CYS 37 HA CYS 37 -3.265 -15.394 6.255 247 HB2 CYS 37 1HB CYS 37 -2.683 -13.926 4.158 248 HB3 CYS 37 2HB CYS 37 -2.560 -12.630 5.341 249 HG CYS 37 HG CYS 37 -0.119 -13.133 5.915 250 H GLY 38 H GLY 38 -3.195 -15.282 8.394 251 HA2 GLY 38 1HA GLY 38 -4.517 -13.199 9.845 252 HA3 GLY 38 2HA GLY 38 -3.587 -14.521 10.536 253 H HIS 39 H HIS 39 -1.214 -13.816 8.905 254 HA HIS 39 HA HIS 39 0.006 -12.055 10.772 255 HB2 HIS 39 1HB HIS 39 0.877 -13.405 8.247 256 HB3 HIS 39 2HB HIS 39 1.874 -12.117 8.918 257 HD1 HIS 39 1HD HIS 39 3.642 -12.957 10.412 258 HD2 HIS 39 2HD HIS 39 0.306 -15.433 10.444 259 HE1 HIS 39 1HE HIS 39 4.230 -14.857 11.951 260 HE2 HIS 39 2HE HIS 39 2.230 -16.386 11.887 261 H CYS 40 H CYS 40 -1.713 -11.574 7.843 262 HA CYS 40 HA CYS 40 -0.623 -8.887 7.474 263 HB2 CYS 40 1HB CYS 40 -2.544 -10.519 5.804 264 HB3 CYS 40 2HB CYS 40 -2.038 -8.880 5.411 265 HG CYS 40 HG CYS 40 -0.726 -11.447 4.239 266 H LYS 41 H LYS 41 -3.666 -10.540 8.179 267 HA LYS 41 HA LYS 41 -5.463 -8.479 8.145 268 HB2 LYS 41 1HB LYS 41 -6.859 -9.834 9.349 269 HB3 LYS 41 2HB LYS 41 -5.656 -11.025 8.872 270 HG2 LYS 41 1HG LYS 41 -4.586 -10.885 11.016 271 HG3 LYS 41 2HG LYS 41 -5.641 -9.554 11.499 272 HD2 LYS 41 1HD LYS 41 -6.803 -12.188 10.675 273 HD3 LYS 41 2HD LYS 41 -6.176 -11.961 12.309 274 HE2 LYS 41 1HE LYS 41 -8.182 -10.101 11.058 275 HE3 LYS 41 2HE LYS 41 -8.652 -11.530 11.976 276 HZ1 LYS 41 1HZ LYS 41 -7.184 -10.558 13.800 277 HZ2 LYS 41 2HZ LYS 41 -8.679 -9.817 13.524 278 HZ3 LYS 41 3HZ LYS 41 -7.262 -9.107 12.932 279 H ASN 42 H ASN 42 -2.939 -9.078 10.482 280 HA ASN 42 HA ASN 42 -3.895 -7.228 12.438 281 HB2 ASN 42 1HB ASN 42 -1.335 -8.727 12.007 282 HB3 ASN 42 2HB ASN 42 -1.392 -7.423 13.190 283 HD21 ASN 42 1HD2 ASN 42 -0.991 -10.280 13.579 284 HD22 ASN 42 2HD2 ASN 42 -2.240 -10.797 14.654 285 H LEU 43 H LEU 43 -1.835 -7.030 9.627 286 HA LEU 43 HA LEU 43 -0.886 -4.375 10.268 287 HB2 LEU 43 1HB LEU 43 0.698 -5.568 9.086 288 HB3 LEU 43 2HB LEU 43 -0.499 -6.294 8.016 289 HG LEU 43 HG LEU 43 -0.765 -3.909 7.062 290 HD11 LEU 43 1HD1 LEU 43 1.917 -3.671 8.418 291 HD12 LEU 43 2HD1 LEU 43 0.470 -2.731 8.782 292 HD13 LEU 43 3HD1 LEU 43 1.271 -2.547 7.222 293 HD21 LEU 43 1HD2 LEU 43 1.620 -4.375 5.876 294 HD22 LEU 43 2HD2 LEU 43 0.131 -5.232 5.477 295 HD23 LEU 43 3HD2 LEU 43 1.295 -5.955 6.589 296 H GLU 44 H GLU 44 -3.556 -5.788 8.636 297 HA GLU 44 HA GLU 44 -4.323 -4.145 6.660 298 HB2 GLU 44 1HB GLU 44 -5.955 -5.683 7.074 299 HB3 GLU 44 2HB GLU 44 -5.824 -5.513 8.819 300 HG2 GLU 44 1HG GLU 44 -7.173 -3.589 8.839 301 HG3 GLU 44 2HG GLU 44 -7.047 -3.386 7.093 302 HA PRO 45 HA PRO 45 -6.001 -0.747 9.658 303 HB2 PRO 45 1HB PRO 45 -5.338 -0.964 12.281 304 HB3 PRO 45 2HB PRO 45 -6.795 -1.692 11.596 305 HG2 PRO 45 1HG PRO 45 -4.155 -2.961 12.214 306 HG3 PRO 45 2HG PRO 45 -5.791 -3.580 12.509 307 HD2 PRO 45 1HD PRO 45 -4.282 -4.391 10.412 308 HD3 PRO 45 2HD PRO 45 -6.053 -4.285 10.330 309 H GLU 46 H GLU 46 -2.908 -2.114 10.770 310 HA GLU 46 HA GLU 46 -1.633 0.248 11.478 311 HB2 GLU 46 1HB GLU 46 -0.605 -2.378 10.438 312 HB3 GLU 46 2HB GLU 46 0.495 -1.054 10.795 313 HG2 GLU 46 1HG GLU 46 0.017 -1.106 13.072 314 HG3 GLU 46 2HG GLU 46 -1.470 -2.022 12.833 315 H TRP 47 H TRP 47 -2.107 -1.202 8.321 316 HA TRP 47 HA TRP 47 -0.344 0.624 6.970 317 HB2 TRP 47 1HB TRP 47 -0.844 -1.693 6.155 318 HB3 TRP 47 2HB TRP 47 -2.476 -1.153 5.770 319 HD1 TRP 47 HD TRP 47 -2.822 0.183 3.545 320 HE1 TRP 47 1HE TRP 47 -1.277 0.790 1.577 321 HE3 TRP 47 3HE TRP 47 1.677 -1.055 5.633 322 HZ2 TRP 47 2HZ TRP 47 1.483 0.749 0.988 323 HZ3 TRP 47 3HZ TRP 47 3.722 -0.742 4.301 324 HH2 TRP 47 HH TRP 47 3.625 0.141 2.027 325 H ALA 48 H ALA 48 -3.836 0.315 7.429 326 HA ALA 48 HA ALA 48 -4.716 2.305 5.707 327 HB1 ALA 48 1HB ALA 48 -6.555 1.311 6.511 328 HB2 ALA 48 2HB ALA 48 -5.787 0.917 8.050 329 HB3 ALA 48 3HB ALA 48 -6.463 2.524 7.788 330 H ALA 49 H ALA 49 -3.736 2.588 9.113 331 HA ALA 49 HA ALA 49 -4.187 5.378 9.298 332 HB1 ALA 49 1HB ALA 49 -2.205 3.874 10.978 333 HB2 ALA 49 2HB ALA 49 -3.196 5.266 11.417 334 HB3 ALA 49 3HB ALA 49 -3.946 3.685 11.195 335 H ALA 50 H ALA 50 -1.189 3.496 8.879 336 HA ALA 50 HA ALA 50 0.687 5.461 8.789 337 HB1 ALA 50 1HB ALA 50 1.970 3.745 8.220 338 HB2 ALA 50 2HB ALA 50 0.524 2.777 7.930 339 HB3 ALA 50 3HB ALA 50 1.243 3.703 6.614 340 H ALA 51 H ALA 51 -1.534 4.558 6.189 341 HA ALA 51 HA ALA 51 -0.481 6.119 4.138 342 HB1 ALA 51 1HB ALA 51 -2.431 5.707 2.981 343 HB2 ALA 51 2HB ALA 51 -2.428 4.387 4.151 344 HB3 ALA 51 3HB ALA 51 -3.437 5.807 4.427 345 H SER 52 H SER 52 -2.929 6.962 6.575 346 HA SER 52 HA SER 52 -3.306 9.617 5.643 347 HB2 SER 52 1HB SER 52 -4.105 8.061 8.052 348 HB3 SER 52 2HB SER 52 -4.151 9.819 8.173 349 HG SER 52 HG SER 52 -5.975 8.295 7.128 350 H GLU 53 H GLU 53 -1.046 8.119 7.828 351 HA GLU 53 HA GLU 53 -0.130 10.595 8.973 352 HB2 GLU 53 1HB GLU 53 0.020 8.586 10.305 353 HB3 GLU 53 2HB GLU 53 0.984 7.789 9.070 354 HG2 GLU 53 1HG GLU 53 2.494 8.425 10.745 355 HG3 GLU 53 2HG GLU 53 2.715 9.589 9.440 356 H VAL 54 H VAL 54 0.591 8.707 6.185 357 HA VAL 54 HA VAL 54 3.191 9.933 5.765 358 HB VAL 54 HB VAL 54 1.592 7.954 4.148 359 HG11 VAL 54 1HG1 VAL 54 3.578 7.799 2.676 360 HG12 VAL 54 2HG1 VAL 54 2.760 9.359 2.575 361 HG13 VAL 54 3HG1 VAL 54 4.257 9.205 3.496 362 HG21 VAL 54 1HG2 VAL 54 4.155 7.003 4.782 363 HG22 VAL 54 2HG2 VAL 54 3.534 7.756 6.251 364 HG23 VAL 54 3HG2 VAL 54 2.613 6.478 5.459 365 H LYS 55 H LYS 55 -0.043 10.003 4.324 366 HA LYS 55 HA LYS 55 0.623 11.829 2.250 367 HB2 LYS 55 1HB LYS 55 -1.618 11.769 1.669 368 HB3 LYS 55 2HB LYS 55 -1.421 10.226 2.490 369 HG2 LYS 55 1HG LYS 55 -2.450 11.062 4.469 370 HG3 LYS 55 2HG LYS 55 -2.447 12.711 3.840 371 HD2 LYS 55 1HD LYS 55 -3.872 11.721 1.917 372 HD3 LYS 55 2HD LYS 55 -4.146 10.379 3.030 373 HE2 LYS 55 1HE LYS 55 -4.565 13.181 3.970 374 HE3 LYS 55 2HE LYS 55 -5.793 12.412 2.966 375 HZ1 LYS 55 1HZ LYS 55 -5.009 10.629 4.993 376 HZ2 LYS 55 2HZ LYS 55 -6.528 11.324 4.730 377 HZ3 LYS 55 3HZ LYS 55 -5.395 12.115 5.705 378 H GLU 56 H GLU 56 0.097 12.205 5.589 379 HA GLU 56 HA GLU 56 -0.708 14.995 5.379 380 HB2 GLU 56 1HB GLU 56 -1.111 14.939 7.690 381 HB3 GLU 56 2HB GLU 56 -1.594 13.345 7.127 382 HG2 GLU 56 1HG GLU 56 0.405 12.359 7.962 383 HG3 GLU 56 2HG GLU 56 1.100 13.939 8.320 384 H GLN 57 H GLN 57 2.087 13.058 6.264 385 HA GLN 57 HA GLN 57 3.626 15.373 7.069 386 HB2 GLN 57 1HB GLN 57 4.280 12.442 6.814 387 HB3 GLN 57 2HB GLN 57 5.494 13.648 7.222 388 HG2 GLN 57 1HG GLN 57 4.098 14.296 9.176 389 HG3 GLN 57 2HG GLN 57 3.033 12.942 8.799 390 HE21 GLN 57 1HE2 GLN 57 4.088 10.796 8.692 391 HE22 GLN 57 2HE2 GLN 57 5.348 10.458 9.825 392 H THR 58 H THR 58 3.413 13.188 4.318 393 HA THR 58 HA THR 58 5.619 14.507 2.961 394 HB THR 58 HB THR 58 5.388 12.867 1.237 395 HG1 THR 58 1HG THR 58 2.847 12.459 2.402 396 HG21 THR 58 1HG2 THR 58 6.344 12.146 3.459 397 HG22 THR 58 2HG2 THR 58 5.739 10.841 2.439 398 HG23 THR 58 3HG2 THR 58 4.779 11.409 3.805 399 H LYS 59 H LYS 59 2.968 15.829 3.598 400 HA LYS 59 HA LYS 59 1.485 17.262 2.630 401 HB2 LYS 59 1HB LYS 59 3.743 17.392 0.629 402 HB3 LYS 59 2HB LYS 59 2.352 18.467 0.592 403 HG2 LYS 59 1HG LYS 59 4.143 18.213 2.990 404 HG3 LYS 59 2HG LYS 59 4.437 19.367 1.687 405 HD2 LYS 59 1HD LYS 59 2.190 20.321 2.073 406 HD3 LYS 59 2HD LYS 59 1.977 19.211 3.429 407 HE2 LYS 59 1HE LYS 59 2.691 21.146 4.477 408 HE3 LYS 59 2HE LYS 59 4.192 20.240 4.295 409 HZ1 LYS 59 1HZ LYS 59 4.841 22.252 3.500 410 HZ2 LYS 59 2HZ LYS 59 3.306 22.666 2.922 411 HZ3 LYS 59 3HZ LYS 59 4.272 21.582 2.054 412 H GLY 60 H GLY 60 1.226 14.427 1.995 413 HA2 GLY 60 1HA GLY 60 -0.274 13.195 0.746 414 HA3 GLY 60 2HA GLY 60 -0.709 14.671 -0.103 415 H LYS 61 H LYS 61 2.629 13.909 -0.034 416 HA LYS 61 HA LYS 61 2.676 13.578 -2.887 417 HB2 LYS 61 1HB LYS 61 4.487 14.800 -1.981 418 HB3 LYS 61 2HB LYS 61 4.797 13.583 -0.749 419 HG2 LYS 61 1HG LYS 61 6.514 13.462 -2.411 420 HG3 LYS 61 2HG LYS 61 5.504 12.020 -2.535 421 HD2 LYS 61 1HD LYS 61 4.537 12.711 -4.521 422 HD3 LYS 61 2HD LYS 61 4.900 14.413 -4.225 423 HE2 LYS 61 1HE LYS 61 7.261 13.998 -4.623 424 HE3 LYS 61 2HE LYS 61 6.941 12.278 -4.845 425 HZ1 LYS 61 1HZ LYS 61 5.471 14.150 -6.538 426 HZ2 LYS 61 2HZ LYS 61 6.068 12.609 -6.896 427 HZ3 LYS 61 3HZ LYS 61 7.116 13.936 -6.869 428 H VAL 62 H VAL 62 3.887 11.537 -0.218 429 HA VAL 62 HA VAL 62 3.993 9.227 -1.947 430 HB VAL 62 HB VAL 62 4.418 9.353 1.041 431 HG11 VAL 62 1HG1 VAL 62 4.017 7.135 -0.363 432 HG12 VAL 62 2HG1 VAL 62 5.734 7.351 -0.710 433 HG13 VAL 62 3HG1 VAL 62 5.181 7.210 0.960 434 HG21 VAL 62 1HG2 VAL 62 6.085 10.753 0.326 435 HG22 VAL 62 2HG2 VAL 62 6.894 9.195 0.159 436 HG23 VAL 62 3HG2 VAL 62 6.203 9.986 -1.257 437 H LYS 63 H LYS 63 2.202 8.153 -2.439 438 HA LYS 63 HA LYS 63 -0.011 8.069 -0.526 439 HB2 LYS 63 1HB LYS 63 0.082 7.185 -3.416 440 HB3 LYS 63 2HB LYS 63 -1.354 7.247 -2.403 441 HG2 LYS 63 1HG LYS 63 -1.237 9.638 -2.279 442 HG3 LYS 63 2HG LYS 63 0.316 9.647 -3.118 443 HD2 LYS 63 1HD LYS 63 -1.254 10.211 -4.767 444 HD3 LYS 63 2HD LYS 63 -0.918 8.500 -5.041 445 HE2 LYS 63 1HE LYS 63 -3.264 8.744 -5.191 446 HE3 LYS 63 2HE LYS 63 -2.947 8.002 -3.623 447 HZ1 LYS 63 1HZ LYS 63 -3.512 10.878 -4.108 448 HZ2 LYS 63 2HZ LYS 63 -3.166 10.193 -2.601 449 HZ3 LYS 63 3HZ LYS 63 -4.578 9.756 -3.424 450 H LEU 64 H LEU 64 -0.967 6.129 0.142 451 HA LEU 64 HA LEU 64 0.750 3.756 -0.177 452 HB2 LEU 64 1HB LEU 64 -0.719 4.888 2.140 453 HB3 LEU 64 2HB LEU 64 -0.614 3.133 2.017 454 HG LEU 64 HG LEU 64 1.897 3.426 1.875 455 HD11 LEU 64 1HD1 LEU 64 2.905 5.444 2.431 456 HD12 LEU 64 2HD1 LEU 64 1.415 6.124 3.083 457 HD13 LEU 64 3HD1 LEU 64 1.605 5.927 1.341 458 HD21 LEU 64 1HD2 LEU 64 0.500 4.319 4.395 459 HD22 LEU 64 2HD2 LEU 64 2.139 3.676 4.292 460 HD23 LEU 64 3HD2 LEU 64 0.762 2.649 3.892 461 H ALA 65 H ALA 65 -0.102 2.108 -1.249 462 HA ALA 65 HA ALA 65 -3.037 1.848 -1.333 463 HB1 ALA 65 1HB ALA 65 -2.703 2.403 -3.508 464 HB2 ALA 65 2HB ALA 65 -1.042 1.808 -3.522 465 HB3 ALA 65 3HB ALA 65 -2.387 0.672 -3.632 466 H ALA 66 H ALA 66 -3.804 -0.365 -1.768 467 HA ALA 66 HA ALA 66 -1.929 -2.426 -0.817 468 HB1 ALA 66 1HB ALA 66 -4.772 -1.995 0.084 469 HB2 ALA 66 2HB ALA 66 -3.831 -3.447 0.431 470 HB3 ALA 66 3HB ALA 66 -3.307 -1.885 1.061 471 H VAL 67 H VAL 67 -2.326 -4.554 -1.554 472 HA VAL 67 HA VAL 67 -4.337 -4.871 -3.660 473 HB VAL 67 HB VAL 67 -1.407 -5.513 -4.018 474 HG11 VAL 67 1HG1 VAL 67 -2.269 -6.080 -6.386 475 HG12 VAL 67 2HG1 VAL 67 -2.484 -7.266 -5.098 476 HG13 VAL 67 3HG1 VAL 67 -3.838 -6.255 -5.601 477 HG21 VAL 67 1HG2 VAL 67 -1.274 -3.453 -4.846 478 HG22 VAL 67 2HG2 VAL 67 -2.366 -3.959 -6.136 479 HG23 VAL 67 3HG2 VAL 67 -3.013 -3.215 -4.674 480 H ASP 68 H ASP 68 -4.878 -7.058 -4.131 481 HA ASP 68 HA ASP 68 -4.221 -8.890 -1.926 482 HB2 ASP 68 1HB ASP 68 -6.665 -8.127 -2.572 483 HB3 ASP 68 2HB ASP 68 -6.502 -9.384 -3.796 484 H ALA 69 H ALA 69 -2.587 -10.181 -2.492 485 HA ALA 69 HA ALA 69 -1.751 -10.846 -5.044 486 HB1 ALA 69 1HB ALA 69 -0.136 -11.940 -3.968 487 HB2 ALA 69 2HB ALA 69 -0.919 -11.422 -2.475 488 HB3 ALA 69 3HB ALA 69 -1.287 -13.004 -3.159 489 H THR 70 H THR 70 -4.518 -11.916 -3.391 490 HA THR 70 HA THR 70 -4.769 -14.474 -4.667 491 HB THR 70 HB THR 70 -6.978 -14.579 -3.698 492 HG1 THR 70 1HG THR 70 -8.009 -12.723 -3.688 493 HG21 THR 70 1HG2 THR 70 -6.431 -14.052 -1.298 494 HG22 THR 70 2HG2 THR 70 -4.921 -13.344 -1.872 495 HG23 THR 70 3HG2 THR 70 -5.246 -15.058 -2.130 496 H VAL 71 H VAL 71 -5.715 -11.202 -5.391 497 HA VAL 71 HA VAL 71 -7.286 -12.130 -7.696 498 HB VAL 71 HB VAL 71 -7.151 -9.361 -6.496 499 HG11 VAL 71 1HG1 VAL 71 -8.531 -10.518 -8.861 500 HG12 VAL 71 2HG1 VAL 71 -9.373 -9.286 -7.920 501 HG13 VAL 71 3HG1 VAL 71 -7.805 -8.927 -8.642 502 HG21 VAL 71 1HG2 VAL 71 -9.368 -11.396 -6.315 503 HG22 VAL 71 2HG2 VAL 71 -8.213 -11.057 -5.026 504 HG23 VAL 71 3HG2 VAL 71 -9.327 -9.800 -5.565 505 H ASN 72 H ASN 72 -4.473 -10.280 -6.758 506 HA ASN 72 HA ASN 72 -3.968 -9.411 -9.488 507 HB2 ASN 72 1HB ASN 72 -2.819 -8.801 -6.810 508 HB3 ASN 72 2HB ASN 72 -1.763 -8.613 -8.206 509 HD21 ASN 72 1HD2 ASN 72 -5.005 -7.761 -7.065 510 HD22 ASN 72 2HD2 ASN 72 -5.037 -6.195 -7.794 511 H GLN 73 H GLN 73 -3.156 -10.874 -10.839 512 HA GLN 73 HA GLN 73 -1.162 -12.782 -9.821 513 HB2 GLN 73 1HB GLN 73 -2.907 -12.944 -12.284 514 HB3 GLN 73 2HB GLN 73 -1.720 -14.150 -11.804 515 HG2 GLN 73 1HG GLN 73 -3.828 -13.409 -9.851 516 HG3 GLN 73 2HG GLN 73 -4.281 -14.404 -11.234 517 HE21 GLN 73 1HE2 GLN 73 -3.588 -14.648 -8.143 518 HE22 GLN 73 2HE2 GLN 73 -2.775 -16.172 -8.093 519 H VAL 74 H VAL 74 -1.834 -10.413 -12.325 520 HA VAL 74 HA VAL 74 0.402 -10.832 -13.953 521 HB VAL 74 HB VAL 74 -1.002 -8.217 -13.390 522 HG11 VAL 74 1HG1 VAL 74 -0.008 -8.399 -16.038 523 HG12 VAL 74 2HG1 VAL 74 0.463 -7.273 -14.764 524 HG13 VAL 74 3HG1 VAL 74 1.307 -8.812 -14.939 525 HG21 VAL 74 1HG2 VAL 74 -1.520 -9.832 -15.828 526 HG22 VAL 74 2HG2 VAL 74 -2.249 -10.366 -14.313 527 HG23 VAL 74 3HG2 VAL 74 -2.592 -8.752 -14.937 528 H LEU 75 H LEU 75 -0.011 -8.829 -11.066 529 HA LEU 75 HA LEU 75 2.683 -7.815 -11.188 530 HB2 LEU 75 1HB LEU 75 0.786 -7.692 -8.856 531 HB3 LEU 75 2HB LEU 75 2.168 -6.646 -9.178 532 HG LEU 75 HG LEU 75 -0.280 -6.721 -10.931 533 HD11 LEU 75 1HD1 LEU 75 0.268 -4.601 -8.890 534 HD12 LEU 75 2HD1 LEU 75 -0.651 -6.046 -8.474 535 HD13 LEU 75 3HD1 LEU 75 -1.232 -4.968 -9.742 536 HD21 LEU 75 1HD2 LEU 75 0.573 -4.812 -11.945 537 HD22 LEU 75 2HD2 LEU 75 2.003 -5.818 -11.715 538 HD23 LEU 75 3HD2 LEU 75 1.680 -4.478 -10.614 539 H ALA 76 H ALA 76 0.906 -10.013 -9.021 540 HA ALA 76 HA ALA 76 3.018 -10.711 -7.351 541 HB1 ALA 76 1HB ALA 76 1.096 -11.522 -6.483 542 HB2 ALA 76 2HB ALA 76 0.414 -11.907 -8.064 543 HB3 ALA 76 3HB ALA 76 1.600 -12.986 -7.329 544 H SER 77 H SER 77 2.328 -11.679 -10.605 545 HA SER 77 HA SER 77 4.196 -13.910 -10.511 546 HB2 SER 77 1HB SER 77 2.082 -14.093 -11.808 547 HB3 SER 77 2HB SER 77 2.649 -12.801 -12.866 548 HG SER 77 HG SER 77 3.169 -15.397 -13.027 549 H ARG 78 H ARG 78 4.001 -10.623 -11.686 550 HA ARG 78 HA ARG 78 6.226 -10.643 -13.401 551 HB2 ARG 78 1HB ARG 78 4.551 -8.831 -13.342 552 HB3 ARG 78 2HB ARG 78 5.143 -8.348 -11.758 553 HG2 ARG 78 1HG ARG 78 7.229 -7.657 -12.651 554 HG3 ARG 78 2HG ARG 78 6.872 -8.393 -14.215 555 HD2 ARG 78 1HD ARG 78 4.801 -6.768 -14.125 556 HD3 ARG 78 2HD ARG 78 5.836 -5.873 -13.013 557 HE ARG 78 HE ARG 78 7.150 -5.255 -14.785 558 HH11 ARG 78 2HH1 ARG 78 5.072 -7.874 -15.755 559 HH12 ARG 78 1HH1 ARG 78 5.494 -7.761 -17.431 560 HH21 ARG 78 2HH2 ARG 78 7.715 -5.096 -16.989 561 HH22 ARG 78 1HH2 ARG 78 6.998 -6.181 -18.132 562 H TYR 79 H TYR 79 5.938 -10.015 -9.934 563 HA TYR 79 HA TYR 79 8.873 -9.910 -9.756 564 HB2 TYR 79 1HB TYR 79 6.863 -8.999 -7.690 565 HB3 TYR 79 2HB TYR 79 8.604 -8.737 -7.659 566 HD1 TYR 79 2HD TYR 79 5.487 -7.844 -9.449 567 HD2 TYR 79 1HD TYR 79 9.576 -6.888 -8.765 568 HE1 TYR 79 2HE TYR 79 5.180 -5.709 -10.631 569 HE2 TYR 79 1HE TYR 79 9.280 -4.751 -9.945 570 HH TYR 79 HH TYR 79 6.151 -3.859 -11.374 571 H GLY 80 H GLY 80 6.067 -11.704 -8.883 572 HA2 GLY 80 1HA GLY 80 6.082 -13.933 -8.149 573 HA3 GLY 80 2HA GLY 80 7.759 -13.739 -7.661 574 H ILE 81 H ILE 81 4.799 -11.951 -6.814 575 HA ILE 81 HA ILE 81 5.568 -11.800 -4.064 576 HB ILE 81 HB ILE 81 2.885 -11.167 -5.297 577 HG12 ILE 81 1HG1 ILE 81 4.791 -9.914 -6.312 578 HG13 ILE 81 2HG1 ILE 81 3.643 -8.880 -5.469 579 HG21 ILE 81 1HG2 ILE 81 3.644 -11.329 -2.623 580 HG22 ILE 81 2HG2 ILE 81 3.655 -9.606 -2.997 581 HG23 ILE 81 3HG2 ILE 81 2.197 -10.559 -3.272 582 HD11 ILE 81 1HD1 ILE 81 5.618 -9.623 -3.601 583 HD12 ILE 81 2HD1 ILE 81 6.445 -9.133 -5.080 584 HD13 ILE 81 3HD1 ILE 81 5.310 -8.033 -4.298 585 H ARG 82 H ARG 82 5.617 -13.674 -2.960 586 HA ARG 82 HA ARG 82 3.137 -15.262 -2.900 587 HB2 ARG 82 1HB ARG 82 5.972 -16.306 -2.753 588 HB3 ARG 82 2HB ARG 82 4.520 -17.278 -2.547 589 HG2 ARG 82 1HG ARG 82 3.978 -17.189 -4.780 590 HG3 ARG 82 2HG ARG 82 4.879 -15.695 -5.047 591 HD2 ARG 82 1HD ARG 82 6.358 -18.155 -4.244 592 HD3 ARG 82 2HD ARG 82 5.792 -18.006 -5.907 593 HE ARG 82 HE ARG 82 7.059 -15.654 -5.461 594 HH11 ARG 82 2HH1 ARG 82 7.975 -18.990 -5.072 595 HH12 ARG 82 1HH1 ARG 82 9.655 -18.700 -5.379 596 HH21 ARG 82 2HH2 ARG 82 9.268 -15.260 -5.867 597 HH22 ARG 82 1HH2 ARG 82 10.390 -16.578 -5.831 598 H GLY 83 H GLY 83 5.786 -13.823 -1.175 599 HA2 GLY 83 1HA GLY 83 4.804 -14.917 1.369 600 HA3 GLY 83 2HA GLY 83 6.351 -14.120 1.125 601 H PHE 84 H PHE 84 3.032 -13.723 1.920 602 HA PHE 84 HA PHE 84 3.282 -10.803 1.926 603 HB2 PHE 84 1HB PHE 84 0.748 -12.160 2.714 604 HB3 PHE 84 2HB PHE 84 0.989 -10.668 1.812 605 HD1 PHE 84 2HD PHE 84 2.948 -11.858 -0.220 606 HD2 PHE 84 1HD PHE 84 -0.832 -13.150 1.249 607 HE1 PHE 84 2HE PHE 84 2.547 -13.067 -2.325 608 HE2 PHE 84 1HE PHE 84 -1.239 -14.362 -0.854 609 HZ PHE 84 HZ PHE 84 0.451 -14.320 -2.645 610 HA PRO 85 HA PRO 85 1.789 -9.234 2.925 611 HB2 PRO 85 1HB PRO 85 2.817 -7.111 4.268 612 HB3 PRO 85 2HB PRO 85 1.315 -7.912 4.743 613 HG2 PRO 85 1HG PRO 85 4.072 -8.238 5.864 614 HG3 PRO 85 2HG PRO 85 2.524 -8.113 6.720 615 HD2 PRO 85 1HD PRO 85 3.764 -10.481 6.292 616 HD3 PRO 85 2HD PRO 85 1.997 -10.326 6.350 617 H THR 86 H THR 86 2.810 -7.614 1.566 618 HA THR 86 HA THR 86 5.733 -7.794 1.390 619 HB THR 86 HB THR 86 3.866 -8.192 -0.957 620 HG1 THR 86 1HG THR 86 5.828 -9.999 0.011 621 HG21 THR 86 1HG2 THR 86 6.623 -8.769 -1.497 622 HG22 THR 86 2HG2 THR 86 6.470 -7.119 -0.893 623 HG23 THR 86 3HG2 THR 86 5.547 -7.630 -2.306 624 H ILE 87 H ILE 87 6.278 -5.736 1.793 625 HA ILE 87 HA ILE 87 4.732 -3.571 0.574 626 HB ILE 87 HB ILE 87 6.951 -3.410 2.616 627 HG12 ILE 87 1HG1 ILE 87 4.042 -2.898 3.158 628 HG13 ILE 87 2HG1 ILE 87 4.683 -4.535 3.226 629 HG21 ILE 87 1HG2 ILE 87 5.568 -1.113 2.868 630 HG22 ILE 87 2HG2 ILE 87 6.995 -1.291 1.849 631 HG23 ILE 87 3HG2 ILE 87 5.385 -1.401 1.138 632 HD11 ILE 87 1HD1 ILE 87 4.976 -3.994 5.390 633 HD12 ILE 87 2HD1 ILE 87 6.475 -3.298 4.776 634 HD13 ILE 87 3HD1 ILE 87 5.075 -2.265 5.060 635 H LYS 88 H LYS 88 5.373 -2.856 -1.340 636 HA LYS 88 HA LYS 88 8.262 -2.676 -1.880 637 HB2 LYS 88 1HB LYS 88 6.121 -3.423 -3.881 638 HB3 LYS 88 2HB LYS 88 7.838 -3.250 -4.221 639 HG2 LYS 88 1HG LYS 88 7.023 -5.170 -2.109 640 HG3 LYS 88 2HG LYS 88 6.730 -5.605 -3.795 641 HD2 LYS 88 1HD LYS 88 9.232 -4.814 -4.073 642 HD3 LYS 88 2HD LYS 88 9.304 -5.196 -2.351 643 HE2 LYS 88 1HE LYS 88 8.201 -7.430 -3.050 644 HE3 LYS 88 2HE LYS 88 8.748 -7.007 -4.672 645 HZ1 LYS 88 1HZ LYS 88 10.995 -6.964 -3.929 646 HZ2 LYS 88 2HZ LYS 88 10.317 -8.420 -3.399 647 HZ3 LYS 88 3HZ LYS 88 10.539 -7.145 -2.310 648 H ILE 89 H ILE 89 8.969 -0.773 -2.665 649 HA ILE 89 HA ILE 89 6.954 1.313 -3.126 650 HB ILE 89 HB ILE 89 9.893 1.584 -2.485 651 HG12 ILE 89 1HG1 ILE 89 8.803 2.692 -0.389 652 HG13 ILE 89 2HG1 ILE 89 7.380 1.766 -0.853 653 HG21 ILE 89 1HG2 ILE 89 8.629 3.366 -3.935 654 HG22 ILE 89 2HG2 ILE 89 7.964 3.851 -2.376 655 HG23 ILE 89 3HG2 ILE 89 9.709 3.866 -2.634 656 HD11 ILE 89 1HD1 ILE 89 9.974 0.342 -0.641 657 HD12 ILE 89 2HD1 ILE 89 9.147 0.820 0.842 658 HD13 ILE 89 3HD1 ILE 89 8.336 -0.229 -0.321 659 H PHE 90 H PHE 90 6.782 2.345 -5.033 660 HA PHE 90 HA PHE 90 8.769 1.709 -7.114 661 HB2 PHE 90 1HB PHE 90 5.772 1.991 -7.414 662 HB3 PHE 90 2HB PHE 90 6.899 1.832 -8.758 663 HD1 PHE 90 1HD PHE 90 5.418 0.113 -5.863 664 HD2 PHE 90 2HD PHE 90 7.822 -0.276 -9.354 665 HE1 PHE 90 1HE PHE 90 5.267 -2.337 -5.690 666 HE2 PHE 90 2HE PHE 90 7.674 -2.726 -9.187 667 HZ PHE 90 HZ PHE 90 6.395 -3.760 -7.353 668 H GLN 91 H GLN 91 9.791 3.427 -7.882 669 HA GLN 91 HA GLN 91 8.569 6.074 -7.511 670 HB2 GLN 91 1HB GLN 91 11.390 5.097 -7.580 671 HB3 GLN 91 2HB GLN 91 11.058 6.748 -8.085 672 HG2 GLN 91 1HG GLN 91 10.346 7.389 -5.981 673 HG3 GLN 91 2HG GLN 91 10.011 5.733 -5.480 674 HE21 GLN 91 1HE2 GLN 91 11.234 6.307 -3.575 675 HE22 GLN 91 2HE2 GLN 91 12.959 6.218 -3.612 676 H LYS 92 H LYS 92 8.828 7.664 -9.199 677 HA LYS 92 HA LYS 92 8.226 6.606 -11.776 678 HB2 LYS 92 1HB LYS 92 7.245 8.705 -10.927 679 HB3 LYS 92 2HB LYS 92 8.836 9.453 -10.958 680 HG2 LYS 92 1HG LYS 92 8.028 10.217 -12.936 681 HG3 LYS 92 2HG LYS 92 8.744 8.702 -13.491 682 HD2 LYS 92 1HD LYS 92 6.310 7.809 -12.830 683 HD3 LYS 92 2HD LYS 92 5.898 9.480 -13.221 684 HE2 LYS 92 1HE LYS 92 7.416 8.954 -15.334 685 HE3 LYS 92 2HE LYS 92 6.911 7.304 -14.971 686 HZ1 LYS 92 1HZ LYS 92 4.807 9.307 -14.988 687 HZ2 LYS 92 2HZ LYS 92 4.798 7.723 -15.579 688 HZ3 LYS 92 3HZ LYS 92 5.503 8.962 -16.490 689 H GLY 93 H GLY 93 9.651 5.879 -13.205 690 HA2 GLY 93 1HA GLY 93 11.487 5.929 -14.623 691 HA3 GLY 93 2HA GLY 93 12.032 7.391 -13.815 692 H GLU 94 H GLU 94 12.086 6.372 -11.167 693 HA GLU 94 HA GLU 94 14.634 5.058 -11.245 694 HB2 GLU 94 1HB GLU 94 12.871 5.647 -8.862 695 HB3 GLU 94 2HB GLU 94 14.577 5.224 -8.817 696 HG2 GLU 94 1HG GLU 94 13.753 7.605 -10.390 697 HG3 GLU 94 2HG GLU 94 13.767 7.717 -8.631 698 H SER 95 H SER 95 15.138 3.057 -10.157 699 HA SER 95 HA SER 95 13.284 0.983 -10.826 700 HB2 SER 95 1HB SER 95 15.927 0.987 -10.792 701 HB3 SER 95 2HB SER 95 15.689 0.458 -9.126 702 HG SER 95 HG SER 95 15.212 -1.439 -9.866 703 HA PRO 96 HA PRO 96 11.116 0.645 -7.011 704 HB2 PRO 96 1HB PRO 96 10.313 -1.941 -7.201 705 HB3 PRO 96 2HB PRO 96 9.599 -0.640 -8.162 706 HG2 PRO 96 1HG PRO 96 11.686 -2.642 -8.937 707 HG3 PRO 96 2HG PRO 96 10.284 -2.071 -9.862 708 HD2 PRO 96 1HD PRO 96 12.792 -1.145 -10.296 709 HD3 PRO 96 2HD PRO 96 11.349 -0.135 -10.520 710 H VAL 97 H VAL 97 11.270 -0.257 -4.935 711 HA VAL 97 HA VAL 97 13.662 -1.919 -4.470 712 HB VAL 97 HB VAL 97 13.517 -0.758 -2.113 713 HG11 VAL 97 1HG1 VAL 97 15.086 0.978 -2.918 714 HG12 VAL 97 2HG1 VAL 97 15.448 -0.629 -3.553 715 HG13 VAL 97 3HG1 VAL 97 14.648 0.565 -4.576 716 HG21 VAL 97 1HG2 VAL 97 12.695 1.645 -3.616 717 HG22 VAL 97 2HG2 VAL 97 11.411 0.507 -3.206 718 HG23 VAL 97 3HG2 VAL 97 12.410 1.206 -1.932 719 H ASP 98 H ASP 98 13.525 -2.872 -2.123 720 HA ASP 98 HA ASP 98 10.818 -3.982 -1.761 721 HB2 ASP 98 1HB ASP 98 11.976 -5.837 -2.519 722 HB3 ASP 98 2HB ASP 98 13.494 -5.316 -1.794 723 H TYR 99 H TYR 99 9.996 -3.067 0.007 724 HA TYR 99 HA TYR 99 11.616 -2.120 2.165 725 HB2 TYR 99 1HB TYR 99 9.495 -1.030 1.522 726 HB3 TYR 99 2HB TYR 99 8.614 -2.469 2.023 727 HD1 TYR 99 2HD TYR 99 8.567 -3.102 4.436 728 HD2 TYR 99 1HD TYR 99 10.215 0.589 3.108 729 HE1 TYR 99 2HE TYR 99 8.414 -2.217 6.725 730 HE2 TYR 99 1HE TYR 99 10.068 1.484 5.394 731 HH TYR 99 HH TYR 99 8.630 -0.414 8.021 732 H ASP 100 H ASP 100 12.526 -3.412 3.609 733 HA ASP 100 HA ASP 100 11.018 -5.770 4.534 734 HB2 ASP 100 1HB ASP 100 13.058 -6.304 3.166 735 HB3 ASP 100 2HB ASP 100 14.029 -5.531 4.416 736 H GLY 101 H GLY 101 10.672 -3.291 5.730 737 HA2 GLY 101 1HA GLY 101 12.339 -3.337 8.144 738 HA3 GLY 101 2HA GLY 101 11.269 -2.031 7.654 739 H GLY 102 H GLY 102 10.357 -1.991 9.757 740 HA2 GLY 102 1HA GLY 102 9.137 -4.284 10.927 741 HA3 GLY 102 2HA GLY 102 8.895 -2.615 11.421 742 H ARG 103 H ARG 103 6.768 -4.244 11.552 743 HA ARG 103 HA ARG 103 5.171 -3.575 9.168 744 HB2 ARG 103 1HB ARG 103 5.504 -6.035 9.831 745 HB3 ARG 103 2HB ARG 103 4.445 -5.683 11.191 746 HG2 ARG 103 1HG ARG 103 2.648 -5.093 9.699 747 HG3 ARG 103 2HG ARG 103 3.706 -5.289 8.299 748 HD2 ARG 103 1HD ARG 103 2.310 -7.245 8.540 749 HD3 ARG 103 2HD ARG 103 3.987 -7.669 8.883 750 HE ARG 103 HE ARG 103 2.472 -6.991 11.227 751 HH11 ARG 103 2HH1 ARG 103 3.318 -9.537 9.008 752 HH12 ARG 103 1HH1 ARG 103 3.008 -10.808 10.144 753 HH21 ARG 103 2HH2 ARG 103 2.062 -8.655 12.732 754 HH22 ARG 103 1HH2 ARG 103 2.293 -10.305 12.262 755 H THR 104 H THR 104 5.487 -1.531 10.869 756 HA THR 104 HA THR 104 2.835 -1.312 12.103 757 HB THR 104 HB THR 104 3.810 -0.057 14.015 758 HG1 THR 104 1HG THR 104 6.198 -0.682 14.260 759 HG21 THR 104 1HG2 THR 104 4.721 -2.910 13.639 760 HG22 THR 104 2HG2 THR 104 3.220 -2.355 14.381 761 HG23 THR 104 3HG2 THR 104 4.763 -2.054 15.179 762 H ARG 105 H ARG 105 1.814 0.540 11.633 763 HA ARG 105 HA ARG 105 2.392 2.234 9.650 764 HB2 ARG 105 1HB ARG 105 0.823 3.746 10.502 765 HB3 ARG 105 2HB ARG 105 0.353 2.210 11.218 766 HG2 ARG 105 1HG ARG 105 1.856 2.989 13.198 767 HG3 ARG 105 2HG ARG 105 1.608 4.590 12.498 768 HD2 ARG 105 1HD ARG 105 -0.805 4.298 12.649 769 HD3 ARG 105 2HD ARG 105 -0.579 2.675 13.300 770 HE ARG 105 HE ARG 105 0.737 4.692 14.849 771 HH11 ARG 105 2HH1 ARG 105 -2.301 3.094 14.269 772 HH12 ARG 105 1HH1 ARG 105 -2.924 3.420 15.852 773 HH21 ARG 105 2HH2 ARG 105 -0.072 5.128 16.937 774 HH22 ARG 105 1HH2 ARG 105 -1.656 4.578 17.369 775 H SER 106 H SER 106 3.795 2.361 12.854 776 HA SER 106 HA SER 106 4.940 4.897 12.802 777 HB2 SER 106 1HB SER 106 5.794 2.329 14.132 778 HB3 SER 106 2HB SER 106 6.694 3.831 14.343 779 HG SER 106 HG SER 106 4.987 4.726 15.367 780 H ASP 107 H ASP 107 6.534 1.812 11.980 781 HA ASP 107 HA ASP 107 8.859 3.008 10.923 782 HB2 ASP 107 1HB ASP 107 7.637 0.272 10.698 783 HB3 ASP 107 2HB ASP 107 9.069 0.692 9.762 784 H ILE 108 H ILE 108 6.111 1.479 9.237 785 HA ILE 108 HA ILE 108 6.777 1.908 6.639 786 HB ILE 108 HB ILE 108 4.034 2.310 7.837 787 HG12 ILE 108 1HG1 ILE 108 4.958 -0.155 6.406 788 HG13 ILE 108 2HG1 ILE 108 5.381 0.074 8.099 789 HG21 ILE 108 1HG2 ILE 108 3.339 2.862 5.805 790 HG22 ILE 108 2HG2 ILE 108 4.976 2.697 5.174 791 HG23 ILE 108 3HG2 ILE 108 3.899 1.301 5.205 792 HD11 ILE 108 1HD1 ILE 108 3.227 -0.171 8.809 793 HD12 ILE 108 2HD1 ILE 108 2.542 0.393 7.284 794 HD13 ILE 108 3HD1 ILE 108 3.223 -1.230 7.399 795 H VAL 109 H VAL 109 5.358 4.284 8.849 796 HA VAL 109 HA VAL 109 5.167 6.355 6.897 797 HB VAL 109 HB VAL 109 5.172 6.528 9.914 798 HG11 VAL 109 1HG1 VAL 109 4.509 8.751 9.765 799 HG12 VAL 109 2HG1 VAL 109 5.762 8.625 8.528 800 HG13 VAL 109 3HG1 VAL 109 4.060 8.606 8.066 801 HG21 VAL 109 1HG2 VAL 109 2.711 6.947 8.340 802 HG22 VAL 109 2HG2 VAL 109 3.321 5.294 8.407 803 HG23 VAL 109 3HG2 VAL 109 2.941 6.155 9.898 804 H SER 110 H SER 110 7.473 5.638 9.503 805 HA SER 110 HA SER 110 9.111 7.837 9.348 806 HB2 SER 110 1HB SER 110 9.346 5.986 10.997 807 HB3 SER 110 2HB SER 110 10.052 4.984 9.729 808 HG SER 110 HG SER 110 11.772 6.409 9.597 809 H ARG 111 H ARG 111 9.269 4.891 7.373 810 HA ARG 111 HA ARG 111 11.527 5.676 5.862 811 HB2 ARG 111 1HB ARG 111 10.318 3.345 6.136 812 HB3 ARG 111 2HB ARG 111 9.442 3.875 4.706 813 HG2 ARG 111 1HG ARG 111 12.439 3.682 4.918 814 HG3 ARG 111 2HG ARG 111 11.390 2.472 4.177 815 HD2 ARG 111 1HD ARG 111 10.607 4.173 2.574 816 HD3 ARG 111 2HD ARG 111 11.718 5.337 3.294 817 HE ARG 111 HE ARG 111 13.457 4.327 2.185 818 HH11 ARG 111 2HH1 ARG 111 10.629 2.304 2.012 819 HH12 ARG 111 1HH1 ARG 111 11.318 1.217 0.852 820 HH21 ARG 111 2HH2 ARG 111 14.375 2.903 0.658 821 HH22 ARG 111 1HH2 ARG 111 13.449 1.558 0.083 822 H ALA 112 H ALA 112 8.068 5.630 4.987 823 HA ALA 112 HA ALA 112 8.071 6.680 2.507 824 HB1 ALA 112 1HB ALA 112 6.221 7.524 4.735 825 HB2 ALA 112 2HB ALA 112 5.916 7.735 3.010 826 HB3 ALA 112 3HB ALA 112 6.026 6.113 3.694 827 H LEU 113 H LEU 113 8.727 8.445 5.475 828 HA LEU 113 HA LEU 113 8.660 11.048 4.392 829 HB2 LEU 113 1HB LEU 113 9.901 9.809 6.811 830 HB3 LEU 113 2HB LEU 113 10.291 11.474 6.382 831 HG LEU 113 HG LEU 113 7.488 10.475 6.870 832 HD11 LEU 113 1HD1 LEU 113 9.448 11.796 8.734 833 HD12 LEU 113 2HD1 LEU 113 8.649 10.237 8.932 834 HD13 LEU 113 3HD1 LEU 113 7.710 11.727 9.027 835 HD21 LEU 113 1HD2 LEU 113 7.730 13.218 7.346 836 HD22 LEU 113 2HD2 LEU 113 6.917 12.433 5.992 837 HD23 LEU 113 3HD2 LEU 113 8.606 12.920 5.844 838 H ASP 114 H ASP 114 11.332 8.763 4.883 839 HA ASP 114 HA ASP 114 13.444 10.348 4.051 840 HB2 ASP 114 1HB ASP 114 13.366 7.885 4.957 841 HB3 ASP 114 2HB ASP 114 13.347 7.464 3.247 842 H LEU 115 H LEU 115 11.270 8.345 2.090 843 HA LEU 115 HA LEU 115 12.549 9.003 -0.380 844 HB2 LEU 115 1HB LEU 115 9.734 8.004 -0.089 845 HB3 LEU 115 2HB LEU 115 10.851 7.760 -1.431 846 HG LEU 115 HG LEU 115 11.356 6.579 1.286 847 HD11 LEU 115 1HD1 LEU 115 10.257 4.576 0.642 848 HD12 LEU 115 2HD1 LEU 115 9.954 5.187 -0.984 849 HD13 LEU 115 3HD1 LEU 115 9.112 5.895 0.394 850 HD21 LEU 115 1HD2 LEU 115 13.023 5.407 0.293 851 HD22 LEU 115 2HD2 LEU 115 13.020 6.801 -0.787 852 HD23 LEU 115 3HD2 LEU 115 12.189 5.317 -1.259 853 H PHE 116 H PHE 116 9.716 10.184 1.362 854 HA PHE 116 HA PHE 116 8.437 11.738 -0.448 855 HB2 PHE 116 1HB PHE 116 7.527 11.779 1.701 856 HB3 PHE 116 2HB PHE 116 9.063 12.206 2.448 857 HD1 PHE 116 2HD PHE 116 6.777 13.646 -0.132 858 HD2 PHE 116 1HD PHE 116 9.171 14.313 3.324 859 HE1 PHE 116 2HE PHE 116 6.114 16.015 -0.134 860 HE2 PHE 116 1HE PHE 116 8.511 16.683 3.327 861 HZ PHE 116 HZ PHE 116 6.982 17.537 1.596 862 H SER 117 H SER 117 10.972 13.127 1.641 863 HA SER 117 HA SER 117 11.319 15.514 0.344 864 HB2 SER 117 1HB SER 117 12.448 14.633 2.491 865 HB3 SER 117 2HB SER 117 13.686 13.987 1.414 866 HG SER 117 HG SER 117 14.501 15.914 1.471 867 H ASP 118 H ASP 118 13.248 12.572 -0.246 868 HA ASP 118 HA ASP 118 14.846 13.397 -2.286 869 HB2 ASP 118 1HB ASP 118 13.490 10.766 -1.780 870 HB3 ASP 118 2HB ASP 118 14.502 10.987 -3.205 871 H ASN 119 H ASN 119 11.469 12.364 -2.558 872 HA ASN 119 HA ASN 119 11.446 12.914 -5.409 873 HB2 ASN 119 1HB ASN 119 9.374 11.866 -3.483 874 HB3 ASN 119 2HB ASN 119 8.990 12.259 -5.157 875 HD21 ASN 119 1HD2 ASN 119 11.353 10.422 -3.256 876 HD22 ASN 119 2HD2 ASN 119 11.441 9.083 -4.344 877 H ALA 120 H ALA 120 9.089 13.833 -2.913 878 HA ALA 120 HA ALA 120 8.144 16.098 -4.220 879 HB1 ALA 120 1HB ALA 120 6.724 15.490 -2.552 880 HB2 ALA 120 2HB ALA 120 8.029 15.089 -1.434 881 HB3 ALA 120 3HB ALA 120 7.593 16.775 -1.712 882 HA PRO 121 HA PRO 121 11.163 19.240 -3.678 883 HB2 PRO 121 1HB PRO 121 9.594 21.439 -3.415 884 HB3 PRO 121 2HB PRO 121 9.811 20.592 -4.951 885 HG2 PRO 121 1HG PRO 121 7.558 20.408 -2.989 886 HG3 PRO 121 2HG PRO 121 7.495 20.496 -4.759 887 HD2 PRO 121 1HD PRO 121 7.217 18.168 -3.404 888 HD3 PRO 121 2HD PRO 121 7.966 18.253 -5.011 889 HA PRO 122 HA PRO 122 11.280 19.337 0.840 890 HB2 PRO 122 1HB PRO 122 13.946 19.829 0.980 891 HB3 PRO 122 2HB PRO 122 13.280 18.215 0.706 892 HG2 PRO 122 1HG PRO 122 14.391 20.167 -1.274 893 HG3 PRO 122 2HG PRO 122 14.643 18.415 -1.168 894 HD2 PRO 122 1HD PRO 122 12.905 19.533 -2.917 895 HD3 PRO 122 2HD PRO 122 12.633 17.937 -2.189 896 HA PRO 123 HA PRO 123 11.156 23.663 1.639 897 HB2 PRO 123 1HB PRO 123 12.036 23.747 4.205 898 HB3 PRO 123 2HB PRO 123 10.442 23.130 3.756 899 HG2 PRO 123 1HG PRO 123 12.954 21.621 4.366 900 HG3 PRO 123 2HG PRO 123 11.291 21.279 4.879 901 HD2 PRO 123 1HD PRO 123 12.481 19.971 2.828 902 HD3 PRO 123 2HD PRO 123 10.737 20.303 2.866 903 H GLU 124 H GLU 124 12.507 25.516 2.451 904 HA GLU 124 HA GLU 124 15.028 25.500 1.150 905 HB2 GLU 124 1HB GLU 124 13.348 27.463 1.688 906 HB3 GLU 124 2HB GLU 124 14.319 27.607 3.146 907 HG2 GLU 124 1HG GLU 124 15.171 27.959 0.295 908 HG3 GLU 124 2HG GLU 124 15.245 29.121 1.619 909 H LEU 125 H LEU 125 16.362 23.965 2.076 910 HA LEU 125 HA LEU 125 17.447 24.701 4.700 911 HB2 LEU 125 1HB LEU 125 16.314 22.088 3.859 912 HB3 LEU 125 2HB LEU 125 17.748 22.071 4.883 913 HG LEU 125 HG LEU 125 16.383 23.604 6.445 914 HD11 LEU 125 1HD1 LEU 125 13.873 22.570 5.997 915 HD12 LEU 125 2HD1 LEU 125 14.437 22.980 4.377 916 HD13 LEU 125 3HD1 LEU 125 14.399 24.214 5.636 917 HD21 LEU 125 1HD2 LEU 125 16.218 21.771 7.695 918 HD22 LEU 125 2HD2 LEU 125 16.760 20.857 6.288 919 HD23 LEU 125 3HD2 LEU 125 15.035 21.050 6.604 920 H LEU 126 H LEU 126 19.586 23.612 5.103 921 HA LEU 126 HA LEU 126 21.244 23.958 2.769 922 HB2 LEU 126 1HB LEU 126 21.738 23.493 5.678 923 HB3 LEU 126 2HB LEU 126 23.045 23.258 4.520 924 HG LEU 126 HG LEU 126 23.144 25.463 5.570 925 HD11 LEU 126 1HD1 LEU 126 22.572 26.625 3.113 926 HD12 LEU 126 2HD1 LEU 126 22.996 24.957 2.731 927 HD13 LEU 126 3HD1 LEU 126 24.120 25.966 3.641 928 HD21 LEU 126 1HD2 LEU 126 20.621 26.219 4.146 929 HD22 LEU 126 2HD2 LEU 126 21.450 27.047 5.464 930 HD23 LEU 126 3HD2 LEU 126 20.570 25.550 5.777 931 H GLU 127 H GLU 127 20.542 22.193 1.474 932 HA GLU 127 HA GLU 127 22.071 19.805 1.911 933 HB2 GLU 127 1HB GLU 127 20.094 19.317 3.291 934 HB3 GLU 127 2HB GLU 127 19.054 19.607 1.904 935 HG2 GLU 127 1HG GLU 127 19.274 17.263 2.149 936 HG3 GLU 127 2HG GLU 127 20.219 17.733 0.738 937 H SER 128 H SER 128 22.318 18.571 0.044 938 HA SER 128 HA SER 128 22.021 19.953 -2.398 939 HB2 SER 128 1HB SER 128 23.827 18.369 -2.117 940 HB3 SER 128 2HB SER 128 22.687 17.054 -1.834 941 HG SER 128 HG SER 128 22.593 16.797 -3.906 942 H GLY 129 H GLY 129 20.845 19.233 -4.304 943 HA2 GLY 129 1HA GLY 129 18.157 18.321 -3.565 944 HA3 GLY 129 2HA GLY 129 18.589 19.171 -5.041 945 HA PRO 130 HA PRO 130 17.983 14.761 -6.202 946 HB2 PRO 130 1HB PRO 130 16.781 15.326 -8.569 947 HB3 PRO 130 2HB PRO 130 15.900 15.249 -7.039 948 HG2 PRO 130 1HG PRO 130 16.913 17.644 -8.522 949 HG3 PRO 130 2HG PRO 130 15.354 17.407 -7.713 950 HD2 PRO 130 1HD PRO 130 17.384 18.797 -6.584 951 HD3 PRO 130 2HD PRO 130 16.226 17.852 -5.626 952 H SER 131 H SER 131 19.891 17.292 -7.181 953 HA SER 131 HA SER 131 20.854 16.911 -9.657 954 HB2 SER 131 1HB SER 131 21.766 18.427 -7.789 955 HB3 SER 131 2HB SER 131 22.794 17.061 -7.355 956 HG SER 131 HG SER 131 23.718 18.619 -8.869 957 H SER 132 H SER 132 22.001 15.020 -6.859 958 HA SER 132 HA SER 132 22.907 12.940 -6.695 959 HB2 SER 132 1HB SER 132 20.745 12.485 -8.084 960 HB3 SER 132 2HB SER 132 21.864 12.254 -9.428 961 HG SER 132 HG SER 132 22.971 10.780 -7.823 962 H GLY 133 H GLY 133 24.708 14.773 -7.401 963 HA2 GLY 133 1HA GLY 133 26.076 14.281 -9.838 964 HA3 GLY 133 2HA GLY 133 26.727 15.126 -8.442 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -13.375 13.484 -4.707 2 HA2 GLY 1 1HA GLY 1 -11.798 12.148 -5.749 3 HA3 GLY 1 2HA GLY 1 -10.855 12.167 -4.266 4 H SER 2 H SER 2 -10.415 9.950 -4.421 5 HA SER 2 HA SER 2 -12.283 7.920 -4.797 6 HB2 SER 2 1HB SER 2 -9.590 8.055 -3.494 7 HB3 SER 2 2HB SER 2 -10.549 6.584 -3.330 8 HG SER 2 HG SER 2 -9.385 7.715 -5.605 9 H SER 3 H SER 3 -13.706 6.879 -3.517 10 HA SER 3 HA SER 3 -14.329 8.077 -0.957 11 HB2 SER 3 1HB SER 3 -16.293 6.552 -1.005 12 HB3 SER 3 2HB SER 3 -16.170 7.547 -2.456 13 HG SER 3 HG SER 3 -15.409 4.828 -2.172 14 H GLY 4 H GLY 4 -13.220 7.453 0.777 15 HA2 GLY 4 1HA GLY 4 -12.220 4.705 0.941 16 HA3 GLY 4 2HA GLY 4 -11.732 6.047 1.965 17 H SER 5 H SER 5 -12.422 3.490 2.926 18 HA SER 5 HA SER 5 -14.918 4.099 4.373 19 HB2 SER 5 1HB SER 5 -13.921 1.555 3.172 20 HB3 SER 5 2HB SER 5 -14.849 1.459 4.669 21 HG SER 5 HG SER 5 -16.126 1.351 2.717 22 H SER 6 H SER 6 -11.877 2.258 4.606 23 HA SER 6 HA SER 6 -11.996 2.407 7.515 24 HB2 SER 6 1HB SER 6 -10.219 0.928 5.581 25 HB3 SER 6 2HB SER 6 -9.844 1.020 7.302 26 HG SER 6 HG SER 6 -11.681 -0.094 7.766 27 H GLY 7 H GLY 7 -9.913 3.453 4.843 28 HA2 GLY 7 1HA GLY 7 -9.071 5.766 6.324 29 HA3 GLY 7 2HA GLY 7 -7.796 4.566 6.166 30 H ASP 8 H ASP 8 -6.475 5.802 4.867 31 HA ASP 8 HA ASP 8 -7.543 6.819 2.349 32 HB2 ASP 8 1HB ASP 8 -5.946 8.130 3.865 33 HB3 ASP 8 2HB ASP 8 -4.689 7.038 3.291 34 H VAL 9 H VAL 9 -6.730 3.900 3.272 35 HA VAL 9 HA VAL 9 -4.699 3.023 1.544 36 HB VAL 9 HB VAL 9 -7.009 1.256 2.272 37 HG11 VAL 9 1HG1 VAL 9 -5.402 0.117 1.015 38 HG12 VAL 9 2HG1 VAL 9 -4.060 0.910 1.842 39 HG13 VAL 9 3HG1 VAL 9 -5.021 -0.307 2.683 40 HG21 VAL 9 1HG2 VAL 9 -5.161 1.064 4.353 41 HG22 VAL 9 2HG2 VAL 9 -5.415 2.794 4.120 42 HG23 VAL 9 3HG2 VAL 9 -6.790 1.735 4.435 43 H ILE 10 H ILE 10 -4.682 3.142 -0.596 44 HA ILE 10 HA ILE 10 -7.189 3.158 -2.083 45 HB ILE 10 HB ILE 10 -4.358 3.590 -3.044 46 HG12 ILE 10 1HG1 ILE 10 -6.538 5.654 -2.772 47 HG13 ILE 10 2HG1 ILE 10 -5.417 5.306 -1.460 48 HG21 ILE 10 1HG2 ILE 10 -5.653 4.609 -5.025 49 HG22 ILE 10 2HG2 ILE 10 -5.511 2.854 -4.924 50 HG23 ILE 10 3HG2 ILE 10 -7.009 3.647 -4.436 51 HD11 ILE 10 1HD1 ILE 10 -3.758 6.443 -2.426 52 HD12 ILE 10 2HD1 ILE 10 -4.129 5.818 -4.033 53 HD13 ILE 10 3HD1 ILE 10 -5.041 7.181 -3.384 54 H GLU 11 H GLU 11 -7.601 1.760 -3.845 55 HA GLU 11 HA GLU 11 -6.142 -0.795 -3.689 56 HB2 GLU 11 1HB GLU 11 -8.454 -0.992 -2.936 57 HB3 GLU 11 2HB GLU 11 -9.024 -0.277 -4.437 58 HG2 GLU 11 1HG GLU 11 -8.625 -2.170 -5.657 59 HG3 GLU 11 2HG GLU 11 -7.359 -2.736 -4.570 60 H LEU 12 H LEU 12 -5.151 -1.516 -5.462 61 HA LEU 12 HA LEU 12 -5.738 -0.168 -8.016 62 HB2 LEU 12 1HB LEU 12 -3.144 -1.489 -7.258 63 HB3 LEU 12 2HB LEU 12 -3.461 -0.456 -8.650 64 HG LEU 12 HG LEU 12 -3.635 0.573 -5.831 65 HD11 LEU 12 1HD1 LEU 12 -1.266 1.515 -6.860 66 HD12 LEU 12 2HD1 LEU 12 -1.268 -0.181 -7.344 67 HD13 LEU 12 3HD1 LEU 12 -1.438 0.250 -5.642 68 HD21 LEU 12 1HD2 LEU 12 -2.763 2.320 -7.998 69 HD22 LEU 12 2HD2 LEU 12 -4.000 2.570 -6.766 70 HD23 LEU 12 3HD2 LEU 12 -4.384 1.665 -8.231 71 H THR 13 H THR 13 -5.079 -1.539 -9.953 72 HA THR 13 HA THR 13 -5.769 -4.365 -9.484 73 HB THR 13 HB THR 13 -6.603 -2.957 -12.000 74 HG1 THR 13 1HG THR 13 -8.402 -2.209 -11.046 75 HG21 THR 13 1HG2 THR 13 -7.098 -5.539 -10.670 76 HG22 THR 13 2HG2 THR 13 -7.095 -5.128 -12.385 77 HG23 THR 13 3HG2 THR 13 -8.514 -4.781 -11.398 78 H ASP 14 H ASP 14 -5.083 -5.821 -11.243 79 HA ASP 14 HA ASP 14 -2.417 -5.808 -11.749 80 HB2 ASP 14 1HB ASP 14 -4.690 -6.979 -13.335 81 HB3 ASP 14 2HB ASP 14 -3.016 -7.211 -13.833 82 H ASP 15 H ASP 15 -4.925 -4.406 -13.827 83 HA ASP 15 HA ASP 15 -2.870 -3.284 -15.577 84 HB2 ASP 15 1HB ASP 15 -4.837 -2.563 -16.963 85 HB3 ASP 15 2HB ASP 15 -4.700 -4.305 -16.744 86 H SER 16 H SER 16 -4.703 -2.419 -12.881 87 HA SER 16 HA SER 16 -4.514 0.447 -13.500 88 HB2 SER 16 1HB SER 16 -6.148 -1.056 -11.448 89 HB3 SER 16 2HB SER 16 -6.031 0.703 -11.495 90 HG SER 16 HG SER 16 -7.845 0.046 -12.646 91 H PHE 17 H PHE 17 -2.433 -1.581 -12.446 92 HA PHE 17 HA PHE 17 -1.750 -0.387 -9.882 93 HB2 PHE 17 1HB PHE 17 -1.408 -2.723 -9.908 94 HB3 PHE 17 2HB PHE 17 -0.623 -2.674 -11.483 95 HD1 PHE 17 2HD PHE 17 1.623 -1.401 -11.609 96 HD2 PHE 17 1HD PHE 17 -0.133 -2.776 -7.984 97 HE1 PHE 17 2HE PHE 17 3.822 -1.301 -10.510 98 HE2 PHE 17 1HE PHE 17 2.063 -2.677 -6.879 99 HZ PHE 17 HZ PHE 17 4.045 -1.940 -8.142 100 H ASP 18 H ASP 18 -0.624 -0.441 -13.206 101 HA ASP 18 HA ASP 18 1.721 1.149 -12.586 102 HB2 ASP 18 1HB ASP 18 0.645 0.388 -15.306 103 HB3 ASP 18 2HB ASP 18 2.270 0.951 -14.924 104 H LYS 19 H LYS 19 -1.254 1.548 -14.499 105 HA LYS 19 HA LYS 19 -0.884 4.174 -15.304 106 HB2 LYS 19 1HB LYS 19 -3.592 3.146 -14.504 107 HB3 LYS 19 2HB LYS 19 -3.170 4.222 -15.830 108 HG2 LYS 19 1HG LYS 19 -1.931 2.232 -16.829 109 HG3 LYS 19 2HG LYS 19 -2.795 1.253 -15.642 110 HD2 LYS 19 1HD LYS 19 -4.903 1.857 -16.552 111 HD3 LYS 19 2HD LYS 19 -4.185 3.126 -17.547 112 HE2 LYS 19 1HE LYS 19 -3.596 0.185 -17.852 113 HE3 LYS 19 2HE LYS 19 -4.795 1.059 -18.803 114 HZ1 LYS 19 1HZ LYS 19 -3.128 2.377 -19.788 115 HZ2 LYS 19 2HZ LYS 19 -2.553 0.788 -19.857 116 HZ3 LYS 19 3HZ LYS 19 -1.944 1.857 -18.696 117 H ASN 20 H ASN 20 -1.339 2.977 -12.167 118 HA ASN 20 HA ASN 20 -2.227 5.597 -11.172 119 HB2 ASN 20 1HB ASN 20 -2.333 2.827 -9.993 120 HB3 ASN 20 2HB ASN 20 -2.538 4.261 -8.991 121 HD21 ASN 20 1HD2 ASN 20 -3.781 2.673 -11.891 122 HD22 ASN 20 2HD2 ASN 20 -5.409 3.223 -11.707 123 H VAL 21 H VAL 21 0.396 3.327 -11.166 124 HA VAL 21 HA VAL 21 1.845 4.916 -9.165 125 HB VAL 21 HB VAL 21 2.351 2.156 -10.268 126 HG11 VAL 21 1HG1 VAL 21 4.494 3.249 -10.054 127 HG12 VAL 21 2HG1 VAL 21 4.086 3.798 -8.427 128 HG13 VAL 21 3HG1 VAL 21 4.299 2.077 -8.751 129 HG21 VAL 21 1HG2 VAL 21 0.886 3.130 -8.061 130 HG22 VAL 21 2HG2 VAL 21 1.242 1.453 -8.477 131 HG23 VAL 21 3HG2 VAL 21 2.332 2.351 -7.420 132 H LEU 22 H LEU 22 2.662 3.188 -12.181 133 HA LEU 22 HA LEU 22 4.991 4.638 -12.720 134 HB2 LEU 22 1HB LEU 22 3.167 3.366 -14.752 135 HB3 LEU 22 2HB LEU 22 4.884 3.717 -14.939 136 HG LEU 22 HG LEU 22 3.587 1.574 -13.277 137 HD11 LEU 22 1HD1 LEU 22 4.486 0.104 -14.743 138 HD12 LEU 22 2HD1 LEU 22 5.904 1.106 -15.052 139 HD13 LEU 22 3HD1 LEU 22 4.369 1.487 -15.831 140 HD21 LEU 22 1HD2 LEU 22 5.357 2.781 -11.980 141 HD22 LEU 22 2HD2 LEU 22 6.508 2.314 -13.232 142 HD23 LEU 22 3HD2 LEU 22 5.692 1.075 -12.276 143 H ASP 23 H ASP 23 1.815 4.961 -14.318 144 HA ASP 23 HA ASP 23 2.379 7.235 -15.801 145 HB2 ASP 23 1HB ASP 23 0.372 6.325 -16.430 146 HB3 ASP 23 2HB ASP 23 -0.108 5.967 -14.773 147 H SER 24 H SER 24 2.124 6.922 -12.440 148 HA SER 24 HA SER 24 1.611 9.796 -12.090 149 HB2 SER 24 1HB SER 24 0.188 8.129 -10.833 150 HB3 SER 24 2HB SER 24 1.637 7.673 -9.937 151 HG SER 24 HG SER 24 0.160 9.392 -9.054 152 H GLU 25 H GLU 25 3.210 11.116 -11.516 153 HA GLU 25 HA GLU 25 5.876 10.115 -11.231 154 HB2 GLU 25 1HB GLU 25 6.551 12.420 -11.115 155 HB3 GLU 25 2HB GLU 25 5.316 12.266 -12.356 156 HG2 GLU 25 1HG GLU 25 3.694 12.935 -10.431 157 HG3 GLU 25 2HG GLU 25 5.159 13.566 -9.680 158 H ASP 26 H ASP 26 3.374 10.294 -9.095 159 HA ASP 26 HA ASP 26 4.919 11.080 -6.768 160 HB2 ASP 26 1HB ASP 26 2.106 9.976 -6.896 161 HB3 ASP 26 2HB ASP 26 2.860 10.779 -5.522 162 H VAL 27 H VAL 27 5.179 9.693 -4.913 163 HA VAL 27 HA VAL 27 6.047 7.063 -5.652 164 HB VAL 27 HB VAL 27 5.945 8.469 -2.985 165 HG11 VAL 27 1HG1 VAL 27 5.728 6.115 -2.553 166 HG12 VAL 27 2HG1 VAL 27 7.045 5.747 -3.670 167 HG13 VAL 27 3HG1 VAL 27 7.375 6.612 -2.168 168 HG21 VAL 27 1HG2 VAL 27 8.010 8.057 -5.091 169 HG22 VAL 27 2HG2 VAL 27 7.646 9.493 -4.135 170 HG23 VAL 27 3HG2 VAL 27 8.520 8.147 -3.405 171 H TRP 28 H TRP 28 5.015 5.177 -5.434 172 HA TRP 28 HA TRP 28 2.473 5.161 -3.941 173 HB2 TRP 28 1HB TRP 28 3.207 3.951 -6.587 174 HB3 TRP 28 2HB TRP 28 1.936 3.224 -5.608 175 HD1 TRP 28 HD TRP 28 2.755 6.498 -7.464 176 HE1 TRP 28 1HE TRP 28 0.543 7.710 -7.977 177 HE3 TRP 28 3HE TRP 28 -0.456 3.432 -4.930 178 HZ2 TRP 28 2HZ TRP 28 -2.200 7.407 -7.385 179 HZ3 TRP 28 3HZ TRP 28 -2.859 3.964 -4.952 180 HH2 TRP 28 HH TRP 28 -3.710 5.911 -6.154 181 H MET 29 H MET 29 2.496 3.890 -2.218 182 HA MET 29 HA MET 29 4.544 1.820 -1.991 183 HB2 MET 29 1HB MET 29 2.869 3.356 -0.069 184 HB3 MET 29 2HB MET 29 3.386 1.745 0.409 185 HG2 MET 29 1HG MET 29 5.724 2.408 -0.020 186 HG3 MET 29 2HG MET 29 5.163 4.038 -0.387 187 HE1 MET 29 1HE MET 29 7.278 2.815 2.222 188 HE2 MET 29 2HE MET 29 6.258 2.347 3.583 189 HE3 MET 29 3HE MET 29 6.154 1.466 2.058 190 H VAL 30 H VAL 30 3.939 -0.044 -2.915 191 HA VAL 30 HA VAL 30 1.177 -0.951 -2.731 192 HB VAL 30 HB VAL 30 3.547 -2.192 -4.137 193 HG11 VAL 30 1HG1 VAL 30 2.308 -3.993 -4.540 194 HG12 VAL 30 2HG1 VAL 30 1.124 -3.371 -3.389 195 HG13 VAL 30 3HG1 VAL 30 0.963 -3.004 -5.107 196 HG21 VAL 30 1HG2 VAL 30 2.987 -1.063 -6.017 197 HG22 VAL 30 2HG2 VAL 30 1.265 -1.066 -5.640 198 HG23 VAL 30 3HG2 VAL 30 2.338 0.093 -4.855 199 H GLU 31 H GLU 31 0.468 -2.454 -1.354 200 HA GLU 31 HA GLU 31 2.457 -4.080 0.086 201 HB2 GLU 31 1HB GLU 31 1.669 -2.361 1.597 202 HB3 GLU 31 2HB GLU 31 -0.004 -2.738 1.213 203 HG2 GLU 31 1HG GLU 31 1.854 -4.737 2.461 204 HG3 GLU 31 2HG GLU 31 0.887 -3.610 3.411 205 H PHE 32 H PHE 32 2.182 -6.005 -0.907 206 HA PHE 32 HA PHE 32 -0.381 -6.999 -1.697 207 HB2 PHE 32 1HB PHE 32 2.242 -8.486 -1.447 208 HB3 PHE 32 2HB PHE 32 0.819 -9.027 -2.330 209 HD1 PHE 32 2HD PHE 32 3.552 -6.562 -2.267 210 HD2 PHE 32 1HD PHE 32 0.346 -8.231 -4.514 211 HE1 PHE 32 2HE PHE 32 4.384 -5.431 -4.287 212 HE2 PHE 32 1HE PHE 32 1.173 -7.103 -6.539 213 HZ PHE 32 HZ PHE 32 3.194 -5.700 -6.426 214 H TYR 33 H TYR 33 -1.845 -7.670 -0.282 215 HA TYR 33 HA TYR 33 -0.925 -9.160 2.089 216 HB2 TYR 33 1HB TYR 33 -2.644 -8.226 3.373 217 HB3 TYR 33 2HB TYR 33 -2.091 -6.874 2.392 218 HD1 TYR 33 1HD TYR 33 -4.706 -9.515 2.557 219 HD2 TYR 33 2HD TYR 33 -3.601 -5.690 1.056 220 HE1 TYR 33 1HE TYR 33 -7.001 -9.180 1.738 221 HE2 TYR 33 2HE TYR 33 -5.893 -5.344 0.234 222 HH TYR 33 HH TYR 33 -8.166 -7.842 0.023 223 H ALA 34 H ALA 34 -2.647 -10.667 2.965 224 HA ALA 34 HA ALA 34 -4.072 -11.978 0.742 225 HB1 ALA 34 1HB ALA 34 -2.131 -13.059 2.648 226 HB2 ALA 34 2HB ALA 34 -3.602 -14.020 2.484 227 HB3 ALA 34 3HB ALA 34 -2.622 -13.656 1.063 228 HA PRO 35 HA PRO 35 -7.652 -11.393 3.278 229 HB2 PRO 35 1HB PRO 35 -9.332 -13.002 1.877 230 HB3 PRO 35 2HB PRO 35 -8.843 -11.400 1.313 231 HG2 PRO 35 1HG PRO 35 -7.786 -14.089 0.528 232 HG3 PRO 35 2HG PRO 35 -8.164 -12.692 -0.497 233 HD2 PRO 35 1HD PRO 35 -5.637 -13.301 0.261 234 HD3 PRO 35 2HD PRO 35 -6.179 -11.631 0.000 235 H TRP 36 H TRP 36 -5.835 -14.197 3.025 236 HA TRP 36 HA TRP 36 -7.451 -15.503 5.113 237 HB2 TRP 36 1HB TRP 36 -6.310 -17.658 4.123 238 HB3 TRP 36 2HB TRP 36 -7.768 -17.001 3.384 239 HD1 TRP 36 HD TRP 36 -7.641 -16.622 0.855 240 HE1 TRP 36 1HE TRP 36 -5.756 -16.462 -0.890 241 HE3 TRP 36 3HE TRP 36 -3.611 -16.804 3.995 242 HZ2 TRP 36 2HZ TRP 36 -2.933 -16.421 -0.930 243 HZ3 TRP 36 3HZ TRP 36 -1.353 -16.699 3.023 244 HH2 TRP 36 HH TRP 36 -1.023 -16.512 0.611 245 H CYS 37 H CYS 37 -4.837 -13.769 4.777 246 HA CYS 37 HA CYS 37 -3.053 -15.503 6.335 247 HB2 CYS 37 1HB CYS 37 -2.141 -14.423 4.282 248 HB3 CYS 37 2HB CYS 37 -2.434 -12.852 5.018 249 HG CYS 37 HG CYS 37 -0.515 -12.990 6.905 250 H GLY 38 H GLY 38 -2.329 -14.937 8.358 251 HA2 GLY 38 1HA GLY 38 -4.025 -13.211 9.880 252 HA3 GLY 38 2HA GLY 38 -2.612 -14.069 10.474 253 H HIS 39 H HIS 39 -0.508 -13.103 9.284 254 HA HIS 39 HA HIS 39 0.234 -10.824 10.470 255 HB2 HIS 39 1HB HIS 39 0.978 -11.910 7.774 256 HB3 HIS 39 2HB HIS 39 1.667 -10.388 8.331 257 HD1 HIS 39 1HD HIS 39 2.717 -10.700 10.945 258 HD2 HIS 39 2HD HIS 39 2.556 -13.994 8.418 259 HE1 HIS 39 1HE HIS 39 4.383 -12.340 11.871 260 HE2 HIS 39 2HE HIS 39 4.330 -14.289 10.277 261 H CYS 40 H CYS 40 -1.596 -10.993 7.453 262 HA CYS 40 HA CYS 40 -1.595 -8.218 6.917 263 HB2 CYS 40 1HB CYS 40 -2.169 -9.489 5.064 264 HB3 CYS 40 2HB CYS 40 -3.223 -10.551 5.990 265 HG CYS 40 HG CYS 40 -5.074 -9.360 4.514 266 H LYS 41 H LYS 41 -4.172 -10.294 8.251 267 HA LYS 41 HA LYS 41 -6.116 -8.508 8.806 268 HB2 LYS 41 1HB LYS 41 -5.150 -10.648 10.713 269 HB3 LYS 41 2HB LYS 41 -6.732 -9.879 10.755 270 HG2 LYS 41 1HG LYS 41 -5.894 -11.205 8.234 271 HG3 LYS 41 2HG LYS 41 -6.348 -12.221 9.605 272 HD2 LYS 41 1HD LYS 41 -8.087 -9.960 8.657 273 HD3 LYS 41 2HD LYS 41 -8.189 -11.575 7.950 274 HE2 LYS 41 1HE LYS 41 -8.299 -11.297 10.914 275 HE3 LYS 41 2HE LYS 41 -9.723 -10.861 9.971 276 HZ1 LYS 41 1HZ LYS 41 -9.937 -13.021 9.162 277 HZ2 LYS 41 2HZ LYS 41 -9.540 -13.244 10.791 278 HZ3 LYS 41 3HZ LYS 41 -8.361 -13.457 9.597 279 H ASN 42 H ASN 42 -3.104 -8.886 10.588 280 HA ASN 42 HA ASN 42 -3.855 -6.916 12.569 281 HB2 ASN 42 1HB ASN 42 -1.956 -7.533 13.721 282 HB3 ASN 42 2HB ASN 42 -2.258 -9.007 12.805 283 HD21 ASN 42 1HD2 ASN 42 -0.494 -9.839 11.987 284 HD22 ASN 42 2HD2 ASN 42 0.875 -8.965 11.398 285 H LEU 43 H LEU 43 -2.036 -7.062 9.600 286 HA LEU 43 HA LEU 43 -0.779 -4.497 9.957 287 HB2 LEU 43 1HB LEU 43 0.354 -6.155 8.647 288 HB3 LEU 43 2HB LEU 43 -1.037 -6.326 7.578 289 HG LEU 43 HG LEU 43 -0.639 -3.944 6.859 290 HD11 LEU 43 1HD1 LEU 43 0.813 -2.720 8.000 291 HD12 LEU 43 2HD1 LEU 43 2.106 -3.763 7.410 292 HD13 LEU 43 3HD1 LEU 43 1.317 -4.121 8.945 293 HD21 LEU 43 1HD2 LEU 43 1.618 -4.696 5.670 294 HD22 LEU 43 2HD2 LEU 43 0.048 -5.367 5.226 295 HD23 LEU 43 3HD2 LEU 43 1.119 -6.265 6.302 296 H GLU 44 H GLU 44 -3.826 -5.599 8.921 297 HA GLU 44 HA GLU 44 -4.601 -3.825 6.963 298 HB2 GLU 44 1HB GLU 44 -6.270 -5.323 7.380 299 HB3 GLU 44 2HB GLU 44 -6.007 -5.297 9.118 300 HG2 GLU 44 1HG GLU 44 -7.270 -3.342 9.393 301 HG3 GLU 44 2HG GLU 44 -7.236 -2.979 7.668 302 HA PRO 45 HA PRO 45 -5.893 -0.614 10.335 303 HB2 PRO 45 1HB PRO 45 -5.053 -1.070 12.875 304 HB3 PRO 45 2HB PRO 45 -6.589 -1.678 12.248 305 HG2 PRO 45 1HG PRO 45 -3.975 -3.102 12.563 306 HG3 PRO 45 2HG PRO 45 -5.612 -3.674 12.933 307 HD2 PRO 45 1HD PRO 45 -4.301 -4.375 10.670 308 HD3 PRO 45 2HD PRO 45 -6.065 -4.189 10.732 309 H GLU 46 H GLU 46 -2.780 -2.195 10.509 310 HA GLU 46 HA GLU 46 -1.350 0.102 11.451 311 HB2 GLU 46 1HB GLU 46 -0.487 -2.524 10.252 312 HB3 GLU 46 2HB GLU 46 0.665 -1.265 10.674 313 HG2 GLU 46 1HG GLU 46 -1.119 -2.846 12.490 314 HG3 GLU 46 2HG GLU 46 0.640 -2.732 12.497 315 H TRP 47 H TRP 47 -2.232 -1.201 8.338 316 HA TRP 47 HA TRP 47 -0.448 0.539 6.875 317 HB2 TRP 47 1HB TRP 47 -1.152 -1.763 6.099 318 HB3 TRP 47 2HB TRP 47 -2.745 -1.086 5.775 319 HD1 TRP 47 HD TRP 47 -3.085 0.030 3.473 320 HE1 TRP 47 1HE TRP 47 -1.548 0.631 1.497 321 HE3 TRP 47 3HE TRP 47 1.441 -0.961 5.634 322 HZ2 TRP 47 2HZ TRP 47 1.216 0.678 0.930 323 HZ3 TRP 47 3HZ TRP 47 3.483 -0.613 4.306 324 HH2 TRP 47 HH TRP 47 3.371 0.189 2.003 325 H ALA 48 H ALA 48 -3.870 0.414 7.701 326 HA ALA 48 HA ALA 48 -4.784 2.475 6.041 327 HB1 ALA 48 1HB ALA 48 -5.792 0.972 8.308 328 HB2 ALA 48 2HB ALA 48 -6.350 2.646 8.313 329 HB3 ALA 48 3HB ALA 48 -6.649 1.621 6.909 330 H ALA 49 H ALA 49 -3.590 2.580 9.388 331 HA ALA 49 HA ALA 49 -3.935 5.357 9.749 332 HB1 ALA 49 1HB ALA 49 -2.521 5.114 11.695 333 HB2 ALA 49 2HB ALA 49 -3.640 3.754 11.598 334 HB3 ALA 49 3HB ALA 49 -1.955 3.545 11.123 335 H ALA 50 H ALA 50 -1.090 3.439 8.813 336 HA ALA 50 HA ALA 50 0.788 5.465 8.655 337 HB1 ALA 50 1HB ALA 50 0.548 2.757 7.725 338 HB2 ALA 50 2HB ALA 50 1.348 3.755 6.510 339 HB3 ALA 50 3HB ALA 50 1.996 3.673 8.148 340 H ALA 51 H ALA 51 -1.696 4.541 6.340 341 HA ALA 51 HA ALA 51 -0.822 6.022 4.135 342 HB1 ALA 51 1HB ALA 51 -3.725 5.647 4.791 343 HB2 ALA 51 2HB ALA 51 -2.940 5.679 3.211 344 HB3 ALA 51 3HB ALA 51 -2.709 4.297 4.282 345 H SER 52 H SER 52 -3.002 6.941 6.787 346 HA SER 52 HA SER 52 -3.417 9.590 5.813 347 HB2 SER 52 1HB SER 52 -4.097 8.101 8.311 348 HB3 SER 52 2HB SER 52 -4.167 9.863 8.344 349 HG SER 52 HG SER 52 -6.068 9.568 7.498 350 H GLU 53 H GLU 53 -1.164 8.089 8.041 351 HA GLU 53 HA GLU 53 -0.125 10.548 9.072 352 HB2 GLU 53 1HB GLU 53 0.059 8.553 10.411 353 HB3 GLU 53 2HB GLU 53 0.936 7.721 9.135 354 HG2 GLU 53 1HG GLU 53 2.641 8.298 10.543 355 HG3 GLU 53 2HG GLU 53 2.647 9.662 9.428 356 H VAL 54 H VAL 54 0.540 8.535 6.323 357 HA VAL 54 HA VAL 54 3.105 9.749 5.769 358 HB VAL 54 HB VAL 54 1.400 7.813 4.205 359 HG11 VAL 54 1HG1 VAL 54 3.191 7.628 2.603 360 HG12 VAL 54 2HG1 VAL 54 2.674 9.312 2.697 361 HG13 VAL 54 3HG1 VAL 54 4.160 8.799 3.495 362 HG21 VAL 54 1HG2 VAL 54 4.030 6.902 4.874 363 HG22 VAL 54 2HG2 VAL 54 3.222 7.491 6.327 364 HG23 VAL 54 3HG2 VAL 54 2.468 6.234 5.347 365 H LYS 55 H LYS 55 -0.211 10.006 4.619 366 HA LYS 55 HA LYS 55 0.407 11.761 2.446 367 HB2 LYS 55 1HB LYS 55 -1.855 11.759 1.984 368 HB3 LYS 55 2HB LYS 55 -1.684 10.232 2.840 369 HG2 LYS 55 1HG LYS 55 -2.561 11.177 4.848 370 HG3 LYS 55 2HG LYS 55 -2.537 12.800 4.155 371 HD2 LYS 55 1HD LYS 55 -4.122 11.876 2.378 372 HD3 LYS 55 2HD LYS 55 -4.323 10.487 3.449 373 HE2 LYS 55 1HE LYS 55 -5.049 12.003 5.244 374 HE3 LYS 55 2HE LYS 55 -4.883 13.370 4.144 375 HZ1 LYS 55 1HZ LYS 55 -6.673 11.067 3.614 376 HZ2 LYS 55 2HZ LYS 55 -6.627 12.546 2.795 377 HZ3 LYS 55 3HZ LYS 55 -7.186 12.480 4.390 378 H GLU 56 H GLU 56 0.016 12.160 5.817 379 HA GLU 56 HA GLU 56 -0.659 14.982 5.628 380 HB2 GLU 56 1HB GLU 56 -1.139 14.910 7.871 381 HB3 GLU 56 2HB GLU 56 -1.416 13.227 7.447 382 HG2 GLU 56 1HG GLU 56 0.735 12.598 8.302 383 HG3 GLU 56 2HG GLU 56 1.160 14.285 8.584 384 H GLN 57 H GLN 57 2.106 12.938 6.167 385 HA GLN 57 HA GLN 57 3.774 15.191 6.962 386 HB2 GLN 57 1HB GLN 57 4.284 12.229 6.730 387 HB3 GLN 57 2HB GLN 57 5.570 13.385 7.052 388 HG2 GLN 57 1HG GLN 57 4.327 14.125 9.066 389 HG3 GLN 57 2HG GLN 57 3.158 12.840 8.765 390 HE21 GLN 57 1HE2 GLN 57 4.568 10.704 8.148 391 HE22 GLN 57 2HE2 GLN 57 5.666 10.268 9.409 392 H THR 58 H THR 58 3.086 13.213 4.194 393 HA THR 58 HA THR 58 5.327 14.403 2.717 394 HB THR 58 HB THR 58 5.098 12.687 1.095 395 HG1 THR 58 1HG THR 58 2.580 12.248 2.318 396 HG21 THR 58 1HG2 THR 58 4.604 10.673 2.968 397 HG22 THR 58 2HG2 THR 58 5.275 12.013 3.898 398 HG23 THR 58 3HG2 THR 58 6.170 11.355 2.528 399 H LYS 59 H LYS 59 2.382 15.343 3.428 400 HA LYS 59 HA LYS 59 0.804 16.681 2.481 401 HB2 LYS 59 1HB LYS 59 3.173 17.200 0.699 402 HB3 LYS 59 2HB LYS 59 1.633 18.006 0.431 403 HG2 LYS 59 1HG LYS 59 2.619 19.565 1.742 404 HG3 LYS 59 2HG LYS 59 1.912 18.563 3.011 405 HD2 LYS 59 1HD LYS 59 4.045 18.697 3.803 406 HD3 LYS 59 2HD LYS 59 4.225 17.284 2.762 407 HE2 LYS 59 1HE LYS 59 5.422 18.432 1.183 408 HE3 LYS 59 2HE LYS 59 4.664 19.975 1.574 409 HZ1 LYS 59 1HZ LYS 59 6.828 18.584 3.039 410 HZ2 LYS 59 2HZ LYS 59 5.942 19.849 3.729 411 HZ3 LYS 59 3HZ LYS 59 6.863 20.123 2.336 412 H GLY 60 H GLY 60 0.809 13.902 1.747 413 HA2 GLY 60 1HA GLY 60 -0.616 12.651 0.405 414 HA3 GLY 60 2HA GLY 60 -0.919 14.086 -0.562 415 H LYS 61 H LYS 61 2.294 14.044 -0.429 416 HA LYS 61 HA LYS 61 2.720 13.349 -3.076 417 HB2 LYS 61 1HB LYS 61 4.347 14.647 -1.860 418 HB3 LYS 61 2HB LYS 61 4.636 13.322 -0.740 419 HG2 LYS 61 1HG LYS 61 6.442 13.541 -2.359 420 HG3 LYS 61 2HG LYS 61 5.607 11.995 -2.530 421 HD2 LYS 61 1HD LYS 61 4.353 12.860 -4.426 422 HD3 LYS 61 2HD LYS 61 5.117 14.439 -4.233 423 HE2 LYS 61 1HE LYS 61 7.333 13.149 -4.503 424 HE3 LYS 61 2HE LYS 61 6.328 11.853 -5.149 425 HZ1 LYS 61 1HZ LYS 61 7.292 14.075 -6.497 426 HZ2 LYS 61 2HZ LYS 61 5.622 14.304 -6.357 427 HZ3 LYS 61 3HZ LYS 61 6.225 12.900 -7.082 428 H VAL 62 H VAL 62 3.754 11.399 -0.269 429 HA VAL 62 HA VAL 62 4.000 9.049 -1.934 430 HB VAL 62 HB VAL 62 4.245 9.154 1.068 431 HG11 VAL 62 1HG1 VAL 62 4.630 7.135 -0.969 432 HG12 VAL 62 2HG1 VAL 62 6.088 7.380 -0.006 433 HG13 VAL 62 3HG1 VAL 62 4.566 6.969 0.785 434 HG21 VAL 62 1HG2 VAL 62 6.373 9.716 -0.996 435 HG22 VAL 62 2HG2 VAL 62 5.686 10.879 0.138 436 HG23 VAL 62 3HG2 VAL 62 6.651 9.529 0.736 437 H LYS 63 H LYS 63 2.222 7.981 -2.498 438 HA LYS 63 HA LYS 63 -0.070 7.896 -0.692 439 HB2 LYS 63 1HB LYS 63 0.261 6.976 -3.552 440 HB3 LYS 63 2HB LYS 63 -1.232 6.845 -2.633 441 HG2 LYS 63 1HG LYS 63 -1.443 9.216 -2.495 442 HG3 LYS 63 2HG LYS 63 0.168 9.451 -3.178 443 HD2 LYS 63 1HD LYS 63 -0.515 8.962 -5.308 444 HD3 LYS 63 2HD LYS 63 -1.817 7.901 -4.763 445 HE2 LYS 63 1HE LYS 63 -2.968 9.740 -5.575 446 HE3 LYS 63 2HE LYS 63 -2.877 10.077 -3.847 447 HZ1 LYS 63 1HZ LYS 63 -2.148 11.794 -5.777 448 HZ2 LYS 63 2HZ LYS 63 -0.658 11.098 -5.385 449 HZ3 LYS 63 3HZ LYS 63 -1.581 11.852 -4.184 450 H LEU 64 H LEU 64 -1.160 5.868 -0.252 451 HA LEU 64 HA LEU 64 0.618 3.525 -0.350 452 HB2 LEU 64 1HB LEU 64 -0.737 4.782 1.969 453 HB3 LEU 64 2HB LEU 64 -0.684 3.021 1.917 454 HG LEU 64 HG LEU 64 1.832 3.247 1.660 455 HD11 LEU 64 1HD1 LEU 64 2.779 5.360 2.544 456 HD12 LEU 64 2HD1 LEU 64 1.170 6.075 2.463 457 HD13 LEU 64 3HD1 LEU 64 1.975 5.548 0.986 458 HD21 LEU 64 1HD2 LEU 64 0.622 4.288 4.219 459 HD22 LEU 64 2HD2 LEU 64 2.176 3.474 4.035 460 HD23 LEU 64 3HD2 LEU 64 0.678 2.589 3.748 461 H ALA 65 H ALA 65 -0.295 1.869 -1.354 462 HA ALA 65 HA ALA 65 -3.221 1.569 -1.218 463 HB1 ALA 65 1HB ALA 65 -3.459 1.602 -3.433 464 HB2 ALA 65 2HB ALA 65 -1.828 2.272 -3.496 465 HB3 ALA 65 3HB ALA 65 -2.076 0.535 -3.677 466 H ALA 66 H ALA 66 -3.864 -0.708 -2.003 467 HA ALA 66 HA ALA 66 -1.894 -2.699 -1.105 468 HB1 ALA 66 1HB ALA 66 -3.494 -3.838 0.231 469 HB2 ALA 66 2HB ALA 66 -3.555 -2.137 0.694 470 HB3 ALA 66 3HB ALA 66 -4.806 -2.812 -0.351 471 H VAL 67 H VAL 67 -2.257 -4.853 -1.902 472 HA VAL 67 HA VAL 67 -4.138 -5.095 -4.134 473 HB VAL 67 HB VAL 67 -1.197 -5.752 -4.362 474 HG11 VAL 67 1HG1 VAL 67 -3.094 -7.173 -5.538 475 HG12 VAL 67 2HG1 VAL 67 -3.057 -5.827 -6.678 476 HG13 VAL 67 3HG1 VAL 67 -1.594 -6.763 -6.369 477 HG21 VAL 67 1HG2 VAL 67 -2.146 -3.293 -4.534 478 HG22 VAL 67 2HG2 VAL 67 -0.900 -3.877 -5.637 479 HG23 VAL 67 3HG2 VAL 67 -2.585 -3.829 -6.156 480 H ASP 68 H ASP 68 -5.131 -7.012 -4.177 481 HA ASP 68 HA ASP 68 -4.483 -8.976 -2.173 482 HB2 ASP 68 1HB ASP 68 -6.617 -8.919 -4.315 483 HB3 ASP 68 2HB ASP 68 -6.472 -10.178 -3.092 484 H ALA 69 H ALA 69 -2.734 -10.196 -2.562 485 HA ALA 69 HA ALA 69 -1.747 -10.915 -5.085 486 HB1 ALA 69 1HB ALA 69 -0.966 -11.260 -2.413 487 HB2 ALA 69 2HB ALA 69 -1.030 -12.875 -3.119 488 HB3 ALA 69 3HB ALA 69 -0.035 -11.625 -3.866 489 H THR 70 H THR 70 -4.500 -11.988 -3.512 490 HA THR 70 HA THR 70 -4.460 -14.700 -4.521 491 HB THR 70 HB THR 70 -6.640 -14.954 -3.527 492 HG1 THR 70 1HG THR 70 -7.484 -12.953 -2.424 493 HG21 THR 70 1HG2 THR 70 -6.127 -14.552 -1.235 494 HG22 THR 70 2HG2 THR 70 -5.036 -13.228 -1.646 495 HG23 THR 70 3HG2 THR 70 -4.599 -14.888 -2.047 496 H VAL 71 H VAL 71 -5.611 -11.594 -5.529 497 HA VAL 71 HA VAL 71 -7.053 -12.844 -7.774 498 HB VAL 71 HB VAL 71 -8.357 -11.315 -6.226 499 HG11 VAL 71 1HG1 VAL 71 -7.231 -8.981 -7.657 500 HG12 VAL 71 2HG1 VAL 71 -7.905 -9.100 -6.031 501 HG13 VAL 71 3HG1 VAL 71 -6.264 -9.663 -6.350 502 HG21 VAL 71 1HG2 VAL 71 -8.158 -10.848 -9.185 503 HG22 VAL 71 2HG2 VAL 71 -9.343 -11.806 -8.298 504 HG23 VAL 71 3HG2 VAL 71 -9.378 -10.045 -8.196 505 H ASN 72 H ASN 72 -4.414 -10.837 -6.865 506 HA ASN 72 HA ASN 72 -4.037 -9.865 -9.598 507 HB2 ASN 72 1HB ASN 72 -3.008 -9.075 -6.919 508 HB3 ASN 72 2HB ASN 72 -1.956 -8.791 -8.303 509 HD21 ASN 72 1HD2 ASN 72 -5.267 -8.269 -7.173 510 HD22 ASN 72 2HD2 ASN 72 -5.479 -6.744 -7.957 511 H GLN 73 H GLN 73 -2.978 -11.166 -10.935 512 HA GLN 73 HA GLN 73 -0.766 -12.788 -9.859 513 HB2 GLN 73 1HB GLN 73 -2.543 -13.323 -12.245 514 HB3 GLN 73 2HB GLN 73 -1.168 -14.314 -11.774 515 HG2 GLN 73 1HG GLN 73 -3.386 -13.798 -9.841 516 HG3 GLN 73 2HG GLN 73 -3.556 -15.028 -11.092 517 HE21 GLN 73 1HE2 GLN 73 -3.440 -15.311 -8.191 518 HE22 GLN 73 2HE2 GLN 73 -2.115 -16.371 -7.866 519 H VAL 74 H VAL 74 -1.820 -10.675 -12.459 520 HA VAL 74 HA VAL 74 0.357 -10.857 -14.174 521 HB VAL 74 HB VAL 74 -1.207 -8.349 -13.547 522 HG11 VAL 74 1HG1 VAL 74 -0.427 -8.611 -16.279 523 HG12 VAL 74 2HG1 VAL 74 0.004 -7.353 -15.118 524 HG13 VAL 74 3HG1 VAL 74 0.995 -8.806 -15.254 525 HG21 VAL 74 1HG2 VAL 74 -1.863 -10.021 -15.897 526 HG22 VAL 74 2HG2 VAL 74 -2.345 -10.646 -14.319 527 HG23 VAL 74 3HG2 VAL 74 -2.916 -9.065 -14.854 528 H LEU 75 H LEU 75 -0.041 -8.974 -11.220 529 HA LEU 75 HA LEU 75 2.592 -7.773 -11.526 530 HB2 LEU 75 1HB LEU 75 0.779 -7.507 -9.148 531 HB3 LEU 75 2HB LEU 75 2.053 -6.413 -9.680 532 HG LEU 75 HG LEU 75 -0.496 -6.861 -11.222 533 HD11 LEU 75 1HD1 LEU 75 0.142 -4.636 -9.291 534 HD12 LEU 75 2HD1 LEU 75 -0.983 -5.959 -8.984 535 HD13 LEU 75 3HD1 LEU 75 -1.317 -4.798 -10.268 536 HD21 LEU 75 1HD2 LEU 75 0.380 -4.404 -11.868 537 HD22 LEU 75 2HD2 LEU 75 0.822 -5.861 -12.758 538 HD23 LEU 75 3HD2 LEU 75 1.920 -5.200 -11.546 539 H ALA 76 H ALA 76 0.899 -9.803 -9.136 540 HA ALA 76 HA ALA 76 2.956 -10.305 -7.389 541 HB1 ALA 76 1HB ALA 76 1.814 -12.582 -7.080 542 HB2 ALA 76 2HB ALA 76 0.862 -11.128 -6.774 543 HB3 ALA 76 3HB ALA 76 0.660 -12.011 -8.287 544 H SER 77 H SER 77 2.297 -11.893 -10.478 545 HA SER 77 HA SER 77 4.439 -13.779 -10.201 546 HB2 SER 77 1HB SER 77 2.439 -14.263 -11.571 547 HB3 SER 77 2HB SER 77 2.894 -12.967 -12.677 548 HG SER 77 HG SER 77 4.988 -14.263 -12.750 549 H ARG 78 H ARG 78 4.165 -10.527 -11.254 550 HA ARG 78 HA ARG 78 6.388 -10.458 -13.023 551 HB2 ARG 78 1HB ARG 78 4.586 -8.745 -12.976 552 HB3 ARG 78 2HB ARG 78 5.189 -8.194 -11.419 553 HG2 ARG 78 1HG ARG 78 7.380 -7.718 -12.541 554 HG3 ARG 78 2HG ARG 78 6.582 -8.054 -14.079 555 HD2 ARG 78 1HD ARG 78 4.859 -6.307 -13.354 556 HD3 ARG 78 2HD ARG 78 6.033 -5.843 -12.123 557 HE ARG 78 HE ARG 78 6.115 -5.178 -14.878 558 HH11 ARG 78 2HH1 ARG 78 8.151 -6.019 -12.182 559 HH12 ARG 78 1HH1 ARG 78 9.533 -5.172 -12.794 560 HH21 ARG 78 2HH2 ARG 78 7.927 -4.059 -15.694 561 HH22 ARG 78 1HH2 ARG 78 9.404 -4.057 -14.792 562 H TYR 79 H TYR 79 5.990 -9.716 -9.579 563 HA TYR 79 HA TYR 79 8.904 -9.440 -9.335 564 HB2 TYR 79 1HB TYR 79 6.869 -8.789 -7.208 565 HB3 TYR 79 2HB TYR 79 8.540 -8.246 -7.314 566 HD1 TYR 79 2HD TYR 79 5.158 -7.837 -8.729 567 HD2 TYR 79 1HD TYR 79 9.137 -6.334 -8.613 568 HE1 TYR 79 2HE TYR 79 4.414 -5.794 -9.880 569 HE2 TYR 79 1HE TYR 79 8.404 -4.287 -9.763 570 HH TYR 79 HH TYR 79 6.197 -3.820 -11.461 571 H GLY 80 H GLY 80 6.289 -11.533 -8.635 572 HA2 GLY 80 1HA GLY 80 6.500 -13.758 -7.929 573 HA3 GLY 80 2HA GLY 80 8.120 -13.397 -7.349 574 H ILE 81 H ILE 81 5.159 -11.636 -6.577 575 HA ILE 81 HA ILE 81 5.715 -11.630 -3.803 576 HB ILE 81 HB ILE 81 3.072 -11.079 -5.157 577 HG12 ILE 81 1HG1 ILE 81 4.922 -9.696 -6.052 578 HG13 ILE 81 2HG1 ILE 81 3.740 -8.738 -5.166 579 HG21 ILE 81 1HG2 ILE 81 2.261 -10.694 -3.129 580 HG22 ILE 81 2HG2 ILE 81 3.790 -11.220 -2.428 581 HG23 ILE 81 3HG2 ILE 81 3.539 -9.519 -2.820 582 HD11 ILE 81 1HD1 ILE 81 6.474 -8.707 -4.825 583 HD12 ILE 81 2HD1 ILE 81 5.271 -8.027 -3.729 584 HD13 ILE 81 3HD1 ILE 81 5.888 -9.657 -3.460 585 H ARG 82 H ARG 82 5.801 -13.540 -2.763 586 HA ARG 82 HA ARG 82 3.413 -15.261 -2.910 587 HB2 ARG 82 1HB ARG 82 6.299 -16.100 -2.578 588 HB3 ARG 82 2HB ARG 82 4.922 -17.182 -2.415 589 HG2 ARG 82 1HG ARG 82 4.328 -16.838 -4.730 590 HG3 ARG 82 2HG ARG 82 5.621 -15.651 -4.911 591 HD2 ARG 82 1HD ARG 82 6.241 -18.427 -3.987 592 HD3 ARG 82 2HD ARG 82 5.996 -18.099 -5.702 593 HE ARG 82 HE ARG 82 8.294 -17.460 -4.162 594 HH11 ARG 82 2HH1 ARG 82 6.309 -16.316 -6.783 595 HH12 ARG 82 1HH1 ARG 82 7.590 -15.427 -7.539 596 HH21 ARG 82 2HH2 ARG 82 9.989 -16.294 -5.147 597 HH22 ARG 82 1HH2 ARG 82 9.684 -15.416 -6.608 598 H GLY 83 H GLY 83 5.896 -13.799 -0.930 599 HA2 GLY 83 1HA GLY 83 4.655 -14.910 1.494 600 HA3 GLY 83 2HA GLY 83 6.243 -14.163 1.409 601 H PHE 84 H PHE 84 2.908 -13.681 1.981 602 HA PHE 84 HA PHE 84 3.200 -10.767 1.975 603 HB2 PHE 84 1HB PHE 84 0.623 -12.087 2.685 604 HB3 PHE 84 2HB PHE 84 0.913 -10.606 1.779 605 HD1 PHE 84 2HD PHE 84 2.611 -11.372 -0.387 606 HD2 PHE 84 1HD PHE 84 -0.592 -13.538 1.391 607 HE1 PHE 84 2HE PHE 84 2.274 -12.597 -2.494 608 HE2 PHE 84 1HE PHE 84 -0.934 -14.767 -0.713 609 HZ PHE 84 HZ PHE 84 0.499 -14.296 -2.660 610 HA PRO 85 HA PRO 85 1.691 -9.166 2.897 611 HB2 PRO 85 1HB PRO 85 2.695 -7.037 4.249 612 HB3 PRO 85 2HB PRO 85 1.167 -7.814 4.679 613 HG2 PRO 85 1HG PRO 85 3.877 -8.157 5.904 614 HG3 PRO 85 2HG PRO 85 2.300 -8.002 6.701 615 HD2 PRO 85 1HD PRO 85 3.527 -10.390 6.351 616 HD3 PRO 85 2HD PRO 85 1.760 -10.213 6.342 617 H THR 86 H THR 86 2.788 -7.547 1.579 618 HA THR 86 HA THR 86 5.708 -7.736 1.520 619 HB THR 86 HB THR 86 4.145 -8.028 -1.037 620 HG1 THR 86 1HG THR 86 5.344 -10.221 0.290 621 HG21 THR 86 1HG2 THR 86 6.987 -8.124 -0.205 622 HG22 THR 86 2HG2 THR 86 6.264 -7.543 -1.705 623 HG23 THR 86 3HG2 THR 86 6.482 -9.273 -1.443 624 H ILE 87 H ILE 87 6.203 -5.655 1.869 625 HA ILE 87 HA ILE 87 4.684 -3.556 0.517 626 HB ILE 87 HB ILE 87 6.835 -3.364 2.628 627 HG12 ILE 87 1HG1 ILE 87 3.953 -2.607 2.980 628 HG13 ILE 87 2HG1 ILE 87 4.446 -4.289 3.144 629 HG21 ILE 87 1HG2 ILE 87 6.036 -0.980 2.784 630 HG22 ILE 87 2HG2 ILE 87 6.952 -1.384 1.333 631 HG23 ILE 87 3HG2 ILE 87 5.196 -1.248 1.257 632 HD11 ILE 87 1HD1 ILE 87 6.173 -3.415 4.817 633 HD12 ILE 87 2HD1 ILE 87 5.210 -1.937 4.824 634 HD13 ILE 87 3HD1 ILE 87 4.482 -3.467 5.313 635 H LYS 88 H LYS 88 5.374 -2.671 -1.306 636 HA LYS 88 HA LYS 88 8.260 -2.654 -1.876 637 HB2 LYS 88 1HB LYS 88 6.061 -3.302 -3.848 638 HB3 LYS 88 2HB LYS 88 7.764 -3.121 -4.248 639 HG2 LYS 88 1HG LYS 88 7.025 -5.097 -2.159 640 HG3 LYS 88 2HG LYS 88 6.669 -5.485 -3.844 641 HD2 LYS 88 1HD LYS 88 9.079 -4.901 -4.350 642 HD3 LYS 88 2HD LYS 88 9.344 -4.874 -2.605 643 HE2 LYS 88 1HE LYS 88 8.022 -7.253 -3.811 644 HE3 LYS 88 2HE LYS 88 9.760 -7.056 -4.031 645 HZ1 LYS 88 1HZ LYS 88 9.241 -8.376 -2.070 646 HZ2 LYS 88 2HZ LYS 88 8.355 -7.093 -1.415 647 HZ3 LYS 88 3HZ LYS 88 10.024 -6.939 -1.640 648 H ILE 89 H ILE 89 9.055 -0.789 -2.696 649 HA ILE 89 HA ILE 89 7.136 1.405 -3.077 650 HB ILE 89 HB ILE 89 10.068 1.459 -2.370 651 HG12 ILE 89 1HG1 ILE 89 8.986 2.792 -0.396 652 HG13 ILE 89 2HG1 ILE 89 7.509 1.974 -0.893 653 HG21 ILE 89 1HG2 ILE 89 8.937 4.024 -2.116 654 HG22 ILE 89 2HG2 ILE 89 10.193 3.498 -3.234 655 HG23 ILE 89 3HG2 ILE 89 8.499 3.431 -3.718 656 HD11 ILE 89 1HD1 ILE 89 8.116 0.148 0.188 657 HD12 ILE 89 2HD1 ILE 89 9.639 0.078 -0.699 658 HD13 ILE 89 3HD1 ILE 89 9.528 1.015 0.790 659 H PHE 90 H PHE 90 7.056 2.551 -4.941 660 HA PHE 90 HA PHE 90 8.991 1.858 -7.049 661 HB2 PHE 90 1HB PHE 90 6.013 2.263 -7.399 662 HB3 PHE 90 2HB PHE 90 7.166 1.972 -8.698 663 HD1 PHE 90 1HD PHE 90 5.471 0.483 -5.796 664 HD2 PHE 90 2HD PHE 90 7.986 -0.216 -9.158 665 HE1 PHE 90 1HE PHE 90 5.155 -1.941 -5.524 666 HE2 PHE 90 2HE PHE 90 7.673 -2.642 -8.892 667 HZ PHE 90 HZ PHE 90 6.256 -3.508 -7.073 668 H GLN 91 H GLN 91 9.952 3.544 -7.984 669 HA GLN 91 HA GLN 91 8.690 6.193 -7.727 670 HB2 GLN 91 1HB GLN 91 11.621 5.514 -7.436 671 HB3 GLN 91 2HB GLN 91 10.975 7.149 -7.499 672 HG2 GLN 91 1HG GLN 91 9.950 6.958 -5.422 673 HG3 GLN 91 2HG GLN 91 10.019 5.196 -5.444 674 HE21 GLN 91 1HE2 GLN 91 10.962 5.307 -3.352 675 HE22 GLN 91 2HE2 GLN 91 12.639 5.676 -3.162 676 H LYS 92 H LYS 92 8.472 7.297 -9.565 677 HA LYS 92 HA LYS 92 8.961 6.178 -12.066 678 HB2 LYS 92 1HB LYS 92 7.412 8.136 -11.385 679 HB3 LYS 92 2HB LYS 92 8.826 9.151 -11.642 680 HG2 LYS 92 1HG LYS 92 7.425 9.133 -13.612 681 HG3 LYS 92 2HG LYS 92 8.972 8.354 -13.953 682 HD2 LYS 92 1HD LYS 92 8.034 6.255 -14.101 683 HD3 LYS 92 2HD LYS 92 6.665 6.680 -13.070 684 HE2 LYS 92 1HE LYS 92 5.811 6.453 -15.268 685 HE3 LYS 92 2HE LYS 92 5.877 8.182 -14.933 686 HZ1 LYS 92 1HZ LYS 92 7.442 8.512 -16.492 687 HZ2 LYS 92 2HZ LYS 92 6.849 7.069 -17.145 688 HZ3 LYS 92 3HZ LYS 92 8.239 7.052 -16.182 689 H GLY 93 H GLY 93 10.715 6.006 -13.305 690 HA2 GLY 93 1HA GLY 93 12.694 6.810 -14.327 691 HA3 GLY 93 2HA GLY 93 12.895 7.936 -12.993 692 H GLU 94 H GLU 94 12.787 6.329 -10.801 693 HA GLU 94 HA GLU 94 15.289 4.858 -11.066 694 HB2 GLU 94 1HB GLU 94 13.712 5.552 -8.582 695 HB3 GLU 94 2HB GLU 94 15.330 4.867 -8.622 696 HG2 GLU 94 1HG GLU 94 15.840 7.055 -8.288 697 HG3 GLU 94 2HG GLU 94 15.847 7.011 -10.050 698 H SER 95 H SER 95 15.552 2.746 -10.101 699 HA SER 95 HA SER 95 13.420 0.980 -10.815 700 HB2 SER 95 1HB SER 95 14.935 -0.803 -10.273 701 HB3 SER 95 2HB SER 95 15.876 0.462 -11.064 702 HG SER 95 HG SER 95 16.835 0.947 -9.198 703 HA PRO 96 HA PRO 96 11.308 0.623 -6.979 704 HB2 PRO 96 1HB PRO 96 10.359 -1.911 -7.194 705 HB3 PRO 96 2HB PRO 96 9.709 -0.559 -8.129 706 HG2 PRO 96 1HG PRO 96 11.671 -2.663 -8.956 707 HG3 PRO 96 2HG PRO 96 10.293 -2.001 -9.856 708 HD2 PRO 96 1HD PRO 96 12.844 -1.211 -10.307 709 HD3 PRO 96 2HD PRO 96 11.457 -0.119 -10.500 710 H VAL 97 H VAL 97 11.606 -0.108 -4.907 711 HA VAL 97 HA VAL 97 13.842 -1.986 -4.498 712 HB VAL 97 HB VAL 97 13.761 -0.796 -2.125 713 HG11 VAL 97 1HG1 VAL 97 15.053 0.821 -4.261 714 HG12 VAL 97 2HG1 VAL 97 15.704 0.252 -2.723 715 HG13 VAL 97 3HG1 VAL 97 15.532 -0.865 -4.077 716 HG21 VAL 97 1HG2 VAL 97 11.862 0.626 -2.612 717 HG22 VAL 97 2HG2 VAL 97 13.305 1.614 -2.386 718 HG23 VAL 97 3HG2 VAL 97 12.695 1.304 -4.011 719 H ASP 98 H ASP 98 13.721 -3.014 -2.225 720 HA ASP 98 HA ASP 98 10.976 -4.011 -1.838 721 HB2 ASP 98 1HB ASP 98 11.949 -6.091 -1.040 722 HB3 ASP 98 2HB ASP 98 12.596 -5.705 -2.632 723 H TYR 99 H TYR 99 10.040 -3.211 -0.086 724 HA TYR 99 HA TYR 99 11.507 -1.990 2.034 725 HB2 TYR 99 1HB TYR 99 9.277 -1.199 1.371 726 HB3 TYR 99 2HB TYR 99 8.577 -2.732 1.881 727 HD1 TYR 99 2HD TYR 99 8.834 -3.375 4.356 728 HD2 TYR 99 1HD TYR 99 9.487 0.564 2.888 729 HE1 TYR 99 2HE TYR 99 8.527 -2.485 6.627 730 HE2 TYR 99 1HE TYR 99 9.184 1.466 5.156 731 HH TYR 99 HH TYR 99 8.406 -0.664 7.891 732 H ASP 100 H ASP 100 11.855 -2.686 4.115 733 HA ASP 100 HA ASP 100 10.846 -5.232 5.026 734 HB2 ASP 100 1HB ASP 100 13.270 -6.004 5.511 735 HB3 ASP 100 2HB ASP 100 12.635 -6.205 3.879 736 H GLY 101 H GLY 101 11.121 -5.558 7.261 737 HA2 GLY 101 1HA GLY 101 12.459 -4.721 9.254 738 HA3 GLY 101 2HA GLY 101 11.977 -3.126 8.697 739 H GLY 102 H GLY 102 10.680 -2.429 10.304 740 HA2 GLY 102 1HA GLY 102 8.868 -4.109 11.716 741 HA3 GLY 102 2HA GLY 102 8.914 -2.353 11.777 742 H ARG 103 H ARG 103 6.627 -4.218 11.647 743 HA ARG 103 HA ARG 103 5.442 -3.349 9.095 744 HB2 ARG 103 1HB ARG 103 5.011 -5.764 10.813 745 HB3 ARG 103 2HB ARG 103 3.708 -5.192 9.780 746 HG2 ARG 103 1HG ARG 103 5.122 -5.433 7.822 747 HG3 ARG 103 2HG ARG 103 6.469 -5.944 8.841 748 HD2 ARG 103 1HD ARG 103 4.684 -7.729 9.652 749 HD3 ARG 103 2HD ARG 103 4.006 -7.410 8.056 750 HE ARG 103 HE ARG 103 6.721 -7.859 7.709 751 HH11 ARG 103 2HH1 ARG 103 3.932 -9.610 8.837 752 HH12 ARG 103 1HH1 ARG 103 4.539 -11.155 8.341 753 HH21 ARG 103 2HH2 ARG 103 7.532 -9.887 7.051 754 HH22 ARG 103 1HH2 ARG 103 6.587 -11.311 7.326 755 H THR 104 H THR 104 5.624 -1.572 11.273 756 HA THR 104 HA THR 104 2.794 -1.354 12.075 757 HB THR 104 HB THR 104 3.556 -0.080 14.056 758 HG1 THR 104 1HG THR 104 6.176 -1.019 13.590 759 HG21 THR 104 1HG2 THR 104 4.725 -2.850 13.766 760 HG22 THR 104 2HG2 THR 104 3.100 -2.443 14.318 761 HG23 THR 104 3HG2 THR 104 4.499 -2.007 15.297 762 H ARG 105 H ARG 105 1.752 0.534 11.694 763 HA ARG 105 HA ARG 105 2.297 2.218 9.696 764 HB2 ARG 105 1HB ARG 105 0.729 3.713 10.551 765 HB3 ARG 105 2HB ARG 105 0.298 2.201 11.339 766 HG2 ARG 105 1HG ARG 105 1.749 3.000 13.280 767 HG3 ARG 105 2HG ARG 105 1.698 4.583 12.501 768 HD2 ARG 105 1HD ARG 105 -0.723 4.595 12.620 769 HD3 ARG 105 2HD ARG 105 -0.720 2.970 13.305 770 HE ARG 105 HE ARG 105 -0.165 5.440 14.682 771 HH11 ARG 105 2HH1 ARG 105 0.226 1.981 14.690 772 HH12 ARG 105 1HH1 ARG 105 0.463 1.881 16.404 773 HH21 ARG 105 2HH2 ARG 105 0.145 5.322 16.938 774 HH22 ARG 105 1HH2 ARG 105 0.415 3.782 17.682 775 H SER 106 H SER 106 3.759 2.362 12.874 776 HA SER 106 HA SER 106 4.912 4.895 12.776 777 HB2 SER 106 1HB SER 106 4.855 3.118 14.690 778 HB3 SER 106 2HB SER 106 6.384 2.581 13.997 779 HG SER 106 HG SER 106 6.067 5.311 14.454 780 H ASP 107 H ASP 107 6.451 1.787 11.938 781 HA ASP 107 HA ASP 107 8.761 2.989 10.816 782 HB2 ASP 107 1HB ASP 107 7.595 0.220 10.731 783 HB3 ASP 107 2HB ASP 107 9.006 0.632 9.761 784 H ILE 108 H ILE 108 5.973 1.376 9.286 785 HA ILE 108 HA ILE 108 6.566 1.661 6.650 786 HB ILE 108 HB ILE 108 3.857 2.164 7.887 787 HG12 ILE 108 1HG1 ILE 108 4.653 -0.415 6.611 788 HG13 ILE 108 2HG1 ILE 108 5.244 -0.073 8.233 789 HG21 ILE 108 1HG2 ILE 108 4.211 1.053 5.153 790 HG22 ILE 108 2HG2 ILE 108 2.896 2.019 5.820 791 HG23 ILE 108 3HG2 ILE 108 4.423 2.788 5.386 792 HD11 ILE 108 1HD1 ILE 108 3.245 -1.353 8.411 793 HD12 ILE 108 2HD1 ILE 108 2.886 0.293 8.935 794 HD13 ILE 108 3HD1 ILE 108 2.381 -0.253 7.336 795 H VAL 109 H VAL 109 5.406 4.175 8.827 796 HA VAL 109 HA VAL 109 5.094 6.144 6.765 797 HB VAL 109 HB VAL 109 5.165 6.368 9.773 798 HG11 VAL 109 1HG1 VAL 109 4.489 8.674 9.545 799 HG12 VAL 109 2HG1 VAL 109 6.023 8.428 8.707 800 HG13 VAL 109 3HG1 VAL 109 4.522 8.545 7.787 801 HG21 VAL 109 1HG2 VAL 109 3.186 5.494 8.043 802 HG22 VAL 109 2HG2 VAL 109 2.964 6.015 9.713 803 HG23 VAL 109 3HG2 VAL 109 2.742 7.165 8.395 804 H SER 110 H SER 110 7.504 5.530 9.302 805 HA SER 110 HA SER 110 9.172 7.669 9.003 806 HB2 SER 110 1HB SER 110 9.430 5.719 10.606 807 HB3 SER 110 2HB SER 110 10.205 4.843 9.285 808 HG SER 110 HG SER 110 11.520 6.975 9.245 809 H ARG 111 H ARG 111 9.151 4.719 7.032 810 HA ARG 111 HA ARG 111 11.337 5.384 5.396 811 HB2 ARG 111 1HB ARG 111 10.191 3.125 5.627 812 HB3 ARG 111 2HB ARG 111 8.962 3.740 4.529 813 HG2 ARG 111 1HG ARG 111 10.483 2.479 3.231 814 HG3 ARG 111 2HG ARG 111 10.798 4.179 2.877 815 HD2 ARG 111 1HD ARG 111 12.940 3.484 3.197 816 HD3 ARG 111 2HD ARG 111 12.528 3.874 4.866 817 HE ARG 111 HE ARG 111 11.959 1.152 4.153 818 HH11 ARG 111 2HH1 ARG 111 14.407 3.359 5.273 819 HH12 ARG 111 1HH1 ARG 111 15.354 2.126 6.038 820 HH21 ARG 111 2HH2 ARG 111 13.196 -0.480 5.157 821 HH22 ARG 111 1HH2 ARG 111 14.664 -0.057 5.971 822 H ALA 112 H ALA 112 7.868 5.520 4.562 823 HA ALA 112 HA ALA 112 7.832 6.683 2.168 824 HB1 ALA 112 1HB ALA 112 6.053 8.233 3.812 825 HB2 ALA 112 2HB ALA 112 5.679 6.984 2.624 826 HB3 ALA 112 3HB ALA 112 6.023 6.537 4.295 827 H LEU 113 H LEU 113 8.637 8.376 5.160 828 HA LEU 113 HA LEU 113 8.830 10.960 4.006 829 HB2 LEU 113 1HB LEU 113 9.802 9.715 6.547 830 HB3 LEU 113 2HB LEU 113 10.310 11.343 6.102 831 HG LEU 113 HG LEU 113 7.425 10.520 6.392 832 HD11 LEU 113 1HD1 LEU 113 9.395 10.953 8.424 833 HD12 LEU 113 2HD1 LEU 113 7.687 10.550 8.592 834 HD13 LEU 113 3HD1 LEU 113 8.187 12.237 8.480 835 HD21 LEU 113 1HD2 LEU 113 8.861 12.992 5.681 836 HD22 LEU 113 2HD2 LEU 113 7.544 13.177 6.840 837 HD23 LEU 113 3HD2 LEU 113 7.233 12.459 5.259 838 H ASP 114 H ASP 114 11.272 8.512 4.833 839 HA ASP 114 HA ASP 114 13.574 9.837 4.149 840 HB2 ASP 114 1HB ASP 114 12.747 6.973 4.060 841 HB3 ASP 114 2HB ASP 114 14.263 7.418 3.282 842 H LEU 115 H LEU 115 11.188 8.401 2.016 843 HA LEU 115 HA LEU 115 12.799 8.910 -0.345 844 HB2 LEU 115 1HB LEU 115 9.924 8.074 -0.373 845 HB3 LEU 115 2HB LEU 115 11.186 7.743 -1.558 846 HG LEU 115 HG LEU 115 11.172 6.535 1.200 847 HD11 LEU 115 1HD1 LEU 115 10.409 4.466 -0.128 848 HD12 LEU 115 2HD1 LEU 115 9.840 5.630 -1.325 849 HD13 LEU 115 3HD1 LEU 115 9.203 5.673 0.319 850 HD21 LEU 115 1HD2 LEU 115 12.430 4.884 -0.660 851 HD22 LEU 115 2HD2 LEU 115 13.200 5.871 0.582 852 HD23 LEU 115 3HD2 LEU 115 12.980 6.514 -1.046 853 H PHE 116 H PHE 116 9.766 10.072 1.084 854 HA PHE 116 HA PHE 116 8.864 11.813 -0.800 855 HB2 PHE 116 1HB PHE 116 7.538 11.678 1.111 856 HB3 PHE 116 2HB PHE 116 8.895 11.966 2.195 857 HD1 PHE 116 2HD PHE 116 6.591 13.572 -0.200 858 HD2 PHE 116 1HD PHE 116 9.471 14.145 2.882 859 HE1 PHE 116 2HE PHE 116 5.978 15.952 -0.074 860 HE2 PHE 116 1HE PHE 116 8.862 16.525 3.013 861 HZ PHE 116 HZ PHE 116 7.115 17.432 1.533 862 H SER 117 H SER 117 11.221 12.658 1.739 863 HA SER 117 HA SER 117 11.807 15.215 1.280 864 HB2 SER 117 1HB SER 117 13.873 13.017 1.541 865 HB3 SER 117 2HB SER 117 14.190 14.734 1.789 866 HG SER 117 HG SER 117 13.159 14.674 3.651 867 H ASP 118 H ASP 118 12.976 12.562 -0.766 868 HA ASP 118 HA ASP 118 14.185 14.411 -2.640 869 HB2 ASP 118 1HB ASP 118 15.135 12.130 -2.058 870 HB3 ASP 118 2HB ASP 118 13.815 11.436 -2.995 871 H ASN 119 H ASN 119 11.865 11.742 -3.112 872 HA ASN 119 HA ASN 119 10.896 12.217 -5.548 873 HB2 ASN 119 1HB ASN 119 9.350 11.544 -3.049 874 HB3 ASN 119 2HB ASN 119 8.580 11.593 -4.633 875 HD21 ASN 119 1HD2 ASN 119 10.863 9.947 -2.600 876 HD22 ASN 119 2HD2 ASN 119 11.009 8.525 -3.570 877 H ALA 120 H ALA 120 9.073 13.626 -2.836 878 HA ALA 120 HA ALA 120 7.765 15.549 -4.407 879 HB1 ALA 120 1HB ALA 120 7.836 14.785 -1.649 880 HB2 ALA 120 2HB ALA 120 7.881 16.543 -1.781 881 HB3 ALA 120 3HB ALA 120 6.572 15.635 -2.538 882 HA PRO 121 HA PRO 121 10.514 18.945 -4.798 883 HB2 PRO 121 1HB PRO 121 8.964 21.092 -4.196 884 HB3 PRO 121 2HB PRO 121 8.778 20.160 -5.686 885 HG2 PRO 121 1HG PRO 121 7.200 20.008 -3.146 886 HG3 PRO 121 2HG PRO 121 6.625 19.982 -4.824 887 HD2 PRO 121 1HD PRO 121 6.882 17.734 -3.337 888 HD3 PRO 121 2HD PRO 121 7.130 17.749 -5.094 889 HA PRO 122 HA PRO 122 11.976 19.368 -0.556 890 HB2 PRO 122 1HB PRO 122 14.484 20.140 -1.254 891 HB3 PRO 122 2HB PRO 122 13.957 18.453 -1.277 892 HG2 PRO 122 1HG PRO 122 14.182 20.397 -3.542 893 HG3 PRO 122 2HG PRO 122 14.655 18.689 -3.482 894 HD2 PRO 122 1HD PRO 122 12.351 19.524 -4.634 895 HD3 PRO 122 2HD PRO 122 12.498 17.951 -3.825 896 HA PRO 123 HA PRO 123 11.528 23.700 0.101 897 HB2 PRO 123 1HB PRO 123 12.961 23.992 2.389 898 HB3 PRO 123 2HB PRO 123 11.377 23.209 2.340 899 HG2 PRO 123 1HG PRO 123 14.102 21.970 2.386 900 HG3 PRO 123 2HG PRO 123 12.645 21.502 3.282 901 HD2 PRO 123 1HD PRO 123 13.458 20.210 1.045 902 HD3 PRO 123 2HD PRO 123 11.745 20.380 1.480 903 H GLU 124 H GLU 124 12.774 25.717 0.389 904 HA GLU 124 HA GLU 124 14.740 26.088 -1.477 905 HB2 GLU 124 1HB GLU 124 15.417 28.084 0.101 906 HB3 GLU 124 2HB GLU 124 13.868 28.079 -0.731 907 HG2 GLU 124 1HG GLU 124 12.685 27.584 1.198 908 HG3 GLU 124 2HG GLU 124 14.108 26.958 2.028 909 H LEU 125 H LEU 125 16.344 24.539 -1.470 910 HA LEU 125 HA LEU 125 18.339 24.829 0.664 911 HB2 LEU 125 1HB LEU 125 16.802 22.685 0.677 912 HB3 LEU 125 2HB LEU 125 17.928 22.152 -0.569 913 HG LEU 125 HG LEU 125 18.408 21.372 1.783 914 HD11 LEU 125 1HD1 LEU 125 20.143 22.300 -0.263 915 HD12 LEU 125 2HD1 LEU 125 20.413 21.016 0.914 916 HD13 LEU 125 3HD1 LEU 125 20.876 22.674 1.296 917 HD21 LEU 125 1HD2 LEU 125 19.122 22.809 3.426 918 HD22 LEU 125 2HD2 LEU 125 17.886 23.790 2.638 919 HD23 LEU 125 3HD2 LEU 125 19.592 24.063 2.279 920 H LEU 126 H LEU 126 20.446 24.805 0.005 921 HA LEU 126 HA LEU 126 21.115 25.562 -2.561 922 HB2 LEU 126 1HB LEU 126 23.400 25.173 -1.972 923 HB3 LEU 126 2HB LEU 126 22.550 25.805 -0.564 924 HG LEU 126 HG LEU 126 22.356 23.276 0.085 925 HD11 LEU 126 1HD1 LEU 126 24.634 23.306 -1.880 926 HD12 LEU 126 2HD1 LEU 126 23.213 22.261 -1.876 927 HD13 LEU 126 3HD1 LEU 126 24.448 22.075 -0.630 928 HD21 LEU 126 1HD2 LEU 126 23.633 25.134 1.225 929 HD22 LEU 126 2HD2 LEU 126 25.044 24.610 0.305 930 HD23 LEU 126 3HD2 LEU 126 24.275 23.507 1.447 931 H GLU 127 H GLU 127 22.097 24.507 -4.322 932 HA GLU 127 HA GLU 127 21.121 21.827 -4.756 933 HB2 GLU 127 1HB GLU 127 22.479 23.888 -6.457 934 HB3 GLU 127 2HB GLU 127 22.379 22.223 -7.010 935 HG2 GLU 127 1HG GLU 127 20.077 24.038 -6.335 936 HG3 GLU 127 2HG GLU 127 20.568 23.497 -7.940 937 H SER 128 H SER 128 22.209 20.085 -4.160 938 HA SER 128 HA SER 128 24.846 20.084 -3.220 939 HB2 SER 128 1HB SER 128 23.202 18.354 -2.617 940 HB3 SER 128 2HB SER 128 23.229 17.749 -4.273 941 HG SER 128 HG SER 128 25.382 17.170 -3.988 942 H GLY 129 H GLY 129 23.512 19.287 -6.395 943 HA2 GLY 129 1HA GLY 129 24.836 19.836 -8.358 944 HA3 GLY 129 2HA GLY 129 26.265 19.354 -7.456 945 HA PRO 130 HA PRO 130 24.697 15.846 -10.172 946 HB2 PRO 130 1HB PRO 130 26.915 15.646 -11.724 947 HB3 PRO 130 2HB PRO 130 25.556 16.703 -12.123 948 HG2 PRO 130 1HG PRO 130 28.168 17.383 -10.828 949 HG3 PRO 130 2HG PRO 130 27.283 18.259 -12.090 950 HD2 PRO 130 1HD PRO 130 27.221 19.001 -9.487 951 HD3 PRO 130 2HD PRO 130 25.842 19.236 -10.580 952 H SER 131 H SER 131 27.287 16.560 -8.090 953 HA SER 131 HA SER 131 28.469 15.246 -6.645 954 HB2 SER 131 1HB SER 131 26.308 13.834 -6.738 955 HB3 SER 131 2HB SER 131 27.206 12.785 -7.836 956 HG SER 131 HG SER 131 28.855 12.815 -6.069 957 H SER 132 H SER 132 29.526 16.034 -9.130 958 HA SER 132 HA SER 132 30.871 13.820 -10.365 959 HB2 SER 132 1HB SER 132 30.422 15.673 -11.785 960 HB3 SER 132 2HB SER 132 31.127 16.815 -10.641 961 HG SER 132 HG SER 132 32.468 16.209 -12.497 962 H GLY 133 H GLY 133 31.844 16.471 -8.207 963 HA2 GLY 133 1HA GLY 133 33.619 16.667 -6.764 964 HA3 GLY 133 2HA GLY 133 33.712 14.913 -6.792 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -15.968 7.846 -3.321 2 HA2 GLY 1 1HA GLY 1 -14.218 8.767 -5.335 3 HA3 GLY 1 2HA GLY 1 -13.991 8.977 -3.605 4 H SER 2 H SER 2 -12.144 8.177 -2.890 5 HA SER 2 HA SER 2 -11.101 5.722 -4.142 6 HB2 SER 2 1HB SER 2 -9.559 8.153 -3.210 7 HB3 SER 2 2HB SER 2 -8.807 6.623 -3.659 8 HG SER 2 HG SER 2 -9.013 8.332 -5.337 9 H SER 3 H SER 3 -11.636 4.226 -2.648 10 HA SER 3 HA SER 3 -10.177 4.144 -0.204 11 HB2 SER 3 1HB SER 3 -13.060 4.943 -0.145 12 HB3 SER 3 2HB SER 3 -12.439 3.907 1.140 13 HG SER 3 HG SER 3 -12.323 6.329 1.367 14 H GLY 4 H GLY 4 -10.203 2.101 0.753 15 HA2 GLY 4 1HA GLY 4 -11.704 0.055 -0.764 16 HA3 GLY 4 2HA GLY 4 -10.062 -0.190 -0.186 17 H SER 5 H SER 5 -12.748 1.299 1.563 18 HA SER 5 HA SER 5 -13.778 0.760 3.518 19 HB2 SER 5 1HB SER 5 -13.168 -1.978 2.428 20 HB3 SER 5 2HB SER 5 -13.941 -1.778 4.001 21 HG SER 5 HG SER 5 -15.709 -0.995 3.056 22 H SER 6 H SER 6 -11.069 1.525 3.624 23 HA SER 6 HA SER 6 -10.415 0.812 6.267 24 HB2 SER 6 1HB SER 6 -9.055 -0.713 4.082 25 HB3 SER 6 2HB SER 6 -8.122 -0.260 5.509 26 HG SER 6 HG SER 6 -10.070 -1.218 6.656 27 H GLY 7 H GLY 7 -9.623 2.677 6.966 28 HA2 GLY 7 1HA GLY 7 -8.715 4.816 6.827 29 HA3 GLY 7 2HA GLY 7 -7.282 3.862 6.469 30 H ASP 8 H ASP 8 -6.343 5.322 5.082 31 HA ASP 8 HA ASP 8 -7.866 6.153 2.724 32 HB2 ASP 8 1HB ASP 8 -6.643 7.894 3.972 33 HB3 ASP 8 2HB ASP 8 -5.133 7.036 3.678 34 H VAL 9 H VAL 9 -6.855 3.406 3.151 35 HA VAL 9 HA VAL 9 -4.606 2.987 1.455 36 HB VAL 9 HB VAL 9 -6.740 1.019 2.296 37 HG11 VAL 9 1HG1 VAL 9 -4.130 -0.093 1.830 38 HG12 VAL 9 2HG1 VAL 9 -5.679 -0.531 1.108 39 HG13 VAL 9 3HG1 VAL 9 -4.704 0.754 0.394 40 HG21 VAL 9 1HG2 VAL 9 -5.719 1.906 4.255 41 HG22 VAL 9 2HG2 VAL 9 -5.000 0.322 3.968 42 HG23 VAL 9 3HG2 VAL 9 -4.108 1.784 3.547 43 H ILE 10 H ILE 10 -4.492 2.809 -0.691 44 HA ILE 10 HA ILE 10 -6.974 2.989 -2.226 45 HB ILE 10 HB ILE 10 -4.129 3.272 -3.198 46 HG12 ILE 10 1HG1 ILE 10 -6.076 5.530 -2.801 47 HG13 ILE 10 2HG1 ILE 10 -5.049 4.982 -1.480 48 HG21 ILE 10 1HG2 ILE 10 -6.271 2.712 -4.709 49 HG22 ILE 10 2HG2 ILE 10 -6.403 4.469 -4.651 50 HG23 ILE 10 3HG2 ILE 10 -4.932 3.715 -5.266 51 HD11 ILE 10 1HD1 ILE 10 -3.318 5.301 -3.624 52 HD12 ILE 10 2HD1 ILE 10 -4.420 6.676 -3.720 53 HD13 ILE 10 3HD1 ILE 10 -3.510 6.376 -2.239 54 H GLU 11 H GLU 11 -7.684 1.436 -3.584 55 HA GLU 11 HA GLU 11 -6.216 -1.100 -3.575 56 HB2 GLU 11 1HB GLU 11 -8.603 -1.042 -2.820 57 HB3 GLU 11 2HB GLU 11 -9.059 -0.578 -4.453 58 HG2 GLU 11 1HG GLU 11 -8.414 -2.654 -5.340 59 HG3 GLU 11 2HG GLU 11 -7.525 -3.090 -3.881 60 H LEU 12 H LEU 12 -5.243 -1.858 -5.340 61 HA LEU 12 HA LEU 12 -5.893 -0.612 -7.931 62 HB2 LEU 12 1HB LEU 12 -3.202 -1.640 -7.047 63 HB3 LEU 12 2HB LEU 12 -3.575 -0.849 -8.577 64 HG LEU 12 HG LEU 12 -3.727 0.475 -5.870 65 HD11 LEU 12 1HD1 LEU 12 -1.433 -0.040 -6.374 66 HD12 LEU 12 2HD1 LEU 12 -1.704 1.684 -6.625 67 HD13 LEU 12 3HD1 LEU 12 -1.609 0.596 -8.010 68 HD21 LEU 12 1HD2 LEU 12 -4.858 1.173 -8.349 69 HD22 LEU 12 2HD2 LEU 12 -3.475 2.240 -8.109 70 HD23 LEU 12 3HD2 LEU 12 -4.749 2.159 -6.891 71 H THR 13 H THR 13 -5.332 -1.982 -9.823 72 HA THR 13 HA THR 13 -5.629 -4.852 -9.221 73 HB THR 13 HB THR 13 -6.988 -5.009 -11.346 74 HG1 THR 13 1HG THR 13 -8.072 -2.805 -11.688 75 HG21 THR 13 1HG2 THR 13 -7.885 -4.912 -8.942 76 HG22 THR 13 2HG2 THR 13 -9.020 -4.583 -10.252 77 HG23 THR 13 3HG2 THR 13 -8.339 -3.250 -9.319 78 H ASP 14 H ASP 14 -5.289 -6.102 -11.443 79 HA ASP 14 HA ASP 14 -2.580 -5.870 -12.087 80 HB2 ASP 14 1HB ASP 14 -4.773 -7.206 -13.688 81 HB3 ASP 14 2HB ASP 14 -3.045 -7.489 -13.878 82 H ASP 15 H ASP 15 -5.331 -4.221 -13.329 83 HA ASP 15 HA ASP 15 -3.721 -3.140 -15.546 84 HB2 ASP 15 1HB ASP 15 -6.706 -3.430 -15.213 85 HB3 ASP 15 2HB ASP 15 -5.987 -2.408 -16.455 86 H SER 16 H SER 16 -5.406 -2.399 -12.630 87 HA SER 16 HA SER 16 -5.211 0.482 -13.134 88 HB2 SER 16 1HB SER 16 -7.304 -0.789 -12.144 89 HB3 SER 16 2HB SER 16 -6.407 -0.643 -10.632 90 HG SER 16 HG SER 16 -7.870 1.201 -11.853 91 H PHE 17 H PHE 17 -3.017 -1.534 -12.380 92 HA PHE 17 HA PHE 17 -2.088 -0.301 -9.888 93 HB2 PHE 17 1HB PHE 17 -1.892 -2.619 -9.676 94 HB3 PHE 17 2HB PHE 17 -1.377 -2.826 -11.347 95 HD1 PHE 17 2HD PHE 17 0.915 -1.635 -11.926 96 HD2 PHE 17 1HD PHE 17 -0.315 -2.809 -8.024 97 HE1 PHE 17 2HE PHE 17 3.265 -1.666 -11.199 98 HE2 PHE 17 1HE PHE 17 2.033 -2.841 -7.290 99 HZ PHE 17 HZ PHE 17 3.827 -2.270 -8.878 100 H ASP 18 H ASP 18 -1.359 -0.590 -13.286 101 HA ASP 18 HA ASP 18 1.183 0.805 -12.979 102 HB2 ASP 18 1HB ASP 18 0.015 0.146 -15.650 103 HB3 ASP 18 2HB ASP 18 1.699 0.140 -15.131 104 H LYS 19 H LYS 19 -1.866 1.241 -14.771 105 HA LYS 19 HA LYS 19 -1.306 3.837 -15.693 106 HB2 LYS 19 1HB LYS 19 -3.446 3.844 -16.534 107 HB3 LYS 19 2HB LYS 19 -3.201 2.115 -16.322 108 HG2 LYS 19 1HG LYS 19 -4.400 2.199 -14.198 109 HG3 LYS 19 2HG LYS 19 -4.640 3.936 -14.402 110 HD2 LYS 19 1HD LYS 19 -5.672 3.159 -16.710 111 HD3 LYS 19 2HD LYS 19 -5.922 1.655 -15.820 112 HE2 LYS 19 1HE LYS 19 -7.897 2.937 -15.554 113 HE3 LYS 19 2HE LYS 19 -7.025 3.032 -14.025 114 HZ1 LYS 19 1HZ LYS 19 -6.066 5.161 -15.349 115 HZ2 LYS 19 2HZ LYS 19 -7.354 5.218 -14.255 116 HZ3 LYS 19 3HZ LYS 19 -7.660 5.119 -15.916 117 H ASN 20 H ASN 20 -1.841 2.764 -12.575 118 HA ASN 20 HA ASN 20 -2.899 5.360 -11.691 119 HB2 ASN 20 1HB ASN 20 -2.957 2.605 -10.517 120 HB3 ASN 20 2HB ASN 20 -3.074 4.001 -9.449 121 HD21 ASN 20 1HD2 ASN 20 -4.534 2.430 -12.236 122 HD22 ASN 20 2HD2 ASN 20 -6.123 3.063 -11.991 123 H VAL 21 H VAL 21 -0.142 3.267 -11.581 124 HA VAL 21 HA VAL 21 1.163 4.969 -9.578 125 HB VAL 21 HB VAL 21 1.797 2.225 -10.632 126 HG11 VAL 21 1HG1 VAL 21 3.749 2.580 -8.836 127 HG12 VAL 21 2HG1 VAL 21 3.961 2.894 -10.560 128 HG13 VAL 21 3HG1 VAL 21 3.627 4.227 -9.454 129 HG21 VAL 21 1HG2 VAL 21 1.997 2.378 -7.841 130 HG22 VAL 21 2HG2 VAL 21 0.564 3.310 -8.274 131 HG23 VAL 21 3HG2 VAL 21 0.710 1.629 -8.786 132 H LEU 22 H LEU 22 1.974 3.399 -12.679 133 HA LEU 22 HA LEU 22 4.264 4.967 -13.169 134 HB2 LEU 22 1HB LEU 22 2.600 3.771 -15.352 135 HB3 LEU 22 2HB LEU 22 4.350 3.963 -15.272 136 HG LEU 22 HG LEU 22 2.652 1.932 -13.836 137 HD11 LEU 22 1HD1 LEU 22 3.844 0.325 -15.104 138 HD12 LEU 22 2HD1 LEU 22 4.984 1.534 -15.694 139 HD13 LEU 22 3HD1 LEU 22 3.306 1.566 -16.237 140 HD21 LEU 22 1HD2 LEU 22 4.628 3.058 -12.537 141 HD22 LEU 22 2HD2 LEU 22 5.620 2.032 -13.574 142 HD23 LEU 22 3HD2 LEU 22 4.417 1.307 -12.507 143 H ASP 23 H ASP 23 0.876 5.469 -13.809 144 HA ASP 23 HA ASP 23 1.264 7.641 -15.643 145 HB2 ASP 23 1HB ASP 23 -0.812 6.045 -15.280 146 HB3 ASP 23 2HB ASP 23 -1.286 7.288 -14.126 147 H SER 24 H SER 24 2.108 7.482 -12.573 148 HA SER 24 HA SER 24 1.518 10.320 -12.095 149 HB2 SER 24 1HB SER 24 0.011 8.820 -10.727 150 HB3 SER 24 2HB SER 24 1.459 8.236 -9.905 151 HG SER 24 HG SER 24 0.073 10.310 -9.242 152 H GLU 25 H GLU 25 3.178 11.501 -11.273 153 HA GLU 25 HA GLU 25 5.777 10.203 -11.194 154 HB2 GLU 25 1HB GLU 25 4.967 13.110 -11.056 155 HB3 GLU 25 2HB GLU 25 6.632 12.549 -11.004 156 HG2 GLU 25 1HG GLU 25 6.451 13.034 -13.215 157 HG3 GLU 25 2HG GLU 25 5.950 11.344 -13.237 158 H ASP 26 H ASP 26 3.755 9.835 -9.041 159 HA ASP 26 HA ASP 26 5.309 10.910 -6.780 160 HB2 ASP 26 1HB ASP 26 2.456 9.943 -6.633 161 HB3 ASP 26 2HB ASP 26 3.336 10.909 -5.452 162 H VAL 27 H VAL 27 5.503 9.528 -4.891 163 HA VAL 27 HA VAL 27 6.259 6.872 -5.601 164 HB VAL 27 HB VAL 27 6.043 8.185 -2.889 165 HG11 VAL 27 1HG1 VAL 27 5.892 5.684 -2.859 166 HG12 VAL 27 2HG1 VAL 27 7.499 5.642 -3.587 167 HG13 VAL 27 3HG1 VAL 27 7.273 6.352 -1.989 168 HG21 VAL 27 1HG2 VAL 27 8.362 7.739 -4.761 169 HG22 VAL 27 2HG2 VAL 27 7.687 9.283 -4.239 170 HG23 VAL 27 3HG2 VAL 27 8.533 8.254 -3.083 171 H TRP 28 H TRP 28 5.130 5.039 -5.503 172 HA TRP 28 HA TRP 28 2.542 5.079 -4.093 173 HB2 TRP 28 1HB TRP 28 3.318 3.954 -6.758 174 HB3 TRP 28 2HB TRP 28 2.020 3.191 -5.844 175 HD1 TRP 28 HD TRP 28 2.891 6.491 -7.607 176 HE1 TRP 28 1HE TRP 28 0.704 7.761 -8.081 177 HE3 TRP 28 3HE TRP 28 -0.370 3.456 -5.099 178 HZ2 TRP 28 2HZ TRP 28 -2.041 7.510 -7.473 179 HZ3 TRP 28 3HZ TRP 28 -2.760 4.042 -5.093 180 HH2 TRP 28 HH TRP 28 -3.576 6.028 -6.256 181 H MET 29 H MET 29 2.695 3.913 -2.294 182 HA MET 29 HA MET 29 4.576 1.718 -2.096 183 HB2 MET 29 1HB MET 29 2.925 3.301 -0.211 184 HB3 MET 29 2HB MET 29 3.269 1.641 0.257 185 HG2 MET 29 1HG MET 29 5.504 3.383 -0.655 186 HG3 MET 29 2HG MET 29 4.849 3.594 0.967 187 HE1 MET 29 1HE MET 29 6.615 1.240 3.006 188 HE2 MET 29 2HE MET 29 7.360 2.661 2.275 189 HE3 MET 29 3HE MET 29 5.666 2.706 2.764 190 H VAL 30 H VAL 30 4.030 -0.212 -2.859 191 HA VAL 30 HA VAL 30 1.213 -1.033 -2.806 192 HB VAL 30 HB VAL 30 3.537 -2.272 -4.288 193 HG11 VAL 30 1HG1 VAL 30 2.203 -4.046 -4.467 194 HG12 VAL 30 2HG1 VAL 30 0.846 -3.185 -3.739 195 HG13 VAL 30 3HG1 VAL 30 1.150 -3.050 -5.471 196 HG21 VAL 30 1HG2 VAL 30 2.848 0.014 -5.048 197 HG22 VAL 30 2HG2 VAL 30 2.678 -1.250 -6.267 198 HG23 VAL 30 3HG2 VAL 30 1.256 -0.654 -5.411 199 H GLU 31 H GLU 31 0.655 -2.120 -1.036 200 HA GLU 31 HA GLU 31 2.593 -4.002 0.133 201 HB2 GLU 31 1HB GLU 31 2.032 -2.458 1.806 202 HB3 GLU 31 2HB GLU 31 0.343 -2.407 1.322 203 HG2 GLU 31 1HG GLU 31 0.505 -3.576 3.392 204 HG3 GLU 31 2HG GLU 31 0.091 -4.734 2.130 205 H PHE 32 H PHE 32 2.239 -5.951 -0.741 206 HA PHE 32 HA PHE 32 -0.356 -6.857 -1.536 207 HB2 PHE 32 1HB PHE 32 2.212 -8.426 -1.222 208 HB3 PHE 32 2HB PHE 32 0.771 -8.962 -2.078 209 HD1 PHE 32 2HD PHE 32 3.499 -6.470 -2.104 210 HD2 PHE 32 1HD PHE 32 0.385 -8.351 -4.314 211 HE1 PHE 32 2HE PHE 32 4.353 -5.447 -4.172 212 HE2 PHE 32 1HE PHE 32 1.235 -7.333 -6.386 213 HZ PHE 32 HZ PHE 32 3.221 -5.877 -6.317 214 H TYR 33 H TYR 33 -1.853 -7.804 -0.328 215 HA TYR 33 HA TYR 33 -1.037 -9.244 2.096 216 HB2 TYR 33 1HB TYR 33 -2.568 -8.147 3.481 217 HB3 TYR 33 2HB TYR 33 -1.895 -6.839 2.514 218 HD1 TYR 33 1HD TYR 33 -4.775 -9.212 2.570 219 HD2 TYR 33 2HD TYR 33 -3.333 -5.373 1.436 220 HE1 TYR 33 1HE TYR 33 -7.044 -8.574 1.866 221 HE2 TYR 33 2HE TYR 33 -5.598 -4.724 0.731 222 HH TYR 33 HH TYR 33 -7.934 -6.676 0.027 223 H ALA 34 H ALA 34 -2.766 -10.667 2.940 224 HA ALA 34 HA ALA 34 -4.541 -11.612 0.784 225 HB1 ALA 34 1HB ALA 34 -3.059 -13.346 0.825 226 HB2 ALA 34 2HB ALA 34 -2.664 -13.115 2.529 227 HB3 ALA 34 3HB ALA 34 -4.182 -13.889 2.073 228 HA PRO 35 HA PRO 35 -7.811 -11.039 3.690 229 HB2 PRO 35 1HB PRO 35 -9.689 -12.573 2.469 230 HB3 PRO 35 2HB PRO 35 -9.207 -10.983 1.866 231 HG2 PRO 35 1HG PRO 35 -8.339 -13.698 0.953 232 HG3 PRO 35 2HG PRO 35 -8.775 -12.279 -0.016 233 HD2 PRO 35 1HD PRO 35 -6.204 -12.984 0.460 234 HD3 PRO 35 2HD PRO 35 -6.711 -11.293 0.269 235 H TRP 36 H TRP 36 -6.361 -14.068 2.988 236 HA TRP 36 HA TRP 36 -7.768 -15.325 5.248 237 HB2 TRP 36 1HB TRP 36 -6.680 -17.456 4.183 238 HB3 TRP 36 2HB TRP 36 -8.134 -16.764 3.469 239 HD1 TRP 36 HD TRP 36 -8.015 -16.439 0.938 240 HE1 TRP 36 1HE TRP 36 -6.140 -16.229 -0.813 241 HE3 TRP 36 3HE TRP 36 -3.973 -16.491 4.068 242 HZ2 TRP 36 2HZ TRP 36 -3.320 -16.101 -0.860 243 HZ3 TRP 36 3HZ TRP 36 -1.722 -16.321 3.090 244 HH2 TRP 36 HH TRP 36 -1.404 -16.131 0.676 245 H CYS 37 H CYS 37 -5.129 -13.603 4.791 246 HA CYS 37 HA CYS 37 -3.329 -15.350 6.318 247 HB2 CYS 37 1HB CYS 37 -2.430 -14.365 4.237 248 HB3 CYS 37 2HB CYS 37 -2.725 -12.755 4.883 249 HG CYS 37 HG CYS 37 -0.409 -15.032 5.926 250 H GLY 38 H GLY 38 -2.974 -14.993 8.412 251 HA2 GLY 38 1HA GLY 38 -4.424 -13.116 9.898 252 HA3 GLY 38 2HA GLY 38 -3.027 -14.007 10.484 253 H HIS 39 H HIS 39 -0.921 -13.105 9.214 254 HA HIS 39 HA HIS 39 -0.115 -10.824 10.389 255 HB2 HIS 39 1HB HIS 39 0.625 -11.489 7.535 256 HB3 HIS 39 2HB HIS 39 1.591 -10.593 8.704 257 HD1 HIS 39 1HD HIS 39 1.446 -13.786 7.228 258 HD2 HIS 39 2HD HIS 39 2.085 -12.438 11.105 259 HE1 HIS 39 1HE HIS 39 2.594 -15.681 8.418 260 HE2 HIS 39 2HE HIS 39 2.893 -14.874 10.785 261 H CYS 40 H CYS 40 -1.915 -11.009 7.350 262 HA CYS 40 HA CYS 40 -1.850 -8.237 6.785 263 HB2 CYS 40 1HB CYS 40 -2.389 -9.514 4.926 264 HB3 CYS 40 2HB CYS 40 -3.482 -10.555 5.829 265 HG CYS 40 HG CYS 40 -4.291 -7.292 5.286 266 H LYS 41 H LYS 41 -4.406 -10.290 8.182 267 HA LYS 41 HA LYS 41 -6.365 -8.450 8.637 268 HB2 LYS 41 1HB LYS 41 -5.515 -10.596 10.590 269 HB3 LYS 41 2HB LYS 41 -7.095 -9.826 10.520 270 HG2 LYS 41 1HG LYS 41 -6.092 -11.188 8.079 271 HG3 LYS 41 2HG LYS 41 -6.649 -12.181 9.429 272 HD2 LYS 41 1HD LYS 41 -8.316 -9.917 8.386 273 HD3 LYS 41 2HD LYS 41 -8.345 -11.499 7.605 274 HE2 LYS 41 1HE LYS 41 -8.786 -11.174 10.558 275 HE3 LYS 41 2HE LYS 41 -10.106 -11.025 9.399 276 HZ1 LYS 41 1HZ LYS 41 -9.975 -13.263 10.265 277 HZ2 LYS 41 2HZ LYS 41 -8.367 -13.405 9.760 278 HZ3 LYS 41 3HZ LYS 41 -9.604 -13.265 8.615 279 H ASN 42 H ASN 42 -3.527 -9.050 10.677 280 HA ASN 42 HA ASN 42 -4.248 -7.041 12.591 281 HB2 ASN 42 1HB ASN 42 -2.405 -7.725 13.790 282 HB3 ASN 42 2HB ASN 42 -2.693 -9.169 12.824 283 HD21 ASN 42 1HD2 ASN 42 -0.918 -10.001 12.027 284 HD22 ASN 42 2HD2 ASN 42 0.484 -9.129 11.518 285 H LEU 43 H LEU 43 -2.361 -7.162 9.668 286 HA LEU 43 HA LEU 43 -1.053 -4.637 10.111 287 HB2 LEU 43 1HB LEU 43 0.086 -6.264 8.786 288 HB3 LEU 43 2HB LEU 43 -1.295 -6.427 7.703 289 HG LEU 43 HG LEU 43 -0.863 -3.974 7.092 290 HD11 LEU 43 1HD1 LEU 43 1.827 -4.641 8.277 291 HD12 LEU 43 2HD1 LEU 43 0.659 -3.521 8.979 292 HD13 LEU 43 3HD1 LEU 43 1.389 -3.168 7.412 293 HD21 LEU 43 1HD2 LEU 43 0.690 -4.601 5.381 294 HD22 LEU 43 2HD2 LEU 43 -0.397 -5.961 5.663 295 HD23 LEU 43 3HD2 LEU 43 1.240 -5.990 6.319 296 H GLU 44 H GLU 44 -4.082 -5.670 8.905 297 HA GLU 44 HA GLU 44 -4.836 -3.918 6.985 298 HB2 GLU 44 1HB GLU 44 -6.581 -5.277 7.547 299 HB3 GLU 44 2HB GLU 44 -6.257 -5.161 9.271 300 HG2 GLU 44 1HG GLU 44 -7.444 -3.190 9.497 301 HG3 GLU 44 2HG GLU 44 -7.325 -2.804 7.782 302 HA PRO 45 HA PRO 45 -5.794 -0.436 10.197 303 HB2 PRO 45 1HB PRO 45 -4.883 -0.795 12.729 304 HB3 PRO 45 2HB PRO 45 -6.479 -1.338 12.196 305 HG2 PRO 45 1HG PRO 45 -3.948 -2.908 12.504 306 HG3 PRO 45 2HG PRO 45 -5.602 -3.350 12.967 307 HD2 PRO 45 1HD PRO 45 -4.428 -4.266 10.705 308 HD3 PRO 45 2HD PRO 45 -6.173 -3.963 10.820 309 H GLU 46 H GLU 46 -2.778 -2.155 10.996 310 HA GLU 46 HA GLU 46 -1.185 0.049 11.560 311 HB2 GLU 46 1HB GLU 46 -0.515 -2.648 10.395 312 HB3 GLU 46 2HB GLU 46 0.722 -1.456 10.767 313 HG2 GLU 46 1HG GLU 46 0.078 -3.318 12.487 314 HG3 GLU 46 2HG GLU 46 0.471 -1.684 13.019 315 H TRP 47 H TRP 47 -2.197 -1.273 8.490 316 HA TRP 47 HA TRP 47 -0.376 0.415 6.987 317 HB2 TRP 47 1HB TRP 47 -1.022 -1.925 6.276 318 HB3 TRP 47 2HB TRP 47 -2.624 -1.292 5.909 319 HD1 TRP 47 HD TRP 47 -2.955 -0.318 3.550 320 HE1 TRP 47 1HE TRP 47 -1.404 0.274 1.583 321 HE3 TRP 47 3HE TRP 47 1.562 -1.003 5.844 322 HZ2 TRP 47 2HZ TRP 47 1.367 0.429 1.072 323 HZ3 TRP 47 3HZ TRP 47 3.615 -0.612 4.546 324 HH2 TRP 47 HH TRP 47 3.518 0.088 2.209 325 H ALA 48 H ALA 48 -3.751 0.325 7.909 326 HA ALA 48 HA ALA 48 -4.721 2.276 6.125 327 HB1 ALA 48 1HB ALA 48 -5.665 1.049 8.649 328 HB2 ALA 48 2HB ALA 48 -6.401 2.580 8.173 329 HB3 ALA 48 3HB ALA 48 -6.469 1.194 7.085 330 H ALA 49 H ALA 49 -3.603 2.559 9.495 331 HA ALA 49 HA ALA 49 -3.938 5.351 9.684 332 HB1 ALA 49 1HB ALA 49 -3.616 3.672 11.570 333 HB2 ALA 49 2HB ALA 49 -1.889 3.790 11.229 334 HB3 ALA 49 3HB ALA 49 -2.789 5.222 11.728 335 H ALA 50 H ALA 50 -1.065 3.380 8.963 336 HA ALA 50 HA ALA 50 0.832 5.369 8.749 337 HB1 ALA 50 1HB ALA 50 0.702 2.651 8.167 338 HB2 ALA 50 2HB ALA 50 1.188 3.416 6.654 339 HB3 ALA 50 3HB ALA 50 2.133 3.681 8.119 340 H ALA 51 H ALA 51 -1.465 4.256 6.291 341 HA ALA 51 HA ALA 51 -0.541 5.729 4.121 342 HB1 ALA 51 1HB ALA 51 -2.151 4.178 3.563 343 HB2 ALA 51 2HB ALA 51 -3.218 4.649 4.886 344 HB3 ALA 51 3HB ALA 51 -3.063 5.685 3.468 345 H SER 52 H SER 52 -2.660 6.685 6.774 346 HA SER 52 HA SER 52 -3.230 9.270 5.656 347 HB2 SER 52 1HB SER 52 -4.595 7.821 7.397 348 HB3 SER 52 2HB SER 52 -3.596 8.684 8.567 349 HG SER 52 HG SER 52 -5.622 9.620 6.920 350 H GLU 53 H GLU 53 -1.088 7.996 8.166 351 HA GLU 53 HA GLU 53 -0.103 10.506 9.030 352 HB2 GLU 53 1HB GLU 53 0.118 8.548 10.436 353 HB3 GLU 53 2HB GLU 53 1.094 7.738 9.218 354 HG2 GLU 53 1HG GLU 53 2.657 8.465 10.756 355 HG3 GLU 53 2HG GLU 53 2.717 9.706 9.505 356 H VAL 54 H VAL 54 0.633 8.472 6.335 357 HA VAL 54 HA VAL 54 3.186 9.731 5.793 358 HB VAL 54 HB VAL 54 1.564 7.675 4.302 359 HG11 VAL 54 1HG1 VAL 54 2.649 9.069 2.645 360 HG12 VAL 54 2HG1 VAL 54 4.190 8.918 3.491 361 HG13 VAL 54 3HG1 VAL 54 3.456 7.504 2.734 362 HG21 VAL 54 1HG2 VAL 54 3.600 7.594 6.323 363 HG22 VAL 54 2HG2 VAL 54 2.668 6.269 5.624 364 HG23 VAL 54 3HG2 VAL 54 4.169 6.792 4.858 365 H LYS 55 H LYS 55 -0.032 9.621 4.285 366 HA LYS 55 HA LYS 55 0.559 11.418 2.191 367 HB2 LYS 55 1HB LYS 55 -1.712 11.349 1.671 368 HB3 LYS 55 2HB LYS 55 -1.441 9.802 2.463 369 HG2 LYS 55 1HG LYS 55 -2.358 10.684 4.536 370 HG3 LYS 55 2HG LYS 55 -2.594 12.258 3.773 371 HD2 LYS 55 1HD LYS 55 -3.981 10.909 2.034 372 HD3 LYS 55 2HD LYS 55 -4.046 9.683 3.302 373 HE2 LYS 55 1HE LYS 55 -5.014 11.315 4.837 374 HE3 LYS 55 2HE LYS 55 -4.924 12.556 3.587 375 HZ1 LYS 55 1HZ LYS 55 -6.833 11.864 2.736 376 HZ2 LYS 55 2HZ LYS 55 -7.013 10.822 4.056 377 HZ3 LYS 55 3HZ LYS 55 -6.293 10.264 2.630 378 H GLU 56 H GLU 56 -0.076 11.895 5.529 379 HA GLU 56 HA GLU 56 -0.882 14.664 5.223 380 HB2 GLU 56 1HB GLU 56 -1.326 14.667 7.504 381 HB3 GLU 56 2HB GLU 56 -1.653 12.999 7.057 382 HG2 GLU 56 1HG GLU 56 -0.415 12.672 8.934 383 HG3 GLU 56 2HG GLU 56 0.864 12.665 7.721 384 H GLN 57 H GLN 57 1.993 12.826 5.936 385 HA GLN 57 HA GLN 57 3.487 15.199 6.709 386 HB2 GLN 57 1HB GLN 57 4.171 12.271 6.553 387 HB3 GLN 57 2HB GLN 57 5.401 13.497 6.828 388 HG2 GLN 57 1HG GLN 57 4.159 14.240 8.829 389 HG3 GLN 57 2HG GLN 57 3.018 12.922 8.572 390 HE21 GLN 57 1HE2 GLN 57 4.306 10.757 8.146 391 HE22 GLN 57 2HE2 GLN 57 5.484 10.398 9.357 392 H THR 58 H THR 58 2.974 13.175 3.944 393 HA THR 58 HA THR 58 5.210 14.415 2.511 394 HB THR 58 HB THR 58 4.859 12.756 0.779 395 HG1 THR 58 1HG THR 58 2.556 12.106 2.312 396 HG21 THR 58 1HG2 THR 58 4.613 11.202 3.331 397 HG22 THR 58 2HG2 THR 58 6.032 12.204 3.023 398 HG23 THR 58 3HG2 THR 58 5.629 10.883 1.926 399 H LYS 59 H LYS 59 2.184 15.264 3.173 400 HA LYS 59 HA LYS 59 0.665 16.678 2.243 401 HB2 LYS 59 1HB LYS 59 3.025 17.178 0.438 402 HB3 LYS 59 2HB LYS 59 1.500 18.030 0.233 403 HG2 LYS 59 1HG LYS 59 2.577 19.528 1.548 404 HG3 LYS 59 2HG LYS 59 1.852 18.527 2.809 405 HD2 LYS 59 1HD LYS 59 3.850 17.562 3.382 406 HD3 LYS 59 2HD LYS 59 4.535 17.766 1.768 407 HE2 LYS 59 1HE LYS 59 5.168 19.938 2.164 408 HE3 LYS 59 2HE LYS 59 3.922 20.191 3.385 409 HZ1 LYS 59 1HZ LYS 59 6.516 19.767 3.921 410 HZ2 LYS 59 2HZ LYS 59 5.896 18.202 4.080 411 HZ3 LYS 59 3HZ LYS 59 5.256 19.463 5.008 412 H GLY 60 H GLY 60 0.861 13.851 1.385 413 HA2 GLY 60 1HA GLY 60 -0.696 12.671 0.070 414 HA3 GLY 60 2HA GLY 60 -0.894 14.098 -0.937 415 H LYS 61 H LYS 61 2.240 14.110 -0.835 416 HA LYS 61 HA LYS 61 2.720 13.218 -3.394 417 HB2 LYS 61 1HB LYS 61 4.413 14.535 -2.501 418 HB3 LYS 61 2HB LYS 61 4.483 13.611 -1.006 419 HG2 LYS 61 1HG LYS 61 6.457 13.329 -2.494 420 HG3 LYS 61 2HG LYS 61 5.638 11.823 -2.074 421 HD2 LYS 61 1HD LYS 61 5.986 11.578 -4.350 422 HD3 LYS 61 2HD LYS 61 4.340 12.211 -4.291 423 HE2 LYS 61 1HE LYS 61 5.235 13.577 -5.891 424 HE3 LYS 61 2HE LYS 61 5.589 14.526 -4.447 425 HZ1 LYS 61 1HZ LYS 61 7.405 13.812 -6.297 426 HZ2 LYS 61 2HZ LYS 61 7.628 12.604 -5.134 427 HZ3 LYS 61 3HZ LYS 61 7.777 14.232 -4.701 428 H VAL 62 H VAL 62 3.828 11.466 -0.489 429 HA VAL 62 HA VAL 62 4.095 9.019 -1.986 430 HB VAL 62 HB VAL 62 4.333 9.435 0.997 431 HG11 VAL 62 1HG1 VAL 62 4.509 7.219 1.055 432 HG12 VAL 62 2HG1 VAL 62 4.496 7.110 -0.706 433 HG13 VAL 62 3HG1 VAL 62 6.014 7.381 0.151 434 HG21 VAL 62 1HG2 VAL 62 6.510 9.441 -1.092 435 HG22 VAL 62 2HG2 VAL 62 5.870 10.877 -0.294 436 HG23 VAL 62 3HG2 VAL 62 6.718 9.650 0.647 437 H LYS 63 H LYS 63 2.274 8.009 -2.566 438 HA LYS 63 HA LYS 63 0.018 7.901 -0.710 439 HB2 LYS 63 1HB LYS 63 0.263 7.060 -3.604 440 HB3 LYS 63 2HB LYS 63 -1.206 6.922 -2.647 441 HG2 LYS 63 1HG LYS 63 -1.533 9.214 -2.580 442 HG3 LYS 63 2HG LYS 63 0.155 9.566 -2.957 443 HD2 LYS 63 1HD LYS 63 -0.787 10.011 -4.990 444 HD3 LYS 63 2HD LYS 63 -0.458 8.288 -5.194 445 HE2 LYS 63 1HE LYS 63 -2.682 8.668 -5.940 446 HE3 LYS 63 2HE LYS 63 -2.793 7.850 -4.382 447 HZ1 LYS 63 1HZ LYS 63 -4.352 9.582 -4.314 448 HZ2 LYS 63 2HZ LYS 63 -3.278 10.708 -4.977 449 HZ3 LYS 63 3HZ LYS 63 -3.044 10.143 -3.399 450 H LEU 64 H LEU 64 -1.027 5.896 -0.210 451 HA LEU 64 HA LEU 64 0.749 3.554 -0.414 452 HB2 LEU 64 1HB LEU 64 -0.668 4.730 1.910 453 HB3 LEU 64 2HB LEU 64 -0.599 2.972 1.810 454 HG LEU 64 HG LEU 64 1.926 3.244 1.598 455 HD11 LEU 64 1HD1 LEU 64 1.548 5.882 2.933 456 HD12 LEU 64 2HD1 LEU 64 1.550 5.795 1.172 457 HD13 LEU 64 3HD1 LEU 64 2.953 5.239 2.084 458 HD21 LEU 64 1HD2 LEU 64 1.062 4.270 4.247 459 HD22 LEU 64 2HD2 LEU 64 2.144 2.936 3.844 460 HD23 LEU 64 3HD2 LEU 64 0.397 2.731 3.700 461 H ALA 65 H ALA 65 -0.120 1.918 -1.486 462 HA ALA 65 HA ALA 65 -3.048 1.599 -1.449 463 HB1 ALA 65 1HB ALA 65 -3.002 0.900 -3.769 464 HB2 ALA 65 2HB ALA 65 -2.304 2.513 -3.607 465 HB3 ALA 65 3HB ALA 65 -1.252 1.114 -3.822 466 H ALA 66 H ALA 66 -3.830 -0.555 -1.650 467 HA ALA 66 HA ALA 66 -1.836 -2.598 -0.916 468 HB1 ALA 66 1HB ALA 66 -4.672 -2.212 -0.010 469 HB2 ALA 66 2HB ALA 66 -3.833 -3.754 0.168 470 HB3 ALA 66 3HB ALA 66 -3.206 -2.311 0.965 471 H VAL 67 H VAL 67 -2.250 -4.777 -1.638 472 HA VAL 67 HA VAL 67 -4.136 -5.074 -3.851 473 HB VAL 67 HB VAL 67 -1.186 -5.672 -4.123 474 HG11 VAL 67 1HG1 VAL 67 -3.043 -5.876 -6.421 475 HG12 VAL 67 2HG1 VAL 67 -1.592 -6.808 -6.046 476 HG13 VAL 67 3HG1 VAL 67 -3.108 -7.163 -5.217 477 HG21 VAL 67 1HG2 VAL 67 -1.817 -4.046 -6.190 478 HG22 VAL 67 2HG2 VAL 67 -2.893 -3.418 -4.942 479 HG23 VAL 67 3HG2 VAL 67 -1.154 -3.482 -4.656 480 H ASP 68 H ASP 68 -4.973 -7.091 -4.031 481 HA ASP 68 HA ASP 68 -4.265 -8.995 -1.950 482 HB2 ASP 68 1HB ASP 68 -6.653 -8.379 -2.486 483 HB3 ASP 68 2HB ASP 68 -6.458 -9.234 -4.014 484 H ALA 69 H ALA 69 -2.567 -10.250 -2.403 485 HA ALA 69 HA ALA 69 -1.625 -10.929 -4.942 486 HB1 ALA 69 1HB ALA 69 -0.947 -12.996 -3.098 487 HB2 ALA 69 2HB ALA 69 0.065 -11.697 -3.729 488 HB3 ALA 69 3HB ALA 69 -0.887 -11.442 -2.266 489 H THR 70 H THR 70 -4.384 -12.018 -3.351 490 HA THR 70 HA THR 70 -4.433 -14.660 -4.533 491 HB THR 70 HB THR 70 -6.560 -14.958 -3.463 492 HG1 THR 70 1HG THR 70 -7.820 -13.269 -3.346 493 HG21 THR 70 1HG2 THR 70 -6.005 -14.296 -1.097 494 HG22 THR 70 2HG2 THR 70 -4.599 -13.448 -1.740 495 HG23 THR 70 3HG2 THR 70 -4.742 -15.194 -1.937 496 H VAL 71 H VAL 71 -5.427 -11.481 -5.370 497 HA VAL 71 HA VAL 71 -7.108 -12.530 -7.550 498 HB VAL 71 HB VAL 71 -7.065 -9.745 -6.379 499 HG11 VAL 71 1HG1 VAL 71 -7.626 -10.078 -8.870 500 HG12 VAL 71 2HG1 VAL 71 -9.117 -10.817 -8.282 501 HG13 VAL 71 3HG1 VAL 71 -8.741 -9.141 -7.877 502 HG21 VAL 71 1HG2 VAL 71 -9.320 -10.321 -5.554 503 HG22 VAL 71 2HG2 VAL 71 -9.081 -11.975 -6.119 504 HG23 VAL 71 3HG2 VAL 71 -8.058 -11.324 -4.838 505 H ASN 72 H ASN 72 -4.416 -10.417 -6.756 506 HA ASN 72 HA ASN 72 -4.023 -9.695 -9.548 507 HB2 ASN 72 1HB ASN 72 -2.842 -8.820 -6.942 508 HB3 ASN 72 2HB ASN 72 -1.926 -8.551 -8.422 509 HD21 ASN 72 1HD2 ASN 72 -5.030 -7.957 -6.869 510 HD22 ASN 72 2HD2 ASN 72 -5.375 -6.489 -7.713 511 H GLN 73 H GLN 73 -3.094 -11.182 -10.796 512 HA GLN 73 HA GLN 73 -0.928 -12.821 -9.672 513 HB2 GLN 73 1HB GLN 73 -2.669 -13.277 -12.100 514 HB3 GLN 73 2HB GLN 73 -1.345 -14.326 -11.610 515 HG2 GLN 73 1HG GLN 73 -3.495 -13.738 -9.644 516 HG3 GLN 73 2HG GLN 73 -3.830 -14.860 -10.962 517 HE21 GLN 73 1HE2 GLN 73 -2.763 -14.626 -7.864 518 HE22 GLN 73 2HE2 GLN 73 -1.888 -16.110 -7.745 519 H VAL 74 H VAL 74 -1.814 -10.773 -12.405 520 HA VAL 74 HA VAL 74 0.454 -11.053 -13.978 521 HB VAL 74 HB VAL 74 -1.122 -8.511 -13.550 522 HG11 VAL 74 1HG1 VAL 74 1.182 -9.067 -15.116 523 HG12 VAL 74 2HG1 VAL 74 -0.182 -8.818 -16.207 524 HG13 VAL 74 3HG1 VAL 74 0.243 -7.577 -15.027 525 HG21 VAL 74 1HG2 VAL 74 -1.605 -10.297 -15.867 526 HG22 VAL 74 2HG2 VAL 74 -2.237 -10.808 -14.302 527 HG23 VAL 74 3HG2 VAL 74 -2.723 -9.256 -14.986 528 H LEU 75 H LEU 75 -0.100 -8.951 -11.189 529 HA LEU 75 HA LEU 75 2.527 -7.764 -11.389 530 HB2 LEU 75 1HB LEU 75 0.756 -7.539 -8.991 531 HB3 LEU 75 2HB LEU 75 1.898 -6.367 -9.646 532 HG LEU 75 HG LEU 75 -0.647 -7.097 -11.072 533 HD11 LEU 75 1HD1 LEU 75 -0.284 -4.753 -9.221 534 HD12 LEU 75 2HD1 LEU 75 -1.085 -6.252 -8.749 535 HD13 LEU 75 3HD1 LEU 75 -1.755 -5.266 -10.048 536 HD21 LEU 75 1HD2 LEU 75 1.585 -5.276 -11.511 537 HD22 LEU 75 2HD2 LEU 75 0.012 -4.484 -11.602 538 HD23 LEU 75 3HD2 LEU 75 0.364 -5.868 -12.638 539 H ALA 76 H ALA 76 0.848 -9.935 -9.127 540 HA ALA 76 HA ALA 76 2.841 -10.362 -7.282 541 HB1 ALA 76 1HB ALA 76 1.820 -12.737 -7.146 542 HB2 ALA 76 2HB ALA 76 0.809 -11.343 -6.760 543 HB3 ALA 76 3HB ALA 76 0.666 -12.127 -8.334 544 H SER 77 H SER 77 2.433 -11.897 -10.442 545 HA SER 77 HA SER 77 4.693 -13.638 -10.096 546 HB2 SER 77 1HB SER 77 2.651 -14.077 -11.575 547 HB3 SER 77 2HB SER 77 3.374 -12.949 -12.722 548 HG SER 77 HG SER 77 3.861 -15.454 -12.629 549 H ARG 78 H ARG 78 4.053 -10.579 -11.731 550 HA ARG 78 HA ARG 78 6.320 -10.269 -13.248 551 HB2 ARG 78 1HB ARG 78 4.359 -8.682 -13.055 552 HB3 ARG 78 2HB ARG 78 5.112 -8.052 -11.595 553 HG2 ARG 78 1HG ARG 78 7.075 -7.391 -12.885 554 HG3 ARG 78 2HG ARG 78 6.328 -8.033 -14.350 555 HD2 ARG 78 1HD ARG 78 4.373 -6.435 -13.732 556 HD3 ARG 78 2HD ARG 78 5.584 -5.626 -12.738 557 HE ARG 78 HE ARG 78 6.516 -4.776 -14.643 558 HH11 ARG 78 2HH1 ARG 78 4.461 -7.456 -15.491 559 HH12 ARG 78 1HH1 ARG 78 4.609 -7.198 -17.198 560 HH21 ARG 78 2HH2 ARG 78 6.719 -4.427 -16.888 561 HH22 ARG 78 1HH2 ARG 78 5.895 -5.476 -17.992 562 H TYR 79 H TYR 79 5.926 -9.337 -9.832 563 HA TYR 79 HA TYR 79 8.836 -9.046 -9.619 564 HB2 TYR 79 1HB TYR 79 6.782 -8.309 -7.534 565 HB3 TYR 79 2HB TYR 79 8.458 -7.779 -7.632 566 HD1 TYR 79 1HD TYR 79 9.133 -6.101 -9.303 567 HD2 TYR 79 2HD TYR 79 5.062 -7.244 -8.827 568 HE1 TYR 79 1HE TYR 79 8.432 -4.104 -10.556 569 HE2 TYR 79 2HE TYR 79 4.350 -5.251 -10.079 570 HH TYR 79 HH TYR 79 5.156 -3.080 -10.697 571 H GLY 80 H GLY 80 6.265 -11.146 -8.796 572 HA2 GLY 80 1HA GLY 80 6.405 -13.279 -7.893 573 HA3 GLY 80 2HA GLY 80 8.105 -12.989 -7.551 574 H ILE 81 H ILE 81 4.822 -12.353 -6.423 575 HA ILE 81 HA ILE 81 5.908 -11.801 -3.743 576 HB ILE 81 HB ILE 81 3.106 -11.206 -4.684 577 HG12 ILE 81 1HG1 ILE 81 4.854 -9.991 -6.021 578 HG13 ILE 81 2HG1 ILE 81 3.774 -8.940 -5.112 579 HG21 ILE 81 1HG2 ILE 81 4.485 -11.039 -2.165 580 HG22 ILE 81 2HG2 ILE 81 3.917 -9.448 -2.670 581 HG23 ILE 81 3HG2 ILE 81 2.778 -10.787 -2.527 582 HD11 ILE 81 1HD1 ILE 81 6.187 -9.673 -3.652 583 HD12 ILE 81 2HD1 ILE 81 6.493 -8.778 -5.141 584 HD13 ILE 81 3HD1 ILE 81 5.441 -8.095 -3.902 585 H ARG 82 H ARG 82 5.978 -13.625 -2.593 586 HA ARG 82 HA ARG 82 3.576 -15.330 -2.570 587 HB2 ARG 82 1HB ARG 82 4.969 -17.284 -2.273 588 HB3 ARG 82 2HB ARG 82 5.477 -16.427 -3.722 589 HG2 ARG 82 1HG ARG 82 7.469 -15.760 -2.798 590 HG3 ARG 82 2HG ARG 82 6.860 -15.866 -1.145 591 HD2 ARG 82 1HD ARG 82 6.673 -18.416 -1.697 592 HD3 ARG 82 2HD ARG 82 7.852 -18.027 -2.949 593 HE ARG 82 HE ARG 82 8.990 -16.946 -0.787 594 HH11 ARG 82 2HH1 ARG 82 7.543 -20.070 -1.305 595 HH12 ARG 82 1HH1 ARG 82 8.564 -20.877 -0.162 596 HH21 ARG 82 2HH2 ARG 82 10.340 -17.998 0.721 597 HH22 ARG 82 1HH2 ARG 82 10.154 -19.697 0.991 598 H GLY 83 H GLY 83 6.040 -13.677 -0.789 599 HA2 GLY 83 1HA GLY 83 5.003 -14.783 1.739 600 HA3 GLY 83 2HA GLY 83 6.566 -14.002 1.542 601 H PHE 84 H PHE 84 3.218 -13.567 2.190 602 HA PHE 84 HA PHE 84 3.475 -10.651 2.136 603 HB2 PHE 84 1HB PHE 84 0.926 -11.978 2.922 604 HB3 PHE 84 2HB PHE 84 1.187 -10.523 1.966 605 HD1 PHE 84 2HD PHE 84 3.231 -11.899 0.076 606 HD2 PHE 84 1HD PHE 84 -0.679 -12.920 1.413 607 HE1 PHE 84 2HE PHE 84 2.866 -13.191 -1.986 608 HE2 PHE 84 1HE PHE 84 -1.050 -14.214 -0.647 609 HZ PHE 84 HZ PHE 84 0.724 -14.349 -2.350 610 HA PRO 85 HA PRO 85 1.954 -9.057 3.059 611 HB2 PRO 85 1HB PRO 85 2.949 -6.889 4.356 612 HB3 PRO 85 2HB PRO 85 1.441 -7.683 4.828 613 HG2 PRO 85 1HG PRO 85 4.179 -7.962 6.007 614 HG3 PRO 85 2HG PRO 85 2.615 -7.818 6.831 615 HD2 PRO 85 1HD PRO 85 3.873 -10.192 6.498 616 HD3 PRO 85 2HD PRO 85 2.105 -10.044 6.519 617 H THR 86 H THR 86 2.987 -7.497 1.655 618 HA THR 86 HA THR 86 5.915 -7.647 1.546 619 HB THR 86 HB THR 86 4.313 -7.912 -0.984 620 HG1 THR 86 1HG THR 86 5.451 -10.163 0.277 621 HG21 THR 86 1HG2 THR 86 6.494 -9.098 -1.633 622 HG22 THR 86 2HG2 THR 86 7.162 -8.398 -0.159 623 HG23 THR 86 3HG2 THR 86 6.546 -7.347 -1.434 624 H ILE 87 H ILE 87 6.484 -5.582 1.808 625 HA ILE 87 HA ILE 87 4.911 -3.477 0.515 626 HB ILE 87 HB ILE 87 7.171 -3.159 2.490 627 HG12 ILE 87 1HG1 ILE 87 4.262 -2.825 3.155 628 HG13 ILE 87 2HG1 ILE 87 5.013 -4.415 3.233 629 HG21 ILE 87 1HG2 ILE 87 5.163 -1.274 1.298 630 HG22 ILE 87 2HG2 ILE 87 5.996 -0.916 2.809 631 HG23 ILE 87 3HG2 ILE 87 6.921 -1.140 1.324 632 HD11 ILE 87 1HD1 ILE 87 5.850 -1.972 4.776 633 HD12 ILE 87 2HD1 ILE 87 4.995 -3.378 5.411 634 HD13 ILE 87 3HD1 ILE 87 6.652 -3.541 4.832 635 H LYS 88 H LYS 88 5.563 -2.637 -1.342 636 HA LYS 88 HA LYS 88 8.439 -2.554 -1.940 637 HB2 LYS 88 1HB LYS 88 6.262 -3.383 -3.869 638 HB3 LYS 88 2HB LYS 88 7.953 -3.142 -4.289 639 HG2 LYS 88 1HG LYS 88 7.323 -5.056 -2.110 640 HG3 LYS 88 2HG LYS 88 6.965 -5.534 -3.771 641 HD2 LYS 88 1HD LYS 88 9.417 -4.640 -4.184 642 HD3 LYS 88 2HD LYS 88 9.586 -4.999 -2.464 643 HE2 LYS 88 1HE LYS 88 8.437 -7.269 -3.214 644 HE3 LYS 88 2HE LYS 88 9.156 -6.832 -4.764 645 HZ1 LYS 88 1HZ LYS 88 10.937 -7.875 -3.923 646 HZ2 LYS 88 2HZ LYS 88 10.431 -7.711 -2.318 647 HZ3 LYS 88 3HZ LYS 88 11.205 -6.424 -3.096 648 H ILE 89 H ILE 89 9.134 -0.629 -2.630 649 HA ILE 89 HA ILE 89 7.163 1.477 -3.053 650 HB ILE 89 HB ILE 89 10.146 1.537 -2.634 651 HG12 ILE 89 1HG1 ILE 89 9.245 3.084 -0.719 652 HG13 ILE 89 2HG1 ILE 89 7.720 2.261 -1.027 653 HG21 ILE 89 1HG2 ILE 89 9.935 4.014 -2.688 654 HG22 ILE 89 2HG2 ILE 89 9.680 3.243 -4.253 655 HG23 ILE 89 3HG2 ILE 89 8.299 3.817 -3.318 656 HD11 ILE 89 1HD1 ILE 89 9.468 0.176 -0.845 657 HD12 ILE 89 2HD1 ILE 89 10.119 1.320 0.328 658 HD13 ILE 89 3HD1 ILE 89 8.447 0.775 0.461 659 H PHE 90 H PHE 90 6.913 2.619 -4.922 660 HA PHE 90 HA PHE 90 8.529 1.771 -7.234 661 HB2 PHE 90 1HB PHE 90 5.547 2.211 -7.074 662 HB3 PHE 90 2HB PHE 90 6.421 2.151 -8.601 663 HD1 PHE 90 1HD PHE 90 5.296 0.221 -5.700 664 HD2 PHE 90 2HD PHE 90 7.280 0.080 -9.463 665 HE1 PHE 90 1HE PHE 90 5.105 -2.232 -5.704 666 HE2 PHE 90 2HE PHE 90 7.092 -2.373 -9.474 667 HZ PHE 90 HZ PHE 90 6.003 -3.532 -7.593 668 H GLN 91 H GLN 91 9.795 3.466 -7.664 669 HA GLN 91 HA GLN 91 8.748 6.175 -7.387 670 HB2 GLN 91 1HB GLN 91 11.535 5.168 -7.980 671 HB3 GLN 91 2HB GLN 91 11.100 6.863 -7.809 672 HG2 GLN 91 1HG GLN 91 10.507 4.934 -5.610 673 HG3 GLN 91 2HG GLN 91 12.131 5.590 -5.807 674 HE21 GLN 91 1HE2 GLN 91 10.873 6.105 -3.511 675 HE22 GLN 91 2HE2 GLN 91 10.359 7.752 -3.437 676 H LYS 92 H LYS 92 9.270 7.763 -9.116 677 HA LYS 92 HA LYS 92 8.541 6.634 -11.703 678 HB2 LYS 92 1HB LYS 92 7.384 8.647 -10.623 679 HB3 LYS 92 2HB LYS 92 8.828 9.560 -11.042 680 HG2 LYS 92 1HG LYS 92 7.338 9.980 -12.785 681 HG3 LYS 92 2HG LYS 92 8.436 8.758 -13.431 682 HD2 LYS 92 1HD LYS 92 6.569 7.144 -12.409 683 HD3 LYS 92 2HD LYS 92 5.563 8.559 -12.728 684 HE2 LYS 92 1HE LYS 92 7.419 7.545 -14.839 685 HE3 LYS 92 2HE LYS 92 5.880 6.730 -14.564 686 HZ1 LYS 92 1HZ LYS 92 5.711 8.427 -16.283 687 HZ2 LYS 92 2HZ LYS 92 6.207 9.616 -15.187 688 HZ3 LYS 92 3HZ LYS 92 4.736 8.813 -14.955 689 H GLY 93 H GLY 93 10.169 5.999 -12.963 690 HA2 GLY 93 1HA GLY 93 11.880 6.727 -14.510 691 HA3 GLY 93 2HA GLY 93 12.455 7.836 -13.274 692 H GLU 94 H GLU 94 12.543 6.134 -11.075 693 HA GLU 94 HA GLU 94 14.824 4.459 -11.826 694 HB2 GLU 94 1HB GLU 94 13.905 5.409 -9.106 695 HB3 GLU 94 2HB GLU 94 15.355 4.464 -9.416 696 HG2 GLU 94 1HG GLU 94 16.333 6.261 -10.663 697 HG3 GLU 94 2HG GLU 94 14.842 7.196 -10.565 698 H SER 95 H SER 95 15.079 2.350 -10.818 699 HA SER 95 HA SER 95 12.747 0.761 -11.096 700 HB2 SER 95 1HB SER 95 14.142 -1.094 -10.761 701 HB3 SER 95 2HB SER 95 15.231 0.107 -11.455 702 HG SER 95 HG SER 95 15.623 0.635 -9.102 703 HA PRO 96 HA PRO 96 11.031 0.802 -7.054 704 HB2 PRO 96 1HB PRO 96 9.953 -1.688 -6.948 705 HB3 PRO 96 2HB PRO 96 9.272 -0.387 -7.932 706 HG2 PRO 96 1HG PRO 96 11.044 -2.655 -8.754 707 HG3 PRO 96 2HG PRO 96 9.613 -2.000 -9.572 708 HD2 PRO 96 1HD PRO 96 12.137 -1.388 -10.338 709 HD3 PRO 96 2HD PRO 96 10.789 -0.244 -10.492 710 H VAL 97 H VAL 97 11.515 0.245 -4.967 711 HA VAL 97 HA VAL 97 13.799 -1.569 -4.612 712 HB VAL 97 HB VAL 97 14.025 -0.458 -2.372 713 HG11 VAL 97 1HG1 VAL 97 14.896 1.700 -3.334 714 HG12 VAL 97 2HG1 VAL 97 15.493 0.231 -4.107 715 HG13 VAL 97 3HG1 VAL 97 14.232 1.188 -4.885 716 HG21 VAL 97 1HG2 VAL 97 12.036 1.506 -3.504 717 HG22 VAL 97 2HG2 VAL 97 11.679 0.332 -2.237 718 HG23 VAL 97 3HG2 VAL 97 12.859 1.610 -1.947 719 H ASP 98 H ASP 98 13.817 -2.605 -2.336 720 HA ASP 98 HA ASP 98 11.166 -3.803 -1.873 721 HB2 ASP 98 1HB ASP 98 12.216 -5.850 -1.297 722 HB3 ASP 98 2HB ASP 98 13.030 -5.293 -2.756 723 H TYR 99 H TYR 99 10.253 -3.012 -0.100 724 HA TYR 99 HA TYR 99 11.812 -1.867 2.031 725 HB2 TYR 99 1HB TYR 99 9.700 -0.834 1.414 726 HB3 TYR 99 2HB TYR 99 8.835 -2.328 1.757 727 HD1 TYR 99 2HD TYR 99 8.552 -3.088 4.090 728 HD2 TYR 99 1HD TYR 99 10.343 0.661 3.172 729 HE1 TYR 99 2HE TYR 99 8.210 -2.362 6.415 730 HE2 TYR 99 1HE TYR 99 10.007 1.397 5.495 731 HH TYR 99 HH TYR 99 8.426 -0.711 7.879 732 H ASP 100 H ASP 100 12.340 -2.753 3.940 733 HA ASP 100 HA ASP 100 11.010 -5.167 4.868 734 HB2 ASP 100 1HB ASP 100 14.014 -5.151 4.577 735 HB3 ASP 100 2HB ASP 100 12.977 -6.505 5.018 736 H GLY 101 H GLY 101 10.834 -5.203 7.030 737 HA2 GLY 101 1HA GLY 101 12.506 -4.624 9.025 738 HA3 GLY 101 2HA GLY 101 12.035 -3.008 8.518 739 H GLY 102 H GLY 102 10.702 -2.254 10.040 740 HA2 GLY 102 1HA GLY 102 8.970 -3.925 11.571 741 HA3 GLY 102 2HA GLY 102 8.987 -2.167 11.574 742 H ARG 103 H ARG 103 6.738 -4.094 11.553 743 HA ARG 103 HA ARG 103 5.473 -3.330 9.007 744 HB2 ARG 103 1HB ARG 103 4.967 -5.630 10.886 745 HB3 ARG 103 2HB ARG 103 3.810 -5.164 9.646 746 HG2 ARG 103 1HG ARG 103 5.626 -5.476 7.955 747 HG3 ARG 103 2HG ARG 103 6.623 -6.148 9.247 748 HD2 ARG 103 1HD ARG 103 4.543 -7.689 9.637 749 HD3 ARG 103 2HD ARG 103 4.162 -7.255 7.971 750 HE ARG 103 HE ARG 103 5.857 -8.619 7.275 751 HH11 ARG 103 2HH1 ARG 103 6.290 -7.919 10.658 752 HH12 ARG 103 1HH1 ARG 103 7.606 -9.030 10.853 753 HH21 ARG 103 2HH2 ARG 103 7.588 -10.084 7.519 754 HH22 ARG 103 1HH2 ARG 103 8.344 -10.260 9.066 755 H THR 104 H THR 104 5.720 -1.549 11.257 756 HA THR 104 HA THR 104 2.881 -1.269 12.007 757 HB THR 104 HB THR 104 3.677 0.006 14.001 758 HG1 THR 104 1HG THR 104 5.725 0.504 14.059 759 HG21 THR 104 1HG2 THR 104 4.708 -2.093 15.137 760 HG22 THR 104 2HG2 THR 104 4.365 -2.882 13.598 761 HG23 THR 104 3HG2 THR 104 3.053 -2.166 14.535 762 H ARG 105 H ARG 105 1.884 0.628 11.588 763 HA ARG 105 HA ARG 105 2.512 2.326 9.633 764 HB2 ARG 105 1HB ARG 105 0.980 3.880 10.493 765 HB3 ARG 105 2HB ARG 105 0.459 2.343 11.170 766 HG2 ARG 105 1HG ARG 105 1.817 2.964 13.227 767 HG3 ARG 105 2HG ARG 105 1.901 4.588 12.539 768 HD2 ARG 105 1HD ARG 105 -0.512 4.747 12.531 769 HD3 ARG 105 2HD ARG 105 -0.652 3.082 13.094 770 HE ARG 105 HE ARG 105 0.879 4.424 14.968 771 HH11 ARG 105 2HH1 ARG 105 -2.346 4.616 13.671 772 HH12 ARG 105 1HH1 ARG 105 -3.034 5.253 15.128 773 HH21 ARG 105 2HH2 ARG 105 -0.015 5.262 16.892 774 HH22 ARG 105 1HH2 ARG 105 -1.707 5.621 16.959 775 H SER 106 H SER 106 3.884 2.423 12.855 776 HA SER 106 HA SER 106 5.086 4.930 12.817 777 HB2 SER 106 1HB SER 106 4.956 3.195 14.727 778 HB3 SER 106 2HB SER 106 6.434 2.527 14.035 779 HG SER 106 HG SER 106 6.747 4.137 15.713 780 H ASP 107 H ASP 107 6.592 1.811 11.959 781 HA ASP 107 HA ASP 107 8.929 3.028 10.879 782 HB2 ASP 107 1HB ASP 107 7.845 0.228 10.502 783 HB3 ASP 107 2HB ASP 107 9.465 0.761 10.062 784 H ILE 108 H ILE 108 6.132 1.422 9.367 785 HA ILE 108 HA ILE 108 6.783 1.657 6.721 786 HB ILE 108 HB ILE 108 4.043 2.111 7.909 787 HG12 ILE 108 1HG1 ILE 108 5.067 -0.462 6.739 788 HG13 ILE 108 2HG1 ILE 108 5.367 -0.060 8.426 789 HG21 ILE 108 1HG2 ILE 108 4.633 1.063 5.162 790 HG22 ILE 108 2HG2 ILE 108 3.122 1.708 5.800 791 HG23 ILE 108 3HG2 ILE 108 4.476 2.791 5.477 792 HD11 ILE 108 1HD1 ILE 108 3.049 -1.195 7.244 793 HD12 ILE 108 2HD1 ILE 108 3.378 -0.862 8.945 794 HD13 ILE 108 3HD1 ILE 108 2.622 0.370 7.936 795 H VAL 109 H VAL 109 5.511 4.160 8.851 796 HA VAL 109 HA VAL 109 5.233 6.099 6.744 797 HB VAL 109 HB VAL 109 5.053 6.287 9.744 798 HG11 VAL 109 1HG1 VAL 109 4.397 8.621 9.492 799 HG12 VAL 109 2HG1 VAL 109 6.041 8.365 8.905 800 HG13 VAL 109 3HG1 VAL 109 4.711 8.533 7.759 801 HG21 VAL 109 1HG2 VAL 109 3.240 5.514 7.799 802 HG22 VAL 109 2HG2 VAL 109 2.861 5.988 9.455 803 HG23 VAL 109 3HG2 VAL 109 2.795 7.182 8.159 804 H SER 110 H SER 110 7.490 5.598 9.444 805 HA SER 110 HA SER 110 9.102 7.801 9.172 806 HB2 SER 110 1HB SER 110 9.255 5.898 10.884 807 HB3 SER 110 2HB SER 110 10.246 5.058 9.691 808 HG SER 110 HG SER 110 11.371 7.310 9.748 809 H ARG 111 H ARG 111 9.029 4.906 7.196 810 HA ARG 111 HA ARG 111 11.428 5.497 5.755 811 HB2 ARG 111 1HB ARG 111 10.762 3.214 5.847 812 HB3 ARG 111 2HB ARG 111 9.145 3.590 5.266 813 HG2 ARG 111 1HG ARG 111 10.188 2.646 3.422 814 HG3 ARG 111 2HG ARG 111 10.314 4.381 3.125 815 HD2 ARG 111 1HD ARG 111 12.583 4.430 3.674 816 HD3 ARG 111 2HD ARG 111 12.504 2.884 4.518 817 HE ARG 111 HE ARG 111 11.879 2.565 1.773 818 HH11 ARG 111 2HH1 ARG 111 14.546 3.089 3.948 819 HH12 ARG 111 1HH1 ARG 111 15.711 2.338 2.908 820 HH21 ARG 111 2HH2 ARG 111 13.403 1.574 0.395 821 HH22 ARG 111 1HH2 ARG 111 15.060 1.477 0.887 822 H ALA 112 H ALA 112 7.966 5.704 4.939 823 HA ALA 112 HA ALA 112 8.077 6.674 2.393 824 HB1 ALA 112 1HB ALA 112 5.891 6.669 2.774 825 HB2 ALA 112 2HB ALA 112 6.152 6.681 4.519 826 HB3 ALA 112 3HB ALA 112 6.075 8.201 3.629 827 H LEU 113 H LEU 113 8.643 8.462 5.375 828 HA LEU 113 HA LEU 113 8.725 11.042 4.233 829 HB2 LEU 113 1HB LEU 113 9.918 9.886 6.738 830 HB3 LEU 113 2HB LEU 113 10.088 11.586 6.303 831 HG LEU 113 HG LEU 113 7.414 10.247 6.658 832 HD11 LEU 113 1HD1 LEU 113 8.510 10.024 8.762 833 HD12 LEU 113 2HD1 LEU 113 7.395 11.385 8.882 834 HD13 LEU 113 3HD1 LEU 113 9.123 11.676 8.683 835 HD21 LEU 113 1HD2 LEU 113 8.335 12.879 5.871 836 HD22 LEU 113 2HD2 LEU 113 7.273 12.945 7.277 837 HD23 LEU 113 3HD2 LEU 113 6.720 12.176 5.788 838 H ASP 114 H ASP 114 11.361 8.829 5.158 839 HA ASP 114 HA ASP 114 13.552 10.257 4.422 840 HB2 ASP 114 1HB ASP 114 13.685 8.009 5.383 841 HB3 ASP 114 2HB ASP 114 13.082 7.317 3.880 842 H LEU 115 H LEU 115 11.282 8.637 2.284 843 HA LEU 115 HA LEU 115 12.849 9.293 -0.072 844 HB2 LEU 115 1HB LEU 115 10.081 8.119 0.018 845 HB3 LEU 115 2HB LEU 115 11.237 8.061 -1.311 846 HG LEU 115 HG LEU 115 11.736 6.696 1.323 847 HD11 LEU 115 1HD1 LEU 115 10.651 5.347 -1.129 848 HD12 LEU 115 2HD1 LEU 115 9.604 5.945 0.158 849 HD13 LEU 115 3HD1 LEU 115 10.807 4.704 0.506 850 HD21 LEU 115 1HD2 LEU 115 13.752 6.768 0.230 851 HD22 LEU 115 2HD2 LEU 115 13.012 6.735 -1.370 852 HD23 LEU 115 3HD2 LEU 115 13.090 5.261 -0.404 853 H PHE 116 H PHE 116 9.783 10.223 1.429 854 HA PHE 116 HA PHE 116 8.633 11.823 -0.432 855 HB2 PHE 116 1HB PHE 116 7.478 11.648 1.596 856 HB3 PHE 116 2HB PHE 116 8.877 12.141 2.545 857 HD1 PHE 116 2HD PHE 116 6.559 13.470 -0.054 858 HD2 PHE 116 1HD PHE 116 8.954 14.285 3.369 859 HE1 PHE 116 2HE PHE 116 5.714 15.780 -0.016 860 HE2 PHE 116 1HE PHE 116 8.112 16.596 3.413 861 HZ PHE 116 HZ PHE 116 6.491 17.347 1.718 862 H SER 117 H SER 117 11.487 12.557 1.476 863 HA SER 117 HA SER 117 11.656 15.293 0.661 864 HB2 SER 117 1HB SER 117 12.682 14.280 2.760 865 HB3 SER 117 2HB SER 117 13.927 13.601 1.711 866 HG SER 117 HG SER 117 13.368 16.327 1.486 867 H ASP 118 H ASP 118 13.430 12.343 -0.241 868 HA ASP 118 HA ASP 118 15.222 13.300 -2.047 869 HB2 ASP 118 1HB ASP 118 13.548 10.791 -2.220 870 HB3 ASP 118 2HB ASP 118 14.902 11.127 -3.295 871 H ASN 119 H ASN 119 11.808 12.574 -2.699 872 HA ASN 119 HA ASN 119 12.057 13.772 -5.354 873 HB2 ASN 119 1HB ASN 119 9.499 13.017 -5.311 874 HB3 ASN 119 2HB ASN 119 10.799 11.882 -5.664 875 HD21 ASN 119 1HD2 ASN 119 11.292 10.290 -4.214 876 HD22 ASN 119 2HD2 ASN 119 10.330 9.947 -2.821 877 H ALA 120 H ALA 120 9.402 13.888 -2.994 878 HA ALA 120 HA ALA 120 8.467 16.401 -3.760 879 HB1 ALA 120 1HB ALA 120 7.796 16.120 -1.063 880 HB2 ALA 120 2HB ALA 120 6.824 15.662 -2.462 881 HB3 ALA 120 3HB ALA 120 7.887 14.478 -1.700 882 HA PRO 121 HA PRO 121 11.358 19.233 -2.023 883 HB2 PRO 121 1HB PRO 121 9.759 21.421 -1.851 884 HB3 PRO 121 2HB PRO 121 10.396 20.814 -3.384 885 HG2 PRO 121 1HG PRO 121 7.693 20.411 -2.164 886 HG3 PRO 121 2HG PRO 121 8.118 20.773 -3.847 887 HD2 PRO 121 1HD PRO 121 7.496 18.275 -3.007 888 HD3 PRO 121 2HD PRO 121 8.657 18.581 -4.315 889 HA PRO 122 HA PRO 122 10.441 18.768 2.333 890 HB2 PRO 122 1HB PRO 122 12.833 19.707 3.207 891 HB3 PRO 122 2HB PRO 122 12.619 18.074 2.567 892 HG2 PRO 122 1HG PRO 122 13.681 20.518 1.203 893 HG3 PRO 122 2HG PRO 122 14.285 18.851 1.143 894 HD2 PRO 122 1HD PRO 122 12.774 19.927 -0.831 895 HD3 PRO 122 2HD PRO 122 12.707 18.204 -0.408 896 HA PRO 123 HA PRO 123 9.235 22.769 3.702 897 HB2 PRO 123 1HB PRO 123 9.682 22.613 6.375 898 HB3 PRO 123 2HB PRO 123 8.362 21.756 5.570 899 HG2 PRO 123 1HG PRO 123 11.041 20.731 6.427 900 HG3 PRO 123 2HG PRO 123 9.449 19.967 6.582 901 HD2 PRO 123 1HD PRO 123 11.202 19.296 4.631 902 HD3 PRO 123 2HD PRO 123 9.443 19.241 4.395 903 H GLU 124 H GLU 124 10.174 24.711 3.621 904 HA GLU 124 HA GLU 124 13.036 24.931 4.028 905 HB2 GLU 124 1HB GLU 124 11.842 25.979 2.081 906 HB3 GLU 124 2HB GLU 124 11.090 27.092 3.215 907 HG2 GLU 124 1HG GLU 124 12.959 28.168 2.175 908 HG3 GLU 124 2HG GLU 124 13.328 27.885 3.875 909 H LEU 125 H LEU 125 13.535 24.954 6.159 910 HA LEU 125 HA LEU 125 12.261 27.039 7.806 911 HB2 LEU 125 1HB LEU 125 13.024 24.233 8.412 912 HB3 LEU 125 2HB LEU 125 13.205 25.431 9.692 913 HG LEU 125 HG LEU 125 10.606 25.022 8.236 914 HD11 LEU 125 1HD1 LEU 125 11.469 22.907 9.320 915 HD12 LEU 125 2HD1 LEU 125 9.896 23.481 9.872 916 HD13 LEU 125 3HD1 LEU 125 11.330 23.752 10.862 917 HD21 LEU 125 1HD2 LEU 125 9.981 26.752 9.475 918 HD22 LEU 125 2HD2 LEU 125 11.565 26.813 10.250 919 HD23 LEU 125 3HD2 LEU 125 10.291 25.795 10.924 920 H LEU 126 H LEU 126 13.591 28.177 9.274 921 HA LEU 126 HA LEU 126 16.264 28.601 8.311 922 HB2 LEU 126 1HB LEU 126 14.907 30.477 9.028 923 HB3 LEU 126 2HB LEU 126 14.768 29.788 10.644 924 HG LEU 126 HG LEU 126 17.364 30.011 10.668 925 HD11 LEU 126 1HD1 LEU 126 17.993 30.664 8.565 926 HD12 LEU 126 2HD1 LEU 126 17.853 32.231 9.362 927 HD13 LEU 126 3HD1 LEU 126 16.554 31.653 8.319 928 HD21 LEU 126 1HD2 LEU 126 17.148 31.999 11.844 929 HD22 LEU 126 2HD2 LEU 126 15.527 31.310 11.942 930 HD23 LEU 126 3HD2 LEU 126 15.869 32.602 10.790 931 H GLU 127 H GLU 127 18.191 28.207 9.366 932 HA GLU 127 HA GLU 127 18.538 25.878 10.755 933 HB2 GLU 127 1HB GLU 127 20.712 26.867 11.554 934 HB3 GLU 127 2HB GLU 127 20.442 26.958 9.820 935 HG2 GLU 127 1HG GLU 127 19.619 29.309 10.187 936 HG3 GLU 127 2HG GLU 127 20.219 29.169 11.839 937 H SER 128 H SER 128 18.399 25.194 12.818 938 HA SER 128 HA SER 128 18.019 27.151 14.958 939 HB2 SER 128 1HB SER 128 16.118 24.846 14.464 940 HB3 SER 128 2HB SER 128 16.056 25.963 15.827 941 HG SER 128 HG SER 128 14.613 26.646 14.251 942 H GLY 129 H GLY 129 18.635 26.439 16.998 943 HA2 GLY 129 1HA GLY 129 19.533 23.678 17.304 944 HA3 GLY 129 2HA GLY 129 20.765 24.926 17.425 945 HA PRO 130 HA PRO 130 19.082 24.167 21.670 946 HB2 PRO 130 1HB PRO 130 21.514 24.121 22.875 947 HB3 PRO 130 2HB PRO 130 20.777 22.690 22.145 948 HG2 PRO 130 1HG PRO 130 22.864 24.522 21.030 949 HG3 PRO 130 2HG PRO 130 22.785 22.752 20.976 950 HD2 PRO 130 1HD PRO 130 22.077 24.307 18.875 951 HD3 PRO 130 2HD PRO 130 21.300 22.746 19.213 952 H SER 131 H SER 131 19.186 25.556 23.531 953 HA SER 131 HA SER 131 20.636 28.057 23.308 954 HB2 SER 131 1HB SER 131 18.621 28.555 22.021 955 HB3 SER 131 2HB SER 131 17.608 27.989 23.349 956 HG SER 131 HG SER 131 18.492 29.689 24.621 957 H SER 132 H SER 132 21.604 28.002 25.237 958 HA SER 132 HA SER 132 20.207 27.020 27.582 959 HB2 SER 132 1HB SER 132 22.641 26.517 27.079 960 HB3 SER 132 2HB SER 132 22.986 28.202 27.467 961 HG SER 132 HG SER 132 21.651 27.505 29.488 962 H GLY 133 H GLY 133 19.209 28.248 29.045 963 HA2 GLY 133 1HA GLY 133 19.518 31.170 28.819 964 HA3 GLY 133 2HA GLY 133 18.096 30.349 29.446 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -19.850 10.519 4.123 2 HA2 GLY 1 1HA GLY 1 -20.520 8.451 2.893 3 HA3 GLY 1 2HA GLY 1 -19.785 9.196 1.481 4 H SER 2 H SER 2 -19.311 7.002 3.905 5 HA SER 2 HA SER 2 -16.490 7.424 4.320 6 HB2 SER 2 1HB SER 2 -18.446 5.300 5.165 7 HB3 SER 2 2HB SER 2 -16.713 5.083 5.406 8 HG SER 2 HG SER 2 -16.864 7.252 6.456 9 H SER 3 H SER 3 -15.233 7.150 2.576 10 HA SER 3 HA SER 3 -15.726 5.444 0.419 11 HB2 SER 3 1HB SER 3 -13.348 5.798 -0.166 12 HB3 SER 3 2HB SER 3 -14.148 7.307 0.274 13 HG SER 3 HG SER 3 -11.959 6.661 1.235 14 H GLY 4 H GLY 4 -16.279 3.382 1.110 15 HA2 GLY 4 1HA GLY 4 -15.779 1.156 1.456 16 HA3 GLY 4 2HA GLY 4 -14.079 1.596 1.520 17 H SER 5 H SER 5 -13.696 0.210 3.268 18 HA SER 5 HA SER 5 -14.706 1.237 5.834 19 HB2 SER 5 1HB SER 5 -14.359 -1.671 5.067 20 HB3 SER 5 2HB SER 5 -14.731 -1.098 6.692 21 HG SER 5 HG SER 5 -16.371 -0.240 4.605 22 H SER 6 H SER 6 -12.315 2.031 4.647 23 HA SER 6 HA SER 6 -10.420 1.094 6.648 24 HB2 SER 6 1HB SER 6 -9.699 1.104 3.708 25 HB3 SER 6 2HB SER 6 -8.656 0.633 5.050 26 HG SER 6 HG SER 6 -9.658 -1.149 3.927 27 H GLY 7 H GLY 7 -8.268 2.404 6.331 28 HA2 GLY 7 1HA GLY 7 -8.951 5.142 6.627 29 HA3 GLY 7 2HA GLY 7 -7.322 4.484 6.575 30 H ASP 8 H ASP 8 -6.355 5.916 5.229 31 HA ASP 8 HA ASP 8 -7.623 6.689 2.740 32 HB2 ASP 8 1HB ASP 8 -5.159 7.502 4.220 33 HB3 ASP 8 2HB ASP 8 -5.242 7.818 2.489 34 H VAL 9 H VAL 9 -6.870 3.878 3.196 35 HA VAL 9 HA VAL 9 -4.595 3.347 1.517 36 HB VAL 9 HB VAL 9 -6.704 1.413 2.484 37 HG11 VAL 9 1HG1 VAL 9 -5.185 -0.317 1.961 38 HG12 VAL 9 2HG1 VAL 9 -5.207 0.745 0.551 39 HG13 VAL 9 3HG1 VAL 9 -3.864 0.820 1.693 40 HG21 VAL 9 1HG2 VAL 9 -4.234 2.495 3.777 41 HG22 VAL 9 2HG2 VAL 9 -5.838 2.246 4.465 42 HG23 VAL 9 3HG2 VAL 9 -4.791 0.863 4.149 43 H ILE 10 H ILE 10 -4.579 3.172 -0.624 44 HA ILE 10 HA ILE 10 -7.132 3.169 -2.054 45 HB ILE 10 HB ILE 10 -4.328 3.711 -3.037 46 HG12 ILE 10 1HG1 ILE 10 -6.623 5.654 -2.942 47 HG13 ILE 10 2HG1 ILE 10 -5.592 5.402 -1.538 48 HG21 ILE 10 1HG2 ILE 10 -5.280 4.268 -5.164 49 HG22 ILE 10 2HG2 ILE 10 -5.806 2.642 -4.731 50 HG23 ILE 10 3HG2 ILE 10 -6.914 4.003 -4.556 51 HD11 ILE 10 1HD1 ILE 10 -4.813 6.465 -4.234 52 HD12 ILE 10 2HD1 ILE 10 -4.749 7.286 -2.674 53 HD13 ILE 10 3HD1 ILE 10 -3.638 5.960 -3.019 54 H GLU 11 H GLU 11 -7.691 1.635 -3.564 55 HA GLU 11 HA GLU 11 -6.151 -0.859 -3.437 56 HB2 GLU 11 1HB GLU 11 -8.522 -0.963 -2.760 57 HB3 GLU 11 2HB GLU 11 -8.994 -0.393 -4.355 58 HG2 GLU 11 1HG GLU 11 -9.311 -2.665 -4.522 59 HG3 GLU 11 2HG GLU 11 -7.705 -2.455 -5.219 60 H LEU 12 H LEU 12 -5.292 -1.798 -5.215 61 HA LEU 12 HA LEU 12 -5.712 -0.434 -7.794 62 HB2 LEU 12 1HB LEU 12 -3.188 -1.723 -6.767 63 HB3 LEU 12 2HB LEU 12 -3.397 -1.010 -8.365 64 HG LEU 12 HG LEU 12 -3.615 0.550 -5.795 65 HD11 LEU 12 1HD1 LEU 12 -1.379 1.327 -6.176 66 HD12 LEU 12 2HD1 LEU 12 -1.258 0.391 -7.665 67 HD13 LEU 12 3HD1 LEU 12 -1.358 -0.435 -6.111 68 HD21 LEU 12 1HD2 LEU 12 -4.774 1.497 -7.746 69 HD22 LEU 12 2HD2 LEU 12 -3.265 1.433 -8.659 70 HD23 LEU 12 3HD2 LEU 12 -3.399 2.482 -7.246 71 H THR 13 H THR 13 -4.908 -1.918 -9.657 72 HA THR 13 HA THR 13 -5.787 -4.683 -9.151 73 HB THR 13 HB THR 13 -6.387 -3.412 -11.788 74 HG1 THR 13 1HG THR 13 -8.305 -3.286 -9.728 75 HG21 THR 13 1HG2 THR 13 -8.483 -5.024 -10.802 76 HG22 THR 13 2HG2 THR 13 -6.977 -5.860 -10.423 77 HG23 THR 13 3HG2 THR 13 -7.338 -5.404 -12.087 78 H ASP 14 H ASP 14 -5.235 -6.092 -11.151 79 HA ASP 14 HA ASP 14 -2.426 -6.081 -11.451 80 HB2 ASP 14 1HB ASP 14 -2.683 -8.063 -12.661 81 HB3 ASP 14 2HB ASP 14 -4.095 -8.056 -11.607 82 H ASP 15 H ASP 15 -4.821 -4.313 -13.021 83 HA ASP 15 HA ASP 15 -3.036 -3.791 -15.308 84 HB2 ASP 15 1HB ASP 15 -5.016 -4.699 -16.217 85 HB3 ASP 15 2HB ASP 15 -6.041 -3.787 -15.113 86 H SER 16 H SER 16 -5.328 -2.328 -13.035 87 HA SER 16 HA SER 16 -4.748 0.354 -13.811 88 HB2 SER 16 1HB SER 16 -5.946 -0.572 -11.193 89 HB3 SER 16 2HB SER 16 -6.116 1.014 -11.944 90 HG SER 16 HG SER 16 -7.612 -1.165 -12.304 91 H PHE 17 H PHE 17 -3.265 -1.923 -11.696 92 HA PHE 17 HA PHE 17 -2.036 -0.461 -9.761 93 HB2 PHE 17 1HB PHE 17 -1.570 -2.745 -9.704 94 HB3 PHE 17 2HB PHE 17 -1.085 -2.789 -11.396 95 HD1 PHE 17 2HD PHE 17 1.095 -1.641 -12.035 96 HD2 PHE 17 1HD PHE 17 0.016 -2.538 -8.016 97 HE1 PHE 17 2HE PHE 17 3.455 -1.456 -11.364 98 HE2 PHE 17 1HE PHE 17 2.374 -2.354 -7.338 99 HZ PHE 17 HZ PHE 17 4.097 -1.814 -9.013 100 H ASP 18 H ASP 18 -1.087 -0.677 -13.156 101 HA ASP 18 HA ASP 18 1.138 1.150 -12.735 102 HB2 ASP 18 1HB ASP 18 1.262 0.857 -15.332 103 HB3 ASP 18 2HB ASP 18 1.755 -0.467 -14.280 104 H LYS 19 H LYS 19 -2.054 1.108 -14.208 105 HA LYS 19 HA LYS 19 -1.907 3.593 -15.524 106 HB2 LYS 19 1HB LYS 19 -4.382 2.313 -14.357 107 HB3 LYS 19 2HB LYS 19 -4.314 3.483 -15.667 108 HG2 LYS 19 1HG LYS 19 -2.913 0.859 -15.932 109 HG3 LYS 19 2HG LYS 19 -4.654 0.973 -16.201 110 HD2 LYS 19 1HD LYS 19 -2.666 2.761 -17.584 111 HD3 LYS 19 2HD LYS 19 -3.187 1.212 -18.251 112 HE2 LYS 19 1HE LYS 19 -5.547 2.041 -18.077 113 HE3 LYS 19 2HE LYS 19 -4.894 3.621 -17.649 114 HZ1 LYS 19 1HZ LYS 19 -4.442 2.153 -20.190 115 HZ2 LYS 19 2HZ LYS 19 -3.691 3.612 -19.779 116 HZ3 LYS 19 3HZ LYS 19 -5.369 3.554 -19.985 117 H ASN 20 H ASN 20 -2.123 2.798 -12.213 118 HA ASN 20 HA ASN 20 -3.048 5.503 -11.529 119 HB2 ASN 20 1HB ASN 20 -3.055 2.896 -10.035 120 HB3 ASN 20 2HB ASN 20 -3.163 4.424 -9.165 121 HD21 ASN 20 1HD2 ASN 20 -4.693 2.420 -11.607 122 HD22 ASN 20 2HD2 ASN 20 -6.279 3.079 -11.420 123 H VAL 21 H VAL 21 -0.422 3.212 -11.114 124 HA VAL 21 HA VAL 21 1.065 4.968 -9.361 125 HB VAL 21 HB VAL 21 1.843 2.371 -10.692 126 HG11 VAL 21 1HG1 VAL 21 3.363 4.265 -8.966 127 HG12 VAL 21 2HG1 VAL 21 3.642 2.531 -8.787 128 HG13 VAL 21 3HG1 VAL 21 3.907 3.313 -10.347 129 HG21 VAL 21 1HG2 VAL 21 0.042 2.475 -8.839 130 HG22 VAL 21 2HG2 VAL 21 1.347 1.298 -8.691 131 HG23 VAL 21 3HG2 VAL 21 1.400 2.795 -7.761 132 H LEU 22 H LEU 22 1.870 3.474 -12.502 133 HA LEU 22 HA LEU 22 3.990 5.198 -13.098 134 HB2 LEU 22 1HB LEU 22 2.249 3.932 -15.188 135 HB3 LEU 22 2HB LEU 22 3.975 4.280 -15.260 136 HG LEU 22 HG LEU 22 2.589 2.070 -13.760 137 HD11 LEU 22 1HD1 LEU 22 3.116 1.794 -16.188 138 HD12 LEU 22 2HD1 LEU 22 3.895 0.622 -15.127 139 HD13 LEU 22 3HD1 LEU 22 4.822 1.974 -15.777 140 HD21 LEU 22 1HD2 LEU 22 4.441 3.289 -12.464 141 HD22 LEU 22 2HD2 LEU 22 5.540 2.589 -13.653 142 HD23 LEU 22 3HD2 LEU 22 4.558 1.537 -12.632 143 H ASP 23 H ASP 23 0.545 5.442 -13.778 144 HA ASP 23 HA ASP 23 0.689 7.661 -15.523 145 HB2 ASP 23 1HB ASP 23 -1.286 6.063 -15.105 146 HB3 ASP 23 2HB ASP 23 -1.650 7.085 -13.717 147 H SER 24 H SER 24 1.516 7.454 -12.334 148 HA SER 24 HA SER 24 1.035 10.332 -11.927 149 HB2 SER 24 1HB SER 24 -0.326 8.670 -10.467 150 HB3 SER 24 2HB SER 24 1.201 8.401 -9.627 151 HG SER 24 HG SER 24 -0.253 10.122 -8.805 152 H GLU 25 H GLU 25 2.755 11.534 -11.354 153 HA GLU 25 HA GLU 25 5.351 10.254 -11.345 154 HB2 GLU 25 1HB GLU 25 4.474 13.139 -11.292 155 HB3 GLU 25 2HB GLU 25 6.161 12.658 -11.173 156 HG2 GLU 25 1HG GLU 25 5.690 11.356 -13.358 157 HG3 GLU 25 2HG GLU 25 4.288 12.418 -13.485 158 H ASP 26 H ASP 26 3.521 9.837 -9.079 159 HA ASP 26 HA ASP 26 5.196 10.967 -6.932 160 HB2 ASP 26 1HB ASP 26 2.241 10.432 -7.049 161 HB3 ASP 26 2HB ASP 26 3.083 10.481 -5.502 162 H VAL 27 H VAL 27 5.479 9.612 -5.036 163 HA VAL 27 HA VAL 27 6.149 6.935 -5.740 164 HB VAL 27 HB VAL 27 6.024 8.139 -2.973 165 HG11 VAL 27 1HG1 VAL 27 6.350 5.945 -2.502 166 HG12 VAL 27 2HG1 VAL 27 7.030 5.590 -4.091 167 HG13 VAL 27 3HG1 VAL 27 8.022 6.372 -2.861 168 HG21 VAL 27 1HG2 VAL 27 7.447 9.554 -4.210 169 HG22 VAL 27 2HG2 VAL 27 8.517 8.443 -3.355 170 HG23 VAL 27 3HG2 VAL 27 8.179 8.199 -5.069 171 H TRP 28 H TRP 28 4.952 5.154 -5.638 172 HA TRP 28 HA TRP 28 2.452 5.242 -4.079 173 HB2 TRP 28 1HB TRP 28 3.085 4.097 -6.770 174 HB3 TRP 28 2HB TRP 28 1.838 3.331 -5.789 175 HD1 TRP 28 HD TRP 28 2.611 6.640 -7.585 176 HE1 TRP 28 1HE TRP 28 0.397 7.902 -7.950 177 HE3 TRP 28 3HE TRP 28 -0.514 3.581 -4.937 178 HZ2 TRP 28 2HZ TRP 28 -2.314 7.636 -7.213 179 HZ3 TRP 28 3HZ TRP 28 -2.903 4.155 -4.816 180 HH2 TRP 28 HH TRP 28 -3.783 6.142 -5.930 181 H MET 29 H MET 29 2.676 4.097 -2.274 182 HA MET 29 HA MET 29 4.542 1.898 -2.107 183 HB2 MET 29 1HB MET 29 2.865 3.436 -0.194 184 HB3 MET 29 2HB MET 29 3.312 1.799 0.264 185 HG2 MET 29 1HG MET 29 5.696 2.429 -0.175 186 HG3 MET 29 2HG MET 29 5.147 4.092 -0.363 187 HE1 MET 29 1HE MET 29 6.132 1.266 1.921 188 HE2 MET 29 2HE MET 29 7.281 2.604 1.915 189 HE3 MET 29 3HE MET 29 6.435 2.174 3.403 190 H VAL 30 H VAL 30 3.887 0.112 -3.171 191 HA VAL 30 HA VAL 30 1.119 -0.778 -2.964 192 HB VAL 30 HB VAL 30 3.369 -2.101 -4.478 193 HG11 VAL 30 1HG1 VAL 30 0.487 -2.583 -4.164 194 HG12 VAL 30 2HG1 VAL 30 1.079 -2.636 -5.825 195 HG13 VAL 30 3HG1 VAL 30 1.785 -3.694 -4.602 196 HG21 VAL 30 1HG2 VAL 30 2.073 0.397 -4.994 197 HG22 VAL 30 2HG2 VAL 30 3.334 -0.414 -5.923 198 HG23 VAL 30 3HG2 VAL 30 1.636 -0.763 -6.249 199 H GLU 31 H GLU 31 0.478 -2.191 -1.486 200 HA GLU 31 HA GLU 31 2.485 -3.997 -0.304 201 HB2 GLU 31 1HB GLU 31 1.912 -2.473 1.409 202 HB3 GLU 31 2HB GLU 31 0.206 -2.515 0.988 203 HG2 GLU 31 1HG GLU 31 1.524 -5.022 1.896 204 HG3 GLU 31 2HG GLU 31 1.115 -3.787 3.085 205 H PHE 32 H PHE 32 2.086 -6.103 -0.483 206 HA PHE 32 HA PHE 32 -0.523 -6.938 -1.518 207 HB2 PHE 32 1HB PHE 32 2.031 -8.548 -1.333 208 HB3 PHE 32 2HB PHE 32 0.573 -8.980 -2.220 209 HD1 PHE 32 2HD PHE 32 3.322 -6.500 -2.070 210 HD2 PHE 32 1HD PHE 32 0.275 -8.302 -4.433 211 HE1 PHE 32 2HE PHE 32 4.215 -5.379 -4.070 212 HE2 PHE 32 1HE PHE 32 1.164 -7.185 -6.437 213 HZ PHE 32 HZ PHE 32 3.135 -5.720 -6.257 214 H TYR 33 H TYR 33 -1.959 -7.849 -0.217 215 HA TYR 33 HA TYR 33 -1.003 -9.305 2.154 216 HB2 TYR 33 1HB TYR 33 -2.620 -8.312 3.553 217 HB3 TYR 33 2HB TYR 33 -1.941 -6.972 2.636 218 HD1 TYR 33 1HD TYR 33 -4.821 -9.332 2.687 219 HD2 TYR 33 2HD TYR 33 -3.346 -5.540 1.442 220 HE1 TYR 33 1HE TYR 33 -7.081 -8.701 1.950 221 HE2 TYR 33 2HE TYR 33 -5.602 -4.899 0.703 222 HH TYR 33 HH TYR 33 -8.262 -7.197 0.713 223 H ALA 34 H ALA 34 -2.829 -10.668 3.112 224 HA ALA 34 HA ALA 34 -4.441 -11.832 0.935 225 HB1 ALA 34 1HB ALA 34 -2.738 -13.170 2.995 226 HB2 ALA 34 2HB ALA 34 -4.143 -14.004 2.329 227 HB3 ALA 34 3HB ALA 34 -2.845 -13.471 1.260 228 HA PRO 35 HA PRO 35 -7.846 -10.952 3.628 229 HB2 PRO 35 1HB PRO 35 -9.730 -12.331 2.242 230 HB3 PRO 35 2HB PRO 35 -9.101 -10.767 1.712 231 HG2 PRO 35 1HG PRO 35 -8.352 -13.518 0.799 232 HG3 PRO 35 2HG PRO 35 -8.622 -12.053 -0.165 233 HD2 PRO 35 1HD PRO 35 -6.145 -12.941 0.474 234 HD3 PRO 35 2HD PRO 35 -6.523 -11.217 0.289 235 H TRP 36 H TRP 36 -6.386 -13.954 3.145 236 HA TRP 36 HA TRP 36 -8.051 -15.164 5.255 237 HB2 TRP 36 1HB TRP 36 -7.153 -17.376 4.179 238 HB3 TRP 36 2HB TRP 36 -8.521 -16.539 3.450 239 HD1 TRP 36 HD TRP 36 -8.325 -16.181 0.927 240 HE1 TRP 36 1HE TRP 36 -6.407 -16.137 -0.789 241 HE3 TRP 36 3HE TRP 36 -4.366 -16.696 4.120 242 HZ2 TRP 36 2HZ TRP 36 -3.589 -16.300 -0.789 243 HZ3 TRP 36 3HZ TRP 36 -2.092 -16.743 3.181 244 HH2 TRP 36 HH TRP 36 -1.714 -16.549 0.777 245 H CYS 37 H CYS 37 -5.398 -13.590 5.114 246 HA CYS 37 HA CYS 37 -3.790 -15.534 6.637 247 HB2 CYS 37 1HB CYS 37 -2.792 -14.712 4.471 248 HB3 CYS 37 2HB CYS 37 -2.740 -13.103 5.181 249 HG CYS 37 HG CYS 37 -0.594 -15.574 5.478 250 H GLY 38 H GLY 38 -3.550 -15.118 8.729 251 HA2 GLY 38 1HA GLY 38 -4.717 -12.913 10.008 252 HA3 GLY 38 2HA GLY 38 -3.559 -14.013 10.740 253 H HIS 39 H HIS 39 -1.431 -13.431 8.868 254 HA HIS 39 HA HIS 39 -0.110 -11.397 10.210 255 HB2 HIS 39 1HB HIS 39 0.289 -12.618 7.490 256 HB3 HIS 39 2HB HIS 39 1.332 -11.320 8.064 257 HD1 HIS 39 1HD HIS 39 3.026 -11.889 9.906 258 HD2 HIS 39 2HD HIS 39 0.620 -15.090 8.798 259 HE1 HIS 39 1HE HIS 39 4.084 -13.918 10.948 260 HE2 HIS 39 2HE HIS 39 2.660 -15.853 10.194 261 H CYS 40 H CYS 40 -2.519 -11.181 7.783 262 HA CYS 40 HA CYS 40 -1.843 -8.411 7.141 263 HB2 CYS 40 1HB CYS 40 -2.429 -9.472 5.167 264 HB3 CYS 40 2HB CYS 40 -3.655 -10.467 5.944 265 HG CYS 40 HG CYS 40 -4.371 -7.206 6.008 266 H LYS 41 H LYS 41 -4.632 -10.286 8.318 267 HA LYS 41 HA LYS 41 -6.459 -8.348 8.814 268 HB2 LYS 41 1HB LYS 41 -7.509 -9.832 10.207 269 HB3 LYS 41 2HB LYS 41 -6.379 -10.928 9.422 270 HG2 LYS 41 1HG LYS 41 -4.888 -10.823 11.303 271 HG3 LYS 41 2HG LYS 41 -5.885 -9.587 12.072 272 HD2 LYS 41 1HD LYS 41 -7.001 -12.281 11.359 273 HD3 LYS 41 2HD LYS 41 -6.135 -12.014 12.874 274 HE2 LYS 41 1HE LYS 41 -8.506 -10.382 11.980 275 HE3 LYS 41 2HE LYS 41 -8.627 -11.795 13.027 276 HZ1 LYS 41 1HZ LYS 41 -6.693 -10.212 14.166 277 HZ2 LYS 41 2HZ LYS 41 -8.280 -10.420 14.713 278 HZ3 LYS 41 3HZ LYS 41 -7.901 -9.128 13.689 279 H ASN 42 H ASN 42 -3.466 -8.864 10.522 280 HA ASN 42 HA ASN 42 -4.154 -6.991 12.630 281 HB2 ASN 42 1HB ASN 42 -2.821 -8.684 13.491 282 HB3 ASN 42 2HB ASN 42 -1.815 -8.768 12.048 283 HD21 ASN 42 1HD2 ASN 42 0.170 -8.403 12.779 284 HD22 ASN 42 2HD2 ASN 42 0.656 -7.025 13.702 285 H LEU 43 H LEU 43 -2.377 -7.058 9.635 286 HA LEU 43 HA LEU 43 -1.039 -4.548 10.097 287 HB2 LEU 43 1HB LEU 43 0.118 -6.060 8.716 288 HB3 LEU 43 2HB LEU 43 -1.308 -6.375 7.730 289 HG LEU 43 HG LEU 43 -1.072 -3.874 7.056 290 HD11 LEU 43 1HD1 LEU 43 0.771 -3.609 8.835 291 HD12 LEU 43 2HD1 LEU 43 1.016 -2.876 7.250 292 HD13 LEU 43 3HD1 LEU 43 1.815 -4.396 7.651 293 HD21 LEU 43 1HD2 LEU 43 0.776 -4.638 5.381 294 HD22 LEU 43 2HD2 LEU 43 -0.822 -5.384 5.336 295 HD23 LEU 43 3HD2 LEU 43 0.521 -6.219 6.121 296 H GLU 44 H GLU 44 -4.058 -5.598 8.793 297 HA GLU 44 HA GLU 44 -4.873 -3.821 6.972 298 HB2 GLU 44 1HB GLU 44 -6.625 -5.142 7.583 299 HB3 GLU 44 2HB GLU 44 -6.232 -5.056 9.295 300 HG2 GLU 44 1HG GLU 44 -8.337 -3.984 8.918 301 HG3 GLU 44 2HG GLU 44 -7.143 -2.764 9.354 302 HA PRO 45 HA PRO 45 -5.717 -0.305 10.172 303 HB2 PRO 45 1HB PRO 45 -4.802 -0.670 12.702 304 HB3 PRO 45 2HB PRO 45 -6.410 -1.183 12.179 305 HG2 PRO 45 1HG PRO 45 -3.911 -2.803 12.484 306 HG3 PRO 45 2HG PRO 45 -5.572 -3.208 12.957 307 HD2 PRO 45 1HD PRO 45 -4.427 -4.160 10.696 308 HD3 PRO 45 2HD PRO 45 -6.166 -3.820 10.816 309 H GLU 46 H GLU 46 -2.726 -2.115 10.796 310 HA GLU 46 HA GLU 46 -1.070 0.044 11.420 311 HB2 GLU 46 1HB GLU 46 -0.494 -2.636 10.168 312 HB3 GLU 46 2HB GLU 46 0.780 -1.482 10.535 313 HG2 GLU 46 1HG GLU 46 -1.161 -2.478 12.598 314 HG3 GLU 46 2HG GLU 46 0.371 -3.278 12.250 315 H TRP 47 H TRP 47 -2.182 -1.174 8.340 316 HA TRP 47 HA TRP 47 -0.353 0.485 6.827 317 HB2 TRP 47 1HB TRP 47 -1.155 -1.798 6.076 318 HB3 TRP 47 2HB TRP 47 -2.726 -1.061 5.777 319 HD1 TRP 47 HD TRP 47 -3.072 -0.081 3.431 320 HE1 TRP 47 1HE TRP 47 -1.544 0.510 1.446 321 HE3 TRP 47 3HE TRP 47 1.471 -0.901 5.629 322 HZ2 TRP 47 2HZ TRP 47 1.221 0.615 0.885 323 HZ3 TRP 47 3HZ TRP 47 3.508 -0.533 4.300 324 HH2 TRP 47 HH TRP 47 3.383 0.209 1.977 325 H ALA 48 H ALA 48 -3.766 0.457 7.709 326 HA ALA 48 HA ALA 48 -4.657 2.541 6.075 327 HB1 ALA 48 1HB ALA 48 -6.358 1.349 7.089 328 HB2 ALA 48 2HB ALA 48 -5.598 1.414 8.680 329 HB3 ALA 48 3HB ALA 48 -6.361 2.855 8.008 330 H ALA 49 H ALA 49 -3.694 2.711 9.510 331 HA ALA 49 HA ALA 49 -3.833 5.472 9.791 332 HB1 ALA 49 1HB ALA 49 -3.614 3.998 11.697 333 HB2 ALA 49 2HB ALA 49 -1.991 3.533 11.184 334 HB3 ALA 49 3HB ALA 49 -2.310 5.187 11.705 335 H ALA 50 H ALA 50 -0.978 3.483 9.017 336 HA ALA 50 HA ALA 50 0.937 5.429 8.795 337 HB1 ALA 50 1HB ALA 50 1.121 3.494 6.625 338 HB2 ALA 50 2HB ALA 50 2.210 3.784 7.982 339 HB3 ALA 50 3HB ALA 50 0.794 2.753 8.192 340 H ALA 51 H ALA 51 -1.532 4.554 6.433 341 HA ALA 51 HA ALA 51 -0.599 6.048 4.262 342 HB1 ALA 51 1HB ALA 51 -2.708 5.742 3.292 343 HB2 ALA 51 2HB ALA 51 -2.490 4.334 4.333 344 HB3 ALA 51 3HB ALA 51 -3.516 5.669 4.858 345 H SER 52 H SER 52 -2.843 6.956 6.865 346 HA SER 52 HA SER 52 -3.287 9.592 5.922 347 HB2 SER 52 1HB SER 52 -3.837 8.113 8.456 348 HB3 SER 52 2HB SER 52 -3.919 9.874 8.489 349 HG SER 52 HG SER 52 -5.256 8.379 6.504 350 H GLU 53 H GLU 53 -1.064 8.217 8.309 351 HA GLU 53 HA GLU 53 0.019 10.676 9.184 352 HB2 GLU 53 1HB GLU 53 0.318 8.739 10.554 353 HB3 GLU 53 2HB GLU 53 1.093 7.858 9.245 354 HG2 GLU 53 1HG GLU 53 2.847 8.469 10.638 355 HG3 GLU 53 2HG GLU 53 2.899 9.659 9.339 356 H VAL 54 H VAL 54 0.724 8.582 6.481 357 HA VAL 54 HA VAL 54 3.207 9.890 5.819 358 HB VAL 54 HB VAL 54 1.531 7.935 4.239 359 HG11 VAL 54 1HG1 VAL 54 3.394 9.637 3.203 360 HG12 VAL 54 2HG1 VAL 54 4.370 8.215 3.579 361 HG13 VAL 54 3HG1 VAL 54 2.966 8.068 2.521 362 HG21 VAL 54 1HG2 VAL 54 2.534 6.292 5.361 363 HG22 VAL 54 2HG2 VAL 54 4.123 7.030 5.163 364 HG23 VAL 54 3HG2 VAL 54 3.084 7.521 6.500 365 H LYS 55 H LYS 55 -0.135 9.972 4.689 366 HA LYS 55 HA LYS 55 0.332 11.671 2.465 367 HB2 LYS 55 1HB LYS 55 -1.691 10.629 2.234 368 HB3 LYS 55 2HB LYS 55 -2.042 10.691 3.956 369 HG2 LYS 55 1HG LYS 55 -2.485 13.126 3.715 370 HG3 LYS 55 2HG LYS 55 -2.293 12.938 1.970 371 HD2 LYS 55 1HD LYS 55 -4.136 11.323 1.946 372 HD3 LYS 55 2HD LYS 55 -4.327 11.516 3.691 373 HE2 LYS 55 1HE LYS 55 -5.238 13.612 3.495 374 HE3 LYS 55 2HE LYS 55 -4.418 13.944 1.970 375 HZ1 LYS 55 1HZ LYS 55 -6.883 12.403 2.448 376 HZ2 LYS 55 2HZ LYS 55 -5.953 12.107 1.066 377 HZ3 LYS 55 3HZ LYS 55 -6.601 13.646 1.335 378 H GLU 56 H GLU 56 -0.368 12.242 5.855 379 HA GLU 56 HA GLU 56 -0.862 15.045 5.553 380 HB2 GLU 56 1HB GLU 56 -1.118 15.113 7.869 381 HB3 GLU 56 2HB GLU 56 -1.620 13.478 7.461 382 HG2 GLU 56 1HG GLU 56 0.500 12.595 8.172 383 HG3 GLU 56 2HG GLU 56 1.123 14.220 8.448 384 H GLN 57 H GLN 57 1.943 13.050 6.116 385 HA GLN 57 HA GLN 57 3.633 15.293 6.813 386 HB2 GLN 57 1HB GLN 57 4.111 12.349 6.427 387 HB3 GLN 57 2HB GLN 57 5.450 13.475 6.604 388 HG2 GLN 57 1HG GLN 57 4.492 14.198 8.770 389 HG3 GLN 57 2HG GLN 57 3.259 12.950 8.597 390 HE21 GLN 57 1HE2 GLN 57 4.248 10.726 8.076 391 HE22 GLN 57 2HE2 GLN 57 5.588 10.262 9.063 392 H THR 58 H THR 58 3.573 12.910 4.160 393 HA THR 58 HA THR 58 5.433 14.390 2.574 394 HB THR 58 HB THR 58 5.119 12.746 0.882 395 HG1 THR 58 1HG THR 58 2.899 11.639 2.242 396 HG21 THR 58 1HG2 THR 58 5.608 10.739 2.032 397 HG22 THR 58 2HG2 THR 58 4.662 11.224 3.439 398 HG23 THR 58 3HG2 THR 58 6.186 12.035 3.079 399 H LYS 59 H LYS 59 2.417 15.186 3.383 400 HA LYS 59 HA LYS 59 0.851 16.611 2.553 401 HB2 LYS 59 1HB LYS 59 2.991 17.193 0.498 402 HB3 LYS 59 2HB LYS 59 1.538 18.152 0.743 403 HG2 LYS 59 1HG LYS 59 3.520 17.680 2.944 404 HG3 LYS 59 2HG LYS 59 3.690 19.003 1.789 405 HD2 LYS 59 1HD LYS 59 1.487 19.850 2.436 406 HD3 LYS 59 2HD LYS 59 1.312 18.522 3.586 407 HE2 LYS 59 1HE LYS 59 3.484 20.614 3.666 408 HE3 LYS 59 2HE LYS 59 2.021 20.638 4.649 409 HZ1 LYS 59 1HZ LYS 59 3.035 18.171 5.111 410 HZ2 LYS 59 2HZ LYS 59 3.232 19.513 6.122 411 HZ3 LYS 59 3HZ LYS 59 4.433 19.117 4.997 412 H GLY 60 H GLY 60 0.933 13.834 1.668 413 HA2 GLY 60 1HA GLY 60 -0.614 12.665 0.356 414 HA3 GLY 60 2HA GLY 60 -0.874 14.120 -0.594 415 H LYS 61 H LYS 61 2.286 14.116 -0.582 416 HA LYS 61 HA LYS 61 2.672 13.357 -3.202 417 HB2 LYS 61 1HB LYS 61 4.381 14.636 -2.232 418 HB3 LYS 61 2HB LYS 61 4.545 13.546 -0.862 419 HG2 LYS 61 1HG LYS 61 6.450 13.350 -2.340 420 HG3 LYS 61 2HG LYS 61 5.520 11.849 -2.331 421 HD2 LYS 61 1HD LYS 61 5.826 12.088 -4.581 422 HD3 LYS 61 2HD LYS 61 4.329 13.006 -4.396 423 HE2 LYS 61 1HE LYS 61 7.060 14.267 -4.277 424 HE3 LYS 61 2HE LYS 61 6.142 14.102 -5.773 425 HZ1 LYS 61 1HZ LYS 61 5.632 16.222 -5.001 426 HZ2 LYS 61 2HZ LYS 61 5.495 15.724 -3.391 427 HZ3 LYS 61 3HZ LYS 61 4.302 15.299 -4.511 428 H VAL 62 H VAL 62 3.906 11.454 -0.449 429 HA VAL 62 HA VAL 62 4.096 9.086 -2.066 430 HB VAL 62 HB VAL 62 4.392 9.323 0.930 431 HG11 VAL 62 1HG1 VAL 62 5.082 7.185 0.963 432 HG12 VAL 62 2HG1 VAL 62 4.191 7.061 -0.556 433 HG13 VAL 62 3HG1 VAL 62 5.935 7.329 -0.574 434 HG21 VAL 62 1HG2 VAL 62 5.911 10.863 -0.171 435 HG22 VAL 62 2HG2 VAL 62 6.808 9.497 0.493 436 HG23 VAL 62 3HG2 VAL 62 6.476 9.576 -1.237 437 H LYS 63 H LYS 63 2.215 8.190 -2.679 438 HA LYS 63 HA LYS 63 -0.018 8.020 -0.825 439 HB2 LYS 63 1HB LYS 63 0.350 7.427 -3.744 440 HB3 LYS 63 2HB LYS 63 -1.053 6.806 -2.884 441 HG2 LYS 63 1HG LYS 63 -1.677 9.087 -2.259 442 HG3 LYS 63 2HG LYS 63 -0.275 9.705 -3.136 443 HD2 LYS 63 1HD LYS 63 -1.158 9.057 -5.216 444 HD3 LYS 63 2HD LYS 63 -2.358 7.998 -4.471 445 HE2 LYS 63 1HE LYS 63 -2.340 10.977 -4.054 446 HE3 LYS 63 2HE LYS 63 -3.197 10.213 -5.391 447 HZ1 LYS 63 1HZ LYS 63 -4.270 10.669 -2.988 448 HZ2 LYS 63 2HZ LYS 63 -3.732 9.079 -2.782 449 HZ3 LYS 63 3HZ LYS 63 -4.799 9.454 -4.040 450 H LEU 64 H LEU 64 -1.034 6.045 -0.248 451 HA LEU 64 HA LEU 64 0.733 3.693 -0.424 452 HB2 LEU 64 1HB LEU 64 -0.721 4.897 1.862 453 HB3 LEU 64 2HB LEU 64 -0.644 3.138 1.788 454 HG LEU 64 HG LEU 64 1.874 3.395 1.628 455 HD11 LEU 64 1HD1 LEU 64 1.566 5.910 1.071 456 HD12 LEU 64 2HD1 LEU 64 2.911 5.404 2.092 457 HD13 LEU 64 3HD1 LEU 64 1.466 6.103 2.821 458 HD21 LEU 64 1HD2 LEU 64 0.179 3.202 3.781 459 HD22 LEU 64 2HD2 LEU 64 1.241 4.535 4.233 460 HD23 LEU 64 3HD2 LEU 64 1.926 2.963 3.818 461 H ALA 65 H ALA 65 -0.118 1.973 -1.383 462 HA ALA 65 HA ALA 65 -3.044 1.662 -1.404 463 HB1 ALA 65 1HB ALA 65 -2.014 2.562 -3.580 464 HB2 ALA 65 2HB ALA 65 -1.384 0.927 -3.789 465 HB3 ALA 65 3HB ALA 65 -3.124 1.195 -3.685 466 H ALA 66 H ALA 66 -3.723 -0.581 -1.970 467 HA ALA 66 HA ALA 66 -1.744 -2.567 -1.060 468 HB1 ALA 66 1HB ALA 66 -4.683 -2.658 -0.408 469 HB2 ALA 66 2HB ALA 66 -3.404 -3.698 0.221 470 HB3 ALA 66 3HB ALA 66 -3.458 -1.994 0.674 471 H VAL 67 H VAL 67 -2.222 -4.792 -1.745 472 HA VAL 67 HA VAL 67 -3.941 -5.029 -4.097 473 HB VAL 67 HB VAL 67 -1.019 -5.800 -4.125 474 HG11 VAL 67 1HG1 VAL 67 -3.249 -6.781 -5.616 475 HG12 VAL 67 2HG1 VAL 67 -2.165 -5.904 -6.698 476 HG13 VAL 67 3HG1 VAL 67 -1.551 -7.242 -5.726 477 HG21 VAL 67 1HG2 VAL 67 -0.771 -4.101 -5.841 478 HG22 VAL 67 2HG2 VAL 67 -2.483 -3.697 -5.718 479 HG23 VAL 67 3HG2 VAL 67 -1.403 -3.381 -4.360 480 H ASP 68 H ASP 68 -4.772 -7.056 -4.418 481 HA ASP 68 HA ASP 68 -4.363 -8.949 -2.236 482 HB2 ASP 68 1HB ASP 68 -6.356 -9.341 -4.443 483 HB3 ASP 68 2HB ASP 68 -6.444 -9.856 -2.761 484 H ALA 69 H ALA 69 -2.619 -10.200 -2.577 485 HA ALA 69 HA ALA 69 -1.585 -10.985 -5.051 486 HB1 ALA 69 1HB ALA 69 -0.874 -11.304 -2.383 487 HB2 ALA 69 2HB ALA 69 -1.060 -12.947 -2.997 488 HB3 ALA 69 3HB ALA 69 0.045 -11.827 -3.795 489 H THR 70 H THR 70 -4.407 -11.992 -3.514 490 HA THR 70 HA THR 70 -4.436 -14.681 -4.581 491 HB THR 70 HB THR 70 -6.535 -14.963 -3.530 492 HG1 THR 70 1HG THR 70 -7.928 -13.381 -3.550 493 HG21 THR 70 1HG2 THR 70 -6.170 -14.125 -1.235 494 HG22 THR 70 2HG2 THR 70 -4.889 -13.075 -1.843 495 HG23 THR 70 3HG2 THR 70 -4.711 -14.827 -1.933 496 H VAL 71 H VAL 71 -5.168 -11.577 -5.721 497 HA VAL 71 HA VAL 71 -6.798 -12.710 -7.902 498 HB VAL 71 HB VAL 71 -6.888 -9.904 -6.785 499 HG11 VAL 71 1HG1 VAL 71 -7.657 -10.963 -9.353 500 HG12 VAL 71 2HG1 VAL 71 -9.058 -10.329 -8.487 501 HG13 VAL 71 3HG1 VAL 71 -7.658 -9.295 -8.780 502 HG21 VAL 71 1HG2 VAL 71 -7.986 -11.596 -5.376 503 HG22 VAL 71 2HG2 VAL 71 -9.142 -10.465 -6.079 504 HG23 VAL 71 3HG2 VAL 71 -8.972 -12.086 -6.754 505 H ASN 72 H ASN 72 -4.217 -10.491 -7.015 506 HA ASN 72 HA ASN 72 -3.665 -9.824 -9.784 507 HB2 ASN 72 1HB ASN 72 -2.459 -8.998 -7.151 508 HB3 ASN 72 2HB ASN 72 -1.687 -8.591 -8.681 509 HD21 ASN 72 1HD2 ASN 72 -4.774 -8.367 -6.971 510 HD22 ASN 72 2HD2 ASN 72 -5.238 -6.847 -7.648 511 H GLN 73 H GLN 73 -2.677 -11.314 -10.982 512 HA GLN 73 HA GLN 73 -0.585 -12.968 -9.747 513 HB2 GLN 73 1HB GLN 73 -2.178 -13.396 -12.280 514 HB3 GLN 73 2HB GLN 73 -0.899 -14.460 -11.711 515 HG2 GLN 73 1HG GLN 73 -3.186 -13.851 -9.906 516 HG3 GLN 73 2HG GLN 73 -3.409 -14.996 -11.228 517 HE21 GLN 73 1HE2 GLN 73 -3.020 -15.003 -8.117 518 HE22 GLN 73 2HE2 GLN 73 -1.983 -16.365 -7.884 519 H VAL 74 H VAL 74 -1.294 -10.889 -12.507 520 HA VAL 74 HA VAL 74 1.040 -11.173 -13.967 521 HB VAL 74 HB VAL 74 -0.502 -8.608 -13.548 522 HG11 VAL 74 1HG1 VAL 74 0.379 -8.373 -16.024 523 HG12 VAL 74 2HG1 VAL 74 1.367 -7.880 -14.648 524 HG13 VAL 74 3HG1 VAL 74 1.651 -9.437 -15.426 525 HG21 VAL 74 1HG2 VAL 74 -1.729 -10.746 -14.349 526 HG22 VAL 74 2HG2 VAL 74 -1.961 -9.239 -15.236 527 HG23 VAL 74 3HG2 VAL 74 -0.865 -10.471 -15.862 528 H LEU 75 H LEU 75 0.378 -8.859 -11.342 529 HA LEU 75 HA LEU 75 3.035 -7.814 -11.338 530 HB2 LEU 75 1HB LEU 75 1.121 -7.628 -9.038 531 HB3 LEU 75 2HB LEU 75 2.364 -6.481 -9.533 532 HG LEU 75 HG LEU 75 -0.162 -7.025 -11.090 533 HD11 LEU 75 1HD1 LEU 75 -1.185 -5.230 -10.082 534 HD12 LEU 75 2HD1 LEU 75 0.338 -4.522 -9.545 535 HD13 LEU 75 3HD1 LEU 75 -0.313 -5.940 -8.723 536 HD21 LEU 75 1HD2 LEU 75 1.691 -4.672 -11.315 537 HD22 LEU 75 2HD2 LEU 75 0.440 -5.203 -12.439 538 HD23 LEU 75 3HD2 LEU 75 1.924 -6.141 -12.263 539 H ALA 76 H ALA 76 1.252 -9.983 -9.150 540 HA ALA 76 HA ALA 76 3.209 -10.470 -7.274 541 HB1 ALA 76 1HB ALA 76 0.924 -12.063 -8.320 542 HB2 ALA 76 2HB ALA 76 2.086 -12.851 -7.252 543 HB3 ALA 76 3HB ALA 76 1.210 -11.424 -6.701 544 H SER 77 H SER 77 2.870 -11.819 -10.500 545 HA SER 77 HA SER 77 5.042 -13.692 -10.117 546 HB2 SER 77 1HB SER 77 3.082 -13.094 -12.266 547 HB3 SER 77 2HB SER 77 4.629 -13.770 -12.775 548 HG SER 77 HG SER 77 4.054 -15.287 -10.850 549 H ARG 78 H ARG 78 4.577 -10.485 -11.346 550 HA ARG 78 HA ARG 78 6.875 -10.278 -12.963 551 HB2 ARG 78 1HB ARG 78 4.874 -8.677 -12.791 552 HB3 ARG 78 2HB ARG 78 5.699 -7.993 -11.397 553 HG2 ARG 78 1HG ARG 78 7.710 -7.753 -13.006 554 HG3 ARG 78 2HG ARG 78 6.497 -7.942 -14.274 555 HD2 ARG 78 1HD ARG 78 5.331 -6.008 -13.581 556 HD3 ARG 78 2HD ARG 78 6.213 -5.933 -12.056 557 HE ARG 78 HE ARG 78 7.822 -4.732 -13.129 558 HH11 ARG 78 2HH1 ARG 78 6.049 -6.562 -15.502 559 HH12 ARG 78 1HH1 ARG 78 6.888 -5.871 -16.851 560 HH21 ARG 78 2HH2 ARG 78 8.933 -3.815 -14.898 561 HH22 ARG 78 1HH2 ARG 78 8.528 -4.309 -16.507 562 H TYR 79 H TYR 79 6.332 -9.656 -9.523 563 HA TYR 79 HA TYR 79 9.235 -9.285 -9.192 564 HB2 TYR 79 1HB TYR 79 7.073 -8.463 -7.249 565 HB3 TYR 79 2HB TYR 79 8.776 -8.022 -7.201 566 HD1 TYR 79 1HD TYR 79 9.688 -6.470 -8.943 567 HD2 TYR 79 2HD TYR 79 5.519 -7.216 -8.533 568 HE1 TYR 79 1HE TYR 79 9.203 -4.437 -10.239 569 HE2 TYR 79 2HE TYR 79 5.023 -5.186 -9.829 570 HH TYR 79 HH TYR 79 6.648 -3.788 -11.754 571 H GLY 80 H GLY 80 6.519 -11.246 -8.391 572 HA2 GLY 80 1HA GLY 80 6.630 -13.426 -7.543 573 HA3 GLY 80 2HA GLY 80 8.276 -13.112 -7.013 574 H ILE 81 H ILE 81 4.894 -12.313 -6.300 575 HA ILE 81 HA ILE 81 5.647 -11.724 -3.529 576 HB ILE 81 HB ILE 81 2.958 -11.333 -4.841 577 HG12 ILE 81 1HG1 ILE 81 4.787 -9.985 -5.895 578 HG13 ILE 81 2HG1 ILE 81 3.536 -9.012 -5.129 579 HG21 ILE 81 1HG2 ILE 81 3.987 -10.993 -2.137 580 HG22 ILE 81 2HG2 ILE 81 3.194 -9.550 -2.767 581 HG23 ILE 81 3HG2 ILE 81 2.323 -11.083 -2.714 582 HD11 ILE 81 1HD1 ILE 81 4.926 -8.302 -3.455 583 HD12 ILE 81 2HD1 ILE 81 5.978 -9.712 -3.581 584 HD13 ILE 81 3HD1 ILE 81 6.056 -8.442 -4.802 585 H ARG 82 H ARG 82 5.806 -13.596 -2.425 586 HA ARG 82 HA ARG 82 3.459 -15.376 -2.462 587 HB2 ARG 82 1HB ARG 82 4.952 -17.274 -2.050 588 HB3 ARG 82 2HB ARG 82 5.354 -16.467 -3.559 589 HG2 ARG 82 1HG ARG 82 7.037 -15.169 -1.966 590 HG3 ARG 82 2HG ARG 82 6.895 -16.665 -1.041 591 HD2 ARG 82 1HD ARG 82 7.343 -16.872 -3.971 592 HD3 ARG 82 2HD ARG 82 8.697 -16.360 -2.964 593 HE ARG 82 HE ARG 82 7.413 -18.698 -1.945 594 HH11 ARG 82 2HH1 ARG 82 9.703 -17.547 -4.302 595 HH12 ARG 82 1HH1 ARG 82 10.565 -19.047 -4.389 596 HH21 ARG 82 2HH2 ARG 82 8.540 -20.679 -2.052 597 HH22 ARG 82 1HH2 ARG 82 9.902 -20.828 -3.109 598 H GLY 83 H GLY 83 5.920 -13.749 -0.607 599 HA2 GLY 83 1HA GLY 83 4.787 -14.828 1.887 600 HA3 GLY 83 2HA GLY 83 6.359 -14.057 1.735 601 H PHE 84 H PHE 84 3.029 -13.613 2.375 602 HA PHE 84 HA PHE 84 3.274 -10.696 2.277 603 HB2 PHE 84 1HB PHE 84 0.733 -12.035 3.078 604 HB3 PHE 84 2HB PHE 84 0.981 -10.575 2.125 605 HD1 PHE 84 2HD PHE 84 2.942 -11.763 0.136 606 HD2 PHE 84 1HD PHE 84 -0.781 -13.153 1.660 607 HE1 PHE 84 2HE PHE 84 2.581 -13.051 -1.929 608 HE2 PHE 84 1HE PHE 84 -1.147 -14.444 -0.402 609 HZ PHE 84 HZ PHE 84 0.535 -14.393 -2.201 610 HA PRO 85 HA PRO 85 1.761 -9.091 3.183 611 HB2 PRO 85 1HB PRO 85 2.762 -6.910 4.452 612 HB3 PRO 85 2HB PRO 85 1.254 -7.695 4.936 613 HG2 PRO 85 1HG PRO 85 3.993 -7.965 6.114 614 HG3 PRO 85 2HG PRO 85 2.431 -7.808 6.939 615 HD2 PRO 85 1HD PRO 85 3.685 -10.189 6.632 616 HD3 PRO 85 2HD PRO 85 1.916 -10.037 6.655 617 H THR 86 H THR 86 2.807 -7.501 1.793 618 HA THR 86 HA THR 86 5.729 -7.657 1.677 619 HB THR 86 HB THR 86 3.976 -8.179 -0.732 620 HG1 THR 86 1HG THR 86 5.728 -10.000 0.578 621 HG21 THR 86 1HG2 THR 86 6.364 -8.940 -1.552 622 HG22 THR 86 2HG2 THR 86 6.905 -7.793 -0.327 623 HG23 THR 86 3HG2 THR 86 5.869 -7.251 -1.646 624 H ILE 87 H ILE 87 6.241 -5.571 1.933 625 HA ILE 87 HA ILE 87 4.664 -3.518 0.569 626 HB ILE 87 HB ILE 87 6.861 -3.220 2.621 627 HG12 ILE 87 1HG1 ILE 87 4.005 -2.516 3.128 628 HG13 ILE 87 2HG1 ILE 87 4.463 -4.215 3.171 629 HG21 ILE 87 1HG2 ILE 87 5.007 -1.171 1.413 630 HG22 ILE 87 2HG2 ILE 87 6.114 -0.880 2.755 631 HG23 ILE 87 3HG2 ILE 87 6.749 -1.289 1.161 632 HD11 ILE 87 1HD1 ILE 87 4.735 -2.267 5.193 633 HD12 ILE 87 2HD1 ILE 87 5.214 -3.965 5.230 634 HD13 ILE 87 3HD1 ILE 87 6.357 -2.738 4.684 635 H LYS 88 H LYS 88 5.346 -2.553 -1.225 636 HA LYS 88 HA LYS 88 8.215 -2.602 -1.865 637 HB2 LYS 88 1HB LYS 88 6.000 -3.119 -3.857 638 HB3 LYS 88 2HB LYS 88 7.727 -3.113 -4.190 639 HG2 LYS 88 1HG LYS 88 6.665 -4.993 -2.141 640 HG3 LYS 88 2HG LYS 88 6.427 -5.358 -3.851 641 HD2 LYS 88 1HD LYS 88 8.951 -4.908 -4.080 642 HD3 LYS 88 2HD LYS 88 8.994 -5.073 -2.323 643 HE2 LYS 88 1HE LYS 88 8.288 -7.308 -2.407 644 HE3 LYS 88 2HE LYS 88 7.725 -7.159 -4.070 645 HZ1 LYS 88 1HZ LYS 88 10.568 -7.028 -3.222 646 HZ2 LYS 88 2HZ LYS 88 9.996 -6.980 -4.813 647 HZ3 LYS 88 3HZ LYS 88 9.819 -8.389 -3.893 648 H ILE 89 H ILE 89 9.022 -0.775 -2.799 649 HA ILE 89 HA ILE 89 7.145 1.475 -3.059 650 HB ILE 89 HB ILE 89 10.115 1.463 -2.521 651 HG12 ILE 89 1HG1 ILE 89 9.092 2.833 -0.487 652 HG13 ILE 89 2HG1 ILE 89 7.660 1.887 -0.878 653 HG21 ILE 89 1HG2 ILE 89 8.512 3.468 -3.758 654 HG22 ILE 89 2HG2 ILE 89 9.009 4.038 -2.166 655 HG23 ILE 89 3HG2 ILE 89 10.223 3.523 -3.336 656 HD11 ILE 89 1HD1 ILE 89 9.887 0.133 -0.819 657 HD12 ILE 89 2HD1 ILE 89 9.916 1.126 0.639 658 HD13 ILE 89 3HD1 ILE 89 8.482 0.177 0.247 659 H PHE 90 H PHE 90 7.007 2.634 -4.912 660 HA PHE 90 HA PHE 90 8.803 1.882 -7.121 661 HB2 PHE 90 1HB PHE 90 5.850 2.474 -7.388 662 HB3 PHE 90 2HB PHE 90 6.943 1.976 -8.675 663 HD1 PHE 90 1HD PHE 90 5.797 0.799 -5.325 664 HD2 PHE 90 2HD PHE 90 6.918 -0.229 -9.300 665 HE1 PHE 90 1HE PHE 90 5.257 -1.557 -4.864 666 HE2 PHE 90 2HE PHE 90 6.379 -2.586 -8.846 667 HZ PHE 90 HZ PHE 90 5.547 -3.253 -6.626 668 H GLN 91 H GLN 91 9.657 3.520 -8.272 669 HA GLN 91 HA GLN 91 8.548 6.215 -7.896 670 HB2 GLN 91 1HB GLN 91 11.392 5.317 -7.528 671 HB3 GLN 91 2HB GLN 91 11.015 6.982 -7.951 672 HG2 GLN 91 1HG GLN 91 9.705 7.237 -5.940 673 HG3 GLN 91 2HG GLN 91 9.959 5.541 -5.530 674 HE21 GLN 91 1HE2 GLN 91 11.334 5.347 -3.927 675 HE22 GLN 91 2HE2 GLN 91 12.767 6.281 -3.688 676 H LYS 92 H LYS 92 8.264 7.301 -9.734 677 HA LYS 92 HA LYS 92 8.511 6.200 -12.243 678 HB2 LYS 92 1HB LYS 92 7.247 8.305 -11.522 679 HB3 LYS 92 2HB LYS 92 8.765 9.162 -11.752 680 HG2 LYS 92 1HG LYS 92 7.598 9.475 -13.747 681 HG3 LYS 92 2HG LYS 92 8.762 8.198 -14.111 682 HD2 LYS 92 1HD LYS 92 7.150 6.591 -14.288 683 HD3 LYS 92 2HD LYS 92 6.080 7.383 -13.129 684 HE2 LYS 92 1HE LYS 92 5.031 7.575 -15.240 685 HE3 LYS 92 2HE LYS 92 5.705 9.163 -14.877 686 HZ1 LYS 92 1HZ LYS 92 6.058 7.952 -17.196 687 HZ2 LYS 92 2HZ LYS 92 7.405 7.338 -16.379 688 HZ3 LYS 92 3HZ LYS 92 7.203 9.010 -16.540 689 H GLY 93 H GLY 93 9.994 6.325 -13.921 690 HA2 GLY 93 1HA GLY 93 12.079 6.380 -14.879 691 HA3 GLY 93 2HA GLY 93 12.342 7.845 -13.944 692 H GLU 94 H GLU 94 11.578 5.161 -12.022 693 HA GLU 94 HA GLU 94 14.387 4.428 -11.646 694 HB2 GLU 94 1HB GLU 94 12.586 5.129 -9.327 695 HB3 GLU 94 2HB GLU 94 14.293 4.716 -9.262 696 HG2 GLU 94 1HG GLU 94 14.928 6.758 -10.254 697 HG3 GLU 94 2HG GLU 94 13.271 7.127 -10.728 698 H SER 95 H SER 95 14.651 2.462 -10.334 699 HA SER 95 HA SER 95 12.593 0.536 -11.020 700 HB2 SER 95 1HB SER 95 14.204 -1.141 -10.577 701 HB3 SER 95 2HB SER 95 15.113 0.175 -11.320 702 HG SER 95 HG SER 95 15.671 -0.956 -9.077 703 HA PRO 96 HA PRO 96 10.700 0.347 -7.055 704 HB2 PRO 96 1HB PRO 96 9.759 -2.198 -7.123 705 HB3 PRO 96 2HB PRO 96 9.045 -0.885 -8.065 706 HG2 PRO 96 1HG PRO 96 10.970 -3.007 -8.931 707 HG3 PRO 96 2HG PRO 96 9.538 -2.386 -9.772 708 HD2 PRO 96 1HD PRO 96 12.051 -1.598 -10.400 709 HD3 PRO 96 2HD PRO 96 10.648 -0.522 -10.550 710 H VAL 97 H VAL 97 11.229 -0.195 -4.997 711 HA VAL 97 HA VAL 97 13.475 -2.066 -4.648 712 HB VAL 97 HB VAL 97 13.768 -0.880 -2.425 713 HG11 VAL 97 1HG1 VAL 97 15.215 0.666 -3.348 714 HG12 VAL 97 2HG1 VAL 97 14.999 -0.469 -4.682 715 HG13 VAL 97 3HG1 VAL 97 14.118 1.060 -4.671 716 HG21 VAL 97 1HG2 VAL 97 12.831 1.404 -2.293 717 HG22 VAL 97 2HG2 VAL 97 11.863 1.064 -3.727 718 HG23 VAL 97 3HG2 VAL 97 11.591 0.152 -2.242 719 H ASP 98 H ASP 98 13.512 -3.304 -2.622 720 HA ASP 98 HA ASP 98 10.807 -4.218 -1.931 721 HB2 ASP 98 1HB ASP 98 11.693 -6.337 -1.487 722 HB3 ASP 98 2HB ASP 98 12.622 -5.795 -2.882 723 H TYR 99 H TYR 99 10.035 -3.351 -0.126 724 HA TYR 99 HA TYR 99 11.649 -2.159 1.876 725 HB2 TYR 99 1HB TYR 99 9.348 -1.427 1.435 726 HB3 TYR 99 2HB TYR 99 8.739 -2.984 1.985 727 HD1 TYR 99 1HD TYR 99 10.271 0.187 3.036 728 HD2 TYR 99 2HD TYR 99 8.611 -3.510 4.332 729 HE1 TYR 99 1HE TYR 99 10.152 1.054 5.334 730 HE2 TYR 99 2HE TYR 99 8.485 -2.653 6.634 731 HH TYR 99 HH TYR 99 8.384 -0.475 7.785 732 H ASP 100 H ASP 100 12.409 -2.919 3.773 733 HA ASP 100 HA ASP 100 11.569 -5.568 4.691 734 HB2 ASP 100 1HB ASP 100 14.035 -6.076 5.143 735 HB3 ASP 100 2HB ASP 100 13.497 -6.170 3.468 736 H GLY 101 H GLY 101 10.985 -5.393 6.745 737 HA2 GLY 101 1HA GLY 101 12.462 -4.655 8.889 738 HA3 GLY 101 2HA GLY 101 11.814 -3.122 8.327 739 H GLY 102 H GLY 102 10.423 -2.658 9.963 740 HA2 GLY 102 1HA GLY 102 8.594 -4.685 10.951 741 HA3 GLY 102 2HA GLY 102 8.732 -3.030 11.528 742 H ARG 103 H ARG 103 6.544 -4.975 10.357 743 HA ARG 103 HA ARG 103 5.472 -3.353 8.213 744 HB2 ARG 103 1HB ARG 103 3.683 -5.000 8.122 745 HB3 ARG 103 2HB ARG 103 5.246 -5.804 8.163 746 HG2 ARG 103 1HG ARG 103 4.945 -6.551 10.343 747 HG3 ARG 103 2HG ARG 103 3.681 -5.366 10.675 748 HD2 ARG 103 1HD ARG 103 2.169 -6.527 9.168 749 HD3 ARG 103 2HD ARG 103 3.436 -7.682 8.758 750 HE ARG 103 HE ARG 103 1.843 -7.619 11.173 751 HH11 ARG 103 2HH1 ARG 103 4.694 -8.838 9.590 752 HH12 ARG 103 1HH1 ARG 103 4.864 -10.195 10.654 753 HH21 ARG 103 2HH2 ARG 103 2.056 -9.402 12.580 754 HH22 ARG 103 1HH2 ARG 103 3.362 -10.516 12.354 755 H THR 104 H THR 104 5.791 -2.075 10.784 756 HA THR 104 HA THR 104 3.001 -1.663 11.614 757 HB THR 104 HB THR 104 3.941 -0.549 13.615 758 HG1 THR 104 1HG THR 104 6.061 -0.230 12.297 759 HG21 THR 104 1HG2 THR 104 3.467 -3.038 13.488 760 HG22 THR 104 2HG2 THR 104 4.588 -2.528 14.751 761 HG23 THR 104 3HG2 THR 104 5.202 -3.262 13.270 762 H ARG 105 H ARG 105 2.009 0.265 11.367 763 HA ARG 105 HA ARG 105 2.588 2.061 9.454 764 HB2 ARG 105 1HB ARG 105 0.988 3.465 10.359 765 HB3 ARG 105 2HB ARG 105 0.585 1.935 11.126 766 HG2 ARG 105 1HG ARG 105 2.097 2.745 13.044 767 HG3 ARG 105 2HG ARG 105 1.918 4.338 12.305 768 HD2 ARG 105 1HD ARG 105 -0.540 4.078 12.447 769 HD3 ARG 105 2HD ARG 105 -0.301 2.544 13.282 770 HE ARG 105 HE ARG 105 1.068 4.688 14.571 771 HH11 ARG 105 2HH1 ARG 105 -2.048 3.188 14.176 772 HH12 ARG 105 1HH1 ARG 105 -2.652 3.737 15.704 773 HH21 ARG 105 2HH2 ARG 105 0.285 5.417 16.586 774 HH22 ARG 105 1HH2 ARG 105 -1.324 5.006 17.074 775 H SER 106 H SER 106 3.964 2.016 12.684 776 HA SER 106 HA SER 106 5.143 4.517 12.793 777 HB2 SER 106 1HB SER 106 5.770 1.862 13.995 778 HB3 SER 106 2HB SER 106 7.001 3.120 14.100 779 HG SER 106 HG SER 106 5.177 4.465 14.919 780 H ASP 107 H ASP 107 6.696 1.503 11.682 781 HA ASP 107 HA ASP 107 8.967 2.871 10.624 782 HB2 ASP 107 1HB ASP 107 7.985 0.043 10.183 783 HB3 ASP 107 2HB ASP 107 9.552 0.658 9.663 784 H ILE 108 H ILE 108 6.215 1.199 9.101 785 HA ILE 108 HA ILE 108 6.750 1.538 6.461 786 HB ILE 108 HB ILE 108 4.059 1.968 7.762 787 HG12 ILE 108 1HG1 ILE 108 5.088 -0.550 6.465 788 HG13 ILE 108 2HG1 ILE 108 5.330 -0.222 8.178 789 HG21 ILE 108 1HG2 ILE 108 3.055 1.628 5.667 790 HG22 ILE 108 2HG2 ILE 108 4.367 2.765 5.364 791 HG23 ILE 108 3HG2 ILE 108 4.560 1.064 4.943 792 HD11 ILE 108 1HD1 ILE 108 3.248 -0.811 8.680 793 HD12 ILE 108 2HD1 ILE 108 2.570 0.127 7.348 794 HD13 ILE 108 3HD1 ILE 108 3.179 -1.503 7.059 795 H VAL 109 H VAL 109 5.521 3.992 8.680 796 HA VAL 109 HA VAL 109 5.196 5.985 6.642 797 HB VAL 109 HB VAL 109 5.166 6.123 9.652 798 HG11 VAL 109 1HG1 VAL 109 6.088 8.217 8.732 799 HG12 VAL 109 2HG1 VAL 109 4.646 8.388 7.729 800 HG13 VAL 109 3HG1 VAL 109 4.511 8.446 9.487 801 HG21 VAL 109 1HG2 VAL 109 2.784 7.040 8.418 802 HG22 VAL 109 2HG2 VAL 109 3.231 5.512 7.659 803 HG23 VAL 109 3HG2 VAL 109 3.021 5.600 9.408 804 H SER 110 H SER 110 7.554 5.426 9.244 805 HA SER 110 HA SER 110 9.173 7.617 8.950 806 HB2 SER 110 1HB SER 110 9.643 6.092 10.718 807 HB3 SER 110 2HB SER 110 9.886 4.754 9.595 808 HG SER 110 HG SER 110 11.910 5.316 9.798 809 H ARG 111 H ARG 111 9.221 4.637 7.041 810 HA ARG 111 HA ARG 111 11.487 5.259 5.490 811 HB2 ARG 111 1HB ARG 111 10.394 3.000 5.706 812 HB3 ARG 111 2HB ARG 111 9.133 3.578 4.625 813 HG2 ARG 111 1HG ARG 111 10.659 2.328 3.318 814 HG3 ARG 111 2HG ARG 111 10.921 4.030 2.930 815 HD2 ARG 111 1HD ARG 111 13.087 3.419 3.222 816 HD3 ARG 111 2HD ARG 111 12.695 3.788 4.901 817 HE ARG 111 HE ARG 111 13.004 1.586 5.396 818 HH11 ARG 111 2HH1 ARG 111 12.411 1.882 1.978 819 HH12 ARG 111 1HH1 ARG 111 12.700 0.205 1.651 820 HH21 ARG 111 2HH2 ARG 111 13.387 -0.623 4.977 821 HH22 ARG 111 1HH2 ARG 111 13.254 -1.219 3.357 822 H ALA 112 H ALA 112 8.057 5.365 4.503 823 HA ALA 112 HA ALA 112 8.230 6.547 2.080 824 HB1 ALA 112 1HB ALA 112 6.051 7.704 2.638 825 HB2 ALA 112 2HB ALA 112 6.091 5.958 2.884 826 HB3 ALA 112 3HB ALA 112 6.227 7.047 4.265 827 H LEU 113 H LEU 113 8.771 8.096 5.170 828 HA LEU 113 HA LEU 113 8.722 10.774 4.246 829 HB2 LEU 113 1HB LEU 113 10.007 9.484 6.642 830 HB3 LEU 113 2HB LEU 113 10.034 11.221 6.351 831 HG LEU 113 HG LEU 113 7.509 9.606 6.674 832 HD11 LEU 113 1HD1 LEU 113 9.381 10.654 8.648 833 HD12 LEU 113 2HD1 LEU 113 8.066 9.494 8.832 834 HD13 LEU 113 3HD1 LEU 113 7.727 11.224 8.873 835 HD21 LEU 113 1HD2 LEU 113 8.067 12.569 6.625 836 HD22 LEU 113 2HD2 LEU 113 6.518 11.845 7.057 837 HD23 LEU 113 3HD2 LEU 113 7.165 11.638 5.429 838 H ASP 114 H ASP 114 11.385 8.495 4.840 839 HA ASP 114 HA ASP 114 13.535 10.109 4.238 840 HB2 ASP 114 1HB ASP 114 13.402 7.594 4.971 841 HB3 ASP 114 2HB ASP 114 13.497 7.284 3.240 842 H LEU 115 H LEU 115 11.411 8.365 2.020 843 HA LEU 115 HA LEU 115 12.892 9.133 -0.316 844 HB2 LEU 115 1HB LEU 115 10.081 8.065 -0.130 845 HB3 LEU 115 2HB LEU 115 11.102 8.103 -1.566 846 HG LEU 115 HG LEU 115 11.786 6.501 0.890 847 HD11 LEU 115 1HD1 LEU 115 9.562 5.998 -0.503 848 HD12 LEU 115 2HD1 LEU 115 10.577 4.728 0.180 849 HD13 LEU 115 3HD1 LEU 115 10.732 5.159 -1.523 850 HD21 LEU 115 1HD2 LEU 115 13.704 6.222 -0.195 851 HD22 LEU 115 2HD2 LEU 115 13.097 7.092 -1.605 852 HD23 LEU 115 3HD2 LEU 115 12.808 5.358 -1.445 853 H PHE 116 H PHE 116 9.793 10.104 1.129 854 HA PHE 116 HA PHE 116 8.875 11.908 -0.696 855 HB2 PHE 116 1HB PHE 116 7.505 11.544 1.175 856 HB3 PHE 116 2HB PHE 116 8.795 11.930 2.309 857 HD1 PHE 116 2HD PHE 116 6.709 13.490 -0.351 858 HD2 PHE 116 1HD PHE 116 8.861 14.019 3.283 859 HE1 PHE 116 2HE PHE 116 5.875 15.799 -0.197 860 HE2 PHE 116 1HE PHE 116 8.030 16.329 3.444 861 HZ PHE 116 HZ PHE 116 6.536 17.223 1.702 862 H SER 117 H SER 117 11.458 12.384 1.651 863 HA SER 117 HA SER 117 11.830 15.117 1.465 864 HB2 SER 117 1HB SER 117 14.061 14.756 2.266 865 HB3 SER 117 2HB SER 117 13.042 13.519 3.001 866 HG SER 117 HG SER 117 15.207 13.185 1.505 867 H ASP 118 H ASP 118 13.043 12.563 -0.660 868 HA ASP 118 HA ASP 118 14.451 14.423 -2.354 869 HB2 ASP 118 1HB ASP 118 15.095 11.985 -1.929 870 HB3 ASP 118 2HB ASP 118 13.783 11.561 -3.025 871 H ASN 119 H ASN 119 11.695 12.215 -2.877 872 HA ASN 119 HA ASN 119 10.938 13.015 -5.386 873 HB2 ASN 119 1HB ASN 119 9.469 11.909 -3.044 874 HB3 ASN 119 2HB ASN 119 8.509 12.555 -4.371 875 HD21 ASN 119 1HD2 ASN 119 10.339 9.945 -3.233 876 HD22 ASN 119 2HD2 ASN 119 10.290 8.975 -4.661 877 H ALA 120 H ALA 120 9.089 14.134 -2.563 878 HA ALA 120 HA ALA 120 8.117 16.428 -3.930 879 HB1 ALA 120 1HB ALA 120 8.015 16.483 -0.996 880 HB2 ALA 120 2HB ALA 120 6.721 16.651 -2.184 881 HB3 ALA 120 3HB ALA 120 7.309 15.048 -1.741 882 HA PRO 121 HA PRO 121 11.337 19.341 -3.243 883 HB2 PRO 121 1HB PRO 121 9.893 21.640 -3.234 884 HB3 PRO 121 2HB PRO 121 10.215 20.714 -4.705 885 HG2 PRO 121 1HG PRO 121 7.762 20.753 -2.990 886 HG3 PRO 121 2HG PRO 121 7.891 20.765 -4.758 887 HD2 PRO 121 1HD PRO 121 7.324 18.520 -3.354 888 HD3 PRO 121 2HD PRO 121 8.241 18.489 -4.874 889 HA PRO 122 HA PRO 122 11.418 19.966 1.145 890 HB2 PRO 122 1HB PRO 122 13.668 21.482 1.242 891 HB3 PRO 122 2HB PRO 122 13.698 19.735 0.973 892 HG2 PRO 122 1HG PRO 122 13.905 21.961 -1.017 893 HG3 PRO 122 2HG PRO 122 14.837 20.456 -0.921 894 HD2 PRO 122 1HD PRO 122 12.769 20.782 -2.638 895 HD3 PRO 122 2HD PRO 122 13.168 19.212 -1.912 896 HA PRO 123 HA PRO 123 9.675 23.901 2.045 897 HB2 PRO 123 1HB PRO 123 10.718 24.454 4.490 898 HB3 PRO 123 2HB PRO 123 9.487 23.213 4.229 899 HG2 PRO 123 1HG PRO 123 12.450 22.909 4.526 900 HG3 PRO 123 2HG PRO 123 11.149 21.931 5.230 901 HD2 PRO 123 1HD PRO 123 12.541 21.147 3.043 902 HD3 PRO 123 2HD PRO 123 10.833 20.727 3.290 903 H GLU 124 H GLU 124 10.439 26.121 3.178 904 HA GLU 124 HA GLU 124 12.482 27.149 1.419 905 HB2 GLU 124 1HB GLU 124 10.467 28.313 3.275 906 HB3 GLU 124 2HB GLU 124 11.886 29.284 2.903 907 HG2 GLU 124 1HG GLU 124 10.356 28.047 0.670 908 HG3 GLU 124 2HG GLU 124 9.709 29.478 1.471 909 H LEU 125 H LEU 125 14.405 26.226 2.132 910 HA LEU 125 HA LEU 125 15.252 26.807 4.874 911 HB2 LEU 125 1HB LEU 125 17.287 25.391 3.995 912 HB3 LEU 125 2HB LEU 125 15.791 24.625 4.528 913 HG LEU 125 HG LEU 125 15.087 24.410 2.180 914 HD11 LEU 125 1HD1 LEU 125 16.040 25.989 0.865 915 HD12 LEU 125 2HD1 LEU 125 17.207 24.696 0.589 916 HD13 LEU 125 3HD1 LEU 125 17.564 25.972 1.753 917 HD21 LEU 125 1HD2 LEU 125 17.780 23.248 2.875 918 HD22 LEU 125 2HD2 LEU 125 16.773 22.702 1.534 919 HD23 LEU 125 3HD2 LEU 125 16.197 22.538 3.193 920 H LEU 126 H LEU 126 17.649 27.382 5.083 921 HA LEU 126 HA LEU 126 18.422 29.303 2.991 922 HB2 LEU 126 1HB LEU 126 17.425 30.177 5.263 923 HB3 LEU 126 2HB LEU 126 19.054 29.850 5.852 924 HG LEU 126 HG LEU 126 19.877 31.353 3.977 925 HD11 LEU 126 1HD1 LEU 126 18.390 32.818 2.906 926 HD12 LEU 126 2HD1 LEU 126 17.056 32.381 3.972 927 HD13 LEU 126 3HD1 LEU 126 17.641 31.227 2.773 928 HD21 LEU 126 1HD2 LEU 126 18.389 32.189 6.411 929 HD22 LEU 126 2HD2 LEU 126 18.919 33.440 5.285 930 HD23 LEU 126 3HD2 LEU 126 20.101 32.353 6.017 931 H GLU 127 H GLU 127 19.688 27.336 2.362 932 HA GLU 127 HA GLU 127 22.390 27.649 3.157 933 HB2 GLU 127 1HB GLU 127 22.749 25.392 4.100 934 HB3 GLU 127 2HB GLU 127 21.716 26.389 5.113 935 HG2 GLU 127 1HG GLU 127 19.744 25.249 4.190 936 HG3 GLU 127 2HG GLU 127 20.810 24.218 3.236 937 H SER 128 H SER 128 23.767 25.799 2.176 938 HA SER 128 HA SER 128 23.057 25.616 -0.582 939 HB2 SER 128 1HB SER 128 25.385 25.871 0.014 940 HB3 SER 128 2HB SER 128 25.342 24.403 0.989 941 HG SER 128 HG SER 128 24.613 24.205 -1.697 942 H GLY 129 H GLY 129 23.575 23.152 1.948 943 HA2 GLY 129 1HA GLY 129 22.577 21.098 2.247 944 HA3 GLY 129 2HA GLY 129 21.392 21.562 1.035 945 HA PRO 130 HA PRO 130 25.204 19.448 -1.142 946 HB2 PRO 130 1HB PRO 130 26.555 17.721 0.459 947 HB3 PRO 130 2HB PRO 130 27.017 19.417 0.269 948 HG2 PRO 130 1HG PRO 130 25.451 18.115 2.464 949 HG3 PRO 130 2HG PRO 130 26.739 19.329 2.576 950 HD2 PRO 130 1HD PRO 130 24.115 19.966 2.775 951 HD3 PRO 130 2HD PRO 130 25.315 21.070 2.071 952 H SER 131 H SER 131 23.711 18.273 -2.269 953 HA SER 131 HA SER 131 23.314 15.524 -1.427 954 HB2 SER 131 1HB SER 131 21.383 16.957 -0.520 955 HB3 SER 131 2HB SER 131 20.883 17.131 -2.202 956 HG SER 131 HG SER 131 20.070 15.207 -2.096 957 H SER 132 H SER 132 21.842 14.424 -3.219 958 HA SER 132 HA SER 132 21.766 13.677 -5.367 959 HB2 SER 132 1HB SER 132 21.648 16.640 -5.631 960 HB3 SER 132 2HB SER 132 21.945 15.708 -7.099 961 HG SER 132 HG SER 132 19.741 15.509 -5.329 962 H GLY 133 H GLY 133 24.235 13.436 -4.180 963 HA2 GLY 133 1HA GLY 133 26.507 14.436 -5.179 964 HA3 GLY 133 2HA GLY 133 26.310 12.707 -4.934 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -14.916 16.245 -3.336 2 HA2 GLY 1 1HA GLY 1 -16.400 14.679 -2.468 3 HA3 GLY 1 2HA GLY 1 -15.794 13.504 -3.625 4 H SER 2 H SER 2 -16.335 12.883 -0.951 5 HA SER 2 HA SER 2 -13.645 12.568 0.201 6 HB2 SER 2 1HB SER 2 -15.578 13.725 1.505 7 HB3 SER 2 2HB SER 2 -16.184 12.084 1.735 8 HG SER 2 HG SER 2 -14.521 11.626 3.003 9 H SER 3 H SER 3 -12.764 10.611 0.226 10 HA SER 3 HA SER 3 -14.523 8.260 0.048 11 HB2 SER 3 1HB SER 3 -13.219 9.040 -2.125 12 HB3 SER 3 2HB SER 3 -11.879 8.201 -1.344 13 HG SER 3 HG SER 3 -14.327 6.878 -1.440 14 H GLY 4 H GLY 4 -13.369 6.215 0.652 15 HA2 GLY 4 1HA GLY 4 -11.322 5.339 1.767 16 HA3 GLY 4 2HA GLY 4 -11.396 6.770 2.783 17 H SER 5 H SER 5 -12.862 3.675 2.066 18 HA SER 5 HA SER 5 -14.977 3.735 3.891 19 HB2 SER 5 1HB SER 5 -14.923 1.281 3.775 20 HB3 SER 5 2HB SER 5 -14.729 1.990 2.172 21 HG SER 5 HG SER 5 -13.060 0.691 2.136 22 H SER 6 H SER 6 -11.668 2.492 4.312 23 HA SER 6 HA SER 6 -12.117 2.468 7.218 24 HB2 SER 6 1HB SER 6 -10.285 0.919 5.414 25 HB3 SER 6 2HB SER 6 -9.884 1.112 7.120 26 HG SER 6 HG SER 6 -11.954 -0.315 5.921 27 H GLY 7 H GLY 7 -9.628 3.301 4.805 28 HA2 GLY 7 1HA GLY 7 -8.936 5.659 6.364 29 HA3 GLY 7 2HA GLY 7 -7.668 4.453 6.202 30 H ASP 8 H ASP 8 -6.255 5.578 4.950 31 HA ASP 8 HA ASP 8 -7.232 6.751 2.451 32 HB2 ASP 8 1HB ASP 8 -5.828 8.213 3.766 33 HB3 ASP 8 2HB ASP 8 -4.573 6.981 3.871 34 H VAL 9 H VAL 9 -6.942 3.835 2.946 35 HA VAL 9 HA VAL 9 -4.688 2.975 1.378 36 HB VAL 9 HB VAL 9 -7.076 1.277 2.065 37 HG11 VAL 9 1HG1 VAL 9 -5.614 0.141 0.619 38 HG12 VAL 9 2HG1 VAL 9 -4.182 0.750 1.451 39 HG13 VAL 9 3HG1 VAL 9 -5.212 -0.452 2.230 40 HG21 VAL 9 1HG2 VAL 9 -6.645 1.385 4.240 41 HG22 VAL 9 2HG2 VAL 9 -4.953 0.973 3.960 42 HG23 VAL 9 3HG2 VAL 9 -5.468 2.659 3.919 43 H ILE 10 H ILE 10 -4.592 2.743 -0.758 44 HA ILE 10 HA ILE 10 -7.071 3.048 -2.302 45 HB ILE 10 HB ILE 10 -4.201 3.385 -3.181 46 HG12 ILE 10 1HG1 ILE 10 -6.342 5.497 -2.913 47 HG13 ILE 10 2HG1 ILE 10 -5.198 5.131 -1.626 48 HG21 ILE 10 1HG2 ILE 10 -5.818 2.548 -4.922 49 HG22 ILE 10 2HG2 ILE 10 -6.685 4.071 -4.732 50 HG23 ILE 10 3HG2 ILE 10 -5.015 4.072 -5.298 51 HD11 ILE 10 1HD1 ILE 10 -4.677 6.332 -4.315 52 HD12 ILE 10 2HD1 ILE 10 -4.276 6.962 -2.717 53 HD13 ILE 10 3HD1 ILE 10 -3.387 5.587 -3.372 54 H GLU 11 H GLU 11 -7.650 1.606 -3.902 55 HA GLU 11 HA GLU 11 -6.279 -0.990 -3.789 56 HB2 GLU 11 1HB GLU 11 -8.611 -1.101 -3.159 57 HB3 GLU 11 2HB GLU 11 -9.088 -0.263 -4.629 58 HG2 GLU 11 1HG GLU 11 -7.889 -2.295 -5.785 59 HG3 GLU 11 2HG GLU 11 -8.226 -3.080 -4.243 60 H LEU 12 H LEU 12 -5.045 -1.548 -5.446 61 HA LEU 12 HA LEU 12 -5.451 -0.208 -8.028 62 HB2 LEU 12 1HB LEU 12 -3.045 -1.704 -6.999 63 HB3 LEU 12 2HB LEU 12 -3.154 -0.853 -8.538 64 HG LEU 12 HG LEU 12 -3.293 0.448 -5.819 65 HD11 LEU 12 1HD1 LEU 12 -1.076 -0.509 -6.362 66 HD12 LEU 12 2HD1 LEU 12 -1.068 1.250 -6.251 67 HD13 LEU 12 3HD1 LEU 12 -1.049 0.467 -7.831 68 HD21 LEU 12 1HD2 LEU 12 -3.376 1.508 -8.627 69 HD22 LEU 12 2HD2 LEU 12 -2.881 2.509 -7.262 70 HD23 LEU 12 3HD2 LEU 12 -4.499 1.808 -7.301 71 H THR 13 H THR 13 -4.674 -1.639 -9.934 72 HA THR 13 HA THR 13 -5.693 -4.380 -9.595 73 HB THR 13 HB THR 13 -6.204 -2.833 -12.119 74 HG1 THR 13 1HG THR 13 -7.925 -1.899 -11.253 75 HG21 THR 13 1HG2 THR 13 -8.290 -4.542 -11.705 76 HG22 THR 13 2HG2 THR 13 -6.952 -5.431 -10.977 77 HG23 THR 13 3HG2 THR 13 -6.857 -4.918 -12.661 78 H ASP 14 H ASP 14 -5.126 -5.754 -11.570 79 HA ASP 14 HA ASP 14 -2.364 -5.946 -11.818 80 HB2 ASP 14 1HB ASP 14 -2.751 -7.622 -13.487 81 HB3 ASP 14 2HB ASP 14 -4.040 -7.759 -12.294 82 H ASP 15 H ASP 15 -4.643 -4.043 -13.609 83 HA ASP 15 HA ASP 15 -2.525 -3.251 -15.494 84 HB2 ASP 15 1HB ASP 15 -4.278 -2.501 -16.989 85 HB3 ASP 15 2HB ASP 15 -4.603 -4.163 -16.505 86 H SER 16 H SER 16 -5.093 -1.985 -13.407 87 HA SER 16 HA SER 16 -4.631 0.740 -13.835 88 HB2 SER 16 1HB SER 16 -5.797 -0.795 -11.520 89 HB3 SER 16 2HB SER 16 -5.645 0.961 -11.473 90 HG SER 16 HG SER 16 -7.563 0.769 -12.387 91 H PHE 17 H PHE 17 -3.051 -1.572 -11.728 92 HA PHE 17 HA PHE 17 -1.700 0.070 -9.980 93 HB2 PHE 17 1HB PHE 17 -1.494 -2.252 -9.632 94 HB3 PHE 17 2HB PHE 17 -0.922 -2.535 -11.272 95 HD1 PHE 17 2HD PHE 17 1.343 -1.306 -11.859 96 HD2 PHE 17 1HD PHE 17 0.036 -2.273 -7.925 97 HE1 PHE 17 2HE PHE 17 3.669 -1.205 -11.065 98 HE2 PHE 17 1HE PHE 17 2.361 -2.173 -7.125 99 HZ PHE 17 HZ PHE 17 4.181 -1.639 -8.696 100 H ASP 18 H ASP 18 -1.311 -0.191 -13.370 101 HA ASP 18 HA ASP 18 1.368 0.918 -13.399 102 HB2 ASP 18 1HB ASP 18 -0.565 0.295 -15.641 103 HB3 ASP 18 2HB ASP 18 1.082 0.875 -15.872 104 H LYS 19 H LYS 19 -1.821 1.934 -14.633 105 HA LYS 19 HA LYS 19 -0.969 4.603 -15.157 106 HB2 LYS 19 1HB LYS 19 -3.169 5.019 -15.854 107 HB3 LYS 19 2HB LYS 19 -2.918 3.320 -16.230 108 HG2 LYS 19 1HG LYS 19 -4.236 2.614 -14.418 109 HG3 LYS 19 2HG LYS 19 -4.215 4.215 -13.676 110 HD2 LYS 19 1HD LYS 19 -6.360 3.933 -14.665 111 HD3 LYS 19 2HD LYS 19 -5.462 5.053 -15.692 112 HE2 LYS 19 1HE LYS 19 -6.703 3.371 -16.993 113 HE3 LYS 19 2HE LYS 19 -4.962 3.273 -17.254 114 HZ1 LYS 19 1HZ LYS 19 -6.358 1.557 -15.288 115 HZ2 LYS 19 2HZ LYS 19 -4.814 1.351 -15.946 116 HZ3 LYS 19 3HZ LYS 19 -6.182 1.106 -16.910 117 H ASN 20 H ASN 20 -1.461 3.051 -12.300 118 HA ASN 20 HA ASN 20 -2.488 5.439 -10.930 119 HB2 ASN 20 1HB ASN 20 -2.458 2.521 -10.247 120 HB3 ASN 20 2HB ASN 20 -2.547 3.712 -8.953 121 HD21 ASN 20 1HD2 ASN 20 -4.058 2.902 -12.053 122 HD22 ASN 20 2HD2 ASN 20 -5.662 3.336 -11.580 123 H VAL 21 H VAL 21 0.234 3.244 -11.128 124 HA VAL 21 HA VAL 21 1.655 4.798 -9.077 125 HB VAL 21 HB VAL 21 2.235 2.077 -10.247 126 HG11 VAL 21 1HG1 VAL 21 4.382 2.799 -9.918 127 HG12 VAL 21 2HG1 VAL 21 3.926 3.919 -8.632 128 HG13 VAL 21 3HG1 VAL 21 4.012 2.187 -8.306 129 HG21 VAL 21 1HG2 VAL 21 0.964 3.076 -7.790 130 HG22 VAL 21 2HG2 VAL 21 0.752 1.543 -8.636 131 HG23 VAL 21 3HG2 VAL 21 2.130 1.773 -7.560 132 H LEU 22 H LEU 22 2.402 3.195 -12.180 133 HA LEU 22 HA LEU 22 4.756 4.629 -12.683 134 HB2 LEU 22 1HB LEU 22 2.868 3.431 -14.703 135 HB3 LEU 22 2HB LEU 22 4.562 3.838 -14.968 136 HG LEU 22 HG LEU 22 3.527 1.683 -13.126 137 HD11 LEU 22 1HD1 LEU 22 3.228 0.974 -15.369 138 HD12 LEU 22 2HD1 LEU 22 4.699 0.200 -14.781 139 HD13 LEU 22 3HD1 LEU 22 4.806 1.600 -15.848 140 HD21 LEU 22 1HD2 LEU 22 5.539 1.611 -12.195 141 HD22 LEU 22 2HD2 LEU 22 5.958 3.088 -13.063 142 HD23 LEU 22 3HD2 LEU 22 6.312 1.514 -13.777 143 H ASP 23 H ASP 23 1.521 5.091 -14.114 144 HA ASP 23 HA ASP 23 2.123 7.435 -15.516 145 HB2 ASP 23 1HB ASP 23 0.111 6.160 -15.988 146 HB3 ASP 23 2HB ASP 23 -0.514 6.491 -14.375 147 H SER 24 H SER 24 1.993 6.938 -12.206 148 HA SER 24 HA SER 24 1.380 9.762 -11.662 149 HB2 SER 24 1HB SER 24 0.146 7.794 -10.480 150 HB3 SER 24 2HB SER 24 1.623 7.663 -9.526 151 HG SER 24 HG SER 24 -0.315 9.655 -9.549 152 H GLU 25 H GLU 25 3.180 10.948 -11.699 153 HA GLU 25 HA GLU 25 5.785 10.042 -11.338 154 HB2 GLU 25 1HB GLU 25 4.476 12.723 -11.240 155 HB3 GLU 25 2HB GLU 25 6.137 12.581 -10.684 156 HG2 GLU 25 1HG GLU 25 6.663 11.498 -12.895 157 HG3 GLU 25 2HG GLU 25 5.050 11.982 -13.418 158 H ASP 26 H ASP 26 3.347 10.505 -9.033 159 HA ASP 26 HA ASP 26 5.060 11.094 -6.797 160 HB2 ASP 26 1HB ASP 26 2.272 9.990 -6.571 161 HB3 ASP 26 2HB ASP 26 3.115 11.087 -5.481 162 H VAL 27 H VAL 27 5.314 9.674 -4.945 163 HA VAL 27 HA VAL 27 6.101 7.039 -5.745 164 HB VAL 27 HB VAL 27 6.006 8.251 -2.979 165 HG11 VAL 27 1HG1 VAL 27 7.651 6.482 -2.429 166 HG12 VAL 27 2HG1 VAL 27 6.061 5.844 -2.854 167 HG13 VAL 27 3HG1 VAL 27 7.380 5.778 -4.023 168 HG21 VAL 27 1HG2 VAL 27 8.557 8.331 -3.458 169 HG22 VAL 27 2HG2 VAL 27 8.064 8.271 -5.150 170 HG23 VAL 27 3HG2 VAL 27 7.513 9.590 -4.117 171 H TRP 28 H TRP 28 5.140 5.111 -5.350 172 HA TRP 28 HA TRP 28 2.574 5.151 -3.902 173 HB2 TRP 28 1HB TRP 28 3.271 3.938 -6.553 174 HB3 TRP 28 2HB TRP 28 2.018 3.200 -5.559 175 HD1 TRP 28 HD TRP 28 2.812 6.601 -7.230 176 HE1 TRP 28 1HE TRP 28 0.579 7.759 -7.777 177 HE3 TRP 28 3HE TRP 28 -0.392 3.234 -5.101 178 HZ2 TRP 28 2HZ TRP 28 -2.175 7.305 -7.361 179 HZ3 TRP 28 3HZ TRP 28 -2.810 3.670 -5.219 180 HH2 TRP 28 HH TRP 28 -3.682 5.664 -6.326 181 H MET 29 H MET 29 2.660 3.936 -2.141 182 HA MET 29 HA MET 29 4.651 1.808 -1.952 183 HB2 MET 29 1HB MET 29 3.100 3.434 -0.004 184 HB3 MET 29 2HB MET 29 3.563 1.811 0.488 185 HG2 MET 29 1HG MET 29 5.916 2.377 -0.056 186 HG3 MET 29 2HG MET 29 5.397 4.030 -0.380 187 HE1 MET 29 1HE MET 29 6.936 1.783 1.626 188 HE2 MET 29 2HE MET 29 7.209 2.642 3.142 189 HE3 MET 29 3HE MET 29 5.894 1.473 3.015 190 H VAL 30 H VAL 30 3.956 -0.047 -2.832 191 HA VAL 30 HA VAL 30 1.180 -0.873 -2.536 192 HB VAL 30 HB VAL 30 3.460 -2.228 -3.984 193 HG11 VAL 30 1HG1 VAL 30 0.499 -2.800 -3.977 194 HG12 VAL 30 2HG1 VAL 30 1.671 -3.542 -5.067 195 HG13 VAL 30 3HG1 VAL 30 1.773 -3.832 -3.330 196 HG21 VAL 30 1HG2 VAL 30 1.341 -1.203 -5.645 197 HG22 VAL 30 2HG2 VAL 30 2.045 0.084 -4.666 198 HG23 VAL 30 3HG2 VAL 30 3.075 -0.888 -5.718 199 H GLU 31 H GLU 31 0.481 -2.271 -1.057 200 HA GLU 31 HA GLU 31 2.470 -3.933 0.346 201 HB2 GLU 31 1HB GLU 31 1.846 -2.331 1.946 202 HB3 GLU 31 2HB GLU 31 0.163 -2.346 1.437 203 HG2 GLU 31 1HG GLU 31 0.429 -3.428 3.587 204 HG3 GLU 31 2HG GLU 31 -0.111 -4.579 2.367 205 H PHE 32 H PHE 32 2.132 -5.842 -0.689 206 HA PHE 32 HA PHE 32 -0.442 -6.823 -1.399 207 HB2 PHE 32 1HB PHE 32 2.149 -8.356 -1.104 208 HB3 PHE 32 2HB PHE 32 0.715 -8.894 -1.971 209 HD1 PHE 32 2HD PHE 32 3.499 -6.487 -1.982 210 HD2 PHE 32 1HD PHE 32 0.254 -8.151 -4.177 211 HE1 PHE 32 2HE PHE 32 4.352 -5.433 -4.035 212 HE2 PHE 32 1HE PHE 32 1.102 -7.100 -6.233 213 HZ PHE 32 HZ PHE 32 3.152 -5.738 -6.164 214 H TYR 33 H TYR 33 -1.901 -7.837 -0.192 215 HA TYR 33 HA TYR 33 -1.024 -9.202 2.257 216 HB2 TYR 33 1HB TYR 33 -2.717 -8.214 3.579 217 HB3 TYR 33 2HB TYR 33 -1.990 -6.880 2.692 218 HD1 TYR 33 1HD TYR 33 -4.868 -9.243 2.581 219 HD2 TYR 33 2HD TYR 33 -3.338 -5.436 1.456 220 HE1 TYR 33 1HE TYR 33 -7.088 -8.608 1.732 221 HE2 TYR 33 2HE TYR 33 -5.553 -4.790 0.605 222 HH TYR 33 HH TYR 33 -7.642 -6.149 -0.305 223 H ALA 34 H ALA 34 -2.787 -10.632 3.145 224 HA ALA 34 HA ALA 34 -4.380 -11.788 0.951 225 HB1 ALA 34 1HB ALA 34 -3.996 -13.943 2.488 226 HB2 ALA 34 2HB ALA 34 -2.908 -13.492 1.174 227 HB3 ALA 34 3HB ALA 34 -2.503 -13.072 2.838 228 HA PRO 35 HA PRO 35 -7.788 -11.041 3.681 229 HB2 PRO 35 1HB PRO 35 -9.652 -12.417 2.265 230 HB3 PRO 35 2HB PRO 35 -9.055 -10.826 1.776 231 HG2 PRO 35 1HG PRO 35 -8.258 -13.536 0.783 232 HG3 PRO 35 2HG PRO 35 -8.560 -12.051 -0.138 233 HD2 PRO 35 1HD PRO 35 -6.064 -12.908 0.466 234 HD3 PRO 35 2HD PRO 35 -6.476 -11.187 0.331 235 H TRP 36 H TRP 36 -6.369 -14.063 2.995 236 HA TRP 36 HA TRP 36 -7.988 -15.354 5.092 237 HB2 TRP 36 1HB TRP 36 -6.992 -17.501 3.965 238 HB3 TRP 36 2HB TRP 36 -8.376 -16.688 3.239 239 HD1 TRP 36 HD TRP 36 -8.151 -16.221 0.736 240 HE1 TRP 36 1HE TRP 36 -6.209 -16.059 -0.945 241 HE3 TRP 36 3HE TRP 36 -4.230 -16.747 3.974 242 HZ2 TRP 36 2HZ TRP 36 -3.388 -16.144 -0.904 243 HZ3 TRP 36 3HZ TRP 36 -1.941 -16.696 3.072 244 HH2 TRP 36 HH TRP 36 -1.531 -16.401 0.684 245 H CYS 37 H CYS 37 -5.403 -13.688 5.095 246 HA CYS 37 HA CYS 37 -3.796 -15.620 6.634 247 HB2 CYS 37 1HB CYS 37 -2.762 -14.827 4.463 248 HB3 CYS 37 2HB CYS 37 -2.697 -13.218 5.171 249 HG CYS 37 HG CYS 37 -0.415 -13.549 6.278 250 H GLY 38 H GLY 38 -3.110 -15.025 8.639 251 HA2 GLY 38 1HA GLY 38 -4.494 -12.923 9.954 252 HA3 GLY 38 2HA GLY 38 -3.205 -13.900 10.642 253 H HIS 39 H HIS 39 -1.075 -13.304 9.046 254 HA HIS 39 HA HIS 39 0.039 -11.074 10.124 255 HB2 HIS 39 1HB HIS 39 0.569 -11.938 7.278 256 HB3 HIS 39 2HB HIS 39 1.682 -11.119 8.371 257 HD1 HIS 39 1HD HIS 39 1.455 -14.218 6.941 258 HD2 HIS 39 2HD HIS 39 1.719 -13.030 10.914 259 HE1 HIS 39 1HE HIS 39 2.343 -16.216 8.183 260 HE2 HIS 39 2HE HIS 39 2.414 -15.501 10.597 261 H CYS 40 H CYS 40 -2.369 -11.180 7.670 262 HA CYS 40 HA CYS 40 -1.925 -8.416 6.868 263 HB2 CYS 40 1HB CYS 40 -2.532 -9.612 4.990 264 HB3 CYS 40 2HB CYS 40 -3.623 -10.664 5.882 265 HG CYS 40 HG CYS 40 -5.757 -9.040 5.891 266 H LYS 41 H LYS 41 -4.466 -10.377 8.391 267 HA LYS 41 HA LYS 41 -6.377 -8.441 8.820 268 HB2 LYS 41 1HB LYS 41 -7.370 -9.914 10.280 269 HB3 LYS 41 2HB LYS 41 -6.293 -11.005 9.419 270 HG2 LYS 41 1HG LYS 41 -4.744 -11.037 11.206 271 HG3 LYS 41 2HG LYS 41 -5.546 -9.689 12.015 272 HD2 LYS 41 1HD LYS 41 -6.050 -11.866 13.064 273 HD3 LYS 41 2HD LYS 41 -7.493 -11.059 12.447 274 HE2 LYS 41 1HE LYS 41 -7.270 -12.454 10.375 275 HE3 LYS 41 2HE LYS 41 -5.991 -13.351 11.193 276 HZ1 LYS 41 1HZ LYS 41 -8.854 -13.468 11.565 277 HZ2 LYS 41 2HZ LYS 41 -7.967 -13.430 13.005 278 HZ3 LYS 41 3HZ LYS 41 -7.674 -14.643 11.863 279 H ASN 42 H ASN 42 -3.384 -8.993 10.552 280 HA ASN 42 HA ASN 42 -4.035 -7.089 12.631 281 HB2 ASN 42 1HB ASN 42 -2.675 -8.726 13.517 282 HB3 ASN 42 2HB ASN 42 -1.738 -8.899 12.036 283 HD21 ASN 42 1HD2 ASN 42 0.283 -8.351 12.352 284 HD22 ASN 42 2HD2 ASN 42 0.847 -7.028 13.309 285 H LEU 43 H LEU 43 -2.417 -7.119 9.571 286 HA LEU 43 HA LEU 43 -1.017 -4.632 10.009 287 HB2 LEU 43 1HB LEU 43 -0.003 -6.251 8.563 288 HB3 LEU 43 2HB LEU 43 -1.449 -6.330 7.559 289 HG LEU 43 HG LEU 43 -0.986 -3.872 7.015 290 HD11 LEU 43 1HD1 LEU 43 0.681 -2.902 8.111 291 HD12 LEU 43 2HD1 LEU 43 1.794 -3.935 7.215 292 HD13 LEU 43 3HD1 LEU 43 1.203 -4.441 8.798 293 HD21 LEU 43 1HD2 LEU 43 1.014 -4.683 5.484 294 HD22 LEU 43 2HD2 LEU 43 -0.643 -5.223 5.211 295 HD23 LEU 43 3HD2 LEU 43 0.495 -6.266 6.066 296 H GLU 44 H GLU 44 -4.134 -5.598 8.990 297 HA GLU 44 HA GLU 44 -4.999 -3.789 7.173 298 HB2 GLU 44 1HB GLU 44 -6.731 -5.121 7.813 299 HB3 GLU 44 2HB GLU 44 -6.265 -5.095 9.508 300 HG2 GLU 44 1HG GLU 44 -8.394 -4.009 9.217 301 HG3 GLU 44 2HG GLU 44 -7.180 -2.832 9.716 302 HA PRO 45 HA PRO 45 -5.707 -0.368 10.505 303 HB2 PRO 45 1HB PRO 45 -4.703 -0.810 12.988 304 HB3 PRO 45 2HB PRO 45 -6.331 -1.302 12.509 305 HG2 PRO 45 1HG PRO 45 -3.830 -2.938 12.675 306 HG3 PRO 45 2HG PRO 45 -5.474 -3.352 13.195 307 HD2 PRO 45 1HD PRO 45 -4.416 -4.241 10.867 308 HD3 PRO 45 2HD PRO 45 -6.147 -3.899 11.060 309 H GLU 46 H GLU 46 -2.704 -2.208 10.926 310 HA GLU 46 HA GLU 46 -1.021 -0.060 11.556 311 HB2 GLU 46 1HB GLU 46 -0.389 -2.649 10.130 312 HB3 GLU 46 2HB GLU 46 0.818 -1.538 10.762 313 HG2 GLU 46 1HG GLU 46 -0.082 -1.873 13.022 314 HG3 GLU 46 2HG GLU 46 -1.243 -3.028 12.371 315 H TRP 47 H TRP 47 -2.216 -1.251 8.492 316 HA TRP 47 HA TRP 47 -0.450 0.469 6.962 317 HB2 TRP 47 1HB TRP 47 -1.211 -1.850 6.225 318 HB3 TRP 47 2HB TRP 47 -2.783 -1.125 5.904 319 HD1 TRP 47 HD TRP 47 -3.096 -0.004 3.601 320 HE1 TRP 47 1HE TRP 47 -1.548 0.545 1.619 321 HE3 TRP 47 3HE TRP 47 1.404 -1.128 5.751 322 HZ2 TRP 47 2HZ TRP 47 1.215 0.506 1.043 323 HZ3 TRP 47 3HZ TRP 47 3.452 -0.845 4.416 324 HH2 TRP 47 HH TRP 47 3.357 -0.045 2.111 325 H ALA 48 H ALA 48 -3.878 0.272 7.805 326 HA ALA 48 HA ALA 48 -4.909 2.291 6.232 327 HB1 ALA 48 1HB ALA 48 -6.351 0.895 7.548 328 HB2 ALA 48 2HB ALA 48 -5.661 1.520 9.047 329 HB3 ALA 48 3HB ALA 48 -6.620 2.576 8.010 330 H ALA 49 H ALA 49 -3.613 2.623 9.538 331 HA ALA 49 HA ALA 49 -3.840 5.430 9.646 332 HB1 ALA 49 1HB ALA 49 -1.895 3.707 11.173 333 HB2 ALA 49 2HB ALA 49 -2.471 5.314 11.617 334 HB3 ALA 49 3HB ALA 49 -3.584 3.946 11.620 335 H ALA 50 H ALA 50 -1.033 3.346 8.964 336 HA ALA 50 HA ALA 50 0.950 5.179 8.636 337 HB1 ALA 50 1HB ALA 50 2.094 3.436 7.860 338 HB2 ALA 50 2HB ALA 50 0.601 2.505 7.984 339 HB3 ALA 50 3HB ALA 50 1.034 3.277 6.459 340 H ALA 51 H ALA 51 -1.301 4.150 6.067 341 HA ALA 51 HA ALA 51 -0.398 5.811 4.043 342 HB1 ALA 51 1HB ALA 51 -2.697 5.616 3.108 343 HB2 ALA 51 2HB ALA 51 -1.979 4.074 3.574 344 HB3 ALA 51 3HB ALA 51 -3.190 4.831 4.608 345 H SER 52 H SER 52 -2.666 6.503 6.659 346 HA SER 52 HA SER 52 -3.358 9.104 5.705 347 HB2 SER 52 1HB SER 52 -3.871 7.520 8.176 348 HB3 SER 52 2HB SER 52 -4.057 9.270 8.277 349 HG SER 52 HG SER 52 -5.482 7.412 6.724 350 H GLU 53 H GLU 53 -0.954 7.818 7.918 351 HA GLU 53 HA GLU 53 -0.120 10.397 8.871 352 HB2 GLU 53 1HB GLU 53 0.134 8.411 10.273 353 HB3 GLU 53 2HB GLU 53 1.208 7.690 9.082 354 HG2 GLU 53 1HG GLU 53 2.695 8.501 10.627 355 HG3 GLU 53 2HG GLU 53 2.638 9.820 9.458 356 H VAL 54 H VAL 54 0.646 8.362 6.192 357 HA VAL 54 HA VAL 54 3.200 9.573 5.634 358 HB VAL 54 HB VAL 54 1.455 7.706 4.033 359 HG11 VAL 54 1HG1 VAL 54 3.231 7.527 2.418 360 HG12 VAL 54 2HG1 VAL 54 2.756 9.220 2.560 361 HG13 VAL 54 3HG1 VAL 54 4.233 8.649 3.337 362 HG21 VAL 54 1HG2 VAL 54 2.443 6.127 5.240 363 HG22 VAL 54 2HG2 VAL 54 4.006 6.639 4.605 364 HG23 VAL 54 3HG2 VAL 54 3.390 7.341 6.100 365 H LYS 55 H LYS 55 -0.096 9.823 4.376 366 HA LYS 55 HA LYS 55 0.589 11.702 2.329 367 HB2 LYS 55 1HB LYS 55 -1.699 11.757 1.809 368 HB3 LYS 55 2HB LYS 55 -1.425 10.118 2.384 369 HG2 LYS 55 1HG LYS 55 -2.492 10.532 4.424 370 HG3 LYS 55 2HG LYS 55 -2.408 12.282 4.212 371 HD2 LYS 55 1HD LYS 55 -3.907 10.678 2.201 372 HD3 LYS 55 2HD LYS 55 -4.646 10.949 3.781 373 HE2 LYS 55 1HE LYS 55 -4.128 13.415 3.419 374 HE3 LYS 55 2HE LYS 55 -3.792 12.987 1.742 375 HZ1 LYS 55 1HZ LYS 55 -6.293 13.378 3.020 376 HZ2 LYS 55 2HZ LYS 55 -6.221 11.830 2.340 377 HZ3 LYS 55 3HZ LYS 55 -5.954 13.192 1.373 378 H GLU 56 H GLU 56 -0.239 11.902 5.682 379 HA GLU 56 HA GLU 56 -0.985 14.680 5.620 380 HB2 GLU 56 1HB GLU 56 -1.407 14.483 7.887 381 HB3 GLU 56 2HB GLU 56 -1.665 12.835 7.334 382 HG2 GLU 56 1HG GLU 56 0.483 12.158 8.135 383 HG3 GLU 56 2HG GLU 56 0.916 13.823 8.518 384 H GLN 57 H GLN 57 1.941 12.868 5.944 385 HA GLN 57 HA GLN 57 3.412 15.224 6.872 386 HB2 GLN 57 1HB GLN 57 4.244 12.336 6.571 387 HB3 GLN 57 2HB GLN 57 5.325 13.624 7.084 388 HG2 GLN 57 1HG GLN 57 3.900 14.040 9.029 389 HG3 GLN 57 2HG GLN 57 2.835 12.731 8.519 390 HE21 GLN 57 1HE2 GLN 57 4.314 10.691 7.916 391 HE22 GLN 57 2HE2 GLN 57 5.360 10.214 9.205 392 H THR 58 H THR 58 3.178 12.990 4.162 393 HA THR 58 HA THR 58 5.313 14.315 2.714 394 HB THR 58 HB THR 58 5.092 12.655 1.059 395 HG1 THR 58 1HG THR 58 2.588 11.877 2.170 396 HG21 THR 58 1HG2 THR 58 5.988 11.222 2.520 397 HG22 THR 58 2HG2 THR 58 4.361 10.595 2.781 398 HG23 THR 58 3HG2 THR 58 5.003 11.850 3.840 399 H LYS 59 H LYS 59 2.448 15.404 3.428 400 HA LYS 59 HA LYS 59 0.989 16.896 2.525 401 HB2 LYS 59 1HB LYS 59 3.158 17.152 0.434 402 HB3 LYS 59 2HB LYS 59 1.783 18.237 0.589 403 HG2 LYS 59 1HG LYS 59 3.674 17.787 2.868 404 HG3 LYS 59 2HG LYS 59 4.021 18.961 1.597 405 HD2 LYS 59 1HD LYS 59 1.383 18.992 3.014 406 HD3 LYS 59 2HD LYS 59 2.801 19.743 3.749 407 HE2 LYS 59 1HE LYS 59 3.089 21.027 1.599 408 HE3 LYS 59 2HE LYS 59 1.506 20.419 1.115 409 HZ1 LYS 59 1HZ LYS 59 1.882 22.701 2.442 410 HZ2 LYS 59 2HZ LYS 59 1.619 21.647 3.738 411 HZ3 LYS 59 3HZ LYS 59 0.454 21.797 2.521 412 H GLY 60 H GLY 60 0.981 14.021 1.712 413 HA2 GLY 60 1HA GLY 60 -0.661 12.865 0.509 414 HA3 GLY 60 2HA GLY 60 -0.965 14.320 -0.430 415 H LYS 61 H LYS 61 2.282 14.003 -0.424 416 HA LYS 61 HA LYS 61 2.462 13.306 -3.136 417 HB2 LYS 61 1HB LYS 61 4.196 14.615 -2.087 418 HB3 LYS 61 2HB LYS 61 4.558 13.314 -0.960 419 HG2 LYS 61 1HG LYS 61 6.263 13.188 -2.531 420 HG3 LYS 61 2HG LYS 61 5.132 11.931 -3.037 421 HD2 LYS 61 1HD LYS 61 4.399 13.145 -4.867 422 HD3 LYS 61 2HD LYS 61 4.901 14.688 -4.172 423 HE2 LYS 61 1HE LYS 61 7.082 14.424 -4.816 424 HE3 LYS 61 2HE LYS 61 6.997 12.664 -4.768 425 HZ1 LYS 61 1HZ LYS 61 6.522 14.451 -6.955 426 HZ2 LYS 61 2HZ LYS 61 5.260 13.345 -6.746 427 HZ3 LYS 61 3HZ LYS 61 6.842 12.790 -6.970 428 H VAL 62 H VAL 62 4.024 11.443 -0.541 429 HA VAL 62 HA VAL 62 4.033 9.049 -2.076 430 HB VAL 62 HB VAL 62 4.381 9.142 0.909 431 HG11 VAL 62 1HG1 VAL 62 6.013 7.525 -0.992 432 HG12 VAL 62 2HG1 VAL 62 5.561 7.182 0.679 433 HG13 VAL 62 3HG1 VAL 62 4.371 7.008 -0.612 434 HG21 VAL 62 1HG2 VAL 62 6.805 9.583 0.436 435 HG22 VAL 62 2HG2 VAL 62 6.340 9.998 -1.213 436 HG23 VAL 62 3HG2 VAL 62 5.730 10.950 0.140 437 H LYS 63 H LYS 63 2.204 8.018 -2.560 438 HA LYS 63 HA LYS 63 0.031 7.912 -0.609 439 HB2 LYS 63 1HB LYS 63 0.185 7.148 -3.526 440 HB3 LYS 63 2HB LYS 63 -1.234 6.865 -2.526 441 HG2 LYS 63 1HG LYS 63 -1.719 9.119 -2.344 442 HG3 LYS 63 2HG LYS 63 -0.071 9.609 -2.744 443 HD2 LYS 63 1HD LYS 63 -0.403 9.379 -4.994 444 HD3 LYS 63 2HD LYS 63 -1.614 8.110 -4.795 445 HE2 LYS 63 1HE LYS 63 -2.957 9.836 -5.457 446 HE3 LYS 63 2HE LYS 63 -2.996 10.076 -3.711 447 HZ1 LYS 63 1HZ LYS 63 -0.787 11.432 -4.856 448 HZ2 LYS 63 2HZ LYS 63 -2.069 12.059 -3.948 449 HZ3 LYS 63 3HZ LYS 63 -2.219 11.903 -5.625 450 H LEU 64 H LEU 64 -0.993 5.912 -0.057 451 HA LEU 64 HA LEU 64 0.782 3.573 -0.312 452 HB2 LEU 64 1HB LEU 64 -0.609 4.738 2.033 453 HB3 LEU 64 2HB LEU 64 -0.528 2.980 1.931 454 HG LEU 64 HG LEU 64 1.992 3.275 1.680 455 HD11 LEU 64 1HD1 LEU 64 1.413 5.903 1.410 456 HD12 LEU 64 2HD1 LEU 64 2.980 5.277 1.923 457 HD13 LEU 64 3HD1 LEU 64 1.813 5.826 3.126 458 HD21 LEU 64 1HD2 LEU 64 0.812 4.178 4.300 459 HD22 LEU 64 2HD2 LEU 64 2.319 3.300 4.039 460 HD23 LEU 64 3HD2 LEU 64 0.773 2.509 3.731 461 H ALA 65 H ALA 65 -0.095 1.963 -1.414 462 HA ALA 65 HA ALA 65 -3.020 1.616 -1.322 463 HB1 ALA 65 1HB ALA 65 -1.832 0.586 -3.750 464 HB2 ALA 65 2HB ALA 65 -3.187 1.696 -3.539 465 HB3 ALA 65 3HB ALA 65 -1.536 2.314 -3.559 466 H ALA 66 H ALA 66 -3.711 -0.622 -1.920 467 HA ALA 66 HA ALA 66 -1.731 -2.624 -1.052 468 HB1 ALA 66 1HB ALA 66 -4.448 -2.076 -0.020 469 HB2 ALA 66 2HB ALA 66 -3.983 -3.770 -0.188 470 HB3 ALA 66 3HB ALA 66 -3.017 -2.685 0.812 471 H VAL 67 H VAL 67 -2.048 -4.769 -1.864 472 HA VAL 67 HA VAL 67 -3.847 -4.984 -4.176 473 HB VAL 67 HB VAL 67 -0.949 -5.839 -4.192 474 HG11 VAL 67 1HG1 VAL 67 -2.748 -5.807 -6.579 475 HG12 VAL 67 2HG1 VAL 67 -1.274 -6.734 -6.299 476 HG13 VAL 67 3HG1 VAL 67 -2.768 -7.182 -5.476 477 HG21 VAL 67 1HG2 VAL 67 -1.740 -3.311 -4.448 478 HG22 VAL 67 2HG2 VAL 67 -0.411 -3.983 -5.392 479 HG23 VAL 67 3HG2 VAL 67 -2.018 -3.843 -6.106 480 H ASP 68 H ASP 68 -4.792 -6.945 -4.448 481 HA ASP 68 HA ASP 68 -4.401 -8.886 -2.312 482 HB2 ASP 68 1HB ASP 68 -6.417 -9.986 -3.526 483 HB3 ASP 68 2HB ASP 68 -6.678 -8.492 -2.629 484 H ALA 69 H ALA 69 -2.526 -9.970 -2.795 485 HA ALA 69 HA ALA 69 -1.640 -10.832 -5.271 486 HB1 ALA 69 1HB ALA 69 -0.708 -11.022 -2.722 487 HB2 ALA 69 2HB ALA 69 -1.086 -12.706 -3.087 488 HB3 ALA 69 3HB ALA 69 0.022 -11.807 -4.123 489 H THR 70 H THR 70 -4.336 -11.907 -3.512 490 HA THR 70 HA THR 70 -4.412 -14.596 -4.505 491 HB THR 70 HB THR 70 -6.673 -14.691 -3.585 492 HG1 THR 70 1HG THR 70 -7.750 -12.873 -3.586 493 HG21 THR 70 1HG2 THR 70 -6.143 -14.127 -1.230 494 HG22 THR 70 2HG2 THR 70 -4.699 -13.281 -1.785 495 HG23 THR 70 3HG2 THR 70 -4.850 -15.022 -2.027 496 H VAL 71 H VAL 71 -5.517 -11.493 -5.611 497 HA VAL 71 HA VAL 71 -6.970 -12.779 -7.825 498 HB VAL 71 HB VAL 71 -7.163 -9.948 -6.788 499 HG11 VAL 71 1HG1 VAL 71 -7.854 -11.075 -9.343 500 HG12 VAL 71 2HG1 VAL 71 -9.298 -10.498 -8.509 501 HG13 VAL 71 3HG1 VAL 71 -7.946 -9.402 -8.795 502 HG21 VAL 71 1HG2 VAL 71 -9.156 -12.211 -6.722 503 HG22 VAL 71 2HG2 VAL 71 -8.224 -11.624 -5.345 504 HG23 VAL 71 3HG2 VAL 71 -9.418 -10.577 -6.113 505 H ASN 72 H ASN 72 -4.516 -10.373 -7.033 506 HA ASN 72 HA ASN 72 -3.988 -9.764 -9.805 507 HB2 ASN 72 1HB ASN 72 -2.907 -8.851 -7.173 508 HB3 ASN 72 2HB ASN 72 -1.931 -8.597 -8.617 509 HD21 ASN 72 1HD2 ASN 72 -5.200 -8.106 -7.356 510 HD22 ASN 72 2HD2 ASN 72 -5.478 -6.610 -8.174 511 H GLN 73 H GLN 73 -3.014 -11.258 -11.013 512 HA GLN 73 HA GLN 73 -0.870 -12.871 -9.816 513 HB2 GLN 73 1HB GLN 73 -2.526 -13.334 -12.301 514 HB3 GLN 73 2HB GLN 73 -1.203 -14.370 -11.781 515 HG2 GLN 73 1HG GLN 73 -3.475 -13.811 -9.929 516 HG3 GLN 73 2HG GLN 73 -3.650 -15.006 -11.213 517 HE21 GLN 73 1HE2 GLN 73 -2.845 -14.593 -8.062 518 HE22 GLN 73 2HE2 GLN 73 -1.886 -16.008 -7.816 519 H VAL 74 H VAL 74 -1.661 -10.779 -12.535 520 HA VAL 74 HA VAL 74 0.647 -11.049 -14.054 521 HB VAL 74 HB VAL 74 -0.932 -8.510 -13.619 522 HG11 VAL 74 1HG1 VAL 74 1.452 -8.884 -14.987 523 HG12 VAL 74 2HG1 VAL 74 0.215 -8.915 -16.245 524 HG13 VAL 74 3HG1 VAL 74 0.338 -7.528 -15.161 525 HG21 VAL 74 1HG2 VAL 74 -2.470 -9.206 -15.155 526 HG22 VAL 74 2HG2 VAL 74 -1.330 -10.266 -15.983 527 HG23 VAL 74 3HG2 VAL 74 -2.044 -10.766 -14.450 528 H LEU 75 H LEU 75 0.002 -8.811 -11.369 529 HA LEU 75 HA LEU 75 2.636 -7.688 -11.438 530 HB2 LEU 75 1HB LEU 75 0.641 -7.560 -9.188 531 HB3 LEU 75 2HB LEU 75 1.989 -6.465 -9.487 532 HG LEU 75 HG LEU 75 -0.407 -6.732 -11.299 533 HD11 LEU 75 1HD1 LEU 75 -1.431 -4.969 -10.240 534 HD12 LEU 75 2HD1 LEU 75 0.069 -4.387 -9.519 535 HD13 LEU 75 3HD1 LEU 75 -0.721 -5.823 -8.870 536 HD21 LEU 75 1HD2 LEU 75 0.441 -4.521 -12.120 537 HD22 LEU 75 2HD2 LEU 75 1.478 -5.898 -12.491 538 HD23 LEU 75 3HD2 LEU 75 1.903 -4.803 -11.175 539 H ALA 76 H ALA 76 0.942 -9.739 -9.059 540 HA ALA 76 HA ALA 76 2.993 -10.238 -7.315 541 HB1 ALA 76 1HB ALA 76 1.844 -12.595 -7.150 542 HB2 ALA 76 2HB ALA 76 1.007 -11.138 -6.612 543 HB3 ALA 76 3HB ALA 76 0.637 -11.836 -8.189 544 H SER 77 H SER 77 2.306 -11.948 -10.348 545 HA SER 77 HA SER 77 4.483 -13.772 -10.074 546 HB2 SER 77 1HB SER 77 2.419 -14.172 -11.465 547 HB3 SER 77 2HB SER 77 3.051 -13.006 -12.626 548 HG SER 77 HG SER 77 3.591 -15.186 -13.149 549 H ARG 78 H ARG 78 4.120 -10.566 -11.342 550 HA ARG 78 HA ARG 78 6.409 -10.520 -13.009 551 HB2 ARG 78 1HB ARG 78 4.588 -8.861 -13.158 552 HB3 ARG 78 2HB ARG 78 5.046 -8.230 -11.582 553 HG2 ARG 78 1HG ARG 78 7.267 -7.647 -12.516 554 HG3 ARG 78 2HG ARG 78 6.689 -8.162 -14.102 555 HD2 ARG 78 1HD ARG 78 4.784 -6.502 -13.759 556 HD3 ARG 78 2HD ARG 78 5.735 -5.864 -12.418 557 HE ARG 78 HE ARG 78 7.455 -5.895 -14.545 558 HH11 ARG 78 2HH1 ARG 78 4.340 -4.483 -13.893 559 HH12 ARG 78 1HH1 ARG 78 4.595 -3.121 -14.933 560 HH21 ARG 78 2HH2 ARG 78 7.802 -4.107 -15.917 561 HH22 ARG 78 1HH2 ARG 78 6.564 -2.908 -16.085 562 H TYR 79 H TYR 79 5.876 -9.619 -9.623 563 HA TYR 79 HA TYR 79 8.761 -9.189 -9.306 564 HB2 TYR 79 1HB TYR 79 6.590 -8.588 -7.295 565 HB3 TYR 79 2HB TYR 79 8.252 -8.009 -7.283 566 HD1 TYR 79 1HD TYR 79 8.981 -6.394 -9.087 567 HD2 TYR 79 2HD TYR 79 4.900 -7.396 -8.422 568 HE1 TYR 79 1HE TYR 79 8.292 -4.377 -10.315 569 HE2 TYR 79 2HE TYR 79 4.199 -5.383 -9.649 570 HH TYR 79 HH TYR 79 5.188 -3.134 -10.211 571 H GLY 80 H GLY 80 6.314 -11.468 -8.711 572 HA2 GLY 80 1HA GLY 80 6.521 -13.607 -7.845 573 HA3 GLY 80 2HA GLY 80 8.178 -13.229 -7.399 574 H ILE 81 H ILE 81 4.992 -11.913 -6.485 575 HA ILE 81 HA ILE 81 5.850 -11.728 -3.725 576 HB ILE 81 HB ILE 81 3.130 -11.101 -4.873 577 HG12 ILE 81 1HG1 ILE 81 4.975 -9.818 -5.966 578 HG13 ILE 81 2HG1 ILE 81 3.848 -8.804 -5.071 579 HG21 ILE 81 1HG2 ILE 81 2.530 -10.565 -2.804 580 HG22 ILE 81 2HG2 ILE 81 4.056 -11.238 -2.233 581 HG23 ILE 81 3HG2 ILE 81 3.939 -9.521 -2.618 582 HD11 ILE 81 1HD1 ILE 81 6.212 -9.728 -3.581 583 HD12 ILE 81 2HD1 ILE 81 6.509 -8.587 -4.893 584 HD13 ILE 81 3HD1 ILE 81 5.406 -8.159 -3.585 585 H ARG 82 H ARG 82 5.930 -13.649 -2.706 586 HA ARG 82 HA ARG 82 3.491 -15.302 -2.752 587 HB2 ARG 82 1HB ARG 82 4.797 -17.285 -2.594 588 HB3 ARG 82 2HB ARG 82 5.494 -16.327 -3.893 589 HG2 ARG 82 1HG ARG 82 6.625 -16.009 -1.168 590 HG3 ARG 82 2HG ARG 82 6.989 -17.489 -2.059 591 HD2 ARG 82 1HD ARG 82 7.332 -14.786 -3.313 592 HD3 ARG 82 2HD ARG 82 8.590 -15.488 -2.297 593 HE ARG 82 HE ARG 82 7.745 -17.307 -4.314 594 HH11 ARG 82 2HH1 ARG 82 9.704 -14.483 -3.756 595 HH12 ARG 82 1HH1 ARG 82 10.782 -14.811 -5.072 596 HH21 ARG 82 2HH2 ARG 82 9.157 -17.749 -6.049 597 HH22 ARG 82 1HH2 ARG 82 10.469 -16.668 -6.377 598 H GLY 83 H GLY 83 5.901 -13.692 -0.883 599 HA2 GLY 83 1HA GLY 83 4.820 -14.874 1.593 600 HA3 GLY 83 2HA GLY 83 6.396 -14.109 1.449 601 H PHE 84 H PHE 84 3.093 -13.669 2.172 602 HA PHE 84 HA PHE 84 3.358 -10.749 2.149 603 HB2 PHE 84 1HB PHE 84 0.801 -12.085 2.901 604 HB3 PHE 84 2HB PHE 84 1.067 -10.597 1.997 605 HD1 PHE 84 2HD PHE 84 2.835 -11.471 -0.152 606 HD2 PHE 84 1HD PHE 84 -0.542 -13.408 1.569 607 HE1 PHE 84 2HE PHE 84 2.462 -12.686 -2.259 608 HE2 PHE 84 1HE PHE 84 -0.919 -14.627 -0.534 609 HZ PHE 84 HZ PHE 84 0.582 -14.266 -2.452 610 HA PRO 85 HA PRO 85 1.858 -9.162 3.112 611 HB2 PRO 85 1HB PRO 85 2.879 -7.037 4.459 612 HB3 PRO 85 2HB PRO 85 1.363 -7.824 4.913 613 HG2 PRO 85 1HG PRO 85 4.097 -8.162 6.083 614 HG3 PRO 85 2HG PRO 85 2.536 -8.020 6.911 615 HD2 PRO 85 1HD PRO 85 3.767 -10.400 6.521 616 HD3 PRO 85 2HD PRO 85 2.000 -10.232 6.547 617 H THR 86 H THR 86 2.937 -7.477 1.826 618 HA THR 86 HA THR 86 5.851 -7.694 1.686 619 HB THR 86 HB THR 86 4.092 -8.045 -0.749 620 HG1 THR 86 1HG THR 86 5.025 -10.206 -0.684 621 HG21 THR 86 1HG2 THR 86 7.045 -7.833 -0.314 622 HG22 THR 86 2HG2 THR 86 6.039 -7.086 -1.555 623 HG23 THR 86 3HG2 THR 86 6.422 -8.805 -1.647 624 H ILE 87 H ILE 87 6.411 -5.636 2.044 625 HA ILE 87 HA ILE 87 4.875 -3.485 0.784 626 HB ILE 87 HB ILE 87 7.069 -3.305 2.852 627 HG12 ILE 87 1HG1 ILE 87 4.164 -2.746 3.356 628 HG13 ILE 87 2HG1 ILE 87 4.767 -4.397 3.431 629 HG21 ILE 87 1HG2 ILE 87 6.877 -1.302 1.463 630 HG22 ILE 87 2HG2 ILE 87 5.157 -1.206 1.838 631 HG23 ILE 87 3HG2 ILE 87 6.351 -0.991 3.118 632 HD11 ILE 87 1HD1 ILE 87 4.885 -3.702 5.624 633 HD12 ILE 87 2HD1 ILE 87 6.528 -3.420 5.048 634 HD13 ILE 87 3HD1 ILE 87 5.399 -2.072 5.190 635 H LYS 88 H LYS 88 5.532 -2.860 -1.157 636 HA LYS 88 HA LYS 88 8.430 -2.702 -1.672 637 HB2 LYS 88 1HB LYS 88 6.237 -3.465 -3.610 638 HB3 LYS 88 2HB LYS 88 7.914 -3.182 -4.059 639 HG2 LYS 88 1HG LYS 88 7.345 -5.183 -1.939 640 HG3 LYS 88 2HG LYS 88 6.993 -5.605 -3.616 641 HD2 LYS 88 1HD LYS 88 9.398 -4.722 -4.065 642 HD3 LYS 88 2HD LYS 88 9.619 -4.967 -2.331 643 HE2 LYS 88 1HE LYS 88 8.637 -7.322 -2.797 644 HE3 LYS 88 2HE LYS 88 9.060 -6.981 -4.474 645 HZ1 LYS 88 1HZ LYS 88 10.797 -8.184 -3.195 646 HZ2 LYS 88 2HZ LYS 88 10.989 -6.811 -2.227 647 HZ3 LYS 88 3HZ LYS 88 11.334 -6.734 -3.881 648 H ILE 89 H ILE 89 9.184 -0.905 -2.753 649 HA ILE 89 HA ILE 89 7.258 1.303 -2.998 650 HB ILE 89 HB ILE 89 10.244 1.330 -2.574 651 HG12 ILE 89 1HG1 ILE 89 9.361 2.781 -0.578 652 HG13 ILE 89 2HG1 ILE 89 7.837 1.964 -0.902 653 HG21 ILE 89 1HG2 ILE 89 8.411 3.690 -2.977 654 HG22 ILE 89 2HG2 ILE 89 10.135 3.751 -2.617 655 HG23 ILE 89 3HG2 ILE 89 9.579 3.092 -4.155 656 HD11 ILE 89 1HD1 ILE 89 10.293 0.960 0.330 657 HD12 ILE 89 2HD1 ILE 89 8.617 0.450 0.544 658 HD13 ILE 89 3HD1 ILE 89 9.548 -0.133 -0.836 659 H PHE 90 H PHE 90 7.157 2.551 -4.841 660 HA PHE 90 HA PHE 90 8.811 1.718 -7.121 661 HB2 PHE 90 1HB PHE 90 5.827 2.201 -7.250 662 HB3 PHE 90 2HB PHE 90 6.870 1.758 -8.597 663 HD1 PHE 90 1HD PHE 90 5.630 0.554 -5.314 664 HD2 PHE 90 2HD PHE 90 7.245 -0.477 -9.114 665 HE1 PHE 90 1HE PHE 90 5.224 -1.826 -4.837 666 HE2 PHE 90 2HE PHE 90 6.841 -2.858 -8.644 667 HZ PHE 90 HZ PHE 90 5.828 -3.535 -6.504 668 H GLN 91 H GLN 91 9.638 3.358 -8.264 669 HA GLN 91 HA GLN 91 8.508 6.045 -7.841 670 HB2 GLN 91 1HB GLN 91 11.415 5.254 -8.078 671 HB3 GLN 91 2HB GLN 91 10.836 6.915 -8.080 672 HG2 GLN 91 1HG GLN 91 9.901 6.568 -5.832 673 HG3 GLN 91 2HG GLN 91 10.559 4.933 -5.833 674 HE21 GLN 91 1HE2 GLN 91 11.684 5.616 -3.910 675 HE22 GLN 91 2HE2 GLN 91 13.166 6.493 -4.053 676 H LYS 92 H LYS 92 9.022 7.594 -9.587 677 HA LYS 92 HA LYS 92 8.510 6.381 -12.149 678 HB2 LYS 92 1HB LYS 92 7.345 8.426 -11.543 679 HB3 LYS 92 2HB LYS 92 8.874 9.270 -11.335 680 HG2 LYS 92 1HG LYS 92 8.326 10.000 -13.412 681 HG3 LYS 92 2HG LYS 92 9.209 8.537 -13.852 682 HD2 LYS 92 1HD LYS 92 6.303 8.259 -13.337 683 HD3 LYS 92 2HD LYS 92 6.783 9.102 -14.813 684 HE2 LYS 92 1HE LYS 92 7.880 6.410 -14.033 685 HE3 LYS 92 2HE LYS 92 6.425 6.603 -15.010 686 HZ1 LYS 92 1HZ LYS 92 8.291 6.294 -16.447 687 HZ2 LYS 92 2HZ LYS 92 9.159 7.534 -15.693 688 HZ3 LYS 92 3HZ LYS 92 7.777 7.898 -16.599 689 H GLY 93 H GLY 93 9.853 6.252 -13.894 690 HA2 GLY 93 1HA GLY 93 11.823 6.174 -15.068 691 HA3 GLY 93 2HA GLY 93 12.253 7.663 -14.238 692 H GLU 94 H GLU 94 11.551 5.038 -12.179 693 HA GLU 94 HA GLU 94 14.380 4.286 -11.986 694 HB2 GLU 94 1HB GLU 94 12.633 5.153 -9.676 695 HB3 GLU 94 2HB GLU 94 14.207 4.389 -9.499 696 HG2 GLU 94 1HG GLU 94 13.946 6.871 -11.129 697 HG3 GLU 94 2HG GLU 94 13.982 6.973 -9.370 698 H SER 95 H SER 95 14.544 2.431 -10.248 699 HA SER 95 HA SER 95 12.541 0.440 -11.035 700 HB2 SER 95 1HB SER 95 15.408 0.291 -10.188 701 HB3 SER 95 2HB SER 95 14.369 -1.112 -9.939 702 HG SER 95 HG SER 95 15.231 -1.346 -11.948 703 HA PRO 96 HA PRO 96 10.781 0.205 -7.018 704 HB2 PRO 96 1HB PRO 96 10.011 -2.398 -6.973 705 HB3 PRO 96 2HB PRO 96 9.189 -1.170 -7.943 706 HG2 PRO 96 1HG PRO 96 11.232 -3.191 -8.781 707 HG3 PRO 96 2HG PRO 96 9.743 -2.697 -9.607 708 HD2 PRO 96 1HD PRO 96 12.183 -1.769 -10.325 709 HD3 PRO 96 2HD PRO 96 10.707 -0.793 -10.478 710 H VAL 97 H VAL 97 11.294 -0.343 -4.932 711 HA VAL 97 HA VAL 97 13.629 -2.108 -4.571 712 HB VAL 97 HB VAL 97 14.055 -0.705 -2.480 713 HG11 VAL 97 1HG1 VAL 97 15.725 -0.042 -3.786 714 HG12 VAL 97 2HG1 VAL 97 14.740 -0.269 -5.233 715 HG13 VAL 97 3HG1 VAL 97 14.699 1.268 -4.368 716 HG21 VAL 97 1HG2 VAL 97 12.083 1.054 -3.916 717 HG22 VAL 97 2HG2 VAL 97 12.028 0.491 -2.246 718 HG23 VAL 97 3HG2 VAL 97 13.237 1.677 -2.737 719 H ASP 98 H ASP 98 13.790 -3.000 -2.316 720 HA ASP 98 HA ASP 98 11.149 -3.970 -1.504 721 HB2 ASP 98 1HB ASP 98 12.246 -5.835 -0.528 722 HB3 ASP 98 2HB ASP 98 13.049 -5.561 -2.072 723 H TYR 99 H TYR 99 10.193 -3.033 0.164 724 HA TYR 99 HA TYR 99 11.290 -1.097 1.807 725 HB2 TYR 99 1HB TYR 99 8.894 -1.366 1.611 726 HB3 TYR 99 2HB TYR 99 8.973 -2.964 2.345 727 HD1 TYR 99 1HD TYR 99 9.806 0.598 3.096 728 HD2 TYR 99 2HD TYR 99 8.559 -3.176 4.614 729 HE1 TYR 99 1HE TYR 99 9.471 1.607 5.314 730 HE2 TYR 99 2HE TYR 99 8.219 -2.177 6.835 731 HH TYR 99 HH TYR 99 7.699 0.348 7.658 732 H ASP 100 H ASP 100 11.638 -1.176 4.165 733 HA ASP 100 HA ASP 100 13.663 -2.959 4.866 734 HB2 ASP 100 1HB ASP 100 13.451 -0.831 5.989 735 HB3 ASP 100 2HB ASP 100 11.867 -1.274 6.619 736 H GLY 101 H GLY 101 10.398 -2.838 6.314 737 HA2 GLY 101 1HA GLY 101 9.385 -5.253 6.054 738 HA3 GLY 101 2HA GLY 101 10.718 -5.629 7.136 739 H GLY 102 H GLY 102 9.989 -2.634 8.043 740 HA2 GLY 102 1HA GLY 102 8.819 -3.352 10.478 741 HA3 GLY 102 2HA GLY 102 8.851 -1.725 9.816 742 H ARG 103 H ARG 103 6.966 -4.562 10.345 743 HA ARG 103 HA ARG 103 4.755 -3.758 8.693 744 HB2 ARG 103 1HB ARG 103 5.288 -6.139 9.266 745 HB3 ARG 103 2HB ARG 103 4.787 -5.802 10.917 746 HG2 ARG 103 1HG ARG 103 2.542 -5.404 10.242 747 HG3 ARG 103 2HG ARG 103 2.991 -5.429 8.536 748 HD2 ARG 103 1HD ARG 103 2.092 -7.537 8.839 749 HD3 ARG 103 2HD ARG 103 3.817 -7.832 9.049 750 HE ARG 103 HE ARG 103 1.759 -7.997 11.074 751 HH11 ARG 103 2HH1 ARG 103 5.165 -7.765 10.393 752 HH12 ARG 103 1HH1 ARG 103 5.648 -8.411 11.927 753 HH21 ARG 103 2HH2 ARG 103 2.382 -8.848 13.096 754 HH22 ARG 103 1HH2 ARG 103 4.064 -9.027 13.463 755 H THR 104 H THR 104 5.337 -1.602 10.202 756 HA THR 104 HA THR 104 2.930 -1.333 11.821 757 HB THR 104 HB THR 104 4.245 -0.136 13.620 758 HG1 THR 104 1HG THR 104 6.269 0.153 12.998 759 HG21 THR 104 1HG2 THR 104 4.915 -3.064 13.342 760 HG22 THR 104 2HG2 THR 104 3.329 -2.462 13.824 761 HG23 THR 104 3HG2 THR 104 4.739 -2.140 14.833 762 H ARG 105 H ARG 105 1.955 0.551 11.435 763 HA ARG 105 HA ARG 105 2.499 2.302 9.483 764 HB2 ARG 105 1HB ARG 105 0.991 3.799 10.441 765 HB3 ARG 105 2HB ARG 105 0.532 2.261 11.160 766 HG2 ARG 105 1HG ARG 105 2.133 2.974 13.075 767 HG3 ARG 105 2HG ARG 105 1.917 4.592 12.405 768 HD2 ARG 105 1HD ARG 105 -0.497 4.388 12.659 769 HD3 ARG 105 2HD ARG 105 -0.305 2.750 13.281 770 HE ARG 105 HE ARG 105 1.199 4.549 14.846 771 HH11 ARG 105 2HH1 ARG 105 -2.091 3.620 14.186 772 HH12 ARG 105 1HH1 ARG 105 -2.672 4.079 15.753 773 HH21 ARG 105 2HH2 ARG 105 0.446 5.157 16.912 774 HH22 ARG 105 1HH2 ARG 105 -1.229 4.954 17.302 775 H SER 106 H SER 106 3.938 2.362 12.695 776 HA SER 106 HA SER 106 5.190 4.838 12.626 777 HB2 SER 106 1HB SER 106 6.072 2.247 13.912 778 HB3 SER 106 2HB SER 106 6.864 3.797 14.199 779 HG SER 106 HG SER 106 4.971 4.573 15.094 780 H ASP 107 H ASP 107 6.586 1.690 11.700 781 HA ASP 107 HA ASP 107 8.952 2.840 10.615 782 HB2 ASP 107 1HB ASP 107 7.722 0.095 10.335 783 HB3 ASP 107 2HB ASP 107 9.278 0.535 9.635 784 H ILE 108 H ILE 108 6.118 1.318 9.077 785 HA ILE 108 HA ILE 108 6.731 1.617 6.440 786 HB ILE 108 HB ILE 108 4.034 2.096 7.712 787 HG12 ILE 108 1HG1 ILE 108 4.921 -0.403 6.301 788 HG13 ILE 108 2HG1 ILE 108 5.322 -0.149 7.996 789 HG21 ILE 108 1HG2 ILE 108 3.586 2.895 5.640 790 HG22 ILE 108 2HG2 ILE 108 4.928 2.029 4.895 791 HG23 ILE 108 3HG2 ILE 108 3.432 1.177 5.276 792 HD11 ILE 108 1HD1 ILE 108 3.110 -0.256 8.664 793 HD12 ILE 108 2HD1 ILE 108 2.501 0.095 7.047 794 HD13 ILE 108 3HD1 ILE 108 3.209 -1.480 7.399 795 H VAL 109 H VAL 109 5.401 4.103 8.586 796 HA VAL 109 HA VAL 109 5.291 6.093 6.518 797 HB VAL 109 HB VAL 109 5.021 6.312 9.516 798 HG11 VAL 109 1HG1 VAL 109 4.171 8.584 9.104 799 HG12 VAL 109 2HG1 VAL 109 5.864 8.411 8.639 800 HG13 VAL 109 3HG1 VAL 109 4.606 8.424 7.403 801 HG21 VAL 109 1HG2 VAL 109 2.705 6.999 7.947 802 HG22 VAL 109 2HG2 VAL 109 3.263 5.371 7.560 803 HG23 VAL 109 3HG2 VAL 109 2.876 5.798 9.227 804 H SER 110 H SER 110 7.379 5.494 9.331 805 HA SER 110 HA SER 110 9.038 7.671 9.220 806 HB2 SER 110 1HB SER 110 9.248 6.022 10.983 807 HB3 SER 110 2HB SER 110 9.772 4.797 9.827 808 HG SER 110 HG SER 110 11.374 6.877 9.546 809 H ARG 111 H ARG 111 9.047 4.841 7.144 810 HA ARG 111 HA ARG 111 11.503 5.553 5.823 811 HB2 ARG 111 1HB ARG 111 10.512 3.196 6.107 812 HB3 ARG 111 2HB ARG 111 9.448 3.621 4.773 813 HG2 ARG 111 1HG ARG 111 12.438 3.808 4.574 814 HG3 ARG 111 2HG ARG 111 11.544 2.335 4.192 815 HD2 ARG 111 1HD ARG 111 10.130 4.025 2.718 816 HD3 ARG 111 2HD ARG 111 11.640 4.934 2.755 817 HE ARG 111 HE ARG 111 11.111 2.546 1.285 818 HH11 ARG 111 2HH1 ARG 111 13.605 4.342 2.921 819 HH12 ARG 111 1HH1 ARG 111 14.892 3.669 1.975 820 HH21 ARG 111 2HH2 ARG 111 12.796 1.653 0.034 821 HH22 ARG 111 1HH2 ARG 111 14.430 2.140 0.333 822 H ALA 112 H ALA 112 8.052 5.619 4.978 823 HA ALA 112 HA ALA 112 8.144 6.505 2.393 824 HB1 ALA 112 1HB ALA 112 5.949 7.254 2.646 825 HB2 ALA 112 2HB ALA 112 6.114 6.000 3.876 826 HB3 ALA 112 3HB ALA 112 6.197 7.701 4.334 827 H LEU 113 H LEU 113 8.548 8.429 5.330 828 HA LEU 113 HA LEU 113 8.537 10.973 4.190 829 HB2 LEU 113 1HB LEU 113 9.774 9.790 6.634 830 HB3 LEU 113 2HB LEU 113 10.190 11.438 6.169 831 HG LEU 113 HG LEU 113 7.366 10.503 6.651 832 HD11 LEU 113 1HD1 LEU 113 7.747 11.971 8.770 833 HD12 LEU 113 2HD1 LEU 113 9.441 11.553 8.520 834 HD13 LEU 113 3HD1 LEU 113 8.246 10.279 8.765 835 HD21 LEU 113 1HD2 LEU 113 7.479 13.186 7.108 836 HD22 LEU 113 2HD2 LEU 113 6.965 12.439 5.596 837 HD23 LEU 113 3HD2 LEU 113 8.628 12.999 5.783 838 H ASP 114 H ASP 114 11.167 8.644 4.561 839 HA ASP 114 HA ASP 114 13.301 10.246 3.770 840 HB2 ASP 114 1HB ASP 114 13.333 7.846 4.680 841 HB3 ASP 114 2HB ASP 114 13.063 7.338 3.015 842 H LEU 115 H LEU 115 11.016 8.382 1.817 843 HA LEU 115 HA LEU 115 12.292 9.002 -0.668 844 HB2 LEU 115 1HB LEU 115 9.448 8.105 -0.267 845 HB3 LEU 115 2HB LEU 115 10.445 7.919 -1.708 846 HG LEU 115 HG LEU 115 11.313 6.589 0.814 847 HD11 LEU 115 1HD1 LEU 115 9.342 5.279 -1.028 848 HD12 LEU 115 2HD1 LEU 115 8.823 6.169 0.404 849 HD13 LEU 115 3HD1 LEU 115 9.876 4.764 0.572 850 HD21 LEU 115 1HD2 LEU 115 11.794 4.838 -1.099 851 HD22 LEU 115 2HD2 LEU 115 12.870 6.206 -0.814 852 HD23 LEU 115 3HD2 LEU 115 11.686 6.272 -2.120 853 H PHE 116 H PHE 116 9.705 10.401 1.239 854 HA PHE 116 HA PHE 116 8.433 12.027 -0.565 855 HB2 PHE 116 1HB PHE 116 7.692 11.905 1.728 856 HB3 PHE 116 2HB PHE 116 9.194 12.624 2.298 857 HD1 PHE 116 2HD PHE 116 6.516 13.444 -0.174 858 HD2 PHE 116 1HD PHE 116 9.053 14.806 2.961 859 HE1 PHE 116 2HE PHE 116 5.496 15.678 -0.324 860 HE2 PHE 116 1HE PHE 116 8.036 17.042 2.816 861 HZ PHE 116 HZ PHE 116 6.257 17.481 1.171 862 H SER 117 H SER 117 11.055 13.222 1.535 863 HA SER 117 HA SER 117 11.529 15.608 0.260 864 HB2 SER 117 1HB SER 117 13.548 13.793 1.599 865 HB3 SER 117 2HB SER 117 13.829 15.488 1.201 866 HG SER 117 HG SER 117 11.617 14.717 2.767 867 H ASP 118 H ASP 118 13.203 12.525 -0.363 868 HA ASP 118 HA ASP 118 14.982 13.123 -2.269 869 HB2 ASP 118 1HB ASP 118 13.072 10.822 -2.066 870 HB3 ASP 118 2HB ASP 118 14.143 10.943 -3.460 871 H ASN 119 H ASN 119 11.494 12.833 -2.852 872 HA ASN 119 HA ASN 119 11.898 14.000 -5.521 873 HB2 ASN 119 1HB ASN 119 9.327 13.240 -5.604 874 HB3 ASN 119 2HB ASN 119 10.651 12.147 -5.995 875 HD21 ASN 119 1HD2 ASN 119 10.415 10.231 -5.129 876 HD22 ASN 119 2HD2 ASN 119 9.699 9.880 -3.596 877 H ALA 120 H ALA 120 9.126 14.017 -3.295 878 HA ALA 120 HA ALA 120 8.053 16.430 -3.976 879 HB1 ALA 120 1HB ALA 120 7.257 16.520 -1.540 880 HB2 ALA 120 2HB ALA 120 6.799 15.118 -2.507 881 HB3 ALA 120 3HB ALA 120 8.119 14.994 -1.344 882 HA PRO 121 HA PRO 121 10.931 19.545 -2.786 883 HB2 PRO 121 1HB PRO 121 9.223 21.648 -2.610 884 HB3 PRO 121 2HB PRO 121 9.737 20.954 -4.153 885 HG2 PRO 121 1HG PRO 121 7.204 20.503 -2.622 886 HG3 PRO 121 2HG PRO 121 7.430 20.749 -4.363 887 HD2 PRO 121 1HD PRO 121 7.058 18.298 -3.275 888 HD3 PRO 121 2HD PRO 121 8.057 18.560 -4.719 889 HA PRO 122 HA PRO 122 10.850 20.096 1.576 890 HB2 PRO 122 1HB PRO 122 11.993 22.542 1.859 891 HB3 PRO 122 2HB PRO 122 12.905 21.104 1.385 892 HG2 PRO 122 1HG PRO 122 11.813 23.304 -0.326 893 HG3 PRO 122 2HG PRO 122 13.393 22.503 -0.407 894 HD2 PRO 122 1HD PRO 122 11.356 21.879 -2.079 895 HD3 PRO 122 2HD PRO 122 12.552 20.682 -1.543 896 HA PRO 123 HA PRO 123 7.332 22.396 2.873 897 HB2 PRO 123 1HB PRO 123 7.994 22.999 5.436 898 HB3 PRO 123 2HB PRO 123 7.553 21.368 4.916 899 HG2 PRO 123 1HG PRO 123 10.270 22.544 5.361 900 HG3 PRO 123 2HG PRO 123 9.651 20.949 5.827 901 HD2 PRO 123 1HD PRO 123 11.212 21.326 3.647 902 HD3 PRO 123 2HD PRO 123 9.954 20.075 3.716 903 H GLU 124 H GLU 124 7.163 24.308 1.797 904 HA GLU 124 HA GLU 124 8.981 26.459 2.025 905 HB2 GLU 124 1HB GLU 124 6.108 26.423 1.087 906 HB3 GLU 124 2HB GLU 124 7.205 27.783 0.893 907 HG2 GLU 124 1HG GLU 124 8.618 26.526 -0.564 908 HG3 GLU 124 2HG GLU 124 7.714 25.046 -0.243 909 H LEU 125 H LEU 125 8.127 28.718 2.678 910 HA LEU 125 HA LEU 125 7.770 28.750 5.454 911 HB2 LEU 125 1HB LEU 125 7.680 30.766 3.280 912 HB3 LEU 125 2HB LEU 125 6.981 31.216 4.834 913 HG LEU 125 HG LEU 125 9.368 31.921 4.447 914 HD11 LEU 125 1HD1 LEU 125 8.305 30.454 6.779 915 HD12 LEU 125 2HD1 LEU 125 8.910 32.105 6.652 916 HD13 LEU 125 3HD1 LEU 125 10.042 30.757 6.761 917 HD21 LEU 125 1HD2 LEU 125 10.241 29.181 5.163 918 HD22 LEU 125 2HD2 LEU 125 11.072 30.433 4.240 919 HD23 LEU 125 3HD2 LEU 125 9.797 29.478 3.482 920 H LEU 126 H LEU 126 5.928 30.101 6.482 921 HA LEU 126 HA LEU 126 3.330 29.578 5.270 922 HB2 LEU 126 1HB LEU 126 2.454 28.411 7.159 923 HB3 LEU 126 2HB LEU 126 3.907 27.577 6.612 924 HG LEU 126 HG LEU 126 4.053 29.530 8.877 925 HD11 LEU 126 1HD1 LEU 126 2.394 27.267 8.904 926 HD12 LEU 126 2HD1 LEU 126 2.905 28.251 10.275 927 HD13 LEU 126 3HD1 LEU 126 3.842 26.831 9.811 928 HD21 LEU 126 1HD2 LEU 126 6.026 28.436 9.416 929 HD22 LEU 126 2HD2 LEU 126 6.046 28.431 7.652 930 HD23 LEU 126 3HD2 LEU 126 5.577 26.976 8.534 931 H GLU 127 H GLU 127 1.631 30.830 6.140 932 HA GLU 127 HA GLU 127 2.302 32.784 8.198 933 HB2 GLU 127 1HB GLU 127 1.524 34.668 6.820 934 HB3 GLU 127 2HB GLU 127 2.949 33.900 6.135 935 HG2 GLU 127 1HG GLU 127 1.677 32.837 4.445 936 HG3 GLU 127 2HG GLU 127 0.157 33.268 5.227 937 H SER 128 H SER 128 0.620 33.234 9.492 938 HA SER 128 HA SER 128 -2.060 32.392 8.600 939 HB2 SER 128 1HB SER 128 -0.860 30.977 10.416 940 HB3 SER 128 2HB SER 128 -1.218 32.332 11.487 941 HG SER 128 HG SER 128 -3.184 31.021 9.923 942 H GLY 129 H GLY 129 -3.558 33.934 8.615 943 HA2 GLY 129 1HA GLY 129 -2.901 36.536 9.723 944 HA3 GLY 129 2HA GLY 129 -4.297 36.145 8.730 945 HA PRO 130 HA PRO 130 -5.881 36.826 12.994 946 HB2 PRO 130 1HB PRO 130 -8.143 38.087 12.182 947 HB3 PRO 130 2HB PRO 130 -6.604 38.927 12.407 948 HG2 PRO 130 1HG PRO 130 -7.866 37.928 9.882 949 HG3 PRO 130 2HG PRO 130 -7.040 39.468 10.187 950 HD2 PRO 130 1HD PRO 130 -5.835 37.391 8.935 951 HD3 PRO 130 2HD PRO 130 -4.946 38.533 9.963 952 H SER 131 H SER 131 -7.176 35.383 10.108 953 HA SER 131 HA SER 131 -9.554 34.312 11.194 954 HB2 SER 131 1HB SER 131 -9.429 32.731 9.243 955 HB3 SER 131 2HB SER 131 -9.303 34.434 8.802 956 HG SER 131 HG SER 131 -7.341 32.434 8.786 957 H SER 132 H SER 132 -9.527 33.075 12.961 958 HA SER 132 HA SER 132 -7.881 30.653 12.918 959 HB2 SER 132 1HB SER 132 -7.982 32.677 15.155 960 HB3 SER 132 2HB SER 132 -7.462 31.011 15.410 961 HG SER 132 HG SER 132 -5.737 31.343 14.086 962 H GLY 133 H GLY 133 -8.642 28.985 14.405 963 HA2 GLY 133 1HA GLY 133 -11.239 29.307 15.627 964 HA3 GLY 133 2HA GLY 133 -11.256 28.310 14.180 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -8.601 7.001 -4.205 2 HA2 GLY 1 1HA GLY 1 -9.803 6.157 -6.299 3 HA3 GLY 1 2HA GLY 1 -9.662 4.587 -5.523 4 H SER 2 H SER 2 -11.785 4.137 -5.192 5 HA SER 2 HA SER 2 -13.394 6.110 -3.727 6 HB2 SER 2 1HB SER 2 -14.450 5.347 -5.762 7 HB3 SER 2 2HB SER 2 -14.200 3.660 -5.312 8 HG SER 2 HG SER 2 -15.656 5.356 -3.610 9 H SER 3 H SER 3 -13.106 5.862 -1.597 10 HA SER 3 HA SER 3 -13.238 3.133 -0.492 11 HB2 SER 3 1HB SER 3 -11.081 4.322 -0.105 12 HB3 SER 3 2HB SER 3 -11.964 5.572 0.772 13 HG SER 3 HG SER 3 -11.690 2.835 1.455 14 H GLY 4 H GLY 4 -14.102 3.092 1.807 15 HA2 GLY 4 1HA GLY 4 -16.141 5.139 2.297 16 HA3 GLY 4 2HA GLY 4 -16.675 3.476 2.103 17 H SER 5 H SER 5 -15.978 1.898 3.653 18 HA SER 5 HA SER 5 -15.673 3.075 6.304 19 HB2 SER 5 1HB SER 5 -16.475 1.024 7.176 20 HB3 SER 5 2HB SER 5 -17.427 1.301 5.718 21 HG SER 5 HG SER 5 -16.197 -0.201 4.642 22 H SER 6 H SER 6 -13.380 3.281 4.774 23 HA SER 6 HA SER 6 -11.557 1.577 6.304 24 HB2 SER 6 1HB SER 6 -11.530 1.905 3.300 25 HB3 SER 6 2HB SER 6 -10.143 1.314 4.215 26 HG SER 6 HG SER 6 -11.381 -0.430 4.898 27 H GLY 7 H GLY 7 -9.242 2.376 6.059 28 HA2 GLY 7 1HA GLY 7 -9.135 5.095 6.810 29 HA3 GLY 7 2HA GLY 7 -7.749 4.074 6.455 30 H ASP 8 H ASP 8 -6.495 5.007 4.995 31 HA ASP 8 HA ASP 8 -7.774 6.453 2.768 32 HB2 ASP 8 1HB ASP 8 -5.178 6.919 4.217 33 HB3 ASP 8 2HB ASP 8 -5.452 7.567 2.602 34 H VAL 9 H VAL 9 -6.861 3.538 3.206 35 HA VAL 9 HA VAL 9 -4.715 3.067 1.414 36 HB VAL 9 HB VAL 9 -6.908 1.144 2.198 37 HG11 VAL 9 1HG1 VAL 9 -5.324 -0.591 1.650 38 HG12 VAL 9 2HG1 VAL 9 -5.523 0.476 0.259 39 HG13 VAL 9 3HG1 VAL 9 -4.088 0.609 1.275 40 HG21 VAL 9 1HG2 VAL 9 -5.632 2.283 4.090 41 HG22 VAL 9 2HG2 VAL 9 -5.649 0.520 4.079 42 HG23 VAL 9 3HG2 VAL 9 -4.222 1.391 3.519 43 H ILE 10 H ILE 10 -4.695 2.482 -0.727 44 HA ILE 10 HA ILE 10 -7.222 2.886 -2.187 45 HB ILE 10 HB ILE 10 -4.399 3.344 -3.160 46 HG12 ILE 10 1HG1 ILE 10 -6.593 5.373 -2.718 47 HG13 ILE 10 2HG1 ILE 10 -5.360 5.013 -1.514 48 HG21 ILE 10 1HG2 ILE 10 -5.982 4.535 -4.987 49 HG22 ILE 10 2HG2 ILE 10 -5.365 2.891 -5.145 50 HG23 ILE 10 3HG2 ILE 10 -6.997 3.165 -4.535 51 HD11 ILE 10 1HD1 ILE 10 -5.231 6.856 -3.616 52 HD12 ILE 10 2HD1 ILE 10 -3.947 6.398 -2.495 53 HD13 ILE 10 3HD1 ILE 10 -4.119 5.552 -4.033 54 H GLU 11 H GLU 11 -7.926 1.351 -3.568 55 HA GLU 11 HA GLU 11 -6.402 -1.146 -3.660 56 HB2 GLU 11 1HB GLU 11 -8.780 -1.169 -2.901 57 HB3 GLU 11 2HB GLU 11 -9.257 -0.637 -4.507 58 HG2 GLU 11 1HG GLU 11 -8.171 -2.697 -5.418 59 HG3 GLU 11 2HG GLU 11 -7.958 -3.240 -3.755 60 H LEU 12 H LEU 12 -5.425 -1.841 -5.449 61 HA LEU 12 HA LEU 12 -6.074 -0.504 -7.995 62 HB2 LEU 12 1HB LEU 12 -3.400 -1.563 -7.091 63 HB3 LEU 12 2HB LEU 12 -3.740 -0.811 -8.648 64 HG LEU 12 HG LEU 12 -4.052 0.638 -6.027 65 HD11 LEU 12 1HD1 LEU 12 -1.721 -0.164 -6.356 66 HD12 LEU 12 2HD1 LEU 12 -1.882 1.592 -6.352 67 HD13 LEU 12 3HD1 LEU 12 -1.676 0.729 -7.876 68 HD21 LEU 12 1HD2 LEU 12 -4.379 2.535 -7.265 69 HD22 LEU 12 2HD2 LEU 12 -5.123 1.338 -8.325 70 HD23 LEU 12 3HD2 LEU 12 -3.489 1.915 -8.656 71 H THR 13 H THR 13 -5.440 -1.823 -9.935 72 HA THR 13 HA THR 13 -5.817 -4.702 -9.442 73 HB THR 13 HB THR 13 -7.047 -3.236 -11.778 74 HG1 THR 13 1HG THR 13 -7.972 -3.643 -9.169 75 HG21 THR 13 1HG2 THR 13 -6.881 -5.491 -12.347 76 HG22 THR 13 2HG2 THR 13 -8.504 -5.372 -11.668 77 HG23 THR 13 3HG2 THR 13 -7.188 -6.030 -10.697 78 H ASP 14 H ASP 14 -5.224 -6.037 -11.387 79 HA ASP 14 HA ASP 14 -2.591 -5.786 -12.063 80 HB2 ASP 14 1HB ASP 14 -2.908 -7.502 -13.616 81 HB3 ASP 14 2HB ASP 14 -4.252 -7.727 -12.500 82 H ASP 15 H ASP 15 -5.356 -4.334 -13.673 83 HA ASP 15 HA ASP 15 -3.582 -3.099 -15.654 84 HB2 ASP 15 1HB ASP 15 -5.720 -4.289 -16.347 85 HB3 ASP 15 2HB ASP 15 -6.596 -2.961 -15.592 86 H SER 16 H SER 16 -5.685 -2.370 -12.963 87 HA SER 16 HA SER 16 -5.452 0.498 -13.381 88 HB2 SER 16 1HB SER 16 -7.573 -0.618 -12.554 89 HB3 SER 16 2HB SER 16 -6.729 -0.915 -11.035 90 HG SER 16 HG SER 16 -7.899 1.347 -11.920 91 H PHE 17 H PHE 17 -3.226 -1.484 -12.541 92 HA PHE 17 HA PHE 17 -2.369 -0.125 -10.083 93 HB2 PHE 17 1HB PHE 17 -2.213 -2.418 -9.693 94 HB3 PHE 17 2HB PHE 17 -1.675 -2.761 -11.333 95 HD1 PHE 17 2HD PHE 17 0.655 -1.712 -11.966 96 HD2 PHE 17 1HD PHE 17 -0.672 -2.468 -7.993 97 HE1 PHE 17 2HE PHE 17 2.991 -1.736 -11.194 98 HE2 PHE 17 1HE PHE 17 1.662 -2.492 -7.215 99 HZ PHE 17 HZ PHE 17 3.497 -2.127 -8.816 100 H ASP 18 H ASP 18 -1.571 -0.628 -13.432 101 HA ASP 18 HA ASP 18 1.019 0.670 -13.165 102 HB2 ASP 18 1HB ASP 18 -0.266 -0.076 -15.778 103 HB3 ASP 18 2HB ASP 18 1.447 0.019 -15.376 104 H LYS 19 H LYS 19 -2.118 1.269 -14.702 105 HA LYS 19 HA LYS 19 -1.379 3.824 -15.737 106 HB2 LYS 19 1HB LYS 19 -3.524 3.943 -16.592 107 HB3 LYS 19 2HB LYS 19 -3.297 2.203 -16.463 108 HG2 LYS 19 1HG LYS 19 -4.577 2.131 -14.433 109 HG3 LYS 19 2HG LYS 19 -4.692 3.892 -14.398 110 HD2 LYS 19 1HD LYS 19 -5.819 3.666 -16.693 111 HD3 LYS 19 2HD LYS 19 -6.001 1.958 -16.286 112 HE2 LYS 19 1HE LYS 19 -6.876 4.019 -14.317 113 HE3 LYS 19 2HE LYS 19 -7.891 3.696 -15.722 114 HZ1 LYS 19 1HZ LYS 19 -7.019 1.730 -13.676 115 HZ2 LYS 19 2HZ LYS 19 -7.868 1.328 -15.083 116 HZ3 LYS 19 3HZ LYS 19 -8.588 2.316 -13.914 117 H ASN 20 H ASN 20 -1.959 2.779 -12.637 118 HA ASN 20 HA ASN 20 -3.035 5.366 -11.757 119 HB2 ASN 20 1HB ASN 20 -2.996 2.621 -10.556 120 HB3 ASN 20 2HB ASN 20 -3.131 4.024 -9.499 121 HD21 ASN 20 1HD2 ASN 20 -4.587 2.446 -12.294 122 HD22 ASN 20 2HD2 ASN 20 -6.193 3.016 -12.005 123 H VAL 21 H VAL 21 -0.280 3.223 -11.479 124 HA VAL 21 HA VAL 21 1.043 5.085 -9.641 125 HB VAL 21 HB VAL 21 1.773 2.289 -10.512 126 HG11 VAL 21 1HG1 VAL 21 3.843 3.405 -10.283 127 HG12 VAL 21 2HG1 VAL 21 3.303 4.268 -8.841 128 HG13 VAL 21 3HG1 VAL 21 3.593 2.529 -8.773 129 HG21 VAL 21 1HG2 VAL 21 0.475 1.708 -8.802 130 HG22 VAL 21 2HG2 VAL 21 1.633 2.494 -7.729 131 HG23 VAL 21 3HG2 VAL 21 0.242 3.392 -8.336 132 H LEU 22 H LEU 22 1.854 3.250 -12.594 133 HA LEU 22 HA LEU 22 4.186 4.668 -13.209 134 HB2 LEU 22 1HB LEU 22 2.318 3.388 -15.194 135 HB3 LEU 22 2HB LEU 22 4.043 3.691 -15.392 136 HG LEU 22 HG LEU 22 2.707 1.625 -13.660 137 HD11 LEU 22 1HD1 LEU 22 3.166 1.243 -16.132 138 HD12 LEU 22 2HD1 LEU 22 3.812 0.051 -15.004 139 HD13 LEU 22 3HD1 LEU 22 4.877 1.270 -15.704 140 HD21 LEU 22 1HD2 LEU 22 4.554 2.791 -12.443 141 HD22 LEU 22 2HD2 LEU 22 5.650 2.270 -13.723 142 HD23 LEU 22 3HD2 LEU 22 4.830 1.071 -12.721 143 H ASP 23 H ASP 23 0.818 5.297 -13.980 144 HA ASP 23 HA ASP 23 1.357 7.417 -15.822 145 HB2 ASP 23 1HB ASP 23 -0.768 6.019 -15.698 146 HB3 ASP 23 2HB ASP 23 -1.212 6.991 -14.297 147 H SER 24 H SER 24 1.943 7.240 -12.628 148 HA SER 24 HA SER 24 1.504 10.129 -12.250 149 HB2 SER 24 1HB SER 24 0.055 8.481 -10.848 150 HB3 SER 24 2HB SER 24 1.540 8.213 -9.934 151 HG SER 24 HG SER 24 1.354 10.130 -9.071 152 H GLU 25 H GLU 25 3.155 11.297 -11.338 153 HA GLU 25 HA GLU 25 5.746 9.953 -11.267 154 HB2 GLU 25 1HB GLU 25 6.702 12.203 -11.317 155 HB3 GLU 25 2HB GLU 25 5.550 11.979 -12.626 156 HG2 GLU 25 1HG GLU 25 3.885 13.247 -11.459 157 HG3 GLU 25 2HG GLU 25 4.907 13.348 -10.026 158 H ASP 26 H ASP 26 3.809 9.604 -9.111 159 HA ASP 26 HA ASP 26 5.331 10.818 -6.896 160 HB2 ASP 26 1HB ASP 26 2.426 9.970 -6.935 161 HB3 ASP 26 2HB ASP 26 3.280 10.616 -5.536 162 H VAL 27 H VAL 27 5.538 9.518 -4.955 163 HA VAL 27 HA VAL 27 6.299 6.837 -5.551 164 HB VAL 27 HB VAL 27 6.040 8.167 -2.850 165 HG11 VAL 27 1HG1 VAL 27 7.600 6.447 -2.092 166 HG12 VAL 27 2HG1 VAL 27 6.116 5.728 -2.721 167 HG13 VAL 27 3HG1 VAL 27 7.585 5.718 -3.698 168 HG21 VAL 27 1HG2 VAL 27 8.715 7.798 -3.942 169 HG22 VAL 27 2HG2 VAL 27 7.720 8.890 -4.905 170 HG23 VAL 27 3HG2 VAL 27 7.984 9.217 -3.192 171 H TRP 28 H TRP 28 5.081 5.074 -5.541 172 HA TRP 28 HA TRP 28 2.534 5.139 -4.060 173 HB2 TRP 28 1HB TRP 28 3.292 3.935 -6.698 174 HB3 TRP 28 2HB TRP 28 1.986 3.216 -5.759 175 HD1 TRP 28 HD TRP 28 2.884 6.406 -7.684 176 HE1 TRP 28 1HE TRP 28 0.717 7.709 -8.165 177 HE3 TRP 28 3HE TRP 28 -0.381 3.599 -4.926 178 HZ2 TRP 28 2HZ TRP 28 -2.015 7.566 -7.467 179 HZ3 TRP 28 3HZ TRP 28 -2.753 4.250 -4.886 180 HH2 TRP 28 HH TRP 28 -3.551 6.194 -6.130 181 H MET 29 H MET 29 2.698 4.021 -2.232 182 HA MET 29 HA MET 29 4.545 1.789 -2.021 183 HB2 MET 29 1HB MET 29 2.957 3.429 -0.104 184 HB3 MET 29 2HB MET 29 3.430 1.809 0.389 185 HG2 MET 29 1HG MET 29 5.777 2.380 -0.058 186 HG3 MET 29 2HG MET 29 5.279 4.015 -0.487 187 HE1 MET 29 1HE MET 29 6.868 2.011 1.630 188 HE2 MET 29 2HE MET 29 7.097 3.005 3.069 189 HE3 MET 29 3HE MET 29 5.884 1.723 3.065 190 H VAL 30 H VAL 30 3.745 0.044 -3.084 191 HA VAL 30 HA VAL 30 0.966 -0.740 -2.724 192 HB VAL 30 HB VAL 30 3.174 -1.974 -4.374 193 HG11 VAL 30 1HG1 VAL 30 0.408 -2.858 -3.765 194 HG12 VAL 30 2HG1 VAL 30 0.988 -3.057 -5.420 195 HG13 VAL 30 3HG1 VAL 30 1.858 -3.810 -4.082 196 HG21 VAL 30 1HG2 VAL 30 2.022 0.323 -4.935 197 HG22 VAL 30 2HG2 VAL 30 2.340 -0.864 -6.200 198 HG23 VAL 30 3HG2 VAL 30 0.723 -0.722 -5.512 199 H GLU 31 H GLU 31 0.352 -2.026 -1.126 200 HA GLU 31 HA GLU 31 2.333 -3.872 0.037 201 HB2 GLU 31 1HB GLU 31 1.852 -2.507 1.821 202 HB3 GLU 31 2HB GLU 31 0.220 -2.168 1.262 203 HG2 GLU 31 1HG GLU 31 0.829 -4.936 2.125 204 HG3 GLU 31 2HG GLU 31 0.712 -3.692 3.368 205 H PHE 32 H PHE 32 1.970 -5.826 -0.806 206 HA PHE 32 HA PHE 32 -0.649 -6.707 -1.585 207 HB2 PHE 32 1HB PHE 32 1.861 -8.373 -1.350 208 HB3 PHE 32 2HB PHE 32 0.432 -8.728 -2.315 209 HD1 PHE 32 2HD PHE 32 3.353 -6.499 -2.002 210 HD2 PHE 32 1HD PHE 32 0.160 -7.830 -4.482 211 HE1 PHE 32 2HE PHE 32 4.373 -5.354 -3.925 212 HE2 PHE 32 1HE PHE 32 1.176 -6.687 -6.410 213 HZ PHE 32 HZ PHE 32 3.285 -5.446 -6.133 214 H TYR 33 H TYR 33 -2.031 -8.018 -0.524 215 HA TYR 33 HA TYR 33 -1.155 -9.372 1.911 216 HB2 TYR 33 1HB TYR 33 -2.737 -8.386 3.331 217 HB3 TYR 33 2HB TYR 33 -2.103 -7.026 2.413 218 HD1 TYR 33 1HD TYR 33 -4.940 -9.429 2.536 219 HD2 TYR 33 2HD TYR 33 -3.550 -5.629 1.218 220 HE1 TYR 33 1HE TYR 33 -7.226 -8.839 1.845 221 HE2 TYR 33 2HE TYR 33 -5.832 -5.029 0.525 222 HH TYR 33 HH TYR 33 -7.905 -5.978 -0.003 223 H ALA 34 H ALA 34 -2.844 -10.866 2.748 224 HA ALA 34 HA ALA 34 -4.557 -11.864 0.566 225 HB1 ALA 34 1HB ALA 34 -2.929 -13.496 0.669 226 HB2 ALA 34 2HB ALA 34 -2.731 -13.338 2.415 227 HB3 ALA 34 3HB ALA 34 -4.158 -14.139 1.759 228 HA PRO 35 HA PRO 35 -7.893 -11.396 3.417 229 HB2 PRO 35 1HB PRO 35 -9.704 -12.975 2.153 230 HB3 PRO 35 2HB PRO 35 -9.257 -11.368 1.569 231 HG2 PRO 35 1HG PRO 35 -8.294 -14.050 0.654 232 HG3 PRO 35 2HG PRO 35 -8.754 -12.637 -0.314 233 HD2 PRO 35 1HD PRO 35 -6.173 -13.271 0.204 234 HD3 PRO 35 2HD PRO 35 -6.725 -11.595 0.016 235 H TRP 36 H TRP 36 -6.203 -14.275 2.865 236 HA TRP 36 HA TRP 36 -7.623 -15.593 5.087 237 HB2 TRP 36 1HB TRP 36 -6.538 -17.719 3.975 238 HB3 TRP 36 2HB TRP 36 -8.050 -17.059 3.356 239 HD1 TRP 36 HD TRP 36 -8.105 -16.644 0.831 240 HE1 TRP 36 1HE TRP 36 -6.350 -16.426 -1.039 241 HE3 TRP 36 3HE TRP 36 -3.861 -16.817 3.677 242 HZ2 TRP 36 2HZ TRP 36 -3.539 -16.340 -1.277 243 HZ3 TRP 36 3HZ TRP 36 -1.679 -16.661 2.550 244 HH2 TRP 36 HH TRP 36 -1.523 -16.428 0.125 245 H CYS 37 H CYS 37 -5.207 -13.749 4.900 246 HA CYS 37 HA CYS 37 -3.287 -15.525 6.257 247 HB2 CYS 37 1HB CYS 37 -2.533 -14.450 4.089 248 HB3 CYS 37 2HB CYS 37 -2.624 -12.901 4.920 249 HG CYS 37 HG CYS 37 -0.161 -13.028 5.616 250 H GLY 38 H GLY 38 -3.085 -15.206 8.368 251 HA2 GLY 38 1HA GLY 38 -4.395 -13.075 9.714 252 HA3 GLY 38 2HA GLY 38 -3.307 -14.245 10.445 253 H HIS 39 H HIS 39 -0.977 -13.729 9.022 254 HA HIS 39 HA HIS 39 0.195 -11.692 10.464 255 HB2 HIS 39 1HB HIS 39 0.923 -13.092 7.923 256 HB3 HIS 39 2HB HIS 39 1.874 -11.700 8.432 257 HD1 HIS 39 1HD HIS 39 3.429 -12.000 10.438 258 HD2 HIS 39 2HD HIS 39 1.151 -15.368 9.583 259 HE1 HIS 39 1HE HIS 39 4.421 -13.852 11.821 260 HE2 HIS 39 2HE HIS 39 3.081 -15.898 11.222 261 H CYS 40 H CYS 40 -1.862 -11.454 7.744 262 HA CYS 40 HA CYS 40 -1.000 -8.728 7.132 263 HB2 CYS 40 1HB CYS 40 -2.899 -10.639 5.776 264 HB3 CYS 40 2HB CYS 40 -2.772 -8.948 5.307 265 HG CYS 40 HG CYS 40 0.259 -9.806 5.257 266 H LYS 41 H LYS 41 -3.920 -10.501 8.104 267 HA LYS 41 HA LYS 41 -5.736 -8.456 8.281 268 HB2 LYS 41 1HB LYS 41 -7.037 -9.881 9.511 269 HB3 LYS 41 2HB LYS 41 -5.864 -11.035 8.889 270 HG2 LYS 41 1HG LYS 41 -4.647 -11.002 10.956 271 HG3 LYS 41 2HG LYS 41 -5.663 -9.700 11.580 272 HD2 LYS 41 1HD LYS 41 -6.883 -12.293 10.712 273 HD3 LYS 41 2HD LYS 41 -6.139 -12.146 12.306 274 HE2 LYS 41 1HE LYS 41 -7.609 -10.048 12.558 275 HE3 LYS 41 2HE LYS 41 -8.514 -10.691 11.189 276 HZ1 LYS 41 1HZ LYS 41 -9.530 -11.399 13.226 277 HZ2 LYS 41 2HZ LYS 41 -8.071 -12.034 13.800 278 HZ3 LYS 41 3HZ LYS 41 -8.840 -12.748 12.473 279 H ASN 42 H ASN 42 -3.088 -9.189 10.453 280 HA ASN 42 HA ASN 42 -3.926 -7.360 12.498 281 HB2 ASN 42 1HB ASN 42 -1.430 -8.952 11.982 282 HB3 ASN 42 2HB ASN 42 -1.459 -7.720 13.240 283 HD21 ASN 42 1HD2 ASN 42 -1.017 -10.420 13.742 284 HD22 ASN 42 2HD2 ASN 42 -2.342 -11.034 14.666 285 H LEU 43 H LEU 43 -2.011 -7.178 9.607 286 HA LEU 43 HA LEU 43 -0.830 -4.629 10.301 287 HB2 LEU 43 1HB LEU 43 0.602 -5.884 8.993 288 HB3 LEU 43 2HB LEU 43 -0.697 -6.472 7.957 289 HG LEU 43 HG LEU 43 -0.842 -4.118 7.030 290 HD11 LEU 43 1HD1 LEU 43 1.608 -3.085 7.309 291 HD12 LEU 43 2HD1 LEU 43 1.434 -3.838 8.894 292 HD13 LEU 43 3HD1 LEU 43 0.254 -2.646 8.351 293 HD21 LEU 43 1HD2 LEU 43 0.282 -6.099 5.948 294 HD22 LEU 43 2HD2 LEU 43 1.807 -5.473 6.576 295 HD23 LEU 43 3HD2 LEU 43 0.863 -4.515 5.435 296 H GLU 44 H GLU 44 -3.687 -5.776 8.803 297 HA GLU 44 HA GLU 44 -4.434 -4.010 6.919 298 HB2 GLU 44 1HB GLU 44 -6.148 -5.447 7.370 299 HB3 GLU 44 2HB GLU 44 -5.912 -5.354 9.109 300 HG2 GLU 44 1HG GLU 44 -7.127 -3.358 9.280 301 HG3 GLU 44 2HG GLU 44 -7.059 -3.071 7.543 302 HA PRO 45 HA PRO 45 -5.699 -0.627 10.129 303 HB2 PRO 45 1HB PRO 45 -4.909 -0.994 12.701 304 HB3 PRO 45 2HB PRO 45 -6.450 -1.591 12.075 305 HG2 PRO 45 1HG PRO 45 -3.878 -3.063 12.493 306 HG3 PRO 45 2HG PRO 45 -5.534 -3.579 12.860 307 HD2 PRO 45 1HD PRO 45 -4.206 -4.408 10.651 308 HD3 PRO 45 2HD PRO 45 -5.966 -4.177 10.676 309 H GLU 46 H GLU 46 -2.629 -2.282 10.661 310 HA GLU 46 HA GLU 46 -1.154 -0.009 11.476 311 HB2 GLU 46 1HB GLU 46 -0.368 -2.679 10.332 312 HB3 GLU 46 2HB GLU 46 0.831 -1.444 10.689 313 HG2 GLU 46 1HG GLU 46 0.066 -1.416 13.029 314 HG3 GLU 46 2HG GLU 46 -1.063 -2.715 12.652 315 H TRP 47 H TRP 47 -2.101 -1.250 8.373 316 HA TRP 47 HA TRP 47 -0.246 0.451 6.927 317 HB2 TRP 47 1HB TRP 47 -0.896 -1.855 6.143 318 HB3 TRP 47 2HB TRP 47 -2.502 -1.217 5.804 319 HD1 TRP 47 HD TRP 47 -2.851 -0.088 3.506 320 HE1 TRP 47 1HE TRP 47 -1.316 0.528 1.534 321 HE3 TRP 47 3HE TRP 47 1.679 -1.039 5.676 322 HZ2 TRP 47 2HZ TRP 47 1.450 0.599 0.972 323 HZ3 TRP 47 3HZ TRP 47 3.721 -0.672 4.353 324 HH2 TRP 47 HH TRP 47 3.606 0.130 2.050 325 H ALA 48 H ALA 48 -3.701 0.280 7.624 326 HA ALA 48 HA ALA 48 -4.621 2.295 5.945 327 HB1 ALA 48 1HB ALA 48 -6.390 1.256 6.894 328 HB2 ALA 48 2HB ALA 48 -5.575 1.041 8.444 329 HB3 ALA 48 3HB ALA 48 -6.279 2.603 8.027 330 H ALA 49 H ALA 49 -3.843 2.639 9.415 331 HA ALA 49 HA ALA 49 -4.057 5.385 9.598 332 HB1 ALA 49 1HB ALA 49 -2.229 3.505 11.080 333 HB2 ALA 49 2HB ALA 49 -2.468 5.197 11.518 334 HB3 ALA 49 3HB ALA 49 -3.824 4.071 11.577 335 H ALA 50 H ALA 50 -1.081 3.517 8.983 336 HA ALA 50 HA ALA 50 0.755 5.510 8.730 337 HB1 ALA 50 1HB ALA 50 0.783 2.857 8.232 338 HB2 ALA 50 2HB ALA 50 0.926 3.494 6.593 339 HB3 ALA 50 3HB ALA 50 2.104 3.952 7.823 340 H ALA 51 H ALA 51 -1.312 4.304 6.086 341 HA ALA 51 HA ALA 51 -0.493 5.922 4.036 342 HB1 ALA 51 1HB ALA 51 -3.053 5.853 3.412 343 HB2 ALA 51 2HB ALA 51 -2.055 4.400 3.351 344 HB3 ALA 51 3HB ALA 51 -3.107 4.689 4.736 345 H SER 52 H SER 52 -2.509 6.773 6.774 346 HA SER 52 HA SER 52 -3.226 9.354 5.713 347 HB2 SER 52 1HB SER 52 -4.508 7.852 7.448 348 HB3 SER 52 2HB SER 52 -3.469 8.664 8.619 349 HG SER 52 HG SER 52 -4.959 10.112 6.707 350 H GLU 53 H GLU 53 -1.045 8.143 8.239 351 HA GLU 53 HA GLU 53 -0.071 10.685 9.014 352 HB2 GLU 53 1HB GLU 53 0.176 8.830 10.517 353 HB3 GLU 53 2HB GLU 53 1.078 7.910 9.321 354 HG2 GLU 53 1HG GLU 53 2.677 8.686 10.838 355 HG3 GLU 53 2HG GLU 53 2.823 9.741 9.433 356 H VAL 54 H VAL 54 0.623 8.621 6.353 357 HA VAL 54 HA VAL 54 3.203 9.820 5.790 358 HB VAL 54 HB VAL 54 1.540 7.793 4.299 359 HG11 VAL 54 1HG1 VAL 54 4.281 8.810 3.559 360 HG12 VAL 54 2HG1 VAL 54 3.353 7.566 2.719 361 HG13 VAL 54 3HG1 VAL 54 2.787 9.237 2.727 362 HG21 VAL 54 1HG2 VAL 54 2.583 6.324 5.597 363 HG22 VAL 54 2HG2 VAL 54 4.135 6.876 4.966 364 HG23 VAL 54 3HG2 VAL 54 3.450 7.630 6.406 365 H LYS 55 H LYS 55 -0.066 9.839 4.423 366 HA LYS 55 HA LYS 55 0.551 11.564 2.254 367 HB2 LYS 55 1HB LYS 55 -1.683 11.448 1.717 368 HB3 LYS 55 2HB LYS 55 -1.517 9.994 2.692 369 HG2 LYS 55 1HG LYS 55 -2.471 11.088 4.598 370 HG3 LYS 55 2HG LYS 55 -2.479 12.640 3.756 371 HD2 LYS 55 1HD LYS 55 -4.017 11.614 2.065 372 HD3 LYS 55 2HD LYS 55 -4.115 10.192 3.106 373 HE2 LYS 55 1HE LYS 55 -5.235 11.350 4.786 374 HE3 LYS 55 2HE LYS 55 -4.711 12.922 4.185 375 HZ1 LYS 55 1HZ LYS 55 -6.715 11.124 2.935 376 HZ2 LYS 55 2HZ LYS 55 -6.142 12.549 2.227 377 HZ3 LYS 55 3HZ LYS 55 -7.014 12.616 3.675 378 H GLU 56 H GLU 56 -0.052 12.091 5.597 379 HA GLU 56 HA GLU 56 -0.817 14.861 5.295 380 HB2 GLU 56 1HB GLU 56 -1.219 14.869 7.560 381 HB3 GLU 56 2HB GLU 56 -1.434 13.161 7.202 382 HG2 GLU 56 1HG GLU 56 0.881 12.743 7.927 383 HG3 GLU 56 2HG GLU 56 1.032 14.447 8.351 384 H GLN 57 H GLN 57 2.056 13.043 6.260 385 HA GLN 57 HA GLN 57 3.593 15.408 6.811 386 HB2 GLN 57 1HB GLN 57 4.354 12.499 6.554 387 HB3 GLN 57 2HB GLN 57 5.504 13.770 6.948 388 HG2 GLN 57 1HG GLN 57 4.054 14.329 8.918 389 HG3 GLN 57 2HG GLN 57 3.144 12.860 8.567 390 HE21 GLN 57 1HE2 GLN 57 4.395 10.842 8.504 391 HE22 GLN 57 2HE2 GLN 57 5.716 10.660 9.603 392 H THR 58 H THR 58 3.434 13.027 4.194 393 HA THR 58 HA THR 58 5.461 14.388 2.651 394 HB THR 58 HB THR 58 5.264 12.667 1.059 395 HG1 THR 58 1HG THR 58 2.742 12.017 2.226 396 HG21 THR 58 1HG2 THR 58 5.332 11.991 3.844 397 HG22 THR 58 2HG2 THR 58 6.173 11.226 2.495 398 HG23 THR 58 3HG2 THR 58 4.553 10.692 2.941 399 H LYS 59 H LYS 59 2.548 15.384 3.372 400 HA LYS 59 HA LYS 59 0.980 16.737 2.430 401 HB2 LYS 59 1HB LYS 59 3.267 17.215 0.516 402 HB3 LYS 59 2HB LYS 59 1.772 18.141 0.495 403 HG2 LYS 59 1HG LYS 59 3.490 17.932 2.947 404 HG3 LYS 59 2HG LYS 59 3.747 19.164 1.709 405 HD2 LYS 59 1HD LYS 59 1.011 18.804 2.837 406 HD3 LYS 59 2HD LYS 59 2.228 19.640 3.805 407 HE2 LYS 59 1HE LYS 59 2.371 21.405 2.345 408 HE3 LYS 59 2HE LYS 59 1.874 20.437 0.958 409 HZ1 LYS 59 1HZ LYS 59 -0.014 21.621 1.285 410 HZ2 LYS 59 2HZ LYS 59 0.236 21.811 2.947 411 HZ3 LYS 59 3HZ LYS 59 -0.352 20.344 2.343 412 H GLY 60 H GLY 60 1.201 13.898 1.561 413 HA2 GLY 60 1HA GLY 60 -0.354 12.700 0.264 414 HA3 GLY 60 2HA GLY 60 -0.603 14.133 -0.722 415 H LYS 61 H LYS 61 2.593 14.056 -0.555 416 HA LYS 61 HA LYS 61 3.058 13.313 -3.174 417 HB2 LYS 61 1HB LYS 61 4.728 14.568 -2.053 418 HB3 LYS 61 2HB LYS 61 4.877 13.372 -0.773 419 HG2 LYS 61 1HG LYS 61 6.794 13.168 -2.142 420 HG3 LYS 61 2HG LYS 61 5.763 11.779 -2.495 421 HD2 LYS 61 1HD LYS 61 5.068 12.687 -4.554 422 HD3 LYS 61 2HD LYS 61 5.673 14.293 -4.141 423 HE2 LYS 61 1HE LYS 61 7.224 13.397 -5.675 424 HE3 LYS 61 2HE LYS 61 7.984 13.258 -4.090 425 HZ1 LYS 61 1HZ LYS 61 7.568 10.968 -4.022 426 HZ2 LYS 61 2HZ LYS 61 8.122 11.253 -5.594 427 HZ3 LYS 61 3HZ LYS 61 6.470 11.026 -5.309 428 H VAL 62 H VAL 62 4.081 11.369 -0.361 429 HA VAL 62 HA VAL 62 4.244 8.998 -2.004 430 HB VAL 62 HB VAL 62 4.582 9.215 0.989 431 HG11 VAL 62 1HG1 VAL 62 6.142 7.214 -0.411 432 HG12 VAL 62 2HG1 VAL 62 5.077 7.042 0.985 433 HG13 VAL 62 3HG1 VAL 62 4.410 6.985 -0.647 434 HG21 VAL 62 1HG2 VAL 62 6.080 10.707 -0.444 435 HG22 VAL 62 2HG2 VAL 62 6.876 9.614 0.689 436 HG23 VAL 62 3HG2 VAL 62 6.809 9.211 -1.027 437 H LYS 63 H LYS 63 2.347 8.125 -2.582 438 HA LYS 63 HA LYS 63 0.141 8.016 -0.681 439 HB2 LYS 63 1HB LYS 63 0.121 6.907 -3.480 440 HB3 LYS 63 2HB LYS 63 -1.245 7.435 -2.505 441 HG2 LYS 63 1HG LYS 63 -0.590 9.735 -2.737 442 HG3 LYS 63 2HG LYS 63 0.894 9.266 -3.571 443 HD2 LYS 63 1HD LYS 63 -0.415 9.773 -5.375 444 HD3 LYS 63 2HD LYS 63 -0.823 8.066 -5.189 445 HE2 LYS 63 1HE LYS 63 -2.403 10.300 -3.930 446 HE3 LYS 63 2HE LYS 63 -2.775 9.622 -5.514 447 HZ1 LYS 63 1HZ LYS 63 -2.869 7.406 -4.321 448 HZ2 LYS 63 2HZ LYS 63 -4.137 8.482 -4.018 449 HZ3 LYS 63 3HZ LYS 63 -2.903 8.288 -2.878 450 H LEU 64 H LEU 64 -0.969 6.035 -0.204 451 HA LEU 64 HA LEU 64 0.752 3.652 -0.419 452 HB2 LEU 64 1HB LEU 64 -0.693 4.827 1.888 453 HB3 LEU 64 2HB LEU 64 -0.654 3.069 1.767 454 HG LEU 64 HG LEU 64 1.885 3.312 1.602 455 HD11 LEU 64 1HD1 LEU 64 2.850 5.317 2.534 456 HD12 LEU 64 2HD1 LEU 64 1.250 6.024 2.756 457 HD13 LEU 64 3HD1 LEU 64 1.868 5.734 1.130 458 HD21 LEU 64 1HD2 LEU 64 0.414 4.031 4.134 459 HD22 LEU 64 2HD2 LEU 64 2.099 3.517 4.061 460 HD23 LEU 64 3HD2 LEU 64 0.817 2.411 3.563 461 H ALA 65 H ALA 65 -0.142 1.894 -1.295 462 HA ALA 65 HA ALA 65 -3.069 1.673 -1.381 463 HB1 ALA 65 1HB ALA 65 -2.528 2.577 -3.517 464 HB2 ALA 65 2HB ALA 65 -1.209 1.425 -3.736 465 HB3 ALA 65 3HB ALA 65 -2.881 0.863 -3.743 466 H ALA 66 H ALA 66 -3.801 -0.533 -1.960 467 HA ALA 66 HA ALA 66 -1.848 -2.581 -1.136 468 HB1 ALA 66 1HB ALA 66 -4.769 -2.786 -0.489 469 HB2 ALA 66 2HB ALA 66 -3.408 -3.645 0.234 470 HB3 ALA 66 3HB ALA 66 -3.650 -1.931 0.572 471 H VAL 67 H VAL 67 -2.619 -4.837 -1.749 472 HA VAL 67 HA VAL 67 -4.323 -4.991 -4.083 473 HB VAL 67 HB VAL 67 -1.390 -5.689 -4.296 474 HG11 VAL 67 1HG1 VAL 67 -2.958 -7.270 -5.436 475 HG12 VAL 67 2HG1 VAL 67 -3.521 -5.914 -6.415 476 HG13 VAL 67 3HG1 VAL 67 -1.840 -6.440 -6.518 477 HG21 VAL 67 1HG2 VAL 67 -3.062 -3.475 -5.439 478 HG22 VAL 67 2HG2 VAL 67 -1.532 -3.369 -4.568 479 HG23 VAL 67 3HG2 VAL 67 -1.567 -3.998 -6.215 480 H ASP 68 H ASP 68 -5.185 -6.996 -4.371 481 HA ASP 68 HA ASP 68 -4.604 -8.958 -2.297 482 HB2 ASP 68 1HB ASP 68 -6.790 -8.883 -4.388 483 HB3 ASP 68 2HB ASP 68 -6.653 -10.081 -3.104 484 H ALA 69 H ALA 69 -2.803 -10.085 -2.823 485 HA ALA 69 HA ALA 69 -1.904 -10.796 -5.343 486 HB1 ALA 69 1HB ALA 69 -1.538 -12.326 -2.770 487 HB2 ALA 69 2HB ALA 69 -0.561 -12.506 -4.228 488 HB3 ALA 69 3HB ALA 69 -0.537 -10.987 -3.332 489 H THR 70 H THR 70 -4.585 -12.009 -3.615 490 HA THR 70 HA THR 70 -4.692 -14.619 -4.753 491 HB THR 70 HB THR 70 -6.988 -14.709 -3.922 492 HG1 THR 70 1HG THR 70 -7.749 -12.758 -2.795 493 HG21 THR 70 1HG2 THR 70 -5.249 -15.139 -2.305 494 HG22 THR 70 2HG2 THR 70 -6.533 -14.215 -1.526 495 HG23 THR 70 3HG2 THR 70 -5.040 -13.413 -2.013 496 H VAL 71 H VAL 71 -5.712 -11.463 -5.791 497 HA VAL 71 HA VAL 71 -7.080 -12.655 -8.111 498 HB VAL 71 HB VAL 71 -7.304 -9.809 -7.127 499 HG11 VAL 71 1HG1 VAL 71 -9.494 -10.829 -8.704 500 HG12 VAL 71 2HG1 VAL 71 -8.498 -9.395 -8.958 501 HG13 VAL 71 3HG1 VAL 71 -7.968 -10.959 -9.577 502 HG21 VAL 71 1HG2 VAL 71 -9.423 -10.402 -6.161 503 HG22 VAL 71 2HG2 VAL 71 -9.279 -12.057 -6.751 504 HG23 VAL 71 3HG2 VAL 71 -8.185 -11.469 -5.499 505 H ASN 72 H ASN 72 -4.505 -10.546 -7.083 506 HA ASN 72 HA ASN 72 -3.923 -9.674 -9.792 507 HB2 ASN 72 1HB ASN 72 -2.858 -9.017 -7.074 508 HB3 ASN 72 2HB ASN 72 -1.866 -8.667 -8.486 509 HD21 ASN 72 1HD2 ASN 72 -5.075 -8.148 -7.112 510 HD22 ASN 72 2HD2 ASN 72 -5.328 -6.599 -7.833 511 H GLN 73 H GLN 73 -3.011 -11.153 -11.073 512 HA GLN 73 HA GLN 73 -0.895 -12.864 -9.957 513 HB2 GLN 73 1HB GLN 73 -2.528 -13.257 -12.471 514 HB3 GLN 73 2HB GLN 73 -1.320 -14.370 -11.842 515 HG2 GLN 73 1HG GLN 73 -3.577 -13.610 -10.072 516 HG3 GLN 73 2HG GLN 73 -3.895 -14.714 -11.409 517 HE21 GLN 73 1HE2 GLN 73 -3.630 -14.886 -8.341 518 HE22 GLN 73 2HE2 GLN 73 -2.659 -16.297 -8.113 519 H VAL 74 H VAL 74 -1.686 -10.595 -12.504 520 HA VAL 74 HA VAL 74 0.566 -10.907 -14.130 521 HB VAL 74 HB VAL 74 -0.947 -8.349 -13.581 522 HG11 VAL 74 1HG1 VAL 74 0.126 -7.377 -15.321 523 HG12 VAL 74 2HG1 VAL 74 1.394 -8.521 -14.875 524 HG13 VAL 74 3HG1 VAL 74 0.297 -8.892 -16.206 525 HG21 VAL 74 1HG2 VAL 74 -2.145 -10.539 -14.431 526 HG22 VAL 74 2HG2 VAL 74 -2.530 -8.961 -15.118 527 HG23 VAL 74 3HG2 VAL 74 -1.438 -10.052 -15.972 528 H LEU 75 H LEU 75 0.066 -8.955 -11.228 529 HA LEU 75 HA LEU 75 2.742 -7.850 -11.368 530 HB2 LEU 75 1HB LEU 75 0.895 -7.622 -9.020 531 HB3 LEU 75 2HB LEU 75 2.152 -6.506 -9.549 532 HG LEU 75 HG LEU 75 -0.443 -6.974 -11.014 533 HD11 LEU 75 1HD1 LEU 75 -1.183 -4.867 -10.113 534 HD12 LEU 75 2HD1 LEU 75 0.337 -4.663 -9.244 535 HD13 LEU 75 3HD1 LEU 75 -0.773 -5.955 -8.787 536 HD21 LEU 75 1HD2 LEU 75 1.154 -4.529 -11.402 537 HD22 LEU 75 2HD2 LEU 75 0.256 -5.499 -12.569 538 HD23 LEU 75 3HD2 LEU 75 1.858 -6.016 -12.039 539 H ALA 76 H ALA 76 0.932 -9.859 -9.041 540 HA ALA 76 HA ALA 76 2.902 -10.469 -7.256 541 HB1 ALA 76 1HB ALA 76 0.582 -12.042 -8.286 542 HB2 ALA 76 2HB ALA 76 1.713 -12.783 -7.152 543 HB3 ALA 76 3HB ALA 76 0.835 -11.323 -6.695 544 H SER 77 H SER 77 2.608 -11.576 -10.535 545 HA SER 77 HA SER 77 4.584 -13.670 -10.220 546 HB2 SER 77 1HB SER 77 2.623 -13.794 -11.824 547 HB3 SER 77 2HB SER 77 3.457 -12.594 -12.810 548 HG SER 77 HG SER 77 5.285 -14.296 -12.469 549 H ARG 78 H ARG 78 4.378 -10.432 -11.609 550 HA ARG 78 HA ARG 78 6.817 -10.305 -12.919 551 HB2 ARG 78 1HB ARG 78 4.967 -8.567 -12.887 552 HB3 ARG 78 2HB ARG 78 5.625 -8.020 -11.351 553 HG2 ARG 78 1HG ARG 78 7.767 -7.548 -12.455 554 HG3 ARG 78 2HG ARG 78 7.066 -8.051 -13.994 555 HD2 ARG 78 1HD ARG 78 5.296 -6.282 -13.609 556 HD3 ARG 78 2HD ARG 78 6.303 -5.695 -12.286 557 HE ARG 78 HE ARG 78 6.706 -5.234 -15.056 558 HH11 ARG 78 2HH1 ARG 78 8.412 -5.801 -12.075 559 HH12 ARG 78 1HH1 ARG 78 9.839 -4.957 -12.579 560 HH21 ARG 78 2HH2 ARG 78 8.578 -4.121 -15.731 561 HH22 ARG 78 1HH2 ARG 78 9.932 -4.001 -14.658 562 H TYR 79 H TYR 79 6.091 -9.546 -9.522 563 HA TYR 79 HA TYR 79 8.966 -9.381 -8.975 564 HB2 TYR 79 1HB TYR 79 6.790 -8.771 -6.991 565 HB3 TYR 79 2HB TYR 79 8.446 -8.177 -7.023 566 HD1 TYR 79 2HD TYR 79 5.160 -7.924 -8.719 567 HD2 TYR 79 1HD TYR 79 8.994 -6.171 -8.139 568 HE1 TYR 79 2HE TYR 79 4.403 -5.896 -9.886 569 HE2 TYR 79 1HE TYR 79 8.247 -4.138 -9.304 570 HH TYR 79 HH TYR 79 5.098 -3.967 -10.866 571 H GLY 80 H GLY 80 6.220 -11.401 -8.530 572 HA2 GLY 80 1HA GLY 80 6.237 -13.625 -7.829 573 HA3 GLY 80 2HA GLY 80 7.878 -13.401 -7.241 574 H ILE 81 H ILE 81 5.012 -11.491 -6.437 575 HA ILE 81 HA ILE 81 5.569 -11.508 -3.673 576 HB ILE 81 HB ILE 81 2.893 -10.956 -4.956 577 HG12 ILE 81 1HG1 ILE 81 4.743 -9.647 -5.993 578 HG13 ILE 81 2HG1 ILE 81 3.575 -8.641 -5.144 579 HG21 ILE 81 1HG2 ILE 81 2.187 -10.371 -2.932 580 HG22 ILE 81 2HG2 ILE 81 3.678 -11.050 -2.279 581 HG23 ILE 81 3HG2 ILE 81 3.592 -9.335 -2.682 582 HD11 ILE 81 1HD1 ILE 81 5.903 -9.516 -3.571 583 HD12 ILE 81 2HD1 ILE 81 6.225 -8.384 -4.885 584 HD13 ILE 81 3HD1 ILE 81 5.076 -7.960 -3.616 585 H ARG 82 H ARG 82 5.607 -13.376 -2.575 586 HA ARG 82 HA ARG 82 3.188 -15.049 -2.665 587 HB2 ARG 82 1HB ARG 82 4.655 -17.034 -2.294 588 HB3 ARG 82 2HB ARG 82 4.874 -16.270 -3.862 589 HG2 ARG 82 1HG ARG 82 6.783 -14.983 -2.547 590 HG3 ARG 82 2HG ARG 82 6.724 -16.444 -1.557 591 HD2 ARG 82 1HD ARG 82 6.785 -16.755 -4.512 592 HD3 ARG 82 2HD ARG 82 8.270 -16.259 -3.702 593 HE ARG 82 HE ARG 82 7.162 -18.481 -2.372 594 HH11 ARG 82 2HH1 ARG 82 8.783 -17.628 -5.333 595 HH12 ARG 82 1HH1 ARG 82 9.492 -19.194 -5.549 596 HH21 ARG 82 2HH2 ARG 82 8.089 -20.547 -2.646 597 HH22 ARG 82 1HH2 ARG 82 9.096 -20.854 -4.020 598 H GLY 83 H GLY 83 5.829 -13.700 -0.821 599 HA2 GLY 83 1HA GLY 83 4.779 -14.867 1.656 600 HA3 GLY 83 2HA GLY 83 6.321 -14.043 1.477 601 H PHE 84 H PHE 84 2.920 -13.683 2.050 602 HA PHE 84 HA PHE 84 3.142 -10.777 2.207 603 HB2 PHE 84 1HB PHE 84 0.625 -12.204 2.923 604 HB3 PHE 84 2HB PHE 84 0.848 -10.683 2.064 605 HD1 PHE 84 2HD PHE 84 2.875 -11.806 0.045 606 HD2 PHE 84 1HD PHE 84 -0.927 -13.160 1.397 607 HE1 PHE 84 2HE PHE 84 2.530 -12.967 -2.097 608 HE2 PHE 84 1HE PHE 84 -1.278 -14.324 -0.743 609 HZ PHE 84 HZ PHE 84 0.452 -14.227 -2.493 610 HA PRO 85 HA PRO 85 1.604 -9.260 3.219 611 HB2 PRO 85 1HB PRO 85 2.571 -7.149 4.626 612 HB3 PRO 85 2HB PRO 85 1.078 -7.990 5.060 613 HG2 PRO 85 1HG PRO 85 3.824 -8.289 6.214 614 HG3 PRO 85 2HG PRO 85 2.261 -8.213 7.049 615 HD2 PRO 85 1HD PRO 85 3.553 -10.547 6.586 616 HD3 PRO 85 2HD PRO 85 1.782 -10.427 6.621 617 H THR 86 H THR 86 2.572 -7.854 1.726 618 HA THR 86 HA THR 86 5.513 -7.830 1.672 619 HB THR 86 HB THR 86 3.775 -8.309 -0.755 620 HG1 THR 86 1HG THR 86 5.573 -10.249 0.065 621 HG21 THR 86 1HG2 THR 86 5.649 -7.355 -1.660 622 HG22 THR 86 2HG2 THR 86 6.203 -9.026 -1.552 623 HG23 THR 86 3HG2 THR 86 6.683 -7.856 -0.322 624 H ILE 87 H ILE 87 6.297 -5.841 1.496 625 HA ILE 87 HA ILE 87 4.579 -3.757 0.314 626 HB ILE 87 HB ILE 87 6.687 -3.410 2.450 627 HG12 ILE 87 1HG1 ILE 87 3.790 -2.834 2.879 628 HG13 ILE 87 2HG1 ILE 87 4.317 -4.513 2.915 629 HG21 ILE 87 1HG2 ILE 87 5.390 -1.118 2.540 630 HG22 ILE 87 2HG2 ILE 87 6.717 -1.376 1.408 631 HG23 ILE 87 3HG2 ILE 87 5.048 -1.509 0.855 632 HD11 ILE 87 1HD1 ILE 87 5.320 -2.279 4.661 633 HD12 ILE 87 2HD1 ILE 87 4.279 -3.619 5.144 634 HD13 ILE 87 3HD1 ILE 87 5.948 -3.927 4.664 635 H LYS 88 H LYS 88 5.379 -2.541 -1.301 636 HA LYS 88 HA LYS 88 8.254 -2.598 -1.850 637 HB2 LYS 88 1HB LYS 88 6.171 -3.135 -3.973 638 HB3 LYS 88 2HB LYS 88 7.915 -3.099 -4.198 639 HG2 LYS 88 1HG LYS 88 6.815 -5.012 -2.215 640 HG3 LYS 88 2HG LYS 88 6.579 -5.362 -3.929 641 HD2 LYS 88 1HD LYS 88 9.110 -4.884 -4.137 642 HD3 LYS 88 2HD LYS 88 9.137 -5.107 -2.386 643 HE2 LYS 88 1HE LYS 88 9.613 -7.232 -3.188 644 HE3 LYS 88 2HE LYS 88 7.879 -7.308 -2.880 645 HZ1 LYS 88 1HZ LYS 88 8.296 -8.274 -4.995 646 HZ2 LYS 88 2HZ LYS 88 9.219 -6.951 -5.502 647 HZ3 LYS 88 3HZ LYS 88 7.552 -6.780 -5.272 648 H ILE 89 H ILE 89 9.054 -0.705 -2.594 649 HA ILE 89 HA ILE 89 7.138 1.492 -2.933 650 HB ILE 89 HB ILE 89 10.103 1.563 -2.365 651 HG12 ILE 89 1HG1 ILE 89 9.170 2.685 -0.225 652 HG13 ILE 89 2HG1 ILE 89 7.638 1.949 -0.684 653 HG21 ILE 89 1HG2 ILE 89 8.585 3.500 -3.634 654 HG22 ILE 89 2HG2 ILE 89 8.647 4.032 -1.955 655 HG23 ILE 89 3HG2 ILE 89 10.142 3.738 -2.842 656 HD11 ILE 89 1HD1 ILE 89 9.904 0.782 0.627 657 HD12 ILE 89 2HD1 ILE 89 8.287 0.124 0.378 658 HD13 ILE 89 3HD1 ILE 89 9.528 -0.097 -0.855 659 H PHE 90 H PHE 90 6.942 2.585 -4.800 660 HA PHE 90 HA PHE 90 8.790 1.887 -6.986 661 HB2 PHE 90 1HB PHE 90 5.819 2.424 -7.074 662 HB3 PHE 90 2HB PHE 90 6.832 2.360 -8.512 663 HD1 PHE 90 1HD PHE 90 5.508 0.397 -5.690 664 HD2 PHE 90 2HD PHE 90 7.537 0.294 -9.430 665 HE1 PHE 90 1HE PHE 90 5.221 -2.045 -5.774 666 HE2 PHE 90 2HE PHE 90 7.253 -2.148 -9.521 667 HZ PHE 90 HZ PHE 90 6.093 -3.321 -7.692 668 H GLN 91 H GLN 91 10.055 3.542 -7.485 669 HA GLN 91 HA GLN 91 8.987 6.271 -7.208 670 HB2 GLN 91 1HB GLN 91 11.828 5.255 -7.101 671 HB3 GLN 91 2HB GLN 91 11.401 6.961 -7.135 672 HG2 GLN 91 1HG GLN 91 10.388 6.859 -5.020 673 HG3 GLN 91 2HG GLN 91 10.357 5.097 -5.031 674 HE21 GLN 91 1HE2 GLN 91 11.772 4.235 -3.709 675 HE22 GLN 91 2HE2 GLN 91 13.330 4.870 -3.318 676 H LYS 92 H LYS 92 8.428 7.182 -9.061 677 HA LYS 92 HA LYS 92 8.987 6.188 -11.602 678 HB2 LYS 92 1HB LYS 92 7.235 7.953 -10.770 679 HB3 LYS 92 2HB LYS 92 8.491 9.113 -11.181 680 HG2 LYS 92 1HG LYS 92 7.136 8.994 -13.079 681 HG3 LYS 92 2HG LYS 92 8.544 8.004 -13.471 682 HD2 LYS 92 1HD LYS 92 7.055 6.072 -12.491 683 HD3 LYS 92 2HD LYS 92 5.737 7.178 -12.888 684 HE2 LYS 92 1HE LYS 92 6.121 7.039 -15.146 685 HE3 LYS 92 2HE LYS 92 7.829 6.652 -14.941 686 HZ1 LYS 92 1HZ LYS 92 5.540 4.892 -15.050 687 HZ2 LYS 92 2HZ LYS 92 6.649 4.519 -13.829 688 HZ3 LYS 92 3HZ LYS 92 7.158 4.590 -15.441 689 H GLY 93 H GLY 93 10.931 5.986 -12.500 690 HA2 GLY 93 1HA GLY 93 12.595 7.501 -13.669 691 HA3 GLY 93 2HA GLY 93 12.899 8.143 -12.061 692 H GLU 94 H GLU 94 12.959 5.854 -10.539 693 HA GLU 94 HA GLU 94 15.218 4.365 -11.707 694 HB2 GLU 94 1HB GLU 94 14.817 5.376 -8.897 695 HB3 GLU 94 2HB GLU 94 15.977 4.113 -9.282 696 HG2 GLU 94 1HG GLU 94 17.194 5.601 -10.727 697 HG3 GLU 94 2HG GLU 94 15.981 6.861 -10.507 698 H SER 95 H SER 95 15.600 2.249 -10.457 699 HA SER 95 HA SER 95 13.355 0.603 -10.797 700 HB2 SER 95 1HB SER 95 14.750 -1.157 -10.273 701 HB3 SER 95 2HB SER 95 15.951 0.072 -10.669 702 HG SER 95 HG SER 95 16.642 -0.085 -8.704 703 HA PRO 96 HA PRO 96 11.126 0.846 -7.025 704 HB2 PRO 96 1HB PRO 96 10.253 -1.709 -6.751 705 HB3 PRO 96 2HB PRO 96 9.607 -0.599 -7.965 706 HG2 PRO 96 1HG PRO 96 11.656 -2.759 -8.275 707 HG3 PRO 96 2HG PRO 96 10.300 -2.341 -9.339 708 HD2 PRO 96 1HD PRO 96 12.845 -1.573 -9.852 709 HD3 PRO 96 2HD PRO 96 11.440 -0.591 -10.313 710 H VAL 97 H VAL 97 10.848 -0.342 -4.860 711 HA VAL 97 HA VAL 97 13.394 -1.539 -3.995 712 HB VAL 97 HB VAL 97 11.885 0.702 -2.663 713 HG11 VAL 97 1HG1 VAL 97 12.333 -0.933 -0.945 714 HG12 VAL 97 2HG1 VAL 97 14.011 -1.076 -1.472 715 HG13 VAL 97 3HG1 VAL 97 13.435 0.430 -0.756 716 HG21 VAL 97 1HG2 VAL 97 14.809 0.427 -3.344 717 HG22 VAL 97 2HG2 VAL 97 13.623 1.233 -4.370 718 HG23 VAL 97 3HG2 VAL 97 13.978 1.870 -2.764 719 H ASP 98 H ASP 98 13.232 -2.751 -1.968 720 HA ASP 98 HA ASP 98 10.540 -3.898 -1.607 721 HB2 ASP 98 1HB ASP 98 11.525 -6.026 -1.168 722 HB3 ASP 98 2HB ASP 98 12.292 -5.408 -2.629 723 H TYR 99 H TYR 99 9.723 -3.007 0.186 724 HA TYR 99 HA TYR 99 11.381 -2.271 2.421 725 HB2 TYR 99 1HB TYR 99 9.392 -0.947 1.756 726 HB3 TYR 99 2HB TYR 99 8.364 -2.305 2.198 727 HD1 TYR 99 2HD TYR 99 8.109 -2.949 4.564 728 HD2 TYR 99 1HD TYR 99 10.341 0.489 3.427 729 HE1 TYR 99 2HE TYR 99 8.003 -2.123 6.878 730 HE2 TYR 99 1HE TYR 99 10.243 1.325 5.738 731 HH TYR 99 HH TYR 99 9.151 -0.621 8.350 732 H ASP 100 H ASP 100 11.878 -3.485 4.120 733 HA ASP 100 HA ASP 100 10.177 -5.789 4.775 734 HB2 ASP 100 1HB ASP 100 13.126 -5.765 4.245 735 HB3 ASP 100 2HB ASP 100 12.460 -6.917 5.399 736 H GLY 101 H GLY 101 9.481 -4.006 6.308 737 HA2 GLY 101 1HA GLY 101 11.220 -4.068 8.698 738 HA3 GLY 101 2HA GLY 101 10.300 -2.643 8.238 739 H GLY 102 H GLY 102 9.222 -2.609 10.240 740 HA2 GLY 102 1HA GLY 102 7.683 -4.893 11.099 741 HA3 GLY 102 2HA GLY 102 7.702 -3.303 11.848 742 H ARG 103 H ARG 103 7.177 -2.991 8.564 743 HA ARG 103 HA ARG 103 5.355 -2.078 7.494 744 HB2 ARG 103 1HB ARG 103 3.633 -3.716 7.074 745 HB3 ARG 103 2HB ARG 103 5.191 -4.529 7.127 746 HG2 ARG 103 1HG ARG 103 3.580 -4.392 9.622 747 HG3 ARG 103 2HG ARG 103 3.086 -5.513 8.351 748 HD2 ARG 103 1HD ARG 103 5.955 -5.498 9.069 749 HD3 ARG 103 2HD ARG 103 4.844 -6.146 10.275 750 HE ARG 103 HE ARG 103 4.283 -7.263 7.744 751 HH11 ARG 103 2HH1 ARG 103 6.631 -7.376 10.311 752 HH12 ARG 103 1HH1 ARG 103 7.106 -9.009 9.981 753 HH21 ARG 103 2HH2 ARG 103 4.900 -9.413 7.299 754 HH22 ARG 103 1HH2 ARG 103 6.122 -10.167 8.267 755 H THR 104 H THR 104 5.592 -1.384 10.377 756 HA THR 104 HA THR 104 2.786 -1.086 11.153 757 HB THR 104 HB THR 104 3.654 -0.284 13.314 758 HG1 THR 104 1HG THR 104 6.047 -0.335 11.887 759 HG21 THR 104 1HG2 THR 104 3.652 -2.861 12.382 760 HG22 THR 104 2HG2 THR 104 3.888 -2.389 14.065 761 HG23 THR 104 3HG2 THR 104 5.283 -2.699 13.031 762 H ARG 105 H ARG 105 1.741 0.831 11.198 763 HA ARG 105 HA ARG 105 2.260 2.905 9.577 764 HB2 ARG 105 1HB ARG 105 0.618 4.096 10.667 765 HB3 ARG 105 2HB ARG 105 0.292 2.475 11.265 766 HG2 ARG 105 1HG ARG 105 1.689 3.043 13.271 767 HG3 ARG 105 2HG ARG 105 1.711 4.708 12.689 768 HD2 ARG 105 1HD ARG 105 -0.720 4.791 12.789 769 HD3 ARG 105 2HD ARG 105 -0.768 3.109 13.316 770 HE ARG 105 HE ARG 105 0.775 4.877 15.003 771 HH11 ARG 105 2HH1 ARG 105 -2.330 3.435 14.373 772 HH12 ARG 105 1HH1 ARG 105 -2.903 3.644 15.994 773 HH21 ARG 105 2HH2 ARG 105 0.033 5.158 17.142 774 HH22 ARG 105 1HH2 ARG 105 -1.558 4.625 17.569 775 H SER 106 H SER 106 3.713 2.384 12.721 776 HA SER 106 HA SER 106 4.908 4.948 12.970 777 HB2 SER 106 1HB SER 106 5.737 2.324 14.233 778 HB3 SER 106 2HB SER 106 6.253 3.928 14.752 779 HG SER 106 HG SER 106 3.793 2.652 15.068 780 H ASP 107 H ASP 107 6.095 1.821 11.793 781 HA ASP 107 HA ASP 107 8.689 2.872 11.133 782 HB2 ASP 107 1HB ASP 107 7.448 0.258 10.254 783 HB3 ASP 107 2HB ASP 107 9.161 0.670 10.255 784 H ILE 108 H ILE 108 5.914 1.695 9.234 785 HA ILE 108 HA ILE 108 6.841 2.139 6.692 786 HB ILE 108 HB ILE 108 4.035 2.658 7.681 787 HG12 ILE 108 1HG1 ILE 108 4.992 0.172 6.293 788 HG13 ILE 108 2HG1 ILE 108 5.181 0.351 8.034 789 HG21 ILE 108 1HG2 ILE 108 3.290 2.581 5.472 790 HG22 ILE 108 2HG2 ILE 108 4.742 3.577 5.393 791 HG23 ILE 108 3HG2 ILE 108 4.803 1.889 4.888 792 HD11 ILE 108 1HD1 ILE 108 2.914 0.277 8.418 793 HD12 ILE 108 2HD1 ILE 108 2.512 0.781 6.777 794 HD13 ILE 108 3HD1 ILE 108 3.102 -0.853 7.078 795 H VAL 109 H VAL 109 5.253 4.494 8.828 796 HA VAL 109 HA VAL 109 5.303 6.649 7.010 797 HB VAL 109 HB VAL 109 5.231 6.660 10.029 798 HG11 VAL 109 1HG1 VAL 109 4.526 8.932 8.181 799 HG12 VAL 109 2HG1 VAL 109 4.604 8.956 9.944 800 HG13 VAL 109 3HG1 VAL 109 6.083 8.784 8.997 801 HG21 VAL 109 1HG2 VAL 109 3.347 5.676 8.420 802 HG22 VAL 109 2HG2 VAL 109 2.965 6.540 9.909 803 HG23 VAL 109 3HG2 VAL 109 2.892 7.379 8.360 804 H SER 110 H SER 110 7.522 5.710 9.619 805 HA SER 110 HA SER 110 9.281 7.859 9.463 806 HB2 SER 110 1HB SER 110 9.166 5.789 11.099 807 HB3 SER 110 2HB SER 110 10.355 5.114 9.984 808 HG SER 110 HG SER 110 10.638 7.080 11.857 809 H ARG 111 H ARG 111 8.883 5.132 7.360 810 HA ARG 111 HA ARG 111 11.421 5.534 6.021 811 HB2 ARG 111 1HB ARG 111 10.663 3.267 6.192 812 HB3 ARG 111 2HB ARG 111 9.099 3.678 5.503 813 HG2 ARG 111 1HG ARG 111 10.170 2.672 3.731 814 HG3 ARG 111 2HG ARG 111 10.475 4.384 3.426 815 HD2 ARG 111 1HD ARG 111 12.695 4.235 4.072 816 HD3 ARG 111 2HD ARG 111 12.424 2.776 5.024 817 HE ARG 111 HE ARG 111 11.990 2.406 2.209 818 HH11 ARG 111 2HH1 ARG 111 14.366 2.439 4.754 819 HH12 ARG 111 1HH1 ARG 111 15.472 1.405 3.912 820 HH21 ARG 111 2HH2 ARG 111 13.438 1.043 1.092 821 HH22 ARG 111 1HH2 ARG 111 14.943 0.612 1.829 822 H ALA 112 H ALA 112 8.002 5.618 4.997 823 HA ALA 112 HA ALA 112 8.148 6.558 2.487 824 HB1 ALA 112 1HB ALA 112 6.263 7.228 4.702 825 HB2 ALA 112 2HB ALA 112 6.105 8.039 3.144 826 HB3 ALA 112 3HB ALA 112 5.989 6.282 3.239 827 H LEU 113 H LEU 113 8.587 8.530 5.396 828 HA LEU 113 HA LEU 113 8.780 11.032 4.182 829 HB2 LEU 113 1HB LEU 113 10.045 9.920 6.673 830 HB3 LEU 113 2HB LEU 113 10.216 11.606 6.190 831 HG LEU 113 HG LEU 113 7.558 10.285 6.708 832 HD11 LEU 113 1HD1 LEU 113 8.344 10.214 8.834 833 HD12 LEU 113 2HD1 LEU 113 7.838 11.903 8.801 834 HD13 LEU 113 3HD1 LEU 113 9.534 11.486 8.558 835 HD21 LEU 113 1HD2 LEU 113 7.651 13.106 7.134 836 HD22 LEU 113 2HD2 LEU 113 6.683 12.188 5.980 837 HD23 LEU 113 3HD2 LEU 113 8.299 12.740 5.534 838 H ASP 114 H ASP 114 11.336 8.678 4.926 839 HA ASP 114 HA ASP 114 13.581 10.028 4.187 840 HB2 ASP 114 1HB ASP 114 13.177 7.511 4.893 841 HB3 ASP 114 2HB ASP 114 13.279 7.241 3.155 842 H LEU 115 H LEU 115 11.352 8.341 1.996 843 HA LEU 115 HA LEU 115 12.794 9.048 -0.362 844 HB2 LEU 115 1HB LEU 115 9.898 8.250 -0.187 845 HB3 LEU 115 2HB LEU 115 10.976 8.096 -1.573 846 HG LEU 115 HG LEU 115 11.388 6.570 0.989 847 HD11 LEU 115 1HD1 LEU 115 9.925 5.668 -1.488 848 HD12 LEU 115 2HD1 LEU 115 9.184 6.022 0.073 849 HD13 LEU 115 3HD1 LEU 115 10.311 4.675 -0.082 850 HD21 LEU 115 1HD2 LEU 115 13.363 6.382 -0.133 851 HD22 LEU 115 2HD2 LEU 115 12.618 6.617 -1.714 852 HD23 LEU 115 3HD2 LEU 115 12.476 5.061 -0.894 853 H PHE 116 H PHE 116 9.844 10.277 1.185 854 HA PHE 116 HA PHE 116 8.903 12.094 -0.562 855 HB2 PHE 116 1HB PHE 116 7.869 11.876 1.589 856 HB3 PHE 116 2HB PHE 116 9.318 12.449 2.408 857 HD1 PHE 116 2HD PHE 116 6.740 13.538 -0.043 858 HD2 PHE 116 1HD PHE 116 9.499 14.676 2.992 859 HE1 PHE 116 2HE PHE 116 5.866 15.837 -0.115 860 HE2 PHE 116 1HE PHE 116 8.629 16.976 2.925 861 HZ PHE 116 HZ PHE 116 6.810 17.560 1.370 862 H SER 117 H SER 117 11.530 12.825 1.738 863 HA SER 117 HA SER 117 12.120 15.385 0.862 864 HB2 SER 117 1HB SER 117 14.217 15.164 1.985 865 HB3 SER 117 2HB SER 117 13.058 14.197 2.896 866 HG SER 117 HG SER 117 14.792 12.894 2.640 867 H ASP 118 H ASP 118 13.297 12.281 -0.352 868 HA ASP 118 HA ASP 118 15.217 13.234 -2.144 869 HB2 ASP 118 1HB ASP 118 13.467 10.793 -2.499 870 HB3 ASP 118 2HB ASP 118 15.030 11.083 -3.256 871 H ASN 119 H ASN 119 11.937 12.107 -2.989 872 HA ASN 119 HA ASN 119 12.033 13.384 -5.548 873 HB2 ASN 119 1HB ASN 119 9.778 12.061 -4.030 874 HB3 ASN 119 2HB ASN 119 9.617 12.688 -5.667 875 HD21 ASN 119 1HD2 ASN 119 9.916 9.948 -4.064 876 HD22 ASN 119 2HD2 ASN 119 10.828 9.002 -5.186 877 H ALA 120 H ALA 120 9.518 13.796 -3.070 878 HA ALA 120 HA ALA 120 8.846 16.404 -3.958 879 HB1 ALA 120 1HB ALA 120 7.148 15.122 -2.911 880 HB2 ALA 120 2HB ALA 120 8.131 14.873 -1.467 881 HB3 ALA 120 3HB ALA 120 7.494 16.476 -1.835 882 HA PRO 121 HA PRO 121 11.675 18.980 -1.803 883 HB2 PRO 121 1HB PRO 121 10.119 21.143 -1.284 884 HB3 PRO 121 2HB PRO 121 10.710 20.752 -2.903 885 HG2 PRO 121 1HG PRO 121 8.029 20.217 -1.684 886 HG3 PRO 121 2HG PRO 121 8.421 20.809 -3.309 887 HD2 PRO 121 1HD PRO 121 7.775 18.226 -2.815 888 HD3 PRO 121 2HD PRO 121 8.911 18.698 -4.096 889 HA PRO 122 HA PRO 122 11.201 18.387 2.537 890 HB2 PRO 122 1HB PRO 122 12.883 20.310 3.458 891 HB3 PRO 122 2HB PRO 122 13.452 18.817 2.701 892 HG2 PRO 122 1HG PRO 122 13.150 21.548 1.513 893 HG3 PRO 122 2HG PRO 122 14.477 20.387 1.324 894 HD2 PRO 122 1HD PRO 122 12.552 20.717 -0.552 895 HD3 PRO 122 2HD PRO 122 13.340 19.154 -0.257 896 HA PRO 123 HA PRO 123 8.176 21.216 4.039 897 HB2 PRO 123 1HB PRO 123 8.433 20.811 6.711 898 HB3 PRO 123 2HB PRO 123 7.682 19.632 5.628 899 HG2 PRO 123 1HG PRO 123 10.464 19.686 6.734 900 HG3 PRO 123 2HG PRO 123 9.352 18.314 6.567 901 HD2 PRO 123 1HD PRO 123 11.373 18.774 4.824 902 HD3 PRO 123 2HD PRO 123 9.836 18.033 4.331 903 H GLU 124 H GLU 124 7.959 22.910 5.913 904 HA GLU 124 HA GLU 124 8.558 25.094 6.351 905 HB2 GLU 124 1HB GLU 124 10.527 25.182 7.901 906 HB3 GLU 124 2HB GLU 124 9.302 24.001 8.343 907 HG2 GLU 124 1HG GLU 124 10.632 22.199 7.597 908 HG3 GLU 124 2HG GLU 124 11.764 23.279 6.784 909 H LEU 125 H LEU 125 9.080 24.834 3.770 910 HA LEU 125 HA LEU 125 11.797 25.219 3.030 911 HB2 LEU 125 1HB LEU 125 10.815 25.980 0.859 912 HB3 LEU 125 2HB LEU 125 10.317 24.375 1.388 913 HG LEU 125 HG LEU 125 8.585 26.040 0.357 914 HD11 LEU 125 1HD1 LEU 125 7.069 24.570 1.083 915 HD12 LEU 125 2HD1 LEU 125 7.410 24.915 2.778 916 HD13 LEU 125 3HD1 LEU 125 8.422 23.777 1.889 917 HD21 LEU 125 1HD2 LEU 125 8.584 26.890 3.252 918 HD22 LEU 125 2HD2 LEU 125 7.429 27.384 2.013 919 HD23 LEU 125 3HD2 LEU 125 9.117 27.882 1.895 920 H LEU 126 H LEU 126 12.046 27.336 1.456 921 HA LEU 126 HA LEU 126 11.444 29.656 3.170 922 HB2 LEU 126 1HB LEU 126 13.895 28.706 2.934 923 HB3 LEU 126 2HB LEU 126 13.861 29.627 1.431 924 HG LEU 126 HG LEU 126 14.870 31.052 2.987 925 HD11 LEU 126 1HD1 LEU 126 13.078 32.118 1.680 926 HD12 LEU 126 2HD1 LEU 126 13.319 32.888 3.248 927 HD13 LEU 126 3HD1 LEU 126 11.951 31.804 3.000 928 HD21 LEU 126 1HD2 LEU 126 13.043 31.343 5.110 929 HD22 LEU 126 2HD2 LEU 126 14.669 30.662 5.161 930 HD23 LEU 126 3HD2 LEU 126 13.281 29.612 4.876 931 H GLU 127 H GLU 127 9.734 30.481 2.052 932 HA GLU 127 HA GLU 127 9.753 30.700 -0.815 933 HB2 GLU 127 1HB GLU 127 7.608 31.862 -0.523 934 HB3 GLU 127 2HB GLU 127 7.652 30.347 0.370 935 HG2 GLU 127 1HG GLU 127 8.346 31.788 2.378 936 HG3 GLU 127 2HG GLU 127 7.768 33.147 1.416 937 H SER 128 H SER 128 10.047 32.952 1.910 938 HA SER 128 HA SER 128 10.069 35.379 0.728 939 HB2 SER 128 1HB SER 128 10.653 34.666 3.179 940 HB3 SER 128 2HB SER 128 12.320 34.748 2.610 941 HG SER 128 HG SER 128 10.998 36.733 3.494 942 H GLY 129 H GLY 129 11.147 36.368 -0.850 943 HA2 GLY 129 1HA GLY 129 12.883 35.225 -2.597 944 HA3 GLY 129 2HA GLY 129 12.873 36.952 -2.269 945 HA PRO 130 HA PRO 130 16.702 34.580 -0.491 946 HB2 PRO 130 1HB PRO 130 18.286 34.256 -2.672 947 HB3 PRO 130 2HB PRO 130 17.152 33.019 -2.117 948 HG2 PRO 130 1HG PRO 130 16.838 35.027 -4.315 949 HG3 PRO 130 2HG PRO 130 16.400 33.309 -4.298 950 HD2 PRO 130 1HD PRO 130 14.580 35.280 -3.927 951 HD3 PRO 130 2HD PRO 130 14.439 33.691 -3.148 952 H SER 131 H SER 131 16.508 36.920 -3.140 953 HA SER 131 HA SER 131 18.853 38.336 -2.142 954 HB2 SER 131 1HB SER 131 18.562 39.757 -4.152 955 HB3 SER 131 2HB SER 131 18.670 38.044 -4.559 956 HG SER 131 HG SER 131 16.192 39.357 -4.193 957 H SER 132 H SER 132 18.687 40.771 -2.035 958 HA SER 132 HA SER 132 16.404 41.442 -0.353 959 HB2 SER 132 1HB SER 132 18.982 42.928 -0.912 960 HB3 SER 132 2HB SER 132 17.729 43.478 0.201 961 HG SER 132 HG SER 132 18.683 40.887 0.547 962 H GLY 133 H GLY 133 18.026 42.608 -3.283 963 HA2 GLY 133 1HA GLY 133 17.172 43.771 -5.079 964 HA3 GLY 133 2HA GLY 133 15.569 43.548 -4.393 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -7.797 11.914 -0.117 2 HA2 GLY 1 1HA GLY 1 -10.133 10.919 -0.036 3 HA3 GLY 1 2HA GLY 1 -9.794 11.879 -1.469 4 H SER 2 H SER 2 -11.530 9.448 -0.869 5 HA SER 2 HA SER 2 -10.964 8.096 -3.359 6 HB2 SER 2 1HB SER 2 -10.637 6.743 -0.694 7 HB3 SER 2 2HB SER 2 -11.129 5.820 -2.114 8 HG SER 2 HG SER 2 -8.710 7.151 -1.600 9 H SER 3 H SER 3 -12.627 6.138 -3.513 10 HA SER 3 HA SER 3 -15.208 7.081 -2.450 11 HB2 SER 3 1HB SER 3 -14.884 7.640 -4.879 12 HB3 SER 3 2HB SER 3 -14.791 5.910 -5.208 13 HG SER 3 HG SER 3 -16.960 7.415 -4.963 14 H GLY 4 H GLY 4 -15.938 5.600 -1.076 15 HA2 GLY 4 1HA GLY 4 -16.539 3.573 -0.183 16 HA3 GLY 4 2HA GLY 4 -16.580 2.979 -1.836 17 H SER 5 H SER 5 -13.844 4.195 0.070 18 HA SER 5 HA SER 5 -12.587 1.546 -0.232 19 HB2 SER 5 1HB SER 5 -11.605 3.459 -1.616 20 HB3 SER 5 2HB SER 5 -11.064 4.147 -0.086 21 HG SER 5 HG SER 5 -9.626 2.617 -1.365 22 H SER 6 H SER 6 -10.517 1.578 1.350 23 HA SER 6 HA SER 6 -11.676 1.890 4.007 24 HB2 SER 6 1HB SER 6 -9.223 0.448 2.994 25 HB3 SER 6 2HB SER 6 -9.603 0.600 4.709 26 HG SER 6 HG SER 6 -10.390 -1.325 3.369 27 H GLY 7 H GLY 7 -11.291 4.343 3.189 28 HA2 GLY 7 1HA GLY 7 -10.376 6.258 4.180 29 HA3 GLY 7 2HA GLY 7 -9.089 5.268 4.853 30 H ASP 8 H ASP 8 -7.306 6.331 4.191 31 HA ASP 8 HA ASP 8 -7.042 7.498 1.603 32 HB2 ASP 8 1HB ASP 8 -5.813 8.342 3.568 33 HB3 ASP 8 2HB ASP 8 -4.905 6.834 3.640 34 H VAL 9 H VAL 9 -6.526 4.348 2.883 35 HA VAL 9 HA VAL 9 -4.556 3.344 1.187 36 HB VAL 9 HB VAL 9 -6.940 1.921 2.375 37 HG11 VAL 9 1HG1 VAL 9 -6.075 0.676 0.470 38 HG12 VAL 9 2HG1 VAL 9 -4.442 0.771 1.133 39 HG13 VAL 9 3HG1 VAL 9 -5.687 -0.148 1.980 40 HG21 VAL 9 1HG2 VAL 9 -4.245 2.652 3.356 41 HG22 VAL 9 2HG2 VAL 9 -5.765 2.483 4.234 42 HG23 VAL 9 3HG2 VAL 9 -4.844 1.049 3.784 43 H ILE 10 H ILE 10 -4.554 3.497 -0.959 44 HA ILE 10 HA ILE 10 -7.058 3.371 -2.445 45 HB ILE 10 HB ILE 10 -4.245 3.911 -3.404 46 HG12 ILE 10 1HG1 ILE 10 -6.521 5.877 -3.238 47 HG13 ILE 10 2HG1 ILE 10 -5.438 5.608 -1.877 48 HG21 ILE 10 1HG2 ILE 10 -5.617 4.827 -5.411 49 HG22 ILE 10 2HG2 ILE 10 -5.299 3.097 -5.291 50 HG23 ILE 10 3HG2 ILE 10 -6.872 3.739 -4.818 51 HD11 ILE 10 1HD1 ILE 10 -4.909 6.893 -4.501 52 HD12 ILE 10 2HD1 ILE 10 -4.433 7.392 -2.877 53 HD13 ILE 10 3HD1 ILE 10 -3.588 6.067 -3.676 54 H GLU 11 H GLU 11 -7.591 1.796 -3.905 55 HA GLU 11 HA GLU 11 -5.975 -0.652 -3.775 56 HB2 GLU 11 1HB GLU 11 -8.198 -1.056 -3.039 57 HB3 GLU 11 2HB GLU 11 -8.884 -0.168 -4.392 58 HG2 GLU 11 1HG GLU 11 -7.228 -2.567 -4.965 59 HG3 GLU 11 2HG GLU 11 -8.861 -2.792 -4.341 60 H LEU 12 H LEU 12 -5.146 -1.597 -5.568 61 HA LEU 12 HA LEU 12 -5.660 -0.263 -8.145 62 HB2 LEU 12 1HB LEU 12 -3.086 -1.596 -7.337 63 HB3 LEU 12 2HB LEU 12 -3.387 -0.625 -8.777 64 HG LEU 12 HG LEU 12 -3.538 0.533 -6.006 65 HD11 LEU 12 1HD1 LEU 12 -1.126 0.902 -7.703 66 HD12 LEU 12 2HD1 LEU 12 -1.276 -0.585 -6.767 67 HD13 LEU 12 3HD1 LEU 12 -1.301 0.978 -5.949 68 HD21 LEU 12 1HD2 LEU 12 -2.640 2.323 -8.016 69 HD22 LEU 12 2HD2 LEU 12 -4.140 2.371 -7.089 70 HD23 LEU 12 3HD2 LEU 12 -4.077 1.497 -8.620 71 H THR 13 H THR 13 -5.233 -1.648 -10.055 72 HA THR 13 HA THR 13 -5.817 -4.483 -9.500 73 HB THR 13 HB THR 13 -6.867 -3.150 -11.970 74 HG1 THR 13 1HG THR 13 -7.798 -2.851 -9.346 75 HG21 THR 13 1HG2 THR 13 -8.688 -4.991 -10.959 76 HG22 THR 13 2HG2 THR 13 -7.111 -5.714 -10.639 77 HG23 THR 13 3HG2 THR 13 -7.553 -5.254 -12.283 78 H ASP 14 H ASP 14 -5.301 -5.927 -11.359 79 HA ASP 14 HA ASP 14 -2.688 -5.970 -12.040 80 HB2 ASP 14 1HB ASP 14 -3.180 -7.648 -13.553 81 HB3 ASP 14 2HB ASP 14 -4.644 -7.640 -12.573 82 H ASP 15 H ASP 15 -5.230 -4.223 -13.745 83 HA ASP 15 HA ASP 15 -3.235 -3.124 -15.595 84 HB2 ASP 15 1HB ASP 15 -5.472 -4.148 -16.378 85 HB3 ASP 15 2HB ASP 15 -6.203 -2.664 -15.772 86 H SER 16 H SER 16 -5.125 -2.338 -12.850 87 HA SER 16 HA SER 16 -4.837 0.539 -13.280 88 HB2 SER 16 1HB SER 16 -6.494 -1.172 -11.490 89 HB3 SER 16 2HB SER 16 -6.066 0.438 -10.911 90 HG SER 16 HG SER 16 -7.233 -0.062 -13.446 91 H PHE 17 H PHE 17 -2.692 -1.544 -12.509 92 HA PHE 17 HA PHE 17 -1.778 -0.394 -9.982 93 HB2 PHE 17 1HB PHE 17 -1.541 -2.712 -9.888 94 HB3 PHE 17 2HB PHE 17 -1.025 -2.826 -11.567 95 HD1 PHE 17 2HD PHE 17 1.274 -1.994 -12.181 96 HD2 PHE 17 1HD PHE 17 0.017 -2.548 -8.152 97 HE1 PHE 17 2HE PHE 17 3.625 -2.030 -11.457 98 HE2 PHE 17 1HE PHE 17 2.366 -2.585 -7.421 99 HZ PHE 17 HZ PHE 17 4.174 -2.327 -9.074 100 H ASP 18 H ASP 18 -0.933 -0.586 -13.378 101 HA ASP 18 HA ASP 18 1.534 0.904 -12.954 102 HB2 ASP 18 1HB ASP 18 1.741 0.658 -15.467 103 HB3 ASP 18 2HB ASP 18 1.740 -0.847 -14.553 104 H LYS 19 H LYS 19 -1.452 1.261 -14.866 105 HA LYS 19 HA LYS 19 -1.006 3.833 -15.812 106 HB2 LYS 19 1HB LYS 19 -3.305 3.916 -16.343 107 HB3 LYS 19 2HB LYS 19 -2.868 2.216 -16.446 108 HG2 LYS 19 1HG LYS 19 -4.784 2.006 -15.264 109 HG3 LYS 19 2HG LYS 19 -3.673 2.257 -13.915 110 HD2 LYS 19 1HD LYS 19 -5.475 3.711 -13.504 111 HD3 LYS 19 2HD LYS 19 -4.197 4.739 -14.156 112 HE2 LYS 19 1HE LYS 19 -5.250 4.910 -16.245 113 HE3 LYS 19 2HE LYS 19 -6.308 3.537 -15.920 114 HZ1 LYS 19 1HZ LYS 19 -7.483 5.649 -15.758 115 HZ2 LYS 19 2HZ LYS 19 -6.432 6.163 -14.537 116 HZ3 LYS 19 3HZ LYS 19 -7.464 4.850 -14.267 117 H ASN 20 H ASN 20 -1.556 2.808 -12.626 118 HA ASN 20 HA ASN 20 -2.431 5.480 -11.780 119 HB2 ASN 20 1HB ASN 20 -2.559 2.767 -10.494 120 HB3 ASN 20 2HB ASN 20 -2.688 4.226 -9.517 121 HD21 ASN 20 1HD2 ASN 20 -4.245 2.134 -11.738 122 HD22 ASN 20 2HD2 ASN 20 -5.780 2.928 -11.754 123 H VAL 21 H VAL 21 0.233 3.284 -11.720 124 HA VAL 21 HA VAL 21 1.657 4.962 -9.771 125 HB VAL 21 HB VAL 21 2.373 2.221 -10.822 126 HG11 VAL 21 1HG1 VAL 21 4.351 3.527 -10.256 127 HG12 VAL 21 2HG1 VAL 21 3.671 3.888 -8.668 128 HG13 VAL 21 3HG1 VAL 21 4.101 2.230 -9.089 129 HG21 VAL 21 1HG2 VAL 21 0.363 2.549 -9.220 130 HG22 VAL 21 2HG2 VAL 21 1.559 1.307 -8.852 131 HG23 VAL 21 3HG2 VAL 21 1.600 2.850 -8.000 132 H LEU 22 H LEU 22 2.501 3.128 -12.716 133 HA LEU 22 HA LEU 22 4.796 4.604 -13.324 134 HB2 LEU 22 1HB LEU 22 3.037 3.286 -15.372 135 HB3 LEU 22 2HB LEU 22 4.781 3.533 -15.433 136 HG LEU 22 HG LEU 22 3.226 1.514 -13.844 137 HD11 LEU 22 1HD1 LEU 22 4.744 -0.048 -14.934 138 HD12 LEU 22 2HD1 LEU 22 5.559 1.291 -15.741 139 HD13 LEU 22 3HD1 LEU 22 3.877 0.924 -16.124 140 HD21 LEU 22 1HD2 LEU 22 6.088 2.372 -13.441 141 HD22 LEU 22 2HD2 LEU 22 5.378 0.900 -12.778 142 HD23 LEU 22 3HD2 LEU 22 4.771 2.478 -12.272 143 H ASP 23 H ASP 23 1.481 4.930 -14.564 144 HA ASP 23 HA ASP 23 2.127 7.240 -16.142 145 HB2 ASP 23 1HB ASP 23 0.187 5.453 -16.398 146 HB3 ASP 23 2HB ASP 23 -0.687 6.596 -15.382 147 H SER 24 H SER 24 2.167 6.966 -12.974 148 HA SER 24 HA SER 24 0.985 9.628 -12.520 149 HB2 SER 24 1HB SER 24 -0.246 7.737 -11.396 150 HB3 SER 24 2HB SER 24 1.210 7.438 -10.446 151 HG SER 24 HG SER 24 0.097 10.016 -10.527 152 H GLU 25 H GLU 25 2.321 11.145 -11.773 153 HA GLU 25 HA GLU 25 5.086 10.459 -11.277 154 HB2 GLU 25 1HB GLU 25 3.879 13.205 -11.022 155 HB3 GLU 25 2HB GLU 25 5.541 12.775 -11.399 156 HG2 GLU 25 1HG GLU 25 4.762 13.420 -13.451 157 HG3 GLU 25 2HG GLU 25 4.493 11.679 -13.512 158 H ASP 26 H ASP 26 3.193 9.486 -9.351 159 HA ASP 26 HA ASP 26 4.145 10.930 -6.966 160 HB2 ASP 26 1HB ASP 26 1.934 11.411 -6.708 161 HB3 ASP 26 2HB ASP 26 1.415 10.055 -7.705 162 H VAL 27 H VAL 27 4.372 9.607 -5.037 163 HA VAL 27 HA VAL 27 5.543 7.048 -5.668 164 HB VAL 27 HB VAL 27 5.219 8.420 -2.995 165 HG11 VAL 27 1HG1 VAL 27 6.343 5.822 -3.810 166 HG12 VAL 27 2HG1 VAL 27 7.336 6.775 -2.705 167 HG13 VAL 27 3HG1 VAL 27 5.685 6.340 -2.258 168 HG21 VAL 27 1HG2 VAL 27 6.682 9.830 -4.014 169 HG22 VAL 27 2HG2 VAL 27 7.830 8.596 -3.494 170 HG23 VAL 27 3HG2 VAL 27 7.239 8.607 -5.156 171 H TRP 28 H TRP 28 4.533 5.159 -5.599 172 HA TRP 28 HA TRP 28 2.037 4.960 -4.045 173 HB2 TRP 28 1HB TRP 28 2.869 3.641 -6.627 174 HB3 TRP 28 2HB TRP 28 1.517 3.053 -5.663 175 HD1 TRP 28 HD TRP 28 2.595 6.140 -7.702 176 HE1 TRP 28 1HE TRP 28 0.476 7.415 -8.417 177 HE3 TRP 28 3HE TRP 28 -0.892 3.422 -5.135 178 HZ2 TRP 28 2HZ TRP 28 -2.305 7.286 -7.953 179 HZ3 TRP 28 3HZ TRP 28 -3.260 4.063 -5.324 180 HH2 TRP 28 HH TRP 28 -3.950 5.956 -6.704 181 H MET 29 H MET 29 2.244 3.795 -2.259 182 HA MET 29 HA MET 29 4.374 1.808 -2.066 183 HB2 MET 29 1HB MET 29 2.703 3.314 -0.108 184 HB3 MET 29 2HB MET 29 3.359 1.759 0.385 185 HG2 MET 29 1HG MET 29 5.619 2.594 -0.250 186 HG3 MET 29 2HG MET 29 4.895 4.177 -0.524 187 HE1 MET 29 1HE MET 29 5.901 1.444 1.920 188 HE2 MET 29 2HE MET 29 7.167 2.670 1.878 189 HE3 MET 29 3HE MET 29 6.265 2.385 3.367 190 H VAL 30 H VAL 30 3.708 -0.024 -3.074 191 HA VAL 30 HA VAL 30 1.029 -1.048 -2.725 192 HB VAL 30 HB VAL 30 3.424 -2.274 -4.100 193 HG11 VAL 30 1HG1 VAL 30 1.597 -3.838 -3.246 194 HG12 VAL 30 2HG1 VAL 30 0.556 -3.087 -4.456 195 HG13 VAL 30 3HG1 VAL 30 2.016 -3.942 -4.955 196 HG21 VAL 30 1HG2 VAL 30 1.434 -1.603 -5.948 197 HG22 VAL 30 2HG2 VAL 30 1.575 -0.210 -4.876 198 HG23 VAL 30 3HG2 VAL 30 2.996 -0.817 -5.725 199 H GLU 31 H GLU 31 0.383 -2.401 -1.187 200 HA GLU 31 HA GLU 31 2.424 -3.948 0.269 201 HB2 GLU 31 1HB GLU 31 1.681 -2.222 1.747 202 HB3 GLU 31 2HB GLU 31 -0.004 -2.519 1.346 203 HG2 GLU 31 1HG GLU 31 0.558 -4.916 2.293 204 HG3 GLU 31 2HG GLU 31 1.812 -4.019 3.148 205 H PHE 32 H PHE 32 2.108 -5.836 -0.881 206 HA PHE 32 HA PHE 32 -0.400 -6.940 -1.525 207 HB2 PHE 32 1HB PHE 32 2.218 -8.397 -1.107 208 HB3 PHE 32 2HB PHE 32 0.821 -9.000 -1.992 209 HD1 PHE 32 2HD PHE 32 3.509 -6.475 -2.005 210 HD2 PHE 32 1HD PHE 32 0.444 -8.400 -4.244 211 HE1 PHE 32 2HE PHE 32 4.393 -5.473 -4.071 212 HE2 PHE 32 1HE PHE 32 1.324 -7.402 -6.314 213 HZ PHE 32 HZ PHE 32 3.300 -5.935 -6.229 214 H TYR 33 H TYR 33 -1.844 -8.033 -0.359 215 HA TYR 33 HA TYR 33 -1.012 -9.310 2.141 216 HB2 TYR 33 1HB TYR 33 -2.607 -8.241 3.476 217 HB3 TYR 33 2HB TYR 33 -1.972 -6.933 2.484 218 HD1 TYR 33 1HD TYR 33 -4.778 -9.379 2.650 219 HD2 TYR 33 2HD TYR 33 -3.430 -5.590 1.261 220 HE1 TYR 33 1HE TYR 33 -7.059 -8.850 1.899 221 HE2 TYR 33 2HE TYR 33 -5.708 -5.050 0.507 222 HH TYR 33 HH TYR 33 -7.781 -5.810 0.218 223 H ALA 34 H ALA 34 -2.736 -10.746 3.022 224 HA ALA 34 HA ALA 34 -4.408 -11.850 0.859 225 HB1 ALA 34 1HB ALA 34 -2.913 -13.552 1.017 226 HB2 ALA 34 2HB ALA 34 -2.510 -13.192 2.696 227 HB3 ALA 34 3HB ALA 34 -4.007 -14.042 2.312 228 HA PRO 35 HA PRO 35 -7.769 -11.209 3.652 229 HB2 PRO 35 1HB PRO 35 -9.601 -12.762 2.387 230 HB3 PRO 35 2HB PRO 35 -9.104 -11.177 1.783 231 HG2 PRO 35 1HG PRO 35 -8.198 -13.899 0.929 232 HG3 PRO 35 2HG PRO 35 -8.606 -12.491 -0.070 233 HD2 PRO 35 1HD PRO 35 -6.051 -13.183 0.498 234 HD3 PRO 35 2HD PRO 35 -6.556 -11.496 0.273 235 H TRP 36 H TRP 36 -6.253 -14.217 3.065 236 HA TRP 36 HA TRP 36 -7.715 -15.441 5.312 237 HB2 TRP 36 1HB TRP 36 -6.669 -17.607 4.266 238 HB3 TRP 36 2HB TRP 36 -8.122 -16.901 3.562 239 HD1 TRP 36 HD TRP 36 -8.034 -16.572 1.029 240 HE1 TRP 36 1HE TRP 36 -6.180 -16.426 -0.751 241 HE3 TRP 36 3HE TRP 36 -3.949 -16.735 4.098 242 HZ2 TRP 36 2HZ TRP 36 -3.359 -16.386 -0.841 243 HZ3 TRP 36 3HZ TRP 36 -1.708 -16.638 3.085 244 HH2 TRP 36 HH TRP 36 -1.422 -16.468 0.667 245 H CYS 37 H CYS 37 -5.137 -13.711 4.981 246 HA CYS 37 HA CYS 37 -3.349 -15.493 6.497 247 HB2 CYS 37 1HB CYS 37 -2.487 -14.547 4.328 248 HB3 CYS 37 2HB CYS 37 -2.588 -12.948 5.055 249 HG CYS 37 HG CYS 37 0.015 -13.343 5.352 250 H GLY 38 H GLY 38 -3.621 -15.181 8.614 251 HA2 GLY 38 1HA GLY 38 -4.790 -13.123 9.952 252 HA3 GLY 38 2HA GLY 38 -3.488 -14.081 10.639 253 H HIS 39 H HIS 39 -1.322 -13.321 9.178 254 HA HIS 39 HA HIS 39 -0.323 -11.128 10.401 255 HB2 HIS 39 1HB HIS 39 0.241 -12.317 7.711 256 HB3 HIS 39 2HB HIS 39 1.057 -10.830 8.187 257 HD1 HIS 39 1HD HIS 39 2.758 -10.989 10.149 258 HD2 HIS 39 2HD HIS 39 1.117 -14.627 8.993 259 HE1 HIS 39 1HE HIS 39 4.194 -12.749 11.230 260 HE2 HIS 39 2HE HIS 39 3.233 -14.941 10.447 261 H CYS 40 H CYS 40 -1.967 -11.084 7.243 262 HA CYS 40 HA CYS 40 -1.814 -8.348 6.767 263 HB2 CYS 40 1HB CYS 40 -2.536 -9.598 4.940 264 HB3 CYS 40 2HB CYS 40 -3.712 -10.496 5.892 265 HG CYS 40 HG CYS 40 -4.282 -7.189 5.578 266 H LYS 41 H LYS 41 -4.531 -10.158 8.201 267 HA LYS 41 HA LYS 41 -6.302 -8.198 8.756 268 HB2 LYS 41 1HB LYS 41 -5.495 -10.654 10.233 269 HB3 LYS 41 2HB LYS 41 -6.549 -9.517 11.064 270 HG2 LYS 41 1HG LYS 41 -8.072 -10.923 10.088 271 HG3 LYS 41 2HG LYS 41 -7.955 -9.647 8.874 272 HD2 LYS 41 1HD LYS 41 -6.133 -11.110 7.806 273 HD3 LYS 41 2HD LYS 41 -6.760 -12.402 8.833 274 HE2 LYS 41 1HE LYS 41 -8.009 -12.741 6.946 275 HE3 LYS 41 2HE LYS 41 -9.064 -11.634 7.822 276 HZ1 LYS 41 1HZ LYS 41 -8.579 -11.168 5.368 277 HZ2 LYS 41 2HZ LYS 41 -7.071 -10.616 5.900 278 HZ3 LYS 41 3HZ LYS 41 -8.486 -9.873 6.454 279 H ASN 42 H ASN 42 -3.384 -8.907 10.638 280 HA ASN 42 HA ASN 42 -3.876 -6.843 12.560 281 HB2 ASN 42 1HB ASN 42 -1.486 -8.569 11.931 282 HB3 ASN 42 2HB ASN 42 -1.426 -7.305 13.155 283 HD21 ASN 42 1HD2 ASN 42 -1.163 -10.206 13.408 284 HD22 ASN 42 2HD2 ASN 42 -2.377 -10.694 14.536 285 H LEU 43 H LEU 43 -2.249 -7.057 9.495 286 HA LEU 43 HA LEU 43 -0.815 -4.577 9.805 287 HB2 LEU 43 1HB LEU 43 0.104 -6.340 8.421 288 HB3 LEU 43 2HB LEU 43 -1.325 -6.309 7.390 289 HG LEU 43 HG LEU 43 -0.693 -3.961 6.756 290 HD11 LEU 43 1HD1 LEU 43 1.285 -4.429 8.783 291 HD12 LEU 43 2HD1 LEU 43 0.883 -2.937 7.932 292 HD13 LEU 43 3HD1 LEU 43 2.061 -4.054 7.244 293 HD21 LEU 43 1HD2 LEU 43 0.860 -6.405 6.083 294 HD22 LEU 43 2HD2 LEU 43 1.432 -4.855 5.464 295 HD23 LEU 43 3HD2 LEU 43 -0.194 -5.417 5.070 296 H GLU 44 H GLU 44 -3.942 -5.552 8.755 297 HA GLU 44 HA GLU 44 -4.713 -3.692 6.915 298 HB2 GLU 44 1HB GLU 44 -6.447 -5.096 7.382 299 HB3 GLU 44 2HB GLU 44 -6.103 -5.122 9.105 300 HG2 GLU 44 1HG GLU 44 -7.145 -2.977 9.399 301 HG3 GLU 44 2HG GLU 44 -7.376 -2.812 7.659 302 HA PRO 45 HA PRO 45 -5.701 -0.453 10.358 303 HB2 PRO 45 1HB PRO 45 -4.818 -0.989 12.868 304 HB3 PRO 45 2HB PRO 45 -6.405 -1.498 12.280 305 HG2 PRO 45 1HG PRO 45 -3.872 -3.078 12.504 306 HG3 PRO 45 2HG PRO 45 -5.529 -3.557 12.915 307 HD2 PRO 45 1HD PRO 45 -4.326 -4.306 10.607 308 HD3 PRO 45 2HD PRO 45 -6.074 -4.016 10.723 309 H GLU 46 H GLU 46 -2.675 -2.237 10.622 310 HA GLU 46 HA GLU 46 -1.087 -0.054 11.497 311 HB2 GLU 46 1HB GLU 46 -0.347 -2.630 10.104 312 HB3 GLU 46 2HB GLU 46 0.829 -1.481 10.727 313 HG2 GLU 46 1HG GLU 46 -1.121 -3.165 12.258 314 HG3 GLU 46 2HG GLU 46 0.639 -3.149 12.362 315 H TRP 47 H TRP 47 -2.192 -1.136 8.385 316 HA TRP 47 HA TRP 47 -0.350 0.603 6.955 317 HB2 TRP 47 1HB TRP 47 -1.054 -1.698 6.131 318 HB3 TRP 47 2HB TRP 47 -2.629 -0.991 5.782 319 HD1 TRP 47 HD TRP 47 -2.879 0.337 3.559 320 HE1 TRP 47 1HE TRP 47 -1.290 0.901 1.614 321 HE3 TRP 47 3HE TRP 47 1.539 -1.138 5.667 322 HZ2 TRP 47 2HZ TRP 47 1.471 0.740 1.048 323 HZ3 TRP 47 3HZ TRP 47 3.608 -0.900 4.357 324 HH2 TRP 47 HH TRP 47 3.572 0.019 2.095 325 H ALA 48 H ALA 48 -3.804 0.370 7.668 326 HA ALA 48 HA ALA 48 -4.729 2.475 6.098 327 HB1 ALA 48 1HB ALA 48 -6.476 1.314 6.968 328 HB2 ALA 48 2HB ALA 48 -5.697 1.094 8.535 329 HB3 ALA 48 3HB ALA 48 -6.437 2.642 8.128 330 H ALA 49 H ALA 49 -3.559 2.521 9.456 331 HA ALA 49 HA ALA 49 -3.930 5.297 9.849 332 HB1 ALA 49 1HB ALA 49 -2.808 5.029 11.885 333 HB2 ALA 49 2HB ALA 49 -3.596 3.474 11.609 334 HB3 ALA 49 3HB ALA 49 -1.871 3.658 11.291 335 H ALA 50 H ALA 50 -1.077 3.379 8.948 336 HA ALA 50 HA ALA 50 0.826 5.386 8.890 337 HB1 ALA 50 1HB ALA 50 0.676 2.707 8.087 338 HB2 ALA 50 2HB ALA 50 1.227 3.606 6.672 339 HB3 ALA 50 3HB ALA 50 2.116 3.721 8.190 340 H ALA 51 H ALA 51 -1.421 4.397 6.326 341 HA ALA 51 HA ALA 51 -0.521 6.008 4.266 342 HB1 ALA 51 1HB ALA 51 -2.592 5.670 3.225 343 HB2 ALA 51 2HB ALA 51 -2.369 4.246 4.243 344 HB3 ALA 51 3HB ALA 51 -3.445 5.543 4.764 345 H SER 52 H SER 52 -2.813 6.810 6.856 346 HA SER 52 HA SER 52 -3.304 9.457 5.938 347 HB2 SER 52 1HB SER 52 -3.892 7.931 8.444 348 HB3 SER 52 2HB SER 52 -4.069 9.686 8.454 349 HG SER 52 HG SER 52 -5.346 7.865 6.689 350 H GLU 53 H GLU 53 -0.989 8.011 8.141 351 HA GLU 53 HA GLU 53 -0.026 10.509 9.166 352 HB2 GLU 53 1HB GLU 53 0.253 8.643 10.593 353 HB3 GLU 53 2HB GLU 53 0.974 7.674 9.316 354 HG2 GLU 53 1HG GLU 53 2.753 8.257 10.705 355 HG3 GLU 53 2HG GLU 53 2.881 9.350 9.328 356 H VAL 54 H VAL 54 0.638 8.544 6.405 357 HA VAL 54 HA VAL 54 3.210 9.764 5.867 358 HB VAL 54 HB VAL 54 1.529 7.875 4.214 359 HG11 VAL 54 1HG1 VAL 54 4.256 9.049 3.728 360 HG12 VAL 54 2HG1 VAL 54 3.692 7.576 2.936 361 HG13 VAL 54 3HG1 VAL 54 2.842 9.099 2.676 362 HG21 VAL 54 1HG2 VAL 54 3.999 6.754 5.004 363 HG22 VAL 54 2HG2 VAL 54 3.271 7.477 6.439 364 HG23 VAL 54 3HG2 VAL 54 2.376 6.278 5.505 365 H LYS 55 H LYS 55 -0.101 9.960 4.666 366 HA LYS 55 HA LYS 55 0.508 11.745 2.521 367 HB2 LYS 55 1HB LYS 55 -1.753 11.718 2.044 368 HB3 LYS 55 2HB LYS 55 -1.562 10.185 2.884 369 HG2 LYS 55 1HG LYS 55 -2.465 11.096 4.899 370 HG3 LYS 55 2HG LYS 55 -2.468 12.725 4.219 371 HD2 LYS 55 1HD LYS 55 -4.060 11.889 2.469 372 HD3 LYS 55 2HD LYS 55 -4.163 10.378 3.376 373 HE2 LYS 55 1HE LYS 55 -4.722 11.970 5.377 374 HE3 LYS 55 2HE LYS 55 -5.154 13.102 4.096 375 HZ1 LYS 55 1HZ LYS 55 -6.286 10.382 4.467 376 HZ2 LYS 55 2HZ LYS 55 -6.684 11.441 3.211 377 HZ3 LYS 55 3HZ LYS 55 -7.072 11.840 4.808 378 H GLU 56 H GLU 56 -0.337 12.115 5.889 379 HA GLU 56 HA GLU 56 -0.939 14.911 5.715 380 HB2 GLU 56 1HB GLU 56 -1.281 14.844 8.020 381 HB3 GLU 56 2HB GLU 56 -1.706 13.217 7.508 382 HG2 GLU 56 1HG GLU 56 0.478 12.409 8.211 383 HG3 GLU 56 2HG GLU 56 0.934 14.041 8.696 384 H GLN 57 H GLN 57 1.919 12.992 6.242 385 HA GLN 57 HA GLN 57 3.490 15.293 7.072 386 HB2 GLN 57 1HB GLN 57 4.181 12.383 6.672 387 HB3 GLN 57 2HB GLN 57 5.369 13.605 7.107 388 HG2 GLN 57 1HG GLN 57 4.027 14.106 9.134 389 HG3 GLN 57 2HG GLN 57 2.973 12.756 8.715 390 HE21 GLN 57 1HE2 GLN 57 4.279 10.683 8.229 391 HE22 GLN 57 2HE2 GLN 57 5.494 10.290 9.393 392 H THR 58 H THR 58 3.227 13.087 4.322 393 HA THR 58 HA THR 58 5.296 14.474 2.849 394 HB THR 58 HB THR 58 4.903 12.885 1.077 395 HG1 THR 58 1HG THR 58 2.528 12.373 2.523 396 HG21 THR 58 1HG2 THR 58 5.182 10.742 2.319 397 HG22 THR 58 2HG2 THR 58 4.790 11.603 3.808 398 HG23 THR 58 3HG2 THR 58 6.235 12.034 2.894 399 H LYS 59 H LYS 59 2.681 15.774 3.674 400 HA LYS 59 HA LYS 59 1.078 17.153 2.811 401 HB2 LYS 59 1HB LYS 59 3.336 17.561 0.848 402 HB3 LYS 59 2HB LYS 59 1.897 18.570 0.896 403 HG2 LYS 59 1HG LYS 59 3.634 18.187 3.310 404 HG3 LYS 59 2HG LYS 59 3.983 19.416 2.091 405 HD2 LYS 59 1HD LYS 59 1.819 20.439 2.455 406 HD3 LYS 59 2HD LYS 59 1.376 19.163 3.592 407 HE2 LYS 59 1HE LYS 59 2.049 21.141 4.806 408 HE3 LYS 59 2HE LYS 59 3.236 19.861 5.052 409 HZ1 LYS 59 1HZ LYS 59 3.566 21.988 3.016 410 HZ2 LYS 59 2HZ LYS 59 4.734 20.902 3.578 411 HZ3 LYS 59 3HZ LYS 59 4.162 22.128 4.593 412 H GLY 60 H GLY 60 1.010 14.359 1.906 413 HA2 GLY 60 1HA GLY 60 -0.467 13.190 0.561 414 HA3 GLY 60 2HA GLY 60 -0.919 14.708 -0.201 415 H LYS 61 H LYS 61 2.404 13.664 0.003 416 HA LYS 61 HA LYS 61 2.519 13.578 -2.909 417 HB2 LYS 61 1HB LYS 61 4.260 14.887 -2.073 418 HB3 LYS 61 2HB LYS 61 4.562 13.799 -0.725 419 HG2 LYS 61 1HG LYS 61 6.359 13.700 -2.356 420 HG3 LYS 61 2HG LYS 61 5.514 12.154 -2.251 421 HD2 LYS 61 1HD LYS 61 4.534 12.400 -4.327 422 HD3 LYS 61 2HD LYS 61 4.663 14.160 -4.295 423 HE2 LYS 61 1HE LYS 61 7.193 13.789 -4.392 424 HE3 LYS 61 2HE LYS 61 6.808 12.129 -4.844 425 HZ1 LYS 61 1HZ LYS 61 5.269 13.457 -6.546 426 HZ2 LYS 61 2HZ LYS 61 6.862 13.011 -6.900 427 HZ3 LYS 61 3HZ LYS 61 6.521 14.583 -6.375 428 H VAL 62 H VAL 62 3.298 11.532 -0.119 429 HA VAL 62 HA VAL 62 3.777 9.263 -1.903 430 HB VAL 62 HB VAL 62 4.091 9.396 1.098 431 HG11 VAL 62 1HG1 VAL 62 5.761 7.444 0.141 432 HG12 VAL 62 2HG1 VAL 62 4.178 7.172 0.873 433 HG13 VAL 62 3HG1 VAL 62 4.336 7.266 -0.882 434 HG21 VAL 62 1HG2 VAL 62 5.673 10.914 0.290 435 HG22 VAL 62 2HG2 VAL 62 6.573 9.406 0.445 436 HG23 VAL 62 3HG2 VAL 62 6.014 9.940 -1.140 437 H LYS 63 H LYS 63 2.071 8.088 -2.456 438 HA LYS 63 HA LYS 63 -0.217 7.911 -0.639 439 HB2 LYS 63 1HB LYS 63 0.037 7.031 -3.521 440 HB3 LYS 63 2HB LYS 63 -1.441 7.025 -2.568 441 HG2 LYS 63 1HG LYS 63 -1.614 9.340 -2.585 442 HG3 LYS 63 2HG LYS 63 0.089 9.560 -2.995 443 HD2 LYS 63 1HD LYS 63 -0.867 9.984 -5.031 444 HD3 LYS 63 2HD LYS 63 -0.622 8.241 -5.168 445 HE2 LYS 63 1HE LYS 63 -2.853 7.773 -4.951 446 HE3 LYS 63 2HE LYS 63 -3.174 9.218 -3.993 447 HZ1 LYS 63 1HZ LYS 63 -3.482 10.478 -5.826 448 HZ2 LYS 63 2HZ LYS 63 -3.899 8.992 -6.517 449 HZ3 LYS 63 3HZ LYS 63 -2.352 9.632 -6.758 450 H LEU 64 H LEU 64 -1.121 5.924 -0.023 451 HA LEU 64 HA LEU 64 0.696 3.620 -0.298 452 HB2 LEU 64 1HB LEU 64 -0.790 4.722 2.019 453 HB3 LEU 64 2HB LEU 64 -0.656 2.969 1.902 454 HG LEU 64 HG LEU 64 1.867 3.357 1.708 455 HD11 LEU 64 1HD1 LEU 64 0.993 6.055 2.726 456 HD12 LEU 64 2HD1 LEU 64 1.876 5.711 1.239 457 HD13 LEU 64 3HD1 LEU 64 2.645 5.441 2.802 458 HD21 LEU 64 1HD2 LEU 64 0.348 3.947 4.244 459 HD22 LEU 64 2HD2 LEU 64 2.078 3.607 4.181 460 HD23 LEU 64 3HD2 LEU 64 0.918 2.378 3.674 461 H ALA 65 H ALA 65 -0.110 2.017 -1.464 462 HA ALA 65 HA ALA 65 -3.036 1.662 -1.541 463 HB1 ALA 65 1HB ALA 65 -0.968 1.434 -3.684 464 HB2 ALA 65 2HB ALA 65 -2.457 0.494 -3.792 465 HB3 ALA 65 3HB ALA 65 -2.529 2.255 -3.713 466 H ALA 66 H ALA 66 -3.722 -0.601 -2.037 467 HA ALA 66 HA ALA 66 -1.856 -2.601 -0.959 468 HB1 ALA 66 1HB ALA 66 -4.746 -2.302 -0.150 469 HB2 ALA 66 2HB ALA 66 -3.663 -3.600 0.355 470 HB3 ALA 66 3HB ALA 66 -3.342 -1.939 0.853 471 H VAL 67 H VAL 67 -2.165 -4.729 -1.691 472 HA VAL 67 HA VAL 67 -4.174 -5.150 -3.780 473 HB VAL 67 HB VAL 67 -1.226 -5.691 -4.160 474 HG11 VAL 67 1HG1 VAL 67 -3.554 -6.272 -5.988 475 HG12 VAL 67 2HG1 VAL 67 -1.849 -6.502 -6.381 476 HG13 VAL 67 3HG1 VAL 67 -2.601 -7.469 -5.112 477 HG21 VAL 67 1HG2 VAL 67 -2.561 -3.336 -4.534 478 HG22 VAL 67 2HG2 VAL 67 -1.085 -3.811 -5.374 479 HG23 VAL 67 3HG2 VAL 67 -2.655 -4.073 -6.134 480 H ASP 68 H ASP 68 -4.715 -7.326 -4.149 481 HA ASP 68 HA ASP 68 -3.947 -9.113 -1.950 482 HB2 ASP 68 1HB ASP 68 -6.403 -8.498 -2.497 483 HB3 ASP 68 2HB ASP 68 -6.223 -9.611 -3.851 484 H ALA 69 H ALA 69 -2.338 -10.448 -2.437 485 HA ALA 69 HA ALA 69 -1.485 -11.104 -5.027 486 HB1 ALA 69 1HB ALA 69 -0.879 -13.041 -2.886 487 HB2 ALA 69 2HB ALA 69 0.198 -12.214 -4.012 488 HB3 ALA 69 3HB ALA 69 -0.400 -11.371 -2.583 489 H THR 70 H THR 70 -4.204 -12.142 -3.384 490 HA THR 70 HA THR 70 -4.291 -14.826 -4.450 491 HB THR 70 HB THR 70 -6.444 -15.029 -3.403 492 HG1 THR 70 1HG THR 70 -7.246 -13.029 -2.294 493 HG21 THR 70 1HG2 THR 70 -4.574 -13.418 -1.662 494 HG22 THR 70 2HG2 THR 70 -4.545 -15.166 -1.889 495 HG23 THR 70 3HG2 THR 70 -5.912 -14.404 -1.077 496 H VAL 71 H VAL 71 -5.466 -11.662 -5.315 497 HA VAL 71 HA VAL 71 -6.978 -12.818 -7.559 498 HB VAL 71 HB VAL 71 -8.198 -11.273 -6.006 499 HG11 VAL 71 1HG1 VAL 71 -5.968 -9.748 -6.077 500 HG12 VAL 71 2HG1 VAL 71 -6.978 -8.903 -7.252 501 HG13 VAL 71 3HG1 VAL 71 -7.558 -9.152 -5.605 502 HG21 VAL 71 1HG2 VAL 71 -8.485 -11.609 -8.644 503 HG22 VAL 71 2HG2 VAL 71 -9.525 -10.546 -7.696 504 HG23 VAL 71 3HG2 VAL 71 -8.177 -9.873 -8.612 505 H ASN 72 H ASN 72 -4.310 -10.760 -6.702 506 HA ASN 72 HA ASN 72 -3.925 -9.927 -9.477 507 HB2 ASN 72 1HB ASN 72 -2.829 -9.044 -6.839 508 HB3 ASN 72 2HB ASN 72 -1.880 -8.741 -8.291 509 HD21 ASN 72 1HD2 ASN 72 -5.071 -8.270 -6.865 510 HD22 ASN 72 2HD2 ASN 72 -5.418 -6.792 -7.690 511 H GLN 73 H GLN 73 -2.857 -11.281 -10.753 512 HA GLN 73 HA GLN 73 -0.677 -12.887 -9.598 513 HB2 GLN 73 1HB GLN 73 -2.302 -13.412 -12.093 514 HB3 GLN 73 2HB GLN 73 -1.024 -14.444 -11.464 515 HG2 GLN 73 1HG GLN 73 -3.301 -13.791 -9.677 516 HG3 GLN 73 2HG GLN 73 -3.568 -14.932 -10.993 517 HE21 GLN 73 1HE2 GLN 73 -2.843 -14.738 -7.840 518 HE22 GLN 73 2HE2 GLN 73 -1.949 -16.202 -7.636 519 H VAL 74 H VAL 74 -1.620 -10.889 -12.353 520 HA VAL 74 HA VAL 74 0.667 -11.068 -13.902 521 HB VAL 74 HB VAL 74 -0.990 -8.579 -13.471 522 HG11 VAL 74 1HG1 VAL 74 -0.185 -8.598 -16.082 523 HG12 VAL 74 2HG1 VAL 74 0.588 -7.682 -14.787 524 HG13 VAL 74 3HG1 VAL 74 1.226 -9.258 -15.255 525 HG21 VAL 74 1HG2 VAL 74 -2.577 -9.375 -14.888 526 HG22 VAL 74 2HG2 VAL 74 -1.431 -10.360 -15.797 527 HG23 VAL 74 3HG2 VAL 74 -2.026 -10.917 -14.233 528 H LEU 75 H LEU 75 0.051 -9.098 -11.047 529 HA LEU 75 HA LEU 75 2.626 -7.781 -11.242 530 HB2 LEU 75 1HB LEU 75 0.759 -7.670 -8.896 531 HB3 LEU 75 2HB LEU 75 1.959 -6.482 -9.401 532 HG LEU 75 HG LEU 75 -0.508 -7.091 -11.015 533 HD11 LEU 75 1HD1 LEU 75 -0.348 -4.648 -9.347 534 HD12 LEU 75 2HD1 LEU 75 -0.745 -6.163 -8.538 535 HD13 LEU 75 3HD1 LEU 75 -1.752 -5.581 -9.864 536 HD21 LEU 75 1HD2 LEU 75 1.437 -5.983 -12.115 537 HD22 LEU 75 2HD2 LEU 75 1.273 -4.659 -10.960 538 HD23 LEU 75 3HD2 LEU 75 -0.033 -5.008 -12.094 539 H ALA 76 H ALA 76 1.019 -10.064 -9.041 540 HA ALA 76 HA ALA 76 3.009 -10.442 -7.181 541 HB1 ALA 76 1HB ALA 76 1.062 -11.542 -6.656 542 HB2 ALA 76 2HB ALA 76 0.881 -12.221 -8.273 543 HB3 ALA 76 3HB ALA 76 2.082 -12.887 -7.167 544 H SER 77 H SER 77 2.669 -11.997 -10.348 545 HA SER 77 HA SER 77 5.000 -13.629 -10.023 546 HB2 SER 77 1HB SER 77 3.026 -13.103 -12.179 547 HB3 SER 77 2HB SER 77 4.615 -13.678 -12.685 548 HG SER 77 HG SER 77 3.643 -15.534 -12.271 549 H ARG 78 H ARG 78 4.265 -10.603 -11.704 550 HA ARG 78 HA ARG 78 6.507 -10.147 -13.163 551 HB2 ARG 78 1HB ARG 78 4.578 -8.591 -12.962 552 HB3 ARG 78 2HB ARG 78 5.185 -8.087 -11.390 553 HG2 ARG 78 1HG ARG 78 7.125 -7.114 -12.359 554 HG3 ARG 78 2HG ARG 78 6.765 -7.825 -13.934 555 HD2 ARG 78 1HD ARG 78 4.536 -6.478 -13.697 556 HD3 ARG 78 2HD ARG 78 5.467 -5.524 -12.543 557 HE ARG 78 HE ARG 78 6.682 -4.647 -14.286 558 HH11 ARG 78 2HH1 ARG 78 4.811 -7.359 -15.410 559 HH12 ARG 78 1HH1 ARG 78 5.141 -7.059 -17.085 560 HH21 ARG 78 2HH2 ARG 78 7.123 -4.241 -16.486 561 HH22 ARG 78 1HH2 ARG 78 6.457 -5.286 -17.696 562 H TYR 79 H TYR 79 6.157 -9.405 -9.697 563 HA TYR 79 HA TYR 79 9.078 -9.133 -9.525 564 HB2 TYR 79 1HB TYR 79 7.149 -8.365 -7.349 565 HB3 TYR 79 2HB TYR 79 8.786 -7.778 -7.625 566 HD1 TYR 79 1HD TYR 79 9.229 -6.144 -9.424 567 HD2 TYR 79 2HD TYR 79 5.273 -7.376 -8.459 568 HE1 TYR 79 1HE TYR 79 8.334 -4.207 -10.648 569 HE2 TYR 79 2HE TYR 79 4.366 -5.444 -9.682 570 HH TYR 79 HH TYR 79 6.435 -2.914 -10.912 571 H GLY 80 H GLY 80 6.406 -11.086 -8.566 572 HA2 GLY 80 1HA GLY 80 6.568 -13.275 -7.742 573 HA3 GLY 80 2HA GLY 80 8.239 -12.961 -7.299 574 H ILE 81 H ILE 81 4.885 -12.402 -6.371 575 HA ILE 81 HA ILE 81 5.796 -11.791 -3.639 576 HB ILE 81 HB ILE 81 3.062 -11.269 -4.805 577 HG12 ILE 81 1HG1 ILE 81 4.823 -9.944 -5.942 578 HG13 ILE 81 2HG1 ILE 81 3.723 -8.937 -5.005 579 HG21 ILE 81 1HG2 ILE 81 2.438 -10.636 -2.766 580 HG22 ILE 81 2HG2 ILE 81 3.928 -11.366 -2.170 581 HG23 ILE 81 3HG2 ILE 81 3.883 -9.646 -2.558 582 HD11 ILE 81 1HD1 ILE 81 6.475 -8.888 -4.918 583 HD12 ILE 81 2HD1 ILE 81 5.375 -8.157 -3.749 584 HD13 ILE 81 3HD1 ILE 81 6.025 -9.771 -3.459 585 H ARG 82 H ARG 82 5.970 -13.743 -2.661 586 HA ARG 82 HA ARG 82 3.546 -15.418 -2.607 587 HB2 ARG 82 1HB ARG 82 6.438 -16.290 -2.596 588 HB3 ARG 82 2HB ARG 82 5.092 -17.362 -2.238 589 HG2 ARG 82 1HG ARG 82 4.196 -16.597 -4.547 590 HG3 ARG 82 2HG ARG 82 5.867 -16.104 -4.830 591 HD2 ARG 82 1HD ARG 82 5.139 -18.859 -3.874 592 HD3 ARG 82 2HD ARG 82 5.204 -18.443 -5.586 593 HE ARG 82 HE ARG 82 7.603 -17.680 -4.300 594 HH11 ARG 82 2HH1 ARG 82 5.875 -20.486 -5.423 595 HH12 ARG 82 1HH1 ARG 82 7.308 -21.425 -5.685 596 HH21 ARG 82 2HH2 ARG 82 9.496 -18.905 -4.641 597 HH22 ARG 82 1HH2 ARG 82 9.367 -20.525 -5.239 598 H GLY 83 H GLY 83 5.957 -13.730 -0.852 599 HA2 GLY 83 1HA GLY 83 5.061 -14.980 1.667 600 HA3 GLY 83 2HA GLY 83 6.605 -14.169 1.448 601 H PHE 84 H PHE 84 3.269 -13.805 2.206 602 HA PHE 84 HA PHE 84 3.471 -10.888 2.236 603 HB2 PHE 84 1HB PHE 84 0.996 -12.306 3.106 604 HB3 PHE 84 2HB PHE 84 1.170 -10.806 2.200 605 HD1 PHE 84 2HD PHE 84 3.154 -12.056 0.158 606 HD2 PHE 84 1HD PHE 84 -0.664 -13.221 1.637 607 HE1 PHE 84 2HE PHE 84 2.718 -13.272 -1.936 608 HE2 PHE 84 1HE PHE 84 -1.106 -14.440 -0.455 609 HZ PHE 84 HZ PHE 84 0.585 -14.465 -2.245 610 HA PRO 85 HA PRO 85 1.979 -9.345 3.272 611 HB2 PRO 85 1HB PRO 85 3.004 -7.193 4.571 612 HB3 PRO 85 2HB PRO 85 1.534 -8.022 5.097 613 HG2 PRO 85 1HG PRO 85 4.331 -8.284 6.132 614 HG3 PRO 85 2HG PRO 85 2.808 -8.185 7.035 615 HD2 PRO 85 1HD PRO 85 4.084 -10.530 6.582 616 HD3 PRO 85 2HD PRO 85 2.316 -10.411 6.695 617 H THR 86 H THR 86 2.911 -7.761 1.837 618 HA THR 86 HA THR 86 5.834 -7.842 1.590 619 HB THR 86 HB THR 86 4.216 -8.027 -0.915 620 HG1 THR 86 1HG THR 86 5.133 -10.420 0.199 621 HG21 THR 86 1HG2 THR 86 6.393 -7.795 -1.535 622 HG22 THR 86 2HG2 THR 86 6.392 -9.543 -1.301 623 HG23 THR 86 3HG2 THR 86 7.007 -8.483 -0.032 624 H ILE 87 H ILE 87 6.461 -5.794 1.728 625 HA ILE 87 HA ILE 87 4.772 -3.705 0.533 626 HB ILE 87 HB ILE 87 6.960 -3.440 2.598 627 HG12 ILE 87 1HG1 ILE 87 4.091 -2.784 3.106 628 HG13 ILE 87 2HG1 ILE 87 4.576 -4.476 3.114 629 HG21 ILE 87 1HG2 ILE 87 5.750 -1.108 2.764 630 HG22 ILE 87 2HG2 ILE 87 7.029 -1.390 1.584 631 HG23 ILE 87 3HG2 ILE 87 5.339 -1.456 1.085 632 HD11 ILE 87 1HD1 ILE 87 5.159 -2.325 5.035 633 HD12 ILE 87 2HD1 ILE 87 4.921 -4.053 5.294 634 HD13 ILE 87 3HD1 ILE 87 6.472 -3.455 4.707 635 H LYS 88 H LYS 88 5.429 -2.732 -1.262 636 HA LYS 88 HA LYS 88 8.299 -2.605 -1.858 637 HB2 LYS 88 1HB LYS 88 6.190 -3.369 -3.884 638 HB3 LYS 88 2HB LYS 88 7.919 -3.232 -4.174 639 HG2 LYS 88 1HG LYS 88 7.000 -5.116 -2.072 640 HG3 LYS 88 2HG LYS 88 6.759 -5.561 -3.763 641 HD2 LYS 88 1HD LYS 88 9.273 -4.845 -3.985 642 HD3 LYS 88 2HD LYS 88 9.297 -5.147 -2.246 643 HE2 LYS 88 1HE LYS 88 8.650 -7.412 -2.546 644 HE3 LYS 88 2HE LYS 88 8.262 -7.145 -4.245 645 HZ1 LYS 88 1HZ LYS 88 10.303 -8.022 -4.520 646 HZ2 LYS 88 2HZ LYS 88 10.842 -7.580 -2.979 647 HZ3 LYS 88 3HZ LYS 88 10.815 -6.437 -4.225 648 H ILE 89 H ILE 89 8.975 -0.740 -2.811 649 HA ILE 89 HA ILE 89 6.937 1.347 -3.151 650 HB ILE 89 HB ILE 89 9.917 1.594 -2.731 651 HG12 ILE 89 1HG1 ILE 89 8.907 2.846 -0.633 652 HG13 ILE 89 2HG1 ILE 89 7.520 1.810 -0.956 653 HG21 ILE 89 1HG2 ILE 89 9.691 3.577 -3.729 654 HG22 ILE 89 2HG2 ILE 89 7.931 3.482 -3.707 655 HG23 ILE 89 3HG2 ILE 89 8.800 4.068 -2.289 656 HD11 ILE 89 1HD1 ILE 89 9.545 1.118 0.644 657 HD12 ILE 89 2HD1 ILE 89 8.584 -0.049 -0.266 658 HD13 ILE 89 3HD1 ILE 89 10.148 0.480 -0.885 659 H PHE 90 H PHE 90 6.680 2.431 -5.038 660 HA PHE 90 HA PHE 90 8.466 1.713 -7.267 661 HB2 PHE 90 1HB PHE 90 5.456 1.996 -7.323 662 HB3 PHE 90 2HB PHE 90 6.463 1.839 -8.758 663 HD1 PHE 90 2HD PHE 90 7.585 -0.266 -9.265 664 HD2 PHE 90 1HD PHE 90 4.999 0.120 -5.907 665 HE1 PHE 90 2HE PHE 90 7.462 -2.716 -9.083 666 HE2 PHE 90 1HE PHE 90 4.873 -2.330 -5.718 667 HZ PHE 90 HZ PHE 90 6.104 -3.752 -7.308 668 H GLN 91 H GLN 91 9.605 3.498 -7.675 669 HA GLN 91 HA GLN 91 8.345 6.119 -7.433 670 HB2 GLN 91 1HB GLN 91 11.199 5.218 -7.767 671 HB3 GLN 91 2HB GLN 91 10.731 6.904 -7.937 672 HG2 GLN 91 1HG GLN 91 11.325 6.889 -5.747 673 HG3 GLN 91 2HG GLN 91 9.618 6.481 -5.591 674 HE21 GLN 91 1HE2 GLN 91 11.654 5.899 -3.703 675 HE22 GLN 91 2HE2 GLN 91 11.763 4.181 -3.564 676 H LYS 92 H LYS 92 7.698 7.291 -9.121 677 HA LYS 92 HA LYS 92 7.560 6.229 -11.712 678 HB2 LYS 92 1HB LYS 92 6.266 8.210 -10.484 679 HB3 LYS 92 2HB LYS 92 7.450 9.183 -11.347 680 HG2 LYS 92 1HG LYS 92 5.598 7.190 -12.637 681 HG3 LYS 92 2HG LYS 92 5.323 8.932 -12.564 682 HD2 LYS 92 1HD LYS 92 7.851 7.813 -13.727 683 HD3 LYS 92 2HD LYS 92 6.380 7.936 -14.696 684 HE2 LYS 92 1HE LYS 92 7.301 9.962 -15.176 685 HE3 LYS 92 2HE LYS 92 6.398 10.403 -13.727 686 HZ1 LYS 92 1HZ LYS 92 8.276 10.956 -12.724 687 HZ2 LYS 92 2HZ LYS 92 9.122 10.660 -14.158 688 HZ3 LYS 92 3HZ LYS 92 8.949 9.430 -13.009 689 H GLY 93 H GLY 93 9.165 5.930 -13.104 690 HA2 GLY 93 1HA GLY 93 10.774 6.852 -14.616 691 HA3 GLY 93 2HA GLY 93 11.175 8.056 -13.400 692 H GLU 94 H GLU 94 11.451 6.288 -11.194 693 HA GLU 94 HA GLU 94 14.042 5.121 -11.886 694 HB2 GLU 94 1HB GLU 94 12.766 5.869 -9.258 695 HB3 GLU 94 2HB GLU 94 14.263 4.952 -9.355 696 HG2 GLU 94 1HG GLU 94 14.047 7.535 -10.819 697 HG3 GLU 94 2HG GLU 94 14.296 7.547 -9.074 698 H SER 95 H SER 95 14.569 3.133 -10.383 699 HA SER 95 HA SER 95 12.645 1.094 -11.115 700 HB2 SER 95 1HB SER 95 15.470 1.087 -10.114 701 HB3 SER 95 2HB SER 95 14.503 -0.383 -9.989 702 HG SER 95 HG SER 95 15.238 -0.626 -11.966 703 HA PRO 96 HA PRO 96 10.739 0.549 -7.201 704 HB2 PRO 96 1HB PRO 96 10.340 -2.136 -7.168 705 HB3 PRO 96 2HB PRO 96 9.412 -1.039 -8.198 706 HG2 PRO 96 1HG PRO 96 11.764 -2.756 -8.894 707 HG3 PRO 96 2HG PRO 96 10.271 -2.480 -9.809 708 HD2 PRO 96 1HD PRO 96 12.595 -1.221 -10.398 709 HD3 PRO 96 2HD PRO 96 11.009 -0.463 -10.646 710 H VAL 97 H VAL 97 10.860 -0.852 -5.165 711 HA VAL 97 HA VAL 97 13.531 -1.909 -4.636 712 HB VAL 97 HB VAL 97 13.561 0.522 -4.034 713 HG11 VAL 97 1HG1 VAL 97 11.078 -0.111 -2.867 714 HG12 VAL 97 2HG1 VAL 97 12.170 0.306 -1.545 715 HG13 VAL 97 3HG1 VAL 97 11.912 1.443 -2.869 716 HG21 VAL 97 1HG2 VAL 97 14.808 0.199 -2.081 717 HG22 VAL 97 2HG2 VAL 97 13.814 -1.163 -1.563 718 HG23 VAL 97 3HG2 VAL 97 14.921 -1.346 -2.924 719 H ASP 98 H ASP 98 13.633 -2.894 -2.404 720 HA ASP 98 HA ASP 98 11.053 -4.180 -1.806 721 HB2 ASP 98 1HB ASP 98 12.493 -6.001 -0.795 722 HB3 ASP 98 2HB ASP 98 12.603 -5.830 -2.544 723 H TYR 99 H TYR 99 10.143 -3.157 -0.134 724 HA TYR 99 HA TYR 99 11.561 -1.772 1.877 725 HB2 TYR 99 1HB TYR 99 9.242 -1.233 1.305 726 HB3 TYR 99 2HB TYR 99 8.718 -2.807 1.890 727 HD1 TYR 99 2HD TYR 99 8.816 -3.314 4.320 728 HD2 TYR 99 1HD TYR 99 9.647 0.575 2.807 729 HE1 TYR 99 2HE TYR 99 8.507 -2.378 6.574 730 HE2 TYR 99 1HE TYR 99 9.342 1.521 5.057 731 HH TYR 99 HH TYR 99 8.199 -0.443 7.737 732 H ASP 100 H ASP 100 12.445 -2.431 3.730 733 HA ASP 100 HA ASP 100 11.658 -5.012 4.868 734 HB2 ASP 100 1HB ASP 100 13.640 -5.428 3.449 735 HB3 ASP 100 2HB ASP 100 14.534 -4.219 4.366 736 H GLY 101 H GLY 101 11.391 -4.907 7.008 737 HA2 GLY 101 1HA GLY 101 12.943 -3.753 8.921 738 HA3 GLY 101 2HA GLY 101 11.923 -2.430 8.377 739 H GLY 102 H GLY 102 10.408 -2.101 9.869 740 HA2 GLY 102 1HA GLY 102 9.280 -4.388 11.303 741 HA3 GLY 102 2HA GLY 102 9.079 -2.695 11.729 742 H ARG 103 H ARG 103 7.008 -4.667 11.563 743 HA ARG 103 HA ARG 103 5.512 -3.839 9.179 744 HB2 ARG 103 1HB ARG 103 5.825 -6.313 9.968 745 HB3 ARG 103 2HB ARG 103 4.553 -5.915 11.116 746 HG2 ARG 103 1HG ARG 103 3.165 -5.178 9.149 747 HG3 ARG 103 2HG ARG 103 4.403 -5.896 8.116 748 HD2 ARG 103 1HD ARG 103 2.287 -7.270 8.861 749 HD3 ARG 103 2HD ARG 103 3.871 -8.034 8.731 750 HE ARG 103 HE ARG 103 2.382 -7.500 11.154 751 HH11 ARG 103 2HH1 ARG 103 5.458 -8.307 9.738 752 HH12 ARG 103 1HH1 ARG 103 6.096 -8.994 11.195 753 HH21 ARG 103 2HH2 ARG 103 3.210 -8.402 13.079 754 HH22 ARG 103 1HH2 ARG 103 4.816 -9.049 13.094 755 H THR 104 H THR 104 5.727 -1.800 10.897 756 HA THR 104 HA THR 104 3.009 -1.582 11.979 757 HB THR 104 HB THR 104 3.868 -0.335 13.946 758 HG1 THR 104 1HG THR 104 5.958 0.008 14.185 759 HG21 THR 104 1HG2 THR 104 3.744 -2.257 15.069 760 HG22 THR 104 2HG2 THR 104 5.306 -2.780 14.438 761 HG23 THR 104 3HG2 THR 104 3.832 -3.108 13.528 762 H ARG 105 H ARG 105 2.036 0.346 11.620 763 HA ARG 105 HA ARG 105 2.632 2.017 9.619 764 HB2 ARG 105 1HB ARG 105 1.170 3.624 10.538 765 HB3 ARG 105 2HB ARG 105 0.609 2.080 11.164 766 HG2 ARG 105 1HG ARG 105 2.193 2.706 13.174 767 HG3 ARG 105 2HG ARG 105 1.911 4.342 12.576 768 HD2 ARG 105 1HD ARG 105 -0.509 3.969 12.731 769 HD3 ARG 105 2HD ARG 105 -0.212 2.344 13.348 770 HE ARG 105 HE ARG 105 0.127 3.261 15.405 771 HH11 ARG 105 2HH1 ARG 105 0.630 5.729 13.001 772 HH12 ARG 105 1HH1 ARG 105 0.862 6.994 14.161 773 HH21 ARG 105 2HH2 ARG 105 0.430 4.918 16.941 774 HH22 ARG 105 1HH2 ARG 105 0.749 6.532 16.402 775 H SER 106 H SER 106 4.007 2.201 12.854 776 HA SER 106 HA SER 106 5.250 4.651 12.801 777 HB2 SER 106 1HB SER 106 6.432 2.097 13.919 778 HB3 SER 106 2HB SER 106 6.865 3.740 14.390 779 HG SER 106 HG SER 106 4.594 3.961 15.008 780 H ASP 107 H ASP 107 6.759 1.574 11.806 781 HA ASP 107 HA ASP 107 9.039 2.816 10.668 782 HB2 ASP 107 1HB ASP 107 7.871 0.049 10.332 783 HB3 ASP 107 2HB ASP 107 9.397 0.551 9.610 784 H ILE 108 H ILE 108 6.215 1.256 9.148 785 HA ILE 108 HA ILE 108 6.740 1.641 6.511 786 HB ILE 108 HB ILE 108 4.062 2.099 7.833 787 HG12 ILE 108 1HG1 ILE 108 4.823 -0.432 6.445 788 HG13 ILE 108 2HG1 ILE 108 5.456 -0.150 8.063 789 HG21 ILE 108 1HG2 ILE 108 3.042 1.864 5.753 790 HG22 ILE 108 2HG2 ILE 108 4.434 2.892 5.415 791 HG23 ILE 108 3HG2 ILE 108 4.488 1.175 5.015 792 HD11 ILE 108 1HD1 ILE 108 3.064 0.256 8.774 793 HD12 ILE 108 2HD1 ILE 108 2.594 -0.397 7.204 794 HD13 ILE 108 3HD1 ILE 108 3.492 -1.399 8.344 795 H VAL 109 H VAL 109 5.526 4.065 8.779 796 HA VAL 109 HA VAL 109 5.202 6.108 6.809 797 HB VAL 109 HB VAL 109 5.399 6.292 9.817 798 HG11 VAL 109 1HG1 VAL 109 6.029 8.382 8.529 799 HG12 VAL 109 2HG1 VAL 109 4.359 8.417 7.960 800 HG13 VAL 109 3HG1 VAL 109 4.707 8.544 9.685 801 HG21 VAL 109 1HG2 VAL 109 3.379 5.272 8.219 802 HG22 VAL 109 2HG2 VAL 109 3.227 5.791 9.898 803 HG23 VAL 109 3HG2 VAL 109 2.847 6.912 8.591 804 H SER 110 H SER 110 7.663 5.446 9.288 805 HA SER 110 HA SER 110 9.315 7.595 9.014 806 HB2 SER 110 1HB SER 110 9.843 5.923 10.641 807 HB3 SER 110 2HB SER 110 10.035 4.685 9.399 808 HG SER 110 HG SER 110 12.069 5.325 9.886 809 H ARG 111 H ARG 111 9.314 4.689 6.971 810 HA ARG 111 HA ARG 111 11.440 5.467 5.300 811 HB2 ARG 111 1HB ARG 111 10.387 3.159 5.522 812 HB3 ARG 111 2HB ARG 111 9.116 3.742 4.456 813 HG2 ARG 111 1HG ARG 111 10.659 2.561 3.111 814 HG3 ARG 111 2HG ARG 111 10.905 4.277 2.780 815 HD2 ARG 111 1HD ARG 111 13.076 3.655 3.051 816 HD3 ARG 111 2HD ARG 111 12.680 4.007 4.733 817 HE ARG 111 HE ARG 111 12.910 1.782 5.216 818 HH11 ARG 111 2HH1 ARG 111 12.647 2.181 1.767 819 HH12 ARG 111 1HH1 ARG 111 13.021 0.526 1.416 820 HH21 ARG 111 2HH2 ARG 111 13.404 -0.399 4.766 821 HH22 ARG 111 1HH2 ARG 111 13.450 -0.941 3.122 822 H ALA 112 H ALA 112 7.936 5.529 4.616 823 HA ALA 112 HA ALA 112 7.802 6.714 2.219 824 HB1 ALA 112 1HB ALA 112 5.968 6.232 4.078 825 HB2 ALA 112 2HB ALA 112 6.074 7.983 4.267 826 HB3 ALA 112 3HB ALA 112 5.656 7.289 2.700 827 H LEU 113 H LEU 113 8.671 8.347 5.217 828 HA LEU 113 HA LEU 113 8.705 10.973 4.124 829 HB2 LEU 113 1HB LEU 113 9.932 9.762 6.587 830 HB3 LEU 113 2HB LEU 113 10.107 11.467 6.176 831 HG LEU 113 HG LEU 113 7.449 10.113 6.612 832 HD11 LEU 113 1HD1 LEU 113 7.731 11.724 8.741 833 HD12 LEU 113 2HD1 LEU 113 9.407 11.226 8.516 834 HD13 LEU 113 3HD1 LEU 113 8.152 10.011 8.753 835 HD21 LEU 113 1HD2 LEU 113 7.774 13.003 7.002 836 HD22 LEU 113 2HD2 LEU 113 6.490 12.100 6.198 837 HD23 LEU 113 3HD2 LEU 113 7.991 12.452 5.341 838 H ASP 114 H ASP 114 11.189 8.512 4.671 839 HA ASP 114 HA ASP 114 13.461 9.945 4.040 840 HB2 ASP 114 1HB ASP 114 12.684 7.077 3.809 841 HB3 ASP 114 2HB ASP 114 14.162 7.595 3.002 842 H LEU 115 H LEU 115 11.105 8.472 1.871 843 HA LEU 115 HA LEU 115 12.610 9.193 -0.490 844 HB2 LEU 115 1HB LEU 115 9.754 8.279 -0.453 845 HB3 LEU 115 2HB LEU 115 10.956 8.085 -1.727 846 HG LEU 115 HG LEU 115 11.198 6.687 0.924 847 HD11 LEU 115 1HD1 LEU 115 10.229 5.134 -1.368 848 HD12 LEU 115 2HD1 LEU 115 9.068 6.283 -0.704 849 HD13 LEU 115 3HD1 LEU 115 9.781 5.050 0.336 850 HD21 LEU 115 1HD2 LEU 115 12.349 6.159 -1.814 851 HD22 LEU 115 2HD2 LEU 115 12.600 5.155 -0.385 852 HD23 LEU 115 3HD2 LEU 115 13.216 6.808 -0.422 853 H PHE 116 H PHE 116 9.745 10.317 1.233 854 HA PHE 116 HA PHE 116 8.743 12.133 -0.602 855 HB2 PHE 116 1HB PHE 116 7.423 11.762 1.304 856 HB3 PHE 116 2HB PHE 116 8.758 12.088 2.404 857 HD1 PHE 116 2HD PHE 116 6.410 13.671 0.025 858 HD2 PHE 116 1HD PHE 116 9.136 14.243 3.244 859 HE1 PHE 116 2HE PHE 116 5.643 15.998 0.257 860 HE2 PHE 116 1HE PHE 116 8.373 16.570 3.481 861 HZ PHE 116 HZ PHE 116 6.626 17.451 1.985 862 H SER 117 H SER 117 11.531 12.376 1.482 863 HA SER 117 HA SER 117 11.898 15.202 0.942 864 HB2 SER 117 1HB SER 117 13.593 15.163 2.543 865 HB3 SER 117 2HB SER 117 12.505 13.903 3.127 866 HG SER 117 HG SER 117 13.944 12.415 2.644 867 H ASP 118 H ASP 118 12.089 12.889 -1.099 868 HA ASP 118 HA ASP 118 14.682 13.712 -2.236 869 HB2 ASP 118 1HB ASP 118 13.380 11.032 -2.068 870 HB3 ASP 118 2HB ASP 118 14.344 11.399 -3.496 871 H ASN 119 H ASN 119 11.293 13.080 -2.784 872 HA ASN 119 HA ASN 119 11.574 14.120 -5.527 873 HB2 ASN 119 1HB ASN 119 9.620 12.154 -4.344 874 HB3 ASN 119 2HB ASN 119 9.287 12.992 -5.857 875 HD21 ASN 119 1HD2 ASN 119 10.609 10.283 -4.493 876 HD22 ASN 119 2HD2 ASN 119 11.561 9.737 -5.828 877 H ALA 120 H ALA 120 9.258 13.993 -2.818 878 HA ALA 120 HA ALA 120 7.512 15.961 -3.598 879 HB1 ALA 120 1HB ALA 120 8.105 16.147 -0.760 880 HB2 ALA 120 2HB ALA 120 6.622 15.651 -1.578 881 HB3 ALA 120 3HB ALA 120 7.913 14.481 -1.307 882 HA PRO 121 HA PRO 121 9.562 19.839 -3.491 883 HB2 PRO 121 1HB PRO 121 7.616 21.471 -2.531 884 HB3 PRO 121 2HB PRO 121 7.578 20.785 -4.160 885 HG2 PRO 121 1HG PRO 121 6.158 19.874 -1.687 886 HG3 PRO 121 2HG PRO 121 5.543 20.008 -3.345 887 HD2 PRO 121 1HD PRO 121 6.321 17.649 -2.266 888 HD3 PRO 121 2HD PRO 121 6.499 18.013 -3.995 889 HA PRO 122 HA PRO 122 11.188 20.860 0.465 890 HB2 PRO 122 1HB PRO 122 11.414 23.563 0.367 891 HB3 PRO 122 2HB PRO 122 12.459 22.478 -0.558 892 HG2 PRO 122 1HG PRO 122 10.040 23.998 -1.452 893 HG3 PRO 122 2HG PRO 122 11.590 23.773 -2.283 894 HD2 PRO 122 1HD PRO 122 9.382 22.335 -2.906 895 HD3 PRO 122 2HD PRO 122 11.023 21.671 -3.040 896 HA PRO 123 HA PRO 123 8.037 21.945 3.337 897 HB2 PRO 123 1HB PRO 123 9.507 22.951 5.385 898 HB3 PRO 123 2HB PRO 123 9.460 21.228 4.992 899 HG2 PRO 123 1HG PRO 123 11.525 23.277 4.285 900 HG3 PRO 123 2HG PRO 123 11.749 21.613 4.855 901 HD2 PRO 123 1HD PRO 123 11.971 22.302 2.246 902 HD3 PRO 123 2HD PRO 123 11.373 20.714 2.767 903 H GLU 124 H GLU 124 7.624 23.890 5.026 904 HA GLU 124 HA GLU 124 6.646 26.027 3.715 905 HB2 GLU 124 1HB GLU 124 6.722 25.412 6.289 906 HB3 GLU 124 2HB GLU 124 8.002 26.616 6.308 907 HG2 GLU 124 1HG GLU 124 5.907 27.640 6.893 908 HG3 GLU 124 2HG GLU 124 6.456 28.255 5.336 909 H LEU 125 H LEU 125 7.312 28.034 3.015 910 HA LEU 125 HA LEU 125 10.107 28.793 3.294 911 HB2 LEU 125 1HB LEU 125 10.513 29.008 0.948 912 HB3 LEU 125 2HB LEU 125 9.993 27.357 1.283 913 HG LEU 125 HG LEU 125 8.002 29.378 0.336 914 HD11 LEU 125 1HD1 LEU 125 8.663 29.343 -1.821 915 HD12 LEU 125 2HD1 LEU 125 9.332 27.716 -1.708 916 HD13 LEU 125 3HD1 LEU 125 10.251 29.092 -1.097 917 HD21 LEU 125 1HD2 LEU 125 7.197 27.204 -0.796 918 HD22 LEU 125 2HD2 LEU 125 6.971 27.386 0.944 919 HD23 LEU 125 3HD2 LEU 125 8.294 26.397 0.325 920 H LEU 126 H LEU 126 10.478 30.966 2.146 921 HA LEU 126 HA LEU 126 9.102 32.977 3.266 922 HB2 LEU 126 1HB LEU 126 10.252 32.918 0.484 923 HB3 LEU 126 2HB LEU 126 9.716 34.391 1.290 924 HG LEU 126 HG LEU 126 11.827 32.634 2.501 925 HD11 LEU 126 1HD1 LEU 126 13.080 33.054 0.688 926 HD12 LEU 126 2HD1 LEU 126 13.233 34.665 1.387 927 HD13 LEU 126 3HD1 LEU 126 12.030 34.358 0.134 928 HD21 LEU 126 1HD2 LEU 126 10.470 34.861 3.402 929 HD22 LEU 126 2HD2 LEU 126 11.995 35.519 2.809 930 HD23 LEU 126 3HD2 LEU 126 11.999 34.247 4.031 931 H GLU 127 H GLU 127 6.958 33.157 3.437 932 HA GLU 127 HA GLU 127 5.405 33.566 1.019 933 HB2 GLU 127 1HB GLU 127 3.670 31.961 1.622 934 HB3 GLU 127 2HB GLU 127 5.212 31.148 1.395 935 HG2 GLU 127 1HG GLU 127 4.520 30.132 3.302 936 HG3 GLU 127 2HG GLU 127 5.394 31.495 3.998 937 H SER 128 H SER 128 3.263 34.459 1.466 938 HA SER 128 HA SER 128 3.305 36.051 3.930 939 HB2 SER 128 1HB SER 128 1.649 37.497 2.734 940 HB3 SER 128 2HB SER 128 3.207 37.385 1.916 941 HG SER 128 HG SER 128 0.721 36.351 1.178 942 H GLY 129 H GLY 129 1.906 35.657 5.514 943 HA2 GLY 129 1HA GLY 129 0.044 33.512 5.346 944 HA3 GLY 129 2HA GLY 129 0.219 34.628 6.693 945 HA PRO 130 HA PRO 130 -3.307 35.839 3.553 946 HB2 PRO 130 1HB PRO 130 -5.087 33.790 3.555 947 HB3 PRO 130 2HB PRO 130 -3.793 33.936 2.361 948 HG2 PRO 130 1HG PRO 130 -3.905 32.257 4.836 949 HG3 PRO 130 2HG PRO 130 -3.316 31.828 3.219 950 HD2 PRO 130 1HD PRO 130 -1.650 32.495 5.247 951 HD3 PRO 130 2HD PRO 130 -1.282 32.861 3.549 952 H SER 131 H SER 131 -5.850 35.689 4.128 953 HA SER 131 HA SER 131 -5.983 36.354 6.977 954 HB2 SER 131 1HB SER 131 -8.092 37.509 6.393 955 HB3 SER 131 2HB SER 131 -6.733 38.095 5.434 956 HG SER 131 HG SER 131 -8.229 35.988 4.392 957 H SER 132 H SER 132 -7.797 35.665 8.254 958 HA SER 132 HA SER 132 -8.769 33.014 7.439 959 HB2 SER 132 1HB SER 132 -9.181 32.662 9.877 960 HB3 SER 132 2HB SER 132 -7.487 32.969 9.496 961 HG SER 132 HG SER 132 -8.769 35.285 9.970 962 H GLY 133 H GLY 133 -10.061 35.232 6.353 963 HA2 GLY 133 1HA GLY 133 -12.529 35.084 6.072 964 HA3 GLY 133 2HA GLY 133 -12.626 35.206 7.823 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -14.506 11.599 -4.576 2 HA2 GLY 1 1HA GLY 1 -14.121 9.096 -5.923 3 HA3 GLY 1 2HA GLY 1 -12.665 9.640 -5.102 4 H SER 2 H SER 2 -12.417 8.669 -3.215 5 HA SER 2 HA SER 2 -12.842 7.760 -1.173 6 HB2 SER 2 1HB SER 2 -13.786 9.956 -0.646 7 HB3 SER 2 2HB SER 2 -15.336 9.470 -1.332 8 HG SER 2 HG SER 2 -15.651 8.086 0.334 9 H SER 3 H SER 3 -13.502 6.206 -3.366 10 HA SER 3 HA SER 3 -16.114 5.029 -2.867 11 HB2 SER 3 1HB SER 3 -15.622 3.620 -4.815 12 HB3 SER 3 2HB SER 3 -15.347 5.321 -5.191 13 HG SER 3 HG SER 3 -13.059 4.657 -4.424 14 H GLY 4 H GLY 4 -15.805 4.170 -0.780 15 HA2 GLY 4 1HA GLY 4 -15.474 1.635 -0.286 16 HA3 GLY 4 2HA GLY 4 -13.784 2.058 -0.513 17 H SER 5 H SER 5 -14.942 0.976 1.862 18 HA SER 5 HA SER 5 -14.930 3.238 3.724 19 HB2 SER 5 1HB SER 5 -16.777 1.651 3.967 20 HB3 SER 5 2HB SER 5 -15.632 0.326 4.173 21 HG SER 5 HG SER 5 -15.361 0.889 6.181 22 H SER 6 H SER 6 -12.482 2.695 2.552 23 HA SER 6 HA SER 6 -10.969 1.280 4.638 24 HB2 SER 6 1HB SER 6 -9.102 1.305 2.965 25 HB3 SER 6 2HB SER 6 -10.527 0.416 2.428 26 HG SER 6 HG SER 6 -9.344 2.284 1.114 27 H GLY 7 H GLY 7 -10.767 4.209 2.610 28 HA2 GLY 7 1HA GLY 7 -10.508 6.320 3.936 29 HA3 GLY 7 2HA GLY 7 -9.232 5.472 4.797 30 H ASP 8 H ASP 8 -7.229 5.855 4.139 31 HA ASP 8 HA ASP 8 -6.786 7.341 1.698 32 HB2 ASP 8 1HB ASP 8 -5.610 7.754 3.933 33 HB3 ASP 8 2HB ASP 8 -4.659 6.316 3.573 34 H VAL 9 H VAL 9 -6.471 4.080 2.824 35 HA VAL 9 HA VAL 9 -4.570 3.085 1.031 36 HB VAL 9 HB VAL 9 -6.972 1.643 2.165 37 HG11 VAL 9 1HG1 VAL 9 -5.885 0.541 0.212 38 HG12 VAL 9 2HG1 VAL 9 -4.385 0.486 1.139 39 HG13 VAL 9 3HG1 VAL 9 -5.804 -0.397 1.703 40 HG21 VAL 9 1HG2 VAL 9 -5.762 2.424 4.010 41 HG22 VAL 9 2HG2 VAL 9 -5.174 0.778 3.772 42 HG23 VAL 9 3HG2 VAL 9 -4.208 2.148 3.223 43 H ILE 10 H ILE 10 -4.593 3.000 -1.107 44 HA ILE 10 HA ILE 10 -7.169 3.101 -2.510 45 HB ILE 10 HB ILE 10 -4.387 3.623 -3.565 46 HG12 ILE 10 1HG1 ILE 10 -6.623 5.606 -3.141 47 HG13 ILE 10 2HG1 ILE 10 -5.383 5.299 -1.929 48 HG21 ILE 10 1HG2 ILE 10 -7.095 3.703 -4.861 49 HG22 ILE 10 2HG2 ILE 10 -5.719 4.597 -5.505 50 HG23 ILE 10 3HG2 ILE 10 -5.649 2.839 -5.384 51 HD11 ILE 10 1HD1 ILE 10 -3.684 5.917 -3.668 52 HD12 ILE 10 2HD1 ILE 10 -5.027 6.451 -4.678 53 HD13 ILE 10 3HD1 ILE 10 -4.730 7.227 -3.123 54 H GLU 11 H GLU 11 -7.873 1.467 -3.753 55 HA GLU 11 HA GLU 11 -6.291 -0.981 -3.793 56 HB2 GLU 11 1HB GLU 11 -8.821 -0.763 -3.188 57 HB3 GLU 11 2HB GLU 11 -9.055 -0.738 -4.930 58 HG2 GLU 11 1HG GLU 11 -8.166 -2.905 -5.183 59 HG3 GLU 11 2HG GLU 11 -7.526 -2.914 -3.540 60 H LEU 12 H LEU 12 -5.289 -1.755 -5.540 61 HA LEU 12 HA LEU 12 -5.763 -0.395 -8.110 62 HB2 LEU 12 1HB LEU 12 -3.281 -1.889 -7.297 63 HB3 LEU 12 2HB LEU 12 -3.498 -0.848 -8.702 64 HG LEU 12 HG LEU 12 -3.502 0.100 -5.837 65 HD11 LEU 12 1HD1 LEU 12 -1.340 -0.368 -7.773 66 HD12 LEU 12 2HD1 LEU 12 -1.293 -0.272 -6.013 67 HD13 LEU 12 3HD1 LEU 12 -1.317 1.205 -6.976 68 HD21 LEU 12 1HD2 LEU 12 -2.939 2.081 -7.836 69 HD22 LEU 12 2HD2 LEU 12 -4.204 2.059 -6.608 70 HD23 LEU 12 3HD2 LEU 12 -4.482 1.297 -8.175 71 H THR 13 H THR 13 -4.902 -1.906 -9.985 72 HA THR 13 HA THR 13 -5.901 -4.638 -9.554 73 HB THR 13 HB THR 13 -6.510 -3.255 -12.137 74 HG1 THR 13 1HG THR 13 -7.750 -1.906 -11.076 75 HG21 THR 13 1HG2 THR 13 -7.176 -5.409 -12.393 76 HG22 THR 13 2HG2 THR 13 -8.622 -4.819 -11.573 77 HG23 THR 13 3HG2 THR 13 -7.374 -5.667 -10.661 78 H ASP 14 H ASP 14 -5.408 -6.008 -11.594 79 HA ASP 14 HA ASP 14 -2.644 -6.192 -11.893 80 HB2 ASP 14 1HB ASP 14 -3.292 -7.626 -13.956 81 HB3 ASP 14 2HB ASP 14 -3.809 -8.160 -12.358 82 H ASP 15 H ASP 15 -4.953 -5.280 -14.457 83 HA ASP 15 HA ASP 15 -2.816 -4.019 -15.958 84 HB2 ASP 15 1HB ASP 15 -5.767 -4.313 -16.562 85 HB3 ASP 15 2HB ASP 15 -4.573 -3.638 -17.668 86 H SER 16 H SER 16 -3.801 -2.922 -13.353 87 HA SER 16 HA SER 16 -4.428 -0.210 -14.319 88 HB2 SER 16 1HB SER 16 -5.453 -1.468 -11.762 89 HB3 SER 16 2HB SER 16 -5.806 0.161 -12.337 90 HG SER 16 HG SER 16 -7.217 -0.622 -13.702 91 H PHE 17 H PHE 17 -2.702 -2.247 -12.079 92 HA PHE 17 HA PHE 17 -1.666 -0.441 -10.282 93 HB2 PHE 17 1HB PHE 17 -1.130 -2.680 -9.871 94 HB3 PHE 17 2HB PHE 17 -0.538 -2.938 -11.509 95 HD1 PHE 17 2HD PHE 17 1.565 -1.481 -12.151 96 HD2 PHE 17 1HD PHE 17 0.398 -2.459 -8.176 97 HE1 PHE 17 2HE PHE 17 3.868 -1.084 -11.381 98 HE2 PHE 17 1HE PHE 17 2.699 -2.062 -7.399 99 HZ PHE 17 HZ PHE 17 4.438 -1.375 -9.003 100 H ASP 18 H ASP 18 -1.002 -0.734 -13.651 101 HA ASP 18 HA ASP 18 1.376 0.958 -13.463 102 HB2 ASP 18 1HB ASP 18 0.115 -0.434 -15.836 103 HB3 ASP 18 2HB ASP 18 1.593 0.522 -15.898 104 H LYS 19 H LYS 19 -1.975 1.151 -14.107 105 HA LYS 19 HA LYS 19 -1.757 3.651 -15.586 106 HB2 LYS 19 1HB LYS 19 -3.957 3.374 -16.178 107 HB3 LYS 19 2HB LYS 19 -3.503 1.696 -15.913 108 HG2 LYS 19 1HG LYS 19 -4.520 1.700 -13.743 109 HG3 LYS 19 2HG LYS 19 -4.833 3.434 -13.847 110 HD2 LYS 19 1HD LYS 19 -5.942 1.552 -15.898 111 HD3 LYS 19 2HD LYS 19 -6.758 1.779 -14.349 112 HE2 LYS 19 1HE LYS 19 -7.166 4.048 -14.772 113 HE3 LYS 19 2HE LYS 19 -5.973 4.110 -16.069 114 HZ1 LYS 19 1HZ LYS 19 -7.390 2.808 -17.458 115 HZ2 LYS 19 2HZ LYS 19 -8.303 4.095 -16.851 116 HZ3 LYS 19 3HZ LYS 19 -8.491 2.544 -16.201 117 H ASN 20 H ASN 20 -1.894 2.640 -12.381 118 HA ASN 20 HA ASN 20 -3.062 5.185 -11.486 119 HB2 ASN 20 1HB ASN 20 -2.974 3.907 -9.200 120 HB3 ASN 20 2HB ASN 20 -4.242 3.534 -10.363 121 HD21 ASN 20 1HD2 ASN 20 -4.634 1.450 -10.347 122 HD22 ASN 20 2HD2 ASN 20 -3.453 0.190 -10.292 123 H VAL 21 H VAL 21 -0.210 3.157 -11.327 124 HA VAL 21 HA VAL 21 1.142 4.982 -9.509 125 HB VAL 21 HB VAL 21 2.062 2.428 -10.831 126 HG11 VAL 21 1HG1 VAL 21 3.639 4.536 -9.817 127 HG12 VAL 21 2HG1 VAL 21 3.714 3.221 -8.642 128 HG13 VAL 21 3HG1 VAL 21 4.163 2.931 -10.324 129 HG21 VAL 21 1HG2 VAL 21 2.138 1.803 -8.298 130 HG22 VAL 21 2HG2 VAL 21 1.000 3.141 -8.131 131 HG23 VAL 21 3HG2 VAL 21 0.604 1.771 -9.168 132 H LEU 22 H LEU 22 2.072 3.530 -12.633 133 HA LEU 22 HA LEU 22 4.072 5.335 -13.272 134 HB2 LEU 22 1HB LEU 22 2.262 4.096 -15.324 135 HB3 LEU 22 2HB LEU 22 3.965 4.519 -15.485 136 HG LEU 22 HG LEU 22 2.845 2.265 -13.819 137 HD11 LEU 22 1HD1 LEU 22 2.915 2.149 -16.416 138 HD12 LEU 22 2HD1 LEU 22 3.524 0.798 -15.460 139 HD13 LEU 22 3HD1 LEU 22 4.651 1.950 -16.176 140 HD21 LEU 22 1HD2 LEU 22 4.971 1.783 -13.093 141 HD22 LEU 22 2HD2 LEU 22 5.011 3.546 -13.102 142 HD23 LEU 22 3HD2 LEU 22 5.740 2.640 -14.428 143 H ASP 23 H ASP 23 0.629 5.455 -14.137 144 HA ASP 23 HA ASP 23 0.650 7.736 -15.711 145 HB2 ASP 23 1HB ASP 23 -1.643 7.705 -15.553 146 HB3 ASP 23 2HB ASP 23 -1.285 6.071 -15.001 147 H SER 24 H SER 24 1.360 7.448 -12.413 148 HA SER 24 HA SER 24 1.085 10.362 -12.062 149 HB2 SER 24 1HB SER 24 -0.385 8.734 -10.628 150 HB3 SER 24 2HB SER 24 1.106 8.486 -9.720 151 HG SER 24 HG SER 24 1.131 10.916 -9.684 152 H GLU 25 H GLU 25 2.828 11.474 -11.336 153 HA GLU 25 HA GLU 25 5.355 10.037 -11.264 154 HB2 GLU 25 1HB GLU 25 6.363 12.304 -11.246 155 HB3 GLU 25 2HB GLU 25 5.282 12.043 -12.608 156 HG2 GLU 25 1HG GLU 25 3.713 13.510 -11.827 157 HG3 GLU 25 2HG GLU 25 4.188 13.294 -10.143 158 H ASP 26 H ASP 26 3.424 9.790 -9.058 159 HA ASP 26 HA ASP 26 5.019 10.959 -6.874 160 HB2 ASP 26 1HB ASP 26 2.105 10.179 -6.995 161 HB3 ASP 26 2HB ASP 26 2.937 10.532 -5.483 162 H VAL 27 H VAL 27 5.286 9.648 -4.944 163 HA VAL 27 HA VAL 27 6.100 6.993 -5.575 164 HB VAL 27 HB VAL 27 5.840 8.300 -2.863 165 HG11 VAL 27 1HG1 VAL 27 5.966 5.778 -2.941 166 HG12 VAL 27 2HG1 VAL 27 7.580 5.968 -3.629 167 HG13 VAL 27 3HG1 VAL 27 7.231 6.584 -2.014 168 HG21 VAL 27 1HG2 VAL 27 8.175 8.122 -4.763 169 HG22 VAL 27 2HG2 VAL 27 7.322 9.583 -4.266 170 HG23 VAL 27 3HG2 VAL 27 8.280 8.680 -3.093 171 H TRP 28 H TRP 28 4.927 5.199 -5.570 172 HA TRP 28 HA TRP 28 2.391 5.186 -4.068 173 HB2 TRP 28 1HB TRP 28 3.159 4.041 -6.725 174 HB3 TRP 28 2HB TRP 28 1.897 3.252 -5.782 175 HD1 TRP 28 HD TRP 28 2.645 6.555 -7.597 176 HE1 TRP 28 1HE TRP 28 0.414 7.754 -8.056 177 HE3 TRP 28 3HE TRP 28 -0.489 3.454 -5.010 178 HZ2 TRP 28 2HZ TRP 28 -2.314 7.428 -7.407 179 HZ3 TRP 28 3HZ TRP 28 -2.896 3.968 -4.979 180 HH2 TRP 28 HH TRP 28 -3.787 5.914 -6.153 181 H MET 29 H MET 29 2.602 4.063 -2.248 182 HA MET 29 HA MET 29 4.534 1.922 -2.022 183 HB2 MET 29 1HB MET 29 2.759 3.406 -0.142 184 HB3 MET 29 2HB MET 29 3.318 1.809 0.335 185 HG2 MET 29 1HG MET 29 5.660 2.648 -0.192 186 HG3 MET 29 2HG MET 29 4.945 4.258 -0.241 187 HE1 MET 29 1HE MET 29 7.270 2.728 2.023 188 HE2 MET 29 2HE MET 29 6.348 1.981 3.328 189 HE3 MET 29 3HE MET 29 6.211 1.359 1.683 190 H VAL 30 H VAL 30 3.905 0.145 -3.142 191 HA VAL 30 HA VAL 30 1.168 -0.821 -2.940 192 HB VAL 30 HB VAL 30 3.518 -1.959 -4.462 193 HG11 VAL 30 1HG1 VAL 30 1.649 -3.148 -5.711 194 HG12 VAL 30 2HG1 VAL 30 2.022 -3.738 -4.091 195 HG13 VAL 30 3HG1 VAL 30 0.611 -2.713 -4.354 196 HG21 VAL 30 1HG2 VAL 30 1.801 0.270 -4.990 197 HG22 VAL 30 2HG2 VAL 30 3.145 -0.350 -5.949 198 HG23 VAL 30 3HG2 VAL 30 1.520 -0.990 -6.191 199 H GLU 31 H GLU 31 0.530 -2.279 -1.501 200 HA GLU 31 HA GLU 31 2.559 -4.034 -0.282 201 HB2 GLU 31 1HB GLU 31 1.999 -2.537 1.442 202 HB3 GLU 31 2HB GLU 31 0.298 -2.524 0.998 203 HG2 GLU 31 1HG GLU 31 1.578 -5.043 1.961 204 HG3 GLU 31 2HG GLU 31 1.063 -3.808 3.108 205 H PHE 32 H PHE 32 2.185 -6.137 -0.495 206 HA PHE 32 HA PHE 32 -0.425 -6.997 -1.499 207 HB2 PHE 32 1HB PHE 32 2.174 -8.538 -1.344 208 HB3 PHE 32 2HB PHE 32 0.702 -9.062 -2.155 209 HD1 PHE 32 2HD PHE 32 3.273 -6.381 -2.184 210 HD2 PHE 32 1HD PHE 32 0.354 -8.555 -4.392 211 HE1 PHE 32 2HE PHE 32 4.034 -5.293 -4.256 212 HE2 PHE 32 1HE PHE 32 1.111 -7.471 -6.467 213 HZ PHE 32 HZ PHE 32 2.952 -5.836 -6.400 214 H TYR 33 H TYR 33 -1.848 -7.905 -0.182 215 HA TYR 33 HA TYR 33 -0.865 -9.325 2.202 216 HB2 TYR 33 1HB TYR 33 -2.618 -8.410 3.542 217 HB3 TYR 33 2HB TYR 33 -1.842 -7.059 2.722 218 HD1 TYR 33 1HD TYR 33 -4.758 -9.363 2.434 219 HD2 TYR 33 2HD TYR 33 -3.134 -5.537 1.525 220 HE1 TYR 33 1HE TYR 33 -6.942 -8.651 1.555 221 HE2 TYR 33 2HE TYR 33 -5.313 -4.814 0.644 222 HH TYR 33 HH TYR 33 -8.129 -6.296 1.260 223 H ALA 34 H ALA 34 -2.649 -10.739 3.160 224 HA ALA 34 HA ALA 34 -4.197 -11.988 0.984 225 HB1 ALA 34 1HB ALA 34 -3.839 -14.139 2.356 226 HB2 ALA 34 2HB ALA 34 -2.508 -13.538 1.367 227 HB3 ALA 34 3HB ALA 34 -2.509 -13.257 3.108 228 HA PRO 35 HA PRO 35 -7.664 -11.210 3.625 229 HB2 PRO 35 1HB PRO 35 -9.472 -12.704 2.258 230 HB3 PRO 35 2HB PRO 35 -8.908 -11.127 1.695 231 HG2 PRO 35 1HG PRO 35 -8.030 -13.864 0.857 232 HG3 PRO 35 2HG PRO 35 -8.355 -12.437 -0.145 233 HD2 PRO 35 1HD PRO 35 -5.847 -13.198 0.536 234 HD3 PRO 35 2HD PRO 35 -6.299 -11.497 0.305 235 H TRP 36 H TRP 36 -6.142 -14.212 3.139 236 HA TRP 36 HA TRP 36 -7.743 -15.421 5.299 237 HB2 TRP 36 1HB TRP 36 -6.748 -17.617 4.265 238 HB3 TRP 36 2HB TRP 36 -8.156 -16.855 3.531 239 HD1 TRP 36 HD TRP 36 -7.991 -16.524 1.001 240 HE1 TRP 36 1HE TRP 36 -6.088 -16.429 -0.728 241 HE3 TRP 36 3HE TRP 36 -3.995 -16.826 4.175 242 HZ2 TRP 36 2HZ TRP 36 -3.266 -16.476 -0.745 243 HZ3 TRP 36 3HZ TRP 36 -1.727 -16.795 3.221 244 HH2 TRP 36 HH TRP 36 -1.372 -16.624 0.812 245 H CYS 37 H CYS 37 -5.201 -13.729 5.221 246 HA CYS 37 HA CYS 37 -3.481 -15.602 6.708 247 HB2 CYS 37 1HB CYS 37 -2.544 -14.614 4.566 248 HB3 CYS 37 2HB CYS 37 -2.568 -13.052 5.375 249 HG CYS 37 HG CYS 37 -0.815 -13.907 7.434 250 H GLY 38 H GLY 38 -2.695 -15.001 8.701 251 HA2 GLY 38 1HA GLY 38 -4.254 -13.129 10.173 252 HA3 GLY 38 2HA GLY 38 -2.846 -13.998 10.766 253 H HIS 39 H HIS 39 -0.757 -13.154 9.456 254 HA HIS 39 HA HIS 39 0.119 -10.867 10.505 255 HB2 HIS 39 1HB HIS 39 0.641 -11.856 7.699 256 HB3 HIS 39 2HB HIS 39 1.548 -10.543 8.443 257 HD1 HIS 39 1HD HIS 39 3.274 -11.163 10.236 258 HD2 HIS 39 2HD HIS 39 1.196 -14.424 8.717 259 HE1 HIS 39 1HE HIS 39 4.515 -13.192 11.055 260 HE2 HIS 39 2HE HIS 39 3.288 -15.150 10.053 261 H CYS 40 H CYS 40 -1.692 -11.006 7.447 262 HA CYS 40 HA CYS 40 -1.707 -8.260 6.916 263 HB2 CYS 40 1HB CYS 40 -2.372 -9.598 5.124 264 HB3 CYS 40 2HB CYS 40 -3.482 -10.540 6.112 265 HG CYS 40 HG CYS 40 -4.127 -7.251 5.523 266 H LYS 41 H LYS 41 -4.265 -10.242 8.415 267 HA LYS 41 HA LYS 41 -6.148 -8.395 8.998 268 HB2 LYS 41 1HB LYS 41 -5.137 -10.566 10.842 269 HB3 LYS 41 2HB LYS 41 -6.649 -9.696 11.068 270 HG2 LYS 41 1HG LYS 41 -6.176 -11.054 8.467 271 HG3 LYS 41 2HG LYS 41 -6.572 -12.039 9.878 272 HD2 LYS 41 1HD LYS 41 -8.681 -11.143 10.078 273 HD3 LYS 41 2HD LYS 41 -8.230 -9.631 9.286 274 HE2 LYS 41 1HE LYS 41 -7.954 -11.028 7.168 275 HE3 LYS 41 2HE LYS 41 -8.808 -12.302 8.036 276 HZ1 LYS 41 1HZ LYS 41 -10.295 -10.948 6.671 277 HZ2 LYS 41 2HZ LYS 41 -9.864 -9.569 7.551 278 HZ3 LYS 41 3HZ LYS 41 -10.686 -10.836 8.314 279 H ASN 42 H ASN 42 -3.033 -8.730 10.564 280 HA ASN 42 HA ASN 42 -3.660 -6.742 12.578 281 HB2 ASN 42 1HB ASN 42 -0.948 -7.927 11.982 282 HB3 ASN 42 2HB ASN 42 -1.500 -7.191 13.484 283 HD21 ASN 42 1HD2 ASN 42 -0.330 -9.707 13.355 284 HD22 ASN 42 2HD2 ASN 42 -1.510 -10.891 13.793 285 H LEU 43 H LEU 43 -2.009 -6.949 9.512 286 HA LEU 43 HA LEU 43 -0.752 -4.369 9.748 287 HB2 LEU 43 1HB LEU 43 0.301 -6.099 8.427 288 HB3 LEU 43 2HB LEU 43 -1.123 -6.216 7.395 289 HG LEU 43 HG LEU 43 -0.655 -3.813 6.722 290 HD11 LEU 43 1HD1 LEU 43 0.822 -3.198 8.535 291 HD12 LEU 43 2HD1 LEU 43 1.674 -3.068 6.997 292 HD13 LEU 43 3HD1 LEU 43 1.974 -4.445 8.056 293 HD21 LEU 43 1HD2 LEU 43 1.420 -4.625 5.332 294 HD22 LEU 43 2HD2 LEU 43 -0.183 -5.303 5.046 295 HD23 LEU 43 3HD2 LEU 43 0.991 -6.193 6.015 296 H GLU 44 H GLU 44 -3.849 -5.480 8.966 297 HA GLU 44 HA GLU 44 -4.726 -3.769 6.976 298 HB2 GLU 44 1HB GLU 44 -6.371 -5.256 7.495 299 HB3 GLU 44 2HB GLU 44 -6.008 -5.222 9.215 300 HG2 GLU 44 1HG GLU 44 -7.121 -3.046 9.396 301 HG3 GLU 44 2HG GLU 44 -7.511 -3.115 7.679 302 HA PRO 45 HA PRO 45 -5.898 -0.491 10.322 303 HB2 PRO 45 1HB PRO 45 -4.992 -0.902 12.848 304 HB3 PRO 45 2HB PRO 45 -6.545 -1.518 12.273 305 HG2 PRO 45 1HG PRO 45 -3.927 -2.943 12.547 306 HG3 PRO 45 2HG PRO 45 -5.555 -3.503 12.970 307 HD2 PRO 45 1HD PRO 45 -4.305 -4.250 10.687 308 HD3 PRO 45 2HD PRO 45 -6.067 -4.058 10.792 309 H GLU 46 H GLU 46 -2.777 -2.088 10.571 310 HA GLU 46 HA GLU 46 -1.315 0.204 11.409 311 HB2 GLU 46 1HB GLU 46 -0.354 -2.298 10.010 312 HB3 GLU 46 2HB GLU 46 0.678 -1.107 10.789 313 HG2 GLU 46 1HG GLU 46 -1.417 -2.750 12.190 314 HG3 GLU 46 2HG GLU 46 0.307 -3.115 12.160 315 H TRP 47 H TRP 47 -2.073 -1.218 8.276 316 HA TRP 47 HA TRP 47 -0.418 0.611 6.807 317 HB2 TRP 47 1HB TRP 47 -1.085 -1.724 6.058 318 HB3 TRP 47 2HB TRP 47 -2.677 -1.060 5.704 319 HD1 TRP 47 HD TRP 47 -2.985 0.115 3.417 320 HE1 TRP 47 1HE TRP 47 -1.425 0.681 1.449 321 HE3 TRP 47 3HE TRP 47 1.502 -1.018 5.588 322 HZ2 TRP 47 2HZ TRP 47 1.342 0.650 0.891 323 HZ3 TRP 47 3HZ TRP 47 3.558 -0.723 4.269 324 HH2 TRP 47 HH TRP 47 3.478 0.094 1.969 325 H ALA 48 H ALA 48 -3.876 0.324 7.506 326 HA ALA 48 HA ALA 48 -4.805 2.404 5.894 327 HB1 ALA 48 1HB ALA 48 -5.853 0.729 7.958 328 HB2 ALA 48 2HB ALA 48 -6.374 2.391 8.234 329 HB3 ALA 48 3HB ALA 48 -6.714 1.606 6.692 330 H ALA 49 H ALA 49 -3.770 2.472 9.298 331 HA ALA 49 HA ALA 49 -4.205 5.234 9.682 332 HB1 ALA 49 1HB ALA 49 -3.800 3.326 11.405 333 HB2 ALA 49 2HB ALA 49 -2.101 3.752 11.198 334 HB3 ALA 49 3HB ALA 49 -3.251 4.963 11.765 335 H ALA 50 H ALA 50 -1.175 3.437 9.113 336 HA ALA 50 HA ALA 50 0.633 5.472 9.036 337 HB1 ALA 50 1HB ALA 50 1.911 3.733 8.523 338 HB2 ALA 50 2HB ALA 50 0.503 2.797 8.019 339 HB3 ALA 50 3HB ALA 50 1.330 3.838 6.861 340 H ALA 51 H ALA 51 -1.412 4.407 6.328 341 HA ALA 51 HA ALA 51 -0.511 6.027 4.315 342 HB1 ALA 51 1HB ALA 51 -2.279 4.334 4.062 343 HB2 ALA 51 2HB ALA 51 -3.407 5.411 4.886 344 HB3 ALA 51 3HB ALA 51 -2.718 5.878 3.331 345 H SER 52 H SER 52 -2.780 6.889 6.897 346 HA SER 52 HA SER 52 -3.272 9.522 5.949 347 HB2 SER 52 1HB SER 52 -3.830 8.022 8.470 348 HB3 SER 52 2HB SER 52 -3.945 9.782 8.506 349 HG SER 52 HG SER 52 -5.311 9.451 6.537 350 H GLU 53 H GLU 53 -1.118 8.196 8.438 351 HA GLU 53 HA GLU 53 -0.058 10.681 9.268 352 HB2 GLU 53 1HB GLU 53 0.182 8.808 10.725 353 HB3 GLU 53 2HB GLU 53 0.981 7.859 9.480 354 HG2 GLU 53 1HG GLU 53 2.711 8.497 10.883 355 HG3 GLU 53 2HG GLU 53 2.807 9.649 9.552 356 H VAL 54 H VAL 54 0.595 8.629 6.568 357 HA VAL 54 HA VAL 54 3.174 9.813 5.992 358 HB VAL 54 HB VAL 54 1.474 7.919 4.364 359 HG11 VAL 54 1HG1 VAL 54 3.251 7.685 2.854 360 HG12 VAL 54 2HG1 VAL 54 3.116 9.426 3.113 361 HG13 VAL 54 3HG1 VAL 54 4.385 8.507 3.925 362 HG21 VAL 54 1HG2 VAL 54 4.006 6.942 5.403 363 HG22 VAL 54 2HG2 VAL 54 2.892 7.429 6.680 364 HG23 VAL 54 3HG2 VAL 54 2.397 6.226 5.489 365 H LYS 55 H LYS 55 -0.129 9.989 4.756 366 HA LYS 55 HA LYS 55 0.424 11.641 2.534 367 HB2 LYS 55 1HB LYS 55 -1.659 10.722 2.324 368 HB3 LYS 55 2HB LYS 55 -1.998 10.827 4.047 369 HG2 LYS 55 1HG LYS 55 -2.218 13.326 3.713 370 HG3 LYS 55 2HG LYS 55 -2.205 12.994 1.979 371 HD2 LYS 55 1HD LYS 55 -4.450 12.908 2.315 372 HD3 LYS 55 2HD LYS 55 -4.069 11.234 2.724 373 HE2 LYS 55 1HE LYS 55 -4.064 11.749 5.068 374 HE3 LYS 55 2HE LYS 55 -4.225 13.473 4.737 375 HZ1 LYS 55 1HZ LYS 55 -6.353 12.699 5.327 376 HZ2 LYS 55 2HZ LYS 55 -6.246 11.349 4.314 377 HZ3 LYS 55 3HZ LYS 55 -6.396 12.897 3.647 378 H GLU 56 H GLU 56 -0.298 12.330 5.907 379 HA GLU 56 HA GLU 56 -0.591 15.150 5.539 380 HB2 GLU 56 1HB GLU 56 -0.928 15.276 7.827 381 HB3 GLU 56 2HB GLU 56 -1.439 13.630 7.479 382 HG2 GLU 56 1HG GLU 56 0.605 12.738 8.310 383 HG3 GLU 56 2HG GLU 56 1.317 14.344 8.442 384 H GLN 57 H GLN 57 2.064 12.995 6.308 385 HA GLN 57 HA GLN 57 3.886 15.127 6.959 386 HB2 GLN 57 1HB GLN 57 4.175 12.157 6.595 387 HB3 GLN 57 2HB GLN 57 5.586 13.191 6.774 388 HG2 GLN 57 1HG GLN 57 4.597 14.015 8.920 389 HG3 GLN 57 2HG GLN 57 3.363 12.766 8.751 390 HE21 GLN 57 1HE2 GLN 57 4.516 10.562 8.086 391 HE22 GLN 57 2HE2 GLN 57 5.781 10.099 9.167 392 H THR 58 H THR 58 3.153 13.135 4.159 393 HA THR 58 HA THR 58 5.293 14.413 2.626 394 HB THR 58 HB THR 58 4.906 12.774 0.917 395 HG1 THR 58 1HG THR 58 2.818 11.571 2.377 396 HG21 THR 58 1HG2 THR 58 6.171 12.056 2.938 397 HG22 THR 58 2HG2 THR 58 5.375 10.725 2.098 398 HG23 THR 58 3HG2 THR 58 4.678 11.374 3.582 399 H LYS 59 H LYS 59 2.236 15.162 3.431 400 HA LYS 59 HA LYS 59 0.662 16.579 2.601 401 HB2 LYS 59 1HB LYS 59 2.999 17.250 0.828 402 HB3 LYS 59 2HB LYS 59 1.441 18.041 0.626 403 HG2 LYS 59 1HG LYS 59 2.434 19.535 2.012 404 HG3 LYS 59 2HG LYS 59 1.728 18.461 3.222 405 HD2 LYS 59 1HD LYS 59 3.761 17.516 3.762 406 HD3 LYS 59 2HD LYS 59 4.475 17.901 2.195 407 HE2 LYS 59 1HE LYS 59 4.891 20.104 2.783 408 HE3 LYS 59 2HE LYS 59 3.678 20.097 4.062 409 HZ1 LYS 59 1HZ LYS 59 5.204 19.498 5.531 410 HZ2 LYS 59 2HZ LYS 59 6.391 19.703 4.344 411 HZ3 LYS 59 3HZ LYS 59 5.697 18.180 4.591 412 H GLY 60 H GLY 60 0.857 13.820 1.625 413 HA2 GLY 60 1HA GLY 60 -0.641 12.651 0.254 414 HA3 GLY 60 2HA GLY 60 -0.932 14.130 -0.651 415 H LYS 61 H LYS 61 2.270 14.107 -0.503 416 HA LYS 61 HA LYS 61 2.696 13.467 -3.177 417 HB2 LYS 61 1HB LYS 61 4.343 14.797 -2.176 418 HB3 LYS 61 2HB LYS 61 4.525 13.707 -0.807 419 HG2 LYS 61 1HG LYS 61 6.452 13.642 -2.315 420 HG3 LYS 61 2HG LYS 61 5.638 12.079 -2.206 421 HD2 LYS 61 1HD LYS 61 5.921 12.235 -4.475 422 HD3 LYS 61 2HD LYS 61 4.335 12.991 -4.307 423 HE2 LYS 61 1HE LYS 61 6.873 14.595 -4.244 424 HE3 LYS 61 2HE LYS 61 6.077 14.178 -5.760 425 HZ1 LYS 61 1HZ LYS 61 5.069 15.877 -3.563 426 HZ2 LYS 61 2HZ LYS 61 4.016 15.194 -4.697 427 HZ3 LYS 61 3HZ LYS 61 5.230 16.258 -5.203 428 H VAL 62 H VAL 62 3.622 11.534 -0.322 429 HA VAL 62 HA VAL 62 3.963 9.193 -2.031 430 HB VAL 62 HB VAL 62 4.426 9.371 0.945 431 HG11 VAL 62 1HG1 VAL 62 6.149 7.564 -0.424 432 HG12 VAL 62 2HG1 VAL 62 4.926 7.213 0.800 433 HG13 VAL 62 3HG1 VAL 62 4.486 7.232 -0.908 434 HG21 VAL 62 1HG2 VAL 62 5.772 11.060 -0.210 435 HG22 VAL 62 2HG2 VAL 62 6.779 9.767 0.442 436 HG23 VAL 62 3HG2 VAL 62 6.413 9.814 -1.282 437 H LYS 63 H LYS 63 2.033 8.312 -2.531 438 HA LYS 63 HA LYS 63 -0.038 8.055 -0.504 439 HB2 LYS 63 1HB LYS 63 -0.006 7.248 -3.419 440 HB3 LYS 63 2HB LYS 63 -1.404 7.145 -2.356 441 HG2 LYS 63 1HG LYS 63 -1.700 9.429 -2.301 442 HG3 LYS 63 2HG LYS 63 -0.020 9.762 -2.726 443 HD2 LYS 63 1HD LYS 63 -1.013 10.240 -4.725 444 HD3 LYS 63 2HD LYS 63 -0.722 8.514 -4.955 445 HE2 LYS 63 1HE LYS 63 -2.945 8.826 -5.616 446 HE3 LYS 63 2HE LYS 63 -3.060 8.174 -3.982 447 HZ1 LYS 63 1HZ LYS 63 -2.922 11.010 -3.941 448 HZ2 LYS 63 2HZ LYS 63 -4.110 9.989 -3.305 449 HZ3 LYS 63 3HZ LYS 63 -4.204 10.493 -4.916 450 H LEU 64 H LEU 64 -1.090 5.988 -0.105 451 HA LEU 64 HA LEU 64 0.760 3.710 -0.376 452 HB2 LEU 64 1HB LEU 64 -0.750 4.741 1.962 453 HB3 LEU 64 2HB LEU 64 -0.587 2.993 1.799 454 HG LEU 64 HG LEU 64 1.915 3.375 1.669 455 HD11 LEU 64 1HD1 LEU 64 1.406 5.996 2.998 456 HD12 LEU 64 2HD1 LEU 64 1.462 5.908 1.238 457 HD13 LEU 64 3HD1 LEU 64 2.858 5.405 2.191 458 HD21 LEU 64 1HD2 LEU 64 0.128 3.490 3.963 459 HD22 LEU 64 2HD2 LEU 64 1.710 4.199 4.286 460 HD23 LEU 64 3HD2 LEU 64 1.589 2.536 3.711 461 H ALA 65 H ALA 65 -0.034 2.032 -1.449 462 HA ALA 65 HA ALA 65 -2.957 1.673 -1.543 463 HB1 ALA 65 1HB ALA 65 -2.635 0.798 -3.869 464 HB2 ALA 65 2HB ALA 65 -2.333 2.525 -3.676 465 HB3 ALA 65 3HB ALA 65 -0.979 1.402 -3.797 466 H ALA 66 H ALA 66 -3.680 -0.518 -1.887 467 HA ALA 66 HA ALA 66 -1.700 -2.534 -1.042 468 HB1 ALA 66 1HB ALA 66 -3.333 -1.925 0.737 469 HB2 ALA 66 2HB ALA 66 -4.622 -2.528 -0.305 470 HB3 ALA 66 3HB ALA 66 -3.373 -3.628 0.278 471 H VAL 67 H VAL 67 -2.136 -4.729 -1.737 472 HA VAL 67 HA VAL 67 -3.978 -5.016 -3.990 473 HB VAL 67 HB VAL 67 -1.062 -5.778 -4.190 474 HG11 VAL 67 1HG1 VAL 67 -3.340 -5.973 -6.156 475 HG12 VAL 67 2HG1 VAL 67 -1.642 -6.240 -6.559 476 HG13 VAL 67 3HG1 VAL 67 -2.458 -7.308 -5.415 477 HG21 VAL 67 1HG2 VAL 67 -1.316 -3.369 -4.312 478 HG22 VAL 67 2HG2 VAL 67 -0.929 -4.017 -5.906 479 HG23 VAL 67 3HG2 VAL 67 -2.584 -3.541 -5.525 480 H ASP 68 H ASP 68 -4.771 -7.066 -4.269 481 HA ASP 68 HA ASP 68 -4.178 -8.949 -2.116 482 HB2 ASP 68 1HB ASP 68 -6.367 -9.125 -4.193 483 HB3 ASP 68 2HB ASP 68 -6.249 -10.033 -2.688 484 H ALA 69 H ALA 69 -2.364 -10.058 -2.653 485 HA ALA 69 HA ALA 69 -1.539 -10.849 -5.181 486 HB1 ALA 69 1HB ALA 69 -0.939 -12.668 -2.919 487 HB2 ALA 69 2HB ALA 69 0.136 -11.972 -4.133 488 HB3 ALA 69 3HB ALA 69 -0.417 -10.989 -2.776 489 H THR 70 H THR 70 -4.176 -11.974 -3.382 490 HA THR 70 HA THR 70 -4.239 -14.661 -4.378 491 HB THR 70 HB THR 70 -6.619 -14.626 -3.531 492 HG1 THR 70 1HG THR 70 -6.568 -12.158 -3.736 493 HG21 THR 70 1HG2 THR 70 -5.897 -14.338 -1.103 494 HG22 THR 70 2HG2 THR 70 -4.306 -13.922 -1.741 495 HG23 THR 70 3HG2 THR 70 -4.998 -15.511 -2.065 496 H VAL 71 H VAL 71 -5.333 -11.572 -5.501 497 HA VAL 71 HA VAL 71 -6.796 -12.876 -7.701 498 HB VAL 71 HB VAL 71 -7.064 -10.047 -6.671 499 HG11 VAL 71 1HG1 VAL 71 -8.266 -9.520 -8.479 500 HG12 VAL 71 2HG1 VAL 71 -7.551 -10.951 -9.224 501 HG13 VAL 71 3HG1 VAL 71 -9.135 -11.054 -8.454 502 HG21 VAL 71 1HG2 VAL 71 -8.017 -11.739 -5.169 503 HG22 VAL 71 2HG2 VAL 71 -9.268 -10.739 -5.907 504 HG23 VAL 71 3HG2 VAL 71 -8.979 -12.373 -6.504 505 H ASN 72 H ASN 72 -4.385 -10.443 -6.885 506 HA ASN 72 HA ASN 72 -3.899 -9.756 -9.647 507 HB2 ASN 72 1HB ASN 72 -2.750 -8.913 -7.011 508 HB3 ASN 72 2HB ASN 72 -1.868 -8.558 -8.494 509 HD21 ASN 72 1HD2 ASN 72 -5.044 -8.217 -6.984 510 HD22 ASN 72 2HD2 ASN 72 -5.434 -6.710 -7.734 511 H GLN 73 H GLN 73 -2.929 -11.218 -10.898 512 HA GLN 73 HA GLN 73 -0.714 -12.792 -9.771 513 HB2 GLN 73 1HB GLN 73 -2.418 -13.314 -12.213 514 HB3 GLN 73 2HB GLN 73 -1.087 -14.330 -11.676 515 HG2 GLN 73 1HG GLN 73 -3.305 -13.748 -9.781 516 HG3 GLN 73 2HG GLN 73 -3.566 -14.914 -11.077 517 HE21 GLN 73 1HE2 GLN 73 -2.679 -14.612 -7.952 518 HE22 GLN 73 2HE2 GLN 73 -1.738 -16.049 -7.766 519 H VAL 74 H VAL 74 -1.661 -10.714 -12.448 520 HA VAL 74 HA VAL 74 0.604 -10.942 -14.051 521 HB VAL 74 HB VAL 74 -1.054 -8.456 -13.601 522 HG11 VAL 74 1HG1 VAL 74 1.245 -8.986 -15.241 523 HG12 VAL 74 2HG1 VAL 74 -0.154 -8.610 -16.249 524 HG13 VAL 74 3HG1 VAL 74 0.367 -7.476 -15.001 525 HG21 VAL 74 1HG2 VAL 74 -2.599 -9.221 -15.108 526 HG22 VAL 74 2HG2 VAL 74 -1.450 -10.288 -15.914 527 HG23 VAL 74 3HG2 VAL 74 -2.128 -10.742 -14.351 528 H LEU 75 H LEU 75 -0.004 -8.862 -11.256 529 HA LEU 75 HA LEU 75 2.583 -7.595 -11.457 530 HB2 LEU 75 1HB LEU 75 0.702 -7.478 -9.117 531 HB3 LEU 75 2HB LEU 75 1.944 -6.314 -9.574 532 HG LEU 75 HG LEU 75 -0.556 -6.830 -11.179 533 HD11 LEU 75 1HD1 LEU 75 -1.426 -4.776 -10.243 534 HD12 LEU 75 2HD1 LEU 75 0.016 -4.590 -9.245 535 HD13 LEU 75 3HD1 LEU 75 -1.091 -5.932 -8.954 536 HD21 LEU 75 1HD2 LEU 75 0.034 -4.794 -12.329 537 HD22 LEU 75 2HD2 LEU 75 1.387 -5.922 -12.410 538 HD23 LEU 75 3HD2 LEU 75 1.434 -4.567 -11.281 539 H ALA 76 H ALA 76 0.991 -9.745 -9.102 540 HA ALA 76 HA ALA 76 3.030 -10.148 -7.325 541 HB1 ALA 76 1HB ALA 76 2.066 -12.481 -7.047 542 HB2 ALA 76 2HB ALA 76 0.948 -11.131 -6.842 543 HB3 ALA 76 3HB ALA 76 0.946 -12.058 -8.342 544 H SER 77 H SER 77 2.557 -11.782 -10.435 545 HA SER 77 HA SER 77 4.834 -13.481 -10.146 546 HB2 SER 77 1HB SER 77 2.750 -13.787 -11.668 547 HB3 SER 77 2HB SER 77 3.620 -12.752 -12.800 548 HG SER 77 HG SER 77 4.103 -14.910 -13.222 549 H ARG 78 H ARG 78 4.218 -10.385 -11.722 550 HA ARG 78 HA ARG 78 6.508 -10.066 -13.213 551 HB2 ARG 78 1HB ARG 78 4.582 -8.475 -13.104 552 HB3 ARG 78 2HB ARG 78 5.201 -7.900 -11.561 553 HG2 ARG 78 1HG ARG 78 7.335 -7.316 -12.764 554 HG3 ARG 78 2HG ARG 78 6.477 -7.650 -14.269 555 HD2 ARG 78 1HD ARG 78 5.077 -5.835 -14.031 556 HD3 ARG 78 2HD ARG 78 5.262 -5.792 -12.278 557 HE ARG 78 HE ARG 78 7.104 -4.451 -12.533 558 HH11 ARG 78 2HH1 ARG 78 6.270 -5.867 -15.602 559 HH12 ARG 78 1HH1 ARG 78 7.384 -4.892 -16.503 560 HH21 ARG 78 2HH2 ARG 78 8.575 -3.161 -13.707 561 HH22 ARG 78 1HH2 ARG 78 8.695 -3.354 -15.424 562 H TYR 79 H TYR 79 6.057 -9.255 -9.778 563 HA TYR 79 HA TYR 79 8.956 -8.897 -9.520 564 HB2 TYR 79 1HB TYR 79 6.978 -8.337 -7.331 565 HB3 TYR 79 2HB TYR 79 8.559 -7.613 -7.606 566 HD1 TYR 79 1HD TYR 79 8.845 -5.868 -9.315 567 HD2 TYR 79 2HD TYR 79 5.014 -7.491 -8.427 568 HE1 TYR 79 1HE TYR 79 7.782 -3.971 -10.465 569 HE2 TYR 79 2HE TYR 79 3.940 -5.600 -9.575 570 HH TYR 79 HH TYR 79 4.378 -3.904 -11.136 571 H GLY 80 H GLY 80 6.405 -11.064 -8.765 572 HA2 GLY 80 1HA GLY 80 6.597 -13.237 -7.961 573 HA3 GLY 80 2HA GLY 80 8.284 -12.918 -7.583 574 H ILE 81 H ILE 81 4.993 -12.107 -6.510 575 HA ILE 81 HA ILE 81 6.029 -11.793 -3.778 576 HB ILE 81 HB ILE 81 3.276 -11.040 -4.747 577 HG12 ILE 81 1HG1 ILE 81 5.314 -9.886 -5.893 578 HG13 ILE 81 2HG1 ILE 81 3.995 -8.893 -5.284 579 HG21 ILE 81 1HG2 ILE 81 2.967 -10.816 -2.547 580 HG22 ILE 81 2HG2 ILE 81 4.693 -10.935 -2.207 581 HG23 ILE 81 3HG2 ILE 81 3.992 -9.386 -2.673 582 HD11 ILE 81 1HD1 ILE 81 6.466 -8.242 -4.808 583 HD12 ILE 81 2HD1 ILE 81 5.246 -8.068 -3.546 584 HD13 ILE 81 3HD1 ILE 81 6.338 -9.452 -3.532 585 H ARG 82 H ARG 82 5.887 -13.540 -2.546 586 HA ARG 82 HA ARG 82 3.455 -15.186 -2.715 587 HB2 ARG 82 1HB ARG 82 6.297 -16.185 -2.464 588 HB3 ARG 82 2HB ARG 82 4.867 -17.191 -2.275 589 HG2 ARG 82 1HG ARG 82 5.275 -15.620 -4.782 590 HG3 ARG 82 2HG ARG 82 6.114 -17.153 -4.539 591 HD2 ARG 82 1HD ARG 82 4.048 -18.328 -4.309 592 HD3 ARG 82 2HD ARG 82 3.133 -16.822 -4.265 593 HE ARG 82 HE ARG 82 4.331 -16.701 -6.669 594 HH11 ARG 82 2HH1 ARG 82 2.484 -19.193 -5.088 595 HH12 ARG 82 1HH1 ARG 82 1.857 -19.847 -6.565 596 HH21 ARG 82 2HH2 ARG 82 3.513 -17.553 -8.620 597 HH22 ARG 82 1HH2 ARG 82 2.444 -18.914 -8.573 598 H GLY 83 H GLY 83 6.062 -13.871 -0.794 599 HA2 GLY 83 1HA GLY 83 4.886 -14.973 1.657 600 HA3 GLY 83 2HA GLY 83 6.460 -14.202 1.526 601 H PHE 84 H PHE 84 3.064 -13.731 2.000 602 HA PHE 84 HA PHE 84 3.358 -10.829 2.098 603 HB2 PHE 84 1HB PHE 84 0.790 -12.151 2.816 604 HB3 PHE 84 2HB PHE 84 1.078 -10.683 1.886 605 HD1 PHE 84 2HD PHE 84 2.837 -11.566 -0.238 606 HD2 PHE 84 1HD PHE 84 -0.505 -13.537 1.511 607 HE1 PHE 84 2HE PHE 84 2.489 -12.821 -2.326 608 HE2 PHE 84 1HE PHE 84 -0.859 -14.795 -0.574 609 HZ PHE 84 HZ PHE 84 0.639 -14.437 -2.496 610 HA PRO 85 HA PRO 85 1.813 -9.264 3.049 611 HB2 PRO 85 1HB PRO 85 2.784 -7.134 4.424 612 HB3 PRO 85 2HB PRO 85 1.273 -7.945 4.851 613 HG2 PRO 85 1HG PRO 85 3.996 -8.252 6.058 614 HG3 PRO 85 2HG PRO 85 2.421 -8.137 6.865 615 HD2 PRO 85 1HD PRO 85 3.691 -10.497 6.477 616 HD3 PRO 85 2HD PRO 85 1.921 -10.354 6.480 617 H THR 86 H THR 86 2.853 -7.697 1.677 618 HA THR 86 HA THR 86 5.782 -7.773 1.632 619 HB THR 86 HB THR 86 4.091 -8.314 -0.817 620 HG1 THR 86 1HG THR 86 5.546 -10.362 -0.491 621 HG21 THR 86 1HG2 THR 86 6.997 -7.841 -0.355 622 HG22 THR 86 2HG2 THR 86 5.970 -7.328 -1.694 623 HG23 THR 86 3HG2 THR 86 6.519 -9.001 -1.593 624 H ILE 87 H ILE 87 6.283 -5.688 1.873 625 HA ILE 87 HA ILE 87 4.673 -3.653 0.514 626 HB ILE 87 HB ILE 87 6.811 -3.347 2.626 627 HG12 ILE 87 1HG1 ILE 87 3.943 -2.635 3.041 628 HG13 ILE 87 2HG1 ILE 87 4.390 -4.337 3.086 629 HG21 ILE 87 1HG2 ILE 87 5.913 -1.471 0.769 630 HG22 ILE 87 2HG2 ILE 87 5.074 -1.078 2.268 631 HG23 ILE 87 3HG2 ILE 87 6.835 -1.159 2.239 632 HD11 ILE 87 1HD1 ILE 87 6.269 -3.303 4.711 633 HD12 ILE 87 2HD1 ILE 87 4.936 -2.186 5.004 634 HD13 ILE 87 3HD1 ILE 87 4.711 -3.916 5.262 635 H LYS 88 H LYS 88 5.355 -2.736 -1.299 636 HA LYS 88 HA LYS 88 8.240 -2.660 -1.860 637 HB2 LYS 88 1HB LYS 88 6.054 -3.435 -3.798 638 HB3 LYS 88 2HB LYS 88 7.725 -3.129 -4.252 639 HG2 LYS 88 1HG LYS 88 7.218 -5.140 -2.132 640 HG3 LYS 88 2HG LYS 88 6.813 -5.567 -3.796 641 HD2 LYS 88 1HD LYS 88 9.232 -4.569 -4.239 642 HD3 LYS 88 2HD LYS 88 9.460 -5.038 -2.553 643 HE2 LYS 88 1HE LYS 88 9.173 -7.283 -3.002 644 HE3 LYS 88 2HE LYS 88 8.244 -6.978 -4.468 645 HZ1 LYS 88 1HZ LYS 88 10.941 -5.991 -4.594 646 HZ2 LYS 88 2HZ LYS 88 10.084 -6.938 -5.703 647 HZ3 LYS 88 3HZ LYS 88 10.858 -7.668 -4.387 648 H ILE 89 H ILE 89 8.976 -0.735 -2.521 649 HA ILE 89 HA ILE 89 7.015 1.396 -2.954 650 HB ILE 89 HB ILE 89 9.977 1.528 -2.381 651 HG12 ILE 89 1HG1 ILE 89 8.966 2.763 -0.312 652 HG13 ILE 89 2HG1 ILE 89 7.489 1.909 -0.745 653 HG21 ILE 89 1HG2 ILE 89 9.786 3.474 -3.522 654 HG22 ILE 89 2HG2 ILE 89 8.043 3.573 -3.280 655 HG23 ILE 89 3HG2 ILE 89 9.141 4.039 -1.981 656 HD11 ILE 89 1HD1 ILE 89 9.749 0.968 0.704 657 HD12 ILE 89 2HD1 ILE 89 8.223 0.150 0.366 658 HD13 ILE 89 3HD1 ILE 89 9.568 0.011 -0.767 659 H PHE 90 H PHE 90 6.799 2.458 -4.840 660 HA PHE 90 HA PHE 90 8.633 1.723 -7.027 661 HB2 PHE 90 1HB PHE 90 5.657 2.212 -7.061 662 HB3 PHE 90 2HB PHE 90 6.631 2.222 -8.528 663 HD1 PHE 90 1HD PHE 90 5.504 0.130 -5.704 664 HD2 PHE 90 2HD PHE 90 7.319 0.213 -9.553 665 HE1 PHE 90 1HE PHE 90 5.291 -2.317 -5.853 666 HE2 PHE 90 2HE PHE 90 7.108 -2.233 -9.709 667 HZ PHE 90 HZ PHE 90 6.092 -3.501 -7.858 668 H GLN 91 H GLN 91 9.667 3.328 -8.030 669 HA GLN 91 HA GLN 91 8.737 6.083 -7.552 670 HB2 GLN 91 1HB GLN 91 11.457 4.871 -7.452 671 HB3 GLN 91 2HB GLN 91 11.312 6.520 -8.047 672 HG2 GLN 91 1HG GLN 91 10.159 7.141 -5.961 673 HG3 GLN 91 2HG GLN 91 10.402 5.500 -5.366 674 HE21 GLN 91 1HE2 GLN 91 11.926 5.504 -3.886 675 HE22 GLN 91 2HE2 GLN 91 13.425 6.358 -3.967 676 H LYS 92 H LYS 92 8.612 7.461 -9.260 677 HA LYS 92 HA LYS 92 8.367 6.387 -11.853 678 HB2 LYS 92 1HB LYS 92 7.277 8.495 -10.864 679 HB3 LYS 92 2HB LYS 92 8.781 9.312 -11.269 680 HG2 LYS 92 1HG LYS 92 7.312 9.731 -13.055 681 HG3 LYS 92 2HG LYS 92 8.437 8.501 -13.636 682 HD2 LYS 92 1HD LYS 92 6.559 6.878 -12.702 683 HD3 LYS 92 2HD LYS 92 5.541 8.288 -13.001 684 HE2 LYS 92 1HE LYS 92 7.429 7.416 -15.130 685 HE3 LYS 92 2HE LYS 92 5.965 6.470 -14.866 686 HZ1 LYS 92 1HZ LYS 92 4.661 8.100 -15.669 687 HZ2 LYS 92 2HZ LYS 92 6.072 8.586 -16.465 688 HZ3 LYS 92 3HZ LYS 92 5.607 9.348 -15.028 689 H GLY 93 H GLY 93 10.008 5.659 -13.039 690 HA2 GLY 93 1HA GLY 93 11.841 6.190 -14.491 691 HA3 GLY 93 2HA GLY 93 12.379 7.380 -13.315 692 H GLU 94 H GLU 94 12.494 6.028 -10.991 693 HA GLU 94 HA GLU 94 14.764 4.289 -11.440 694 HB2 GLU 94 1HB GLU 94 13.476 5.326 -8.912 695 HB3 GLU 94 2HB GLU 94 14.898 4.293 -8.935 696 HG2 GLU 94 1HG GLU 94 15.835 6.160 -10.520 697 HG3 GLU 94 2HG GLU 94 14.610 7.144 -9.722 698 H SER 95 H SER 95 14.961 2.226 -10.248 699 HA SER 95 HA SER 95 12.682 0.569 -10.787 700 HB2 SER 95 1HB SER 95 14.118 -1.286 -10.132 701 HB3 SER 95 2HB SER 95 15.014 -0.191 -11.185 702 HG SER 95 HG SER 95 15.667 0.776 -9.017 703 HA PRO 96 HA PRO 96 10.781 0.473 -6.831 704 HB2 PRO 96 1HB PRO 96 9.824 -2.067 -6.784 705 HB3 PRO 96 2HB PRO 96 9.127 -0.796 -7.796 706 HG2 PRO 96 1HG PRO 96 11.046 -2.970 -8.539 707 HG3 PRO 96 2HG PRO 96 9.626 -2.382 -9.422 708 HD2 PRO 96 1HD PRO 96 12.150 -1.641 -10.064 709 HD3 PRO 96 2HD PRO 96 10.755 -0.564 -10.280 710 H VAL 97 H VAL 97 11.391 0.125 -4.772 711 HA VAL 97 HA VAL 97 13.632 -1.707 -4.304 712 HB VAL 97 HB VAL 97 13.832 -0.493 -2.111 713 HG11 VAL 97 1HG1 VAL 97 14.447 1.762 -3.422 714 HG12 VAL 97 2HG1 VAL 97 15.430 0.299 -3.507 715 HG13 VAL 97 3HG1 VAL 97 14.279 0.666 -4.792 716 HG21 VAL 97 1HG2 VAL 97 11.839 1.385 -3.378 717 HG22 VAL 97 2HG2 VAL 97 11.516 0.326 -2.006 718 HG23 VAL 97 3HG2 VAL 97 12.687 1.635 -1.851 719 H ASP 98 H ASP 98 13.662 -2.987 -2.336 720 HA ASP 98 HA ASP 98 11.002 -4.057 -1.740 721 HB2 ASP 98 1HB ASP 98 13.774 -5.180 -1.304 722 HB3 ASP 98 2HB ASP 98 12.302 -5.968 -0.742 723 H TYR 99 H TYR 99 10.022 -3.322 0.015 724 HA TYR 99 HA TYR 99 11.471 -1.999 2.117 725 HB2 TYR 99 1HB TYR 99 9.282 -1.166 1.450 726 HB3 TYR 99 2HB TYR 99 8.541 -2.709 1.861 727 HD1 TYR 99 2HD TYR 99 8.595 -3.451 4.296 728 HD2 TYR 99 1HD TYR 99 9.526 0.516 3.069 729 HE1 TYR 99 2HE TYR 99 8.196 -2.654 6.588 730 HE2 TYR 99 1HE TYR 99 9.130 1.323 5.358 731 HH TYR 99 HH TYR 99 7.813 -0.765 7.841 732 H ASP 100 H ASP 100 12.500 -3.075 3.655 733 HA ASP 100 HA ASP 100 11.243 -5.500 4.757 734 HB2 ASP 100 1HB ASP 100 14.227 -5.101 4.536 735 HB3 ASP 100 2HB ASP 100 13.363 -6.575 4.962 736 H GLY 101 H GLY 101 10.329 -4.298 6.453 737 HA2 GLY 101 1HA GLY 101 12.195 -3.766 8.623 738 HA3 GLY 101 2HA GLY 101 11.252 -2.390 8.071 739 H GLY 102 H GLY 102 10.447 -2.375 10.295 740 HA2 GLY 102 1HA GLY 102 8.961 -4.483 11.413 741 HA3 GLY 102 2HA GLY 102 8.816 -2.788 11.855 742 H ARG 103 H ARG 103 6.671 -4.650 11.746 743 HA ARG 103 HA ARG 103 5.167 -3.799 9.374 744 HB2 ARG 103 1HB ARG 103 5.359 -6.258 10.043 745 HB3 ARG 103 2HB ARG 103 4.302 -5.863 11.392 746 HG2 ARG 103 1HG ARG 103 2.563 -5.156 9.850 747 HG3 ARG 103 2HG ARG 103 3.626 -5.489 8.481 748 HD2 ARG 103 1HD ARG 103 2.179 -7.355 8.686 749 HD3 ARG 103 2HD ARG 103 3.751 -7.865 9.298 750 HE ARG 103 HE ARG 103 1.306 -7.546 10.813 751 HH11 ARG 103 2HH1 ARG 103 4.769 -7.885 10.899 752 HH12 ARG 103 1HH1 ARG 103 4.803 -8.454 12.535 753 HH21 ARG 103 2HH2 ARG 103 1.337 -8.294 12.967 754 HH22 ARG 103 1HH2 ARG 103 2.851 -8.687 13.710 755 H THR 104 H THR 104 5.542 -1.784 11.155 756 HA THR 104 HA THR 104 2.854 -1.464 12.310 757 HB THR 104 HB THR 104 3.862 -0.115 14.148 758 HG1 THR 104 1HG THR 104 5.902 0.375 13.926 759 HG21 THR 104 1HG2 THR 104 3.271 -2.564 14.351 760 HG22 THR 104 2HG2 THR 104 4.466 -1.973 15.506 761 HG23 THR 104 3HG2 THR 104 4.981 -2.913 14.106 762 H ARG 105 H ARG 105 1.876 0.466 11.952 763 HA ARG 105 HA ARG 105 2.397 2.040 9.826 764 HB2 ARG 105 1HB ARG 105 0.943 3.677 10.723 765 HB3 ARG 105 2HB ARG 105 0.397 2.142 11.384 766 HG2 ARG 105 1HG ARG 105 1.925 2.768 13.393 767 HG3 ARG 105 2HG ARG 105 1.779 4.404 12.748 768 HD2 ARG 105 1HD ARG 105 -0.692 4.147 12.813 769 HD3 ARG 105 2HD ARG 105 -0.469 2.582 13.595 770 HE ARG 105 HE ARG 105 0.923 4.316 15.166 771 HH11 ARG 105 2HH1 ARG 105 -2.351 4.167 13.993 772 HH12 ARG 105 1HH1 ARG 105 -3.020 4.976 15.372 773 HH21 ARG 105 2HH2 ARG 105 0.055 5.381 16.987 774 HH22 ARG 105 1HH2 ARG 105 -1.650 5.667 17.073 775 H SER 106 H SER 106 3.782 2.429 13.050 776 HA SER 106 HA SER 106 5.011 4.878 12.820 777 HB2 SER 106 1HB SER 106 4.989 3.423 14.862 778 HB3 SER 106 2HB SER 106 6.259 2.448 14.123 779 HG SER 106 HG SER 106 6.625 4.534 15.587 780 H ASP 107 H ASP 107 6.598 1.754 12.138 781 HA ASP 107 HA ASP 107 8.871 2.894 10.924 782 HB2 ASP 107 1HB ASP 107 7.697 0.123 10.615 783 HB3 ASP 107 2HB ASP 107 9.304 0.602 10.078 784 H ILE 108 H ILE 108 6.073 1.253 9.440 785 HA ILE 108 HA ILE 108 6.639 1.489 6.799 786 HB ILE 108 HB ILE 108 3.953 2.012 8.077 787 HG12 ILE 108 1HG1 ILE 108 4.748 -0.544 6.740 788 HG13 ILE 108 2HG1 ILE 108 5.306 -0.232 8.380 789 HG21 ILE 108 1HG2 ILE 108 3.754 0.852 5.487 790 HG22 ILE 108 2HG2 ILE 108 3.132 2.401 6.055 791 HG23 ILE 108 3HG2 ILE 108 4.757 2.298 5.380 792 HD11 ILE 108 1HD1 ILE 108 2.648 -0.945 7.395 793 HD12 ILE 108 2HD1 ILE 108 3.391 -1.212 8.972 794 HD13 ILE 108 3HD1 ILE 108 2.664 0.350 8.593 795 H VAL 109 H VAL 109 5.307 4.042 8.866 796 HA VAL 109 HA VAL 109 5.078 5.967 6.781 797 HB VAL 109 HB VAL 109 5.171 6.308 9.779 798 HG11 VAL 109 1HG1 VAL 109 5.906 8.328 8.467 799 HG12 VAL 109 2HG1 VAL 109 4.289 8.360 7.761 800 HG13 VAL 109 3HG1 VAL 109 4.498 8.566 9.501 801 HG21 VAL 109 1HG2 VAL 109 3.046 5.671 9.740 802 HG22 VAL 109 2HG2 VAL 109 2.668 6.974 8.613 803 HG23 VAL 109 3HG2 VAL 109 3.156 5.394 8.002 804 H SER 110 H SER 110 7.450 5.490 9.391 805 HA SER 110 HA SER 110 9.119 7.601 9.044 806 HB2 SER 110 1HB SER 110 9.317 5.499 10.591 807 HB3 SER 110 2HB SER 110 10.343 4.873 9.301 808 HG SER 110 HG SER 110 10.879 7.463 10.112 809 H ARG 111 H ARG 111 9.172 4.603 7.138 810 HA ARG 111 HA ARG 111 11.345 5.267 5.496 811 HB2 ARG 111 1HB ARG 111 10.086 3.018 5.781 812 HB3 ARG 111 2HB ARG 111 9.024 3.629 4.520 813 HG2 ARG 111 1HG ARG 111 10.708 2.219 3.545 814 HG3 ARG 111 2HG ARG 111 10.977 3.889 3.040 815 HD2 ARG 111 1HD ARG 111 13.060 2.703 3.668 816 HD3 ARG 111 2HD ARG 111 12.753 4.142 4.639 817 HE ARG 111 HE ARG 111 11.704 1.832 5.903 818 HH11 ARG 111 2HH1 ARG 111 14.691 3.491 5.233 819 HH12 ARG 111 1HH1 ARG 111 15.505 2.860 6.626 820 HH21 ARG 111 2HH2 ARG 111 12.766 0.994 7.740 821 HH22 ARG 111 1HH2 ARG 111 14.410 1.439 8.050 822 H ALA 112 H ALA 112 7.874 5.402 4.671 823 HA ALA 112 HA ALA 112 7.895 6.551 2.242 824 HB1 ALA 112 1HB ALA 112 5.844 6.018 3.448 825 HB2 ALA 112 2HB ALA 112 6.097 7.406 4.508 826 HB3 ALA 112 3HB ALA 112 5.785 7.653 2.790 827 H LEU 113 H LEU 113 8.684 8.166 5.257 828 HA LEU 113 HA LEU 113 8.728 10.807 4.214 829 HB2 LEU 113 1HB LEU 113 10.160 9.658 6.605 830 HB3 LEU 113 2HB LEU 113 9.949 11.373 6.260 831 HG LEU 113 HG LEU 113 7.683 9.456 6.797 832 HD11 LEU 113 1HD1 LEU 113 8.882 9.576 8.819 833 HD12 LEU 113 2HD1 LEU 113 7.569 10.742 8.978 834 HD13 LEU 113 3HD1 LEU 113 9.204 11.299 8.620 835 HD21 LEU 113 1HD2 LEU 113 6.260 11.201 6.562 836 HD22 LEU 113 2HD2 LEU 113 7.527 11.779 5.480 837 HD23 LEU 113 3HD2 LEU 113 7.437 12.384 7.135 838 H ASP 114 H ASP 114 11.350 8.523 4.998 839 HA ASP 114 HA ASP 114 13.533 9.970 4.226 840 HB2 ASP 114 1HB ASP 114 13.646 7.703 5.192 841 HB3 ASP 114 2HB ASP 114 13.077 7.031 3.666 842 H LEU 115 H LEU 115 11.228 8.310 2.150 843 HA LEU 115 HA LEU 115 12.728 8.951 -0.248 844 HB2 LEU 115 1HB LEU 115 9.954 7.800 -0.051 845 HB3 LEU 115 2HB LEU 115 11.041 7.751 -1.437 846 HG LEU 115 HG LEU 115 11.703 6.374 1.151 847 HD11 LEU 115 1HD1 LEU 115 9.501 5.748 -0.405 848 HD12 LEU 115 2HD1 LEU 115 10.309 4.689 0.750 849 HD13 LEU 115 3HD1 LEU 115 10.751 4.633 -0.956 850 HD21 LEU 115 1HD2 LEU 115 12.936 6.676 -1.454 851 HD22 LEU 115 2HD2 LEU 115 12.717 4.981 -1.017 852 HD23 LEU 115 3HD2 LEU 115 13.614 6.060 0.053 853 H PHE 116 H PHE 116 9.699 9.921 1.308 854 HA PHE 116 HA PHE 116 8.554 11.539 -0.548 855 HB2 PHE 116 1HB PHE 116 7.365 11.395 1.443 856 HB3 PHE 116 2HB PHE 116 8.775 11.766 2.430 857 HD1 PHE 116 2HD PHE 116 6.538 13.327 -0.107 858 HD2 PHE 116 1HD PHE 116 8.989 13.874 3.330 859 HE1 PHE 116 2HE PHE 116 5.818 15.675 0.028 860 HE2 PHE 116 1HE PHE 116 8.272 16.224 3.471 861 HZ PHE 116 HZ PHE 116 6.686 17.127 1.818 862 H SER 117 H SER 117 11.458 12.178 1.290 863 HA SER 117 HA SER 117 11.645 14.944 0.603 864 HB2 SER 117 1HB SER 117 12.781 14.183 2.583 865 HB3 SER 117 2HB SER 117 13.685 12.979 1.665 866 HG SER 117 HG SER 117 14.786 15.036 2.202 867 H ASP 118 H ASP 118 13.206 11.990 -0.601 868 HA ASP 118 HA ASP 118 14.948 13.029 -2.442 869 HB2 ASP 118 1HB ASP 118 13.348 10.510 -2.333 870 HB3 ASP 118 2HB ASP 118 14.208 10.890 -3.823 871 H ASN 119 H ASN 119 11.481 12.425 -2.879 872 HA ASN 119 HA ASN 119 11.569 13.656 -5.523 873 HB2 ASN 119 1HB ASN 119 9.253 12.393 -4.038 874 HB3 ASN 119 2HB ASN 119 9.229 12.935 -5.714 875 HD21 ASN 119 1HD2 ASN 119 10.519 10.585 -3.480 876 HD22 ASN 119 2HD2 ASN 119 10.983 9.420 -4.669 877 H ALA 120 H ALA 120 9.300 13.957 -2.790 878 HA ALA 120 HA ALA 120 8.597 16.631 -3.524 879 HB1 ALA 120 1HB ALA 120 7.825 14.741 -1.365 880 HB2 ALA 120 2HB ALA 120 7.504 16.459 -1.124 881 HB3 ALA 120 3HB ALA 120 6.818 15.620 -2.516 882 HA PRO 121 HA PRO 121 11.582 18.959 -1.297 883 HB2 PRO 121 1HB PRO 121 10.120 21.145 -0.621 884 HB3 PRO 121 2HB PRO 121 10.666 20.827 -2.272 885 HG2 PRO 121 1HG PRO 121 7.988 20.322 -1.031 886 HG3 PRO 121 2HG PRO 121 8.374 20.993 -2.627 887 HD2 PRO 121 1HD PRO 121 7.638 18.412 -2.271 888 HD3 PRO 121 2HD PRO 121 8.768 18.916 -3.544 889 HA PRO 122 HA PRO 122 11.112 18.027 2.993 890 HB2 PRO 122 1HB PRO 122 13.067 19.629 3.985 891 HB3 PRO 122 2HB PRO 122 13.405 18.130 3.110 892 HG2 PRO 122 1HG PRO 122 13.459 20.955 2.120 893 HG3 PRO 122 2HG PRO 122 14.605 19.638 1.809 894 HD2 PRO 122 1HD PRO 122 12.702 20.364 0.025 895 HD3 PRO 122 2HD PRO 122 13.271 18.690 0.187 896 HA PRO 123 HA PRO 123 8.699 21.105 5.002 897 HB2 PRO 123 1HB PRO 123 9.447 20.856 7.599 898 HB3 PRO 123 2HB PRO 123 8.463 19.649 6.763 899 HG2 PRO 123 1HG PRO 123 11.405 19.639 7.319 900 HG3 PRO 123 2HG PRO 123 10.235 18.314 7.461 901 HD2 PRO 123 1HD PRO 123 11.899 18.567 5.340 902 HD3 PRO 123 2HD PRO 123 10.271 17.871 5.200 903 H GLU 124 H GLU 124 8.769 23.072 6.370 904 HA GLU 124 HA GLU 124 11.415 24.351 6.420 905 HB2 GLU 124 1HB GLU 124 10.433 26.439 5.589 906 HB3 GLU 124 2HB GLU 124 10.262 25.139 4.418 907 HG2 GLU 124 1HG GLU 124 7.927 24.806 5.369 908 HG3 GLU 124 2HG GLU 124 8.156 26.361 6.166 909 H LEU 125 H LEU 125 11.862 24.944 8.426 910 HA LEU 125 HA LEU 125 10.165 26.574 9.984 911 HB2 LEU 125 1HB LEU 125 9.244 24.106 10.136 912 HB3 LEU 125 2HB LEU 125 10.544 23.937 11.314 913 HG LEU 125 HG LEU 125 9.447 26.068 12.376 914 HD11 LEU 125 1HD1 LEU 125 7.844 26.472 10.599 915 HD12 LEU 125 2HD1 LEU 125 7.011 26.082 12.104 916 HD13 LEU 125 3HD1 LEU 125 7.152 24.866 10.834 917 HD21 LEU 125 1HD2 LEU 125 7.640 24.014 13.105 918 HD22 LEU 125 2HD2 LEU 125 9.088 24.554 13.955 919 HD23 LEU 125 3HD2 LEU 125 9.196 23.261 12.759 920 H LEU 126 H LEU 126 11.093 27.038 12.136 921 HA LEU 126 HA LEU 126 14.010 26.649 12.096 922 HB2 LEU 126 1HB LEU 126 12.254 28.893 12.964 923 HB3 LEU 126 2HB LEU 126 13.807 28.672 13.767 924 HG LEU 126 HG LEU 126 13.954 30.336 11.996 925 HD11 LEU 126 1HD1 LEU 126 15.975 29.638 11.174 926 HD12 LEU 126 2HD1 LEU 126 15.419 27.988 10.894 927 HD13 LEU 126 3HD1 LEU 126 15.778 28.531 12.533 928 HD21 LEU 126 1HD2 LEU 126 12.271 28.575 10.606 929 HD22 LEU 126 2HD2 LEU 126 13.793 28.602 9.715 930 HD23 LEU 126 3HD2 LEU 126 12.933 30.108 10.038 931 H GLU 127 H GLU 127 15.082 25.946 13.905 932 HA GLU 127 HA GLU 127 13.905 24.158 15.614 933 HB2 GLU 127 1HB GLU 127 16.335 25.880 16.131 934 HB3 GLU 127 2HB GLU 127 15.892 24.470 17.084 935 HG2 GLU 127 1HG GLU 127 16.005 23.151 14.926 936 HG3 GLU 127 2HG GLU 127 16.774 24.570 14.218 937 H SER 128 H SER 128 12.067 24.701 16.671 938 HA SER 128 HA SER 128 12.098 27.092 18.377 939 HB2 SER 128 1HB SER 128 9.785 25.394 17.412 940 HB3 SER 128 2HB SER 128 9.630 26.788 18.480 941 HG SER 128 HG SER 128 9.698 28.003 16.781 942 H GLY 129 H GLY 129 12.891 26.610 20.333 943 HA2 GLY 129 1HA GLY 129 12.189 24.044 21.569 944 HA3 GLY 129 2HA GLY 129 13.465 25.129 22.100 945 HA PRO 130 HA PRO 130 9.204 25.827 24.262 946 HB2 PRO 130 1HB PRO 130 9.260 23.965 26.237 947 HB3 PRO 130 2HB PRO 130 8.505 23.676 24.665 948 HG2 PRO 130 1HG PRO 130 11.207 22.844 25.652 949 HG3 PRO 130 2HG PRO 130 10.021 21.913 24.719 950 HD2 PRO 130 1HD PRO 130 12.175 23.090 23.576 951 HD3 PRO 130 2HD PRO 130 10.629 22.898 22.726 952 H SER 131 H SER 131 9.194 27.271 25.898 953 HA SER 131 HA SER 131 11.485 28.364 26.948 954 HB2 SER 131 1HB SER 131 10.025 29.406 28.670 955 HB3 SER 131 2HB SER 131 9.346 29.522 27.046 956 HG SER 131 HG SER 131 8.481 28.049 29.242 957 H SER 132 H SER 132 9.443 25.839 28.355 958 HA SER 132 HA SER 132 11.682 24.915 29.948 959 HB2 SER 132 1HB SER 132 10.242 26.704 31.237 960 HB3 SER 132 2HB SER 132 9.129 25.353 31.452 961 HG SER 132 HG SER 132 11.634 24.558 31.988 962 H GLY 133 H GLY 133 11.628 22.749 30.298 963 HA2 GLY 133 1HA GLY 133 9.533 21.265 28.948 964 HA3 GLY 133 2HA GLY 133 11.013 20.603 29.627 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -15.037 5.449 -8.586 2 HA2 GLY 1 1HA GLY 1 -12.556 6.927 -9.166 3 HA3 GLY 1 2HA GLY 1 -13.932 7.766 -8.466 4 H SER 2 H SER 2 -11.313 7.526 -7.325 5 HA SER 2 HA SER 2 -10.805 5.628 -5.475 6 HB2 SER 2 1HB SER 2 -9.430 7.663 -5.803 7 HB3 SER 2 2HB SER 2 -10.639 8.603 -4.930 8 HG SER 2 HG SER 2 -10.204 6.833 -3.242 9 H SER 3 H SER 3 -12.307 4.584 -4.318 10 HA SER 3 HA SER 3 -14.387 6.110 -2.938 11 HB2 SER 3 1HB SER 3 -14.034 3.165 -3.503 12 HB3 SER 3 2HB SER 3 -15.288 3.779 -2.425 13 HG SER 3 HG SER 3 -16.277 4.748 -4.101 14 H GLY 4 H GLY 4 -12.266 3.351 -2.121 15 HA2 GLY 4 1HA GLY 4 -10.874 3.138 -0.255 16 HA3 GLY 4 2HA GLY 4 -11.524 4.645 0.373 17 H SER 5 H SER 5 -11.277 1.522 1.089 18 HA SER 5 HA SER 5 -13.900 1.444 2.432 19 HB2 SER 5 1HB SER 5 -13.944 -0.946 2.205 20 HB3 SER 5 2HB SER 5 -13.588 -0.276 0.613 21 HG SER 5 HG SER 5 -11.300 -0.629 1.252 22 H SER 6 H SER 6 -10.941 2.236 3.097 23 HA SER 6 HA SER 6 -11.082 1.644 5.848 24 HB2 SER 6 1HB SER 6 -9.363 0.025 6.145 25 HB3 SER 6 2HB SER 6 -10.418 -0.620 4.889 26 HG SER 6 HG SER 6 -7.840 0.481 4.658 27 H GLY 7 H GLY 7 -10.378 3.566 6.516 28 HA2 GLY 7 1HA GLY 7 -9.070 5.438 6.759 29 HA3 GLY 7 2HA GLY 7 -7.722 4.350 6.461 30 H ASP 8 H ASP 8 -6.450 4.963 4.859 31 HA ASP 8 HA ASP 8 -7.647 6.442 2.608 32 HB2 ASP 8 1HB ASP 8 -6.201 7.884 3.968 33 HB3 ASP 8 2HB ASP 8 -4.870 6.746 3.771 34 H VAL 9 H VAL 9 -6.726 3.506 3.294 35 HA VAL 9 HA VAL 9 -4.685 2.824 1.489 36 HB VAL 9 HB VAL 9 -6.982 1.081 2.392 37 HG11 VAL 9 1HG1 VAL 9 -4.431 0.566 0.951 38 HG12 VAL 9 2HG1 VAL 9 -5.012 -0.644 2.097 39 HG13 VAL 9 3HG1 VAL 9 -6.021 -0.165 0.731 40 HG21 VAL 9 1HG2 VAL 9 -4.328 1.708 3.661 41 HG22 VAL 9 2HG2 VAL 9 -5.939 1.901 4.353 42 HG23 VAL 9 3HG2 VAL 9 -5.281 0.286 4.087 43 H ILE 10 H ILE 10 -4.662 2.893 -0.650 44 HA ILE 10 HA ILE 10 -7.176 3.092 -2.116 45 HB ILE 10 HB ILE 10 -4.315 3.477 -2.999 46 HG12 ILE 10 1HG1 ILE 10 -6.552 5.499 -2.873 47 HG13 ILE 10 2HG1 ILE 10 -5.451 5.219 -1.528 48 HG21 ILE 10 1HG2 ILE 10 -5.726 2.524 -4.794 49 HG22 ILE 10 2HG2 ILE 10 -6.826 3.890 -4.615 50 HG23 ILE 10 3HG2 ILE 10 -5.167 4.158 -5.150 51 HD11 ILE 10 1HD1 ILE 10 -3.604 5.668 -3.292 52 HD12 ILE 10 2HD1 ILE 10 -4.912 6.435 -4.194 53 HD13 ILE 10 3HD1 ILE 10 -4.491 7.018 -2.584 54 H GLU 11 H GLU 11 -7.889 1.627 -3.597 55 HA GLU 11 HA GLU 11 -6.549 -0.974 -3.579 56 HB2 GLU 11 1HB GLU 11 -8.883 -1.032 -2.968 57 HB3 GLU 11 2HB GLU 11 -9.329 -0.148 -4.420 58 HG2 GLU 11 1HG GLU 11 -8.604 -2.032 -5.794 59 HG3 GLU 11 2HG GLU 11 -8.158 -2.919 -4.338 60 H LEU 12 H LEU 12 -5.525 -1.768 -5.302 61 HA LEU 12 HA LEU 12 -5.941 -0.448 -7.902 62 HB2 LEU 12 1HB LEU 12 -3.336 -1.592 -6.919 63 HB3 LEU 12 2HB LEU 12 -3.610 -0.675 -8.398 64 HG LEU 12 HG LEU 12 -3.936 0.483 -5.635 65 HD11 LEU 12 1HD1 LEU 12 -1.702 0.284 -5.524 66 HD12 LEU 12 2HD1 LEU 12 -1.712 1.651 -6.638 67 HD13 LEU 12 3HD1 LEU 12 -1.533 0.010 -7.258 68 HD21 LEU 12 1HD2 LEU 12 -4.663 1.386 -8.208 69 HD22 LEU 12 2HD2 LEU 12 -3.278 2.348 -7.691 70 HD23 LEU 12 3HD2 LEU 12 -4.724 2.270 -6.683 71 H THR 13 H THR 13 -5.332 -1.803 -9.775 72 HA THR 13 HA THR 13 -5.853 -4.655 -9.237 73 HB THR 13 HB THR 13 -6.966 -4.794 -11.417 74 HG1 THR 13 1HG THR 13 -7.492 -2.637 -12.372 75 HG21 THR 13 1HG2 THR 13 -9.005 -3.716 -10.821 76 HG22 THR 13 2HG2 THR 13 -8.160 -2.516 -9.844 77 HG23 THR 13 3HG2 THR 13 -8.225 -4.197 -9.315 78 H ASP 14 H ASP 14 -5.243 -5.963 -11.351 79 HA ASP 14 HA ASP 14 -2.438 -5.870 -11.563 80 HB2 ASP 14 1HB ASP 14 -2.686 -7.616 -13.257 81 HB3 ASP 14 2HB ASP 14 -3.742 -7.932 -11.883 82 H ASP 15 H ASP 15 -4.910 -4.202 -13.250 83 HA ASP 15 HA ASP 15 -3.025 -3.411 -15.366 84 HB2 ASP 15 1HB ASP 15 -6.038 -3.362 -15.234 85 HB3 ASP 15 2HB ASP 15 -5.134 -2.503 -16.478 86 H SER 16 H SER 16 -5.488 -2.065 -13.179 87 HA SER 16 HA SER 16 -4.964 0.637 -13.693 88 HB2 SER 16 1HB SER 16 -6.076 -0.739 -11.242 89 HB3 SER 16 2HB SER 16 -6.013 1.014 -11.422 90 HG SER 16 HG SER 16 -7.685 0.915 -12.685 91 H PHE 17 H PHE 17 -3.271 -1.696 -11.779 92 HA PHE 17 HA PHE 17 -1.902 -0.034 -10.001 93 HB2 PHE 17 1HB PHE 17 -1.716 -2.329 -9.570 94 HB3 PHE 17 2HB PHE 17 -1.267 -2.700 -11.231 95 HD1 PHE 17 2HD PHE 17 1.005 -1.696 -12.032 96 HD2 PHE 17 1HD PHE 17 -0.081 -2.239 -7.953 97 HE1 PHE 17 2HE PHE 17 3.382 -1.660 -11.398 98 HE2 PHE 17 1HE PHE 17 2.294 -2.202 -7.312 99 HZ PHE 17 HZ PHE 17 4.029 -1.914 -9.035 100 H ASP 18 H ASP 18 -1.672 -0.259 -13.377 101 HA ASP 18 HA ASP 18 1.059 0.743 -13.498 102 HB2 ASP 18 1HB ASP 18 1.047 0.209 -15.735 103 HB3 ASP 18 2HB ASP 18 -0.157 -0.934 -15.146 104 H LYS 19 H LYS 19 -2.194 1.803 -14.476 105 HA LYS 19 HA LYS 19 -1.326 4.427 -15.203 106 HB2 LYS 19 1HB LYS 19 -3.492 4.802 -15.864 107 HB3 LYS 19 2HB LYS 19 -3.462 3.044 -15.911 108 HG2 LYS 19 1HG LYS 19 -4.284 3.294 -13.425 109 HG3 LYS 19 2HG LYS 19 -4.826 4.870 -14.005 110 HD2 LYS 19 1HD LYS 19 -5.775 3.389 -15.992 111 HD3 LYS 19 2HD LYS 19 -5.755 2.144 -14.741 112 HE2 LYS 19 1HE LYS 19 -7.837 2.997 -14.379 113 HE3 LYS 19 2HE LYS 19 -6.907 4.067 -13.331 114 HZ1 LYS 19 1HZ LYS 19 -8.022 5.630 -14.486 115 HZ2 LYS 19 2HZ LYS 19 -8.261 4.644 -15.840 116 HZ3 LYS 19 3HZ LYS 19 -6.772 5.412 -15.606 117 H ASN 20 H ASN 20 -1.705 2.959 -12.250 118 HA ASN 20 HA ASN 20 -2.470 5.447 -10.890 119 HB2 ASN 20 1HB ASN 20 -2.612 2.554 -10.158 120 HB3 ASN 20 2HB ASN 20 -2.440 3.737 -8.864 121 HD21 ASN 20 1HD2 ASN 20 -4.430 2.766 -11.588 122 HD22 ASN 20 2HD2 ASN 20 -5.894 3.480 -11.012 123 H VAL 21 H VAL 21 0.112 3.124 -11.262 124 HA VAL 21 HA VAL 21 1.759 4.614 -9.335 125 HB VAL 21 HB VAL 21 2.139 1.868 -10.532 126 HG11 VAL 21 1HG1 VAL 21 4.076 3.692 -9.445 127 HG12 VAL 21 2HG1 VAL 21 3.946 2.256 -8.427 128 HG13 VAL 21 3HG1 VAL 21 4.316 2.091 -10.144 129 HG21 VAL 21 1HG2 VAL 21 0.727 1.387 -8.845 130 HG22 VAL 21 2HG2 VAL 21 2.167 1.561 -7.842 131 HG23 VAL 21 3HG2 VAL 21 1.041 2.908 -8.009 132 H LEU 22 H LEU 22 2.258 2.915 -12.436 133 HA LEU 22 HA LEU 22 4.601 4.281 -13.130 134 HB2 LEU 22 1HB LEU 22 2.578 3.098 -15.022 135 HB3 LEU 22 2HB LEU 22 4.282 3.404 -15.351 136 HG LEU 22 HG LEU 22 3.098 1.298 -13.554 137 HD11 LEU 22 1HD1 LEU 22 3.236 0.085 -15.409 138 HD12 LEU 22 2HD1 LEU 22 4.990 0.229 -15.291 139 HD13 LEU 22 3HD1 LEU 22 4.076 1.377 -16.268 140 HD21 LEU 22 1HD2 LEU 22 5.602 0.681 -13.323 141 HD22 LEU 22 2HD2 LEU 22 4.932 1.950 -12.298 142 HD23 LEU 22 3HD2 LEU 22 5.884 2.376 -13.721 143 H ASP 23 H ASP 23 1.348 4.728 -14.529 144 HA ASP 23 HA ASP 23 1.917 7.041 -15.968 145 HB2 ASP 23 1HB ASP 23 -0.141 5.676 -16.233 146 HB3 ASP 23 2HB ASP 23 -0.727 6.304 -14.695 147 H SER 24 H SER 24 1.758 6.612 -12.619 148 HA SER 24 HA SER 24 1.163 9.434 -12.109 149 HB2 SER 24 1HB SER 24 0.107 7.468 -10.792 150 HB3 SER 24 2HB SER 24 1.668 7.370 -9.978 151 HG SER 24 HG SER 24 -0.305 8.965 -9.383 152 H GLU 25 H GLU 25 2.664 10.861 -11.451 153 HA GLU 25 HA GLU 25 5.438 9.979 -11.430 154 HB2 GLU 25 1HB GLU 25 5.989 12.361 -11.507 155 HB3 GLU 25 2HB GLU 25 4.843 11.938 -12.772 156 HG2 GLU 25 1HG GLU 25 3.101 13.061 -11.756 157 HG3 GLU 25 2HG GLU 25 3.858 13.006 -10.165 158 H ASP 26 H ASP 26 3.590 9.385 -9.195 159 HA ASP 26 HA ASP 26 5.117 10.703 -7.047 160 HB2 ASP 26 1HB ASP 26 2.202 9.895 -7.040 161 HB3 ASP 26 2HB ASP 26 3.086 10.435 -5.615 162 H VAL 27 H VAL 27 5.387 9.429 -5.093 163 HA VAL 27 HA VAL 27 6.154 6.749 -5.677 164 HB VAL 27 HB VAL 27 5.938 8.104 -2.984 165 HG11 VAL 27 1HG1 VAL 27 6.401 5.421 -3.617 166 HG12 VAL 27 2HG1 VAL 27 7.984 6.094 -3.226 167 HG13 VAL 27 3HG1 VAL 27 6.662 6.215 -2.065 168 HG21 VAL 27 1HG2 VAL 27 7.433 9.414 -4.224 169 HG22 VAL 27 2HG2 VAL 27 8.467 8.303 -3.326 170 HG23 VAL 27 3HG2 VAL 27 8.132 8.011 -5.033 171 H TRP 28 H TRP 28 4.991 4.949 -5.564 172 HA TRP 28 HA TRP 28 2.471 5.006 -4.037 173 HB2 TRP 28 1HB TRP 28 3.151 3.816 -6.701 174 HB3 TRP 28 2HB TRP 28 1.886 3.079 -5.721 175 HD1 TRP 28 HD TRP 28 2.683 6.293 -7.653 176 HE1 TRP 28 1HE TRP 28 0.486 7.569 -8.060 177 HE3 TRP 28 3HE TRP 28 -0.459 3.421 -4.822 178 HZ2 TRP 28 2HZ TRP 28 -2.222 7.383 -7.283 179 HZ3 TRP 28 3HZ TRP 28 -2.838 4.039 -4.706 180 HH2 TRP 28 HH TRP 28 -3.699 5.980 -5.912 181 H MET 29 H MET 29 2.520 3.773 -2.287 182 HA MET 29 HA MET 29 4.482 1.634 -2.070 183 HB2 MET 29 1HB MET 29 2.856 3.230 -0.177 184 HB3 MET 29 2HB MET 29 3.212 1.577 0.306 185 HG2 MET 29 1HG MET 29 5.434 3.297 -0.669 186 HG3 MET 29 2HG MET 29 4.797 3.557 0.954 187 HE1 MET 29 1HE MET 29 5.635 2.510 2.885 188 HE2 MET 29 2HE MET 29 6.946 1.330 2.903 189 HE3 MET 29 3HE MET 29 7.189 2.908 2.152 190 H VAL 30 H VAL 30 3.948 -0.325 -2.761 191 HA VAL 30 HA VAL 30 1.136 -1.163 -2.664 192 HB VAL 30 HB VAL 30 3.449 -2.399 -4.165 193 HG11 VAL 30 1HG1 VAL 30 0.579 -3.144 -3.846 194 HG12 VAL 30 2HG1 VAL 30 1.387 -3.462 -5.382 195 HG13 VAL 30 3HG1 VAL 30 2.011 -4.172 -3.893 196 HG21 VAL 30 1HG2 VAL 30 3.023 -1.030 -5.871 197 HG22 VAL 30 2HG2 VAL 30 1.285 -1.301 -5.750 198 HG23 VAL 30 3HG2 VAL 30 2.058 -0.073 -4.747 199 H GLU 31 H GLU 31 0.602 -2.251 -0.890 200 HA GLU 31 HA GLU 31 2.585 -4.063 0.310 201 HB2 GLU 31 1HB GLU 31 1.869 -2.382 1.870 202 HB3 GLU 31 2HB GLU 31 0.177 -2.685 1.501 203 HG2 GLU 31 1HG GLU 31 1.795 -4.942 2.541 204 HG3 GLU 31 2HG GLU 31 1.341 -3.658 3.660 205 H PHE 32 H PHE 32 2.231 -5.893 -0.911 206 HA PHE 32 HA PHE 32 -0.289 -6.927 -1.605 207 HB2 PHE 32 1HB PHE 32 2.299 -8.447 -1.223 208 HB3 PHE 32 2HB PHE 32 0.897 -8.994 -2.137 209 HD1 PHE 32 2HD PHE 32 3.720 -6.653 -2.075 210 HD2 PHE 32 1HD PHE 32 0.451 -8.172 -4.338 211 HE1 PHE 32 2HE PHE 32 4.634 -5.595 -4.099 212 HE2 PHE 32 1HE PHE 32 1.360 -7.117 -6.367 213 HZ PHE 32 HZ PHE 32 3.454 -5.825 -6.249 214 H TYR 33 H TYR 33 -1.815 -7.678 -0.308 215 HA TYR 33 HA TYR 33 -1.008 -9.122 2.130 216 HB2 TYR 33 1HB TYR 33 -2.637 -8.065 3.409 217 HB3 TYR 33 2HB TYR 33 -2.068 -6.755 2.380 218 HD1 TYR 33 1HD TYR 33 -4.782 -9.251 2.789 219 HD2 TYR 33 2HD TYR 33 -3.547 -5.626 0.933 220 HE1 TYR 33 1HE TYR 33 -7.085 -8.870 2.015 221 HE2 TYR 33 2HE TYR 33 -5.848 -5.235 0.155 222 HH TYR 33 HH TYR 33 -7.891 -6.135 -0.076 223 H ALA 34 H ALA 34 -2.732 -10.594 2.959 224 HA ALA 34 HA ALA 34 -4.288 -11.757 0.742 225 HB1 ALA 34 1HB ALA 34 -3.882 -13.921 2.253 226 HB2 ALA 34 2HB ALA 34 -2.780 -13.433 0.965 227 HB3 ALA 34 3HB ALA 34 -2.411 -13.029 2.641 228 HA PRO 35 HA PRO 35 -7.764 -11.171 3.408 229 HB2 PRO 35 1HB PRO 35 -9.519 -12.750 2.067 230 HB3 PRO 35 2HB PRO 35 -9.027 -11.154 1.489 231 HG2 PRO 35 1HG PRO 35 -8.042 -13.857 0.660 232 HG3 PRO 35 2HG PRO 35 -8.436 -12.452 -0.348 233 HD2 PRO 35 1HD PRO 35 -5.892 -13.102 0.315 234 HD3 PRO 35 2HD PRO 35 -6.417 -11.423 0.077 235 H TRP 36 H TRP 36 -6.119 -14.109 2.928 236 HA TRP 36 HA TRP 36 -7.636 -15.360 5.125 237 HB2 TRP 36 1HB TRP 36 -6.605 -17.532 4.079 238 HB3 TRP 36 2HB TRP 36 -8.051 -16.816 3.373 239 HD1 TRP 36 HD TRP 36 -7.956 -16.503 0.838 240 HE1 TRP 36 1HE TRP 36 -6.097 -16.363 -0.937 241 HE3 TRP 36 3HE TRP 36 -3.878 -16.658 3.918 242 HZ2 TRP 36 2HZ TRP 36 -3.276 -16.325 -1.021 243 HZ3 TRP 36 3HZ TRP 36 -1.635 -16.566 2.910 244 HH2 TRP 36 HH TRP 36 -1.342 -16.404 0.492 245 H CYS 37 H CYS 37 -5.113 -13.609 4.906 246 HA CYS 37 HA CYS 37 -3.309 -15.414 6.376 247 HB2 CYS 37 1HB CYS 37 -2.471 -14.404 4.201 248 HB3 CYS 37 2HB CYS 37 -2.510 -12.843 5.012 249 HG CYS 37 HG CYS 37 0.131 -13.920 4.859 250 H GLY 38 H GLY 38 -3.404 -15.104 8.497 251 HA2 GLY 38 1HA GLY 38 -4.656 -13.098 9.874 252 HA3 GLY 38 2HA GLY 38 -3.309 -14.019 10.527 253 H HIS 39 H HIS 39 -1.146 -13.217 9.243 254 HA HIS 39 HA HIS 39 -0.212 -11.000 10.391 255 HB2 HIS 39 1HB HIS 39 0.322 -11.908 7.560 256 HB3 HIS 39 2HB HIS 39 1.258 -10.649 8.361 257 HD1 HIS 39 1HD HIS 39 3.256 -12.419 7.889 258 HD2 HIS 39 2HD HIS 39 0.464 -13.480 10.777 259 HE1 HIS 39 1HE HIS 39 4.341 -14.247 9.233 260 HE2 HIS 39 2HE HIS 39 2.601 -14.931 10.920 261 H CYS 40 H CYS 40 -1.834 -10.928 7.217 262 HA CYS 40 HA CYS 40 -1.792 -8.186 6.814 263 HB2 CYS 40 1HB CYS 40 -2.509 -9.323 4.944 264 HB3 CYS 40 2HB CYS 40 -3.540 -10.409 5.867 265 HG CYS 40 HG CYS 40 -4.284 -7.522 4.382 266 H LYS 41 H LYS 41 -4.469 -10.102 8.188 267 HA LYS 41 HA LYS 41 -6.256 -8.159 8.812 268 HB2 LYS 41 1HB LYS 41 -5.480 -10.693 10.187 269 HB3 LYS 41 2HB LYS 41 -6.599 -9.608 11.002 270 HG2 LYS 41 1HG LYS 41 -8.249 -9.903 9.420 271 HG3 LYS 41 2HG LYS 41 -7.108 -10.412 8.173 272 HD2 LYS 41 1HD LYS 41 -7.362 -12.101 10.606 273 HD3 LYS 41 2HD LYS 41 -8.678 -12.141 9.431 274 HE2 LYS 41 1HE LYS 41 -5.880 -12.399 8.448 275 HE3 LYS 41 2HE LYS 41 -6.617 -13.781 9.255 276 HZ1 LYS 41 1HZ LYS 41 -8.074 -12.407 7.101 277 HZ2 LYS 41 2HZ LYS 41 -8.191 -14.014 7.615 278 HZ3 LYS 41 3HZ LYS 41 -6.854 -13.511 6.709 279 H ASN 42 H ASN 42 -3.368 -9.003 10.681 280 HA ASN 42 HA ASN 42 -3.880 -7.077 12.736 281 HB2 ASN 42 1HB ASN 42 -1.550 -8.832 12.018 282 HB3 ASN 42 2HB ASN 42 -1.372 -7.572 13.236 283 HD21 ASN 42 1HD2 ASN 42 -0.878 -9.564 14.507 284 HD22 ASN 42 2HD2 ASN 42 -2.201 -10.349 15.293 285 H LEU 43 H LEU 43 -2.320 -7.039 9.648 286 HA LEU 43 HA LEU 43 -0.899 -4.565 10.166 287 HB2 LEU 43 1HB LEU 43 0.223 -6.091 8.748 288 HB3 LEU 43 2HB LEU 43 -1.208 -6.319 7.744 289 HG LEU 43 HG LEU 43 -0.943 -3.918 7.021 290 HD11 LEU 43 1HD1 LEU 43 0.938 -3.868 9.072 291 HD12 LEU 43 2HD1 LEU 43 0.636 -2.611 7.873 292 HD13 LEU 43 3HD1 LEU 43 1.883 -3.823 7.584 293 HD21 LEU 43 1HD2 LEU 43 0.301 -4.569 5.240 294 HD22 LEU 43 2HD2 LEU 43 0.018 -6.160 5.947 295 HD23 LEU 43 3HD2 LEU 43 1.543 -5.324 6.239 296 H GLU 44 H GLU 44 -3.984 -5.528 9.089 297 HA GLU 44 HA GLU 44 -4.810 -3.736 7.235 298 HB2 GLU 44 1HB GLU 44 -6.544 -5.080 7.864 299 HB3 GLU 44 2HB GLU 44 -6.129 -5.000 9.570 300 HG2 GLU 44 1HG GLU 44 -7.258 -2.998 9.883 301 HG3 GLU 44 2HG GLU 44 -7.255 -2.616 8.162 302 HA PRO 45 HA PRO 45 -5.554 -0.296 10.548 303 HB2 PRO 45 1HB PRO 45 -4.518 -0.709 13.023 304 HB3 PRO 45 2HB PRO 45 -6.146 -1.223 12.565 305 HG2 PRO 45 1HG PRO 45 -3.624 -2.830 12.715 306 HG3 PRO 45 2HG PRO 45 -5.258 -3.258 13.257 307 HD2 PRO 45 1HD PRO 45 -4.215 -4.152 10.923 308 HD3 PRO 45 2HD PRO 45 -5.948 -3.828 11.133 309 H GLU 46 H GLU 46 -2.523 -2.084 11.069 310 HA GLU 46 HA GLU 46 -0.872 0.101 11.609 311 HB2 GLU 46 1HB GLU 46 -0.167 -2.499 10.236 312 HB3 GLU 46 2HB GLU 46 0.991 -1.366 10.918 313 HG2 GLU 46 1HG GLU 46 -0.903 -3.200 12.302 314 HG3 GLU 46 2HG GLU 46 0.817 -2.939 12.582 315 H TRP 47 H TRP 47 -2.061 -1.182 8.586 316 HA TRP 47 HA TRP 47 -0.307 0.514 7.009 317 HB2 TRP 47 1HB TRP 47 -0.992 -1.832 6.326 318 HB3 TRP 47 2HB TRP 47 -2.598 -1.180 6.009 319 HD1 TRP 47 HD TRP 47 -2.986 -0.103 3.692 320 HE1 TRP 47 1HE TRP 47 -1.490 0.443 1.671 321 HE3 TRP 47 3HE TRP 47 1.582 -1.062 5.780 322 HZ2 TRP 47 2HZ TRP 47 1.263 0.464 1.043 323 HZ3 TRP 47 3HZ TRP 47 3.596 -0.754 4.401 324 HH2 TRP 47 HH TRP 47 3.438 -0.008 2.082 325 H ALA 48 H ALA 48 -3.698 0.324 7.944 326 HA ALA 48 HA ALA 48 -4.725 2.309 6.264 327 HB1 ALA 48 1HB ALA 48 -6.365 2.582 8.319 328 HB2 ALA 48 2HB ALA 48 -6.403 1.151 7.288 329 HB3 ALA 48 3HB ALA 48 -5.570 1.096 8.841 330 H ALA 49 H ALA 49 -3.310 2.547 9.508 331 HA ALA 49 HA ALA 49 -3.733 5.338 9.792 332 HB1 ALA 49 1HB ALA 49 -1.675 3.619 11.172 333 HB2 ALA 49 2HB ALA 49 -2.265 5.194 11.704 334 HB3 ALA 49 3HB ALA 49 -3.351 3.805 11.690 335 H ALA 50 H ALA 50 -0.897 3.420 8.831 336 HA ALA 50 HA ALA 50 0.954 5.452 8.539 337 HB1 ALA 50 1HB ALA 50 2.113 3.601 8.105 338 HB2 ALA 50 2HB ALA 50 0.667 2.722 7.608 339 HB3 ALA 50 3HB ALA 50 1.526 3.734 6.447 340 H ALA 51 H ALA 51 -1.499 4.341 6.243 341 HA ALA 51 HA ALA 51 -0.730 5.843 4.025 342 HB1 ALA 51 1HB ALA 51 -2.566 4.024 4.296 343 HB2 ALA 51 2HB ALA 51 -3.621 5.396 4.636 344 HB3 ALA 51 3HB ALA 51 -2.771 5.298 3.094 345 H SER 52 H SER 52 -2.857 6.702 6.728 346 HA SER 52 HA SER 52 -3.446 9.309 5.693 347 HB2 SER 52 1HB SER 52 -4.066 7.798 8.183 348 HB3 SER 52 2HB SER 52 -4.163 9.557 8.257 349 HG SER 52 HG SER 52 -6.038 9.321 7.355 350 H GLU 53 H GLU 53 -1.034 7.936 7.800 351 HA GLU 53 HA GLU 53 -0.126 10.486 8.796 352 HB2 GLU 53 1HB GLU 53 0.104 8.558 10.230 353 HB3 GLU 53 2HB GLU 53 1.030 7.703 9.003 354 HG2 GLU 53 1HG GLU 53 2.623 8.433 10.533 355 HG3 GLU 53 2HG GLU 53 2.728 9.590 9.206 356 H VAL 54 H VAL 54 0.520 8.455 6.089 357 HA VAL 54 HA VAL 54 3.093 9.658 5.507 358 HB VAL 54 HB VAL 54 1.408 7.677 3.975 359 HG11 VAL 54 1HG1 VAL 54 3.191 7.460 2.398 360 HG12 VAL 54 2HG1 VAL 54 2.764 9.170 2.496 361 HG13 VAL 54 3HG1 VAL 54 4.209 8.571 3.314 362 HG21 VAL 54 1HG2 VAL 54 4.013 6.764 4.735 363 HG22 VAL 54 2HG2 VAL 54 3.171 7.393 6.151 364 HG23 VAL 54 3HG2 VAL 54 2.433 6.118 5.181 365 H LYS 55 H LYS 55 -0.210 9.752 4.250 366 HA LYS 55 HA LYS 55 0.404 11.515 2.088 367 HB2 LYS 55 1HB LYS 55 -1.826 11.381 1.535 368 HB3 LYS 55 2HB LYS 55 -1.637 9.897 2.459 369 HG2 LYS 55 1HG LYS 55 -2.629 10.896 4.392 370 HG3 LYS 55 2HG LYS 55 -2.647 12.484 3.620 371 HD2 LYS 55 1HD LYS 55 -4.227 11.673 1.954 372 HD3 LYS 55 2HD LYS 55 -4.178 10.061 2.671 373 HE2 LYS 55 1HE LYS 55 -5.222 10.824 4.662 374 HE3 LYS 55 2HE LYS 55 -5.016 12.513 4.202 375 HZ1 LYS 55 1HZ LYS 55 -7.083 10.658 3.471 376 HZ2 LYS 55 2HZ LYS 55 -6.440 11.485 2.143 377 HZ3 LYS 55 3HZ LYS 55 -7.091 12.349 3.444 378 H GLU 56 H GLU 56 -0.153 11.937 5.439 379 HA GLU 56 HA GLU 56 -0.959 14.714 5.198 380 HB2 GLU 56 1HB GLU 56 -1.329 14.688 7.504 381 HB3 GLU 56 2HB GLU 56 -1.745 13.054 7.004 382 HG2 GLU 56 1HG GLU 56 0.421 12.251 7.755 383 HG3 GLU 56 2HG GLU 56 0.880 13.889 8.217 384 H GLN 57 H GLN 57 1.917 12.849 5.791 385 HA GLN 57 HA GLN 57 3.437 15.201 6.591 386 HB2 GLN 57 1HB GLN 57 4.127 12.275 6.373 387 HB3 GLN 57 2HB GLN 57 5.338 13.507 6.701 388 HG2 GLN 57 1HG GLN 57 4.049 14.176 8.705 389 HG3 GLN 57 2HG GLN 57 2.945 12.836 8.396 390 HE21 GLN 57 1HE2 GLN 57 4.211 10.698 8.007 391 HE22 GLN 57 2HE2 GLN 57 5.415 10.345 9.193 392 H THR 58 H THR 58 3.377 12.811 3.971 393 HA THR 58 HA THR 58 5.454 14.127 2.488 394 HB THR 58 HB THR 58 5.097 12.492 0.780 395 HG1 THR 58 1HG THR 58 2.593 12.152 2.055 396 HG21 THR 58 1HG2 THR 58 6.132 11.048 2.127 397 HG22 THR 58 2HG2 THR 58 4.550 10.469 2.649 398 HG23 THR 58 3HG2 THR 58 5.360 11.752 3.547 399 H LYS 59 H LYS 59 2.548 15.229 3.162 400 HA LYS 59 HA LYS 59 1.128 16.746 2.238 401 HB2 LYS 59 1HB LYS 59 3.302 17.048 0.158 402 HB3 LYS 59 2HB LYS 59 1.982 18.175 0.443 403 HG2 LYS 59 1HG LYS 59 4.029 17.478 2.531 404 HG3 LYS 59 2HG LYS 59 4.203 18.829 1.408 405 HD2 LYS 59 1HD LYS 59 1.699 18.574 3.013 406 HD3 LYS 59 2HD LYS 59 3.159 19.197 3.784 407 HE2 LYS 59 1HE LYS 59 3.305 20.809 1.812 408 HE3 LYS 59 2HE LYS 59 1.650 20.326 1.443 409 HZ1 LYS 59 1HZ LYS 59 2.478 22.252 3.250 410 HZ2 LYS 59 2HZ LYS 59 1.878 20.974 4.182 411 HZ3 LYS 59 3HZ LYS 59 0.902 21.689 3.000 412 H GLY 60 H GLY 60 1.131 13.890 1.376 413 HA2 GLY 60 1HA GLY 60 -0.510 12.794 0.101 414 HA3 GLY 60 2HA GLY 60 -0.699 14.249 -0.866 415 H LYS 61 H LYS 61 2.483 14.007 -0.801 416 HA LYS 61 HA LYS 61 2.799 13.199 -3.440 417 HB2 LYS 61 1HB LYS 61 4.556 14.452 -2.510 418 HB3 LYS 61 2HB LYS 61 4.708 13.380 -1.125 419 HG2 LYS 61 1HG LYS 61 6.561 13.191 -2.759 420 HG3 LYS 61 2HG LYS 61 5.707 11.674 -2.468 421 HD2 LYS 61 1HD LYS 61 5.871 11.666 -4.765 422 HD3 LYS 61 2HD LYS 61 4.290 12.415 -4.536 423 HE2 LYS 61 1HE LYS 61 5.203 13.891 -6.019 424 HE3 LYS 61 2HE LYS 61 5.734 14.626 -4.507 425 HZ1 LYS 61 1HZ LYS 61 7.626 14.563 -5.844 426 HZ2 LYS 61 2HZ LYS 61 7.310 13.000 -6.408 427 HZ3 LYS 61 3HZ LYS 61 7.821 13.236 -4.813 428 H VAL 62 H VAL 62 4.047 11.344 -0.663 429 HA VAL 62 HA VAL 62 4.080 8.919 -2.205 430 HB VAL 62 HB VAL 62 4.505 9.190 0.770 431 HG11 VAL 62 1HG1 VAL 62 6.157 7.224 -0.112 432 HG12 VAL 62 2HG1 VAL 62 4.543 6.953 0.548 433 HG13 VAL 62 3HG1 VAL 62 4.781 7.029 -1.198 434 HG21 VAL 62 1HG2 VAL 62 6.848 9.501 0.343 435 HG22 VAL 62 2HG2 VAL 62 6.599 9.348 -1.396 436 HG23 VAL 62 3HG2 VAL 62 5.951 10.742 -0.532 437 H LYS 63 H LYS 63 2.173 8.012 -2.678 438 HA LYS 63 HA LYS 63 0.050 7.960 -0.671 439 HB2 LYS 63 1HB LYS 63 0.049 7.137 -3.581 440 HB3 LYS 63 2HB LYS 63 -1.355 7.092 -2.523 441 HG2 LYS 63 1HG LYS 63 -1.546 9.392 -2.456 442 HG3 LYS 63 2HG LYS 63 0.142 9.648 -2.904 443 HD2 LYS 63 1HD LYS 63 -0.263 9.340 -5.139 444 HD3 LYS 63 2HD LYS 63 -1.644 8.279 -4.852 445 HE2 LYS 63 1HE LYS 63 -2.730 10.152 -5.583 446 HE3 LYS 63 2HE LYS 63 -2.691 10.481 -3.851 447 HZ1 LYS 63 1HZ LYS 63 -0.357 11.527 -4.703 448 HZ2 LYS 63 2HZ LYS 63 -1.780 12.409 -4.462 449 HZ3 LYS 63 3HZ LYS 63 -1.377 11.859 -6.011 450 H LEU 64 H LEU 64 -0.899 6.059 0.078 451 HA LEU 64 HA LEU 64 0.733 3.638 -0.312 452 HB2 LEU 64 1HB LEU 64 -0.594 4.827 2.057 453 HB3 LEU 64 2HB LEU 64 -0.569 3.069 1.942 454 HG LEU 64 HG LEU 64 1.945 3.255 1.690 455 HD11 LEU 64 1HD1 LEU 64 2.602 5.359 1.224 456 HD12 LEU 64 2HD1 LEU 64 2.600 5.521 2.980 457 HD13 LEU 64 3HD1 LEU 64 1.220 6.089 2.041 458 HD21 LEU 64 1HD2 LEU 64 1.730 4.292 4.314 459 HD22 LEU 64 2HD2 LEU 64 1.860 2.607 3.809 460 HD23 LEU 64 3HD2 LEU 64 0.272 3.355 3.990 461 H ALA 65 H ALA 65 -0.203 1.936 -1.232 462 HA ALA 65 HA ALA 65 -3.143 1.762 -1.213 463 HB1 ALA 65 1HB ALA 65 -2.556 2.505 -3.401 464 HB2 ALA 65 2HB ALA 65 -1.288 1.286 -3.537 465 HB3 ALA 65 3HB ALA 65 -2.982 0.797 -3.517 466 H ALA 66 H ALA 66 -3.850 -0.517 -1.938 467 HA ALA 66 HA ALA 66 -2.007 -2.565 -0.919 468 HB1 ALA 66 1HB ALA 66 -3.730 -3.581 0.422 469 HB2 ALA 66 2HB ALA 66 -3.548 -1.892 0.897 470 HB3 ALA 66 3HB ALA 66 -4.907 -2.382 -0.114 471 H VAL 67 H VAL 67 -2.160 -4.554 -1.889 472 HA VAL 67 HA VAL 67 -4.206 -4.872 -3.982 473 HB VAL 67 HB VAL 67 -1.282 -5.581 -4.256 474 HG11 VAL 67 1HG1 VAL 67 -3.679 -6.111 -5.973 475 HG12 VAL 67 2HG1 VAL 67 -2.067 -5.983 -6.679 476 HG13 VAL 67 3HG1 VAL 67 -2.404 -7.220 -5.468 477 HG21 VAL 67 1HG2 VAL 67 -1.428 -3.258 -4.537 478 HG22 VAL 67 2HG2 VAL 67 -1.475 -3.905 -6.177 479 HG23 VAL 67 3HG2 VAL 67 -2.964 -3.369 -5.397 480 H ASP 68 H ASP 68 -4.780 -7.030 -4.493 481 HA ASP 68 HA ASP 68 -4.307 -8.887 -2.277 482 HB2 ASP 68 1HB ASP 68 -6.386 -8.971 -4.475 483 HB3 ASP 68 2HB ASP 68 -6.276 -10.094 -3.122 484 H ALA 69 H ALA 69 -2.645 -10.216 -2.583 485 HA ALA 69 HA ALA 69 -1.597 -10.895 -5.130 486 HB1 ALA 69 1HB ALA 69 -0.770 -12.794 -3.179 487 HB2 ALA 69 2HB ALA 69 0.145 -11.459 -3.880 488 HB3 ALA 69 3HB ALA 69 -0.819 -11.199 -2.427 489 H THR 70 H THR 70 -4.383 -11.889 -3.699 490 HA THR 70 HA THR 70 -4.261 -14.670 -4.544 491 HB THR 70 HB THR 70 -6.516 -14.872 -3.629 492 HG1 THR 70 1HG THR 70 -6.334 -12.078 -3.626 493 HG21 THR 70 1HG2 THR 70 -6.017 -14.395 -1.290 494 HG22 THR 70 2HG2 THR 70 -4.699 -13.328 -1.774 495 HG23 THR 70 3HG2 THR 70 -4.599 -15.058 -2.100 496 H VAL 71 H VAL 71 -5.453 -11.620 -5.676 497 HA VAL 71 HA VAL 71 -6.823 -12.974 -7.907 498 HB VAL 71 HB VAL 71 -8.283 -11.517 -6.542 499 HG11 VAL 71 1HG1 VAL 71 -6.154 -9.856 -6.348 500 HG12 VAL 71 2HG1 VAL 71 -7.102 -9.038 -7.592 501 HG13 VAL 71 3HG1 VAL 71 -7.818 -9.379 -6.016 502 HG21 VAL 71 1HG2 VAL 71 -8.189 -11.744 -9.244 503 HG22 VAL 71 2HG2 VAL 71 -9.473 -10.922 -8.357 504 HG23 VAL 71 3HG2 VAL 71 -8.144 -9.991 -9.048 505 H ASN 72 H ASN 72 -4.327 -10.747 -7.005 506 HA ASN 72 HA ASN 72 -3.890 -9.917 -9.770 507 HB2 ASN 72 1HB ASN 72 -2.939 -8.975 -7.103 508 HB3 ASN 72 2HB ASN 72 -1.915 -8.667 -8.503 509 HD21 ASN 72 1HD2 ASN 72 -5.250 -8.330 -7.371 510 HD22 ASN 72 2HD2 ASN 72 -5.564 -6.845 -8.198 511 H GLN 73 H GLN 73 -2.754 -11.255 -11.006 512 HA GLN 73 HA GLN 73 -0.527 -12.748 -9.791 513 HB2 GLN 73 1HB GLN 73 -2.096 -13.377 -12.297 514 HB3 GLN 73 2HB GLN 73 -0.772 -14.339 -11.651 515 HG2 GLN 73 1HG GLN 73 -3.137 -13.775 -9.931 516 HG3 GLN 73 2HG GLN 73 -3.252 -15.001 -11.193 517 HE21 GLN 73 1HE2 GLN 73 -2.540 -14.488 -8.026 518 HE22 GLN 73 2HE2 GLN 73 -1.587 -15.894 -7.712 519 H VAL 74 H VAL 74 -1.501 -10.753 -12.523 520 HA VAL 74 HA VAL 74 0.737 -10.867 -14.122 521 HB VAL 74 HB VAL 74 -0.850 -8.369 -13.515 522 HG11 VAL 74 1HG1 VAL 74 1.393 -8.854 -15.208 523 HG12 VAL 74 2HG1 VAL 74 -0.018 -8.510 -16.211 524 HG13 VAL 74 3HG1 VAL 74 0.486 -7.360 -14.972 525 HG21 VAL 74 1HG2 VAL 74 -2.506 -9.067 -14.897 526 HG22 VAL 74 2HG2 VAL 74 -1.415 -10.008 -15.913 527 HG23 VAL 74 3HG2 VAL 74 -1.953 -10.655 -14.363 528 H LEU 75 H LEU 75 0.212 -8.876 -11.240 529 HA LEU 75 HA LEU 75 2.848 -7.700 -11.428 530 HB2 LEU 75 1HB LEU 75 1.011 -7.522 -9.064 531 HB3 LEU 75 2HB LEU 75 2.251 -6.382 -9.580 532 HG LEU 75 HG LEU 75 -0.292 -6.887 -11.117 533 HD11 LEU 75 1HD1 LEU 75 0.167 -4.447 -9.465 534 HD12 LEU 75 2HD1 LEU 75 -0.457 -5.909 -8.702 535 HD13 LEU 75 3HD1 LEU 75 -1.345 -5.159 -10.029 536 HD21 LEU 75 1HD2 LEU 75 0.827 -5.755 -12.678 537 HD22 LEU 75 2HD2 LEU 75 2.116 -5.319 -11.555 538 HD23 LEU 75 3HD2 LEU 75 0.647 -4.346 -11.632 539 H ALA 76 H ALA 76 1.153 -9.876 -9.179 540 HA ALA 76 HA ALA 76 3.115 -10.371 -7.342 541 HB1 ALA 76 1HB ALA 76 0.982 -12.122 -8.497 542 HB2 ALA 76 2HB ALA 76 2.120 -12.763 -7.312 543 HB3 ALA 76 3HB ALA 76 1.088 -11.396 -6.893 544 H SER 77 H SER 77 2.757 -11.879 -10.530 545 HA SER 77 HA SER 77 5.049 -13.570 -10.201 546 HB2 SER 77 1HB SER 77 2.989 -13.917 -11.747 547 HB3 SER 77 2HB SER 77 3.851 -12.862 -12.867 548 HG SER 77 HG SER 77 5.669 -14.490 -12.259 549 H ARG 78 H ARG 78 4.371 -10.566 -11.960 550 HA ARG 78 HA ARG 78 6.643 -10.160 -13.380 551 HB2 ARG 78 1HB ARG 78 4.747 -8.574 -13.269 552 HB3 ARG 78 2HB ARG 78 5.287 -8.063 -11.675 553 HG2 ARG 78 1HG ARG 78 7.217 -7.043 -12.535 554 HG3 ARG 78 2HG ARG 78 7.051 -7.858 -14.092 555 HD2 ARG 78 1HD ARG 78 4.875 -6.594 -14.368 556 HD3 ARG 78 2HD ARG 78 5.360 -5.638 -12.968 557 HE ARG 78 HE ARG 78 7.473 -5.573 -14.763 558 HH11 ARG 78 2HH1 ARG 78 4.145 -4.558 -14.649 559 HH12 ARG 78 1HH1 ARG 78 4.379 -3.221 -15.726 560 HH21 ARG 78 2HH2 ARG 78 7.794 -3.817 -16.183 561 HH22 ARG 78 1HH2 ARG 78 6.455 -2.802 -16.599 562 H TYR 79 H TYR 79 6.245 -9.421 -9.923 563 HA TYR 79 HA TYR 79 9.162 -9.127 -9.711 564 HB2 TYR 79 1HB TYR 79 7.126 -8.333 -7.631 565 HB3 TYR 79 2HB TYR 79 8.812 -7.839 -7.737 566 HD1 TYR 79 2HD TYR 79 5.497 -7.482 -9.352 567 HD2 TYR 79 1HD TYR 79 9.445 -5.938 -8.989 568 HE1 TYR 79 2HE TYR 79 4.824 -5.481 -10.613 569 HE2 TYR 79 1HE TYR 79 8.782 -3.932 -10.248 570 HH TYR 79 HH TYR 79 5.804 -2.927 -10.670 571 H GLY 80 H GLY 80 6.494 -11.105 -8.816 572 HA2 GLY 80 1HA GLY 80 6.617 -13.272 -7.958 573 HA3 GLY 80 2HA GLY 80 8.302 -12.990 -7.549 574 H ILE 81 H ILE 81 4.978 -12.404 -6.547 575 HA ILE 81 HA ILE 81 5.962 -11.854 -3.824 576 HB ILE 81 HB ILE 81 3.229 -11.148 -4.884 577 HG12 ILE 81 1HG1 ILE 81 5.172 -10.010 -6.089 578 HG13 ILE 81 2HG1 ILE 81 3.973 -8.951 -5.355 579 HG21 ILE 81 1HG2 ILE 81 4.494 -11.058 -2.305 580 HG22 ILE 81 2HG2 ILE 81 4.028 -9.438 -2.819 581 HG23 ILE 81 3HG2 ILE 81 2.819 -10.720 -2.743 582 HD11 ILE 81 1HD1 ILE 81 6.664 -8.728 -5.055 583 HD12 ILE 81 2HD1 ILE 81 5.460 -8.054 -3.957 584 HD13 ILE 81 3HD1 ILE 81 6.209 -9.609 -3.598 585 H ARG 82 H ARG 82 5.969 -13.766 -2.791 586 HA ARG 82 HA ARG 82 3.461 -15.311 -2.796 587 HB2 ARG 82 1HB ARG 82 4.857 -17.352 -2.450 588 HB3 ARG 82 2HB ARG 82 5.076 -16.596 -4.023 589 HG2 ARG 82 1HG ARG 82 7.057 -15.384 -2.742 590 HG3 ARG 82 2HG ARG 82 6.961 -16.842 -1.752 591 HD2 ARG 82 1HD ARG 82 6.964 -17.138 -4.712 592 HD3 ARG 82 2HD ARG 82 8.480 -16.725 -3.912 593 HE ARG 82 HE ARG 82 7.261 -18.906 -2.601 594 HH11 ARG 82 2HH1 ARG 82 8.944 -18.092 -5.537 595 HH12 ARG 82 1HH1 ARG 82 9.583 -19.686 -5.767 596 HH21 ARG 82 2HH2 ARG 82 8.096 -21.009 -2.892 597 HH22 ARG 82 1HH2 ARG 82 9.099 -21.344 -4.263 598 H GLY 83 H GLY 83 5.818 -13.657 -1.007 599 HA2 GLY 83 1HA GLY 83 4.912 -14.936 1.496 600 HA3 GLY 83 2HA GLY 83 6.460 -14.129 1.298 601 H PHE 84 H PHE 84 3.092 -13.744 1.955 602 HA PHE 84 HA PHE 84 3.360 -10.830 2.084 603 HB2 PHE 84 1HB PHE 84 0.785 -12.176 2.729 604 HB3 PHE 84 2HB PHE 84 1.082 -10.678 1.853 605 HD1 PHE 84 2HD PHE 84 3.152 -11.961 -0.062 606 HD2 PHE 84 1HD PHE 84 -0.783 -13.045 1.146 607 HE1 PHE 84 2HE PHE 84 2.827 -13.145 -2.194 608 HE2 PHE 84 1HE PHE 84 -1.114 -14.232 -0.984 609 HZ PHE 84 HZ PHE 84 0.692 -14.282 -2.658 610 HA PRO 85 HA PRO 85 1.794 -9.303 3.070 611 HB2 PRO 85 1HB PRO 85 2.741 -7.216 4.526 612 HB3 PRO 85 2HB PRO 85 1.229 -8.048 4.910 613 HG2 PRO 85 1HG PRO 85 3.940 -8.383 6.135 614 HG3 PRO 85 2HG PRO 85 2.356 -8.303 6.928 615 HD2 PRO 85 1HD PRO 85 3.641 -10.643 6.475 616 HD3 PRO 85 2HD PRO 85 1.871 -10.508 6.463 617 H THR 86 H THR 86 2.814 -7.880 1.626 618 HA THR 86 HA THR 86 5.752 -7.849 1.663 619 HB THR 86 HB THR 86 4.287 -8.196 -0.935 620 HG1 THR 86 1HG THR 86 5.118 -10.525 -0.484 621 HG21 THR 86 1HG2 THR 86 6.459 -7.692 -1.450 622 HG22 THR 86 2HG2 THR 86 6.607 -9.440 -1.272 623 HG23 THR 86 3HG2 THR 86 7.088 -8.374 0.049 624 H ILE 87 H ILE 87 6.406 -5.810 1.674 625 HA ILE 87 HA ILE 87 4.736 -3.779 0.349 626 HB ILE 87 HB ILE 87 6.779 -3.420 2.545 627 HG12 ILE 87 1HG1 ILE 87 3.883 -2.770 2.848 628 HG13 ILE 87 2HG1 ILE 87 4.363 -4.462 2.917 629 HG21 ILE 87 1HG2 ILE 87 5.515 -1.100 2.546 630 HG22 ILE 87 2HG2 ILE 87 6.901 -1.396 1.498 631 HG23 ILE 87 3HG2 ILE 87 5.266 -1.507 0.848 632 HD11 ILE 87 1HD1 ILE 87 4.569 -4.004 5.106 633 HD12 ILE 87 2HD1 ILE 87 6.154 -3.411 4.611 634 HD13 ILE 87 3HD1 ILE 87 4.819 -2.280 4.835 635 H LYS 88 H LYS 88 5.524 -2.662 -1.324 636 HA LYS 88 HA LYS 88 8.412 -2.565 -1.772 637 HB2 LYS 88 1HB LYS 88 6.488 -3.361 -3.959 638 HB3 LYS 88 2HB LYS 88 8.242 -3.286 -4.061 639 HG2 LYS 88 1HG LYS 88 7.054 -5.084 -2.024 640 HG3 LYS 88 2HG LYS 88 6.948 -5.564 -3.719 641 HD2 LYS 88 1HD LYS 88 9.517 -4.886 -3.671 642 HD3 LYS 88 2HD LYS 88 9.327 -5.285 -1.962 643 HE2 LYS 88 1HE LYS 88 8.435 -7.486 -2.594 644 HE3 LYS 88 2HE LYS 88 8.668 -7.082 -4.295 645 HZ1 LYS 88 1HZ LYS 88 11.091 -6.704 -3.612 646 HZ2 LYS 88 2HZ LYS 88 10.545 -8.299 -3.755 647 HZ3 LYS 88 3HZ LYS 88 10.707 -7.594 -2.226 648 H ILE 89 H ILE 89 9.107 -0.675 -2.622 649 HA ILE 89 HA ILE 89 7.094 1.394 -3.056 650 HB ILE 89 HB ILE 89 10.086 1.542 -2.701 651 HG12 ILE 89 1HG1 ILE 89 9.183 3.019 -0.727 652 HG13 ILE 89 2HG1 ILE 89 7.693 2.119 -0.991 653 HG21 ILE 89 1HG2 ILE 89 8.112 3.623 -3.534 654 HG22 ILE 89 2HG2 ILE 89 9.513 4.075 -2.565 655 HG23 ILE 89 3HG2 ILE 89 9.739 3.314 -4.140 656 HD11 ILE 89 1HD1 ILE 89 10.134 1.317 0.328 657 HD12 ILE 89 2HD1 ILE 89 8.528 0.588 0.375 658 HD13 ILE 89 3HD1 ILE 89 9.650 0.169 -0.919 659 H PHE 90 H PHE 90 6.908 2.590 -4.927 660 HA PHE 90 HA PHE 90 8.527 1.736 -7.227 661 HB2 PHE 90 1HB PHE 90 5.523 2.087 -7.183 662 HB3 PHE 90 2HB PHE 90 6.480 1.843 -8.641 663 HD1 PHE 90 1HD PHE 90 5.343 0.280 -5.506 664 HD2 PHE 90 2HD PHE 90 7.240 -0.311 -9.270 665 HE1 PHE 90 1HE PHE 90 5.154 -2.156 -5.215 666 HE2 PHE 90 2HE PHE 90 7.053 -2.747 -8.985 667 HZ PHE 90 HZ PHE 90 6.009 -3.673 -6.957 668 H GLN 91 H GLN 91 9.507 3.411 -8.128 669 HA GLN 91 HA GLN 91 8.334 6.086 -7.779 670 HB2 GLN 91 1HB GLN 91 11.158 5.111 -7.995 671 HB3 GLN 91 2HB GLN 91 10.769 6.764 -8.453 672 HG2 GLN 91 1HG GLN 91 10.121 7.338 -6.287 673 HG3 GLN 91 2HG GLN 91 9.964 5.653 -5.792 674 HE21 GLN 91 1HE2 GLN 91 11.349 5.654 -4.106 675 HE22 GLN 91 2HE2 GLN 91 13.045 5.956 -4.241 676 H LYS 92 H LYS 92 8.456 7.585 -9.539 677 HA LYS 92 HA LYS 92 7.724 6.445 -12.028 678 HB2 LYS 92 1HB LYS 92 6.891 8.631 -11.201 679 HB3 LYS 92 2HB LYS 92 8.501 9.303 -11.418 680 HG2 LYS 92 1HG LYS 92 7.196 9.961 -13.285 681 HG3 LYS 92 2HG LYS 92 8.325 8.726 -13.845 682 HD2 LYS 92 1HD LYS 92 6.272 7.145 -13.210 683 HD3 LYS 92 2HD LYS 92 5.374 8.624 -13.560 684 HE2 LYS 92 1HE LYS 92 7.469 7.766 -15.486 685 HE3 LYS 92 2HE LYS 92 5.960 6.856 -15.445 686 HZ1 LYS 92 1HZ LYS 92 4.991 9.303 -15.511 687 HZ2 LYS 92 2HZ LYS 92 5.374 8.448 -16.919 688 HZ3 LYS 92 3HZ LYS 92 6.454 9.597 -16.307 689 H GLY 93 H GLY 93 9.274 5.262 -13.036 690 HA2 GLY 93 1HA GLY 93 10.973 5.187 -14.664 691 HA3 GLY 93 2HA GLY 93 11.544 6.754 -14.107 692 H GLU 94 H GLU 94 11.767 6.177 -11.359 693 HA GLU 94 HA GLU 94 14.331 4.971 -11.311 694 HB2 GLU 94 1HB GLU 94 12.440 6.007 -9.237 695 HB3 GLU 94 2HB GLU 94 13.821 5.044 -8.731 696 HG2 GLU 94 1HG GLU 94 15.200 6.689 -10.162 697 HG3 GLU 94 2HG GLU 94 13.775 7.721 -10.055 698 H SER 95 H SER 95 14.840 3.209 -9.647 699 HA SER 95 HA SER 95 13.269 0.886 -10.362 700 HB2 SER 95 1HB SER 95 15.902 1.155 -10.117 701 HB3 SER 95 2HB SER 95 15.553 0.709 -8.447 702 HG SER 95 HG SER 95 15.262 -0.783 -10.795 703 HA PRO 96 HA PRO 96 10.853 0.695 -6.691 704 HB2 PRO 96 1HB PRO 96 10.326 -1.968 -6.650 705 HB3 PRO 96 2HB PRO 96 9.568 -0.856 -7.796 706 HG2 PRO 96 1HG PRO 96 11.897 -2.692 -8.198 707 HG3 PRO 96 2HG PRO 96 10.526 -2.372 -9.276 708 HD2 PRO 96 1HD PRO 96 12.957 -1.233 -9.633 709 HD3 PRO 96 2HD PRO 96 11.444 -0.411 -10.067 710 H VAL 97 H VAL 97 10.825 -0.191 -4.537 711 HA VAL 97 HA VAL 97 13.466 -1.184 -3.691 712 HB VAL 97 HB VAL 97 11.445 0.270 -1.984 713 HG11 VAL 97 1HG1 VAL 97 12.797 -0.905 -0.520 714 HG12 VAL 97 2HG1 VAL 97 14.222 -0.750 -1.548 715 HG13 VAL 97 3HG1 VAL 97 13.633 0.642 -0.639 716 HG21 VAL 97 1HG2 VAL 97 12.204 1.767 -3.722 717 HG22 VAL 97 2HG2 VAL 97 12.956 2.217 -2.191 718 HG23 VAL 97 3HG2 VAL 97 13.884 1.335 -3.403 719 H ASP 98 H ASP 98 13.403 -2.488 -1.635 720 HA ASP 98 HA ASP 98 11.065 -4.284 -1.644 721 HB2 ASP 98 1HB ASP 98 13.988 -4.953 -1.259 722 HB3 ASP 98 2HB ASP 98 12.676 -6.083 -0.935 723 H TYR 99 H TYR 99 10.134 -2.974 0.024 724 HA TYR 99 HA TYR 99 11.453 -2.546 2.510 725 HB2 TYR 99 1HB TYR 99 9.534 -1.182 1.591 726 HB3 TYR 99 2HB TYR 99 8.473 -2.519 2.020 727 HD1 TYR 99 2HD TYR 99 8.963 -3.366 4.577 728 HD2 TYR 99 1HD TYR 99 9.542 0.573 3.075 729 HE1 TYR 99 2HE TYR 99 8.751 -2.471 6.858 730 HE2 TYR 99 1HE TYR 99 9.332 1.478 5.352 731 HH TYR 99 HH TYR 99 8.537 -0.610 8.094 732 H ASP 100 H ASP 100 12.015 -4.167 3.801 733 HA ASP 100 HA ASP 100 9.999 -6.210 4.427 734 HB2 ASP 100 1HB ASP 100 11.792 -7.924 4.503 735 HB3 ASP 100 2HB ASP 100 11.549 -7.264 2.888 736 H GLY 101 H GLY 101 10.563 -3.875 5.900 737 HA2 GLY 101 1HA GLY 101 11.979 -4.975 8.248 738 HA3 GLY 101 2HA GLY 101 11.904 -3.263 7.860 739 H GLY 102 H GLY 102 10.975 -2.604 9.773 740 HA2 GLY 102 1HA GLY 102 9.016 -3.698 11.287 741 HA3 GLY 102 2HA GLY 102 9.133 -1.965 11.016 742 H ARG 103 H ARG 103 6.946 -4.251 11.104 743 HA ARG 103 HA ARG 103 5.517 -3.433 8.671 744 HB2 ARG 103 1HB ARG 103 5.855 -5.883 9.145 745 HB3 ARG 103 2HB ARG 103 4.818 -5.690 10.552 746 HG2 ARG 103 1HG ARG 103 3.101 -4.750 8.864 747 HG3 ARG 103 2HG ARG 103 4.111 -5.543 7.653 748 HD2 ARG 103 1HD ARG 103 2.873 -6.889 10.052 749 HD3 ARG 103 2HD ARG 103 2.247 -6.965 8.406 750 HE ARG 103 HE ARG 103 4.758 -7.867 8.102 751 HH11 ARG 103 2HH1 ARG 103 2.229 -8.697 10.346 752 HH12 ARG 103 1HH1 ARG 103 2.746 -10.341 10.522 753 HH21 ARG 103 2HH2 ARG 103 5.448 -10.030 8.325 754 HH22 ARG 103 1HH2 ARG 103 4.577 -11.098 9.372 755 H THR 104 H THR 104 5.638 -1.509 10.613 756 HA THR 104 HA THR 104 2.863 -1.464 11.594 757 HB THR 104 HB THR 104 4.951 -0.005 13.144 758 HG1 THR 104 1HG THR 104 5.854 -1.781 13.846 759 HG21 THR 104 1HG2 THR 104 2.490 0.163 13.598 760 HG22 THR 104 2HG2 THR 104 3.452 -0.377 14.974 761 HG23 THR 104 3HG2 THR 104 2.516 -1.544 14.040 762 H ARG 105 H ARG 105 1.930 0.654 11.809 763 HA ARG 105 HA ARG 105 2.289 2.318 9.637 764 HB2 ARG 105 1HB ARG 105 0.701 3.705 10.579 765 HB3 ARG 105 2HB ARG 105 0.390 2.199 11.433 766 HG2 ARG 105 1HG ARG 105 1.793 3.033 13.303 767 HG3 ARG 105 2HG ARG 105 1.927 4.575 12.456 768 HD2 ARG 105 1HD ARG 105 -0.485 4.857 12.545 769 HD3 ARG 105 2HD ARG 105 -0.657 3.284 13.322 770 HE ARG 105 HE ARG 105 0.064 5.750 14.573 771 HH11 ARG 105 2HH1 ARG 105 0.444 2.293 14.727 772 HH12 ARG 105 1HH1 ARG 105 0.756 2.272 16.431 773 HH21 ARG 105 2HH2 ARG 105 0.473 5.736 16.817 774 HH22 ARG 105 1HH2 ARG 105 0.771 4.231 17.619 775 H SER 106 H SER 106 3.905 2.353 12.738 776 HA SER 106 HA SER 106 5.034 4.923 12.610 777 HB2 SER 106 1HB SER 106 5.640 2.414 14.105 778 HB3 SER 106 2HB SER 106 6.876 3.671 14.069 779 HG SER 106 HG SER 106 5.667 4.908 15.292 780 H ASP 107 H ASP 107 6.650 1.806 11.969 781 HA ASP 107 HA ASP 107 8.942 2.928 10.799 782 HB2 ASP 107 1HB ASP 107 7.824 0.192 10.178 783 HB3 ASP 107 2HB ASP 107 9.507 0.707 10.108 784 H ILE 108 H ILE 108 6.172 1.333 9.213 785 HA ILE 108 HA ILE 108 6.814 1.652 6.592 786 HB ILE 108 HB ILE 108 4.080 2.098 7.797 787 HG12 ILE 108 1HG1 ILE 108 4.987 -0.427 6.464 788 HG13 ILE 108 2HG1 ILE 108 5.446 -0.123 8.136 789 HG21 ILE 108 1HG2 ILE 108 3.190 2.225 5.743 790 HG22 ILE 108 2HG2 ILE 108 4.819 2.672 5.240 791 HG23 ILE 108 3HG2 ILE 108 4.278 1.001 5.090 792 HD11 ILE 108 1HD1 ILE 108 3.098 -1.277 7.233 793 HD12 ILE 108 2HD1 ILE 108 3.439 -0.706 8.867 794 HD13 ILE 108 3HD1 ILE 108 2.632 0.355 7.713 795 H VAL 109 H VAL 109 5.412 4.116 8.714 796 HA VAL 109 HA VAL 109 5.161 6.102 6.695 797 HB VAL 109 HB VAL 109 5.188 6.264 9.703 798 HG11 VAL 109 1HG1 VAL 109 4.736 8.509 7.739 799 HG12 VAL 109 2HG1 VAL 109 4.492 8.602 9.484 800 HG13 VAL 109 3HG1 VAL 109 6.110 8.344 8.831 801 HG21 VAL 109 1HG2 VAL 109 2.937 6.156 9.600 802 HG22 VAL 109 2HG2 VAL 109 2.853 7.096 8.110 803 HG23 VAL 109 3HG2 VAL 109 3.248 5.379 8.048 804 H SER 110 H SER 110 7.530 5.623 9.311 805 HA SER 110 HA SER 110 9.171 7.764 8.962 806 HB2 SER 110 1HB SER 110 9.610 6.159 10.708 807 HB3 SER 110 2HB SER 110 9.957 4.897 9.526 808 HG SER 110 HG SER 110 11.915 5.635 9.345 809 H ARG 111 H ARG 111 9.258 4.746 7.094 810 HA ARG 111 HA ARG 111 11.460 5.401 5.480 811 HB2 ARG 111 1HB ARG 111 10.389 3.128 5.746 812 HB3 ARG 111 2HB ARG 111 9.122 3.678 4.658 813 HG2 ARG 111 1HG ARG 111 10.639 2.444 3.346 814 HG3 ARG 111 2HG ARG 111 10.932 4.144 2.970 815 HD2 ARG 111 1HD ARG 111 13.085 3.481 3.272 816 HD3 ARG 111 2HD ARG 111 12.688 3.873 4.945 817 HE ARG 111 HE ARG 111 12.033 1.205 4.559 818 HH11 ARG 111 2HH1 ARG 111 14.880 3.207 4.486 819 HH12 ARG 111 1HH1 ARG 111 15.948 1.932 4.970 820 HH21 ARG 111 2HH2 ARG 111 13.429 -0.482 5.197 821 HH22 ARG 111 1HH2 ARG 111 15.122 -0.166 5.373 822 H ALA 112 H ALA 112 8.007 5.450 4.570 823 HA ALA 112 HA ALA 112 8.024 6.549 2.137 824 HB1 ALA 112 1HB ALA 112 5.873 7.323 2.490 825 HB2 ALA 112 2HB ALA 112 6.046 6.106 3.755 826 HB3 ALA 112 3HB ALA 112 6.212 7.817 4.149 827 H LEU 113 H LEU 113 8.732 8.299 5.112 828 HA LEU 113 HA LEU 113 8.855 10.878 3.924 829 HB2 LEU 113 1HB LEU 113 9.901 9.730 6.494 830 HB3 LEU 113 2HB LEU 113 10.203 11.404 6.030 831 HG LEU 113 HG LEU 113 7.451 10.218 6.366 832 HD11 LEU 113 1HD1 LEU 113 8.940 11.983 8.298 833 HD12 LEU 113 2HD1 LEU 113 8.792 10.235 8.472 834 HD13 LEU 113 3HD1 LEU 113 7.351 11.250 8.513 835 HD21 LEU 113 1HD2 LEU 113 8.489 12.746 5.387 836 HD22 LEU 113 2HD2 LEU 113 7.372 12.955 6.736 837 HD23 LEU 113 3HD2 LEU 113 6.859 12.079 5.293 838 H ASP 114 H ASP 114 11.346 8.510 4.830 839 HA ASP 114 HA ASP 114 13.629 9.883 4.199 840 HB2 ASP 114 1HB ASP 114 13.687 7.644 5.148 841 HB3 ASP 114 2HB ASP 114 13.027 6.968 3.662 842 H LEU 115 H LEU 115 11.353 8.360 1.994 843 HA LEU 115 HA LEU 115 12.998 8.927 -0.322 844 HB2 LEU 115 1HB LEU 115 10.153 7.941 -0.230 845 HB3 LEU 115 2HB LEU 115 11.256 7.880 -1.604 846 HG LEU 115 HG LEU 115 11.771 6.380 0.954 847 HD11 LEU 115 1HD1 LEU 115 9.630 5.912 -0.741 848 HD12 LEU 115 2HD1 LEU 115 10.331 4.777 0.411 849 HD13 LEU 115 3HD1 LEU 115 10.863 4.767 -1.270 850 HD21 LEU 115 1HD2 LEU 115 12.869 6.269 -1.843 851 HD22 LEU 115 2HD2 LEU 115 13.102 4.970 -0.673 852 HD23 LEU 115 3HD2 LEU 115 13.735 6.582 -0.339 853 H PHE 116 H PHE 116 9.902 10.031 1.020 854 HA PHE 116 HA PHE 116 9.111 11.807 -0.919 855 HB2 PHE 116 1HB PHE 116 7.603 11.501 0.845 856 HB3 PHE 116 2HB PHE 116 8.821 11.840 2.070 857 HD1 PHE 116 2HD PHE 116 6.597 13.339 -0.446 858 HD2 PHE 116 1HD PHE 116 9.269 14.060 2.788 859 HE1 PHE 116 2HE PHE 116 5.828 15.674 -0.336 860 HE2 PHE 116 1HE PHE 116 8.503 16.396 2.904 861 HZ PHE 116 HZ PHE 116 6.782 17.206 1.340 862 H SER 117 H SER 117 11.115 12.610 1.920 863 HA SER 117 HA SER 117 11.660 15.201 1.629 864 HB2 SER 117 1HB SER 117 12.765 13.673 3.271 865 HB3 SER 117 2HB SER 117 13.868 13.163 1.993 866 HG SER 117 HG SER 117 14.370 15.489 1.808 867 H ASP 118 H ASP 118 12.937 12.671 -0.463 868 HA ASP 118 HA ASP 118 14.369 14.637 -2.075 869 HB2 ASP 118 1HB ASP 118 15.308 12.336 -1.428 870 HB3 ASP 118 2HB ASP 118 14.197 11.681 -2.628 871 H ASN 119 H ASN 119 12.115 11.951 -2.752 872 HA ASN 119 HA ASN 119 11.451 12.486 -5.327 873 HB2 ASN 119 1HB ASN 119 9.895 11.382 -3.031 874 HB3 ASN 119 2HB ASN 119 9.032 11.740 -4.525 875 HD21 ASN 119 1HD2 ASN 119 11.699 9.918 -3.146 876 HD22 ASN 119 2HD2 ASN 119 11.718 8.679 -4.350 877 H ALA 120 H ALA 120 9.357 13.623 -2.675 878 HA ALA 120 HA ALA 120 7.808 15.386 -4.075 879 HB1 ALA 120 1HB ALA 120 8.464 14.951 -1.305 880 HB2 ALA 120 2HB ALA 120 8.235 16.669 -1.634 881 HB3 ALA 120 3HB ALA 120 6.958 15.518 -2.027 882 HA PRO 121 HA PRO 121 10.112 18.941 -5.220 883 HB2 PRO 121 1HB PRO 121 8.547 21.020 -4.444 884 HB3 PRO 121 2HB PRO 121 8.137 19.964 -5.801 885 HG2 PRO 121 1HG PRO 121 7.127 19.906 -2.984 886 HG3 PRO 121 2HG PRO 121 6.227 19.710 -4.499 887 HD2 PRO 121 1HD PRO 121 6.964 17.608 -2.960 888 HD3 PRO 121 2HD PRO 121 6.847 17.502 -4.728 889 HA PRO 122 HA PRO 122 12.579 20.280 -1.814 890 HB2 PRO 122 1HB PRO 122 13.856 22.357 -3.007 891 HB3 PRO 122 2HB PRO 122 14.234 20.667 -3.360 892 HG2 PRO 122 1HG PRO 122 12.529 22.588 -4.898 893 HG3 PRO 122 2HG PRO 122 13.724 21.423 -5.499 894 HD2 PRO 122 1HD PRO 122 11.060 20.941 -5.563 895 HD3 PRO 122 2HD PRO 122 12.259 19.650 -5.346 896 HA PRO 123 HA PRO 123 10.709 23.685 0.244 897 HB2 PRO 123 1HB PRO 123 12.813 24.883 1.473 898 HB3 PRO 123 2HB PRO 123 12.161 23.323 1.988 899 HG2 PRO 123 1HG PRO 123 14.554 23.907 0.287 900 HG3 PRO 123 2HG PRO 123 14.375 22.729 1.600 901 HD2 PRO 123 1HD PRO 123 14.241 22.030 -1.012 902 HD3 PRO 123 2HD PRO 123 13.311 21.195 0.248 903 H GLU 124 H GLU 124 11.544 26.194 0.824 904 HA GLU 124 HA GLU 124 11.764 27.421 -1.838 905 HB2 GLU 124 1HB GLU 124 9.734 27.869 -0.369 906 HB3 GLU 124 2HB GLU 124 10.814 28.770 0.686 907 HG2 GLU 124 1HG GLU 124 9.843 30.392 -0.665 908 HG3 GLU 124 2HG GLU 124 11.429 30.123 -1.385 909 H LEU 125 H LEU 125 14.077 26.474 -0.449 910 HA LEU 125 HA LEU 125 15.690 28.826 -0.595 911 HB2 LEU 125 1HB LEU 125 16.378 29.073 1.608 912 HB3 LEU 125 2HB LEU 125 14.635 28.848 1.737 913 HG LEU 125 HG LEU 125 15.623 27.610 3.496 914 HD11 LEU 125 1HD1 LEU 125 13.847 26.511 1.985 915 HD12 LEU 125 2HD1 LEU 125 14.714 25.505 3.145 916 HD13 LEU 125 3HD1 LEU 125 15.171 25.481 1.442 917 HD21 LEU 125 1HD2 LEU 125 17.549 26.415 3.402 918 HD22 LEU 125 2HD2 LEU 125 17.869 27.518 2.063 919 HD23 LEU 125 3HD2 LEU 125 17.274 25.888 1.741 920 H LEU 126 H LEU 126 18.008 28.330 -0.214 921 HA LEU 126 HA LEU 126 18.619 25.709 -1.285 922 HB2 LEU 126 1HB LEU 126 20.250 28.173 -0.745 923 HB3 LEU 126 2HB LEU 126 20.989 26.652 -1.240 924 HG LEU 126 HG LEU 126 18.848 27.949 -2.894 925 HD11 LEU 126 1HD1 LEU 126 20.435 29.198 -4.102 926 HD12 LEU 126 2HD1 LEU 126 21.790 28.416 -3.287 927 HD13 LEU 126 3HD1 LEU 126 20.759 29.541 -2.402 928 HD21 LEU 126 1HD2 LEU 126 19.270 26.306 -4.333 929 HD22 LEU 126 2HD2 LEU 126 20.203 25.534 -3.051 930 HD23 LEU 126 3HD2 LEU 126 21.011 26.567 -4.231 931 H GLU 127 H GLU 127 19.288 24.020 -0.138 932 HA GLU 127 HA GLU 127 20.446 24.488 2.526 933 HB2 GLU 127 1HB GLU 127 18.028 23.736 2.599 934 HB3 GLU 127 2HB GLU 127 18.561 22.218 1.892 935 HG2 GLU 127 1HG GLU 127 18.383 21.897 4.233 936 HG3 GLU 127 2HG GLU 127 20.099 21.938 3.833 937 H SER 128 H SER 128 19.865 21.910 0.128 938 HA SER 128 HA SER 128 22.696 21.167 0.355 939 HB2 SER 128 1HB SER 128 21.093 19.665 1.720 940 HB3 SER 128 2HB SER 128 20.560 19.054 0.154 941 HG SER 128 HG SER 128 22.195 17.736 0.597 942 H GLY 129 H GLY 129 23.634 20.352 -1.512 943 HA2 GLY 129 1HA GLY 129 23.045 21.305 -3.940 944 HA3 GLY 129 2HA GLY 129 23.770 19.716 -3.745 945 HA PRO 130 HA PRO 130 18.975 19.470 -4.642 946 HB2 PRO 130 1HB PRO 130 18.300 21.203 -6.620 947 HB3 PRO 130 2HB PRO 130 18.160 21.602 -4.904 948 HG2 PRO 130 1HG PRO 130 20.317 22.328 -6.849 949 HG3 PRO 130 2HG PRO 130 19.540 23.335 -5.613 950 HD2 PRO 130 1HD PRO 130 21.971 22.199 -5.250 951 HD3 PRO 130 2HD PRO 130 20.833 22.468 -3.914 952 H SER 131 H SER 131 17.871 18.880 -6.808 953 HA SER 131 HA SER 131 19.843 18.059 -8.820 954 HB2 SER 131 1HB SER 131 19.408 16.164 -7.231 955 HB3 SER 131 2HB SER 131 17.718 16.198 -7.733 956 HG SER 131 HG SER 131 18.413 15.743 -9.856 957 H SER 132 H SER 132 18.961 17.628 -10.906 958 HA SER 132 HA SER 132 16.233 18.661 -11.309 959 HB2 SER 132 1HB SER 132 18.670 19.257 -13.004 960 HB3 SER 132 2HB SER 132 17.022 19.746 -13.394 961 HG SER 132 HG SER 132 18.553 20.543 -11.141 962 H GLY 133 H GLY 133 15.603 18.193 -13.746 963 HA2 GLY 133 1HA GLY 133 16.293 15.363 -14.255 964 HA3 GLY 133 2HA GLY 133 14.680 16.020 -14.488 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -15.892 -0.740 -4.358 2 HA2 GLY 1 1HA GLY 1 -14.067 0.603 -3.433 3 HA3 GLY 1 2HA GLY 1 -15.596 1.413 -3.123 4 H SER 2 H SER 2 -14.996 2.443 -1.255 5 HA SER 2 HA SER 2 -14.076 0.769 0.976 6 HB2 SER 2 1HB SER 2 -13.919 3.727 0.431 7 HB3 SER 2 2HB SER 2 -13.671 3.080 2.052 8 HG SER 2 HG SER 2 -12.257 2.006 -0.129 9 H SER 3 H SER 3 -14.891 1.693 3.182 10 HA SER 3 HA SER 3 -17.806 1.629 3.043 11 HB2 SER 3 1HB SER 3 -17.742 1.068 5.403 12 HB3 SER 3 2HB SER 3 -16.596 0.043 4.539 13 HG SER 3 HG SER 3 -14.987 1.681 5.173 14 H GLY 4 H GLY 4 -15.234 3.529 4.611 15 HA2 GLY 4 1HA GLY 4 -16.171 6.038 4.107 16 HA3 GLY 4 2HA GLY 4 -17.081 5.537 5.524 17 H SER 5 H SER 5 -15.479 4.371 7.187 18 HA SER 5 HA SER 5 -13.314 6.314 7.632 19 HB2 SER 5 1HB SER 5 -13.527 5.783 10.019 20 HB3 SER 5 2HB SER 5 -15.075 6.307 9.356 21 HG SER 5 HG SER 5 -15.807 4.241 9.409 22 H SER 6 H SER 6 -12.806 4.216 5.897 23 HA SER 6 HA SER 6 -11.501 2.075 7.327 24 HB2 SER 6 1HB SER 6 -11.978 2.753 4.460 25 HB3 SER 6 2HB SER 6 -10.652 1.656 4.843 26 HG SER 6 HG SER 6 -12.898 1.013 6.214 27 H GLY 7 H GLY 7 -10.445 4.745 5.215 28 HA2 GLY 7 1HA GLY 7 -8.417 5.862 6.437 29 HA3 GLY 7 2HA GLY 7 -7.682 4.304 6.091 30 H ASP 8 H ASP 8 -6.132 5.740 4.944 31 HA ASP 8 HA ASP 8 -7.110 6.675 2.345 32 HB2 ASP 8 1HB ASP 8 -5.603 8.064 3.947 33 HB3 ASP 8 2HB ASP 8 -4.300 7.047 3.339 34 H VAL 9 H VAL 9 -6.901 3.859 2.870 35 HA VAL 9 HA VAL 9 -4.525 2.959 1.461 36 HB VAL 9 HB VAL 9 -6.867 1.340 2.472 37 HG11 VAL 9 1HG1 VAL 9 -5.474 0.321 0.658 38 HG12 VAL 9 2HG1 VAL 9 -4.092 0.412 1.751 39 HG13 VAL 9 3HG1 VAL 9 -5.487 -0.583 2.172 40 HG21 VAL 9 1HG2 VAL 9 -5.414 0.768 4.361 41 HG22 VAL 9 2HG2 VAL 9 -4.187 1.879 3.752 42 HG23 VAL 9 3HG2 VAL 9 -5.744 2.500 4.298 43 H ILE 10 H ILE 10 -4.624 3.459 -0.666 44 HA ILE 10 HA ILE 10 -7.052 3.229 -2.187 45 HB ILE 10 HB ILE 10 -4.221 3.659 -3.148 46 HG12 ILE 10 1HG1 ILE 10 -6.392 5.730 -2.842 47 HG13 ILE 10 2HG1 ILE 10 -5.234 5.387 -1.561 48 HG21 ILE 10 1HG2 ILE 10 -6.697 3.200 -4.544 49 HG22 ILE 10 2HG2 ILE 10 -6.046 4.793 -4.930 50 HG23 ILE 10 3HG2 ILE 10 -5.060 3.353 -5.183 51 HD11 ILE 10 1HD1 ILE 10 -4.841 6.738 -4.168 52 HD12 ILE 10 2HD1 ILE 10 -4.192 7.128 -2.575 53 HD13 ILE 10 3HD1 ILE 10 -3.503 5.799 -3.507 54 H GLU 11 H GLU 11 -7.679 1.629 -3.543 55 HA GLU 11 HA GLU 11 -6.119 -0.849 -3.452 56 HB2 GLU 11 1HB GLU 11 -8.518 -0.864 -2.739 57 HB3 GLU 11 2HB GLU 11 -8.964 -0.450 -4.389 58 HG2 GLU 11 1HG GLU 11 -8.237 -2.518 -5.222 59 HG3 GLU 11 2HG GLU 11 -7.346 -2.892 -3.748 60 H LEU 12 H LEU 12 -5.070 -1.590 -5.178 61 HA LEU 12 HA LEU 12 -5.723 -0.432 -7.809 62 HB2 LEU 12 1HB LEU 12 -3.013 -1.353 -6.867 63 HB3 LEU 12 2HB LEU 12 -3.391 -0.588 -8.408 64 HG LEU 12 HG LEU 12 -3.732 0.793 -5.753 65 HD11 LEU 12 1HD1 LEU 12 -1.327 -0.008 -6.621 66 HD12 LEU 12 2HD1 LEU 12 -1.591 1.507 -5.758 67 HD13 LEU 12 3HD1 LEU 12 -1.476 1.504 -7.517 68 HD21 LEU 12 1HD2 LEU 12 -3.253 2.213 -8.307 69 HD22 LEU 12 2HD2 LEU 12 -4.254 2.664 -6.927 70 HD23 LEU 12 3HD2 LEU 12 -4.835 1.466 -8.084 71 H THR 13 H THR 13 -4.991 -1.832 -9.655 72 HA THR 13 HA THR 13 -5.169 -4.695 -9.005 73 HB THR 13 HB THR 13 -6.597 -5.004 -11.042 74 HG1 THR 13 1HG THR 13 -7.436 -2.361 -10.942 75 HG21 THR 13 1HG2 THR 13 -7.911 -5.198 -9.183 76 HG22 THR 13 2HG2 THR 13 -8.639 -3.751 -9.881 77 HG23 THR 13 3HG2 THR 13 -7.468 -3.605 -8.570 78 H ASP 14 H ASP 14 -4.688 -6.030 -11.063 79 HA ASP 14 HA ASP 14 -2.081 -5.731 -11.813 80 HB2 ASP 14 1HB ASP 14 -2.591 -7.196 -13.747 81 HB3 ASP 14 2HB ASP 14 -3.314 -7.777 -12.249 82 H ASP 15 H ASP 15 -4.918 -4.331 -13.368 83 HA ASP 15 HA ASP 15 -3.237 -3.033 -15.374 84 HB2 ASP 15 1HB ASP 15 -5.310 -4.077 -16.151 85 HB3 ASP 15 2HB ASP 15 -6.245 -3.074 -15.046 86 H SER 16 H SER 16 -5.358 -2.256 -12.665 87 HA SER 16 HA SER 16 -4.966 0.591 -12.993 88 HB2 SER 16 1HB SER 16 -7.047 -0.721 -12.017 89 HB3 SER 16 2HB SER 16 -6.146 -0.582 -10.508 90 HG SER 16 HG SER 16 -7.680 1.180 -11.126 91 H PHE 17 H PHE 17 -2.764 -1.435 -12.296 92 HA PHE 17 HA PHE 17 -1.826 -0.252 -9.783 93 HB2 PHE 17 1HB PHE 17 -1.631 -2.572 -9.609 94 HB3 PHE 17 2HB PHE 17 -1.127 -2.753 -11.287 95 HD1 PHE 17 2HD PHE 17 1.168 -1.617 -11.877 96 HD2 PHE 17 1HD PHE 17 -0.049 -2.734 -7.954 97 HE1 PHE 17 2HE PHE 17 3.522 -1.665 -11.164 98 HE2 PHE 17 1HE PHE 17 2.304 -2.783 -7.234 99 HZ PHE 17 HZ PHE 17 4.093 -2.249 -8.840 100 H ASP 18 H ASP 18 -1.028 -0.586 -13.180 101 HA ASP 18 HA ASP 18 1.489 0.832 -12.858 102 HB2 ASP 18 1HB ASP 18 0.143 -0.072 -15.411 103 HB3 ASP 18 2HB ASP 18 1.820 0.431 -15.221 104 H LYS 19 H LYS 19 -1.529 1.307 -14.698 105 HA LYS 19 HA LYS 19 -0.989 3.882 -15.615 106 HB2 LYS 19 1HB LYS 19 -3.288 4.044 -16.154 107 HB3 LYS 19 2HB LYS 19 -2.880 2.341 -16.316 108 HG2 LYS 19 1HG LYS 19 -4.823 2.143 -15.166 109 HG3 LYS 19 2HG LYS 19 -3.708 2.279 -13.804 110 HD2 LYS 19 1HD LYS 19 -4.382 4.407 -13.290 111 HD3 LYS 19 2HD LYS 19 -4.838 4.780 -14.954 112 HE2 LYS 19 1HE LYS 19 -6.375 2.714 -13.448 113 HE3 LYS 19 2HE LYS 19 -6.665 4.419 -13.105 114 HZ1 LYS 19 1HZ LYS 19 -8.114 4.215 -14.790 115 HZ2 LYS 19 2HZ LYS 19 -7.347 2.861 -15.453 116 HZ3 LYS 19 3HZ LYS 19 -6.749 4.412 -15.769 117 H ASN 20 H ASN 20 -1.525 2.829 -12.455 118 HA ASN 20 HA ASN 20 -2.392 5.491 -11.564 119 HB2 ASN 20 1HB ASN 20 -2.541 2.755 -10.338 120 HB3 ASN 20 2HB ASN 20 -2.615 4.186 -9.313 121 HD21 ASN 20 1HD2 ASN 20 -4.261 2.215 -11.589 122 HD22 ASN 20 2HD2 ASN 20 -5.780 3.038 -11.536 123 H VAL 21 H VAL 21 0.219 3.192 -11.416 124 HA VAL 21 HA VAL 21 1.681 4.887 -9.519 125 HB VAL 21 HB VAL 21 2.211 2.084 -10.500 126 HG11 VAL 21 1HG1 VAL 21 4.124 2.075 -8.948 127 HG12 VAL 21 2HG1 VAL 21 4.335 3.226 -10.269 128 HG13 VAL 21 3HG1 VAL 21 3.880 3.798 -8.664 129 HG21 VAL 21 1HG2 VAL 21 1.098 1.420 -8.695 130 HG22 VAL 21 2HG2 VAL 21 2.109 2.422 -7.654 131 HG23 VAL 21 3HG2 VAL 21 0.657 3.100 -8.390 132 H LEU 22 H LEU 22 2.548 2.984 -12.411 133 HA LEU 22 HA LEU 22 4.871 4.347 -13.045 134 HB2 LEU 22 1HB LEU 22 2.917 3.081 -14.961 135 HB3 LEU 22 2HB LEU 22 4.600 3.471 -15.311 136 HG LEU 22 HG LEU 22 3.510 1.312 -13.527 137 HD11 LEU 22 1HD1 LEU 22 4.798 1.483 -16.142 138 HD12 LEU 22 2HD1 LEU 22 3.806 0.203 -15.444 139 HD13 LEU 22 3HD1 LEU 22 5.525 0.291 -15.064 140 HD21 LEU 22 1HD2 LEU 22 6.381 2.220 -13.694 141 HD22 LEU 22 2HD2 LEU 22 5.753 0.866 -12.755 142 HD23 LEU 22 3HD2 LEU 22 5.305 2.518 -12.329 143 H ASP 23 H ASP 23 1.561 4.985 -14.154 144 HA ASP 23 HA ASP 23 2.349 7.277 -15.699 145 HB2 ASP 23 1HB ASP 23 0.338 5.746 -16.136 146 HB3 ASP 23 2HB ASP 23 -0.462 6.621 -14.834 147 H SER 24 H SER 24 2.463 6.904 -12.545 148 HA SER 24 HA SER 24 1.479 9.623 -11.968 149 HB2 SER 24 1HB SER 24 0.134 7.949 -10.791 150 HB3 SER 24 2HB SER 24 1.593 7.248 -10.092 151 HG SER 24 HG SER 24 1.893 9.082 -8.891 152 H GLU 25 H GLU 25 3.166 10.945 -11.836 153 HA GLU 25 HA GLU 25 5.821 10.174 -11.405 154 HB2 GLU 25 1HB GLU 25 6.303 12.549 -11.146 155 HB3 GLU 25 2HB GLU 25 5.186 12.290 -12.478 156 HG2 GLU 25 1HG GLU 25 3.364 13.125 -11.259 157 HG3 GLU 25 2HG GLU 25 4.238 13.026 -9.731 158 H ASP 26 H ASP 26 3.255 10.550 -9.205 159 HA ASP 26 HA ASP 26 4.870 11.172 -6.902 160 HB2 ASP 26 1HB ASP 26 2.092 10.040 -6.759 161 HB3 ASP 26 2HB ASP 26 2.879 11.184 -5.675 162 H VAL 27 H VAL 27 5.133 9.768 -5.067 163 HA VAL 27 HA VAL 27 5.976 7.150 -5.807 164 HB VAL 27 HB VAL 27 5.713 8.453 -3.096 165 HG11 VAL 27 1HG1 VAL 27 7.213 6.586 -2.343 166 HG12 VAL 27 2HG1 VAL 27 5.559 6.106 -2.728 167 HG13 VAL 27 3HG1 VAL 27 6.862 5.779 -3.871 168 HG21 VAL 27 1HG2 VAL 27 8.356 7.768 -4.159 169 HG22 VAL 27 2HG2 VAL 27 7.492 8.988 -5.093 170 HG23 VAL 27 3HG2 VAL 27 7.796 9.245 -3.375 171 H TRP 28 H TRP 28 5.099 5.167 -5.334 172 HA TRP 28 HA TRP 28 2.431 5.139 -4.096 173 HB2 TRP 28 1HB TRP 28 3.278 3.993 -6.735 174 HB3 TRP 28 2HB TRP 28 1.985 3.223 -5.819 175 HD1 TRP 28 HD TRP 28 2.789 6.432 -7.744 176 HE1 TRP 28 1HE TRP 28 0.585 7.664 -8.242 177 HE3 TRP 28 3HE TRP 28 -0.399 3.542 -4.984 178 HZ2 TRP 28 2HZ TRP 28 -2.144 7.441 -7.556 179 HZ3 TRP 28 3HZ TRP 28 -2.791 4.119 -4.958 180 HH2 TRP 28 HH TRP 28 -3.643 6.029 -6.218 181 H MET 29 H MET 29 2.611 3.990 -2.291 182 HA MET 29 HA MET 29 4.563 1.835 -2.114 183 HB2 MET 29 1HB MET 29 2.909 3.348 -0.126 184 HB3 MET 29 2HB MET 29 3.609 1.798 0.319 185 HG2 MET 29 1HG MET 29 5.838 2.681 -0.289 186 HG3 MET 29 2HG MET 29 5.094 4.249 -0.593 187 HE1 MET 29 1HE MET 29 7.009 2.252 1.410 188 HE2 MET 29 2HE MET 29 7.039 2.978 3.017 189 HE3 MET 29 3HE MET 29 5.900 1.679 2.657 190 H VAL 30 H VAL 30 3.813 0.042 -3.115 191 HA VAL 30 HA VAL 30 1.054 -0.801 -2.749 192 HB VAL 30 HB VAL 30 3.308 -1.980 -4.374 193 HG11 VAL 30 1HG1 VAL 30 0.896 -3.063 -5.245 194 HG12 VAL 30 2HG1 VAL 30 2.176 -3.896 -4.361 195 HG13 VAL 30 3HG1 VAL 30 0.830 -3.166 -3.486 196 HG21 VAL 30 1HG2 VAL 30 2.678 -0.207 -5.641 197 HG22 VAL 30 2HG2 VAL 30 1.424 -1.334 -6.157 198 HG23 VAL 30 3HG2 VAL 30 1.069 -0.125 -4.924 199 H GLU 31 H GLU 31 0.412 -2.216 -1.265 200 HA GLU 31 HA GLU 31 2.444 -3.939 -0.004 201 HB2 GLU 31 1HB GLU 31 1.685 -2.177 1.527 202 HB3 GLU 31 2HB GLU 31 0.018 -2.683 1.291 203 HG2 GLU 31 1HG GLU 31 0.313 -4.653 2.485 204 HG3 GLU 31 2HG GLU 31 2.067 -4.599 2.326 205 H PHE 32 H PHE 32 2.136 -5.939 -0.735 206 HA PHE 32 HA PHE 32 -0.452 -6.882 -1.567 207 HB2 PHE 32 1HB PHE 32 2.163 -8.378 -1.284 208 HB3 PHE 32 2HB PHE 32 0.722 -8.973 -2.101 209 HD1 PHE 32 2HD PHE 32 3.301 -6.315 -2.204 210 HD2 PHE 32 1HD PHE 32 0.331 -8.482 -4.349 211 HE1 PHE 32 2HE PHE 32 4.075 -5.292 -4.303 212 HE2 PHE 32 1HE PHE 32 1.102 -7.463 -6.452 213 HZ PHE 32 HZ PHE 32 2.976 -5.865 -6.431 214 H TYR 33 H TYR 33 -1.861 -8.099 -0.458 215 HA TYR 33 HA TYR 33 -1.009 -9.459 1.980 216 HB2 TYR 33 1HB TYR 33 -2.513 -8.399 3.418 217 HB3 TYR 33 2HB TYR 33 -1.882 -7.067 2.455 218 HD1 TYR 33 1HD TYR 33 -4.741 -9.454 2.615 219 HD2 TYR 33 2HD TYR 33 -3.355 -5.629 1.370 220 HE1 TYR 33 1HE TYR 33 -7.035 -8.836 1.980 221 HE2 TYR 33 2HE TYR 33 -5.646 -5.000 0.733 222 HH TYR 33 HH TYR 33 -7.777 -5.613 0.681 223 H ALA 34 H ALA 34 -2.701 -10.919 2.827 224 HA ALA 34 HA ALA 34 -4.520 -11.831 0.694 225 HB1 ALA 34 1HB ALA 34 -4.140 -14.148 1.693 226 HB2 ALA 34 2HB ALA 34 -2.829 -13.454 0.738 227 HB3 ALA 34 3HB ALA 34 -2.740 -13.440 2.500 228 HA PRO 35 HA PRO 35 -7.721 -11.367 3.694 229 HB2 PRO 35 1HB PRO 35 -9.610 -12.900 2.489 230 HB3 PRO 35 2HB PRO 35 -9.165 -11.291 1.908 231 HG2 PRO 35 1HG PRO 35 -8.285 -13.975 0.916 232 HG3 PRO 35 2HG PRO 35 -8.765 -12.542 -0.012 233 HD2 PRO 35 1HD PRO 35 -6.174 -13.222 0.383 234 HD3 PRO 35 2HD PRO 35 -6.707 -11.535 0.242 235 H TRP 36 H TRP 36 -6.155 -14.300 2.977 236 HA TRP 36 HA TRP 36 -7.518 -15.643 5.218 237 HB2 TRP 36 1HB TRP 36 -6.396 -17.732 4.076 238 HB3 TRP 36 2HB TRP 36 -7.909 -17.079 3.451 239 HD1 TRP 36 HD TRP 36 -7.936 -16.679 0.927 240 HE1 TRP 36 1HE TRP 36 -6.164 -16.379 -0.915 241 HE3 TRP 36 3HE TRP 36 -3.732 -16.702 3.836 242 HZ2 TRP 36 2HZ TRP 36 -3.355 -16.180 -1.109 243 HZ3 TRP 36 3HZ TRP 36 -1.542 -16.452 2.744 244 HH2 TRP 36 HH TRP 36 -1.359 -16.197 0.323 245 H CYS 37 H CYS 37 -5.157 -13.752 5.135 246 HA CYS 37 HA CYS 37 -3.256 -15.515 6.535 247 HB2 CYS 37 1HB CYS 37 -2.570 -14.417 4.256 248 HB3 CYS 37 2HB CYS 37 -2.367 -12.967 5.231 249 HG CYS 37 HG CYS 37 0.075 -14.461 4.682 250 H GLY 38 H GLY 38 -3.109 -15.087 8.630 251 HA2 GLY 38 1HA GLY 38 -4.392 -12.906 9.868 252 HA3 GLY 38 2HA GLY 38 -3.242 -13.987 10.640 253 H HIS 39 H HIS 39 -0.940 -13.501 9.252 254 HA HIS 39 HA HIS 39 0.188 -11.348 10.497 255 HB2 HIS 39 1HB HIS 39 0.947 -12.435 7.777 256 HB3 HIS 39 2HB HIS 39 1.977 -11.444 8.805 257 HD1 HIS 39 1HD HIS 39 2.963 -12.575 10.936 258 HD2 HIS 39 2HD HIS 39 0.802 -15.124 8.467 259 HE1 HIS 39 1HE HIS 39 3.527 -14.901 11.711 260 HE2 HIS 39 2HE HIS 39 2.274 -16.427 10.148 261 H CYS 40 H CYS 40 -1.935 -11.308 7.803 262 HA CYS 40 HA CYS 40 -1.206 -8.584 7.054 263 HB2 CYS 40 1HB CYS 40 -3.171 -10.560 5.887 264 HB3 CYS 40 2HB CYS 40 -2.992 -8.912 5.299 265 HG CYS 40 HG CYS 40 -0.971 -11.572 4.864 266 H LYS 41 H LYS 41 -4.091 -10.370 8.131 267 HA LYS 41 HA LYS 41 -5.931 -8.378 8.334 268 HB2 LYS 41 1HB LYS 41 -7.131 -9.768 9.703 269 HB3 LYS 41 2HB LYS 41 -5.960 -10.921 9.077 270 HG2 LYS 41 1HG LYS 41 -4.649 -10.774 11.072 271 HG3 LYS 41 2HG LYS 41 -5.644 -9.450 11.683 272 HD2 LYS 41 1HD LYS 41 -6.940 -12.050 11.004 273 HD3 LYS 41 2HD LYS 41 -6.030 -11.911 12.509 274 HE2 LYS 41 1HE LYS 41 -7.402 -9.930 13.094 275 HE3 LYS 41 2HE LYS 41 -8.359 -10.203 11.639 276 HZ1 LYS 41 1HZ LYS 41 -8.066 -12.475 13.430 277 HZ2 LYS 41 2HZ LYS 41 -9.416 -11.953 12.554 278 HZ3 LYS 41 3HZ LYS 41 -9.007 -11.193 14.009 279 H ASN 42 H ASN 42 -3.271 -9.021 10.559 280 HA ASN 42 HA ASN 42 -4.053 -7.052 12.471 281 HB2 ASN 42 1HB ASN 42 -1.920 -7.474 13.521 282 HB3 ASN 42 2HB ASN 42 -2.600 -9.012 13.000 283 HD21 ASN 42 1HD2 ASN 42 -0.351 -6.468 12.042 284 HD22 ASN 42 2HD2 ASN 42 0.725 -7.502 11.171 285 H LEU 43 H LEU 43 -2.122 -7.050 9.571 286 HA LEU 43 HA LEU 43 -0.976 -4.447 10.088 287 HB2 LEU 43 1HB LEU 43 0.358 -6.003 8.863 288 HB3 LEU 43 2HB LEU 43 -0.933 -6.272 7.694 289 HG LEU 43 HG LEU 43 -0.622 -3.771 7.120 290 HD11 LEU 43 1HD1 LEU 43 0.811 -3.245 9.039 291 HD12 LEU 43 2HD1 LEU 43 1.611 -2.903 7.505 292 HD13 LEU 43 3HD1 LEU 43 2.037 -4.351 8.419 293 HD21 LEU 43 1HD2 LEU 43 1.647 -4.609 5.886 294 HD22 LEU 43 2HD2 LEU 43 0.012 -4.982 5.340 295 HD23 LEU 43 3HD2 LEU 43 0.902 -6.148 6.321 296 H GLU 44 H GLU 44 -3.836 -5.705 8.692 297 HA GLU 44 HA GLU 44 -4.561 -3.990 6.712 298 HB2 GLU 44 1HB GLU 44 -6.190 -5.553 7.129 299 HB3 GLU 44 2HB GLU 44 -6.086 -5.355 8.873 300 HG2 GLU 44 1HG GLU 44 -8.185 -4.513 8.264 301 HG3 GLU 44 2HG GLU 44 -7.173 -3.099 8.554 302 HA PRO 45 HA PRO 45 -6.070 -0.693 9.918 303 HB2 PRO 45 1HB PRO 45 -5.245 -1.007 12.485 304 HB3 PRO 45 2HB PRO 45 -6.748 -1.702 11.867 305 HG2 PRO 45 1HG PRO 45 -4.085 -3.007 12.273 306 HG3 PRO 45 2HG PRO 45 -5.703 -3.627 12.648 307 HD2 PRO 45 1HD PRO 45 -4.336 -4.371 10.433 308 HD3 PRO 45 2HD PRO 45 -6.107 -4.252 10.467 309 H GLU 46 H GLU 46 -2.937 -2.098 10.879 310 HA GLU 46 HA GLU 46 -1.604 0.229 11.552 311 HB2 GLU 46 1HB GLU 46 -0.607 -2.334 10.319 312 HB3 GLU 46 2HB GLU 46 0.481 -1.036 10.791 313 HG2 GLU 46 1HG GLU 46 -0.036 -3.028 12.408 314 HG3 GLU 46 2HG GLU 46 0.168 -1.387 13.019 315 H TRP 47 H TRP 47 -1.944 -1.278 8.361 316 HA TRP 47 HA TRP 47 -0.334 0.581 6.971 317 HB2 TRP 47 1HB TRP 47 -1.034 -1.687 6.133 318 HB3 TRP 47 2HB TRP 47 -2.636 -1.017 5.837 319 HD1 TRP 47 HD TRP 47 -3.002 0.212 3.587 320 HE1 TRP 47 1HE TRP 47 -1.491 0.839 1.601 321 HE3 TRP 47 3HE TRP 47 1.541 -0.948 5.625 322 HZ2 TRP 47 2HZ TRP 47 1.263 0.842 0.980 323 HZ3 TRP 47 3HZ TRP 47 3.565 -0.603 4.269 324 HH2 TRP 47 HH TRP 47 3.426 0.272 1.994 325 H ALA 48 H ALA 48 -3.822 0.423 7.570 326 HA ALA 48 HA ALA 48 -4.640 2.558 5.989 327 HB1 ALA 48 1HB ALA 48 -6.573 1.796 6.768 328 HB2 ALA 48 2HB ALA 48 -5.764 0.952 8.088 329 HB3 ALA 48 3HB ALA 48 -6.244 2.637 8.283 330 H ALA 49 H ALA 49 -3.551 2.560 9.371 331 HA ALA 49 HA ALA 49 -3.898 5.326 9.806 332 HB1 ALA 49 1HB ALA 49 -3.703 3.793 11.660 333 HB2 ALA 49 2HB ALA 49 -2.063 3.364 11.173 334 HB3 ALA 49 3HB ALA 49 -2.413 4.993 11.750 335 H ALA 50 H ALA 50 -1.050 3.421 8.865 336 HA ALA 50 HA ALA 50 0.843 5.448 8.833 337 HB1 ALA 50 1HB ALA 50 0.663 2.761 7.914 338 HB2 ALA 50 2HB ALA 50 1.392 3.743 6.643 339 HB3 ALA 50 3HB ALA 50 2.104 3.718 8.256 340 H ALA 51 H ALA 51 -1.444 4.477 6.311 341 HA ALA 51 HA ALA 51 -0.539 6.042 4.213 342 HB1 ALA 51 1HB ALA 51 -2.438 4.317 4.271 343 HB2 ALA 51 2HB ALA 51 -3.467 5.670 4.745 344 HB3 ALA 51 3HB ALA 51 -2.614 5.709 3.201 345 H SER 52 H SER 52 -2.917 6.913 6.718 346 HA SER 52 HA SER 52 -3.303 9.562 5.809 347 HB2 SER 52 1HB SER 52 -3.900 8.106 8.363 348 HB3 SER 52 2HB SER 52 -4.102 9.856 8.286 349 HG SER 52 HG SER 52 -5.237 8.923 6.129 350 H GLU 53 H GLU 53 -1.149 8.143 8.226 351 HA GLU 53 HA GLU 53 -0.106 10.612 9.165 352 HB2 GLU 53 1HB GLU 53 0.057 8.610 10.523 353 HB3 GLU 53 2HB GLU 53 1.018 7.810 9.288 354 HG2 GLU 53 1HG GLU 53 2.579 8.466 10.871 355 HG3 GLU 53 2HG GLU 53 2.697 9.708 9.626 356 H VAL 54 H VAL 54 0.532 8.657 6.402 357 HA VAL 54 HA VAL 54 3.143 9.799 5.890 358 HB VAL 54 HB VAL 54 1.393 7.948 4.273 359 HG11 VAL 54 1HG1 VAL 54 3.330 7.700 2.763 360 HG12 VAL 54 2HG1 VAL 54 2.645 9.326 2.729 361 HG13 VAL 54 3HG1 VAL 54 4.137 9.015 3.617 362 HG21 VAL 54 1HG2 VAL 54 2.387 6.319 5.407 363 HG22 VAL 54 2HG2 VAL 54 3.975 6.922 4.936 364 HG23 VAL 54 3HG2 VAL 54 3.201 7.530 6.399 365 H LYS 55 H LYS 55 -0.120 10.020 4.518 366 HA LYS 55 HA LYS 55 0.570 11.871 2.478 367 HB2 LYS 55 1HB LYS 55 -1.711 11.964 1.983 368 HB3 LYS 55 2HB LYS 55 -1.510 10.353 2.659 369 HG2 LYS 55 1HG LYS 55 -2.367 11.118 4.798 370 HG3 LYS 55 2HG LYS 55 -2.520 12.759 4.164 371 HD2 LYS 55 1HD LYS 55 -4.055 11.798 2.400 372 HD3 LYS 55 2HD LYS 55 -4.048 10.300 3.334 373 HE2 LYS 55 1HE LYS 55 -4.741 11.783 5.318 374 HE3 LYS 55 2HE LYS 55 -5.131 12.993 4.097 375 HZ1 LYS 55 1HZ LYS 55 -6.360 10.339 4.511 376 HZ2 LYS 55 2HZ LYS 55 -6.502 11.148 3.032 377 HZ3 LYS 55 3HZ LYS 55 -7.112 11.853 4.444 378 H GLU 56 H GLU 56 -0.155 12.181 5.844 379 HA GLU 56 HA GLU 56 -0.778 14.996 5.711 380 HB2 GLU 56 1HB GLU 56 -1.229 14.876 7.976 381 HB3 GLU 56 2HB GLU 56 -1.575 13.231 7.460 382 HG2 GLU 56 1HG GLU 56 0.550 12.470 8.281 383 HG3 GLU 56 2HG GLU 56 1.033 14.120 8.667 384 H GLN 57 H GLN 57 2.010 12.989 6.402 385 HA GLN 57 HA GLN 57 3.612 15.272 7.216 386 HB2 GLN 57 1HB GLN 57 4.216 12.328 6.951 387 HB3 GLN 57 2HB GLN 57 5.439 13.520 7.367 388 HG2 GLN 57 1HG GLN 57 4.046 14.165 9.326 389 HG3 GLN 57 2HG GLN 57 2.974 12.820 8.940 390 HE21 GLN 57 1HE2 GLN 57 4.440 10.750 8.432 391 HE22 GLN 57 2HE2 GLN 57 5.535 10.366 9.712 392 H THR 58 H THR 58 3.066 13.287 4.416 393 HA THR 58 HA THR 58 5.331 14.515 3.017 394 HB THR 58 HB THR 58 5.072 12.848 1.317 395 HG1 THR 58 1HG THR 58 2.584 12.414 2.578 396 HG21 THR 58 1HG2 THR 58 6.034 11.250 2.549 397 HG22 THR 58 2HG2 THR 58 4.552 10.963 3.461 398 HG23 THR 58 3HG2 THR 58 5.661 12.240 3.960 399 H LYS 59 H LYS 59 2.623 15.746 3.709 400 HA LYS 59 HA LYS 59 1.060 17.103 2.754 401 HB2 LYS 59 1HB LYS 59 3.241 17.411 0.682 402 HB3 LYS 59 2HB LYS 59 1.863 18.487 0.876 403 HG2 LYS 59 1HG LYS 59 3.531 19.627 1.976 404 HG3 LYS 59 2HG LYS 59 2.742 18.765 3.299 405 HD2 LYS 59 1HD LYS 59 4.499 17.324 3.588 406 HD3 LYS 59 2HD LYS 59 5.003 17.430 1.900 407 HE2 LYS 59 1HE LYS 59 6.210 19.351 2.240 408 HE3 LYS 59 2HE LYS 59 5.217 19.861 3.605 409 HZ1 LYS 59 1HZ LYS 59 6.280 18.300 5.011 410 HZ2 LYS 59 2HZ LYS 59 7.509 19.118 4.186 411 HZ3 LYS 59 3HZ LYS 59 7.074 17.552 3.717 412 H GLY 60 H GLY 60 1.118 14.232 1.957 413 HA2 GLY 60 1HA GLY 60 -0.356 12.972 0.685 414 HA3 GLY 60 2HA GLY 60 -0.847 14.441 -0.145 415 H LYS 61 H LYS 61 2.522 13.709 0.042 416 HA LYS 61 HA LYS 61 2.682 13.522 -2.827 417 HB2 LYS 61 1HB LYS 61 4.448 14.729 -1.857 418 HB3 LYS 61 2HB LYS 61 4.700 13.525 -0.600 419 HG2 LYS 61 1HG LYS 61 6.513 13.366 -2.122 420 HG3 LYS 61 2HG LYS 61 5.486 11.952 -2.374 421 HD2 LYS 61 1HD LYS 61 4.547 12.894 -4.354 422 HD3 LYS 61 2HD LYS 61 5.298 14.459 -4.036 423 HE2 LYS 61 1HE LYS 61 6.486 13.210 -5.780 424 HE3 LYS 61 2HE LYS 61 7.502 13.493 -4.368 425 HZ1 LYS 61 1HZ LYS 61 6.271 11.083 -3.903 426 HZ2 LYS 61 2HZ LYS 61 7.881 11.322 -4.362 427 HZ3 LYS 61 3HZ LYS 61 6.701 11.029 -5.538 428 H VAL 62 H VAL 62 3.716 11.388 -0.159 429 HA VAL 62 HA VAL 62 3.937 9.148 -1.994 430 HB VAL 62 HB VAL 62 4.368 9.222 0.996 431 HG11 VAL 62 1HG1 VAL 62 4.764 7.032 0.928 432 HG12 VAL 62 2HG1 VAL 62 4.044 7.037 -0.683 433 HG13 VAL 62 3HG1 VAL 62 5.792 7.191 -0.496 434 HG21 VAL 62 1HG2 VAL 62 6.779 9.218 0.389 435 HG22 VAL 62 2HG2 VAL 62 6.316 9.480 -1.292 436 HG23 VAL 62 3HG2 VAL 62 5.936 10.697 -0.073 437 H LYS 63 H LYS 63 2.137 8.115 -2.551 438 HA LYS 63 HA LYS 63 -0.089 7.938 -0.668 439 HB2 LYS 63 1HB LYS 63 0.071 7.103 -3.570 440 HB3 LYS 63 2HB LYS 63 -1.385 7.122 -2.582 441 HG2 LYS 63 1HG LYS 63 -1.465 9.451 -2.532 442 HG3 LYS 63 2HG LYS 63 0.220 9.611 -3.030 443 HD2 LYS 63 1HD LYS 63 -0.811 10.092 -5.011 444 HD3 LYS 63 2HD LYS 63 -0.670 8.340 -5.174 445 HE2 LYS 63 1HE LYS 63 -2.922 7.995 -4.678 446 HE3 LYS 63 2HE LYS 63 -3.099 9.584 -3.935 447 HZ1 LYS 63 1HZ LYS 63 -3.189 8.828 -6.749 448 HZ2 LYS 63 2HZ LYS 63 -2.467 10.314 -6.386 449 HZ3 LYS 63 3HZ LYS 63 -4.065 10.013 -5.918 450 H LEU 64 H LEU 64 -0.998 5.990 -0.001 451 HA LEU 64 HA LEU 64 0.732 3.633 -0.361 452 HB2 LEU 64 1HB LEU 64 -0.732 4.725 1.980 453 HB3 LEU 64 2HB LEU 64 -0.605 2.973 1.836 454 HG LEU 64 HG LEU 64 1.913 3.334 1.651 455 HD11 LEU 64 1HD1 LEU 64 1.385 5.937 3.025 456 HD12 LEU 64 2HD1 LEU 64 1.506 5.862 1.268 457 HD13 LEU 64 3HD1 LEU 64 2.866 5.349 2.267 458 HD21 LEU 64 1HD2 LEU 64 2.182 3.359 4.037 459 HD22 LEU 64 2HD2 LEU 64 0.718 2.458 3.644 460 HD23 LEU 64 3HD2 LEU 64 0.601 4.110 4.252 461 H ALA 65 H ALA 65 -0.115 1.956 -1.396 462 HA ALA 65 HA ALA 65 -3.051 1.714 -1.513 463 HB1 ALA 65 1HB ALA 65 -2.939 0.991 -3.767 464 HB2 ALA 65 2HB ALA 65 -1.952 2.449 -3.656 465 HB3 ALA 65 3HB ALA 65 -1.181 0.864 -3.711 466 H ALA 66 H ALA 66 -3.821 -0.509 -1.940 467 HA ALA 66 HA ALA 66 -1.995 -2.547 -0.848 468 HB1 ALA 66 1HB ALA 66 -3.642 -1.806 0.844 469 HB2 ALA 66 2HB ALA 66 -4.938 -2.336 -0.229 470 HB3 ALA 66 3HB ALA 66 -3.798 -3.512 0.425 471 H VAL 67 H VAL 67 -2.196 -4.632 -1.663 472 HA VAL 67 HA VAL 67 -4.110 -5.044 -3.849 473 HB VAL 67 HB VAL 67 -1.170 -5.707 -4.064 474 HG11 VAL 67 1HG1 VAL 67 -1.606 -6.551 -6.201 475 HG12 VAL 67 2HG1 VAL 67 -2.915 -7.195 -5.208 476 HG13 VAL 67 3HG1 VAL 67 -3.206 -5.814 -6.265 477 HG21 VAL 67 1HG2 VAL 67 -2.792 -3.398 -5.017 478 HG22 VAL 67 2HG2 VAL 67 -1.139 -3.439 -4.405 479 HG23 VAL 67 3HG2 VAL 67 -1.487 -3.998 -6.041 480 H ASP 68 H ASP 68 -4.771 -7.156 -4.153 481 HA ASP 68 HA ASP 68 -4.027 -9.005 -1.997 482 HB2 ASP 68 1HB ASP 68 -6.483 -8.235 -2.569 483 HB3 ASP 68 2HB ASP 68 -6.360 -9.482 -3.807 484 H ALA 69 H ALA 69 -2.345 -10.210 -2.656 485 HA ALA 69 HA ALA 69 -1.624 -10.912 -5.220 486 HB1 ALA 69 1HB ALA 69 -1.165 -12.906 -3.062 487 HB2 ALA 69 2HB ALA 69 -0.053 -12.280 -4.281 488 HB3 ALA 69 3HB ALA 69 -0.471 -11.294 -2.879 489 H THR 70 H THR 70 -4.271 -12.056 -3.393 490 HA THR 70 HA THR 70 -4.556 -14.619 -4.605 491 HB THR 70 HB THR 70 -6.754 -14.691 -3.612 492 HG1 THR 70 1HG THR 70 -7.598 -12.788 -2.595 493 HG21 THR 70 1HG2 THR 70 -5.058 -13.182 -1.639 494 HG22 THR 70 2HG2 THR 70 -4.649 -14.816 -2.164 495 HG23 THR 70 3HG2 THR 70 -6.177 -14.511 -1.338 496 H VAL 71 H VAL 71 -5.622 -11.384 -5.406 497 HA VAL 71 HA VAL 71 -7.145 -12.426 -7.692 498 HB VAL 71 HB VAL 71 -7.110 -9.624 -6.562 499 HG11 VAL 71 1HG1 VAL 71 -8.325 -8.968 -8.310 500 HG12 VAL 71 2HG1 VAL 71 -7.863 -10.484 -9.086 501 HG13 VAL 71 3HG1 VAL 71 -9.382 -10.374 -8.196 502 HG21 VAL 71 1HG2 VAL 71 -9.253 -11.732 -6.326 503 HG22 VAL 71 2HG2 VAL 71 -8.108 -11.323 -5.049 504 HG23 VAL 71 3HG2 VAL 71 -9.266 -10.119 -5.613 505 H ASN 72 H ASN 72 -4.404 -10.445 -6.806 506 HA ASN 72 HA ASN 72 -3.938 -9.595 -9.542 507 HB2 ASN 72 1HB ASN 72 -2.766 -8.969 -6.880 508 HB3 ASN 72 2HB ASN 72 -1.722 -8.773 -8.285 509 HD21 ASN 72 1HD2 ASN 72 -4.967 -7.954 -7.127 510 HD22 ASN 72 2HD2 ASN 72 -5.020 -6.389 -7.857 511 H GLN 73 H GLN 73 -3.125 -11.044 -10.908 512 HA GLN 73 HA GLN 73 -1.102 -12.937 -9.923 513 HB2 GLN 73 1HB GLN 73 -2.913 -13.070 -12.338 514 HB3 GLN 73 2HB GLN 73 -1.647 -14.240 -11.989 515 HG2 GLN 73 1HG GLN 73 -3.742 -13.679 -9.943 516 HG3 GLN 73 2HG GLN 73 -4.109 -14.725 -11.314 517 HE21 GLN 73 1HE2 GLN 73 -3.608 -15.050 -8.291 518 HE22 GLN 73 2HE2 GLN 73 -2.554 -16.417 -8.214 519 H VAL 74 H VAL 74 -1.822 -10.603 -12.463 520 HA VAL 74 HA VAL 74 0.397 -10.956 -14.095 521 HB VAL 74 HB VAL 74 -0.944 -8.330 -13.435 522 HG11 VAL 74 1HG1 VAL 74 1.289 -8.956 -15.079 523 HG12 VAL 74 2HG1 VAL 74 -0.056 -8.490 -16.122 524 HG13 VAL 74 3HG1 VAL 74 0.492 -7.400 -14.848 525 HG21 VAL 74 1HG2 VAL 74 -1.588 -9.924 -15.865 526 HG22 VAL 74 2HG2 VAL 74 -2.298 -10.411 -14.326 527 HG23 VAL 74 3HG2 VAL 74 -2.591 -8.791 -14.958 528 H LEU 75 H LEU 75 0.056 -9.035 -11.144 529 HA LEU 75 HA LEU 75 2.767 -8.059 -11.286 530 HB2 LEU 75 1HB LEU 75 0.935 -7.938 -8.907 531 HB3 LEU 75 2HB LEU 75 2.296 -6.885 -9.286 532 HG LEU 75 HG LEU 75 -0.225 -6.976 -10.932 533 HD11 LEU 75 1HD1 LEU 75 -0.480 -6.289 -8.459 534 HD12 LEU 75 2HD1 LEU 75 -1.132 -5.227 -9.707 535 HD13 LEU 75 3HD1 LEU 75 0.404 -4.838 -8.933 536 HD21 LEU 75 1HD2 LEU 75 1.687 -4.690 -10.720 537 HD22 LEU 75 2HD2 LEU 75 0.586 -5.116 -12.030 538 HD23 LEU 75 3HD2 LEU 75 2.058 -6.053 -11.775 539 H ALA 76 H ALA 76 0.992 -10.114 -8.969 540 HA ALA 76 HA ALA 76 2.992 -10.917 -7.323 541 HB1 ALA 76 1HB ALA 76 1.156 -11.966 -6.597 542 HB2 ALA 76 2HB ALA 76 0.472 -12.087 -8.218 543 HB3 ALA 76 3HB ALA 76 1.650 -13.278 -7.667 544 H SER 77 H SER 77 2.349 -12.134 -10.574 545 HA SER 77 HA SER 77 4.440 -14.109 -10.444 546 HB2 SER 77 1HB SER 77 2.559 -14.613 -11.847 547 HB3 SER 77 2HB SER 77 2.728 -13.089 -12.719 548 HG SER 77 HG SER 77 3.602 -14.913 -13.849 549 H ARG 78 H ARG 78 4.009 -10.924 -11.921 550 HA ARG 78 HA ARG 78 6.368 -10.795 -13.391 551 HB2 ARG 78 1HB ARG 78 4.533 -9.142 -13.534 552 HB3 ARG 78 2HB ARG 78 4.981 -8.528 -11.949 553 HG2 ARG 78 1HG ARG 78 7.053 -8.601 -14.080 554 HG3 ARG 78 2HG ARG 78 5.800 -7.360 -14.152 555 HD2 ARG 78 1HD ARG 78 6.525 -6.324 -12.243 556 HD3 ARG 78 2HD ARG 78 7.194 -7.807 -11.564 557 HE ARG 78 HE ARG 78 9.181 -7.378 -12.641 558 HH11 ARG 78 2HH1 ARG 78 6.709 -5.231 -13.824 559 HH12 ARG 78 1HH1 ARG 78 7.818 -4.226 -14.699 560 HH21 ARG 78 2HH2 ARG 78 10.650 -6.064 -13.789 561 HH22 ARG 78 1HH2 ARG 78 10.059 -4.702 -14.679 562 H TYR 79 H TYR 79 5.770 -9.700 -10.055 563 HA TYR 79 HA TYR 79 8.636 -9.327 -9.657 564 HB2 TYR 79 1HB TYR 79 6.411 -8.822 -7.678 565 HB3 TYR 79 2HB TYR 79 8.061 -8.215 -7.609 566 HD1 TYR 79 2HD TYR 79 4.776 -7.828 -9.181 567 HD2 TYR 79 1HD TYR 79 8.759 -6.344 -8.987 568 HE1 TYR 79 2HE TYR 79 4.071 -5.797 -10.376 569 HE2 TYR 79 1HE TYR 79 8.064 -4.308 -10.180 570 HH TYR 79 HH TYR 79 6.165 -3.049 -10.722 571 H GLY 80 H GLY 80 6.149 -11.604 -9.001 572 HA2 GLY 80 1HA GLY 80 6.422 -13.780 -8.219 573 HA3 GLY 80 2HA GLY 80 8.069 -13.379 -7.755 574 H ILE 81 H ILE 81 4.988 -11.873 -6.830 575 HA ILE 81 HA ILE 81 5.776 -11.766 -4.081 576 HB ILE 81 HB ILE 81 3.023 -11.268 -5.212 577 HG12 ILE 81 1HG1 ILE 81 4.852 -9.940 -6.331 578 HG13 ILE 81 2HG1 ILE 81 3.627 -8.973 -5.518 579 HG21 ILE 81 1HG2 ILE 81 2.424 -10.622 -3.167 580 HG22 ILE 81 2HG2 ILE 81 3.911 -11.376 -2.594 581 HG23 ILE 81 3HG2 ILE 81 3.883 -9.652 -2.967 582 HD11 ILE 81 1HD1 ILE 81 6.359 -8.753 -5.230 583 HD12 ILE 81 2HD1 ILE 81 5.131 -8.043 -4.180 584 HD13 ILE 81 3HD1 ILE 81 5.846 -9.603 -3.772 585 H ARG 82 H ARG 82 5.813 -13.535 -2.860 586 HA ARG 82 HA ARG 82 3.480 -15.324 -2.935 587 HB2 ARG 82 1HB ARG 82 6.367 -16.188 -2.683 588 HB3 ARG 82 2HB ARG 82 4.969 -17.249 -2.570 589 HG2 ARG 82 1HG ARG 82 4.380 -16.662 -4.896 590 HG3 ARG 82 2HG ARG 82 5.854 -15.697 -4.993 591 HD2 ARG 82 1HD ARG 82 6.962 -17.950 -4.174 592 HD3 ARG 82 2HD ARG 82 5.512 -18.651 -4.892 593 HE ARG 82 HE ARG 82 6.394 -17.046 -6.853 594 HH11 ARG 82 2HH1 ARG 82 8.002 -19.422 -4.882 595 HH12 ARG 82 1HH1 ARG 82 9.155 -19.846 -6.104 596 HH21 ARG 82 2HH2 ARG 82 7.906 -17.595 -8.470 597 HH22 ARG 82 1HH2 ARG 82 9.100 -18.805 -8.144 598 H GLY 83 H GLY 83 6.101 -13.883 -1.107 599 HA2 GLY 83 1HA GLY 83 5.023 -14.980 1.391 600 HA3 GLY 83 2HA GLY 83 6.569 -14.166 1.205 601 H PHE 84 H PHE 84 3.244 -13.819 1.949 602 HA PHE 84 HA PHE 84 3.444 -10.894 1.957 603 HB2 PHE 84 1HB PHE 84 0.920 -12.293 2.702 604 HB3 PHE 84 2HB PHE 84 1.151 -10.795 1.806 605 HD1 PHE 84 2HD PHE 84 3.101 -11.848 -0.245 606 HD2 PHE 84 1HD PHE 84 -0.562 -13.408 1.261 607 HE1 PHE 84 2HE PHE 84 2.752 -13.060 -2.358 608 HE2 PHE 84 1HE PHE 84 -0.916 -14.623 -0.849 609 HZ PHE 84 HZ PHE 84 0.741 -14.449 -2.662 610 HA PRO 85 HA PRO 85 1.907 -9.353 2.936 611 HB2 PRO 85 1HB PRO 85 2.877 -7.215 4.300 612 HB3 PRO 85 2HB PRO 85 1.381 -8.044 4.750 613 HG2 PRO 85 1HG PRO 85 4.126 -8.325 5.912 614 HG3 PRO 85 2HG PRO 85 2.562 -8.228 6.744 615 HD2 PRO 85 1HD PRO 85 3.851 -10.574 6.331 616 HD3 PRO 85 2HD PRO 85 2.080 -10.450 6.362 617 H THR 86 H THR 86 2.916 -7.731 1.583 618 HA THR 86 HA THR 86 5.845 -7.834 1.464 619 HB THR 86 HB THR 86 4.137 -8.168 -1.005 620 HG1 THR 86 1HG THR 86 5.257 -10.377 -0.798 621 HG21 THR 86 1HG2 THR 86 6.996 -7.797 -0.468 622 HG22 THR 86 2HG2 THR 86 6.074 -7.516 -1.945 623 HG23 THR 86 3HG2 THR 86 6.631 -9.141 -1.548 624 H ILE 87 H ILE 87 6.428 -5.779 1.723 625 HA ILE 87 HA ILE 87 4.800 -3.660 0.516 626 HB ILE 87 HB ILE 87 7.024 -3.458 2.550 627 HG12 ILE 87 1HG1 ILE 87 4.146 -2.819 3.082 628 HG13 ILE 87 2HG1 ILE 87 4.680 -4.496 3.127 629 HG21 ILE 87 1HG2 ILE 87 6.328 -1.128 2.794 630 HG22 ILE 87 2HG2 ILE 87 6.869 -1.467 1.151 631 HG23 ILE 87 3HG2 ILE 87 5.146 -1.344 1.503 632 HD11 ILE 87 1HD1 ILE 87 4.985 -2.420 5.090 633 HD12 ILE 87 2HD1 ILE 87 5.257 -4.156 5.234 634 HD13 ILE 87 3HD1 ILE 87 6.548 -3.106 4.648 635 H LYS 88 H LYS 88 5.422 -2.779 -1.332 636 HA LYS 88 HA LYS 88 8.293 -2.672 -1.961 637 HB2 LYS 88 1HB LYS 88 6.082 -3.358 -3.907 638 HB3 LYS 88 2HB LYS 88 7.783 -3.167 -4.313 639 HG2 LYS 88 1HG LYS 88 7.037 -5.151 -2.228 640 HG3 LYS 88 2HG LYS 88 6.724 -5.538 -3.922 641 HD2 LYS 88 1HD LYS 88 9.134 -4.939 -4.377 642 HD3 LYS 88 2HD LYS 88 9.365 -4.888 -2.627 643 HE2 LYS 88 1HE LYS 88 8.341 -7.255 -2.651 644 HE3 LYS 88 2HE LYS 88 8.695 -7.229 -4.378 645 HZ1 LYS 88 1HZ LYS 88 10.579 -7.146 -2.109 646 HZ2 LYS 88 2HZ LYS 88 11.038 -6.571 -3.632 647 HZ3 LYS 88 3HZ LYS 88 10.569 -8.185 -3.444 648 H ILE 89 H ILE 89 8.994 -0.862 -3.077 649 HA ILE 89 HA ILE 89 7.008 1.301 -3.325 650 HB ILE 89 HB ILE 89 9.957 1.485 -2.705 651 HG12 ILE 89 1HG1 ILE 89 8.872 2.726 -0.665 652 HG13 ILE 89 2HG1 ILE 89 7.438 1.809 -1.112 653 HG21 ILE 89 1HG2 ILE 89 8.032 3.470 -3.706 654 HG22 ILE 89 2HG2 ILE 89 9.002 3.985 -2.326 655 HG23 ILE 89 3HG2 ILE 89 9.793 3.442 -3.805 656 HD11 ILE 89 1HD1 ILE 89 9.791 0.134 -0.995 657 HD12 ILE 89 2HD1 ILE 89 9.489 0.969 0.529 658 HD13 ILE 89 3HD1 ILE 89 8.233 -0.041 -0.188 659 H PHE 90 H PHE 90 6.944 2.521 -5.167 660 HA PHE 90 HA PHE 90 8.839 1.834 -7.309 661 HB2 PHE 90 1HB PHE 90 5.851 2.168 -7.645 662 HB3 PHE 90 2HB PHE 90 7.006 1.857 -8.937 663 HD1 PHE 90 1HD PHE 90 5.373 0.426 -5.965 664 HD2 PHE 90 2HD PHE 90 7.817 -0.331 -9.366 665 HE1 PHE 90 1HE PHE 90 5.089 -1.995 -5.626 666 HE2 PHE 90 2HE PHE 90 7.536 -2.753 -9.033 667 HZ PHE 90 HZ PHE 90 6.170 -3.588 -7.162 668 H GLN 91 H GLN 91 9.840 3.573 -8.056 669 HA GLN 91 HA GLN 91 8.443 6.163 -7.936 670 HB2 GLN 91 1HB GLN 91 11.364 5.586 -7.427 671 HB3 GLN 91 2HB GLN 91 10.693 7.203 -7.599 672 HG2 GLN 91 1HG GLN 91 9.245 6.784 -5.657 673 HG3 GLN 91 2HG GLN 91 9.992 5.198 -5.467 674 HE21 GLN 91 1HE2 GLN 91 10.441 6.099 -3.307 675 HE22 GLN 91 2HE2 GLN 91 11.887 7.020 -3.092 676 H LYS 92 H LYS 92 8.849 7.636 -9.617 677 HA LYS 92 HA LYS 92 9.351 6.407 -12.156 678 HB2 LYS 92 1HB LYS 92 7.734 8.368 -11.530 679 HB3 LYS 92 2HB LYS 92 9.156 9.374 -11.775 680 HG2 LYS 92 1HG LYS 92 9.222 8.978 -14.029 681 HG3 LYS 92 2HG LYS 92 8.403 7.420 -13.889 682 HD2 LYS 92 1HD LYS 92 6.423 8.980 -13.041 683 HD3 LYS 92 2HD LYS 92 7.273 10.162 -14.039 684 HE2 LYS 92 1HE LYS 92 7.194 8.539 -15.921 685 HE3 LYS 92 2HE LYS 92 6.213 7.477 -14.912 686 HZ1 LYS 92 1HZ LYS 92 5.124 9.173 -16.565 687 HZ2 LYS 92 2HZ LYS 92 5.328 10.244 -15.272 688 HZ3 LYS 92 3HZ LYS 92 4.412 8.837 -15.067 689 H GLY 93 H GLY 93 11.256 6.171 -13.116 690 HA2 GLY 93 1HA GLY 93 13.256 7.222 -14.003 691 HA3 GLY 93 2HA GLY 93 13.387 8.114 -12.494 692 H GLU 94 H GLU 94 12.988 6.043 -10.668 693 HA GLU 94 HA GLU 94 15.456 4.500 -11.081 694 HB2 GLU 94 1HB GLU 94 15.461 4.253 -8.602 695 HB3 GLU 94 2HB GLU 94 15.586 5.920 -9.145 696 HG2 GLU 94 1HG GLU 94 12.946 4.722 -8.401 697 HG3 GLU 94 2HG GLU 94 14.032 5.390 -7.184 698 H SER 95 H SER 95 15.476 2.343 -9.923 699 HA SER 95 HA SER 95 13.208 0.818 -10.847 700 HB2 SER 95 1HB SER 95 15.936 0.189 -9.817 701 HB3 SER 95 2HB SER 95 14.701 -1.065 -9.699 702 HG SER 95 HG SER 95 15.555 0.280 -12.048 703 HA PRO 96 HA PRO 96 11.018 0.306 -7.082 704 HB2 PRO 96 1HB PRO 96 10.232 -2.288 -7.223 705 HB3 PRO 96 2HB PRO 96 9.539 -1.018 -8.238 706 HG2 PRO 96 1HG PRO 96 11.656 -3.029 -8.901 707 HG3 PRO 96 2HG PRO 96 10.278 -2.490 -9.880 708 HD2 PRO 96 1HD PRO 96 12.792 -1.563 -10.268 709 HD3 PRO 96 2HD PRO 96 11.352 -0.567 -10.559 710 H VAL 97 H VAL 97 11.499 -0.073 -4.998 711 HA VAL 97 HA VAL 97 13.783 -1.821 -4.416 712 HB VAL 97 HB VAL 97 13.730 -0.652 -2.165 713 HG11 VAL 97 1HG1 VAL 97 15.182 -0.104 -4.225 714 HG12 VAL 97 2HG1 VAL 97 14.142 1.312 -4.389 715 HG13 VAL 97 3HG1 VAL 97 15.088 1.077 -2.919 716 HG21 VAL 97 1HG2 VAL 97 11.388 0.147 -2.379 717 HG22 VAL 97 2HG2 VAL 97 12.532 1.425 -1.970 718 HG23 VAL 97 3HG2 VAL 97 11.927 1.278 -3.621 719 H ASP 98 H ASP 98 13.646 -2.782 -2.099 720 HA ASP 98 HA ASP 98 10.993 -4.030 -1.790 721 HB2 ASP 98 1HB ASP 98 12.090 -6.053 -1.039 722 HB3 ASP 98 2HB ASP 98 12.758 -5.584 -2.600 723 H TYR 99 H TYR 99 10.024 -3.143 -0.085 724 HA TYR 99 HA TYR 99 11.517 -2.084 2.138 725 HB2 TYR 99 1HB TYR 99 9.475 -0.969 1.343 726 HB3 TYR 99 2HB TYR 99 8.531 -2.396 1.757 727 HD1 TYR 99 2HD TYR 99 8.581 -3.133 4.241 728 HD2 TYR 99 1HD TYR 99 9.751 0.733 2.905 729 HE1 TYR 99 2HE TYR 99 8.237 -2.252 6.511 730 HE2 TYR 99 1HE TYR 99 9.412 1.625 5.172 731 HH TYR 99 HH TYR 99 8.826 -0.443 7.892 732 H ASP 100 H ASP 100 12.380 -3.445 3.561 733 HA ASP 100 HA ASP 100 10.669 -5.569 4.660 734 HB2 ASP 100 1HB ASP 100 12.765 -6.966 4.887 735 HB3 ASP 100 2HB ASP 100 12.184 -6.740 3.239 736 H GLY 101 H GLY 101 10.201 -4.215 6.431 737 HA2 GLY 101 1HA GLY 101 12.232 -4.301 8.500 738 HA3 GLY 101 2HA GLY 101 11.753 -2.684 8.004 739 H GLY 102 H GLY 102 10.951 -2.266 10.107 740 HA2 GLY 102 1HA GLY 102 9.229 -3.716 11.641 741 HA3 GLY 102 2HA GLY 102 9.153 -1.964 11.520 742 H ARG 103 H ARG 103 7.107 -4.239 11.699 743 HA ARG 103 HA ARG 103 5.546 -3.614 9.293 744 HB2 ARG 103 1HB ARG 103 5.961 -6.016 9.920 745 HB3 ARG 103 2HB ARG 103 4.988 -5.744 11.359 746 HG2 ARG 103 1HG ARG 103 3.076 -5.151 9.922 747 HG3 ARG 103 2HG ARG 103 4.060 -5.518 8.504 748 HD2 ARG 103 1HD ARG 103 2.560 -7.374 9.167 749 HD3 ARG 103 2HD ARG 103 4.267 -7.816 9.177 750 HE ARG 103 HE ARG 103 2.501 -7.611 11.466 751 HH11 ARG 103 2HH1 ARG 103 5.774 -7.851 10.303 752 HH12 ARG 103 1HH1 ARG 103 6.401 -8.449 11.803 753 HH21 ARG 103 2HH2 ARG 103 3.315 -8.399 13.446 754 HH22 ARG 103 1HH2 ARG 103 5.001 -8.761 13.590 755 H THR 104 H THR 104 5.646 -1.513 10.961 756 HA THR 104 HA THR 104 2.910 -1.409 11.999 757 HB THR 104 HB THR 104 3.679 -0.127 13.991 758 HG1 THR 104 1HG THR 104 6.226 -0.951 13.025 759 HG21 THR 104 1HG2 THR 104 4.300 -2.038 15.297 760 HG22 THR 104 2HG2 THR 104 4.900 -2.883 13.870 761 HG23 THR 104 3HG2 THR 104 3.173 -2.579 14.054 762 H ARG 105 H ARG 105 1.877 0.473 11.589 763 HA ARG 105 HA ARG 105 2.488 2.179 9.625 764 HB2 ARG 105 1HB ARG 105 0.902 3.692 10.463 765 HB3 ARG 105 2HB ARG 105 0.410 2.140 11.127 766 HG2 ARG 105 1HG ARG 105 1.872 2.885 13.163 767 HG3 ARG 105 2HG ARG 105 1.602 4.497 12.498 768 HD2 ARG 105 1HD ARG 105 -0.813 4.127 12.579 769 HD3 ARG 105 2HD ARG 105 -0.547 2.510 13.229 770 HE ARG 105 HE ARG 105 0.637 4.628 14.785 771 HH11 ARG 105 2HH1 ARG 105 -2.204 2.692 14.234 772 HH12 ARG 105 1HH1 ARG 105 -2.837 2.933 15.829 773 HH21 ARG 105 2HH2 ARG 105 -0.187 4.953 16.888 774 HH22 ARG 105 1HH2 ARG 105 -1.689 4.220 17.337 775 H SER 106 H SER 106 3.715 2.404 12.918 776 HA SER 106 HA SER 106 4.864 4.904 12.909 777 HB2 SER 106 1HB SER 106 5.498 2.334 14.273 778 HB3 SER 106 2HB SER 106 6.721 3.604 14.328 779 HG SER 106 HG SER 106 4.018 3.813 15.170 780 H ASP 107 H ASP 107 6.523 1.874 12.014 781 HA ASP 107 HA ASP 107 8.805 3.207 10.967 782 HB2 ASP 107 1HB ASP 107 7.801 0.374 10.649 783 HB3 ASP 107 2HB ASP 107 9.339 0.940 10.002 784 H ILE 108 H ILE 108 6.124 1.480 9.374 785 HA ILE 108 HA ILE 108 6.738 1.780 6.753 786 HB ILE 108 HB ILE 108 4.007 2.224 7.965 787 HG12 ILE 108 1HG1 ILE 108 4.972 -0.307 6.672 788 HG13 ILE 108 2HG1 ILE 108 5.354 0.024 8.358 789 HG21 ILE 108 1HG2 ILE 108 4.754 2.743 5.382 790 HG22 ILE 108 2HG2 ILE 108 4.161 1.086 5.283 791 HG23 ILE 108 3HG2 ILE 108 3.119 2.359 5.917 792 HD11 ILE 108 1HD1 ILE 108 2.869 -0.857 7.142 793 HD12 ILE 108 2HD1 ILE 108 3.420 -0.968 8.814 794 HD13 ILE 108 3HD1 ILE 108 2.658 0.513 8.233 795 H VAL 109 H VAL 109 5.396 4.274 8.868 796 HA VAL 109 HA VAL 109 5.115 6.227 6.804 797 HB VAL 109 HB VAL 109 5.188 6.525 9.808 798 HG11 VAL 109 1HG1 VAL 109 4.458 8.769 9.556 799 HG12 VAL 109 2HG1 VAL 109 5.874 8.579 8.519 800 HG13 VAL 109 3HG1 VAL 109 4.257 8.579 7.814 801 HG21 VAL 109 1HG2 VAL 109 3.271 5.354 8.292 802 HG22 VAL 109 2HG2 VAL 109 2.965 6.174 9.823 803 HG23 VAL 109 3HG2 VAL 109 2.716 7.029 8.301 804 H SER 110 H SER 110 7.487 5.726 9.407 805 HA SER 110 HA SER 110 9.115 7.892 9.073 806 HB2 SER 110 1HB SER 110 9.569 6.314 10.827 807 HB3 SER 110 2HB SER 110 9.884 5.027 9.664 808 HG SER 110 HG SER 110 11.424 7.387 10.019 809 H ARG 111 H ARG 111 9.240 4.862 7.225 810 HA ARG 111 HA ARG 111 11.434 5.558 5.607 811 HB2 ARG 111 1HB ARG 111 10.840 3.271 5.682 812 HB3 ARG 111 2HB ARG 111 9.167 3.609 5.259 813 HG2 ARG 111 1HG ARG 111 10.240 2.629 3.369 814 HG3 ARG 111 2HG ARG 111 9.944 4.332 3.012 815 HD2 ARG 111 1HD ARG 111 12.201 4.897 3.280 816 HD3 ARG 111 2HD ARG 111 12.564 3.398 4.135 817 HE ARG 111 HE ARG 111 11.802 2.532 1.695 818 HH11 ARG 111 2HH1 ARG 111 14.105 4.916 2.759 819 HH12 ARG 111 1HH1 ARG 111 15.161 4.690 1.404 820 HH21 ARG 111 2HH2 ARG 111 13.184 2.225 -0.093 821 HH22 ARG 111 1HH2 ARG 111 14.636 3.160 -0.218 822 H ALA 112 H ALA 112 7.936 5.752 4.973 823 HA ALA 112 HA ALA 112 7.877 6.701 2.427 824 HB1 ALA 112 1HB ALA 112 6.062 6.539 4.511 825 HB2 ALA 112 2HB ALA 112 6.069 8.249 4.078 826 HB3 ALA 112 3HB ALA 112 5.717 7.031 2.853 827 H LEU 113 H LEU 113 8.615 8.559 5.341 828 HA LEU 113 HA LEU 113 8.726 11.092 4.085 829 HB2 LEU 113 1HB LEU 113 10.062 10.099 6.598 830 HB3 LEU 113 2HB LEU 113 9.974 11.788 6.102 831 HG LEU 113 HG LEU 113 7.557 10.086 6.692 832 HD11 LEU 113 1HD1 LEU 113 9.303 11.721 8.466 833 HD12 LEU 113 2HD1 LEU 113 8.485 10.192 8.784 834 HD13 LEU 113 3HD1 LEU 113 7.564 11.695 8.759 835 HD21 LEU 113 1HD2 LEU 113 7.621 13.058 6.802 836 HD22 LEU 113 2HD2 LEU 113 6.292 11.968 6.407 837 HD23 LEU 113 3HD2 LEU 113 7.564 12.274 5.223 838 H ASP 114 H ASP 114 11.196 8.663 4.823 839 HA ASP 114 HA ASP 114 13.476 10.047 4.114 840 HB2 ASP 114 1HB ASP 114 12.697 7.176 4.118 841 HB3 ASP 114 2HB ASP 114 14.164 7.613 3.246 842 H LEU 115 H LEU 115 11.114 8.463 2.042 843 HA LEU 115 HA LEU 115 12.653 9.000 -0.353 844 HB2 LEU 115 1HB LEU 115 9.804 8.068 -0.277 845 HB3 LEU 115 2HB LEU 115 11.019 7.795 -1.524 846 HG LEU 115 HG LEU 115 11.364 6.607 1.202 847 HD11 LEU 115 1HD1 LEU 115 9.902 5.209 -1.017 848 HD12 LEU 115 2HD1 LEU 115 9.062 6.085 0.262 849 HD13 LEU 115 3HD1 LEU 115 10.090 4.710 0.664 850 HD21 LEU 115 1HD2 LEU 115 13.239 5.989 0.155 851 HD22 LEU 115 2HD2 LEU 115 12.596 6.399 -1.435 852 HD23 LEU 115 3HD2 LEU 115 12.219 4.837 -0.707 853 H PHE 116 H PHE 116 9.804 10.251 1.290 854 HA PHE 116 HA PHE 116 8.754 11.900 -0.664 855 HB2 PHE 116 1HB PHE 116 7.457 11.780 1.258 856 HB3 PHE 116 2HB PHE 116 8.831 12.048 2.325 857 HD1 PHE 116 2HD PHE 116 6.628 13.734 -0.135 858 HD2 PHE 116 1HD PHE 116 9.303 14.177 3.145 859 HE1 PHE 116 2HE PHE 116 6.031 16.115 0.025 860 HE2 PHE 116 1HE PHE 116 8.710 16.559 3.312 861 HZ PHE 116 HZ PHE 116 7.073 17.532 1.750 862 H SER 117 H SER 117 11.101 12.847 1.850 863 HA SER 117 HA SER 117 11.586 15.426 0.920 864 HB2 SER 117 1HB SER 117 13.309 13.505 2.485 865 HB3 SER 117 2HB SER 117 13.826 15.151 2.121 866 HG SER 117 HG SER 117 11.886 15.862 3.176 867 H ASP 118 H ASP 118 12.361 12.481 -0.524 868 HA ASP 118 HA ASP 118 14.743 13.356 -1.892 869 HB2 ASP 118 1HB ASP 118 14.088 10.934 -1.265 870 HB3 ASP 118 2HB ASP 118 13.064 10.994 -2.697 871 H ASN 119 H ASN 119 11.520 12.362 -3.063 872 HA ASN 119 HA ASN 119 11.951 13.792 -5.545 873 HB2 ASN 119 1HB ASN 119 9.389 12.443 -4.710 874 HB3 ASN 119 2HB ASN 119 9.993 12.732 -6.339 875 HD21 ASN 119 1HD2 ASN 119 10.471 10.862 -3.412 876 HD22 ASN 119 2HD2 ASN 119 11.291 9.541 -4.166 877 H ALA 120 H ALA 120 9.139 13.748 -3.357 878 HA ALA 120 HA ALA 120 7.827 15.966 -4.063 879 HB1 ALA 120 1HB ALA 120 7.890 16.199 -1.272 880 HB2 ALA 120 2HB ALA 120 6.697 15.349 -2.254 881 HB3 ALA 120 3HB ALA 120 8.095 14.482 -1.619 882 HA PRO 121 HA PRO 121 10.567 19.412 -3.749 883 HB2 PRO 121 1HB PRO 121 8.704 21.387 -3.808 884 HB3 PRO 121 2HB PRO 121 9.165 20.457 -5.239 885 HG2 PRO 121 1HG PRO 121 6.792 20.121 -3.445 886 HG3 PRO 121 2HG PRO 121 6.875 20.056 -5.215 887 HD2 PRO 121 1HD PRO 121 6.787 17.828 -3.679 888 HD3 PRO 121 2HD PRO 121 7.657 17.888 -5.226 889 HA PRO 122 HA PRO 122 10.744 20.789 0.424 890 HB2 PRO 122 1HB PRO 122 11.608 23.349 0.159 891 HB3 PRO 122 2HB PRO 122 12.646 21.949 -0.138 892 HG2 PRO 122 1HG PRO 122 11.176 23.667 -2.100 893 HG3 PRO 122 2HG PRO 122 12.829 23.032 -2.188 894 HD2 PRO 122 1HD PRO 122 10.760 21.901 -3.521 895 HD3 PRO 122 2HD PRO 122 12.127 20.954 -2.898 896 HA PRO 123 HA PRO 123 7.128 22.962 1.665 897 HB2 PRO 123 1HB PRO 123 7.961 24.230 3.916 898 HB3 PRO 123 2HB PRO 123 7.704 22.483 3.837 899 HG2 PRO 123 1HG PRO 123 10.258 24.032 3.639 900 HG3 PRO 123 2HG PRO 123 9.923 22.535 4.529 901 HD2 PRO 123 1HD PRO 123 11.180 22.555 2.130 902 HD3 PRO 123 2HD PRO 123 10.125 21.222 2.645 903 H GLU 124 H GLU 124 6.754 24.475 0.051 904 HA GLU 124 HA GLU 124 6.963 27.192 0.762 905 HB2 GLU 124 1HB GLU 124 9.358 26.603 0.024 906 HB3 GLU 124 2HB GLU 124 8.697 26.521 -1.603 907 HG2 GLU 124 1HG GLU 124 8.413 28.938 0.155 908 HG3 GLU 124 2HG GLU 124 9.769 28.699 -0.945 909 H LEU 125 H LEU 125 5.168 28.018 -0.056 910 HA LEU 125 HA LEU 125 4.504 27.830 -2.821 911 HB2 LEU 125 1HB LEU 125 3.768 25.604 -1.805 912 HB3 LEU 125 2HB LEU 125 2.527 26.535 -0.968 913 HG LEU 125 HG LEU 125 1.969 27.337 -3.424 914 HD11 LEU 125 1HD1 LEU 125 2.781 26.142 -5.122 915 HD12 LEU 125 2HD1 LEU 125 2.545 24.614 -4.273 916 HD13 LEU 125 3HD1 LEU 125 3.998 25.570 -3.981 917 HD21 LEU 125 1HD2 LEU 125 0.790 25.713 -1.619 918 HD22 LEU 125 2HD2 LEU 125 1.020 24.590 -2.959 919 HD23 LEU 125 3HD2 LEU 125 0.112 26.083 -3.205 920 H LEU 126 H LEU 126 2.647 29.120 -3.385 921 HA LEU 126 HA LEU 126 2.257 31.303 -1.510 922 HB2 LEU 126 1HB LEU 126 2.769 31.619 -3.957 923 HB3 LEU 126 2HB LEU 126 1.143 31.030 -4.293 924 HG LEU 126 HG LEU 126 1.535 33.386 -2.490 925 HD11 LEU 126 1HD1 LEU 126 2.822 33.657 -4.681 926 HD12 LEU 126 2HD1 LEU 126 1.646 34.904 -4.264 927 HD13 LEU 126 3HD1 LEU 126 1.240 33.675 -5.462 928 HD21 LEU 126 1HD2 LEU 126 -0.681 33.177 -2.478 929 HD22 LEU 126 2HD2 LEU 126 -0.654 32.005 -3.796 930 HD23 LEU 126 3HD2 LEU 126 -0.652 33.733 -4.152 931 H GLU 127 H GLU 127 0.657 31.227 -0.089 932 HA GLU 127 HA GLU 127 -1.465 29.393 -0.153 933 HB2 GLU 127 1HB GLU 127 -0.518 30.690 1.846 934 HB3 GLU 127 2HB GLU 127 -1.552 32.014 1.328 935 HG2 GLU 127 1HG GLU 127 -2.686 29.288 1.796 936 HG3 GLU 127 2HG GLU 127 -2.398 30.392 3.139 937 H SER 128 H SER 128 -3.271 29.364 -1.302 938 HA SER 128 HA SER 128 -4.323 31.914 -2.340 939 HB2 SER 128 1HB SER 128 -3.800 29.331 -3.733 940 HB3 SER 128 2HB SER 128 -5.233 30.242 -4.210 941 HG SER 128 HG SER 128 -2.593 31.284 -4.114 942 H GLY 129 H GLY 129 -6.596 32.077 -2.556 943 HA2 GLY 129 1HA GLY 129 -8.061 30.133 -0.882 944 HA3 GLY 129 2HA GLY 129 -8.447 31.845 -0.967 945 HA PRO 130 HA PRO 130 -10.493 29.136 -4.425 946 HB2 PRO 130 1HB PRO 130 -12.543 27.914 -3.130 947 HB3 PRO 130 2HB PRO 130 -10.959 27.160 -3.350 948 HG2 PRO 130 1HG PRO 130 -12.068 28.572 -0.955 949 HG3 PRO 130 2HG PRO 130 -11.134 27.066 -1.033 950 HD2 PRO 130 1HD PRO 130 -10.017 29.441 -0.366 951 HD3 PRO 130 2HD PRO 130 -9.124 28.176 -1.235 952 H SER 131 H SER 131 -12.590 29.581 -5.355 953 HA SER 131 HA SER 131 -13.709 32.086 -4.341 954 HB2 SER 131 1HB SER 131 -13.831 30.708 -7.020 955 HB3 SER 131 2HB SER 131 -14.871 32.077 -6.627 956 HG SER 131 HG SER 131 -12.912 33.249 -6.152 957 H SER 132 H SER 132 -15.861 32.366 -3.861 958 HA SER 132 HA SER 132 -17.522 29.933 -3.830 959 HB2 SER 132 1HB SER 132 -16.881 30.306 -1.559 960 HB3 SER 132 2HB SER 132 -17.207 32.035 -1.683 961 HG SER 132 HG SER 132 -18.856 30.638 -0.635 962 H GLY 133 H GLY 133 -19.846 30.321 -3.843 963 HA2 GLY 133 1HA GLY 133 -21.759 31.383 -4.560 964 HA3 GLY 133 2HA GLY 133 -20.903 32.910 -4.403 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -17.110 1.360 -8.920 2 HA2 GLY 1 1HA GLY 1 -17.314 1.381 -6.634 3 HA3 GLY 1 2HA GLY 1 -15.746 2.174 -6.599 4 H SER 2 H SER 2 -19.040 2.514 -6.003 5 HA SER 2 HA SER 2 -18.838 5.450 -5.961 6 HB2 SER 2 1HB SER 2 -20.705 4.290 -7.287 7 HB3 SER 2 2HB SER 2 -21.399 3.877 -5.719 8 HG SER 2 HG SER 2 -22.258 5.830 -6.501 9 H SER 3 H SER 3 -20.432 2.846 -4.112 10 HA SER 3 HA SER 3 -20.058 4.449 -1.678 11 HB2 SER 3 1HB SER 3 -21.876 3.260 -0.711 12 HB3 SER 3 2HB SER 3 -22.377 3.635 -2.359 13 HG SER 3 HG SER 3 -21.732 1.498 -2.933 14 H GLY 4 H GLY 4 -18.800 3.763 -0.040 15 HA2 GLY 4 1HA GLY 4 -17.738 2.137 1.315 16 HA3 GLY 4 2HA GLY 4 -17.907 0.974 0.008 17 H SER 5 H SER 5 -15.603 2.165 1.705 18 HA SER 5 HA SER 5 -13.603 1.889 -0.277 19 HB2 SER 5 1HB SER 5 -14.249 4.112 -0.976 20 HB3 SER 5 2HB SER 5 -14.172 4.702 0.684 21 HG SER 5 HG SER 5 -12.239 4.695 -1.077 22 H SER 6 H SER 6 -11.990 0.970 0.785 23 HA SER 6 HA SER 6 -11.745 0.502 3.426 24 HB2 SER 6 1HB SER 6 -9.608 0.906 1.345 25 HB3 SER 6 2HB SER 6 -9.192 0.480 3.005 26 HG SER 6 HG SER 6 -11.028 -1.203 2.432 27 H GLY 7 H GLY 7 -10.488 3.368 1.753 28 HA2 GLY 7 1HA GLY 7 -10.890 5.429 3.218 29 HA3 GLY 7 2HA GLY 7 -9.897 4.564 4.382 30 H ASP 8 H ASP 8 -8.113 5.807 4.491 31 HA ASP 8 HA ASP 8 -6.932 7.356 2.581 32 HB2 ASP 8 1HB ASP 8 -5.450 5.701 4.635 33 HB3 ASP 8 2HB ASP 8 -4.845 7.148 3.832 34 H VAL 9 H VAL 9 -6.556 3.880 3.034 35 HA VAL 9 HA VAL 9 -4.475 3.496 1.168 36 HB VAL 9 HB VAL 9 -6.614 1.553 2.049 37 HG11 VAL 9 1HG1 VAL 9 -3.918 0.849 0.930 38 HG12 VAL 9 2HG1 VAL 9 -5.329 -0.189 1.149 39 HG13 VAL 9 3HG1 VAL 9 -5.332 1.053 -0.105 40 HG21 VAL 9 1HG2 VAL 9 -3.936 2.309 3.157 41 HG22 VAL 9 2HG2 VAL 9 -5.479 2.136 3.994 42 HG23 VAL 9 3HG2 VAL 9 -4.611 0.704 3.441 43 H ILE 10 H ILE 10 -4.479 2.996 -0.989 44 HA ILE 10 HA ILE 10 -7.001 3.508 -2.407 45 HB ILE 10 HB ILE 10 -4.168 3.630 -3.448 46 HG12 ILE 10 1HG1 ILE 10 -6.081 5.927 -3.045 47 HG13 ILE 10 2HG1 ILE 10 -4.949 5.421 -1.796 48 HG21 ILE 10 1HG2 ILE 10 -4.975 4.172 -5.524 49 HG22 ILE 10 2HG2 ILE 10 -6.205 3.028 -4.990 50 HG23 ILE 10 3HG2 ILE 10 -6.512 4.762 -4.894 51 HD11 ILE 10 1HD1 ILE 10 -3.991 6.081 -4.549 52 HD12 ILE 10 2HD1 ILE 10 -4.293 7.347 -3.358 53 HD13 ILE 10 3HD1 ILE 10 -3.104 6.089 -3.025 54 H GLU 11 H GLU 11 -7.937 1.978 -3.619 55 HA GLU 11 HA GLU 11 -6.740 -0.670 -3.650 56 HB2 GLU 11 1HB GLU 11 -9.174 -0.208 -3.076 57 HB3 GLU 11 2HB GLU 11 -9.417 0.132 -4.784 58 HG2 GLU 11 1HG GLU 11 -8.977 -2.079 -5.405 59 HG3 GLU 11 2HG GLU 11 -8.242 -2.461 -3.849 60 H LEU 12 H LEU 12 -5.467 -1.270 -5.261 61 HA LEU 12 HA LEU 12 -5.934 -0.122 -7.934 62 HB2 LEU 12 1HB LEU 12 -3.386 -1.215 -6.750 63 HB3 LEU 12 2HB LEU 12 -3.567 -0.594 -8.389 64 HG LEU 12 HG LEU 12 -3.992 1.080 -5.919 65 HD11 LEU 12 1HD1 LEU 12 -1.519 0.623 -7.566 66 HD12 LEU 12 2HD1 LEU 12 -1.721 0.442 -5.824 67 HD13 LEU 12 3HD1 LEU 12 -1.749 2.048 -6.552 68 HD21 LEU 12 1HD2 LEU 12 -5.016 2.273 -7.563 69 HD22 LEU 12 2HD2 LEU 12 -4.050 1.547 -8.848 70 HD23 LEU 12 3HD2 LEU 12 -3.357 2.810 -7.829 71 H THR 13 H THR 13 -5.505 -1.517 -9.769 72 HA THR 13 HA THR 13 -6.080 -4.341 -9.157 73 HB THR 13 HB THR 13 -7.061 -4.456 -11.452 74 HG1 THR 13 1HG THR 13 -7.249 -1.660 -11.491 75 HG21 THR 13 1HG2 THR 13 -8.253 -3.733 -9.168 76 HG22 THR 13 2HG2 THR 13 -9.121 -3.850 -10.699 77 HG23 THR 13 3HG2 THR 13 -8.566 -2.280 -10.118 78 H ASP 14 H ASP 14 -5.553 -5.613 -11.418 79 HA ASP 14 HA ASP 14 -2.672 -5.514 -11.565 80 HB2 ASP 14 1HB ASP 14 -3.179 -7.441 -13.282 81 HB3 ASP 14 2HB ASP 14 -3.382 -7.712 -11.554 82 H ASP 15 H ASP 15 -4.942 -3.718 -13.008 83 HA ASP 15 HA ASP 15 -3.436 -3.527 -15.535 84 HB2 ASP 15 1HB ASP 15 -6.361 -2.931 -15.038 85 HB3 ASP 15 2HB ASP 15 -5.518 -2.655 -16.560 86 H SER 16 H SER 16 -5.438 -1.632 -13.279 87 HA SER 16 HA SER 16 -4.502 0.881 -14.232 88 HB2 SER 16 1HB SER 16 -5.925 1.830 -12.682 89 HB3 SER 16 2HB SER 16 -6.655 0.232 -12.832 90 HG SER 16 HG SER 16 -4.967 -0.176 -11.004 91 H PHE 17 H PHE 17 -3.278 -1.437 -12.009 92 HA PHE 17 HA PHE 17 -1.829 -0.036 -10.180 93 HB2 PHE 17 1HB PHE 17 -1.675 -2.363 -10.007 94 HB3 PHE 17 2HB PHE 17 -1.204 -2.553 -11.693 95 HD1 PHE 17 2HD PHE 17 1.093 -1.388 -12.310 96 HD2 PHE 17 1HD PHE 17 -0.062 -2.606 -8.398 97 HE1 PHE 17 2HE PHE 17 3.459 -1.468 -11.640 98 HE2 PHE 17 1HE PHE 17 2.303 -2.687 -7.722 99 HZ PHE 17 HZ PHE 17 4.067 -2.119 -9.344 100 H ASP 18 H ASP 18 -1.067 -0.483 -13.587 101 HA ASP 18 HA ASP 18 1.464 0.901 -13.355 102 HB2 ASP 18 1HB ASP 18 1.350 0.698 -15.929 103 HB3 ASP 18 2HB ASP 18 1.526 -0.779 -14.986 104 H LYS 19 H LYS 19 -1.757 1.537 -14.669 105 HA LYS 19 HA LYS 19 -1.131 4.097 -15.727 106 HB2 LYS 19 1HB LYS 19 -3.861 3.156 -14.853 107 HB3 LYS 19 2HB LYS 19 -3.478 4.356 -16.081 108 HG2 LYS 19 1HG LYS 19 -2.312 2.432 -17.313 109 HG3 LYS 19 2HG LYS 19 -3.204 1.377 -16.215 110 HD2 LYS 19 1HD LYS 19 -4.691 3.512 -17.666 111 HD3 LYS 19 2HD LYS 19 -4.196 2.072 -18.559 112 HE2 LYS 19 1HE LYS 19 -5.781 2.052 -15.992 113 HE3 LYS 19 2HE LYS 19 -6.478 1.907 -17.605 114 HZ1 LYS 19 1HZ LYS 19 -4.711 -0.001 -16.198 115 HZ2 LYS 19 2HZ LYS 19 -4.936 -0.069 -17.873 116 HZ3 LYS 19 3HZ LYS 19 -6.255 -0.272 -16.833 117 H ASN 20 H ASN 20 -1.466 3.000 -12.569 118 HA ASN 20 HA ASN 20 -2.217 5.663 -11.575 119 HB2 ASN 20 1HB ASN 20 -2.373 2.912 -10.374 120 HB3 ASN 20 2HB ASN 20 -2.394 4.342 -9.347 121 HD21 ASN 20 1HD2 ASN 20 -4.174 2.327 -11.434 122 HD22 ASN 20 2HD2 ASN 20 -5.668 3.194 -11.376 123 H VAL 21 H VAL 21 0.324 3.295 -11.655 124 HA VAL 21 HA VAL 21 1.942 4.884 -9.790 125 HB VAL 21 HB VAL 21 2.414 2.113 -10.899 126 HG11 VAL 21 1HG1 VAL 21 4.562 2.884 -10.550 127 HG12 VAL 21 2HG1 VAL 21 4.085 3.917 -9.200 128 HG13 VAL 21 3HG1 VAL 21 4.177 2.169 -8.985 129 HG21 VAL 21 1HG2 VAL 21 1.239 1.346 -9.178 130 HG22 VAL 21 2HG2 VAL 21 2.223 2.273 -8.045 131 HG23 VAL 21 3HG2 VAL 21 0.796 3.005 -8.778 132 H LEU 22 H LEU 22 2.588 3.021 -12.766 133 HA LEU 22 HA LEU 22 4.899 4.415 -13.481 134 HB2 LEU 22 1HB LEU 22 2.981 3.129 -15.410 135 HB3 LEU 22 2HB LEU 22 4.713 3.376 -15.619 136 HG LEU 22 HG LEU 22 3.404 1.461 -13.689 137 HD11 LEU 22 1HD1 LEU 22 4.408 1.232 -16.437 138 HD12 LEU 22 2HD1 LEU 22 3.255 0.228 -15.558 139 HD13 LEU 22 3HD1 LEU 22 4.987 -0.009 -15.325 140 HD21 LEU 22 1HD2 LEU 22 6.332 1.591 -14.295 141 HD22 LEU 22 2HD2 LEU 22 5.506 0.854 -12.922 142 HD23 LEU 22 3HD2 LEU 22 5.628 2.610 -13.039 143 H ASP 23 H ASP 23 1.517 4.984 -14.316 144 HA ASP 23 HA ASP 23 2.136 7.183 -16.070 145 HB2 ASP 23 1HB ASP 23 -0.335 5.824 -15.121 146 HB3 ASP 23 2HB ASP 23 -0.490 7.490 -15.674 147 H SER 24 H SER 24 2.473 6.940 -12.888 148 HA SER 24 HA SER 24 1.722 9.750 -12.430 149 HB2 SER 24 1HB SER 24 0.273 7.965 -11.245 150 HB3 SER 24 2HB SER 24 1.686 7.704 -10.222 151 HG SER 24 HG SER 24 0.766 9.284 -9.140 152 H GLU 25 H GLU 25 3.366 11.004 -11.854 153 HA GLU 25 HA GLU 25 5.952 9.822 -11.330 154 HB2 GLU 25 1HB GLU 25 5.053 12.697 -11.566 155 HB3 GLU 25 2HB GLU 25 6.720 12.208 -11.295 156 HG2 GLU 25 1HG GLU 25 6.752 11.036 -13.414 157 HG3 GLU 25 2HG GLU 25 5.057 11.438 -13.682 158 H ASP 26 H ASP 26 4.061 9.269 -9.318 159 HA ASP 26 HA ASP 26 5.245 10.734 -7.053 160 HB2 ASP 26 1HB ASP 26 2.382 9.938 -7.520 161 HB3 ASP 26 2HB ASP 26 2.999 10.192 -5.890 162 H VAL 27 H VAL 27 5.350 9.524 -5.044 163 HA VAL 27 HA VAL 27 6.288 6.865 -5.462 164 HB VAL 27 HB VAL 27 5.749 8.298 -2.857 165 HG11 VAL 27 1HG1 VAL 27 7.615 5.988 -3.331 166 HG12 VAL 27 2HG1 VAL 27 7.080 6.663 -1.791 167 HG13 VAL 27 3HG1 VAL 27 5.946 5.773 -2.807 168 HG21 VAL 27 1HG2 VAL 27 7.538 9.042 -4.772 169 HG22 VAL 27 2HG2 VAL 27 7.716 9.365 -3.048 170 HG23 VAL 27 3HG2 VAL 27 8.514 7.968 -3.770 171 H TRP 28 H TRP 28 5.168 5.037 -5.456 172 HA TRP 28 HA TRP 28 2.529 5.014 -4.143 173 HB2 TRP 28 1HB TRP 28 3.458 3.819 -6.734 174 HB3 TRP 28 2HB TRP 28 2.110 3.094 -5.861 175 HD1 TRP 28 HD TRP 28 3.071 6.247 -7.805 176 HE1 TRP 28 1HE TRP 28 0.921 7.527 -8.409 177 HE3 TRP 28 3HE TRP 28 -0.296 3.493 -5.118 178 HZ2 TRP 28 2HZ TRP 28 -1.837 7.389 -7.822 179 HZ3 TRP 28 3HZ TRP 28 -2.670 4.133 -5.193 180 HH2 TRP 28 HH TRP 28 -3.423 6.042 -6.517 181 H MET 29 H MET 29 2.604 3.867 -2.331 182 HA MET 29 HA MET 29 4.542 1.718 -2.031 183 HB2 MET 29 1HB MET 29 2.827 3.310 -0.192 184 HB3 MET 29 2HB MET 29 3.288 1.693 0.322 185 HG2 MET 29 1HG MET 29 5.675 2.361 -0.149 186 HG3 MET 29 2HG MET 29 5.082 4.011 -0.319 187 HE1 MET 29 1HE MET 29 6.501 1.431 1.862 188 HE2 MET 29 2HE MET 29 7.352 2.975 1.915 189 HE3 MET 29 3HE MET 29 6.627 2.317 3.383 190 H VAL 30 H VAL 30 3.915 -0.120 -3.006 191 HA VAL 30 HA VAL 30 1.133 -0.985 -2.839 192 HB VAL 30 HB VAL 30 3.466 -2.206 -4.320 193 HG11 VAL 30 1HG1 VAL 30 1.659 -3.476 -5.508 194 HG12 VAL 30 2HG1 VAL 30 1.906 -3.937 -3.822 195 HG13 VAL 30 3HG1 VAL 30 0.539 -2.914 -4.267 196 HG21 VAL 30 1HG2 VAL 30 1.118 -0.644 -5.387 197 HG22 VAL 30 2HG2 VAL 30 2.737 0.015 -5.149 198 HG23 VAL 30 3HG2 VAL 30 2.475 -1.283 -6.314 199 H GLU 31 H GLU 31 0.498 -2.211 -1.202 200 HA GLU 31 HA GLU 31 2.449 -4.057 0.013 201 HB2 GLU 31 1HB GLU 31 1.747 -2.186 1.497 202 HB3 GLU 31 2HB GLU 31 0.086 -2.746 1.368 203 HG2 GLU 31 1HG GLU 31 0.636 -4.808 2.465 204 HG3 GLU 31 2HG GLU 31 2.350 -4.394 2.467 205 H PHE 32 H PHE 32 2.018 -6.021 -0.773 206 HA PHE 32 HA PHE 32 -0.633 -6.840 -1.510 207 HB2 PHE 32 1HB PHE 32 1.857 -8.538 -1.265 208 HB3 PHE 32 2HB PHE 32 0.391 -8.939 -2.153 209 HD1 PHE 32 2HD PHE 32 3.276 -6.629 -2.055 210 HD2 PHE 32 1HD PHE 32 0.083 -8.231 -4.369 211 HE1 PHE 32 2HE PHE 32 4.222 -5.589 -4.075 212 HE2 PHE 32 1HE PHE 32 1.025 -7.194 -6.392 213 HZ PHE 32 HZ PHE 32 3.096 -5.870 -6.247 214 H TYR 33 H TYR 33 -2.115 -7.683 -0.215 215 HA TYR 33 HA TYR 33 -1.234 -9.069 2.229 216 HB2 TYR 33 1HB TYR 33 -2.960 -8.056 3.509 217 HB3 TYR 33 2HB TYR 33 -2.177 -6.748 2.630 218 HD1 TYR 33 1HD TYR 33 -5.141 -8.988 2.578 219 HD2 TYR 33 2HD TYR 33 -3.423 -5.336 1.230 220 HE1 TYR 33 1HE TYR 33 -7.321 -8.306 1.666 221 HE2 TYR 33 2HE TYR 33 -5.598 -4.644 0.315 222 HH TYR 33 HH TYR 33 -8.463 -6.039 1.126 223 H ALA 34 H ALA 34 -2.905 -10.539 3.126 224 HA ALA 34 HA ALA 34 -4.578 -11.696 0.992 225 HB1 ALA 34 1HB ALA 34 -2.929 -13.294 1.177 226 HB2 ALA 34 2HB ALA 34 -2.713 -13.026 2.907 227 HB3 ALA 34 3HB ALA 34 -4.131 -13.895 2.319 228 HA PRO 35 HA PRO 35 -7.868 -11.015 3.883 229 HB2 PRO 35 1HB PRO 35 -9.781 -12.381 2.527 230 HB3 PRO 35 2HB PRO 35 -9.219 -10.778 2.040 231 HG2 PRO 35 1HG PRO 35 -8.446 -13.463 0.966 232 HG3 PRO 35 2HG PRO 35 -8.800 -11.965 0.085 233 HD2 PRO 35 1HD PRO 35 -6.273 -12.813 0.563 234 HD3 PRO 35 2HD PRO 35 -6.703 -11.092 0.476 235 H TRP 36 H TRP 36 -6.309 -13.916 3.253 236 HA TRP 36 HA TRP 36 -7.846 -15.271 5.370 237 HB2 TRP 36 1HB TRP 36 -6.910 -17.404 4.120 238 HB3 TRP 36 2HB TRP 36 -8.395 -16.620 3.587 239 HD1 TRP 36 HD TRP 36 -8.486 -15.919 1.116 240 HE1 TRP 36 1HE TRP 36 -6.777 -15.747 -0.801 241 HE3 TRP 36 3HE TRP 36 -4.206 -16.831 3.759 242 HZ2 TRP 36 2HZ TRP 36 -3.985 -15.970 -1.148 243 HZ3 TRP 36 3HZ TRP 36 -2.057 -16.835 2.560 244 HH2 TRP 36 HH TRP 36 -1.951 -16.413 0.157 245 H CYS 37 H CYS 37 -5.411 -13.583 5.464 246 HA CYS 37 HA CYS 37 -3.606 -15.571 6.674 247 HB2 CYS 37 1HB CYS 37 -2.765 -14.519 4.513 248 HB3 CYS 37 2HB CYS 37 -2.675 -13.000 5.397 249 HG CYS 37 HG CYS 37 -0.931 -15.838 6.186 250 H GLY 38 H GLY 38 -3.618 -15.335 8.806 251 HA2 GLY 38 1HA GLY 38 -4.659 -13.136 10.188 252 HA3 GLY 38 2HA GLY 38 -3.626 -14.374 10.889 253 H HIS 39 H HIS 39 -1.234 -14.117 10.255 254 HA HIS 39 HA HIS 39 -0.088 -12.000 11.435 255 HB2 HIS 39 1HB HIS 39 0.945 -14.082 10.165 256 HB3 HIS 39 2HB HIS 39 1.213 -12.889 8.898 257 HD1 HIS 39 1HD HIS 39 3.375 -11.710 9.054 258 HD2 HIS 39 2HD HIS 39 2.114 -13.111 12.757 259 HE1 HIS 39 1HE HIS 39 5.230 -11.142 10.656 260 HE2 HIS 39 2HE HIS 39 4.481 -12.076 12.872 261 H CYS 40 H CYS 40 -1.555 -11.989 8.284 262 HA CYS 40 HA CYS 40 -0.484 -9.394 7.576 263 HB2 CYS 40 1HB CYS 40 -1.205 -11.426 6.024 264 HB3 CYS 40 2HB CYS 40 -2.766 -10.618 6.095 265 HG CYS 40 HG CYS 40 0.090 -9.626 4.586 266 H LYS 41 H LYS 41 -3.583 -10.767 8.588 267 HA LYS 41 HA LYS 41 -5.224 -8.566 8.306 268 HB2 LYS 41 1HB LYS 41 -6.743 -9.706 9.579 269 HB3 LYS 41 2HB LYS 41 -5.637 -11.026 9.221 270 HG2 LYS 41 1HG LYS 41 -4.570 -10.769 11.372 271 HG3 LYS 41 2HG LYS 41 -5.575 -9.362 11.730 272 HD2 LYS 41 1HD LYS 41 -6.866 -11.971 11.052 273 HD3 LYS 41 2HD LYS 41 -6.220 -11.712 12.674 274 HE2 LYS 41 1HE LYS 41 -7.637 -9.813 13.005 275 HE3 LYS 41 2HE LYS 41 -8.156 -9.841 11.320 276 HZ1 LYS 41 1HZ LYS 41 -9.649 -10.864 13.161 277 HZ2 LYS 41 2HZ LYS 41 -8.625 -12.201 13.006 278 HZ3 LYS 41 3HZ LYS 41 -9.500 -11.647 11.669 279 H ASN 42 H ASN 42 -2.877 -9.269 10.825 280 HA ASN 42 HA ASN 42 -3.656 -7.213 12.608 281 HB2 ASN 42 1HB ASN 42 -1.016 -8.645 12.251 282 HB3 ASN 42 2HB ASN 42 -1.361 -7.534 13.573 283 HD21 ASN 42 1HD2 ASN 42 -1.047 -10.636 12.979 284 HD22 ASN 42 2HD2 ASN 42 -2.218 -11.311 14.056 285 H LEU 43 H LEU 43 -1.888 -7.212 9.661 286 HA LEU 43 HA LEU 43 -0.623 -4.647 10.171 287 HB2 LEU 43 1HB LEU 43 0.765 -5.999 8.915 288 HB3 LEU 43 2HB LEU 43 -0.564 -6.645 7.954 289 HG LEU 43 HG LEU 43 -0.673 -4.185 7.035 290 HD11 LEU 43 1HD1 LEU 43 1.548 -3.168 6.887 291 HD12 LEU 43 2HD1 LEU 43 2.187 -4.410 7.963 292 HD13 LEU 43 3HD1 LEU 43 0.985 -3.264 8.556 293 HD21 LEU 43 1HD2 LEU 43 1.676 -5.604 5.961 294 HD22 LEU 43 2HD2 LEU 43 0.222 -5.029 5.145 295 HD23 LEU 43 3HD2 LEU 43 0.184 -6.541 6.053 296 H GLU 44 H GLU 44 -3.383 -5.958 8.482 297 HA GLU 44 HA GLU 44 -4.134 -4.188 6.636 298 HB2 GLU 44 1HB GLU 44 -5.806 -5.701 6.979 299 HB3 GLU 44 2HB GLU 44 -5.660 -5.629 8.729 300 HG2 GLU 44 1HG GLU 44 -7.789 -4.753 8.092 301 HG3 GLU 44 2HG GLU 44 -6.789 -3.433 8.695 302 HA PRO 45 HA PRO 45 -5.704 -0.910 9.823 303 HB2 PRO 45 1HB PRO 45 -5.010 -1.274 12.423 304 HB3 PRO 45 2HB PRO 45 -6.492 -1.935 11.723 305 HG2 PRO 45 1HG PRO 45 -3.874 -3.290 12.237 306 HG3 PRO 45 2HG PRO 45 -5.518 -3.888 12.525 307 HD2 PRO 45 1HD PRO 45 -4.058 -4.624 10.367 308 HD3 PRO 45 2HD PRO 45 -5.826 -4.476 10.318 309 H GLU 46 H GLU 46 -2.597 -2.423 10.601 310 HA GLU 46 HA GLU 46 -1.264 -0.109 11.473 311 HB2 GLU 46 1HB GLU 46 -0.190 -2.620 10.179 312 HB3 GLU 46 2HB GLU 46 0.819 -1.377 10.906 313 HG2 GLU 46 1HG GLU 46 -1.070 -3.278 12.230 314 HG3 GLU 46 2HG GLU 46 0.639 -2.997 12.557 315 H TRP 47 H TRP 47 -1.905 -1.382 8.281 316 HA TRP 47 HA TRP 47 -0.102 0.446 6.964 317 HB2 TRP 47 1HB TRP 47 -0.640 -1.827 6.066 318 HB3 TRP 47 2HB TRP 47 -2.278 -1.265 5.745 319 HD1 TRP 47 HD TRP 47 -2.680 0.081 3.550 320 HE1 TRP 47 1HE TRP 47 -1.180 0.786 1.580 321 HE3 TRP 47 3HE TRP 47 1.881 -1.077 5.549 322 HZ2 TRP 47 2HZ TRP 47 1.573 0.842 0.957 323 HZ3 TRP 47 3HZ TRP 47 3.898 -0.668 4.200 324 HH2 TRP 47 HH TRP 47 3.745 0.271 1.952 325 H ALA 48 H ALA 48 -3.603 0.142 7.410 326 HA ALA 48 HA ALA 48 -4.499 2.192 5.799 327 HB1 ALA 48 1HB ALA 48 -6.278 1.109 6.675 328 HB2 ALA 48 2HB ALA 48 -5.502 0.870 8.241 329 HB3 ALA 48 3HB ALA 48 -6.221 2.430 7.842 330 H ALA 49 H ALA 49 -3.743 2.470 9.279 331 HA ALA 49 HA ALA 49 -4.053 5.210 9.525 332 HB1 ALA 49 1HB ALA 49 -1.872 3.849 11.036 333 HB2 ALA 49 2HB ALA 49 -3.065 5.023 11.592 334 HB3 ALA 49 3HB ALA 49 -3.545 3.352 11.294 335 H ALA 50 H ALA 50 -1.027 3.431 8.893 336 HA ALA 50 HA ALA 50 0.774 5.456 8.717 337 HB1 ALA 50 1HB ALA 50 2.148 3.954 7.762 338 HB2 ALA 50 2HB ALA 50 0.834 2.824 8.095 339 HB3 ALA 50 3HB ALA 50 0.992 3.546 6.494 340 H ALA 51 H ALA 51 -1.201 4.305 5.976 341 HA ALA 51 HA ALA 51 -0.421 6.029 4.016 342 HB1 ALA 51 1HB ALA 51 -2.742 5.852 3.119 343 HB2 ALA 51 2HB ALA 51 -2.010 4.305 3.548 344 HB3 ALA 51 3HB ALA 51 -3.204 5.042 4.616 345 H SER 52 H SER 52 -2.727 6.697 6.618 346 HA SER 52 HA SER 52 -3.372 9.320 5.701 347 HB2 SER 52 1HB SER 52 -4.627 7.694 7.379 348 HB3 SER 52 2HB SER 52 -3.677 8.571 8.578 349 HG SER 52 HG SER 52 -4.609 10.447 7.116 350 H GLU 53 H GLU 53 -1.100 8.005 8.061 351 HA GLU 53 HA GLU 53 -0.220 10.588 8.954 352 HB2 GLU 53 1HB GLU 53 -0.023 8.859 10.550 353 HB3 GLU 53 2HB GLU 53 0.758 7.778 9.403 354 HG2 GLU 53 1HG GLU 53 2.802 8.735 9.672 355 HG3 GLU 53 2HG GLU 53 2.134 10.320 10.058 356 H VAL 54 H VAL 54 0.427 8.650 6.257 357 HA VAL 54 HA VAL 54 3.108 9.717 5.835 358 HB VAL 54 HB VAL 54 1.447 7.732 4.289 359 HG11 VAL 54 1HG1 VAL 54 3.989 9.119 3.546 360 HG12 VAL 54 2HG1 VAL 54 3.693 7.464 3.010 361 HG13 VAL 54 3HG1 VAL 54 2.580 8.753 2.551 362 HG21 VAL 54 1HG2 VAL 54 3.988 6.739 4.991 363 HG22 VAL 54 2HG2 VAL 54 3.346 7.545 6.422 364 HG23 VAL 54 3HG2 VAL 54 2.420 6.262 5.643 365 H LYS 55 H LYS 55 -0.113 9.848 4.370 366 HA LYS 55 HA LYS 55 0.634 11.561 2.227 367 HB2 LYS 55 1HB LYS 55 -1.626 11.604 1.657 368 HB3 LYS 55 2HB LYS 55 -1.453 10.050 2.461 369 HG2 LYS 55 1HG LYS 55 -2.421 10.919 4.476 370 HG3 LYS 55 2HG LYS 55 -2.448 12.552 3.807 371 HD2 LYS 55 1HD LYS 55 -3.861 11.358 1.912 372 HD3 LYS 55 2HD LYS 55 -4.201 10.221 3.219 373 HE2 LYS 55 1HE LYS 55 -4.625 13.205 3.352 374 HE3 LYS 55 2HE LYS 55 -5.888 12.015 3.042 375 HZ1 LYS 55 1HZ LYS 55 -5.972 11.419 5.190 376 HZ2 LYS 55 2HZ LYS 55 -5.276 12.936 5.467 377 HZ3 LYS 55 3HZ LYS 55 -4.302 11.553 5.424 378 H GLU 56 H GLU 56 -0.420 12.086 5.517 379 HA GLU 56 HA GLU 56 -1.024 14.853 5.231 380 HB2 GLU 56 1HB GLU 56 -1.412 14.864 7.511 381 HB3 GLU 56 2HB GLU 56 -1.688 13.174 7.114 382 HG2 GLU 56 1HG GLU 56 0.463 12.555 7.945 383 HG3 GLU 56 2HG GLU 56 0.920 14.244 8.158 384 H GLN 57 H GLN 57 1.870 13.036 6.054 385 HA GLN 57 HA GLN 57 3.380 15.421 6.682 386 HB2 GLN 57 1HB GLN 57 4.141 12.509 6.460 387 HB3 GLN 57 2HB GLN 57 5.303 13.779 6.819 388 HG2 GLN 57 1HG GLN 57 3.919 14.382 8.803 389 HG3 GLN 57 2HG GLN 57 2.932 12.959 8.475 390 HE21 GLN 57 1HE2 GLN 57 4.354 10.925 8.116 391 HE22 GLN 57 2HE2 GLN 57 5.571 10.667 9.315 392 H THR 58 H THR 58 3.262 13.021 4.078 393 HA THR 58 HA THR 58 5.302 14.359 2.545 394 HB THR 58 HB THR 58 4.852 12.700 0.815 395 HG1 THR 58 1HG THR 58 2.568 12.225 2.402 396 HG21 THR 58 1HG2 THR 58 6.208 12.129 2.873 397 HG22 THR 58 2HG2 THR 58 5.538 10.755 1.994 398 HG23 THR 58 3HG2 THR 58 4.775 11.306 3.485 399 H LYS 59 H LYS 59 2.479 15.497 3.272 400 HA LYS 59 HA LYS 59 0.932 16.876 2.328 401 HB2 LYS 59 1HB LYS 59 3.144 17.284 0.307 402 HB3 LYS 59 2HB LYS 59 1.741 18.326 0.502 403 HG2 LYS 59 1HG LYS 59 3.528 17.820 2.835 404 HG3 LYS 59 2HG LYS 59 4.019 18.967 1.586 405 HD2 LYS 59 1HD LYS 59 1.329 19.101 2.926 406 HD3 LYS 59 2HD LYS 59 2.754 19.907 3.587 407 HE2 LYS 59 1HE LYS 59 1.606 20.341 0.831 408 HE3 LYS 59 2HE LYS 59 1.394 21.418 2.211 409 HZ1 LYS 59 1HZ LYS 59 3.972 21.401 2.217 410 HZ2 LYS 59 2HZ LYS 59 3.145 22.385 1.118 411 HZ3 LYS 59 3HZ LYS 59 3.804 20.914 0.605 412 H GLY 60 H GLY 60 1.055 14.032 1.460 413 HA2 GLY 60 1HA GLY 60 -0.556 12.898 0.168 414 HA3 GLY 60 2HA GLY 60 -0.731 14.332 -0.832 415 H LYS 61 H LYS 61 2.390 14.296 -0.807 416 HA LYS 61 HA LYS 61 2.819 13.402 -3.363 417 HB2 LYS 61 1HB LYS 61 4.509 14.702 -2.319 418 HB3 LYS 61 2HB LYS 61 4.689 13.547 -1.004 419 HG2 LYS 61 1HG LYS 61 6.566 13.432 -2.542 420 HG3 LYS 61 2HG LYS 61 5.649 11.923 -2.547 421 HD2 LYS 61 1HD LYS 61 4.642 12.437 -4.629 422 HD3 LYS 61 2HD LYS 61 5.199 14.111 -4.566 423 HE2 LYS 61 1HE LYS 61 7.567 13.034 -4.508 424 HE3 LYS 61 2HE LYS 61 6.742 11.616 -5.153 425 HZ1 LYS 61 1HZ LYS 61 6.912 12.542 -7.142 426 HZ2 LYS 61 2HZ LYS 61 7.532 13.977 -6.497 427 HZ3 LYS 61 3HZ LYS 61 5.859 13.769 -6.644 428 H VAL 62 H VAL 62 3.857 11.574 -0.478 429 HA VAL 62 HA VAL 62 4.049 9.140 -2.012 430 HB VAL 62 HB VAL 62 4.299 9.495 0.977 431 HG11 VAL 62 1HG1 VAL 62 4.587 7.224 -0.861 432 HG12 VAL 62 2HG1 VAL 62 5.912 7.424 0.287 433 HG13 VAL 62 3HG1 VAL 62 4.256 7.250 0.870 434 HG21 VAL 62 1HG2 VAL 62 6.520 9.430 -1.058 435 HG22 VAL 62 2HG2 VAL 62 5.864 10.915 -0.368 436 HG23 VAL 62 3HG2 VAL 62 6.656 9.733 0.675 437 H LYS 63 H LYS 63 2.285 8.033 -2.531 438 HA LYS 63 HA LYS 63 0.013 8.005 -0.672 439 HB2 LYS 63 1HB LYS 63 0.133 7.212 -3.588 440 HB3 LYS 63 2HB LYS 63 -1.314 7.223 -2.589 441 HG2 LYS 63 1HG LYS 63 -1.449 9.519 -2.567 442 HG3 LYS 63 2HG LYS 63 0.274 9.729 -2.891 443 HD2 LYS 63 1HD LYS 63 -0.705 10.317 -4.912 444 HD3 LYS 63 2HD LYS 63 -0.268 8.627 -5.171 445 HE2 LYS 63 1HE LYS 63 -2.463 7.903 -5.012 446 HE3 LYS 63 2HE LYS 63 -2.975 9.331 -4.114 447 HZ1 LYS 63 1HZ LYS 63 -3.849 9.646 -6.225 448 HZ2 LYS 63 2HZ LYS 63 -2.469 9.062 -7.009 449 HZ3 LYS 63 3HZ LYS 63 -2.438 10.578 -6.260 450 H LEU 64 H LEU 64 -0.907 6.088 0.030 451 HA LEU 64 HA LEU 64 0.757 3.692 -0.368 452 HB2 LEU 64 1HB LEU 64 -0.687 4.805 1.971 453 HB3 LEU 64 2HB LEU 64 -0.630 3.050 1.814 454 HG LEU 64 HG LEU 64 1.893 3.288 1.666 455 HD11 LEU 64 1HD1 LEU 64 1.931 5.751 3.167 456 HD12 LEU 64 2HD1 LEU 64 1.267 5.997 1.552 457 HD13 LEU 64 3HD1 LEU 64 2.867 5.281 1.748 458 HD21 LEU 64 1HD2 LEU 64 1.107 4.311 4.319 459 HD22 LEU 64 2HD2 LEU 64 2.025 2.869 3.881 460 HD23 LEU 64 3HD2 LEU 64 0.264 2.865 3.763 461 H ALA 65 H ALA 65 -0.112 2.072 -1.468 462 HA ALA 65 HA ALA 65 -3.051 1.859 -1.574 463 HB1 ALA 65 1HB ALA 65 -1.595 0.722 -3.848 464 HB2 ALA 65 2HB ALA 65 -3.054 1.714 -3.811 465 HB3 ALA 65 3HB ALA 65 -1.467 2.475 -3.701 466 H ALA 66 H ALA 66 -3.833 -0.350 -2.093 467 HA ALA 66 HA ALA 66 -2.017 -2.439 -1.087 468 HB1 ALA 66 1HB ALA 66 -4.911 -2.058 -0.330 469 HB2 ALA 66 2HB ALA 66 -3.921 -3.450 0.111 470 HB3 ALA 66 3HB ALA 66 -3.510 -1.846 0.719 471 H VAL 67 H VAL 67 -2.437 -4.570 -1.839 472 HA VAL 67 HA VAL 67 -4.329 -4.823 -4.061 473 HB VAL 67 HB VAL 67 -1.427 -5.639 -4.255 474 HG11 VAL 67 1HG1 VAL 67 -3.448 -5.703 -6.470 475 HG12 VAL 67 2HG1 VAL 67 -1.883 -6.513 -6.373 476 HG13 VAL 67 3HG1 VAL 67 -3.231 -7.074 -5.383 477 HG21 VAL 67 1HG2 VAL 67 -1.430 -3.956 -6.138 478 HG22 VAL 67 2HG2 VAL 67 -2.974 -3.381 -5.508 479 HG23 VAL 67 3HG2 VAL 67 -1.523 -3.285 -4.509 480 H ASP 68 H ASP 68 -5.202 -6.839 -4.311 481 HA ASP 68 HA ASP 68 -4.662 -8.730 -2.153 482 HB2 ASP 68 1HB ASP 68 -6.884 -8.648 -4.206 483 HB3 ASP 68 2HB ASP 68 -6.752 -9.830 -2.906 484 H ALA 69 H ALA 69 -2.809 -9.793 -2.752 485 HA ALA 69 HA ALA 69 -2.034 -10.655 -5.247 486 HB1 ALA 69 1HB ALA 69 -0.397 -11.830 -4.195 487 HB2 ALA 69 2HB ALA 69 -0.923 -10.831 -2.840 488 HB3 ALA 69 3HB ALA 69 -1.495 -12.493 -2.984 489 H THR 70 H THR 70 -4.655 -11.772 -3.373 490 HA THR 70 HA THR 70 -4.822 -14.439 -4.319 491 HB THR 70 HB THR 70 -7.117 -14.425 -3.499 492 HG1 THR 70 1HG THR 70 -7.890 -12.377 -2.591 493 HG21 THR 70 1HG2 THR 70 -5.291 -12.886 -1.649 494 HG22 THR 70 2HG2 THR 70 -5.286 -14.636 -1.867 495 HG23 THR 70 3HG2 THR 70 -6.696 -13.838 -1.172 496 H VAL 71 H VAL 71 -5.949 -11.359 -5.554 497 HA VAL 71 HA VAL 71 -7.182 -12.743 -7.842 498 HB VAL 71 HB VAL 71 -8.561 -11.106 -6.430 499 HG11 VAL 71 1HG1 VAL 71 -8.210 -8.839 -6.562 500 HG12 VAL 71 2HG1 VAL 71 -6.548 -9.431 -6.567 501 HG13 VAL 71 3HG1 VAL 71 -7.320 -8.955 -8.080 502 HG21 VAL 71 1HG2 VAL 71 -8.319 -10.728 -9.413 503 HG22 VAL 71 2HG2 VAL 71 -9.319 -11.918 -8.579 504 HG23 VAL 71 3HG2 VAL 71 -9.688 -10.199 -8.435 505 H ASN 72 H ASN 72 -4.866 -10.283 -6.891 506 HA ASN 72 HA ASN 72 -4.253 -9.526 -9.604 507 HB2 ASN 72 1HB ASN 72 -3.304 -8.742 -6.891 508 HB3 ASN 72 2HB ASN 72 -2.219 -8.454 -8.248 509 HD21 ASN 72 1HD2 ASN 72 -5.523 -7.899 -7.134 510 HD22 ASN 72 2HD2 ASN 72 -5.730 -6.386 -7.942 511 H GLN 73 H GLN 73 -3.239 -10.942 -10.870 512 HA GLN 73 HA GLN 73 -1.044 -12.532 -9.718 513 HB2 GLN 73 1HB GLN 73 -2.742 -13.090 -12.157 514 HB3 GLN 73 2HB GLN 73 -1.407 -14.092 -11.604 515 HG2 GLN 73 1HG GLN 73 -3.673 -13.496 -9.759 516 HG3 GLN 73 2HG GLN 73 -3.855 -14.725 -11.010 517 HE21 GLN 73 1HE2 GLN 73 -3.757 -14.905 -8.056 518 HE22 GLN 73 2HE2 GLN 73 -2.508 -16.048 -7.712 519 H VAL 74 H VAL 74 -2.026 -10.561 -12.477 520 HA VAL 74 HA VAL 74 0.186 -10.753 -14.101 521 HB VAL 74 HB VAL 74 -1.351 -8.215 -13.526 522 HG11 VAL 74 1HG1 VAL 74 0.082 -7.276 -14.944 523 HG12 VAL 74 2HG1 VAL 74 0.836 -8.830 -15.305 524 HG13 VAL 74 3HG1 VAL 74 -0.590 -8.311 -16.204 525 HG21 VAL 74 1HG2 VAL 74 -1.936 -9.930 -15.876 526 HG22 VAL 74 2HG2 VAL 74 -2.522 -10.469 -14.302 527 HG23 VAL 74 3HG2 VAL 74 -3.009 -8.896 -14.934 528 H LEU 75 H LEU 75 -0.226 -8.805 -11.188 529 HA LEU 75 HA LEU 75 2.437 -7.668 -11.459 530 HB2 LEU 75 1HB LEU 75 0.546 -7.353 -9.142 531 HB3 LEU 75 2HB LEU 75 1.900 -6.315 -9.584 532 HG LEU 75 HG LEU 75 -0.563 -6.618 -11.291 533 HD11 LEU 75 1HD1 LEU 75 -1.329 -5.750 -9.205 534 HD12 LEU 75 2HD1 LEU 75 -1.216 -4.404 -10.339 535 HD13 LEU 75 3HD1 LEU 75 0.029 -4.627 -9.109 536 HD21 LEU 75 1HD2 LEU 75 1.255 -4.255 -11.242 537 HD22 LEU 75 2HD2 LEU 75 0.261 -4.887 -12.555 538 HD23 LEU 75 3HD2 LEU 75 1.756 -5.709 -12.107 539 H ALA 76 H ALA 76 0.676 -9.608 -9.040 540 HA ALA 76 HA ALA 76 2.626 -10.143 -7.231 541 HB1 ALA 76 1HB ALA 76 0.437 -11.878 -8.311 542 HB2 ALA 76 2HB ALA 76 1.542 -12.479 -7.075 543 HB3 ALA 76 3HB ALA 76 0.546 -11.060 -6.752 544 H SER 77 H SER 77 2.180 -11.790 -10.341 545 HA SER 77 HA SER 77 4.397 -13.556 -9.961 546 HB2 SER 77 1HB SER 77 2.410 -14.002 -11.460 547 HB3 SER 77 2HB SER 77 3.085 -12.823 -12.585 548 HG SER 77 HG SER 77 3.673 -15.366 -12.426 549 H ARG 78 H ARG 78 3.880 -10.548 -11.758 550 HA ARG 78 HA ARG 78 6.144 -10.277 -13.212 551 HB2 ARG 78 1HB ARG 78 4.302 -8.584 -12.966 552 HB3 ARG 78 2HB ARG 78 5.060 -8.063 -11.468 553 HG2 ARG 78 1HG ARG 78 7.167 -7.733 -12.937 554 HG3 ARG 78 2HG ARG 78 6.019 -7.752 -14.278 555 HD2 ARG 78 1HD ARG 78 5.016 -5.794 -13.625 556 HD3 ARG 78 2HD ARG 78 5.448 -6.014 -11.929 557 HE ARG 78 HE ARG 78 7.456 -4.965 -12.329 558 HH11 ARG 78 2HH1 ARG 78 5.886 -5.694 -15.350 559 HH12 ARG 78 1HH1 ARG 78 6.984 -4.749 -16.299 560 HH21 ARG 78 2HH2 ARG 78 8.909 -3.717 -13.568 561 HH22 ARG 78 1HH2 ARG 78 8.704 -3.625 -15.285 562 H TYR 79 H TYR 79 5.868 -9.524 -9.746 563 HA TYR 79 HA TYR 79 8.792 -9.343 -9.592 564 HB2 TYR 79 1HB TYR 79 6.841 -8.661 -7.397 565 HB3 TYR 79 2HB TYR 79 8.519 -8.154 -7.553 566 HD1 TYR 79 1HD TYR 79 9.142 -6.370 -9.103 567 HD2 TYR 79 2HD TYR 79 5.080 -7.540 -8.616 568 HE1 TYR 79 1HE TYR 79 8.418 -4.301 -10.218 569 HE2 TYR 79 2HE TYR 79 4.345 -5.475 -9.731 570 HH TYR 79 HH TYR 79 4.978 -3.513 -10.575 571 H GLY 80 H GLY 80 6.119 -11.334 -8.728 572 HA2 GLY 80 1HA GLY 80 6.213 -13.539 -7.983 573 HA3 GLY 80 2HA GLY 80 7.928 -13.331 -7.660 574 H ILE 81 H ILE 81 4.726 -12.367 -6.459 575 HA ILE 81 HA ILE 81 5.860 -12.016 -3.783 576 HB ILE 81 HB ILE 81 3.039 -11.441 -4.687 577 HG12 ILE 81 1HG1 ILE 81 4.786 -10.116 -5.915 578 HG13 ILE 81 2HG1 ILE 81 3.674 -9.141 -4.962 579 HG21 ILE 81 1HG2 ILE 81 2.659 -10.501 -2.641 580 HG22 ILE 81 2HG2 ILE 81 3.801 -11.762 -2.182 581 HG23 ILE 81 3HG2 ILE 81 4.358 -10.101 -2.385 582 HD11 ILE 81 1HD1 ILE 81 6.313 -8.790 -4.939 583 HD12 ILE 81 2HD1 ILE 81 5.286 -8.449 -3.545 584 HD13 ILE 81 3HD1 ILE 81 6.176 -9.969 -3.635 585 H ARG 82 H ARG 82 6.107 -14.010 -2.901 586 HA ARG 82 HA ARG 82 3.675 -15.658 -2.668 587 HB2 ARG 82 1HB ARG 82 6.465 -16.409 -3.361 588 HB3 ARG 82 2HB ARG 82 5.579 -17.509 -2.314 589 HG2 ARG 82 1HG ARG 82 3.911 -17.873 -3.952 590 HG3 ARG 82 2HG ARG 82 4.504 -16.541 -4.947 591 HD2 ARG 82 1HD ARG 82 6.729 -17.984 -4.878 592 HD3 ARG 82 2HD ARG 82 5.576 -19.290 -4.604 593 HE ARG 82 HE ARG 82 4.992 -17.554 -6.848 594 HH11 ARG 82 2HH1 ARG 82 6.485 -20.496 -5.737 595 HH12 ARG 82 1HH1 ARG 82 6.468 -21.248 -7.298 596 HH21 ARG 82 2HH2 ARG 82 4.964 -18.534 -8.908 597 HH22 ARG 82 1HH2 ARG 82 5.603 -20.131 -9.101 598 H GLY 83 H GLY 83 4.509 -13.577 -0.877 599 HA2 GLY 83 1HA GLY 83 4.386 -15.041 1.581 600 HA3 GLY 83 2HA GLY 83 5.962 -14.303 1.335 601 H PHE 84 H PHE 84 2.561 -13.710 1.874 602 HA PHE 84 HA PHE 84 2.996 -10.837 2.090 603 HB2 PHE 84 1HB PHE 84 0.378 -12.077 2.784 604 HB3 PHE 84 2HB PHE 84 0.719 -10.580 1.924 605 HD1 PHE 84 2HD PHE 84 2.387 -11.386 -0.276 606 HD2 PHE 84 1HD PHE 84 -0.951 -13.388 1.445 607 HE1 PHE 84 2HE PHE 84 1.969 -12.522 -2.418 608 HE2 PHE 84 1HE PHE 84 -1.375 -14.528 -0.694 609 HZ PHE 84 HZ PHE 84 0.086 -14.095 -2.629 610 HA PRO 85 HA PRO 85 1.552 -9.228 3.108 611 HB2 PRO 85 1HB PRO 85 2.648 -7.200 4.541 612 HB3 PRO 85 2HB PRO 85 1.100 -7.943 4.958 613 HG2 PRO 85 1HG PRO 85 3.813 -8.435 6.125 614 HG3 PRO 85 2HG PRO 85 2.253 -8.263 6.952 615 HD2 PRO 85 1HD PRO 85 3.391 -10.673 6.473 616 HD3 PRO 85 2HD PRO 85 1.632 -10.436 6.500 617 H THR 86 H THR 86 2.657 -7.694 1.762 618 HA THR 86 HA THR 86 5.579 -7.907 1.692 619 HB THR 86 HB THR 86 3.844 -8.312 -0.752 620 HG1 THR 86 1HG THR 86 5.207 -10.092 0.964 621 HG21 THR 86 1HG2 THR 86 5.729 -7.449 -1.692 622 HG22 THR 86 2HG2 THR 86 6.286 -9.112 -1.500 623 HG23 THR 86 3HG2 THR 86 6.745 -7.885 -0.319 624 H ILE 87 H ILE 87 6.125 -5.840 2.042 625 HA ILE 87 HA ILE 87 4.636 -3.711 0.690 626 HB ILE 87 HB ILE 87 6.720 -3.549 2.871 627 HG12 ILE 87 1HG1 ILE 87 3.837 -2.776 3.153 628 HG13 ILE 87 2HG1 ILE 87 4.302 -4.468 3.292 629 HG21 ILE 87 1HG2 ILE 87 5.896 -1.162 3.022 630 HG22 ILE 87 2HG2 ILE 87 6.890 -1.553 1.621 631 HG23 ILE 87 3HG2 ILE 87 5.140 -1.421 1.450 632 HD11 ILE 87 1HD1 ILE 87 5.298 -2.190 4.985 633 HD12 ILE 87 2HD1 ILE 87 4.181 -3.465 5.473 634 HD13 ILE 87 3HD1 ILE 87 5.858 -3.858 5.097 635 H LYS 88 H LYS 88 5.371 -3.012 -1.193 636 HA LYS 88 HA LYS 88 8.282 -2.907 -1.623 637 HB2 LYS 88 1HB LYS 88 6.204 -3.596 -3.709 638 HB3 LYS 88 2HB LYS 88 7.941 -3.497 -3.967 639 HG2 LYS 88 1HG LYS 88 6.937 -5.364 -1.887 640 HG3 LYS 88 2HG LYS 88 6.724 -5.800 -3.584 641 HD2 LYS 88 1HD LYS 88 9.265 -5.118 -3.730 642 HD3 LYS 88 2HD LYS 88 9.228 -5.473 -2.001 643 HE2 LYS 88 1HE LYS 88 8.152 -7.687 -2.641 644 HE3 LYS 88 2HE LYS 88 8.615 -7.313 -4.300 645 HZ1 LYS 88 1HZ LYS 88 10.464 -7.571 -1.991 646 HZ2 LYS 88 2HZ LYS 88 10.924 -7.165 -3.567 647 HZ3 LYS 88 3HZ LYS 88 10.274 -8.692 -3.243 648 H ILE 89 H ILE 89 9.049 -0.984 -2.233 649 HA ILE 89 HA ILE 89 7.129 1.151 -2.784 650 HB ILE 89 HB ILE 89 10.063 1.240 -2.087 651 HG12 ILE 89 1HG1 ILE 89 8.851 2.660 -0.173 652 HG13 ILE 89 2HG1 ILE 89 7.509 1.604 -0.601 653 HG21 ILE 89 1HG2 ILE 89 8.289 3.275 -3.241 654 HG22 ILE 89 2HG2 ILE 89 9.202 3.796 -1.826 655 HG23 ILE 89 3HG2 ILE 89 10.049 3.169 -3.240 656 HD11 ILE 89 1HD1 ILE 89 10.177 0.401 -0.073 657 HD12 ILE 89 2HD1 ILE 89 9.187 0.943 1.283 658 HD13 ILE 89 3HD1 ILE 89 8.565 -0.273 0.167 659 H PHE 90 H PHE 90 7.079 2.309 -4.653 660 HA PHE 90 HA PHE 90 8.968 1.522 -6.771 661 HB2 PHE 90 1HB PHE 90 5.995 2.014 -7.023 662 HB3 PHE 90 2HB PHE 90 7.086 1.821 -8.391 663 HD1 PHE 90 1HD PHE 90 5.681 0.109 -5.433 664 HD2 PHE 90 2HD PHE 90 7.732 -0.311 -9.139 665 HE1 PHE 90 1HE PHE 90 5.379 -2.331 -5.320 666 HE2 PHE 90 2HE PHE 90 7.432 -2.751 -9.033 667 HZ PHE 90 HZ PHE 90 6.254 -3.764 -7.122 668 H GLN 91 H GLN 91 10.058 3.158 -7.635 669 HA GLN 91 HA GLN 91 8.987 5.881 -7.295 670 HB2 GLN 91 1HB GLN 91 11.844 4.907 -7.314 671 HB3 GLN 91 2HB GLN 91 11.399 6.606 -7.406 672 HG2 GLN 91 1HG GLN 91 10.209 6.342 -5.237 673 HG3 GLN 91 2HG GLN 91 10.859 4.707 -5.139 674 HE21 GLN 91 1HE2 GLN 91 12.063 5.076 -3.315 675 HE22 GLN 91 2HE2 GLN 91 13.462 6.088 -3.297 676 H LYS 92 H LYS 92 9.002 7.270 -9.019 677 HA LYS 92 HA LYS 92 8.916 6.150 -11.611 678 HB2 LYS 92 1HB LYS 92 7.575 8.076 -11.131 679 HB3 LYS 92 2HB LYS 92 8.985 9.011 -10.652 680 HG2 LYS 92 1HG LYS 92 8.683 9.850 -12.736 681 HG3 LYS 92 2HG LYS 92 9.723 8.482 -13.139 682 HD2 LYS 92 1HD LYS 92 6.787 8.026 -13.065 683 HD3 LYS 92 2HD LYS 92 7.447 8.943 -14.421 684 HE2 LYS 92 1HE LYS 92 8.606 6.304 -13.580 685 HE3 LYS 92 2HE LYS 92 7.234 6.403 -14.682 686 HZ1 LYS 92 1HZ LYS 92 9.964 7.478 -15.096 687 HZ2 LYS 92 2HZ LYS 92 8.654 7.895 -16.080 688 HZ3 LYS 92 3HZ LYS 92 9.173 6.287 -16.000 689 H GLY 93 H GLY 93 10.566 5.578 -12.857 690 HA2 GLY 93 1HA GLY 93 12.500 6.043 -14.131 691 HA3 GLY 93 2HA GLY 93 12.926 7.302 -12.981 692 H GLU 94 H GLU 94 12.900 5.998 -10.593 693 HA GLU 94 HA GLU 94 15.305 4.412 -10.802 694 HB2 GLU 94 1HB GLU 94 13.696 5.207 -8.368 695 HB3 GLU 94 2HB GLU 94 15.290 4.465 -8.345 696 HG2 GLU 94 1HG GLU 94 15.822 6.666 -8.043 697 HG3 GLU 94 2HG GLU 94 15.961 6.523 -9.794 698 H SER 95 H SER 95 15.536 2.351 -9.640 699 HA SER 95 HA SER 95 13.444 0.542 -10.395 700 HB2 SER 95 1HB SER 95 14.946 -1.209 -9.552 701 HB3 SER 95 2HB SER 95 15.816 -0.085 -10.595 702 HG SER 95 HG SER 95 15.841 -0.198 -7.763 703 HA PRO 96 HA PRO 96 11.183 0.255 -6.644 704 HB2 PRO 96 1HB PRO 96 10.427 -2.352 -6.697 705 HB3 PRO 96 2HB PRO 96 9.734 -1.129 -7.769 706 HG2 PRO 96 1HG PRO 96 11.881 -3.140 -8.326 707 HG3 PRO 96 2HG PRO 96 10.511 -2.655 -9.342 708 HD2 PRO 96 1HD PRO 96 13.021 -1.715 -9.733 709 HD3 PRO 96 2HD PRO 96 11.574 -0.747 -10.081 710 H VAL 97 H VAL 97 11.413 -0.295 -4.507 711 HA VAL 97 HA VAL 97 13.712 -2.016 -3.838 712 HB VAL 97 HB VAL 97 13.918 -0.668 -1.747 713 HG11 VAL 97 1HG1 VAL 97 14.165 1.131 -4.135 714 HG12 VAL 97 2HG1 VAL 97 15.223 1.005 -2.728 715 HG13 VAL 97 3HG1 VAL 97 15.200 -0.282 -3.934 716 HG21 VAL 97 1HG2 VAL 97 11.758 0.919 -3.093 717 HG22 VAL 97 2HG2 VAL 97 11.823 0.320 -1.436 718 HG23 VAL 97 3HG2 VAL 97 12.855 1.662 -1.929 719 H ASP 98 H ASP 98 13.511 -3.467 -2.155 720 HA ASP 98 HA ASP 98 10.771 -4.151 -1.440 721 HB2 ASP 98 1HB ASP 98 11.923 -6.060 -2.130 722 HB3 ASP 98 2HB ASP 98 13.403 -5.585 -1.301 723 H TYR 99 H TYR 99 9.950 -3.192 0.297 724 HA TYR 99 HA TYR 99 11.439 -1.951 2.326 725 HB2 TYR 99 1HB TYR 99 9.042 -1.473 1.738 726 HB3 TYR 99 2HB TYR 99 8.601 -2.965 2.561 727 HD1 TYR 99 1HD TYR 99 10.560 0.153 3.219 728 HD2 TYR 99 2HD TYR 99 7.920 -2.808 4.758 729 HE1 TYR 99 1HE TYR 99 10.447 1.371 5.353 730 HE2 TYR 99 2HE TYR 99 7.799 -1.598 6.895 731 HH TYR 99 HH TYR 99 8.858 0.020 8.157 732 H ASP 100 H ASP 100 11.985 -2.560 4.396 733 HA ASP 100 HA ASP 100 11.524 -5.367 5.136 734 HB2 ASP 100 1HB ASP 100 14.160 -3.914 5.445 735 HB3 ASP 100 2HB ASP 100 13.823 -5.578 5.914 736 H GLY 101 H GLY 101 12.150 -2.064 6.116 737 HA2 GLY 101 1HA GLY 101 12.416 -2.221 8.829 738 HA3 GLY 101 2HA GLY 101 11.505 -0.950 8.028 739 H GLY 102 H GLY 102 10.688 -1.557 10.481 740 HA2 GLY 102 1HA GLY 102 8.988 -3.633 11.000 741 HA3 GLY 102 2HA GLY 102 8.722 -2.002 11.598 742 H ARG 103 H ARG 103 6.889 -4.186 10.601 743 HA ARG 103 HA ARG 103 5.682 -2.950 8.260 744 HB2 ARG 103 1HB ARG 103 5.028 -5.452 9.819 745 HB3 ARG 103 2HB ARG 103 4.061 -4.877 8.467 746 HG2 ARG 103 1HG ARG 103 5.979 -5.094 6.984 747 HG3 ARG 103 2HG ARG 103 6.971 -5.638 8.338 748 HD2 ARG 103 1HD ARG 103 5.617 -7.608 8.605 749 HD3 ARG 103 2HD ARG 103 4.475 -7.036 7.391 750 HE ARG 103 HE ARG 103 6.734 -7.140 5.977 751 HH11 ARG 103 2HH1 ARG 103 5.301 -9.431 8.173 752 HH12 ARG 103 1HH1 ARG 103 5.957 -10.815 7.362 753 HH21 ARG 103 2HH2 ARG 103 7.603 -8.954 4.902 754 HH22 ARG 103 1HH2 ARG 103 7.267 -10.542 5.503 755 H THR 104 H THR 104 5.700 -1.451 10.719 756 HA THR 104 HA THR 104 2.817 -1.372 11.332 757 HB THR 104 HB THR 104 4.784 -0.015 13.115 758 HG1 THR 104 1HG THR 104 4.238 -2.807 13.276 759 HG21 THR 104 1HG2 THR 104 2.439 -1.694 13.928 760 HG22 THR 104 2HG2 THR 104 2.193 -0.066 13.293 761 HG23 THR 104 3HG2 THR 104 3.158 -0.309 14.749 762 H ARG 105 H ARG 105 1.784 0.650 11.456 763 HA ARG 105 HA ARG 105 2.280 2.480 9.497 764 HB2 ARG 105 1HB ARG 105 0.624 3.792 10.428 765 HB3 ARG 105 2HB ARG 105 0.284 2.236 11.173 766 HG2 ARG 105 1HG ARG 105 1.615 2.989 13.153 767 HG3 ARG 105 2HG ARG 105 1.690 4.588 12.410 768 HD2 ARG 105 1HD ARG 105 -0.723 4.756 12.445 769 HD3 ARG 105 2HD ARG 105 -0.855 3.113 13.072 770 HE ARG 105 HE ARG 105 -0.262 5.490 14.562 771 HH11 ARG 105 2HH1 ARG 105 0.140 2.034 14.442 772 HH12 ARG 105 1HH1 ARG 105 0.354 1.868 16.153 773 HH21 ARG 105 2HH2 ARG 105 0.019 5.285 16.816 774 HH22 ARG 105 1HH2 ARG 105 0.284 3.718 17.503 775 H SER 106 H SER 106 3.601 2.443 12.760 776 HA SER 106 HA SER 106 4.742 4.987 12.818 777 HB2 SER 106 1HB SER 106 5.674 2.416 14.113 778 HB3 SER 106 2HB SER 106 6.326 4.009 14.495 779 HG SER 106 HG SER 106 3.813 2.921 15.070 780 H ASP 107 H ASP 107 6.264 1.899 11.892 781 HA ASP 107 HA ASP 107 8.666 3.144 10.986 782 HB2 ASP 107 1HB ASP 107 7.616 0.374 10.371 783 HB3 ASP 107 2HB ASP 107 9.275 0.930 10.164 784 H ILE 108 H ILE 108 5.973 1.565 9.264 785 HA ILE 108 HA ILE 108 6.695 1.871 6.674 786 HB ILE 108 HB ILE 108 3.955 2.408 7.825 787 HG12 ILE 108 1HG1 ILE 108 4.815 -0.088 6.400 788 HG13 ILE 108 2HG1 ILE 108 5.203 0.126 8.104 789 HG21 ILE 108 1HG2 ILE 108 4.591 1.656 4.984 790 HG22 ILE 108 2HG2 ILE 108 3.046 2.174 5.656 791 HG23 ILE 108 3HG2 ILE 108 4.373 3.326 5.508 792 HD11 ILE 108 1HD1 ILE 108 2.875 0.300 8.661 793 HD12 ILE 108 2HD1 ILE 108 2.427 0.258 6.955 794 HD13 ILE 108 3HD1 ILE 108 3.141 -1.164 7.715 795 H VAL 109 H VAL 109 5.181 4.392 8.673 796 HA VAL 109 HA VAL 109 5.120 6.382 6.679 797 HB VAL 109 HB VAL 109 5.231 6.687 9.683 798 HG11 VAL 109 1HG1 VAL 109 4.107 8.757 7.856 799 HG12 VAL 109 2HG1 VAL 109 4.781 8.930 9.477 800 HG13 VAL 109 3HG1 VAL 109 5.852 8.681 8.098 801 HG21 VAL 109 1HG2 VAL 109 3.245 5.589 8.114 802 HG22 VAL 109 2HG2 VAL 109 3.042 6.244 9.739 803 HG23 VAL 109 3HG2 VAL 109 2.720 7.259 8.333 804 H SER 110 H SER 110 7.454 5.766 9.294 805 HA SER 110 HA SER 110 9.186 7.832 9.032 806 HB2 SER 110 1HB SER 110 9.351 5.758 10.548 807 HB3 SER 110 2HB SER 110 10.237 5.014 9.217 808 HG SER 110 HG SER 110 11.889 5.988 10.075 809 H ARG 111 H ARG 111 9.187 4.902 7.020 810 HA ARG 111 HA ARG 111 11.374 5.612 5.405 811 HB2 ARG 111 1HB ARG 111 10.122 3.348 5.640 812 HB3 ARG 111 2HB ARG 111 9.070 3.982 4.381 813 HG2 ARG 111 1HG ARG 111 10.787 2.588 3.415 814 HG3 ARG 111 2HG ARG 111 11.016 4.265 2.915 815 HD2 ARG 111 1HD ARG 111 13.130 3.151 3.534 816 HD3 ARG 111 2HD ARG 111 12.774 4.554 4.541 817 HE ARG 111 HE ARG 111 11.764 2.560 6.010 818 HH11 ARG 111 2HH1 ARG 111 14.827 2.916 4.395 819 HH12 ARG 111 1HH1 ARG 111 15.690 1.939 5.536 820 HH21 ARG 111 2HH2 ARG 111 12.889 1.272 7.519 821 HH22 ARG 111 1HH2 ARG 111 14.586 1.004 7.313 822 H ALA 112 H ALA 112 7.918 5.676 4.509 823 HA ALA 112 HA ALA 112 7.941 6.906 2.132 824 HB1 ALA 112 1HB ALA 112 5.908 8.304 3.246 825 HB2 ALA 112 2HB ALA 112 5.789 6.626 2.716 826 HB3 ALA 112 3HB ALA 112 6.092 6.994 4.413 827 H LEU 113 H LEU 113 8.532 8.508 5.218 828 HA LEU 113 HA LEU 113 8.572 11.155 4.245 829 HB2 LEU 113 1HB LEU 113 9.692 9.799 6.665 830 HB3 LEU 113 2HB LEU 113 10.083 11.484 6.329 831 HG LEU 113 HG LEU 113 7.258 10.474 6.599 832 HD11 LEU 113 1HD1 LEU 113 8.184 10.028 8.707 833 HD12 LEU 113 2HD1 LEU 113 7.415 11.606 8.871 834 HD13 LEU 113 3HD1 LEU 113 9.165 11.494 8.683 835 HD21 LEU 113 1HD2 LEU 113 7.106 13.020 7.250 836 HD22 LEU 113 2HD2 LEU 113 7.077 12.506 5.563 837 HD23 LEU 113 3HD2 LEU 113 8.569 13.126 6.271 838 H ASP 114 H ASP 114 11.285 8.985 5.059 839 HA ASP 114 HA ASP 114 13.394 10.535 4.266 840 HB2 ASP 114 1HB ASP 114 13.666 8.335 5.309 841 HB3 ASP 114 2HB ASP 114 13.085 7.555 3.840 842 H LEU 115 H LEU 115 11.298 8.562 2.214 843 HA LEU 115 HA LEU 115 12.756 9.142 -0.186 844 HB2 LEU 115 1HB LEU 115 9.928 8.139 0.004 845 HB3 LEU 115 2HB LEU 115 11.064 7.931 -1.328 846 HG LEU 115 HG LEU 115 11.611 6.724 1.362 847 HD11 LEU 115 1HD1 LEU 115 9.302 6.106 0.434 848 HD12 LEU 115 2HD1 LEU 115 10.398 4.796 0.871 849 HD13 LEU 115 3HD1 LEU 115 10.190 5.242 -0.822 850 HD21 LEU 115 1HD2 LEU 115 12.766 5.056 -0.148 851 HD22 LEU 115 2HD2 LEU 115 13.477 6.669 -0.085 852 HD23 LEU 115 3HD2 LEU 115 12.488 6.194 -1.466 853 H PHE 116 H PHE 116 9.859 10.394 1.383 854 HA PHE 116 HA PHE 116 8.793 11.959 -0.615 855 HB2 PHE 116 1HB PHE 116 7.554 11.851 1.375 856 HB3 PHE 116 2HB PHE 116 8.931 12.325 2.365 857 HD1 PHE 116 2HD PHE 116 6.508 13.579 -0.139 858 HD2 PHE 116 1HD PHE 116 9.294 14.564 2.923 859 HE1 PHE 116 2HE PHE 116 5.734 15.914 -0.191 860 HE2 PHE 116 1HE PHE 116 8.525 16.901 2.877 861 HZ PHE 116 HZ PHE 116 6.743 17.579 1.317 862 H SER 117 H SER 117 11.351 12.849 1.686 863 HA SER 117 HA SER 117 11.746 15.466 0.747 864 HB2 SER 117 1HB SER 117 13.799 15.449 2.000 865 HB3 SER 117 2HB SER 117 12.612 14.519 2.914 866 HG SER 117 HG SER 117 13.929 12.910 1.213 867 H ASP 118 H ASP 118 12.940 12.378 -0.364 868 HA ASP 118 HA ASP 118 15.055 13.280 -1.981 869 HB2 ASP 118 1HB ASP 118 14.374 10.864 -1.282 870 HB3 ASP 118 2HB ASP 118 13.371 10.909 -2.729 871 H ASN 119 H ASN 119 11.734 12.380 -2.934 872 HA ASN 119 HA ASN 119 12.086 13.645 -5.515 873 HB2 ASN 119 1HB ASN 119 9.515 12.508 -4.425 874 HB3 ASN 119 2HB ASN 119 9.995 12.698 -6.109 875 HD21 ASN 119 1HD2 ASN 119 10.153 10.736 -3.298 876 HD22 ASN 119 2HD2 ASN 119 11.003 9.408 -4.004 877 H ALA 120 H ALA 120 9.557 13.945 -3.015 878 HA ALA 120 HA ALA 120 8.670 16.471 -3.943 879 HB1 ALA 120 1HB ALA 120 7.987 14.625 -1.805 880 HB2 ALA 120 2HB ALA 120 7.828 16.315 -1.324 881 HB3 ALA 120 3HB ALA 120 6.956 15.713 -2.735 882 HA PRO 121 HA PRO 121 11.404 19.322 -2.030 883 HB2 PRO 121 1HB PRO 121 9.717 21.348 -1.380 884 HB3 PRO 121 2HB PRO 121 10.194 20.992 -3.044 885 HG2 PRO 121 1HG PRO 121 7.688 20.239 -1.591 886 HG3 PRO 121 2HG PRO 121 7.882 20.845 -3.246 887 HD2 PRO 121 1HD PRO 121 7.512 18.221 -2.690 888 HD3 PRO 121 2HD PRO 121 8.484 18.777 -4.067 889 HA PRO 122 HA PRO 122 10.990 18.175 2.291 890 HB2 PRO 122 1HB PRO 122 13.486 18.977 2.997 891 HB3 PRO 122 2HB PRO 122 13.167 17.450 2.166 892 HG2 PRO 122 1HG PRO 122 14.109 20.059 1.039 893 HG3 PRO 122 2HG PRO 122 14.669 18.416 0.676 894 HD2 PRO 122 1HD PRO 122 12.958 19.761 -0.935 895 HD3 PRO 122 2HD PRO 122 12.909 17.996 -0.751 896 HA PRO 123 HA PRO 123 10.089 21.926 4.401 897 HB2 PRO 123 1HB PRO 123 11.033 21.463 6.903 898 HB3 PRO 123 2HB PRO 123 9.592 20.668 6.258 899 HG2 PRO 123 1HG PRO 123 12.393 19.632 6.467 900 HG3 PRO 123 2HG PRO 123 10.864 18.805 6.820 901 HD2 PRO 123 1HD PRO 123 12.224 18.430 4.509 902 HD3 PRO 123 2HD PRO 123 10.453 18.349 4.599 903 H GLU 124 H GLU 124 11.115 23.608 5.962 904 HA GLU 124 HA GLU 124 13.377 24.702 4.680 905 HB2 GLU 124 1HB GLU 124 11.989 25.376 7.271 906 HB3 GLU 124 2HB GLU 124 13.366 26.290 6.671 907 HG2 GLU 124 1HG GLU 124 12.010 26.604 4.536 908 HG3 GLU 124 2HG GLU 124 10.631 26.031 5.474 909 H LEU 125 H LEU 125 15.250 23.598 4.743 910 HA LEU 125 HA LEU 125 16.318 22.897 7.398 911 HB2 LEU 125 1HB LEU 125 16.573 21.471 4.767 912 HB3 LEU 125 2HB LEU 125 17.688 21.182 6.101 913 HG LEU 125 HG LEU 125 14.755 20.876 6.566 914 HD11 LEU 125 1HD1 LEU 125 16.410 18.620 5.488 915 HD12 LEU 125 2HD1 LEU 125 15.465 19.664 4.427 916 HD13 LEU 125 3HD1 LEU 125 14.660 18.719 5.680 917 HD21 LEU 125 1HD2 LEU 125 15.487 20.102 8.511 918 HD22 LEU 125 2HD2 LEU 125 17.146 20.426 8.009 919 HD23 LEU 125 3HD2 LEU 125 16.418 18.852 7.685 920 H LEU 126 H LEU 126 18.182 23.826 7.954 921 HA LEU 126 HA LEU 126 19.688 25.250 5.864 922 HB2 LEU 126 1HB LEU 126 18.689 26.663 7.614 923 HB3 LEU 126 2HB LEU 126 19.599 25.772 8.833 924 HG LEU 126 HG LEU 126 21.675 26.578 7.477 925 HD11 LEU 126 1HD1 LEU 126 19.499 27.962 6.166 926 HD12 LEU 126 2HD1 LEU 126 21.194 27.821 5.699 927 HD13 LEU 126 3HD1 LEU 126 20.692 29.084 6.823 928 HD21 LEU 126 1HD2 LEU 126 20.276 28.752 8.974 929 HD22 LEU 126 2HD2 LEU 126 21.969 28.261 9.025 930 HD23 LEU 126 3HD2 LEU 126 20.739 27.268 9.808 931 H GLU 127 H GLU 127 20.880 23.346 5.322 932 HA GLU 127 HA GLU 127 22.505 21.737 5.569 933 HB2 GLU 127 1HB GLU 127 23.621 24.079 5.364 934 HB3 GLU 127 2HB GLU 127 24.040 23.844 7.055 935 HG2 GLU 127 1HG GLU 127 25.851 23.189 5.551 936 HG3 GLU 127 2HG GLU 127 25.263 21.834 6.513 937 H SER 128 H SER 128 20.673 21.243 7.482 938 HA SER 128 HA SER 128 21.300 21.323 10.138 939 HB2 SER 128 1HB SER 128 19.214 20.352 9.206 940 HB3 SER 128 2HB SER 128 20.125 18.928 8.705 941 HG SER 128 HG SER 128 18.951 18.984 10.864 942 H GLY 129 H GLY 129 22.122 18.568 8.015 943 HA2 GLY 129 1HA GLY 129 24.405 17.729 7.966 944 HA3 GLY 129 2HA GLY 129 24.539 18.170 9.662 945 HA PRO 130 HA PRO 130 23.667 13.970 10.629 946 HB2 PRO 130 1HB PRO 130 22.952 14.285 13.229 947 HB3 PRO 130 2HB PRO 130 24.626 14.401 12.672 948 HG2 PRO 130 1HG PRO 130 22.673 16.589 13.273 949 HG3 PRO 130 2HG PRO 130 24.393 16.478 13.692 950 HD2 PRO 130 1HD PRO 130 23.494 17.947 11.603 951 HD3 PRO 130 2HD PRO 130 25.076 17.141 11.593 952 H SER 131 H SER 131 21.375 16.294 10.189 953 HA SER 131 HA SER 131 19.047 15.736 11.352 954 HB2 SER 131 1HB SER 131 19.238 17.297 9.471 955 HB3 SER 131 2HB SER 131 19.411 15.946 8.352 956 HG SER 131 HG SER 131 17.159 16.213 10.038 957 H SER 132 H SER 132 20.165 13.850 8.535 958 HA SER 132 HA SER 132 18.488 11.622 9.488 959 HB2 SER 132 1HB SER 132 18.173 10.928 7.231 960 HB3 SER 132 2HB SER 132 17.909 12.671 7.244 961 HG SER 132 HG SER 132 20.445 12.406 6.801 962 H GLY 133 H GLY 133 19.522 9.873 10.181 963 HA2 GLY 133 1HA GLY 133 22.396 9.654 9.731 964 HA3 GLY 133 2HA GLY 133 21.445 8.715 10.872 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -15.520 0.085 -9.393 2 HA2 GLY 1 1HA GLY 1 -15.164 -0.560 -6.978 3 HA3 GLY 1 2HA GLY 1 -14.301 0.894 -7.459 4 H SER 2 H SER 2 -14.836 2.830 -6.564 5 HA SER 2 HA SER 2 -15.498 4.082 -4.740 6 HB2 SER 2 1HB SER 2 -17.969 3.398 -6.308 7 HB3 SER 2 2HB SER 2 -18.076 4.427 -4.880 8 HG SER 2 HG SER 2 -16.513 5.798 -5.886 9 H SER 3 H SER 3 -14.951 1.534 -3.844 10 HA SER 3 HA SER 3 -16.930 1.266 -1.695 11 HB2 SER 3 1HB SER 3 -15.773 -1.041 -3.279 12 HB3 SER 3 2HB SER 3 -16.766 -1.204 -1.831 13 HG SER 3 HG SER 3 -17.777 0.342 -3.917 14 H GLY 4 H GLY 4 -16.075 0.024 0.176 15 HA2 GLY 4 1HA GLY 4 -14.078 -0.917 1.248 16 HA3 GLY 4 2HA GLY 4 -13.140 0.292 0.384 17 H SER 5 H SER 5 -13.451 2.547 0.979 18 HA SER 5 HA SER 5 -13.485 4.224 2.517 19 HB2 SER 5 1HB SER 5 -15.693 2.672 3.879 20 HB3 SER 5 2HB SER 5 -15.402 4.410 3.946 21 HG SER 5 HG SER 5 -15.786 3.263 1.435 22 H SER 6 H SER 6 -11.556 2.313 2.932 23 HA SER 6 HA SER 6 -11.480 2.082 5.870 24 HB2 SER 6 1HB SER 6 -10.277 0.284 3.759 25 HB3 SER 6 2HB SER 6 -9.860 0.185 5.469 26 HG SER 6 HG SER 6 -12.543 0.065 4.603 27 H GLY 7 H GLY 7 -10.503 4.079 6.217 28 HA2 GLY 7 1HA GLY 7 -8.736 5.520 6.484 29 HA3 GLY 7 2HA GLY 7 -7.698 4.135 6.181 30 H ASP 8 H ASP 8 -6.255 5.569 5.083 31 HA ASP 8 HA ASP 8 -7.196 6.733 2.582 32 HB2 ASP 8 1HB ASP 8 -5.719 8.070 4.026 33 HB3 ASP 8 2HB ASP 8 -4.468 6.838 3.886 34 H VAL 9 H VAL 9 -6.758 3.758 3.201 35 HA VAL 9 HA VAL 9 -4.610 2.911 1.527 36 HB VAL 9 HB VAL 9 -7.010 1.267 2.325 37 HG11 VAL 9 1HG1 VAL 9 -4.168 0.493 1.676 38 HG12 VAL 9 2HG1 VAL 9 -5.470 -0.611 2.124 39 HG13 VAL 9 3HG1 VAL 9 -5.558 0.292 0.611 40 HG21 VAL 9 1HG2 VAL 9 -4.495 1.859 3.876 41 HG22 VAL 9 2HG2 VAL 9 -6.153 2.234 4.343 42 HG23 VAL 9 3HG2 VAL 9 -5.617 0.556 4.268 43 H ILE 10 H ILE 10 -4.563 2.498 -0.601 44 HA ILE 10 HA ILE 10 -7.059 2.888 -2.110 45 HB ILE 10 HB ILE 10 -4.238 3.118 -3.158 46 HG12 ILE 10 1HG1 ILE 10 -6.059 5.452 -2.666 47 HG13 ILE 10 2HG1 ILE 10 -5.069 4.816 -1.357 48 HG21 ILE 10 1HG2 ILE 10 -5.116 3.467 -5.182 49 HG22 ILE 10 2HG2 ILE 10 -6.594 2.767 -4.523 50 HG23 ILE 10 3HG2 ILE 10 -6.382 4.518 -4.547 51 HD11 ILE 10 1HD1 ILE 10 -3.115 5.510 -2.318 52 HD12 ILE 10 2HD1 ILE 10 -3.775 5.468 -3.953 53 HD13 ILE 10 3HD1 ILE 10 -4.219 6.775 -2.856 54 H GLU 11 H GLU 11 -7.738 1.395 -3.585 55 HA GLU 11 HA GLU 11 -6.346 -1.186 -3.527 56 HB2 GLU 11 1HB GLU 11 -8.634 -1.343 -2.826 57 HB3 GLU 11 2HB GLU 11 -9.185 -0.438 -4.229 58 HG2 GLU 11 1HG GLU 11 -8.310 -2.321 -5.648 59 HG3 GLU 11 2HG GLU 11 -8.080 -3.230 -4.155 60 H LEU 12 H LEU 12 -5.087 -1.650 -5.193 61 HA LEU 12 HA LEU 12 -5.767 -0.532 -7.833 62 HB2 LEU 12 1HB LEU 12 -3.079 -1.342 -6.735 63 HB3 LEU 12 2HB LEU 12 -3.375 -0.767 -8.375 64 HG LEU 12 HG LEU 12 -3.810 0.857 -5.869 65 HD11 LEU 12 1HD1 LEU 12 -1.734 1.731 -6.068 66 HD12 LEU 12 2HD1 LEU 12 -1.696 1.537 -7.820 67 HD13 LEU 12 3HD1 LEU 12 -1.396 0.150 -6.773 68 HD21 LEU 12 1HD2 LEU 12 -4.198 1.369 -8.786 69 HD22 LEU 12 2HD2 LEU 12 -3.733 2.694 -7.719 70 HD23 LEU 12 3HD2 LEU 12 -5.227 1.804 -7.421 71 H THR 13 H THR 13 -5.399 -1.854 -9.688 72 HA THR 13 HA THR 13 -5.497 -4.739 -9.087 73 HB THR 13 HB THR 13 -6.993 -5.099 -10.840 74 HG1 THR 13 1HG THR 13 -6.192 -4.026 -12.558 75 HG21 THR 13 1HG2 THR 13 -8.744 -3.247 -10.621 76 HG22 THR 13 2HG2 THR 13 -7.615 -2.476 -9.507 77 HG23 THR 13 3HG2 THR 13 -8.260 -4.076 -9.143 78 H ASP 14 H ASP 14 -5.085 -5.902 -11.423 79 HA ASP 14 HA ASP 14 -2.327 -5.757 -11.831 80 HB2 ASP 14 1HB ASP 14 -2.967 -7.011 -14.040 81 HB3 ASP 14 2HB ASP 14 -3.238 -7.786 -12.481 82 H ASP 15 H ASP 15 -4.951 -4.606 -13.952 83 HA ASP 15 HA ASP 15 -3.118 -3.263 -15.708 84 HB2 ASP 15 1HB ASP 15 -5.307 -2.298 -16.649 85 HB3 ASP 15 2HB ASP 15 -5.068 -4.039 -16.770 86 H SER 16 H SER 16 -5.503 -2.227 -13.286 87 HA SER 16 HA SER 16 -5.195 0.524 -13.563 88 HB2 SER 16 1HB SER 16 -6.101 -1.272 -11.357 89 HB3 SER 16 2HB SER 16 -5.778 0.419 -10.971 90 HG SER 16 HG SER 16 -7.989 -0.365 -11.818 91 H PHE 17 H PHE 17 -3.427 -1.745 -11.485 92 HA PHE 17 HA PHE 17 -1.877 -0.089 -9.990 93 HB2 PHE 17 1HB PHE 17 -1.657 -2.444 -9.696 94 HB3 PHE 17 2HB PHE 17 -1.127 -2.671 -11.359 95 HD1 PHE 17 2HD PHE 17 1.091 -1.468 -12.011 96 HD2 PHE 17 1HD PHE 17 -0.090 -2.327 -8.013 97 HE1 PHE 17 2HE PHE 17 3.436 -1.301 -11.287 98 HE2 PHE 17 1HE PHE 17 2.254 -2.160 -7.282 99 HZ PHE 17 HZ PHE 17 4.020 -1.647 -8.920 100 H ASP 18 H ASP 18 -1.746 -0.514 -13.413 101 HA ASP 18 HA ASP 18 0.852 0.750 -13.681 102 HB2 ASP 18 1HB ASP 18 -1.104 0.070 -15.881 103 HB3 ASP 18 2HB ASP 18 0.626 0.363 -16.036 104 H LYS 19 H LYS 19 -2.521 1.494 -14.521 105 HA LYS 19 HA LYS 19 -1.917 4.131 -15.441 106 HB2 LYS 19 1HB LYS 19 -4.146 4.301 -15.967 107 HB3 LYS 19 2HB LYS 19 -3.971 2.552 -15.937 108 HG2 LYS 19 1HG LYS 19 -4.860 2.496 -13.665 109 HG3 LYS 19 2HG LYS 19 -5.027 4.254 -13.687 110 HD2 LYS 19 1HD LYS 19 -7.148 3.055 -14.159 111 HD3 LYS 19 2HD LYS 19 -6.644 4.128 -15.468 112 HE2 LYS 19 1HE LYS 19 -5.932 2.327 -16.806 113 HE3 LYS 19 2HE LYS 19 -5.963 1.201 -15.450 114 HZ1 LYS 19 1HZ LYS 19 -8.502 2.447 -16.024 115 HZ2 LYS 19 2HZ LYS 19 -8.137 0.825 -15.715 116 HZ3 LYS 19 3HZ LYS 19 -7.923 1.458 -17.269 117 H ASN 20 H ASN 20 -1.959 2.820 -12.400 118 HA ASN 20 HA ASN 20 -2.822 5.326 -11.130 119 HB2 ASN 20 1HB ASN 20 -2.652 2.489 -10.148 120 HB3 ASN 20 2HB ASN 20 -2.702 3.834 -9.012 121 HD21 ASN 20 1HD2 ASN 20 -4.418 2.323 -11.688 122 HD22 ASN 20 2HD2 ASN 20 -5.992 2.855 -11.216 123 H VAL 21 H VAL 21 -0.181 3.001 -11.317 124 HA VAL 21 HA VAL 21 1.489 4.698 -9.616 125 HB VAL 21 HB VAL 21 2.010 1.957 -10.775 126 HG11 VAL 21 1HG1 VAL 21 3.694 3.658 -8.941 127 HG12 VAL 21 2HG1 VAL 21 3.986 1.951 -9.277 128 HG13 VAL 21 3HG1 VAL 21 4.099 3.138 -10.576 129 HG21 VAL 21 1HG2 VAL 21 1.727 1.145 -8.530 130 HG22 VAL 21 2HG2 VAL 21 1.531 2.785 -7.914 131 HG23 VAL 21 3HG2 VAL 21 0.304 2.088 -8.971 132 H LEU 22 H LEU 22 2.007 2.903 -12.658 133 HA LEU 22 HA LEU 22 4.226 4.316 -13.523 134 HB2 LEU 22 1HB LEU 22 2.088 3.163 -15.304 135 HB3 LEU 22 2HB LEU 22 3.777 3.450 -15.720 136 HG LEU 22 HG LEU 22 2.772 1.412 -13.734 137 HD11 LEU 22 1HD1 LEU 22 2.714 -0.095 -15.374 138 HD12 LEU 22 2HD1 LEU 22 4.226 0.481 -16.075 139 HD13 LEU 22 3HD1 LEU 22 2.707 1.279 -16.480 140 HD21 LEU 22 1HD2 LEU 22 5.423 2.511 -14.325 141 HD22 LEU 22 2HD2 LEU 22 5.340 0.749 -14.358 142 HD23 LEU 22 3HD2 LEU 22 4.846 1.629 -12.910 143 H ASP 23 H ASP 23 0.800 5.016 -14.004 144 HA ASP 23 HA ASP 23 1.287 7.280 -15.699 145 HB2 ASP 23 1HB ASP 23 -1.095 5.980 -14.483 146 HB3 ASP 23 2HB ASP 23 -1.247 7.677 -14.932 147 H SER 24 H SER 24 2.104 6.910 -12.645 148 HA SER 24 HA SER 24 1.573 9.725 -11.984 149 HB2 SER 24 1HB SER 24 0.179 7.885 -10.704 150 HB3 SER 24 2HB SER 24 1.671 7.700 -9.782 151 HG SER 24 HG SER 24 0.341 9.243 -8.808 152 H GLU 25 H GLU 25 3.348 10.834 -11.488 153 HA GLU 25 HA GLU 25 5.883 9.449 -11.330 154 HB2 GLU 25 1HB GLU 25 6.876 11.682 -11.392 155 HB3 GLU 25 2HB GLU 25 5.688 11.488 -12.674 156 HG2 GLU 25 1HG GLU 25 4.093 12.558 -10.854 157 HG3 GLU 25 2HG GLU 25 5.621 13.212 -10.266 158 H ASP 26 H ASP 26 3.736 9.524 -9.122 159 HA ASP 26 HA ASP 26 5.394 10.583 -6.941 160 HB2 ASP 26 1HB ASP 26 2.483 9.755 -6.961 161 HB3 ASP 26 2HB ASP 26 3.347 10.382 -5.560 162 H VAL 27 H VAL 27 5.606 9.308 -4.980 163 HA VAL 27 HA VAL 27 6.375 6.625 -5.543 164 HB VAL 27 HB VAL 27 6.083 7.959 -2.847 165 HG11 VAL 27 1HG1 VAL 27 7.735 5.575 -3.675 166 HG12 VAL 27 2HG1 VAL 27 7.629 6.270 -2.057 167 HG13 VAL 27 3HG1 VAL 27 6.217 5.498 -2.780 168 HG21 VAL 27 1HG2 VAL 27 7.599 9.318 -3.964 169 HG22 VAL 27 2HG2 VAL 27 8.644 8.148 -3.158 170 HG23 VAL 27 3HG2 VAL 27 8.286 7.974 -4.876 171 H TRP 28 H TRP 28 5.158 4.863 -5.538 172 HA TRP 28 HA TRP 28 2.607 4.923 -4.064 173 HB2 TRP 28 1HB TRP 28 3.373 3.758 -6.709 174 HB3 TRP 28 2HB TRP 28 2.108 2.970 -5.771 175 HD1 TRP 28 HD TRP 28 2.870 6.291 -7.554 176 HE1 TRP 28 1HE TRP 28 0.640 7.486 -8.028 177 HE3 TRP 28 3HE TRP 28 -0.286 3.151 -5.040 178 HZ2 TRP 28 2HZ TRP 28 -2.094 7.144 -7.417 179 HZ3 TRP 28 3HZ TRP 28 -2.694 3.656 -5.034 180 HH2 TRP 28 HH TRP 28 -3.577 5.612 -6.198 181 H MET 29 H MET 29 2.620 3.718 -2.293 182 HA MET 29 HA MET 29 4.539 1.544 -2.023 183 HB2 MET 29 1HB MET 29 2.928 3.202 -0.171 184 HB3 MET 29 2HB MET 29 3.238 1.547 0.337 185 HG2 MET 29 1HG MET 29 5.497 3.237 -0.619 186 HG3 MET 29 2HG MET 29 4.862 3.464 1.009 187 HE1 MET 29 1HE MET 29 6.117 1.328 3.144 188 HE2 MET 29 2HE MET 29 7.585 1.953 2.392 189 HE3 MET 29 3HE MET 29 6.150 2.972 2.507 190 H VAL 30 H VAL 30 3.949 -0.379 -2.780 191 HA VAL 30 HA VAL 30 1.126 -1.174 -2.629 192 HB VAL 30 HB VAL 30 3.356 -2.485 -4.188 193 HG11 VAL 30 1HG1 VAL 30 1.496 -3.976 -3.618 194 HG12 VAL 30 2HG1 VAL 30 0.364 -2.835 -4.347 195 HG13 VAL 30 3HG1 VAL 30 1.564 -3.651 -5.350 196 HG21 VAL 30 1HG2 VAL 30 3.087 -0.990 -5.812 197 HG22 VAL 30 2HG2 VAL 30 1.336 -1.197 -5.785 198 HG23 VAL 30 3HG2 VAL 30 2.104 -0.039 -4.699 199 H GLU 31 H GLU 31 0.595 -2.333 -0.904 200 HA GLU 31 HA GLU 31 2.594 -4.157 0.249 201 HB2 GLU 31 1HB GLU 31 1.829 -2.488 1.826 202 HB3 GLU 31 2HB GLU 31 0.150 -2.881 1.485 203 HG2 GLU 31 1HG GLU 31 1.946 -5.026 2.493 204 HG3 GLU 31 2HG GLU 31 1.356 -3.804 3.618 205 H PHE 32 H PHE 32 2.290 -6.006 -0.917 206 HA PHE 32 HA PHE 32 -0.230 -7.037 -1.673 207 HB2 PHE 32 1HB PHE 32 2.403 -8.491 -1.342 208 HB3 PHE 32 2HB PHE 32 0.997 -9.101 -2.208 209 HD1 PHE 32 2HD PHE 32 3.640 -6.533 -2.224 210 HD2 PHE 32 1HD PHE 32 0.535 -8.434 -4.428 211 HE1 PHE 32 2HE PHE 32 4.448 -5.457 -4.283 212 HE2 PHE 32 1HE PHE 32 1.339 -7.361 -6.492 213 HZ PHE 32 HZ PHE 32 3.297 -5.869 -6.421 214 H TYR 33 H TYR 33 -1.746 -7.755 -0.342 215 HA TYR 33 HA TYR 33 -0.917 -9.268 2.047 216 HB2 TYR 33 1HB TYR 33 -2.562 -8.256 3.348 217 HB3 TYR 33 2HB TYR 33 -1.990 -6.920 2.355 218 HD1 TYR 33 1HD TYR 33 -4.704 -9.422 2.697 219 HD2 TYR 33 2HD TYR 33 -3.460 -5.762 0.920 220 HE1 TYR 33 1HE TYR 33 -7.004 -9.025 1.921 221 HE2 TYR 33 2HE TYR 33 -5.757 -5.354 0.140 222 HH TYR 33 HH TYR 33 -7.796 -6.274 -0.144 223 H ALA 34 H ALA 34 -2.676 -10.734 2.870 224 HA ALA 34 HA ALA 34 -4.188 -11.900 0.623 225 HB1 ALA 34 1HB ALA 34 -2.397 -13.189 2.612 226 HB2 ALA 34 2HB ALA 34 -3.824 -14.077 2.077 227 HB3 ALA 34 3HB ALA 34 -2.627 -13.540 0.899 228 HA PRO 35 HA PRO 35 -7.729 -11.340 3.200 229 HB2 PRO 35 1HB PRO 35 -9.427 -12.990 1.870 230 HB3 PRO 35 2HB PRO 35 -8.953 -11.402 1.256 231 HG2 PRO 35 1HG PRO 35 -7.900 -14.107 0.524 232 HG3 PRO 35 2HG PRO 35 -8.300 -12.739 -0.531 233 HD2 PRO 35 1HD PRO 35 -5.758 -13.320 0.201 234 HD3 PRO 35 2HD PRO 35 -6.310 -11.659 -0.095 235 H TRP 36 H TRP 36 -6.135 -14.349 2.712 236 HA TRP 36 HA TRP 36 -7.658 -15.557 4.925 237 HB2 TRP 36 1HB TRP 36 -6.482 -17.707 3.983 238 HB3 TRP 36 2HB TRP 36 -7.921 -17.067 3.193 239 HD1 TRP 36 HD TRP 36 -7.714 -16.804 0.660 240 HE1 TRP 36 1HE TRP 36 -5.778 -16.617 -1.026 241 HE3 TRP 36 3HE TRP 36 -3.791 -16.713 3.936 242 HZ2 TRP 36 2HZ TRP 36 -2.961 -16.454 -0.975 243 HZ3 TRP 36 3HZ TRP 36 -1.507 -16.541 3.036 244 HH2 TRP 36 HH TRP 36 -1.103 -16.415 0.631 245 H CYS 37 H CYS 37 -5.130 -13.747 4.714 246 HA CYS 37 HA CYS 37 -3.361 -15.444 6.343 247 HB2 CYS 37 1HB CYS 37 -2.469 -14.411 4.192 248 HB3 CYS 37 2HB CYS 37 -2.590 -12.854 5.003 249 HG CYS 37 HG CYS 37 -0.013 -14.610 4.923 250 H GLY 38 H GLY 38 -3.263 -15.038 8.449 251 HA2 GLY 38 1HA GLY 38 -4.755 -13.027 9.709 252 HA3 GLY 38 2HA GLY 38 -3.488 -13.978 10.471 253 H HIS 39 H HIS 39 -1.222 -13.235 9.273 254 HA HIS 39 HA HIS 39 -0.300 -11.045 10.498 255 HB2 HIS 39 1HB HIS 39 0.382 -12.085 7.757 256 HB3 HIS 39 2HB HIS 39 1.240 -10.715 8.457 257 HD1 HIS 39 1HD HIS 39 2.564 -11.226 10.723 258 HD2 HIS 39 2HD HIS 39 1.231 -14.544 8.608 259 HE1 HIS 39 1HE HIS 39 3.862 -13.174 11.641 260 HE2 HIS 39 2HE HIS 39 3.100 -15.157 10.287 261 H CYS 40 H CYS 40 -1.920 -10.982 7.338 262 HA CYS 40 HA CYS 40 -1.727 -8.206 6.929 263 HB2 CYS 40 1HB CYS 40 -2.284 -9.347 4.996 264 HB3 CYS 40 2HB CYS 40 -3.438 -10.390 5.818 265 HG CYS 40 HG CYS 40 -5.493 -9.097 5.017 266 H LYS 41 H LYS 41 -4.528 -10.126 8.026 267 HA LYS 41 HA LYS 41 -6.357 -8.205 8.539 268 HB2 LYS 41 1HB LYS 41 -5.697 -10.514 10.378 269 HB3 LYS 41 2HB LYS 41 -7.204 -9.607 10.383 270 HG2 LYS 41 1HG LYS 41 -6.331 -10.891 7.848 271 HG3 LYS 41 2HG LYS 41 -6.993 -11.905 9.132 272 HD2 LYS 41 1HD LYS 41 -9.073 -10.885 9.039 273 HD3 LYS 41 2HD LYS 41 -8.433 -9.420 8.290 274 HE2 LYS 41 1HE LYS 41 -8.260 -10.436 6.189 275 HE3 LYS 41 2HE LYS 41 -8.369 -12.060 6.865 276 HZ1 LYS 41 1HZ LYS 41 -10.702 -11.323 7.584 277 HZ2 LYS 41 2HZ LYS 41 -10.452 -11.711 5.957 278 HZ3 LYS 41 3HZ LYS 41 -10.522 -10.091 6.439 279 H ASN 42 H ASN 42 -3.518 -8.929 10.494 280 HA ASN 42 HA ASN 42 -4.224 -7.065 12.568 281 HB2 ASN 42 1HB ASN 42 -2.907 -8.882 13.299 282 HB3 ASN 42 2HB ASN 42 -1.765 -8.698 11.971 283 HD21 ASN 42 1HD2 ASN 42 0.115 -7.974 12.619 284 HD22 ASN 42 2HD2 ASN 42 0.391 -6.830 13.884 285 H LEU 43 H LEU 43 -2.312 -7.025 9.646 286 HA LEU 43 HA LEU 43 -1.029 -4.519 10.233 287 HB2 LEU 43 1HB LEU 43 0.092 -6.128 8.828 288 HB3 LEU 43 2HB LEU 43 -1.254 -6.122 7.691 289 HG LEU 43 HG LEU 43 -0.701 -3.661 7.305 290 HD11 LEU 43 1HD1 LEU 43 0.809 -3.677 9.400 291 HD12 LEU 43 2HD1 LEU 43 1.343 -2.796 7.970 292 HD13 LEU 43 3HD1 LEU 43 2.016 -4.386 8.328 293 HD21 LEU 43 1HD2 LEU 43 -0.047 -4.691 5.437 294 HD22 LEU 43 2HD2 LEU 43 0.589 -6.077 6.323 295 HD23 LEU 43 3HD2 LEU 43 1.582 -4.634 6.111 296 H GLU 44 H GLU 44 -4.050 -5.491 8.980 297 HA GLU 44 HA GLU 44 -4.830 -3.702 7.127 298 HB2 GLU 44 1HB GLU 44 -6.590 -5.023 7.727 299 HB3 GLU 44 2HB GLU 44 -6.210 -4.935 9.442 300 HG2 GLU 44 1HG GLU 44 -8.329 -3.859 8.956 301 HG3 GLU 44 2HG GLU 44 -7.148 -2.693 9.550 302 HA PRO 45 HA PRO 45 -5.630 -0.218 10.380 303 HB2 PRO 45 1HB PRO 45 -4.658 -0.609 12.885 304 HB3 PRO 45 2HB PRO 45 -6.278 -1.117 12.393 305 HG2 PRO 45 1HG PRO 45 -3.772 -2.739 12.624 306 HG3 PRO 45 2HG PRO 45 -5.422 -3.150 13.130 307 HD2 PRO 45 1HD PRO 45 -4.328 -4.078 10.833 308 HD3 PRO 45 2HD PRO 45 -6.063 -3.740 10.996 309 H GLU 46 H GLU 46 -2.631 -1.990 11.144 310 HA GLU 46 HA GLU 46 -0.985 0.186 11.647 311 HB2 GLU 46 1HB GLU 46 -0.463 -2.575 10.597 312 HB3 GLU 46 2HB GLU 46 0.850 -1.411 10.711 313 HG2 GLU 46 1HG GLU 46 1.087 -2.358 12.741 314 HG3 GLU 46 2HG GLU 46 -0.127 -1.155 13.172 315 H TRP 47 H TRP 47 -2.172 -1.059 8.630 316 HA TRP 47 HA TRP 47 -0.325 0.571 7.073 317 HB2 TRP 47 1HB TRP 47 -0.984 -1.775 6.392 318 HB3 TRP 47 2HB TRP 47 -2.590 -1.142 6.044 319 HD1 TRP 47 HD TRP 47 -2.942 0.027 3.747 320 HE1 TRP 47 1HE TRP 47 -1.423 0.518 1.728 321 HE3 TRP 47 3HE TRP 47 1.578 -1.154 5.825 322 HZ2 TRP 47 2HZ TRP 47 1.326 0.417 1.099 323 HZ3 TRP 47 3HZ TRP 47 3.603 -0.930 4.447 324 HH2 TRP 47 HH TRP 47 3.478 -0.161 2.133 325 H ALA 48 H ALA 48 -3.717 0.444 7.976 326 HA ALA 48 HA ALA 48 -4.733 2.364 6.220 327 HB1 ALA 48 1HB ALA 48 -6.642 1.986 7.304 328 HB2 ALA 48 2HB ALA 48 -5.740 0.834 8.289 329 HB3 ALA 48 3HB ALA 48 -5.956 2.492 8.848 330 H ALA 49 H ALA 49 -3.451 2.767 9.517 331 HA ALA 49 HA ALA 49 -3.765 5.582 9.576 332 HB1 ALA 49 1HB ALA 49 -2.686 5.531 11.635 333 HB2 ALA 49 2HB ALA 49 -3.434 3.937 11.531 334 HB3 ALA 49 3HB ALA 49 -1.712 4.126 11.200 335 H ALA 50 H ALA 50 -0.959 3.500 8.920 336 HA ALA 50 HA ALA 50 1.021 5.373 8.630 337 HB1 ALA 50 1HB ALA 50 0.923 2.729 8.262 338 HB2 ALA 50 2HB ALA 50 0.974 3.246 6.576 339 HB3 ALA 50 3HB ALA 50 2.258 3.727 7.685 340 H ALA 51 H ALA 51 -1.289 4.316 6.142 341 HA ALA 51 HA ALA 51 -0.361 5.785 3.995 342 HB1 ALA 51 1HB ALA 51 -3.263 5.285 4.642 343 HB2 ALA 51 2HB ALA 51 -2.565 5.591 3.051 344 HB3 ALA 51 3HB ALA 51 -2.179 4.101 3.911 345 H SER 52 H SER 52 -2.870 6.786 6.327 346 HA SER 52 HA SER 52 -3.160 9.397 5.324 347 HB2 SER 52 1HB SER 52 -3.862 8.057 7.913 348 HB3 SER 52 2HB SER 52 -4.033 9.806 7.763 349 HG SER 52 HG SER 52 -5.923 9.197 7.000 350 H GLU 53 H GLU 53 -1.087 8.057 7.849 351 HA GLU 53 HA GLU 53 -0.063 10.532 8.765 352 HB2 GLU 53 1HB GLU 53 0.150 8.625 10.185 353 HB3 GLU 53 2HB GLU 53 0.988 7.710 8.938 354 HG2 GLU 53 1HG GLU 53 2.722 8.308 10.304 355 HG3 GLU 53 2HG GLU 53 2.756 9.609 9.116 356 H VAL 54 H VAL 54 0.743 8.451 6.099 357 HA VAL 54 HA VAL 54 3.301 9.675 5.587 358 HB VAL 54 HB VAL 54 1.628 7.801 3.911 359 HG11 VAL 54 1HG1 VAL 54 3.542 7.540 2.474 360 HG12 VAL 54 2HG1 VAL 54 3.112 9.250 2.551 361 HG13 VAL 54 3HG1 VAL 54 4.490 8.643 3.471 362 HG21 VAL 54 1HG2 VAL 54 4.168 6.807 4.860 363 HG22 VAL 54 2HG2 VAL 54 3.146 7.330 6.198 364 HG23 VAL 54 3HG2 VAL 54 2.552 6.127 5.053 365 H LYS 55 H LYS 55 0.029 9.904 4.284 366 HA LYS 55 HA LYS 55 0.734 11.700 2.174 367 HB2 LYS 55 1HB LYS 55 -1.493 11.654 1.581 368 HB3 LYS 55 2HB LYS 55 -1.353 10.130 2.448 369 HG2 LYS 55 1HG LYS 55 -2.353 11.074 4.404 370 HG3 LYS 55 2HG LYS 55 -2.321 12.691 3.698 371 HD2 LYS 55 1HD LYS 55 -3.841 11.871 1.906 372 HD3 LYS 55 2HD LYS 55 -3.949 10.330 2.760 373 HE2 LYS 55 1HE LYS 55 -5.066 11.294 4.582 374 HE3 LYS 55 2HE LYS 55 -4.601 12.929 4.113 375 HZ1 LYS 55 1HZ LYS 55 -6.711 11.209 3.006 376 HZ2 LYS 55 2HZ LYS 55 -5.991 12.371 2.010 377 HZ3 LYS 55 3HZ LYS 55 -6.774 12.845 3.433 378 H GLU 56 H GLU 56 -0.167 12.037 5.514 379 HA GLU 56 HA GLU 56 -0.819 14.828 5.345 380 HB2 GLU 56 1HB GLU 56 -1.324 14.708 7.586 381 HB3 GLU 56 2HB GLU 56 -1.531 13.025 7.122 382 HG2 GLU 56 1HG GLU 56 0.705 12.514 7.949 383 HG3 GLU 56 2HG GLU 56 0.923 14.202 8.407 384 H GLN 57 H GLN 57 2.038 12.929 5.993 385 HA GLN 57 HA GLN 57 3.559 15.269 6.820 386 HB2 GLN 57 1HB GLN 57 4.332 12.363 6.526 387 HB3 GLN 57 2HB GLN 57 5.433 13.628 7.056 388 HG2 GLN 57 1HG GLN 57 3.919 14.083 8.960 389 HG3 GLN 57 2HG GLN 57 2.931 12.713 8.453 390 HE21 GLN 57 1HE2 GLN 57 4.310 10.666 8.081 391 HE22 GLN 57 2HE2 GLN 57 5.429 10.294 9.344 392 H THR 58 H THR 58 3.385 12.988 4.131 393 HA THR 58 HA THR 58 5.536 14.298 2.705 394 HB THR 58 HB THR 58 5.257 12.650 1.006 395 HG1 THR 58 1HG THR 58 2.719 12.259 2.206 396 HG21 THR 58 1HG2 THR 58 6.371 11.637 2.789 397 HG22 THR 58 2HG2 THR 58 5.069 10.503 2.431 398 HG23 THR 58 3HG2 THR 58 4.927 11.606 3.799 399 H LYS 59 H LYS 59 2.902 15.653 3.389 400 HA LYS 59 HA LYS 59 1.386 17.064 2.434 401 HB2 LYS 59 1HB LYS 59 3.691 17.296 0.496 402 HB3 LYS 59 2HB LYS 59 2.281 18.347 0.454 403 HG2 LYS 59 1HG LYS 59 3.904 18.060 2.951 404 HG3 LYS 59 2HG LYS 59 4.398 19.160 1.662 405 HD2 LYS 59 1HD LYS 59 1.611 19.239 2.762 406 HD3 LYS 59 2HD LYS 59 2.932 20.067 3.591 407 HE2 LYS 59 1HE LYS 59 3.413 21.056 1.224 408 HE3 LYS 59 2HE LYS 59 1.740 20.604 0.903 409 HZ1 LYS 59 1HZ LYS 59 2.096 22.925 1.732 410 HZ2 LYS 59 2HZ LYS 59 2.539 22.263 3.224 411 HZ3 LYS 59 3HZ LYS 59 0.980 22.013 2.617 412 H GLY 60 H GLY 60 1.325 14.205 1.621 413 HA2 GLY 60 1HA GLY 60 -0.200 13.024 0.330 414 HA3 GLY 60 2HA GLY 60 -0.595 14.515 -0.513 415 H LYS 61 H LYS 61 2.697 13.414 -0.209 416 HA LYS 61 HA LYS 61 2.877 13.215 -3.104 417 HB2 LYS 61 1HB LYS 61 4.649 14.452 -2.157 418 HB3 LYS 61 2HB LYS 61 4.903 13.270 -0.880 419 HG2 LYS 61 1HG LYS 61 6.700 13.059 -2.409 420 HG3 LYS 61 2HG LYS 61 5.653 11.657 -2.640 421 HD2 LYS 61 1HD LYS 61 4.672 12.663 -4.604 422 HD3 LYS 61 2HD LYS 61 5.581 14.152 -4.337 423 HE2 LYS 61 1HE LYS 61 7.679 12.811 -4.580 424 HE3 LYS 61 2HE LYS 61 6.679 11.438 -5.051 425 HZ1 LYS 61 1HZ LYS 61 7.597 13.552 -6.648 426 HZ2 LYS 61 2HZ LYS 61 5.909 13.629 -6.598 427 HZ3 LYS 61 3HZ LYS 61 6.676 12.211 -7.110 428 H VAL 62 H VAL 62 4.019 11.209 -0.379 429 HA VAL 62 HA VAL 62 4.177 8.881 -2.083 430 HB VAL 62 HB VAL 62 4.485 8.907 0.913 431 HG11 VAL 62 1HG1 VAL 62 4.678 6.717 0.446 432 HG12 VAL 62 2HG1 VAL 62 4.997 7.005 -1.265 433 HG13 VAL 62 3HG1 VAL 62 6.300 7.156 -0.087 434 HG21 VAL 62 1HG2 VAL 62 6.588 9.536 -1.157 435 HG22 VAL 62 2HG2 VAL 62 5.900 10.673 0.003 436 HG23 VAL 62 3HG2 VAL 62 6.876 9.317 0.570 437 H LYS 63 H LYS 63 2.358 7.869 -2.626 438 HA LYS 63 HA LYS 63 0.102 7.803 -0.783 439 HB2 LYS 63 1HB LYS 63 0.372 6.822 -3.631 440 HB3 LYS 63 2HB LYS 63 -1.113 6.782 -2.690 441 HG2 LYS 63 1HG LYS 63 -1.410 9.056 -2.805 442 HG3 LYS 63 2HG LYS 63 0.308 9.376 -3.057 443 HD2 LYS 63 1HD LYS 63 0.198 8.946 -5.306 444 HD3 LYS 63 2HD LYS 63 -1.163 7.834 -5.136 445 HE2 LYS 63 1HE LYS 63 -2.717 9.546 -5.055 446 HE3 LYS 63 2HE LYS 63 -1.529 10.738 -4.531 447 HZ1 LYS 63 1HZ LYS 63 -2.416 10.239 -7.119 448 HZ2 LYS 63 2HZ LYS 63 -0.799 9.749 -7.061 449 HZ3 LYS 63 3HZ LYS 63 -1.219 11.329 -6.627 450 H LEU 64 H LEU 64 -0.983 5.817 -0.252 451 HA LEU 64 HA LEU 64 0.771 3.452 -0.343 452 HB2 LEU 64 1HB LEU 64 -0.619 4.739 1.938 453 HB3 LEU 64 2HB LEU 64 -0.581 2.977 1.905 454 HG LEU 64 HG LEU 64 1.957 3.222 1.655 455 HD11 LEU 64 1HD1 LEU 64 1.761 5.691 1.129 456 HD12 LEU 64 2HD1 LEU 64 2.975 5.237 2.324 457 HD13 LEU 64 3HD1 LEU 64 1.441 5.932 2.846 458 HD21 LEU 64 1HD2 LEU 64 0.630 2.546 3.714 459 HD22 LEU 64 2HD2 LEU 64 0.839 4.208 4.265 460 HD23 LEU 64 3HD2 LEU 64 2.250 3.186 3.989 461 H ALA 65 H ALA 65 -0.130 1.844 -1.428 462 HA ALA 65 HA ALA 65 -3.056 1.520 -1.306 463 HB1 ALA 65 1HB ALA 65 -1.478 0.795 -3.749 464 HB2 ALA 65 2HB ALA 65 -3.213 1.074 -3.587 465 HB3 ALA 65 3HB ALA 65 -2.090 2.432 -3.506 466 H ALA 66 H ALA 66 -3.679 -0.756 -2.120 467 HA ALA 66 HA ALA 66 -1.724 -2.741 -1.175 468 HB1 ALA 66 1HB ALA 66 -3.253 -2.418 0.643 469 HB2 ALA 66 2HB ALA 66 -4.640 -2.594 -0.432 470 HB3 ALA 66 3HB ALA 66 -3.597 -3.978 -0.106 471 H VAL 67 H VAL 67 -2.212 -4.960 -1.902 472 HA VAL 67 HA VAL 67 -3.950 -5.184 -4.229 473 HB VAL 67 HB VAL 67 -0.986 -5.749 -4.381 474 HG11 VAL 67 1HG1 VAL 67 -1.343 -7.080 -6.130 475 HG12 VAL 67 2HG1 VAL 67 -3.047 -7.089 -5.673 476 HG13 VAL 67 3HG1 VAL 67 -2.459 -5.929 -6.864 477 HG21 VAL 67 1HG2 VAL 67 -0.950 -4.035 -6.100 478 HG22 VAL 67 2HG2 VAL 67 -2.685 -3.779 -5.912 479 HG23 VAL 67 3HG2 VAL 67 -1.586 -3.372 -4.594 480 H ASP 68 H ASP 68 -5.037 -7.023 -4.071 481 HA ASP 68 HA ASP 68 -4.321 -9.023 -2.154 482 HB2 ASP 68 1HB ASP 68 -6.338 -10.197 -2.965 483 HB3 ASP 68 2HB ASP 68 -6.665 -8.510 -2.579 484 H ALA 69 H ALA 69 -2.455 -10.068 -2.669 485 HA ALA 69 HA ALA 69 -1.558 -10.831 -5.175 486 HB1 ALA 69 1HB ALA 69 -0.868 -11.402 -2.437 487 HB2 ALA 69 2HB ALA 69 -0.675 -12.835 -3.448 488 HB3 ALA 69 3HB ALA 69 0.163 -11.341 -3.867 489 H THR 70 H THR 70 -4.211 -12.032 -3.440 490 HA THR 70 HA THR 70 -4.206 -14.703 -4.476 491 HB THR 70 HB THR 70 -6.521 -14.825 -3.619 492 HG1 THR 70 1HG THR 70 -7.579 -13.018 -3.375 493 HG21 THR 70 1HG2 THR 70 -4.779 -13.471 -1.570 494 HG22 THR 70 2HG2 THR 70 -4.459 -15.104 -2.155 495 HG23 THR 70 3HG2 THR 70 -5.971 -14.746 -1.322 496 H VAL 71 H VAL 71 -5.390 -11.618 -5.553 497 HA VAL 71 HA VAL 71 -6.757 -12.921 -7.813 498 HB VAL 71 HB VAL 71 -7.096 -10.081 -6.843 499 HG11 VAL 71 1HG1 VAL 71 -7.624 -10.164 -9.142 500 HG12 VAL 71 2HG1 VAL 71 -8.462 -11.707 -8.972 501 HG13 VAL 71 3HG1 VAL 71 -9.166 -10.240 -8.291 502 HG21 VAL 71 1HG2 VAL 71 -8.974 -12.412 -6.489 503 HG22 VAL 71 2HG2 VAL 71 -7.908 -11.790 -5.229 504 HG23 VAL 71 3HG2 VAL 71 -9.189 -10.770 -5.883 505 H ASN 72 H ASN 72 -4.433 -10.429 -6.917 506 HA ASN 72 HA ASN 72 -3.900 -9.703 -9.659 507 HB2 ASN 72 1HB ASN 72 -2.841 -8.855 -6.988 508 HB3 ASN 72 2HB ASN 72 -1.926 -8.467 -8.442 509 HD21 ASN 72 1HD2 ASN 72 -5.219 -8.293 -7.146 510 HD22 ASN 72 2HD2 ASN 72 -5.597 -6.759 -7.846 511 H GLN 73 H GLN 73 -2.875 -11.142 -10.896 512 HA GLN 73 HA GLN 73 -0.605 -12.618 -9.742 513 HB2 GLN 73 1HB GLN 73 -2.307 -13.283 -12.151 514 HB3 GLN 73 2HB GLN 73 -0.937 -14.231 -11.587 515 HG2 GLN 73 1HG GLN 73 -3.193 -13.665 -9.725 516 HG3 GLN 73 2HG GLN 73 -3.369 -14.913 -10.958 517 HE21 GLN 73 1HE2 GLN 73 -2.398 -14.289 -7.856 518 HE22 GLN 73 2HE2 GLN 73 -1.438 -15.697 -7.576 519 H VAL 74 H VAL 74 -1.661 -10.617 -12.426 520 HA VAL 74 HA VAL 74 0.527 -10.805 -14.116 521 HB VAL 74 HB VAL 74 -1.072 -8.306 -13.542 522 HG11 VAL 74 1HG1 VAL 74 1.183 -8.678 -15.151 523 HG12 VAL 74 2HG1 VAL 74 -0.190 -8.649 -16.261 524 HG13 VAL 74 3HG1 VAL 74 0.081 -7.301 -15.155 525 HG21 VAL 74 1HG2 VAL 74 -1.631 -10.095 -15.852 526 HG22 VAL 74 2HG2 VAL 74 -2.218 -10.575 -14.259 527 HG23 VAL 74 3HG2 VAL 74 -2.718 -9.034 -14.956 528 H LEU 75 H LEU 75 0.121 -8.921 -11.173 529 HA LEU 75 HA LEU 75 2.740 -7.686 -11.501 530 HB2 LEU 75 1HB LEU 75 0.941 -7.397 -9.118 531 HB3 LEU 75 2HB LEU 75 2.185 -6.291 -9.696 532 HG LEU 75 HG LEU 75 -0.326 -6.824 -11.260 533 HD11 LEU 75 1HD1 LEU 75 -1.554 -5.444 -10.003 534 HD12 LEU 75 2HD1 LEU 75 -0.213 -4.326 -9.753 535 HD13 LEU 75 3HD1 LEU 75 -0.363 -5.762 -8.741 536 HD21 LEU 75 1HD2 LEU 75 1.904 -4.838 -11.340 537 HD22 LEU 75 2HD2 LEU 75 0.308 -4.392 -11.945 538 HD23 LEU 75 3HD2 LEU 75 1.171 -5.758 -12.654 539 H ALA 76 H ALA 76 1.056 -9.748 -9.138 540 HA ALA 76 HA ALA 76 3.052 -10.197 -7.323 541 HB1 ALA 76 1HB ALA 76 0.968 -11.133 -6.835 542 HB2 ALA 76 2HB ALA 76 0.903 -12.014 -8.361 543 HB3 ALA 76 3HB ALA 76 2.017 -12.527 -7.094 544 H SER 77 H SER 77 2.625 -11.756 -10.468 545 HA SER 77 HA SER 77 4.856 -13.526 -10.116 546 HB2 SER 77 1HB SER 77 2.972 -14.141 -11.568 547 HB3 SER 77 2HB SER 77 3.332 -12.776 -12.624 548 HG SER 77 HG SER 77 5.562 -13.950 -12.573 549 H ARG 78 H ARG 78 4.291 -10.438 -11.716 550 HA ARG 78 HA ARG 78 6.619 -10.195 -13.191 551 HB2 ARG 78 1HB ARG 78 4.743 -8.596 -13.281 552 HB3 ARG 78 2HB ARG 78 5.180 -8.005 -11.683 553 HG2 ARG 78 1HG ARG 78 7.421 -7.387 -12.649 554 HG3 ARG 78 2HG ARG 78 6.737 -7.740 -14.237 555 HD2 ARG 78 1HD ARG 78 5.108 -6.024 -14.007 556 HD3 ARG 78 2HD ARG 78 5.489 -5.804 -12.300 557 HE ARG 78 HE ARG 78 7.827 -5.273 -13.625 558 HH11 ARG 78 2HH1 ARG 78 4.575 -4.034 -13.717 559 HH12 ARG 78 1HH1 ARG 78 5.057 -2.438 -14.188 560 HH21 ARG 78 2HH2 ARG 78 8.474 -3.176 -14.245 561 HH22 ARG 78 1HH2 ARG 78 7.275 -1.951 -14.489 562 H TYR 79 H TYR 79 6.061 -9.229 -9.812 563 HA TYR 79 HA TYR 79 8.945 -8.833 -9.478 564 HB2 TYR 79 1HB TYR 79 6.799 -8.225 -7.448 565 HB3 TYR 79 2HB TYR 79 8.442 -7.596 -7.509 566 HD1 TYR 79 1HD TYR 79 9.047 -5.853 -9.128 567 HD2 TYR 79 2HD TYR 79 5.048 -7.266 -8.793 568 HE1 TYR 79 1HE TYR 79 8.254 -3.889 -10.380 569 HE2 TYR 79 2HE TYR 79 4.244 -5.308 -10.046 570 HH TYR 79 HH TYR 79 6.464 -3.045 -11.540 571 H GLY 80 H GLY 80 6.426 -11.041 -8.756 572 HA2 GLY 80 1HA GLY 80 6.613 -13.176 -7.870 573 HA3 GLY 80 2HA GLY 80 8.297 -12.837 -7.494 574 H ILE 81 H ILE 81 4.976 -12.305 -6.420 575 HA ILE 81 HA ILE 81 6.004 -11.797 -3.707 576 HB ILE 81 HB ILE 81 3.241 -11.143 -4.728 577 HG12 ILE 81 1HG1 ILE 81 5.012 -9.876 -5.941 578 HG13 ILE 81 2HG1 ILE 81 3.966 -8.847 -4.969 579 HG21 ILE 81 1HG2 ILE 81 4.231 -11.326 -2.152 580 HG22 ILE 81 2HG2 ILE 81 4.284 -9.600 -2.506 581 HG23 ILE 81 3HG2 ILE 81 2.765 -10.484 -2.653 582 HD11 ILE 81 1HD1 ILE 81 5.682 -8.087 -3.794 583 HD12 ILE 81 2HD1 ILE 81 6.278 -9.716 -3.477 584 HD13 ILE 81 3HD1 ILE 81 6.730 -8.887 -4.966 585 H ARG 82 H ARG 82 6.055 -13.677 -2.639 586 HA ARG 82 HA ARG 82 3.621 -15.336 -2.677 587 HB2 ARG 82 1HB ARG 82 6.470 -16.318 -2.420 588 HB3 ARG 82 2HB ARG 82 5.025 -17.320 -2.381 589 HG2 ARG 82 1HG ARG 82 5.823 -17.585 -4.543 590 HG3 ARG 82 2HG ARG 82 4.549 -16.376 -4.718 591 HD2 ARG 82 1HD ARG 82 6.044 -14.658 -5.075 592 HD3 ARG 82 2HD ARG 82 7.354 -15.484 -4.232 593 HE ARG 82 HE ARG 82 6.697 -15.682 -7.012 594 HH11 ARG 82 2HH1 ARG 82 8.126 -17.350 -4.310 595 HH12 ARG 82 1HH1 ARG 82 9.123 -18.366 -5.298 596 HH21 ARG 82 2HH2 ARG 82 8.005 -17.014 -8.322 597 HH22 ARG 82 1HH2 ARG 82 9.054 -18.174 -7.579 598 H GLY 83 H GLY 83 5.910 -13.600 -0.850 599 HA2 GLY 83 1HA GLY 83 4.945 -14.857 1.643 600 HA3 GLY 83 2HA GLY 83 6.503 -14.061 1.476 601 H PHE 84 H PHE 84 3.101 -13.636 1.978 602 HA PHE 84 HA PHE 84 3.375 -10.729 2.081 603 HB2 PHE 84 1HB PHE 84 0.806 -12.093 2.736 604 HB3 PHE 84 2HB PHE 84 1.088 -10.590 1.863 605 HD1 PHE 84 2HD PHE 84 2.944 -11.441 -0.234 606 HD2 PHE 84 1HD PHE 84 -0.504 -13.382 1.334 607 HE1 PHE 84 2HE PHE 84 2.644 -12.625 -2.369 608 HE2 PHE 84 1HE PHE 84 -0.809 -14.571 -0.799 609 HZ PHE 84 HZ PHE 84 0.766 -14.192 -2.654 610 HA PRO 85 HA PRO 85 1.840 -9.163 3.017 611 HB2 PRO 85 1HB PRO 85 2.808 -7.051 4.421 612 HB3 PRO 85 2HB PRO 85 1.283 -7.851 4.819 613 HG2 PRO 85 1HG PRO 85 3.983 -8.191 6.067 614 HG3 PRO 85 2HG PRO 85 2.396 -8.067 6.850 615 HD2 PRO 85 1HD PRO 85 3.651 -10.436 6.466 616 HD3 PRO 85 2HD PRO 85 1.883 -10.277 6.442 617 H THR 86 H THR 86 2.916 -7.595 1.674 618 HA THR 86 HA THR 86 5.842 -7.669 1.685 619 HB THR 86 HB THR 86 4.450 -8.017 -0.943 620 HG1 THR 86 1HG THR 86 5.040 -10.373 -0.493 621 HG21 THR 86 1HG2 THR 86 7.188 -8.453 0.181 622 HG22 THR 86 2HG2 THR 86 6.700 -7.590 -1.277 623 HG23 THR 86 3HG2 THR 86 6.674 -9.353 -1.246 624 H ILE 87 H ILE 87 6.267 -5.564 1.962 625 HA ILE 87 HA ILE 87 4.697 -3.570 0.507 626 HB ILE 87 HB ILE 87 6.776 -3.191 2.666 627 HG12 ILE 87 1HG1 ILE 87 3.877 -2.578 3.029 628 HG13 ILE 87 2HG1 ILE 87 4.384 -4.263 3.096 629 HG21 ILE 87 1HG2 ILE 87 4.957 -1.231 1.278 630 HG22 ILE 87 2HG2 ILE 87 5.854 -0.875 2.753 631 HG23 ILE 87 3HG2 ILE 87 6.721 -1.252 1.264 632 HD11 ILE 87 1HD1 ILE 87 6.061 -3.566 4.834 633 HD12 ILE 87 2HD1 ILE 87 5.246 -2.002 4.870 634 HD13 ILE 87 3HD1 ILE 87 4.367 -3.466 5.312 635 H LYS 88 H LYS 88 5.423 -2.694 -1.308 636 HA LYS 88 HA LYS 88 8.325 -2.590 -1.776 637 HB2 LYS 88 1HB LYS 88 6.217 -3.351 -3.807 638 HB3 LYS 88 2HB LYS 88 7.925 -3.118 -4.155 639 HG2 LYS 88 1HG LYS 88 7.175 -5.081 -2.055 640 HG3 LYS 88 2HG LYS 88 6.909 -5.511 -3.746 641 HD2 LYS 88 1HD LYS 88 9.387 -4.615 -3.987 642 HD3 LYS 88 2HD LYS 88 9.453 -5.039 -2.275 643 HE2 LYS 88 1HE LYS 88 8.677 -7.310 -2.838 644 HE3 LYS 88 2HE LYS 88 8.691 -6.874 -4.546 645 HZ1 LYS 88 1HZ LYS 88 11.157 -6.224 -3.940 646 HZ2 LYS 88 2HZ LYS 88 10.737 -7.804 -4.376 647 HZ3 LYS 88 3HZ LYS 88 10.930 -7.400 -2.745 648 H ILE 89 H ILE 89 9.092 -0.743 -2.695 649 HA ILE 89 HA ILE 89 7.161 1.438 -3.005 650 HB ILE 89 HB ILE 89 10.148 1.434 -2.605 651 HG12 ILE 89 1HG1 ILE 89 9.206 3.015 -0.683 652 HG13 ILE 89 2HG1 ILE 89 7.747 2.068 -0.953 653 HG21 ILE 89 1HG2 ILE 89 9.854 3.196 -4.118 654 HG22 ILE 89 2HG2 ILE 89 8.319 3.676 -3.396 655 HG23 ILE 89 3HG2 ILE 89 9.829 3.969 -2.533 656 HD11 ILE 89 1HD1 ILE 89 10.002 0.323 -0.768 657 HD12 ILE 89 2HD1 ILE 89 9.964 1.408 0.622 658 HD13 ILE 89 3HD1 ILE 89 8.563 0.405 0.247 659 H PHE 90 H PHE 90 7.043 2.703 -4.841 660 HA PHE 90 HA PHE 90 8.582 1.780 -7.174 661 HB2 PHE 90 1HB PHE 90 5.627 2.386 -7.025 662 HB3 PHE 90 2HB PHE 90 6.509 2.250 -8.542 663 HD1 PHE 90 1HD PHE 90 5.244 0.435 -5.624 664 HD2 PHE 90 2HD PHE 90 7.241 0.118 -9.370 665 HE1 PHE 90 1HE PHE 90 4.900 -2.002 -5.598 666 HE2 PHE 90 2HE PHE 90 6.899 -2.319 -9.350 667 HZ PHE 90 HZ PHE 90 5.727 -3.381 -7.463 668 H GLN 91 H GLN 91 9.933 3.421 -7.566 669 HA GLN 91 HA GLN 91 8.855 6.159 -7.513 670 HB2 GLN 91 1HB GLN 91 11.711 5.201 -7.270 671 HB3 GLN 91 2HB GLN 91 11.218 6.889 -7.307 672 HG2 GLN 91 1HG GLN 91 10.089 6.694 -5.231 673 HG3 GLN 91 2HG GLN 91 10.249 4.939 -5.238 674 HE21 GLN 91 1HE2 GLN 91 11.396 4.673 -3.403 675 HE22 GLN 91 2HE2 GLN 91 12.984 5.302 -3.148 676 H LYS 92 H LYS 92 8.257 6.777 -9.484 677 HA LYS 92 HA LYS 92 8.907 5.705 -11.910 678 HB2 LYS 92 1HB LYS 92 7.213 7.549 -11.345 679 HB3 LYS 92 2HB LYS 92 8.545 8.675 -11.565 680 HG2 LYS 92 1HG LYS 92 7.323 8.594 -13.598 681 HG3 LYS 92 2HG LYS 92 8.848 7.747 -13.863 682 HD2 LYS 92 1HD LYS 92 7.839 5.693 -14.011 683 HD3 LYS 92 2HD LYS 92 6.480 6.168 -12.988 684 HE2 LYS 92 1HE LYS 92 5.464 7.381 -14.754 685 HE3 LYS 92 2HE LYS 92 6.913 7.277 -15.752 686 HZ1 LYS 92 1HZ LYS 92 5.468 4.846 -14.902 687 HZ2 LYS 92 2HZ LYS 92 6.537 5.042 -16.198 688 HZ3 LYS 92 3HZ LYS 92 4.986 5.713 -16.273 689 H GLY 93 H GLY 93 10.729 5.495 -13.026 690 HA2 GLY 93 1HA GLY 93 12.525 6.953 -14.082 691 HA3 GLY 93 2HA GLY 93 12.947 7.346 -12.422 692 H GLU 94 H GLU 94 12.664 4.808 -11.265 693 HA GLU 94 HA GLU 94 14.515 3.096 -12.752 694 HB2 GLU 94 1HB GLU 94 14.965 3.969 -9.892 695 HB3 GLU 94 2HB GLU 94 15.931 2.789 -10.766 696 HG2 GLU 94 1HG GLU 94 15.621 5.542 -11.865 697 HG3 GLU 94 2HG GLU 94 16.745 5.247 -10.540 698 H SER 95 H SER 95 14.866 0.986 -11.417 699 HA SER 95 HA SER 95 12.373 -0.283 -11.179 700 HB2 SER 95 1HB SER 95 15.049 -1.186 -10.085 701 HB3 SER 95 2HB SER 95 13.636 -2.211 -10.336 702 HG SER 95 HG SER 95 15.521 -1.456 -12.103 703 HA PRO 96 HA PRO 96 11.061 0.533 -7.070 704 HB2 PRO 96 1HB PRO 96 9.775 -1.783 -6.476 705 HB3 PRO 96 2HB PRO 96 9.125 -0.585 -7.602 706 HG2 PRO 96 1HG PRO 96 10.596 -3.126 -8.181 707 HG3 PRO 96 2HG PRO 96 9.161 -2.458 -8.979 708 HD2 PRO 96 1HD PRO 96 11.646 -2.240 -10.031 709 HD3 PRO 96 2HD PRO 96 10.399 -0.998 -10.263 710 H VAL 97 H VAL 97 11.217 -0.222 -4.828 711 HA VAL 97 HA VAL 97 13.548 -1.980 -4.414 712 HB VAL 97 HB VAL 97 13.918 -0.665 -2.292 713 HG11 VAL 97 1HG1 VAL 97 14.159 0.858 -4.885 714 HG12 VAL 97 2HG1 VAL 97 15.090 1.150 -3.414 715 HG13 VAL 97 3HG1 VAL 97 15.291 -0.362 -4.301 716 HG21 VAL 97 1HG2 VAL 97 11.811 0.391 -1.989 717 HG22 VAL 97 2HG2 VAL 97 12.977 1.668 -2.334 718 HG23 VAL 97 3HG2 VAL 97 11.872 1.120 -3.594 719 H ASP 98 H ASP 98 13.611 -2.944 -2.180 720 HA ASP 98 HA ASP 98 10.929 -3.931 -1.508 721 HB2 ASP 98 1HB ASP 98 11.955 -5.886 -0.645 722 HB3 ASP 98 2HB ASP 98 12.803 -5.531 -2.148 723 H TYR 99 H TYR 99 9.974 -3.033 0.183 724 HA TYR 99 HA TYR 99 11.076 -1.242 1.960 725 HB2 TYR 99 1HB TYR 99 8.657 -1.561 1.678 726 HB3 TYR 99 2HB TYR 99 8.765 -3.129 2.472 727 HD1 TYR 99 1HD TYR 99 9.875 0.376 3.190 728 HD2 TYR 99 2HD TYR 99 8.017 -3.165 4.644 729 HE1 TYR 99 1HE TYR 99 9.524 1.462 5.369 730 HE2 TYR 99 2HE TYR 99 7.660 -2.088 6.826 731 HH TYR 99 HH TYR 99 8.033 -0.288 8.074 732 H ASP 100 H ASP 100 11.170 -1.569 4.408 733 HA ASP 100 HA ASP 100 13.193 -3.513 4.952 734 HB2 ASP 100 1HB ASP 100 12.748 -1.121 5.997 735 HB3 ASP 100 2HB ASP 100 11.799 -2.053 7.153 736 H GLY 101 H GLY 101 9.929 -3.000 6.308 737 HA2 GLY 101 1HA GLY 101 8.552 -5.128 6.267 738 HA3 GLY 101 2HA GLY 101 9.929 -5.848 7.088 739 H GLY 102 H GLY 102 9.508 -2.658 8.052 740 HA2 GLY 102 1HA GLY 102 9.151 -3.073 10.706 741 HA3 GLY 102 2HA GLY 102 8.503 -1.664 9.880 742 H ARG 103 H ARG 103 6.620 -3.139 8.262 743 HA ARG 103 HA ARG 103 4.398 -3.642 8.365 744 HB2 ARG 103 1HB ARG 103 5.729 -5.526 10.251 745 HB3 ARG 103 2HB ARG 103 3.972 -5.478 10.242 746 HG2 ARG 103 1HG ARG 103 4.119 -5.819 7.734 747 HG3 ARG 103 2HG ARG 103 5.822 -6.200 7.994 748 HD2 ARG 103 1HD ARG 103 3.419 -7.638 9.100 749 HD3 ARG 103 2HD ARG 103 4.617 -8.257 7.965 750 HE ARG 103 HE ARG 103 5.837 -7.481 10.405 751 HH11 ARG 103 2HH1 ARG 103 3.901 -9.987 8.960 752 HH12 ARG 103 1HH1 ARG 103 4.458 -11.222 10.041 753 HH21 ARG 103 2HH2 ARG 103 6.579 -9.097 11.834 754 HH22 ARG 103 1HH2 ARG 103 5.981 -10.714 11.676 755 H THR 104 H THR 104 5.298 -1.381 9.964 756 HA THR 104 HA THR 104 2.970 -1.193 11.711 757 HB THR 104 HB THR 104 4.414 -0.077 13.484 758 HG1 THR 104 1HG THR 104 6.447 0.109 12.936 759 HG21 THR 104 1HG2 THR 104 4.851 -3.027 12.998 760 HG22 THR 104 2HG2 THR 104 3.429 -2.315 13.763 761 HG23 THR 104 3HG2 THR 104 5.006 -2.192 14.543 762 H ARG 105 H ARG 105 1.972 0.695 11.438 763 HA ARG 105 HA ARG 105 2.460 2.559 9.571 764 HB2 ARG 105 1HB ARG 105 0.893 3.904 10.586 765 HB3 ARG 105 2HB ARG 105 0.564 2.373 11.385 766 HG2 ARG 105 1HG ARG 105 2.124 3.164 13.222 767 HG3 ARG 105 2HG ARG 105 2.034 4.755 12.464 768 HD2 ARG 105 1HD ARG 105 -0.353 4.820 12.772 769 HD3 ARG 105 2HD ARG 105 -0.358 3.163 13.373 770 HE ARG 105 HE ARG 105 1.331 4.790 14.958 771 HH11 ARG 105 2HH1 ARG 105 -2.025 4.122 14.316 772 HH12 ARG 105 1HH1 ARG 105 -2.556 4.591 15.896 773 HH21 ARG 105 2HH2 ARG 105 0.644 5.411 17.043 774 HH22 ARG 105 1HH2 ARG 105 -1.037 5.326 17.447 775 H SER 106 H SER 106 3.971 2.436 12.746 776 HA SER 106 HA SER 106 5.212 4.940 12.740 777 HB2 SER 106 1HB SER 106 6.207 2.363 13.979 778 HB3 SER 106 2HB SER 106 6.760 3.984 14.397 779 HG SER 106 HG SER 106 4.884 4.395 15.380 780 H ASP 107 H ASP 107 6.559 1.784 11.774 781 HA ASP 107 HA ASP 107 8.946 2.950 10.711 782 HB2 ASP 107 1HB ASP 107 7.755 0.193 10.692 783 HB3 ASP 107 2HB ASP 107 9.155 0.565 9.690 784 H ILE 108 H ILE 108 6.109 1.393 9.222 785 HA ILE 108 HA ILE 108 6.746 1.636 6.570 786 HB ILE 108 HB ILE 108 4.035 2.031 7.839 787 HG12 ILE 108 1HG1 ILE 108 4.954 -0.431 6.398 788 HG13 ILE 108 2HG1 ILE 108 5.437 -0.174 8.070 789 HG21 ILE 108 1HG2 ILE 108 4.894 2.298 5.096 790 HG22 ILE 108 2HG2 ILE 108 3.710 1.004 5.273 791 HG23 ILE 108 3HG2 ILE 108 3.321 2.635 5.821 792 HD11 ILE 108 1HD1 ILE 108 2.571 -0.085 7.193 793 HD12 ILE 108 2HD1 ILE 108 3.375 -1.575 7.684 794 HD13 ILE 108 3HD1 ILE 108 3.215 -0.242 8.827 795 H VAL 109 H VAL 109 5.550 4.134 8.739 796 HA VAL 109 HA VAL 109 5.225 6.088 6.652 797 HB VAL 109 HB VAL 109 5.137 6.262 9.657 798 HG11 VAL 109 1HG1 VAL 109 4.506 8.599 9.448 799 HG12 VAL 109 2HG1 VAL 109 6.117 8.336 8.776 800 HG13 VAL 109 3HG1 VAL 109 4.731 8.522 7.701 801 HG21 VAL 109 1HG2 VAL 109 2.834 7.188 8.175 802 HG22 VAL 109 2HG2 VAL 109 3.257 5.531 7.743 803 HG23 VAL 109 3HG2 VAL 109 2.944 5.950 9.427 804 H SER 110 H SER 110 7.572 5.512 9.254 805 HA SER 110 HA SER 110 9.194 7.711 8.971 806 HB2 SER 110 1HB SER 110 9.555 6.082 10.737 807 HB3 SER 110 2HB SER 110 10.011 4.855 9.556 808 HG SER 110 HG SER 110 11.927 5.749 9.343 809 H ARG 111 H ARG 111 9.292 4.697 7.108 810 HA ARG 111 HA ARG 111 11.549 5.358 5.550 811 HB2 ARG 111 1HB ARG 111 10.643 3.062 5.794 812 HB3 ARG 111 2HB ARG 111 9.250 3.533 4.830 813 HG2 ARG 111 1HG ARG 111 10.747 2.360 3.411 814 HG3 ARG 111 2HG ARG 111 10.820 4.065 2.963 815 HD2 ARG 111 1HD ARG 111 13.048 3.679 3.060 816 HD3 ARG 111 2HD ARG 111 12.789 4.010 4.773 817 HE ARG 111 HE ARG 111 12.468 1.242 4.111 818 HH11 ARG 111 2HH1 ARG 111 14.785 3.726 4.874 819 HH12 ARG 111 1HH1 ARG 111 15.970 2.616 5.480 820 HH21 ARG 111 2HH2 ARG 111 14.019 -0.229 4.906 821 HH22 ARG 111 1HH2 ARG 111 15.534 0.367 5.496 822 H ALA 112 H ALA 112 8.070 5.563 4.813 823 HA ALA 112 HA ALA 112 8.156 6.568 2.267 824 HB1 ALA 112 1HB ALA 112 6.148 6.024 3.844 825 HB2 ALA 112 2HB ALA 112 6.207 7.752 4.191 826 HB3 ALA 112 3HB ALA 112 5.958 7.193 2.537 827 H LEU 113 H LEU 113 8.645 8.313 5.291 828 HA LEU 113 HA LEU 113 8.717 10.905 4.122 829 HB2 LEU 113 1HB LEU 113 9.971 9.996 6.707 830 HB3 LEU 113 2HB LEU 113 9.574 11.651 6.249 831 HG LEU 113 HG LEU 113 7.456 9.539 6.544 832 HD11 LEU 113 1HD1 LEU 113 9.016 10.876 8.630 833 HD12 LEU 113 2HD1 LEU 113 8.004 9.434 8.712 834 HD13 LEU 113 3HD1 LEU 113 7.268 11.034 8.811 835 HD21 LEU 113 1HD2 LEU 113 6.170 11.693 7.130 836 HD22 LEU 113 2HD2 LEU 113 6.576 11.388 5.441 837 HD23 LEU 113 3HD2 LEU 113 7.532 12.531 6.386 838 H ASP 114 H ASP 114 11.220 8.583 5.077 839 HA ASP 114 HA ASP 114 13.482 10.098 4.597 840 HB2 ASP 114 1HB ASP 114 13.696 7.936 5.610 841 HB3 ASP 114 2HB ASP 114 13.002 7.142 4.199 842 H LEU 115 H LEU 115 11.299 8.607 2.329 843 HA LEU 115 HA LEU 115 13.077 9.179 0.085 844 HB2 LEU 115 1HB LEU 115 10.320 7.998 -0.067 845 HB3 LEU 115 2HB LEU 115 11.620 7.891 -1.253 846 HG LEU 115 HG LEU 115 11.875 6.629 1.459 847 HD11 LEU 115 1HD1 LEU 115 11.224 4.508 0.086 848 HD12 LEU 115 2HD1 LEU 115 10.352 5.665 -0.918 849 HD13 LEU 115 3HD1 LEU 115 9.970 5.524 0.797 850 HD21 LEU 115 1HD2 LEU 115 13.867 6.061 0.670 851 HD22 LEU 115 2HD2 LEU 115 13.517 6.874 -0.856 852 HD23 LEU 115 3HD2 LEU 115 13.088 5.176 -0.642 853 H PHE 116 H PHE 116 9.936 10.125 1.391 854 HA PHE 116 HA PHE 116 8.986 11.731 -0.637 855 HB2 PHE 116 1HB PHE 116 7.496 11.460 1.123 856 HB3 PHE 116 2HB PHE 116 8.712 11.822 2.344 857 HD1 PHE 116 2HD PHE 116 6.851 13.438 -0.449 858 HD2 PHE 116 1HD PHE 116 8.710 13.892 3.353 859 HE1 PHE 116 2HE PHE 116 6.034 15.755 -0.330 860 HE2 PHE 116 1HE PHE 116 7.895 16.210 3.478 861 HZ PHE 116 HZ PHE 116 6.556 17.145 1.634 862 H SER 117 H SER 117 11.118 12.695 2.045 863 HA SER 117 HA SER 117 11.445 15.334 1.692 864 HB2 SER 117 1HB SER 117 12.754 13.704 3.220 865 HB3 SER 117 2HB SER 117 13.914 13.625 1.894 866 HG SER 117 HG SER 117 13.050 16.009 3.173 867 H ASP 118 H ASP 118 12.782 12.837 -0.404 868 HA ASP 118 HA ASP 118 13.918 14.886 -2.162 869 HB2 ASP 118 1HB ASP 118 15.078 12.639 -1.375 870 HB3 ASP 118 2HB ASP 118 14.179 11.966 -2.731 871 H ASN 119 H ASN 119 12.054 11.867 -2.570 872 HA ASN 119 HA ASN 119 11.230 11.985 -5.105 873 HB2 ASN 119 1HB ASN 119 9.759 11.224 -2.617 874 HB3 ASN 119 2HB ASN 119 8.874 11.266 -4.139 875 HD21 ASN 119 1HD2 ASN 119 10.813 9.437 -2.132 876 HD22 ASN 119 2HD2 ASN 119 11.211 8.167 -3.235 877 H ALA 120 H ALA 120 9.261 13.546 -2.569 878 HA ALA 120 HA ALA 120 7.584 14.974 -4.249 879 HB1 ALA 120 1HB ALA 120 7.854 16.614 -2.043 880 HB2 ALA 120 2HB ALA 120 6.716 15.278 -2.219 881 HB3 ALA 120 3HB ALA 120 8.271 15.014 -1.429 882 HA PRO 121 HA PRO 121 9.823 18.361 -5.910 883 HB2 PRO 121 1HB PRO 121 8.076 20.424 -5.662 884 HB3 PRO 121 2HB PRO 121 7.851 19.109 -6.821 885 HG2 PRO 121 1HG PRO 121 6.601 19.494 -4.129 886 HG3 PRO 121 2HG PRO 121 5.852 18.957 -5.643 887 HD2 PRO 121 1HD PRO 121 6.572 17.234 -3.683 888 HD3 PRO 121 2HD PRO 121 6.619 16.797 -5.403 889 HA PRO 122 HA PRO 122 11.691 20.073 -2.188 890 HB2 PRO 122 1HB PRO 122 13.953 20.917 -3.430 891 HB3 PRO 122 2HB PRO 122 13.687 19.235 -2.956 892 HG2 PRO 122 1HG PRO 122 13.347 20.523 -5.636 893 HG3 PRO 122 2HG PRO 122 14.076 18.958 -5.232 894 HD2 PRO 122 1HD PRO 122 11.552 19.187 -6.187 895 HD3 PRO 122 2HD PRO 122 12.030 17.911 -5.049 896 HA PRO 123 HA PRO 123 10.836 24.376 -2.486 897 HB2 PRO 123 1HB PRO 123 12.751 25.446 -0.886 898 HB3 PRO 123 2HB PRO 123 11.373 24.534 -0.257 899 HG2 PRO 123 1HG PRO 123 14.186 23.627 -0.737 900 HG3 PRO 123 2HG PRO 123 13.124 23.297 0.644 901 HD2 PRO 123 1HD PRO 123 13.527 21.504 -1.344 902 HD3 PRO 123 2HD PRO 123 11.989 21.626 -0.466 903 H GLU 124 H GLU 124 11.943 26.566 -2.868 904 HA GLU 124 HA GLU 124 12.938 26.852 -5.324 905 HB2 GLU 124 1HB GLU 124 12.553 28.604 -3.389 906 HB3 GLU 124 2HB GLU 124 14.298 28.479 -3.218 907 HG2 GLU 124 1HG GLU 124 14.405 28.959 -5.720 908 HG3 GLU 124 2HG GLU 124 12.717 29.445 -5.572 909 H LEU 125 H LEU 125 14.341 25.394 -6.166 910 HA LEU 125 HA LEU 125 17.056 25.370 -5.026 911 HB2 LEU 125 1HB LEU 125 15.520 23.238 -4.839 912 HB3 LEU 125 2HB LEU 125 16.022 23.004 -6.512 913 HG LEU 125 HG LEU 125 17.342 21.754 -4.761 914 HD11 LEU 125 1HD1 LEU 125 18.089 22.821 -7.155 915 HD12 LEU 125 2HD1 LEU 125 19.054 21.696 -6.200 916 HD13 LEU 125 3HD1 LEU 125 19.345 23.431 -6.077 917 HD21 LEU 125 1HD2 LEU 125 18.873 24.242 -4.245 918 HD22 LEU 125 2HD2 LEU 125 18.664 22.809 -3.239 919 HD23 LEU 125 3HD2 LEU 125 17.371 24.005 -3.352 920 H LEU 126 H LEU 126 18.770 25.296 -6.489 921 HA LEU 126 HA LEU 126 18.214 26.465 -9.051 922 HB2 LEU 126 1HB LEU 126 20.715 26.312 -9.315 923 HB3 LEU 126 2HB LEU 126 20.132 27.274 -7.958 924 HG LEU 126 HG LEU 126 20.867 24.432 -7.462 925 HD11 LEU 126 1HD1 LEU 126 23.092 24.676 -7.675 926 HD12 LEU 126 2HD1 LEU 126 23.061 26.373 -7.196 927 HD13 LEU 126 3HD1 LEU 126 22.645 25.916 -8.848 928 HD21 LEU 126 1HD2 LEU 126 21.855 26.333 -5.582 929 HD22 LEU 126 2HD2 LEU 126 20.612 25.100 -5.363 930 HD23 LEU 126 3HD2 LEU 126 20.169 26.708 -5.939 931 H GLU 127 H GLU 127 16.899 24.554 -9.739 932 HA GLU 127 HA GLU 127 18.401 22.192 -10.501 933 HB2 GLU 127 1HB GLU 127 16.135 21.908 -9.654 934 HB3 GLU 127 2HB GLU 127 15.504 22.939 -10.930 935 HG2 GLU 127 1HG GLU 127 15.948 21.340 -12.591 936 HG3 GLU 127 2HG GLU 127 16.986 20.401 -11.520 937 H SER 128 H SER 128 18.716 21.481 -12.624 938 HA SER 128 HA SER 128 19.084 23.610 -14.537 939 HB2 SER 128 1HB SER 128 20.608 21.523 -14.081 940 HB3 SER 128 2HB SER 128 19.509 20.716 -15.198 941 HG SER 128 HG SER 128 21.471 21.822 -16.075 942 H GLY 129 H GLY 129 18.544 22.907 -16.937 943 HA2 GLY 129 1HA GLY 129 15.810 23.143 -17.296 944 HA3 GLY 129 2HA GLY 129 16.920 22.551 -18.522 945 HA PRO 130 HA PRO 130 13.888 19.197 -17.262 946 HB2 PRO 130 1HB PRO 130 12.839 18.813 -19.737 947 HB3 PRO 130 2HB PRO 130 12.189 19.990 -18.590 948 HG2 PRO 130 1HG PRO 130 14.028 20.424 -20.912 949 HG3 PRO 130 2HG PRO 130 12.630 21.385 -20.397 950 HD2 PRO 130 1HD PRO 130 15.179 22.109 -19.842 951 HD3 PRO 130 2HD PRO 130 13.825 22.474 -18.754 952 H SER 131 H SER 131 13.898 16.967 -18.002 953 HA SER 131 HA SER 131 16.451 16.273 -19.278 954 HB2 SER 131 1HB SER 131 16.316 14.156 -18.147 955 HB3 SER 131 2HB SER 131 15.955 15.413 -16.963 956 HG SER 131 HG SER 131 13.952 14.013 -18.397 957 H SER 132 H SER 132 16.562 14.825 -20.977 958 HA SER 132 HA SER 132 14.211 14.701 -22.640 959 HB2 SER 132 1HB SER 132 16.281 15.151 -23.758 960 HB3 SER 132 2HB SER 132 17.052 13.743 -23.027 961 HG SER 132 HG SER 132 14.759 13.383 -24.600 962 H GLY 133 H GLY 133 12.713 13.274 -21.936 963 HA2 GLY 133 1HA GLY 133 13.069 10.525 -22.381 964 HA3 GLY 133 2HA GLY 133 13.239 10.827 -20.658 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -11.228 0.977 -9.995 2 HA2 GLY 1 1HA GLY 1 -12.246 2.626 -7.903 3 HA3 GLY 1 2HA GLY 1 -12.956 2.414 -9.497 4 H SER 2 H SER 2 -12.908 1.303 -6.198 5 HA SER 2 HA SER 2 -15.555 0.166 -6.553 6 HB2 SER 2 1HB SER 2 -13.144 -1.462 -5.788 7 HB3 SER 2 2HB SER 2 -14.753 -1.914 -5.224 8 HG SER 2 HG SER 2 -15.318 -1.733 -7.569 9 H SER 3 H SER 3 -16.579 -0.374 -4.473 10 HA SER 3 HA SER 3 -15.930 1.633 -2.505 11 HB2 SER 3 1HB SER 3 -18.286 0.996 -3.229 12 HB3 SER 3 2HB SER 3 -18.077 -0.481 -2.287 13 HG SER 3 HG SER 3 -18.466 0.632 -0.558 14 H GLY 4 H GLY 4 -16.047 0.981 -0.127 15 HA2 GLY 4 1HA GLY 4 -15.340 -0.321 1.654 16 HA3 GLY 4 2HA GLY 4 -15.105 -1.659 0.539 17 H SER 5 H SER 5 -13.596 0.726 2.397 18 HA SER 5 HA SER 5 -10.987 -0.178 1.507 19 HB2 SER 5 1HB SER 5 -11.825 2.724 1.337 20 HB3 SER 5 2HB SER 5 -10.151 2.176 1.258 21 HG SER 5 HG SER 5 -10.505 1.300 -0.678 22 H SER 6 H SER 6 -9.247 0.567 2.941 23 HA SER 6 HA SER 6 -10.262 0.932 5.674 24 HB2 SER 6 1HB SER 6 -7.542 -0.073 4.806 25 HB3 SER 6 2HB SER 6 -8.198 -0.083 6.443 26 HG SER 6 HG SER 6 -9.576 -1.678 5.899 27 H GLY 7 H GLY 7 -9.581 2.588 6.954 28 HA2 GLY 7 1HA GLY 7 -8.936 4.782 7.310 29 HA3 GLY 7 2HA GLY 7 -7.359 4.127 6.890 30 H ASP 8 H ASP 8 -6.349 4.976 5.192 31 HA ASP 8 HA ASP 8 -7.950 6.352 3.145 32 HB2 ASP 8 1HB ASP 8 -6.696 7.822 4.949 33 HB3 ASP 8 2HB ASP 8 -5.299 7.486 3.929 34 H VAL 9 H VAL 9 -6.720 3.710 3.180 35 HA VAL 9 HA VAL 9 -4.422 3.933 1.413 36 HB VAL 9 HB VAL 9 -4.331 2.197 3.093 37 HG11 VAL 9 1HG1 VAL 9 -6.237 0.317 2.143 38 HG12 VAL 9 2HG1 VAL 9 -6.146 1.088 3.728 39 HG13 VAL 9 3HG1 VAL 9 -7.068 1.846 2.429 40 HG21 VAL 9 1HG2 VAL 9 -4.049 0.189 1.581 41 HG22 VAL 9 2HG2 VAL 9 -4.641 1.207 0.267 42 HG23 VAL 9 3HG2 VAL 9 -3.156 1.637 1.116 43 H ILE 10 H ILE 10 -4.443 3.637 -0.740 44 HA ILE 10 HA ILE 10 -7.027 3.406 -2.049 45 HB ILE 10 HB ILE 10 -4.304 3.832 -3.282 46 HG12 ILE 10 1HG1 ILE 10 -6.380 5.971 -2.972 47 HG13 ILE 10 2HG1 ILE 10 -5.322 5.588 -1.618 48 HG21 ILE 10 1HG2 ILE 10 -5.293 4.014 -5.303 49 HG22 ILE 10 2HG2 ILE 10 -6.510 2.980 -4.557 50 HG23 ILE 10 3HG2 ILE 10 -6.765 4.723 -4.639 51 HD11 ILE 10 1HD1 ILE 10 -4.688 6.845 -4.230 52 HD12 ILE 10 2HD1 ILE 10 -4.141 7.263 -2.605 53 HD13 ILE 10 3HD1 ILE 10 -3.448 5.872 -3.438 54 H GLU 11 H GLU 11 -7.682 1.746 -3.339 55 HA GLU 11 HA GLU 11 -6.086 -0.705 -3.189 56 HB2 GLU 11 1HB GLU 11 -8.609 -0.471 -2.523 57 HB3 GLU 11 2HB GLU 11 -8.884 -0.600 -4.254 58 HG2 GLU 11 1HG GLU 11 -7.923 -2.761 -4.338 59 HG3 GLU 11 2HG GLU 11 -7.297 -2.618 -2.697 60 H LEU 12 H LEU 12 -5.010 -1.434 -4.894 61 HA LEU 12 HA LEU 12 -5.772 -0.441 -7.562 62 HB2 LEU 12 1HB LEU 12 -3.019 -1.266 -6.660 63 HB3 LEU 12 2HB LEU 12 -3.458 -0.555 -8.212 64 HG LEU 12 HG LEU 12 -3.720 0.886 -5.577 65 HD11 LEU 12 1HD1 LEU 12 -1.419 0.578 -7.434 66 HD12 LEU 12 2HD1 LEU 12 -1.445 0.720 -5.677 67 HD13 LEU 12 3HD1 LEU 12 -1.691 2.149 -6.680 68 HD21 LEU 12 1HD2 LEU 12 -4.945 1.448 -7.908 69 HD22 LEU 12 2HD2 LEU 12 -3.424 2.310 -8.142 70 HD23 LEU 12 3HD2 LEU 12 -4.440 2.676 -6.747 71 H THR 13 H THR 13 -5.115 -1.901 -9.363 72 HA THR 13 HA THR 13 -5.209 -4.737 -8.575 73 HB THR 13 HB THR 13 -6.773 -5.262 -10.304 74 HG1 THR 13 1HG THR 13 -7.569 -3.618 -11.701 75 HG21 THR 13 1HG2 THR 13 -7.691 -2.796 -8.821 76 HG22 THR 13 2HG2 THR 13 -7.786 -4.459 -8.243 77 HG23 THR 13 3HG2 THR 13 -8.749 -3.951 -9.629 78 H ASP 14 H ASP 14 -4.857 -6.099 -10.726 79 HA ASP 14 HA ASP 14 -2.209 -5.794 -11.478 80 HB2 ASP 14 1HB ASP 14 -2.752 -7.375 -13.340 81 HB3 ASP 14 2HB ASP 14 -3.317 -7.912 -11.761 82 H ASP 15 H ASP 15 -5.086 -4.376 -12.838 83 HA ASP 15 HA ASP 15 -3.515 -3.219 -15.035 84 HB2 ASP 15 1HB ASP 15 -5.753 -2.583 -15.971 85 HB3 ASP 15 2HB ASP 15 -5.504 -4.320 -15.813 86 H SER 16 H SER 16 -5.369 -2.433 -12.184 87 HA SER 16 HA SER 16 -5.167 0.429 -12.704 88 HB2 SER 16 1HB SER 16 -6.552 -1.202 -10.579 89 HB3 SER 16 2HB SER 16 -6.400 0.551 -10.456 90 HG SER 16 HG SER 16 -7.730 -0.952 -12.455 91 H PHE 17 H PHE 17 -2.903 -1.521 -11.961 92 HA PHE 17 HA PHE 17 -1.946 -0.241 -9.509 93 HB2 PHE 17 1HB PHE 17 -1.630 -2.547 -9.327 94 HB3 PHE 17 2HB PHE 17 -1.160 -2.715 -11.015 95 HD1 PHE 17 2HD PHE 17 1.079 -1.685 -11.716 96 HD2 PHE 17 1HD PHE 17 -0.020 -2.400 -7.666 97 HE1 PHE 17 2HE PHE 17 3.449 -1.609 -11.063 98 HE2 PHE 17 1HE PHE 17 2.350 -2.324 -7.007 99 HZ PHE 17 HZ PHE 17 4.088 -1.930 -8.706 100 H ASP 18 H ASP 18 -0.892 -0.882 -12.841 101 HA ASP 18 HA ASP 18 1.398 0.854 -12.578 102 HB2 ASP 18 1HB ASP 18 1.329 0.418 -15.207 103 HB3 ASP 18 2HB ASP 18 1.931 -0.793 -14.077 104 H LYS 19 H LYS 19 -1.600 0.900 -14.504 105 HA LYS 19 HA LYS 19 -1.252 3.409 -15.665 106 HB2 LYS 19 1HB LYS 19 -3.412 3.207 -16.420 107 HB3 LYS 19 2HB LYS 19 -3.069 1.529 -16.018 108 HG2 LYS 19 1HG LYS 19 -4.254 1.724 -13.941 109 HG3 LYS 19 2HG LYS 19 -4.472 3.459 -14.181 110 HD2 LYS 19 1HD LYS 19 -5.628 2.693 -16.406 111 HD3 LYS 19 2HD LYS 19 -5.815 1.165 -15.542 112 HE2 LYS 19 1HE LYS 19 -7.032 2.244 -13.779 113 HE3 LYS 19 2HE LYS 19 -6.698 3.836 -14.459 114 HZ1 LYS 19 1HZ LYS 19 -8.358 1.716 -15.712 115 HZ2 LYS 19 2HZ LYS 19 -8.007 3.215 -16.410 116 HZ3 LYS 19 3HZ LYS 19 -8.931 3.137 -14.995 117 H ASN 20 H ASN 20 -1.825 2.606 -12.422 118 HA ASN 20 HA ASN 20 -2.887 5.272 -11.807 119 HB2 ASN 20 1HB ASN 20 -2.875 2.657 -10.337 120 HB3 ASN 20 2HB ASN 20 -3.059 4.163 -9.442 121 HD21 ASN 20 1HD2 ASN 20 -4.427 2.189 -12.003 122 HD22 ASN 20 2HD2 ASN 20 -6.038 2.800 -11.866 123 H VAL 21 H VAL 21 -0.063 3.319 -11.594 124 HA VAL 21 HA VAL 21 1.197 5.188 -9.711 125 HB VAL 21 HB VAL 21 1.931 2.410 -10.600 126 HG11 VAL 21 1HG1 VAL 21 3.990 2.633 -9.262 127 HG12 VAL 21 2HG1 VAL 21 3.983 3.693 -10.673 128 HG13 VAL 21 3HG1 VAL 21 3.657 4.353 -9.070 129 HG21 VAL 21 1HG2 VAL 21 2.148 2.716 -7.833 130 HG22 VAL 21 2HG2 VAL 21 0.691 3.599 -8.287 131 HG23 VAL 21 3HG2 VAL 21 0.861 1.898 -8.718 132 H LEU 22 H LEU 22 2.196 3.376 -12.621 133 HA LEU 22 HA LEU 22 4.371 4.976 -13.278 134 HB2 LEU 22 1HB LEU 22 2.675 3.708 -15.391 135 HB3 LEU 22 2HB LEU 22 4.429 3.877 -15.327 136 HG LEU 22 HG LEU 22 2.710 1.927 -13.804 137 HD11 LEU 22 1HD1 LEU 22 3.278 1.393 -16.156 138 HD12 LEU 22 2HD1 LEU 22 3.960 0.256 -14.993 139 HD13 LEU 22 3HD1 LEU 22 4.986 1.487 -15.729 140 HD21 LEU 22 1HD2 LEU 22 5.686 2.031 -13.572 141 HD22 LEU 22 2HD2 LEU 22 4.500 1.299 -12.491 142 HD23 LEU 22 3HD2 LEU 22 4.686 3.053 -12.539 143 H ASP 23 H ASP 23 0.971 5.459 -13.847 144 HA ASP 23 HA ASP 23 1.363 7.599 -15.743 145 HB2 ASP 23 1HB ASP 23 -0.679 5.946 -15.450 146 HB3 ASP 23 2HB ASP 23 -1.231 7.179 -14.320 147 H SER 24 H SER 24 2.153 7.508 -12.680 148 HA SER 24 HA SER 24 1.367 10.301 -12.200 149 HB2 SER 24 1HB SER 24 -0.021 8.856 -10.774 150 HB3 SER 24 2HB SER 24 1.432 8.104 -10.116 151 HG SER 24 HG SER 24 0.389 9.935 -8.916 152 H GLU 25 H GLU 25 2.885 11.588 -11.153 153 HA GLU 25 HA GLU 25 5.608 10.518 -11.211 154 HB2 GLU 25 1HB GLU 25 4.514 13.328 -11.185 155 HB3 GLU 25 2HB GLU 25 6.224 12.975 -10.980 156 HG2 GLU 25 1HG GLU 25 5.971 11.664 -13.194 157 HG3 GLU 25 2HG GLU 25 4.498 12.613 -13.389 158 H ASP 26 H ASP 26 3.660 9.994 -9.036 159 HA ASP 26 HA ASP 26 5.183 11.178 -6.806 160 HB2 ASP 26 1HB ASP 26 2.290 10.287 -6.817 161 HB3 ASP 26 2HB ASP 26 3.159 10.934 -5.427 162 H VAL 27 H VAL 27 5.420 9.826 -4.901 163 HA VAL 27 HA VAL 27 6.220 7.178 -5.577 164 HB VAL 27 HB VAL 27 5.935 8.423 -2.839 165 HG11 VAL 27 1HG1 VAL 27 6.314 5.778 -3.461 166 HG12 VAL 27 2HG1 VAL 27 7.963 6.366 -3.234 167 HG13 VAL 27 3HG1 VAL 27 6.774 6.554 -1.945 168 HG21 VAL 27 1HG2 VAL 27 8.452 8.671 -3.092 169 HG22 VAL 27 2HG2 VAL 27 8.201 8.385 -4.814 170 HG23 VAL 27 3HG2 VAL 27 7.450 9.776 -4.033 171 H TRP 28 H TRP 28 5.048 5.383 -5.602 172 HA TRP 28 HA TRP 28 2.486 5.364 -4.148 173 HB2 TRP 28 1HB TRP 28 3.296 4.226 -6.799 174 HB3 TRP 28 2HB TRP 28 1.994 3.465 -5.889 175 HD1 TRP 28 HD TRP 28 2.851 6.708 -7.743 176 HE1 TRP 28 1HE TRP 28 0.665 7.977 -8.225 177 HE3 TRP 28 3HE TRP 28 -0.389 3.786 -5.077 178 HZ2 TRP 28 2HZ TRP 28 -2.071 7.768 -7.562 179 HZ3 TRP 28 3HZ TRP 28 -2.774 4.390 -5.052 180 HH2 TRP 28 HH TRP 28 -3.596 6.341 -6.269 181 H MET 29 H MET 29 2.640 4.205 -2.345 182 HA MET 29 HA MET 29 4.542 2.019 -2.149 183 HB2 MET 29 1HB MET 29 2.880 3.578 -0.229 184 HB3 MET 29 2HB MET 29 3.373 1.956 0.238 185 HG2 MET 29 1HG MET 29 5.736 2.655 -0.297 186 HG3 MET 29 2HG MET 29 5.124 4.303 -0.420 187 HE1 MET 29 1HE MET 29 6.881 2.599 3.127 188 HE2 MET 29 2HE MET 29 5.987 1.351 2.259 189 HE3 MET 29 3HE MET 29 7.147 2.365 1.399 190 H VAL 30 H VAL 30 3.835 0.248 -3.217 191 HA VAL 30 HA VAL 30 1.063 -0.607 -2.957 192 HB VAL 30 HB VAL 30 3.300 -1.922 -4.503 193 HG11 VAL 30 1HG1 VAL 30 0.424 -2.215 -5.188 194 HG12 VAL 30 2HG1 VAL 30 1.759 -3.351 -5.394 195 HG13 VAL 30 3HG1 VAL 30 1.042 -3.109 -3.800 196 HG21 VAL 30 1HG2 VAL 30 1.215 -0.461 -5.964 197 HG22 VAL 30 2HG2 VAL 30 2.308 0.553 -5.021 198 HG23 VAL 30 3HG2 VAL 30 2.955 -0.541 -6.244 199 H GLU 31 H GLU 31 0.447 -1.918 -1.380 200 HA GLU 31 HA GLU 31 2.423 -3.792 -0.254 201 HB2 GLU 31 1HB GLU 31 2.047 -2.406 1.546 202 HB3 GLU 31 2HB GLU 31 0.399 -2.040 1.057 203 HG2 GLU 31 1HG GLU 31 1.019 -4.815 1.904 204 HG3 GLU 31 2HG GLU 31 0.933 -3.562 3.141 205 H PHE 32 H PHE 32 1.978 -5.830 -0.725 206 HA PHE 32 HA PHE 32 -0.737 -6.587 -1.471 207 HB2 PHE 32 1HB PHE 32 1.728 -8.329 -1.531 208 HB3 PHE 32 2HB PHE 32 0.215 -8.573 -2.399 209 HD1 PHE 32 2HD PHE 32 3.229 -6.450 -2.189 210 HD2 PHE 32 1HD PHE 32 -0.158 -7.585 -4.503 211 HE1 PHE 32 2HE PHE 32 4.153 -5.246 -4.125 212 HE2 PHE 32 1HE PHE 32 0.761 -6.384 -6.444 213 HZ PHE 32 HZ PHE 32 2.919 -5.211 -6.256 214 H TYR 33 H TYR 33 -2.038 -7.862 -0.285 215 HA TYR 33 HA TYR 33 -0.932 -9.293 2.017 216 HB2 TYR 33 1HB TYR 33 -2.464 -8.375 3.572 217 HB3 TYR 33 2HB TYR 33 -1.798 -6.998 2.702 218 HD1 TYR 33 1HD TYR 33 -4.761 -9.202 2.977 219 HD2 TYR 33 2HD TYR 33 -3.199 -5.543 1.469 220 HE1 TYR 33 1HE TYR 33 -7.039 -8.472 2.406 221 HE2 TYR 33 2HE TYR 33 -5.472 -4.802 0.895 222 HH TYR 33 HH TYR 33 -8.087 -6.844 0.743 223 H ALA 34 H ALA 34 -2.761 -10.636 3.074 224 HA ALA 34 HA ALA 34 -4.472 -11.747 0.945 225 HB1 ALA 34 1HB ALA 34 -4.104 -13.869 2.592 226 HB2 ALA 34 2HB ALA 34 -3.152 -13.553 1.141 227 HB3 ALA 34 3HB ALA 34 -2.540 -13.063 2.721 228 HA PRO 35 HA PRO 35 -7.791 -10.866 3.733 229 HB2 PRO 35 1HB PRO 35 -9.711 -12.295 2.451 230 HB3 PRO 35 2HB PRO 35 -9.114 -10.740 1.859 231 HG2 PRO 35 1HG PRO 35 -8.376 -13.508 0.990 232 HG3 PRO 35 2HG PRO 35 -8.691 -12.071 0.000 233 HD2 PRO 35 1HD PRO 35 -6.186 -12.924 0.573 234 HD3 PRO 35 2HD PRO 35 -6.585 -11.207 0.357 235 H TRP 36 H TRP 36 -6.261 -13.818 3.353 236 HA TRP 36 HA TRP 36 -7.872 -15.009 5.513 237 HB2 TRP 36 1HB TRP 36 -6.934 -17.233 4.479 238 HB3 TRP 36 2HB TRP 36 -8.354 -16.461 3.779 239 HD1 TRP 36 HD TRP 36 -8.260 -16.089 1.247 240 HE1 TRP 36 1HE TRP 36 -6.411 -16.066 -0.543 241 HE3 TRP 36 3HE TRP 36 -4.179 -16.578 4.288 242 HZ2 TRP 36 2HZ TRP 36 -3.595 -16.233 -0.652 243 HZ3 TRP 36 3HZ TRP 36 -1.944 -16.639 3.262 244 HH2 TRP 36 HH TRP 36 -1.660 -16.470 0.843 245 H CYS 37 H CYS 37 -5.029 -13.593 4.853 246 HA CYS 37 HA CYS 37 -3.356 -15.415 6.402 247 HB2 CYS 37 1HB CYS 37 -2.431 -14.406 4.346 248 HB3 CYS 37 2HB CYS 37 -2.648 -12.805 5.045 249 HG CYS 37 HG CYS 37 -0.508 -12.757 6.515 250 H GLY 38 H GLY 38 -3.487 -15.259 8.542 251 HA2 GLY 38 1HA GLY 38 -4.612 -13.202 10.011 252 HA3 GLY 38 2HA GLY 38 -3.445 -14.350 10.651 253 H HIS 39 H HIS 39 -1.109 -13.802 9.682 254 HA HIS 39 HA HIS 39 -0.127 -11.633 11.001 255 HB2 HIS 39 1HB HIS 39 1.075 -12.421 8.361 256 HB3 HIS 39 2HB HIS 39 1.891 -11.928 9.842 257 HD1 HIS 39 1HD HIS 39 1.680 -14.773 7.931 258 HD2 HIS 39 2HD HIS 39 0.949 -14.082 11.962 259 HE1 HIS 39 1HE HIS 39 1.894 -17.016 9.048 260 HE2 HIS 39 2HE HIS 39 1.364 -16.587 11.472 261 H CYS 40 H CYS 40 -1.575 -11.691 7.810 262 HA CYS 40 HA CYS 40 -0.832 -9.007 7.141 263 HB2 CYS 40 1HB CYS 40 -2.773 -10.982 5.950 264 HB3 CYS 40 2HB CYS 40 -2.613 -9.343 5.331 265 HG CYS 40 HG CYS 40 -0.410 -9.672 3.997 266 H LYS 41 H LYS 41 -3.787 -10.574 8.315 267 HA LYS 41 HA LYS 41 -5.532 -8.438 8.253 268 HB2 LYS 41 1HB LYS 41 -5.282 -10.878 9.935 269 HB3 LYS 41 2HB LYS 41 -6.373 -9.620 10.501 270 HG2 LYS 41 1HG LYS 41 -7.750 -9.807 8.619 271 HG3 LYS 41 2HG LYS 41 -6.527 -10.695 7.706 272 HD2 LYS 41 1HD LYS 41 -7.509 -11.889 10.245 273 HD3 LYS 41 2HD LYS 41 -8.591 -11.911 8.850 274 HE2 LYS 41 1HE LYS 41 -5.774 -12.769 8.447 275 HE3 LYS 41 2HE LYS 41 -6.851 -13.859 9.319 276 HZ1 LYS 41 1HZ LYS 41 -6.763 -13.235 6.523 277 HZ2 LYS 41 2HZ LYS 41 -8.320 -13.088 7.167 278 HZ3 LYS 41 3HZ LYS 41 -7.479 -14.549 7.313 279 H ASN 42 H ASN 42 -3.002 -9.159 10.583 280 HA ASN 42 HA ASN 42 -3.754 -7.176 12.477 281 HB2 ASN 42 1HB ASN 42 -1.299 -8.831 12.006 282 HB3 ASN 42 2HB ASN 42 -1.238 -7.491 13.148 283 HD21 ASN 42 1HD2 ASN 42 -3.277 -10.274 12.327 284 HD22 ASN 42 2HD2 ASN 42 -3.626 -10.716 13.960 285 H LEU 43 H LEU 43 -1.985 -7.120 9.510 286 HA LEU 43 HA LEU 43 -0.790 -4.527 10.056 287 HB2 LEU 43 1HB LEU 43 0.632 -5.925 8.839 288 HB3 LEU 43 2HB LEU 43 -0.664 -6.465 7.775 289 HG LEU 43 HG LEU 43 -0.678 -4.049 6.898 290 HD11 LEU 43 1HD1 LEU 43 2.172 -3.930 7.701 291 HD12 LEU 43 2HD1 LEU 43 0.963 -3.490 8.907 292 HD13 LEU 43 3HD1 LEU 43 1.029 -2.628 7.370 293 HD21 LEU 43 1HD2 LEU 43 1.852 -5.522 6.270 294 HD22 LEU 43 2HD2 LEU 43 0.775 -4.640 5.187 295 HD23 LEU 43 3HD2 LEU 43 0.283 -6.203 5.841 296 H GLU 44 H GLU 44 -3.531 -5.885 8.418 297 HA GLU 44 HA GLU 44 -4.286 -4.162 6.513 298 HB2 GLU 44 1HB GLU 44 -5.934 -5.699 6.877 299 HB3 GLU 44 2HB GLU 44 -5.803 -5.584 8.626 300 HG2 GLU 44 1HG GLU 44 -7.244 -3.808 8.760 301 HG3 GLU 44 2HG GLU 44 -6.914 -3.277 7.112 302 HA PRO 45 HA PRO 45 -5.918 -0.856 9.637 303 HB2 PRO 45 1HB PRO 45 -5.239 -1.169 12.247 304 HB3 PRO 45 2HB PRO 45 -6.708 -1.860 11.547 305 HG2 PRO 45 1HG PRO 45 -4.075 -3.173 12.101 306 HG3 PRO 45 2HG PRO 45 -5.714 -3.787 12.387 307 HD2 PRO 45 1HD PRO 45 -4.228 -4.538 10.251 308 HD3 PRO 45 2HD PRO 45 -5.998 -4.414 10.187 309 H GLU 46 H GLU 46 -2.779 -2.321 10.252 310 HA GLU 46 HA GLU 46 -1.480 0.026 11.166 311 HB2 GLU 46 1HB GLU 46 -0.463 -2.557 9.994 312 HB3 GLU 46 2HB GLU 46 0.620 -1.261 10.481 313 HG2 GLU 46 1HG GLU 46 -1.134 -2.988 12.172 314 HG3 GLU 46 2HG GLU 46 0.592 -2.662 12.321 315 H TRP 47 H TRP 47 -2.089 -1.323 7.995 316 HA TRP 47 HA TRP 47 -0.315 0.489 6.635 317 HB2 TRP 47 1HB TRP 47 -0.926 -1.811 5.799 318 HB3 TRP 47 2HB TRP 47 -2.528 -1.178 5.430 319 HD1 TRP 47 HD TRP 47 -2.826 0.017 3.155 320 HE1 TRP 47 1HE TRP 47 -1.246 0.664 1.228 321 HE3 TRP 47 3HE TRP 47 1.652 -1.012 5.396 322 HZ2 TRP 47 2HZ TRP 47 1.530 0.728 0.725 323 HZ3 TRP 47 3HZ TRP 47 3.723 -0.631 4.123 324 HH2 TRP 47 HH TRP 47 3.661 0.220 1.836 325 H ALA 48 H ALA 48 -3.795 0.253 7.205 326 HA ALA 48 HA ALA 48 -4.633 2.350 5.558 327 HB1 ALA 48 1HB ALA 48 -6.469 1.263 6.273 328 HB2 ALA 48 2HB ALA 48 -5.756 0.867 7.837 329 HB3 ALA 48 3HB ALA 48 -6.439 2.469 7.560 330 H ALA 49 H ALA 49 -3.756 2.387 9.008 331 HA ALA 49 HA ALA 49 -4.163 5.151 9.390 332 HB1 ALA 49 1HB ALA 49 -3.188 4.876 11.496 333 HB2 ALA 49 2HB ALA 49 -3.916 3.307 11.148 334 HB3 ALA 49 3HB ALA 49 -2.178 3.535 10.955 335 H ALA 50 H ALA 50 -1.250 3.276 8.615 336 HA ALA 50 HA ALA 50 0.646 5.286 8.727 337 HB1 ALA 50 1HB ALA 50 2.031 3.737 7.905 338 HB2 ALA 50 2HB ALA 50 0.641 2.652 7.981 339 HB3 ALA 50 3HB ALA 50 1.036 3.476 6.472 340 H ALA 51 H ALA 51 -1.499 4.409 6.046 341 HA ALA 51 HA ALA 51 -0.491 6.045 4.060 342 HB1 ALA 51 1HB ALA 51 -2.214 4.441 3.586 343 HB2 ALA 51 2HB ALA 51 -3.357 5.299 4.620 344 HB3 ALA 51 3HB ALA 51 -2.790 6.043 3.125 345 H SER 52 H SER 52 -2.917 6.849 6.533 346 HA SER 52 HA SER 52 -3.284 9.526 5.685 347 HB2 SER 52 1HB SER 52 -4.719 8.000 7.286 348 HB3 SER 52 2HB SER 52 -3.712 8.725 8.539 349 HG SER 52 HG SER 52 -4.907 10.396 6.637 350 H GLU 53 H GLU 53 -1.178 8.017 8.085 351 HA GLU 53 HA GLU 53 -0.149 10.476 9.101 352 HB2 GLU 53 1HB GLU 53 -0.052 8.547 10.514 353 HB3 GLU 53 2HB GLU 53 0.818 7.625 9.296 354 HG2 GLU 53 1HG GLU 53 2.812 8.642 9.744 355 HG3 GLU 53 2HG GLU 53 2.053 10.123 10.325 356 H VAL 54 H VAL 54 0.392 8.732 6.255 357 HA VAL 54 HA VAL 54 3.110 9.722 5.881 358 HB VAL 54 HB VAL 54 1.355 7.899 4.248 359 HG11 VAL 54 1HG1 VAL 54 3.465 7.686 2.801 360 HG12 VAL 54 2HG1 VAL 54 2.434 9.098 2.560 361 HG13 VAL 54 3HG1 VAL 54 3.927 9.242 3.489 362 HG21 VAL 54 1HG2 VAL 54 3.960 6.892 4.795 363 HG22 VAL 54 2HG2 VAL 54 3.272 7.509 6.297 364 HG23 VAL 54 3HG2 VAL 54 2.403 6.291 5.365 365 H LYS 55 H LYS 55 -0.124 10.110 4.502 366 HA LYS 55 HA LYS 55 0.690 11.969 2.494 367 HB2 LYS 55 1HB LYS 55 -1.571 12.125 1.919 368 HB3 LYS 55 2HB LYS 55 -1.420 10.489 2.547 369 HG2 LYS 55 1HG LYS 55 -2.416 11.114 4.621 370 HG3 LYS 55 2HG LYS 55 -2.374 12.825 4.186 371 HD2 LYS 55 1HD LYS 55 -3.835 12.117 2.179 372 HD3 LYS 55 2HD LYS 55 -4.123 10.642 3.104 373 HE2 LYS 55 1HE LYS 55 -4.957 11.982 4.974 374 HE3 LYS 55 2HE LYS 55 -4.662 13.455 4.053 375 HZ1 LYS 55 1HZ LYS 55 -6.660 13.239 3.163 376 HZ2 LYS 55 2HZ LYS 55 -6.924 11.799 4.010 377 HZ3 LYS 55 3HZ LYS 55 -6.215 11.759 2.475 378 H GLU 56 H GLU 56 -0.009 12.206 5.842 379 HA GLU 56 HA GLU 56 -0.688 15.010 5.799 380 HB2 GLU 56 1HB GLU 56 -0.969 14.845 8.120 381 HB3 GLU 56 2HB GLU 56 -1.475 13.274 7.515 382 HG2 GLU 56 1HG GLU 56 0.496 12.233 8.254 383 HG3 GLU 56 2HG GLU 56 1.309 13.776 8.510 384 H GLN 57 H GLN 57 2.168 13.064 6.179 385 HA GLN 57 HA GLN 57 3.745 15.376 7.025 386 HB2 GLN 57 1HB GLN 57 4.434 12.447 6.767 387 HB3 GLN 57 2HB GLN 57 5.598 13.687 7.212 388 HG2 GLN 57 1HG GLN 57 4.203 14.243 9.171 389 HG3 GLN 57 2HG GLN 57 3.125 12.916 8.742 390 HE21 GLN 57 1HE2 GLN 57 4.437 10.805 8.310 391 HE22 GLN 57 2HE2 GLN 57 5.571 10.399 9.549 392 H THR 58 H THR 58 3.365 13.143 4.336 393 HA THR 58 HA THR 58 5.553 14.332 2.854 394 HB THR 58 HB THR 58 5.028 12.742 1.100 395 HG1 THR 58 1HG THR 58 2.655 12.432 2.593 396 HG21 THR 58 1HG2 THR 58 5.351 10.654 2.313 397 HG22 THR 58 2HG2 THR 58 4.822 11.422 3.810 398 HG23 THR 58 3HG2 THR 58 6.320 11.937 3.036 399 H LYS 59 H LYS 59 3.009 15.813 3.630 400 HA LYS 59 HA LYS 59 1.553 17.321 2.733 401 HB2 LYS 59 1HB LYS 59 3.808 17.420 0.729 402 HB3 LYS 59 2HB LYS 59 2.448 18.535 0.695 403 HG2 LYS 59 1HG LYS 59 4.268 18.192 3.065 404 HG3 LYS 59 2HG LYS 59 4.501 19.410 1.808 405 HD2 LYS 59 1HD LYS 59 2.170 20.217 2.313 406 HD3 LYS 59 2HD LYS 59 2.180 19.142 3.713 407 HE2 LYS 59 1HE LYS 59 4.328 20.325 4.399 408 HE3 LYS 59 2HE LYS 59 3.929 21.529 3.175 409 HZ1 LYS 59 1HZ LYS 59 1.763 21.813 4.330 410 HZ2 LYS 59 2HZ LYS 59 3.099 22.287 5.252 411 HZ3 LYS 59 3HZ LYS 59 2.333 20.813 5.571 412 H GLY 60 H GLY 60 1.276 14.477 1.937 413 HA2 GLY 60 1HA GLY 60 -0.334 13.369 0.695 414 HA3 GLY 60 2HA GLY 60 -0.716 14.889 -0.100 415 H LYS 61 H LYS 61 2.572 13.830 -0.042 416 HA LYS 61 HA LYS 61 2.555 13.595 -2.931 417 HB2 LYS 61 1HB LYS 61 4.393 14.815 -2.082 418 HB3 LYS 61 2HB LYS 61 4.727 13.608 -0.847 419 HG2 LYS 61 1HG LYS 61 6.362 13.614 -2.700 420 HG3 LYS 61 2HG LYS 61 5.543 12.064 -2.487 421 HD2 LYS 61 1HD LYS 61 4.370 12.261 -4.444 422 HD3 LYS 61 2HD LYS 61 4.370 14.025 -4.393 423 HE2 LYS 61 1HE LYS 61 6.840 12.380 -4.908 424 HE3 LYS 61 2HE LYS 61 5.793 12.982 -6.193 425 HZ1 LYS 61 1HZ LYS 61 6.446 15.084 -4.427 426 HZ2 LYS 61 2HZ LYS 61 6.783 14.943 -6.078 427 HZ3 LYS 61 3HZ LYS 61 7.869 14.324 -4.938 428 H VAL 62 H VAL 62 3.967 11.574 -0.350 429 HA VAL 62 HA VAL 62 4.030 9.259 -2.030 430 HB VAL 62 HB VAL 62 4.339 9.322 0.971 431 HG11 VAL 62 1HG1 VAL 62 4.782 7.323 -1.154 432 HG12 VAL 62 2HG1 VAL 62 6.029 7.428 0.089 433 HG13 VAL 62 3HG1 VAL 62 4.356 7.103 0.542 434 HG21 VAL 62 1HG2 VAL 62 6.454 9.737 -1.141 435 HG22 VAL 62 2HG2 VAL 62 5.830 10.973 -0.047 436 HG23 VAL 62 3HG2 VAL 62 6.736 9.603 0.595 437 H LYS 63 H LYS 63 2.203 8.279 -2.611 438 HA LYS 63 HA LYS 63 -0.034 8.136 -0.736 439 HB2 LYS 63 1HB LYS 63 0.146 7.375 -3.657 440 HB3 LYS 63 2HB LYS 63 -1.316 7.302 -2.682 441 HG2 LYS 63 1HG LYS 63 -1.460 9.631 -2.516 442 HG3 LYS 63 2HG LYS 63 0.212 9.858 -3.035 443 HD2 LYS 63 1HD LYS 63 -0.938 10.411 -4.954 444 HD3 LYS 63 2HD LYS 63 -0.618 8.696 -5.226 445 HE2 LYS 63 1HE LYS 63 -2.897 9.085 -5.787 446 HE3 LYS 63 2HE LYS 63 -2.880 8.219 -4.252 447 HZ1 LYS 63 1HZ LYS 63 -4.457 9.983 -4.116 448 HZ2 LYS 63 2HZ LYS 63 -3.330 11.124 -4.653 449 HZ3 LYS 63 3HZ LYS 63 -3.140 10.398 -3.137 450 H LEU 64 H LEU 64 -0.781 6.274 0.149 451 HA LEU 64 HA LEU 64 0.832 3.862 -0.323 452 HB2 LEU 64 1HB LEU 64 -0.537 5.001 2.048 453 HB3 LEU 64 2HB LEU 64 -0.479 3.245 1.912 454 HG LEU 64 HG LEU 64 2.030 3.471 1.693 455 HD11 LEU 64 1HD1 LEU 64 3.094 5.481 2.341 456 HD12 LEU 64 2HD1 LEU 64 1.566 6.222 2.816 457 HD13 LEU 64 3HD1 LEU 64 1.908 5.920 1.112 458 HD21 LEU 64 1HD2 LEU 64 0.986 2.714 3.745 459 HD22 LEU 64 2HD2 LEU 64 0.705 4.382 4.245 460 HD23 LEU 64 3HD2 LEU 64 2.353 3.766 4.112 461 H ALA 65 H ALA 65 -0.067 2.216 -1.360 462 HA ALA 65 HA ALA 65 -3.002 1.958 -1.325 463 HB1 ALA 65 1HB ALA 65 -2.664 2.679 -3.491 464 HB2 ALA 65 2HB ALA 65 -1.114 1.850 -3.637 465 HB3 ALA 65 3HB ALA 65 -2.615 0.926 -3.681 466 H ALA 66 H ALA 66 -3.802 -0.222 -1.686 467 HA ALA 66 HA ALA 66 -1.868 -2.286 -0.852 468 HB1 ALA 66 1HB ALA 66 -3.322 -1.830 0.995 469 HB2 ALA 66 2HB ALA 66 -4.750 -1.970 -0.031 470 HB3 ALA 66 3HB ALA 66 -3.769 -3.394 0.313 471 H VAL 67 H VAL 67 -2.261 -4.435 -1.609 472 HA VAL 67 HA VAL 67 -4.112 -4.665 -3.876 473 HB VAL 67 HB VAL 67 -1.222 -5.544 -3.958 474 HG11 VAL 67 1HG1 VAL 67 -1.645 -6.293 -6.187 475 HG12 VAL 67 2HG1 VAL 67 -2.856 -7.027 -5.134 476 HG13 VAL 67 3HG1 VAL 67 -3.286 -5.650 -6.150 477 HG21 VAL 67 1HG2 VAL 67 -1.561 -3.097 -4.176 478 HG22 VAL 67 2HG2 VAL 67 -0.900 -3.841 -5.632 479 HG23 VAL 67 3HG2 VAL 67 -2.606 -3.399 -5.565 480 H ASP 68 H ASP 68 -4.850 -6.759 -4.309 481 HA ASP 68 HA ASP 68 -4.488 -8.629 -2.077 482 HB2 ASP 68 1HB ASP 68 -6.606 -8.753 -4.225 483 HB3 ASP 68 2HB ASP 68 -6.593 -9.587 -2.674 484 H ALA 69 H ALA 69 -2.728 -9.844 -2.543 485 HA ALA 69 HA ALA 69 -1.887 -10.682 -5.067 486 HB1 ALA 69 1HB ALA 69 -0.512 -12.325 -3.884 487 HB2 ALA 69 2HB ALA 69 -0.443 -10.743 -3.106 488 HB3 ALA 69 3HB ALA 69 -1.428 -12.028 -2.407 489 H THR 70 H THR 70 -4.558 -11.698 -3.248 490 HA THR 70 HA THR 70 -4.707 -14.408 -4.113 491 HB THR 70 HB THR 70 -7.041 -14.337 -3.332 492 HG1 THR 70 1HG THR 70 -7.927 -12.416 -3.580 493 HG21 THR 70 1HG2 THR 70 -6.577 -14.056 -1.032 494 HG22 THR 70 2HG2 THR 70 -5.322 -12.859 -1.352 495 HG23 THR 70 3HG2 THR 70 -5.051 -14.553 -1.761 496 H VAL 71 H VAL 71 -5.636 -11.360 -5.491 497 HA VAL 71 HA VAL 71 -6.967 -12.770 -7.711 498 HB VAL 71 HB VAL 71 -8.318 -11.068 -6.389 499 HG11 VAL 71 1HG1 VAL 71 -6.814 -9.012 -7.970 500 HG12 VAL 71 2HG1 VAL 71 -7.916 -8.781 -6.612 501 HG13 VAL 71 3HG1 VAL 71 -6.311 -9.462 -6.341 502 HG21 VAL 71 1HG2 VAL 71 -8.430 -9.963 -9.061 503 HG22 VAL 71 2HG2 VAL 71 -8.285 -11.720 -9.089 504 HG23 VAL 71 3HG2 VAL 71 -9.607 -10.958 -8.204 505 H ASN 72 H ASN 72 -4.582 -10.341 -6.840 506 HA ASN 72 HA ASN 72 -3.941 -9.652 -9.549 507 HB2 ASN 72 1HB ASN 72 -2.657 -9.064 -6.887 508 HB3 ASN 72 2HB ASN 72 -1.906 -8.577 -8.404 509 HD21 ASN 72 1HD2 ASN 72 -4.830 -8.279 -6.467 510 HD22 ASN 72 2HD2 ASN 72 -5.290 -6.727 -7.073 511 H GLN 73 H GLN 73 -3.107 -11.182 -10.827 512 HA GLN 73 HA GLN 73 -1.018 -12.941 -9.738 513 HB2 GLN 73 1HB GLN 73 -2.636 -13.281 -12.268 514 HB3 GLN 73 2HB GLN 73 -1.506 -14.445 -11.588 515 HG2 GLN 73 1HG GLN 73 -3.776 -13.537 -9.903 516 HG3 GLN 73 2HG GLN 73 -4.102 -14.658 -11.225 517 HE21 GLN 73 1HE2 GLN 73 -3.781 -14.661 -8.093 518 HE22 GLN 73 2HE2 GLN 73 -2.948 -16.150 -7.821 519 H VAL 74 H VAL 74 -1.728 -10.570 -12.195 520 HA VAL 74 HA VAL 74 0.470 -10.951 -13.885 521 HB VAL 74 HB VAL 74 -0.917 -8.351 -13.219 522 HG11 VAL 74 1HG1 VAL 74 -0.100 -8.149 -15.800 523 HG12 VAL 74 2HG1 VAL 74 0.785 -7.502 -14.416 524 HG13 VAL 74 3HG1 VAL 74 1.225 -9.071 -15.091 525 HG21 VAL 74 1HG2 VAL 74 -1.473 -9.937 -15.677 526 HG22 VAL 74 2HG2 VAL 74 -2.211 -10.442 -14.157 527 HG23 VAL 74 3HG2 VAL 74 -2.517 -8.825 -14.792 528 H LEU 75 H LEU 75 0.141 -9.132 -10.883 529 HA LEU 75 HA LEU 75 2.867 -8.147 -11.052 530 HB2 LEU 75 1HB LEU 75 0.961 -7.900 -8.738 531 HB3 LEU 75 2HB LEU 75 2.392 -6.925 -9.064 532 HG LEU 75 HG LEU 75 -0.106 -6.912 -10.756 533 HD11 LEU 75 1HD1 LEU 75 -0.843 -5.027 -9.641 534 HD12 LEU 75 2HD1 LEU 75 0.742 -4.687 -8.949 535 HD13 LEU 75 3HD1 LEU 75 -0.224 -6.023 -8.324 536 HD21 LEU 75 1HD2 LEU 75 1.389 -6.058 -12.212 537 HD22 LEU 75 2HD2 LEU 75 2.551 -5.650 -10.949 538 HD23 LEU 75 3HD2 LEU 75 1.171 -4.594 -11.252 539 H ALA 76 H ALA 76 0.999 -10.095 -8.717 540 HA ALA 76 HA ALA 76 2.896 -10.887 -6.972 541 HB1 ALA 76 1HB ALA 76 1.687 -13.195 -7.052 542 HB2 ALA 76 2HB ALA 76 0.809 -11.757 -6.527 543 HB3 ALA 76 3HB ALA 76 0.597 -12.370 -8.167 544 H SER 77 H SER 77 2.411 -12.255 -10.206 545 HA SER 77 HA SER 77 4.576 -14.127 -9.918 546 HB2 SER 77 1HB SER 77 2.607 -13.426 -12.028 547 HB3 SER 77 2HB SER 77 4.128 -14.134 -12.571 548 HG SER 77 HG SER 77 3.554 -15.990 -11.751 549 H ARG 78 H ARG 78 4.081 -11.008 -11.495 550 HA ARG 78 HA ARG 78 6.327 -10.758 -13.028 551 HB2 ARG 78 1HB ARG 78 4.547 -9.046 -12.823 552 HB3 ARG 78 2HB ARG 78 5.183 -8.603 -11.244 553 HG2 ARG 78 1HG ARG 78 7.256 -7.868 -12.243 554 HG3 ARG 78 2HG ARG 78 6.707 -8.404 -13.832 555 HD2 ARG 78 1HD ARG 78 5.013 -6.747 -13.902 556 HD3 ARG 78 2HD ARG 78 5.229 -6.358 -12.196 557 HE ARG 78 HE ARG 78 7.653 -5.823 -13.326 558 HH11 ARG 78 2HH1 ARG 78 4.381 -4.799 -13.930 559 HH12 ARG 78 1HH1 ARG 78 4.841 -3.241 -14.531 560 HH21 ARG 78 2HH2 ARG 78 8.271 -3.775 -14.116 561 HH22 ARG 78 1HH2 ARG 78 7.054 -2.659 -14.638 562 H TYR 79 H TYR 79 6.087 -9.970 -9.562 563 HA TYR 79 HA TYR 79 9.015 -9.877 -9.426 564 HB2 TYR 79 1HB TYR 79 7.176 -9.149 -7.163 565 HB3 TYR 79 2HB TYR 79 8.813 -8.585 -7.482 566 HD1 TYR 79 2HD TYR 79 5.287 -8.292 -8.551 567 HD2 TYR 79 1HD TYR 79 9.211 -6.671 -8.833 568 HE1 TYR 79 2HE TYR 79 4.375 -6.293 -9.656 569 HE2 TYR 79 1HE TYR 79 8.310 -4.667 -9.938 570 HH TYR 79 HH TYR 79 5.762 -4.378 -11.431 571 H GLY 80 H GLY 80 6.306 -11.800 -8.553 572 HA2 GLY 80 1HA GLY 80 6.303 -13.970 -7.735 573 HA3 GLY 80 2HA GLY 80 8.041 -13.850 -7.502 574 H ILE 81 H ILE 81 5.143 -12.234 -6.187 575 HA ILE 81 HA ILE 81 6.240 -11.682 -3.675 576 HB ILE 81 HB ILE 81 3.325 -12.166 -4.297 577 HG12 ILE 81 1HG1 ILE 81 4.460 -10.484 -5.782 578 HG13 ILE 81 2HG1 ILE 81 3.148 -9.828 -4.808 579 HG21 ILE 81 1HG2 ILE 81 3.294 -12.015 -2.031 580 HG22 ILE 81 2HG2 ILE 81 4.796 -11.095 -1.961 581 HG23 ILE 81 3HG2 ILE 81 3.291 -10.292 -2.407 582 HD11 ILE 81 1HD1 ILE 81 5.188 -8.397 -4.961 583 HD12 ILE 81 2HD1 ILE 81 4.672 -8.784 -3.320 584 HD13 ILE 81 3HD1 ILE 81 6.044 -9.630 -4.035 585 H ARG 82 H ARG 82 3.618 -14.036 -4.177 586 HA ARG 82 HA ARG 82 3.038 -15.846 -2.878 587 HB2 ARG 82 1HB ARG 82 5.739 -16.310 -4.033 588 HB3 ARG 82 2HB ARG 82 5.161 -17.471 -2.845 589 HG2 ARG 82 1HG ARG 82 3.183 -17.893 -4.197 590 HG3 ARG 82 2HG ARG 82 3.727 -16.700 -5.378 591 HD2 ARG 82 1HD ARG 82 5.727 -18.041 -5.809 592 HD3 ARG 82 2HD ARG 82 5.188 -19.229 -4.623 593 HE ARG 82 HE ARG 82 3.159 -18.919 -6.513 594 HH11 ARG 82 2HH1 ARG 82 6.429 -20.098 -6.331 595 HH12 ARG 82 1HH1 ARG 82 6.223 -21.250 -7.609 596 HH21 ARG 82 2HH2 ARG 82 2.875 -20.431 -8.196 597 HH22 ARG 82 1HH2 ARG 82 4.202 -21.437 -8.670 598 H GLY 83 H GLY 83 4.190 -13.562 -1.372 599 HA2 GLY 83 1HA GLY 83 4.574 -14.973 1.123 600 HA3 GLY 83 2HA GLY 83 5.989 -14.084 0.577 601 H PHE 84 H PHE 84 2.692 -13.824 1.715 602 HA PHE 84 HA PHE 84 2.984 -10.914 1.946 603 HB2 PHE 84 1HB PHE 84 0.431 -12.255 2.671 604 HB3 PHE 84 2HB PHE 84 0.703 -10.728 1.839 605 HD1 PHE 84 2HD PHE 84 1.885 -11.041 -0.545 606 HD2 PHE 84 1HD PHE 84 -0.487 -13.956 1.451 607 HE1 PHE 84 2HE PHE 84 1.418 -12.131 -2.701 608 HE2 PHE 84 1HE PHE 84 -0.958 -15.052 -0.701 609 HZ PHE 84 HZ PHE 84 -0.006 -14.139 -2.781 610 HA PRO 85 HA PRO 85 1.471 -9.441 3.106 611 HB2 PRO 85 1HB PRO 85 2.504 -7.438 4.621 612 HB3 PRO 85 2HB PRO 85 1.015 -8.293 5.044 613 HG2 PRO 85 1HG PRO 85 3.791 -8.694 6.089 614 HG3 PRO 85 2HG PRO 85 2.256 -8.660 6.976 615 HD2 PRO 85 1HD PRO 85 3.508 -10.969 6.318 616 HD3 PRO 85 2HD PRO 85 1.740 -10.836 6.416 617 H THR 86 H THR 86 2.480 -7.628 1.951 618 HA THR 86 HA THR 86 5.392 -7.768 1.706 619 HB THR 86 HB THR 86 3.499 -8.070 -0.633 620 HG1 THR 86 1HG THR 86 5.450 -9.904 -0.500 621 HG21 THR 86 1HG2 THR 86 5.145 -6.803 -1.604 622 HG22 THR 86 2HG2 THR 86 5.870 -8.403 -1.765 623 HG23 THR 86 3HG2 THR 86 6.378 -7.332 -0.460 624 H ILE 87 H ILE 87 6.358 -5.865 1.100 625 HA ILE 87 HA ILE 87 4.604 -3.603 0.434 626 HB ILE 87 HB ILE 87 6.823 -3.516 2.482 627 HG12 ILE 87 1HG1 ILE 87 3.936 -2.898 3.018 628 HG13 ILE 87 2HG1 ILE 87 4.492 -4.568 3.032 629 HG21 ILE 87 1HG2 ILE 87 6.942 -1.391 1.726 630 HG22 ILE 87 2HG2 ILE 87 5.323 -1.433 1.029 631 HG23 ILE 87 3HG2 ILE 87 5.531 -1.178 2.762 632 HD11 ILE 87 1HD1 ILE 87 4.690 -4.012 5.238 633 HD12 ILE 87 2HD1 ILE 87 6.310 -3.626 4.657 634 HD13 ILE 87 3HD1 ILE 87 5.128 -2.339 4.893 635 H LYS 88 H LYS 88 5.261 -2.610 -1.345 636 HA LYS 88 HA LYS 88 8.135 -2.553 -1.966 637 HB2 LYS 88 1HB LYS 88 5.934 -3.047 -3.980 638 HB3 LYS 88 2HB LYS 88 7.656 -2.952 -4.323 639 HG2 LYS 88 1HG LYS 88 6.739 -4.966 -2.345 640 HG3 LYS 88 2HG LYS 88 6.412 -5.261 -4.054 641 HD2 LYS 88 1HD LYS 88 8.838 -4.875 -4.506 642 HD3 LYS 88 2HD LYS 88 9.097 -4.792 -2.762 643 HE2 LYS 88 1HE LYS 88 8.617 -7.038 -2.457 644 HE3 LYS 88 2HE LYS 88 7.703 -7.151 -3.960 645 HZ1 LYS 88 1HZ LYS 88 9.559 -8.077 -4.751 646 HZ2 LYS 88 2HZ LYS 88 10.528 -7.483 -3.498 647 HZ3 LYS 88 3HZ LYS 88 10.169 -6.500 -4.827 648 H ILE 89 H ILE 89 8.864 -0.734 -3.099 649 HA ILE 89 HA ILE 89 6.952 1.508 -3.154 650 HB ILE 89 HB ILE 89 9.928 1.538 -2.651 651 HG12 ILE 89 1HG1 ILE 89 8.938 2.817 -0.564 652 HG13 ILE 89 2HG1 ILE 89 7.481 1.919 -0.974 653 HG21 ILE 89 1HG2 ILE 89 8.014 3.734 -3.313 654 HG22 ILE 89 2HG2 ILE 89 9.383 4.049 -2.247 655 HG23 ILE 89 3HG2 ILE 89 9.660 3.468 -3.889 656 HD11 ILE 89 1HD1 ILE 89 9.526 1.039 0.622 657 HD12 ILE 89 2HD1 ILE 89 8.295 0.028 -0.136 658 HD13 ILE 89 3HD1 ILE 89 9.859 0.251 -0.920 659 H PHE 90 H PHE 90 6.771 2.731 -4.965 660 HA PHE 90 HA PHE 90 8.575 2.130 -7.209 661 HB2 PHE 90 1HB PHE 90 5.573 2.456 -7.395 662 HB3 PHE 90 2HB PHE 90 6.667 2.200 -8.750 663 HD1 PHE 90 1HD PHE 90 5.442 0.639 -5.616 664 HD2 PHE 90 2HD PHE 90 7.215 0.047 -9.439 665 HE1 PHE 90 1HE PHE 90 5.190 -1.794 -5.351 666 HE2 PHE 90 2HE PHE 90 6.966 -2.387 -9.182 667 HZ PHE 90 HZ PHE 90 5.952 -3.311 -7.136 668 H GLN 91 H GLN 91 9.517 3.892 -7.981 669 HA GLN 91 HA GLN 91 8.203 6.492 -7.541 670 HB2 GLN 91 1HB GLN 91 11.141 5.809 -7.696 671 HB3 GLN 91 2HB GLN 91 10.515 7.452 -7.655 672 HG2 GLN 91 1HG GLN 91 10.959 7.180 -5.453 673 HG3 GLN 91 2HG GLN 91 9.311 6.554 -5.482 674 HE21 GLN 91 1HE2 GLN 91 11.248 5.927 -3.535 675 HE22 GLN 91 2HE2 GLN 91 11.588 4.237 -3.643 676 H LYS 92 H LYS 92 8.553 8.135 -9.172 677 HA LYS 92 HA LYS 92 8.362 7.024 -11.833 678 HB2 LYS 92 1HB LYS 92 6.815 8.777 -11.233 679 HB3 LYS 92 2HB LYS 92 8.136 9.851 -10.791 680 HG2 LYS 92 1HG LYS 92 7.678 10.680 -12.847 681 HG3 LYS 92 2HG LYS 92 8.829 9.425 -13.314 682 HD2 LYS 92 1HD LYS 92 5.963 8.669 -13.129 683 HD3 LYS 92 2HD LYS 92 6.456 9.683 -14.487 684 HE2 LYS 92 1HE LYS 92 7.802 7.091 -13.744 685 HE3 LYS 92 2HE LYS 92 6.510 7.220 -14.937 686 HZ1 LYS 92 1HZ LYS 92 7.891 8.704 -16.236 687 HZ2 LYS 92 2HZ LYS 92 8.699 7.242 -15.970 688 HZ3 LYS 92 3HZ LYS 92 9.127 8.618 -15.083 689 H GLY 93 H GLY 93 10.211 6.489 -12.817 690 HA2 GLY 93 1HA GLY 93 11.998 7.536 -14.172 691 HA3 GLY 93 2HA GLY 93 12.415 8.457 -12.734 692 H GLU 94 H GLU 94 12.367 6.518 -10.785 693 HA GLU 94 HA GLU 94 14.682 4.899 -11.572 694 HB2 GLU 94 1HB GLU 94 15.146 4.709 -9.176 695 HB3 GLU 94 2HB GLU 94 15.009 6.393 -9.662 696 HG2 GLU 94 1HG GLU 94 12.854 6.589 -8.689 697 HG3 GLU 94 2HG GLU 94 12.749 4.850 -8.425 698 H SER 95 H SER 95 14.846 2.769 -10.293 699 HA SER 95 HA SER 95 12.478 1.235 -10.925 700 HB2 SER 95 1HB SER 95 13.852 -0.718 -10.494 701 HB3 SER 95 2HB SER 95 14.770 0.421 -11.479 702 HG SER 95 HG SER 95 15.581 1.168 -9.311 703 HA PRO 96 HA PRO 96 10.763 0.945 -6.894 704 HB2 PRO 96 1HB PRO 96 9.692 -1.548 -6.972 705 HB3 PRO 96 2HB PRO 96 9.008 -0.181 -7.859 706 HG2 PRO 96 1HG PRO 96 10.788 -2.378 -8.843 707 HG3 PRO 96 2HG PRO 96 9.356 -1.669 -9.612 708 HD2 PRO 96 1HD PRO 96 11.879 -0.995 -10.328 709 HD3 PRO 96 2HD PRO 96 10.527 0.153 -10.400 710 H VAL 97 H VAL 97 11.169 0.156 -4.843 711 HA VAL 97 HA VAL 97 13.466 -1.671 -4.625 712 HB VAL 97 HB VAL 97 13.628 -0.692 -2.267 713 HG11 VAL 97 1HG1 VAL 97 14.152 1.005 -4.702 714 HG12 VAL 97 2HG1 VAL 97 14.807 1.341 -3.098 715 HG13 VAL 97 3HG1 VAL 97 15.252 -0.143 -3.941 716 HG21 VAL 97 1HG2 VAL 97 12.676 1.566 -2.003 717 HG22 VAL 97 2HG2 VAL 97 11.811 1.362 -3.526 718 HG23 VAL 97 3HG2 VAL 97 11.432 0.326 -2.151 719 H ASP 98 H ASP 98 13.476 -2.820 -2.392 720 HA ASP 98 HA ASP 98 10.806 -4.002 -1.991 721 HB2 ASP 98 1HB ASP 98 13.495 -5.304 -1.513 722 HB3 ASP 98 2HB ASP 98 11.918 -6.074 -1.369 723 H TYR 99 H TYR 99 9.972 -3.015 -0.248 724 HA TYR 99 HA TYR 99 11.487 -2.037 1.931 725 HB2 TYR 99 1HB TYR 99 9.262 -1.159 1.341 726 HB3 TYR 99 2HB TYR 99 8.535 -2.693 1.804 727 HD1 TYR 99 2HD TYR 99 8.366 -3.330 4.157 728 HD2 TYR 99 1HD TYR 99 10.021 0.418 3.010 729 HE1 TYR 99 2HE TYR 99 8.135 -2.526 6.470 730 HE2 TYR 99 1HE TYR 99 9.795 1.232 5.320 731 HH TYR 99 HH TYR 99 7.929 -0.306 7.636 732 H ASP 100 H ASP 100 12.578 -3.272 3.302 733 HA ASP 100 HA ASP 100 11.281 -5.712 4.322 734 HB2 ASP 100 1HB ASP 100 14.096 -5.293 3.377 735 HB3 ASP 100 2HB ASP 100 13.760 -6.494 4.621 736 H GLY 101 H GLY 101 10.524 -4.737 6.189 737 HA2 GLY 101 1HA GLY 101 12.333 -4.600 8.364 738 HA3 GLY 101 2HA GLY 101 11.908 -2.977 7.843 739 H GLY 102 H GLY 102 10.703 -2.342 9.574 740 HA2 GLY 102 1HA GLY 102 8.777 -3.993 10.854 741 HA3 GLY 102 2HA GLY 102 8.937 -2.254 11.044 742 H ARG 103 H ARG 103 6.759 -4.472 10.309 743 HA ARG 103 HA ARG 103 5.570 -3.141 8.005 744 HB2 ARG 103 1HB ARG 103 3.906 -4.955 8.090 745 HB3 ARG 103 2HB ARG 103 5.551 -5.575 8.029 746 HG2 ARG 103 1HG ARG 103 4.722 -6.920 9.652 747 HG3 ARG 103 2HG ARG 103 5.251 -5.573 10.661 748 HD2 ARG 103 1HD ARG 103 3.091 -4.784 10.963 749 HD3 ARG 103 2HD ARG 103 2.484 -5.610 9.528 750 HE ARG 103 HE ARG 103 2.149 -7.501 10.789 751 HH11 ARG 103 2HH1 ARG 103 4.088 -5.231 12.580 752 HH12 ARG 103 1HH1 ARG 103 3.989 -6.119 14.065 753 HH21 ARG 103 2HH2 ARG 103 2.011 -8.678 12.738 754 HH22 ARG 103 1HH2 ARG 103 2.808 -8.080 14.153 755 H THR 104 H THR 104 5.784 -1.951 10.771 756 HA THR 104 HA THR 104 2.944 -1.633 11.430 757 HB THR 104 HB THR 104 3.713 -0.546 13.496 758 HG1 THR 104 1HG THR 104 6.169 -0.727 12.180 759 HG21 THR 104 1HG2 THR 104 3.487 -3.068 13.264 760 HG22 THR 104 2HG2 THR 104 4.480 -2.491 14.603 761 HG23 THR 104 3HG2 THR 104 5.246 -3.113 13.141 762 H ARG 105 H ARG 105 1.875 0.260 11.198 763 HA ARG 105 HA ARG 105 2.395 2.103 9.329 764 HB2 ARG 105 1HB ARG 105 0.750 3.441 10.248 765 HB3 ARG 105 2HB ARG 105 0.404 1.895 11.011 766 HG2 ARG 105 1HG ARG 105 1.804 2.693 12.960 767 HG3 ARG 105 2HG ARG 105 1.766 4.289 12.206 768 HD2 ARG 105 1HD ARG 105 -0.635 4.349 12.339 769 HD3 ARG 105 2HD ARG 105 -0.685 2.685 12.919 770 HE ARG 105 HE ARG 105 0.854 4.004 14.748 771 HH11 ARG 105 2HH1 ARG 105 -2.354 4.426 13.464 772 HH12 ARG 105 1HH1 ARG 105 -2.982 5.136 14.914 773 HH21 ARG 105 2HH2 ARG 105 0.039 4.937 16.664 774 HH22 ARG 105 1HH2 ARG 105 -1.620 5.426 16.733 775 H SER 106 H SER 106 3.636 2.215 12.638 776 HA SER 106 HA SER 106 4.794 4.712 12.677 777 HB2 SER 106 1HB SER 106 5.447 2.114 13.995 778 HB3 SER 106 2HB SER 106 6.619 3.427 14.116 779 HG SER 106 HG SER 106 3.874 3.625 14.814 780 H ASP 107 H ASP 107 6.464 1.691 11.775 781 HA ASP 107 HA ASP 107 8.758 3.027 10.767 782 HB2 ASP 107 1HB ASP 107 7.764 0.207 10.304 783 HB3 ASP 107 2HB ASP 107 9.355 0.800 9.834 784 H ILE 108 H ILE 108 6.085 1.341 9.117 785 HA ILE 108 HA ILE 108 6.729 1.672 6.508 786 HB ILE 108 HB ILE 108 3.993 2.121 7.706 787 HG12 ILE 108 1HG1 ILE 108 4.832 -0.389 6.324 788 HG13 ILE 108 2HG1 ILE 108 5.396 -0.116 7.969 789 HG21 ILE 108 1HG2 ILE 108 4.575 1.264 4.889 790 HG22 ILE 108 2HG2 ILE 108 3.057 1.840 5.574 791 HG23 ILE 108 3HG2 ILE 108 4.397 2.961 5.333 792 HD11 ILE 108 1HD1 ILE 108 3.372 -1.448 7.945 793 HD12 ILE 108 2HD1 ILE 108 3.083 0.112 8.716 794 HD13 ILE 108 3HD1 ILE 108 2.526 -0.174 7.068 795 H VAL 109 H VAL 109 5.354 4.149 8.628 796 HA VAL 109 HA VAL 109 5.178 6.131 6.570 797 HB VAL 109 HB VAL 109 5.092 6.422 9.576 798 HG11 VAL 109 1HG1 VAL 109 5.574 8.421 7.764 799 HG12 VAL 109 2HG1 VAL 109 3.821 8.490 7.956 800 HG13 VAL 109 3HG1 VAL 109 4.870 8.638 9.366 801 HG21 VAL 109 1HG2 VAL 109 2.623 6.932 8.208 802 HG22 VAL 109 2HG2 VAL 109 3.231 5.333 7.778 803 HG23 VAL 109 3HG2 VAL 109 2.975 5.754 9.472 804 H SER 110 H SER 110 7.388 5.578 9.301 805 HA SER 110 HA SER 110 9.035 7.761 9.060 806 HB2 SER 110 1HB SER 110 9.433 6.328 10.893 807 HB3 SER 110 2HB SER 110 9.624 4.914 9.856 808 HG SER 110 HG SER 110 11.392 7.039 9.487 809 H ARG 111 H ARG 111 9.014 4.826 7.123 810 HA ARG 111 HA ARG 111 11.426 5.405 5.713 811 HB2 ARG 111 1HB ARG 111 10.783 3.131 5.773 812 HB3 ARG 111 2HB ARG 111 9.148 3.496 5.239 813 HG2 ARG 111 1HG ARG 111 10.368 2.458 3.449 814 HG3 ARG 111 2HG ARG 111 10.043 4.142 3.036 815 HD2 ARG 111 1HD ARG 111 12.264 4.781 3.412 816 HD3 ARG 111 2HD ARG 111 12.622 3.317 4.326 817 HE ARG 111 HE ARG 111 11.954 2.495 1.775 818 HH11 ARG 111 2HH1 ARG 111 14.387 4.494 3.260 819 HH12 ARG 111 1HH1 ARG 111 15.587 4.152 2.059 820 HH21 ARG 111 2HH2 ARG 111 13.526 2.037 0.187 821 HH22 ARG 111 1HH2 ARG 111 15.096 2.755 0.311 822 H ALA 112 H ALA 112 7.986 5.595 4.796 823 HA ALA 112 HA ALA 112 8.168 6.567 2.257 824 HB1 ALA 112 1HB ALA 112 6.161 6.395 4.205 825 HB2 ALA 112 2HB ALA 112 6.146 8.065 3.636 826 HB3 ALA 112 3HB ALA 112 5.968 6.740 2.486 827 H LEU 113 H LEU 113 8.570 8.388 5.255 828 HA LEU 113 HA LEU 113 8.667 10.961 4.150 829 HB2 LEU 113 1HB LEU 113 9.721 9.717 6.651 830 HB3 LEU 113 2HB LEU 113 10.188 11.365 6.236 831 HG LEU 113 HG LEU 113 7.336 10.443 6.568 832 HD11 LEU 113 1HD1 LEU 113 9.357 11.334 8.518 833 HD12 LEU 113 2HD1 LEU 113 7.915 10.344 8.743 834 HD13 LEU 113 3HD1 LEU 113 7.772 12.099 8.641 835 HD21 LEU 113 1HD2 LEU 113 6.826 12.396 5.650 836 HD22 LEU 113 2HD2 LEU 113 8.534 12.810 5.497 837 HD23 LEU 113 3HD2 LEU 113 7.659 13.208 6.976 838 H ASP 114 H ASP 114 11.323 8.732 4.966 839 HA ASP 114 HA ASP 114 13.515 10.172 4.292 840 HB2 ASP 114 1HB ASP 114 13.897 7.981 5.056 841 HB3 ASP 114 2HB ASP 114 12.878 7.273 3.805 842 H LEU 115 H LEU 115 11.379 8.495 2.012 843 HA LEU 115 HA LEU 115 12.874 9.376 -0.281 844 HB2 LEU 115 1HB LEU 115 10.075 8.294 -0.322 845 HB3 LEU 115 2HB LEU 115 11.303 8.207 -1.583 846 HG LEU 115 HG LEU 115 11.614 6.770 1.039 847 HD11 LEU 115 1HD1 LEU 115 10.465 4.931 0.295 848 HD12 LEU 115 2HD1 LEU 115 10.625 5.378 -1.403 849 HD13 LEU 115 3HD1 LEU 115 9.475 6.228 -0.372 850 HD21 LEU 115 1HD2 LEU 115 13.328 7.210 -1.087 851 HD22 LEU 115 2HD2 LEU 115 12.709 5.583 -1.370 852 HD23 LEU 115 3HD2 LEU 115 13.498 5.973 0.158 853 H PHE 116 H PHE 116 9.789 10.235 1.239 854 HA PHE 116 HA PHE 116 8.730 12.003 -0.537 855 HB2 PHE 116 1HB PHE 116 7.504 11.591 1.439 856 HB3 PHE 116 2HB PHE 116 8.836 12.102 2.470 857 HD1 PHE 116 2HD PHE 116 6.631 13.482 -0.205 858 HD2 PHE 116 1HD PHE 116 8.698 14.169 3.453 859 HE1 PHE 116 2HE PHE 116 5.667 15.743 -0.088 860 HE2 PHE 116 1HE PHE 116 7.736 16.430 3.576 861 HZ PHE 116 HZ PHE 116 6.220 17.220 1.803 862 H SER 117 H SER 117 11.389 12.606 1.706 863 HA SER 117 HA SER 117 11.634 15.377 1.107 864 HB2 SER 117 1HB SER 117 13.728 15.270 2.341 865 HB3 SER 117 2HB SER 117 12.497 14.341 3.196 866 HG SER 117 HG SER 117 14.409 13.156 3.093 867 H ASP 118 H ASP 118 13.077 12.445 -0.184 868 HA ASP 118 HA ASP 118 15.119 13.606 -1.711 869 HB2 ASP 118 1HB ASP 118 13.531 11.072 -2.155 870 HB3 ASP 118 2HB ASP 118 14.956 11.513 -3.091 871 H ASN 119 H ASN 119 11.840 12.627 -2.712 872 HA ASN 119 HA ASN 119 12.148 14.075 -5.215 873 HB2 ASN 119 1HB ASN 119 9.674 13.209 -5.448 874 HB3 ASN 119 2HB ASN 119 11.027 12.098 -5.642 875 HD21 ASN 119 1HD2 ASN 119 11.547 10.688 -3.916 876 HD22 ASN 119 2HD2 ASN 119 10.359 10.257 -2.738 877 H ALA 120 H ALA 120 9.580 13.974 -2.738 878 HA ALA 120 HA ALA 120 8.340 16.358 -3.461 879 HB1 ALA 120 1HB ALA 120 8.260 15.807 -0.593 880 HB2 ALA 120 2HB ALA 120 6.949 15.904 -1.769 881 HB3 ALA 120 3HB ALA 120 7.873 14.411 -1.599 882 HA PRO 121 HA PRO 121 10.957 19.596 -2.059 883 HB2 PRO 121 1HB PRO 121 9.119 21.480 -1.393 884 HB3 PRO 121 2HB PRO 121 9.488 21.047 -3.067 885 HG2 PRO 121 1HG PRO 121 7.215 20.153 -1.336 886 HG3 PRO 121 2HG PRO 121 7.197 20.646 -3.040 887 HD2 PRO 121 1HD PRO 121 7.168 18.049 -2.274 888 HD3 PRO 121 2HD PRO 121 7.951 18.594 -3.771 889 HA PRO 122 HA PRO 122 10.910 18.637 2.361 890 HB2 PRO 122 1HB PRO 122 13.495 19.361 2.767 891 HB3 PRO 122 2HB PRO 122 13.031 17.794 2.092 892 HG2 PRO 122 1HG PRO 122 13.974 20.261 0.682 893 HG3 PRO 122 2HG PRO 122 14.424 18.569 0.399 894 HD2 PRO 122 1HD PRO 122 12.628 19.877 -1.148 895 HD3 PRO 122 2HD PRO 122 12.518 18.135 -0.823 896 HA PRO 123 HA PRO 123 10.278 22.611 4.140 897 HB2 PRO 123 1HB PRO 123 11.121 22.200 6.687 898 HB3 PRO 123 2HB PRO 123 9.617 21.523 6.053 899 HG2 PRO 123 1HG PRO 123 12.289 20.215 6.389 900 HG3 PRO 123 2HG PRO 123 10.676 19.574 6.751 901 HD2 PRO 123 1HD PRO 123 12.031 18.923 4.499 902 HD3 PRO 123 2HD PRO 123 10.259 19.033 4.550 903 H GLU 124 H GLU 124 11.535 24.113 5.875 904 HA GLU 124 HA GLU 124 13.822 25.053 4.508 905 HB2 GLU 124 1HB GLU 124 14.055 26.378 6.792 906 HB3 GLU 124 2HB GLU 124 12.805 26.773 5.621 907 HG2 GLU 124 1HG GLU 124 11.129 25.786 6.884 908 HG3 GLU 124 2HG GLU 124 12.269 24.820 7.820 909 H LEU 125 H LEU 125 15.071 23.044 4.477 910 HA LEU 125 HA LEU 125 16.791 22.864 6.846 911 HB2 LEU 125 1HB LEU 125 15.262 20.685 5.527 912 HB3 LEU 125 2HB LEU 125 16.882 20.317 6.115 913 HG LEU 125 HG LEU 125 14.504 21.218 7.730 914 HD11 LEU 125 1HD1 LEU 125 14.266 19.084 8.335 915 HD12 LEU 125 2HD1 LEU 125 16.002 18.849 8.529 916 HD13 LEU 125 3HD1 LEU 125 15.267 18.709 6.932 917 HD21 LEU 125 1HD2 LEU 125 17.409 21.249 8.341 918 HD22 LEU 125 2HD2 LEU 125 16.305 20.711 9.607 919 HD23 LEU 125 3HD2 LEU 125 16.121 22.316 8.900 920 H LEU 126 H LEU 126 18.926 22.078 6.423 921 HA LEU 126 HA LEU 126 20.343 23.175 4.451 922 HB2 LEU 126 1HB LEU 126 20.686 20.619 5.920 923 HB3 LEU 126 2HB LEU 126 21.753 20.927 4.552 924 HG LEU 126 HG LEU 126 21.492 23.023 6.654 925 HD11 LEU 126 1HD1 LEU 126 23.649 21.157 7.184 926 HD12 LEU 126 2HD1 LEU 126 22.059 20.424 7.390 927 HD13 LEU 126 3HD1 LEU 126 22.481 21.882 8.289 928 HD21 LEU 126 1HD2 LEU 126 22.826 23.639 4.820 929 HD22 LEU 126 2HD2 LEU 126 23.616 22.063 4.756 930 HD23 LEU 126 3HD2 LEU 126 23.966 23.173 6.082 931 H GLU 127 H GLU 127 20.808 22.903 2.323 932 HA GLU 127 HA GLU 127 19.056 21.898 0.532 933 HB2 GLU 127 1HB GLU 127 22.018 22.270 0.416 934 HB3 GLU 127 2HB GLU 127 21.215 21.472 -0.929 935 HG2 GLU 127 1HG GLU 127 19.921 23.373 -1.421 936 HG3 GLU 127 2HG GLU 127 20.323 24.139 0.114 937 H SER 128 H SER 128 18.221 19.963 0.169 938 HA SER 128 HA SER 128 19.453 17.589 1.237 939 HB2 SER 128 1HB SER 128 16.867 18.189 -0.163 940 HB3 SER 128 2HB SER 128 17.403 16.519 0.018 941 HG SER 128 HG SER 128 17.055 16.617 2.113 942 H GLY 129 H GLY 129 20.181 15.794 0.075 943 HA2 GLY 129 1HA GLY 129 21.145 16.453 -2.615 944 HA3 GLY 129 2HA GLY 129 21.762 15.172 -1.582 945 HA PRO 130 HA PRO 130 17.762 13.812 -4.032 946 HB2 PRO 130 1HB PRO 130 17.912 14.641 -6.613 947 HB3 PRO 130 2HB PRO 130 17.074 15.559 -5.356 948 HG2 PRO 130 1HG PRO 130 19.819 15.959 -6.481 949 HG3 PRO 130 2HG PRO 130 18.580 17.168 -6.097 950 HD2 PRO 130 1HD PRO 130 20.678 16.660 -4.461 951 HD3 PRO 130 2HD PRO 130 19.087 17.156 -3.848 952 H SER 131 H SER 131 17.723 12.543 -6.314 953 HA SER 131 HA SER 131 20.326 11.433 -6.970 954 HB2 SER 131 1HB SER 131 19.565 9.098 -6.543 955 HB3 SER 131 2HB SER 131 19.703 10.056 -5.069 956 HG SER 131 HG SER 131 17.235 10.014 -6.372 957 H SER 132 H SER 132 20.386 10.386 -8.956 958 HA SER 132 HA SER 132 17.899 10.540 -10.532 959 HB2 SER 132 1HB SER 132 20.711 10.907 -11.587 960 HB3 SER 132 2HB SER 132 19.205 11.135 -12.477 961 HG SER 132 HG SER 132 19.717 12.611 -10.135 962 H GLY 133 H GLY 133 17.210 8.468 -10.555 963 HA2 GLY 133 1HA GLY 133 18.939 6.213 -10.647 964 HA3 GLY 133 2HA GLY 133 17.202 6.196 -10.912 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -14.007 11.746 -6.221 2 HA2 GLY 1 1HA GLY 1 -14.102 10.934 -3.578 3 HA3 GLY 1 2HA GLY 1 -15.364 10.610 -4.757 4 H SER 2 H SER 2 -15.336 8.733 -3.040 5 HA SER 2 HA SER 2 -14.918 6.543 -2.536 6 HB2 SER 2 1HB SER 2 -15.979 6.577 -4.919 7 HB3 SER 2 2HB SER 2 -14.368 6.099 -5.456 8 HG SER 2 HG SER 2 -15.716 4.727 -3.386 9 H SER 3 H SER 3 -12.708 7.995 -1.997 10 HA SER 3 HA SER 3 -10.394 6.829 -3.286 11 HB2 SER 3 1HB SER 3 -10.461 9.216 -2.517 12 HB3 SER 3 2HB SER 3 -10.480 8.628 -0.854 13 HG SER 3 HG SER 3 -8.422 8.188 -0.990 14 H GLY 4 H GLY 4 -11.913 4.828 -2.188 15 HA2 GLY 4 1HA GLY 4 -11.272 2.849 -1.098 16 HA3 GLY 4 2HA GLY 4 -10.042 3.753 -0.227 17 H SER 5 H SER 5 -12.034 1.845 0.772 18 HA SER 5 HA SER 5 -13.831 3.515 2.349 19 HB2 SER 5 1HB SER 5 -14.842 1.407 3.075 20 HB3 SER 5 2HB SER 5 -14.712 1.449 1.317 21 HG SER 5 HG SER 5 -12.932 0.096 1.444 22 H SER 6 H SER 6 -11.339 1.033 2.905 23 HA SER 6 HA SER 6 -11.211 1.728 5.723 24 HB2 SER 6 1HB SER 6 -9.704 -0.323 4.084 25 HB3 SER 6 2HB SER 6 -9.512 -0.104 5.823 26 HG SER 6 HG SER 6 -11.998 -0.360 5.676 27 H GLY 7 H GLY 7 -10.137 3.532 6.219 28 HA2 GLY 7 1HA GLY 7 -8.457 5.090 6.345 29 HA3 GLY 7 2HA GLY 7 -7.372 3.776 5.912 30 H ASP 8 H ASP 8 -6.162 5.452 4.790 31 HA ASP 8 HA ASP 8 -7.387 6.498 2.358 32 HB2 ASP 8 1HB ASP 8 -6.070 8.068 3.646 33 HB3 ASP 8 2HB ASP 8 -4.682 6.984 3.618 34 H VAL 9 H VAL 9 -6.574 3.607 2.881 35 HA VAL 9 HA VAL 9 -4.403 3.062 1.103 36 HB VAL 9 HB VAL 9 -6.532 1.168 2.109 37 HG11 VAL 9 1HG1 VAL 9 -4.080 -0.139 1.714 38 HG12 VAL 9 2HG1 VAL 9 -5.566 -0.326 0.780 39 HG13 VAL 9 3HG1 VAL 9 -4.348 0.846 0.277 40 HG21 VAL 9 1HG2 VAL 9 -5.326 2.296 3.934 41 HG22 VAL 9 2HG2 VAL 9 -4.961 0.572 3.861 42 HG23 VAL 9 3HG2 VAL 9 -3.798 1.747 3.247 43 H ILE 10 H ILE 10 -4.452 3.066 -1.037 44 HA ILE 10 HA ILE 10 -7.030 3.052 -2.412 45 HB ILE 10 HB ILE 10 -4.254 3.665 -3.427 46 HG12 ILE 10 1HG1 ILE 10 -6.561 5.580 -3.286 47 HG13 ILE 10 2HG1 ILE 10 -5.574 5.279 -1.860 48 HG21 ILE 10 1HG2 ILE 10 -6.850 4.002 -4.912 49 HG22 ILE 10 2HG2 ILE 10 -5.214 4.227 -5.529 50 HG23 ILE 10 3HG2 ILE 10 -5.785 2.611 -5.114 51 HD11 ILE 10 1HD1 ILE 10 -4.083 6.733 -2.585 52 HD12 ILE 10 2HD1 ILE 10 -3.842 5.780 -4.049 53 HD13 ILE 10 3HD1 ILE 10 -5.076 7.038 -4.010 54 H GLU 11 H GLU 11 -7.709 1.455 -3.731 55 HA GLU 11 HA GLU 11 -6.184 -1.017 -3.731 56 HB2 GLU 11 1HB GLU 11 -9.001 -0.248 -4.267 57 HB3 GLU 11 2HB GLU 11 -8.390 -1.663 -5.113 58 HG2 GLU 11 1HG GLU 11 -8.183 -2.891 -3.207 59 HG3 GLU 11 2HG GLU 11 -7.916 -1.476 -2.191 60 H LEU 12 H LEU 12 -5.288 -1.983 -5.488 61 HA LEU 12 HA LEU 12 -5.459 -0.527 -8.045 62 HB2 LEU 12 1HB LEU 12 -3.074 -1.935 -6.855 63 HB3 LEU 12 2HB LEU 12 -3.135 -1.241 -8.474 64 HG LEU 12 HG LEU 12 -3.471 0.377 -5.954 65 HD11 LEU 12 1HD1 LEU 12 -1.049 1.073 -6.988 66 HD12 LEU 12 2HD1 LEU 12 -1.065 -0.671 -7.249 67 HD13 LEU 12 3HD1 LEU 12 -1.293 -0.021 -5.626 68 HD21 LEU 12 1HD2 LEU 12 -2.453 1.732 -8.283 69 HD22 LEU 12 2HD2 LEU 12 -3.868 2.101 -7.298 70 HD23 LEU 12 3HD2 LEU 12 -3.997 0.954 -8.633 71 H THR 13 H THR 13 -5.031 -1.851 -9.963 72 HA THR 13 HA THR 13 -5.860 -4.653 -9.565 73 HB THR 13 HB THR 13 -6.430 -3.260 -12.144 74 HG1 THR 13 1HG THR 13 -8.584 -2.839 -10.957 75 HG21 THR 13 1HG2 THR 13 -7.097 -5.446 -12.308 76 HG22 THR 13 2HG2 THR 13 -8.578 -4.732 -11.668 77 HG23 THR 13 3HG2 THR 13 -7.467 -5.577 -10.589 78 H ASP 14 H ASP 14 -5.333 -6.011 -11.582 79 HA ASP 14 HA ASP 14 -2.560 -6.148 -11.881 80 HB2 ASP 14 1HB ASP 14 -3.203 -7.625 -13.925 81 HB3 ASP 14 2HB ASP 14 -3.663 -8.153 -12.309 82 H ASP 15 H ASP 15 -4.825 -4.124 -13.415 83 HA ASP 15 HA ASP 15 -2.840 -3.404 -15.473 84 HB2 ASP 15 1HB ASP 15 -5.853 -3.142 -15.581 85 HB3 ASP 15 2HB ASP 15 -4.743 -2.562 -16.820 86 H SER 16 H SER 16 -5.258 -2.181 -13.205 87 HA SER 16 HA SER 16 -4.785 0.567 -13.687 88 HB2 SER 16 1HB SER 16 -6.725 -0.686 -12.389 89 HB3 SER 16 2HB SER 16 -5.688 -0.375 -10.997 90 HG SER 16 HG SER 16 -7.231 1.309 -11.431 91 H PHE 17 H PHE 17 -3.083 -1.825 -11.893 92 HA PHE 17 HA PHE 17 -1.810 -0.363 -9.924 93 HB2 PHE 17 1HB PHE 17 -1.430 -2.674 -9.874 94 HB3 PHE 17 2HB PHE 17 -0.952 -2.727 -11.567 95 HD1 PHE 17 2HD PHE 17 1.210 -1.306 -12.126 96 HD2 PHE 17 1HD PHE 17 0.209 -2.825 -8.278 97 HE1 PHE 17 2HE PHE 17 3.575 -1.174 -11.463 98 HE2 PHE 17 1HE PHE 17 2.573 -2.695 -7.608 99 HZ PHE 17 HZ PHE 17 4.260 -1.870 -9.201 100 H ASP 18 H ASP 18 -1.029 -0.623 -13.353 101 HA ASP 18 HA ASP 18 1.319 1.051 -13.079 102 HB2 ASP 18 1HB ASP 18 1.048 0.887 -15.727 103 HB3 ASP 18 2HB ASP 18 1.736 -0.426 -14.776 104 H LYS 19 H LYS 19 -1.976 1.317 -14.301 105 HA LYS 19 HA LYS 19 -1.700 3.905 -15.421 106 HB2 LYS 19 1HB LYS 19 -4.228 2.645 -14.352 107 HB3 LYS 19 2HB LYS 19 -4.107 3.928 -15.549 108 HG2 LYS 19 1HG LYS 19 -3.016 2.362 -17.094 109 HG3 LYS 19 2HG LYS 19 -3.199 1.077 -15.897 110 HD2 LYS 19 1HD LYS 19 -5.505 1.004 -16.141 111 HD3 LYS 19 2HD LYS 19 -5.585 2.636 -16.810 112 HE2 LYS 19 1HE LYS 19 -5.893 1.424 -18.719 113 HE3 LYS 19 2HE LYS 19 -4.134 1.537 -18.725 114 HZ1 LYS 19 1HZ LYS 19 -3.909 -0.645 -18.041 115 HZ2 LYS 19 2HZ LYS 19 -5.226 -0.739 -19.097 116 HZ3 LYS 19 3HZ LYS 19 -5.482 -0.741 -17.425 117 H ASN 20 H ASN 20 -1.915 2.797 -12.204 118 HA ASN 20 HA ASN 20 -2.703 5.461 -11.241 119 HB2 ASN 20 1HB ASN 20 -2.816 2.721 -10.009 120 HB3 ASN 20 2HB ASN 20 -2.846 4.160 -8.994 121 HD21 ASN 20 1HD2 ASN 20 -4.429 2.720 -11.812 122 HD22 ASN 20 2HD2 ASN 20 -6.005 3.332 -11.456 123 H VAL 21 H VAL 21 -0.109 3.172 -11.361 124 HA VAL 21 HA VAL 21 1.473 4.709 -9.433 125 HB VAL 21 HB VAL 21 2.070 2.080 -10.797 126 HG11 VAL 21 1HG1 VAL 21 3.653 2.761 -8.456 127 HG12 VAL 21 2HG1 VAL 21 4.166 2.160 -10.034 128 HG13 VAL 21 3HG1 VAL 21 3.896 3.887 -9.791 129 HG21 VAL 21 1HG2 VAL 21 0.309 2.492 -8.796 130 HG22 VAL 21 2HG2 VAL 21 1.241 1.008 -8.993 131 HG23 VAL 21 3HG2 VAL 21 1.790 2.251 -7.869 132 H LEU 22 H LEU 22 2.141 3.170 -12.584 133 HA LEU 22 HA LEU 22 4.360 4.767 -13.195 134 HB2 LEU 22 1HB LEU 22 2.506 3.483 -15.189 135 HB3 LEU 22 2HB LEU 22 4.204 3.895 -15.417 136 HG LEU 22 HG LEU 22 3.131 1.741 -13.596 137 HD11 LEU 22 1HD1 LEU 22 4.895 1.225 -15.933 138 HD12 LEU 22 2HD1 LEU 22 3.182 1.529 -16.222 139 HD13 LEU 22 3HD1 LEU 22 3.677 0.193 -15.182 140 HD21 LEU 22 1HD2 LEU 22 6.003 2.280 -14.305 141 HD22 LEU 22 2HD2 LEU 22 5.363 1.200 -13.066 142 HD23 LEU 22 3HD2 LEU 22 5.238 2.948 -12.863 143 H ASP 23 H ASP 23 1.014 5.002 -14.403 144 HA ASP 23 HA ASP 23 1.304 7.275 -15.960 145 HB2 ASP 23 1HB ASP 23 -0.754 5.672 -15.506 146 HB3 ASP 23 2HB ASP 23 -1.200 6.940 -14.367 147 H SER 24 H SER 24 1.565 6.981 -12.594 148 HA SER 24 HA SER 24 1.181 9.879 -12.234 149 HB2 SER 24 1HB SER 24 -0.208 8.191 -10.857 150 HB3 SER 24 2HB SER 24 1.290 7.887 -9.978 151 HG SER 24 HG SER 24 -0.431 9.900 -9.677 152 H GLU 25 H GLU 25 2.858 11.111 -11.620 153 HA GLU 25 HA GLU 25 5.475 9.875 -11.476 154 HB2 GLU 25 1HB GLU 25 6.322 12.186 -11.492 155 HB3 GLU 25 2HB GLU 25 5.209 11.886 -12.820 156 HG2 GLU 25 1HG GLU 25 3.413 12.909 -11.348 157 HG3 GLU 25 2HG GLU 25 4.729 13.455 -10.310 158 H ASP 26 H ASP 26 3.518 9.519 -9.285 159 HA ASP 26 HA ASP 26 5.060 10.741 -7.091 160 HB2 ASP 26 1HB ASP 26 2.164 9.873 -7.161 161 HB3 ASP 26 2HB ASP 26 3.005 10.402 -5.706 162 H VAL 27 H VAL 27 5.319 9.443 -5.152 163 HA VAL 27 HA VAL 27 6.133 6.778 -5.768 164 HB VAL 27 HB VAL 27 5.949 8.204 -3.111 165 HG11 VAL 27 1HG1 VAL 27 7.138 5.537 -3.849 166 HG12 VAL 27 2HG1 VAL 27 7.539 6.404 -2.364 167 HG13 VAL 27 3HG1 VAL 27 5.882 5.871 -2.656 168 HG21 VAL 27 1HG2 VAL 27 8.056 7.950 -5.202 169 HG22 VAL 27 2HG2 VAL 27 7.599 9.346 -4.225 170 HG23 VAL 27 3HG2 VAL 27 8.543 8.040 -3.509 171 H TRP 28 H TRP 28 5.023 4.943 -5.613 172 HA TRP 28 HA TRP 28 2.473 4.982 -4.137 173 HB2 TRP 28 1HB TRP 28 3.241 3.734 -6.749 174 HB3 TRP 28 2HB TRP 28 1.973 2.994 -5.777 175 HD1 TRP 28 HD TRP 28 2.749 6.230 -7.703 176 HE1 TRP 28 1HE TRP 28 0.525 7.417 -8.224 177 HE3 TRP 28 3HE TRP 28 -0.418 3.220 -5.048 178 HZ2 TRP 28 2HZ TRP 28 -2.210 7.117 -7.593 179 HZ3 TRP 28 3HZ TRP 28 -2.823 3.740 -5.058 180 HH2 TRP 28 HH TRP 28 -3.698 5.648 -6.305 181 H MET 29 H MET 29 2.620 3.877 -2.304 182 HA MET 29 HA MET 29 4.577 1.749 -2.017 183 HB2 MET 29 1HB MET 29 2.893 3.364 -0.172 184 HB3 MET 29 2HB MET 29 3.368 1.758 0.366 185 HG2 MET 29 1HG MET 29 5.726 2.359 -0.033 186 HG3 MET 29 2HG MET 29 5.209 3.986 -0.467 187 HE1 MET 29 1HE MET 29 7.135 3.096 2.853 188 HE2 MET 29 2HE MET 29 5.911 1.905 3.296 189 HE3 MET 29 3HE MET 29 6.645 1.862 1.692 190 H VAL 30 H VAL 30 3.902 -0.063 -3.047 191 HA VAL 30 HA VAL 30 1.157 -0.988 -2.703 192 HB VAL 30 HB VAL 30 3.422 -2.070 -4.382 193 HG11 VAL 30 1HG1 VAL 30 1.391 -3.354 -5.414 194 HG12 VAL 30 2HG1 VAL 30 2.211 -3.987 -3.986 195 HG13 VAL 30 3HG1 VAL 30 0.686 -3.117 -3.815 196 HG21 VAL 30 1HG2 VAL 30 2.573 -0.002 -5.256 197 HG22 VAL 30 2HG2 VAL 30 1.970 -1.320 -6.260 198 HG23 VAL 30 3HG2 VAL 30 0.908 -0.557 -5.077 199 H GLU 31 H GLU 31 0.615 -2.358 -1.148 200 HA GLU 31 HA GLU 31 2.692 -4.141 -0.056 201 HB2 GLU 31 1HB GLU 31 2.081 -2.361 1.536 202 HB3 GLU 31 2HB GLU 31 0.399 -2.862 1.443 203 HG2 GLU 31 1HG GLU 31 0.922 -4.985 2.441 204 HG3 GLU 31 2HG GLU 31 2.645 -4.612 2.416 205 H PHE 32 H PHE 32 2.220 -6.018 -1.073 206 HA PHE 32 HA PHE 32 -0.448 -6.903 -1.572 207 HB2 PHE 32 1HB PHE 32 2.078 -8.562 -1.613 208 HB3 PHE 32 2HB PHE 32 0.562 -8.913 -2.436 209 HD1 PHE 32 2HD PHE 32 3.466 -6.636 -2.368 210 HD2 PHE 32 1HD PHE 32 0.084 -8.009 -4.558 211 HE1 PHE 32 2HE PHE 32 4.280 -5.449 -4.363 212 HE2 PHE 32 1HE PHE 32 0.894 -6.825 -6.557 213 HZ PHE 32 HZ PHE 32 2.993 -5.541 -6.461 214 H TYR 33 H TYR 33 -1.771 -8.066 -0.327 215 HA TYR 33 HA TYR 33 -0.662 -9.504 1.978 216 HB2 TYR 33 1HB TYR 33 -2.304 -8.623 3.476 217 HB3 TYR 33 2HB TYR 33 -1.552 -7.251 2.670 218 HD1 TYR 33 1HD TYR 33 -4.566 -9.420 2.638 219 HD2 TYR 33 2HD TYR 33 -2.853 -5.704 1.471 220 HE1 TYR 33 1HE TYR 33 -6.786 -8.622 1.942 221 HE2 TYR 33 2HE TYR 33 -5.069 -4.896 0.773 222 HH TYR 33 HH TYR 33 -7.287 -6.056 -0.013 223 H ALA 34 H ALA 34 -2.580 -10.794 3.049 224 HA ALA 34 HA ALA 34 -4.160 -12.022 0.884 225 HB1 ALA 34 1HB ALA 34 -2.564 -13.649 1.310 226 HB2 ALA 34 2HB ALA 34 -2.537 -13.313 3.042 227 HB3 ALA 34 3HB ALA 34 -3.914 -14.151 2.329 228 HA PRO 35 HA PRO 35 -7.617 -11.034 3.465 229 HB2 PRO 35 1HB PRO 35 -9.471 -12.501 2.130 230 HB3 PRO 35 2HB PRO 35 -8.840 -10.967 1.521 231 HG2 PRO 35 1HG PRO 35 -8.064 -13.762 0.781 232 HG3 PRO 35 2HG PRO 35 -8.324 -12.358 -0.270 233 HD2 PRO 35 1HD PRO 35 -5.854 -13.193 0.461 234 HD3 PRO 35 2HD PRO 35 -6.236 -11.484 0.169 235 H TRP 36 H TRP 36 -6.157 -14.068 3.155 236 HA TRP 36 HA TRP 36 -7.836 -15.151 5.321 237 HB2 TRP 36 1HB TRP 36 -6.910 -17.420 4.364 238 HB3 TRP 36 2HB TRP 36 -8.304 -16.641 3.620 239 HD1 TRP 36 HD TRP 36 -8.159 -16.363 1.081 240 HE1 TRP 36 1HE TRP 36 -6.276 -16.396 -0.673 241 HE3 TRP 36 3HE TRP 36 -4.139 -16.766 4.213 242 HZ2 TRP 36 2HZ TRP 36 -3.459 -16.570 -0.723 243 HZ3 TRP 36 3HZ TRP 36 -1.884 -16.860 3.232 244 HH2 TRP 36 HH TRP 36 -1.553 -16.765 0.815 245 H CYS 37 H CYS 37 -5.271 -13.546 5.261 246 HA CYS 37 HA CYS 37 -3.624 -15.436 6.811 247 HB2 CYS 37 1HB CYS 37 -2.665 -14.543 4.607 248 HB3 CYS 37 2HB CYS 37 -2.547 -12.988 5.422 249 HG CYS 37 HG CYS 37 -0.936 -15.863 6.343 250 H GLY 38 H GLY 38 -3.306 -14.953 8.887 251 HA2 GLY 38 1HA GLY 38 -4.602 -12.806 10.146 252 HA3 GLY 38 2HA GLY 38 -3.364 -13.816 10.879 253 H HIS 39 H HIS 39 -1.101 -13.281 9.645 254 HA HIS 39 HA HIS 39 -0.009 -11.093 10.712 255 HB2 HIS 39 1HB HIS 39 0.951 -12.899 9.017 256 HB3 HIS 39 2HB HIS 39 0.761 -11.576 7.871 257 HD1 HIS 39 1HD HIS 39 2.359 -9.582 8.089 258 HD2 HIS 39 2HD HIS 39 2.935 -12.509 10.980 259 HE1 HIS 39 1HE HIS 39 4.544 -9.012 9.197 260 HE2 HIS 39 2HE HIS 39 4.913 -10.845 10.884 261 H CYS 40 H CYS 40 -1.893 -11.111 7.729 262 HA CYS 40 HA CYS 40 -1.481 -8.327 7.192 263 HB2 CYS 40 1HB CYS 40 -1.965 -9.459 5.242 264 HB3 CYS 40 2HB CYS 40 -3.143 -10.510 6.019 265 HG CYS 40 HG CYS 40 -3.583 -7.343 4.852 266 H LYS 41 H LYS 41 -4.304 -10.218 8.270 267 HA LYS 41 HA LYS 41 -6.159 -8.271 8.639 268 HB2 LYS 41 1HB LYS 41 -5.542 -10.629 10.419 269 HB3 LYS 41 2HB LYS 41 -6.972 -9.625 10.617 270 HG2 LYS 41 1HG LYS 41 -7.816 -10.270 8.488 271 HG3 LYS 41 2HG LYS 41 -6.302 -11.073 8.067 272 HD2 LYS 41 1HD LYS 41 -7.780 -12.803 8.680 273 HD3 LYS 41 2HD LYS 41 -6.719 -12.579 10.073 274 HE2 LYS 41 1HE LYS 41 -8.640 -10.896 10.787 275 HE3 LYS 41 2HE LYS 41 -9.605 -11.947 9.751 276 HZ1 LYS 41 1HZ LYS 41 -7.864 -13.090 11.838 277 HZ2 LYS 41 2HZ LYS 41 -9.233 -13.765 11.109 278 HZ3 LYS 41 3HZ LYS 41 -9.404 -12.510 12.231 279 H ASN 42 H ASN 42 -3.514 -9.067 10.859 280 HA ASN 42 HA ASN 42 -4.255 -7.113 12.804 281 HB2 ASN 42 1HB ASN 42 -2.433 -7.844 14.024 282 HB3 ASN 42 2HB ASN 42 -2.750 -9.260 13.026 283 HD21 ASN 42 1HD2 ASN 42 -0.886 -6.247 13.007 284 HD22 ASN 42 2HD2 ASN 42 0.509 -6.914 12.237 285 H LEU 43 H LEU 43 -2.379 -7.083 9.896 286 HA LEU 43 HA LEU 43 -1.096 -4.556 10.525 287 HB2 LEU 43 1HB LEU 43 0.358 -5.812 9.290 288 HB3 LEU 43 2HB LEU 43 -0.925 -6.557 8.338 289 HG LEU 43 HG LEU 43 -1.162 -4.288 7.192 290 HD11 LEU 43 1HD1 LEU 43 1.030 -3.011 7.207 291 HD12 LEU 43 2HD1 LEU 43 1.416 -3.893 8.684 292 HD13 LEU 43 3HD1 LEU 43 0.003 -2.838 8.630 293 HD21 LEU 43 1HD2 LEU 43 1.458 -5.720 6.791 294 HD22 LEU 43 2HD2 LEU 43 0.528 -4.818 5.594 295 HD23 LEU 43 3HD2 LEU 43 -0.096 -6.340 6.233 296 H GLU 44 H GLU 44 -3.965 -5.676 9.040 297 HA GLU 44 HA GLU 44 -4.618 -3.976 7.058 298 HB2 GLU 44 1HB GLU 44 -6.383 -5.340 7.535 299 HB3 GLU 44 2HB GLU 44 -6.177 -5.179 9.274 300 HG2 GLU 44 1HG GLU 44 -8.252 -4.181 8.659 301 HG3 GLU 44 2HG GLU 44 -7.135 -2.901 9.129 302 HA PRO 45 HA PRO 45 -5.832 -0.422 10.102 303 HB2 PRO 45 1HB PRO 45 -5.074 -0.696 12.694 304 HB3 PRO 45 2HB PRO 45 -6.625 -1.280 12.080 305 HG2 PRO 45 1HG PRO 45 -4.095 -2.799 12.588 306 HG3 PRO 45 2HG PRO 45 -5.768 -3.255 12.961 307 HD2 PRO 45 1HD PRO 45 -4.443 -4.214 10.803 308 HD3 PRO 45 2HD PRO 45 -6.196 -3.937 10.801 309 H GLU 46 H GLU 46 -2.832 -2.094 11.022 310 HA GLU 46 HA GLU 46 -1.306 0.151 11.664 311 HB2 GLU 46 1HB GLU 46 -0.540 -2.556 10.586 312 HB3 GLU 46 2HB GLU 46 0.660 -1.339 10.996 313 HG2 GLU 46 1HG GLU 46 -0.045 -3.178 12.718 314 HG3 GLU 46 2HG GLU 46 0.300 -1.530 13.237 315 H TRP 47 H TRP 47 -2.145 -1.233 8.571 316 HA TRP 47 HA TRP 47 -0.244 0.377 7.108 317 HB2 TRP 47 1HB TRP 47 -0.950 -1.899 6.354 318 HB3 TRP 47 2HB TRP 47 -2.560 -1.253 6.045 319 HD1 TRP 47 HD TRP 47 -2.964 -0.202 3.724 320 HE1 TRP 47 1HE TRP 47 -1.478 0.369 1.701 321 HE3 TRP 47 3HE TRP 47 1.620 -1.073 5.813 322 HZ2 TRP 47 2HZ TRP 47 1.273 0.439 1.074 323 HZ3 TRP 47 3HZ TRP 47 3.629 -0.731 4.434 324 HH2 TRP 47 HH TRP 47 3.457 0.009 2.113 325 H ALA 48 H ALA 48 -3.687 0.428 7.835 326 HA ALA 48 HA ALA 48 -4.468 2.453 6.063 327 HB1 ALA 48 1HB ALA 48 -6.213 2.848 8.028 328 HB2 ALA 48 2HB ALA 48 -6.298 1.446 6.961 329 HB3 ALA 48 3HB ALA 48 -5.570 1.293 8.559 330 H ALA 49 H ALA 49 -3.665 2.724 9.532 331 HA ALA 49 HA ALA 49 -3.827 5.473 9.772 332 HB1 ALA 49 1HB ALA 49 -3.399 3.642 11.554 333 HB2 ALA 49 2HB ALA 49 -1.696 3.958 11.222 334 HB3 ALA 49 3HB ALA 49 -2.737 5.258 11.801 335 H ALA 50 H ALA 50 -0.961 3.525 8.956 336 HA ALA 50 HA ALA 50 0.909 5.543 8.727 337 HB1 ALA 50 1HB ALA 50 0.857 2.837 8.213 338 HB2 ALA 50 2HB ALA 50 1.202 3.545 6.635 339 HB3 ALA 50 3HB ALA 50 2.245 3.907 8.010 340 H ALA 51 H ALA 51 -1.397 4.391 6.295 341 HA ALA 51 HA ALA 51 -0.533 5.853 4.105 342 HB1 ALA 51 1HB ALA 51 -3.440 5.390 4.710 343 HB2 ALA 51 2HB ALA 51 -2.641 5.459 3.138 344 HB3 ALA 51 3HB ALA 51 -2.359 4.088 4.211 345 H SER 52 H SER 52 -2.828 6.813 6.644 346 HA SER 52 HA SER 52 -3.295 9.405 5.561 347 HB2 SER 52 1HB SER 52 -3.936 8.031 8.142 348 HB3 SER 52 2HB SER 52 -4.110 9.783 8.041 349 HG SER 52 HG SER 52 -5.272 8.004 6.168 350 H GLU 53 H GLU 53 -1.148 8.127 8.059 351 HA GLU 53 HA GLU 53 -0.165 10.643 8.925 352 HB2 GLU 53 1HB GLU 53 0.064 8.739 10.370 353 HB3 GLU 53 2HB GLU 53 0.965 7.852 9.148 354 HG2 GLU 53 1HG GLU 53 2.596 8.554 10.635 355 HG3 GLU 53 2HG GLU 53 2.690 9.734 9.328 356 H VAL 54 H VAL 54 0.612 8.550 6.273 357 HA VAL 54 HA VAL 54 3.159 9.806 5.726 358 HB VAL 54 HB VAL 54 1.533 7.773 4.203 359 HG11 VAL 54 1HG1 VAL 54 4.226 8.934 3.500 360 HG12 VAL 54 2HG1 VAL 54 3.470 7.552 2.705 361 HG13 VAL 54 3HG1 VAL 54 2.726 9.148 2.598 362 HG21 VAL 54 1HG2 VAL 54 3.297 7.564 6.371 363 HG22 VAL 54 2HG2 VAL 54 2.634 6.253 5.395 364 HG23 VAL 54 3HG2 VAL 54 4.184 6.976 4.965 365 H LYS 55 H LYS 55 -0.130 9.905 4.458 366 HA LYS 55 HA LYS 55 0.508 11.633 2.268 367 HB2 LYS 55 1HB LYS 55 -1.715 11.490 1.692 368 HB3 LYS 55 2HB LYS 55 -1.534 10.015 2.633 369 HG2 LYS 55 1HG LYS 55 -2.545 11.036 4.547 370 HG3 LYS 55 2HG LYS 55 -2.565 12.612 3.752 371 HD2 LYS 55 1HD LYS 55 -4.108 11.733 2.062 372 HD3 LYS 55 2HD LYS 55 -4.090 10.161 2.866 373 HE2 LYS 55 1HE LYS 55 -5.273 10.949 4.703 374 HE3 LYS 55 2HE LYS 55 -4.846 12.629 4.382 375 HZ1 LYS 55 1HZ LYS 55 -7.216 11.767 3.843 376 HZ2 LYS 55 2HZ LYS 55 -6.493 11.164 2.438 377 HZ3 LYS 55 3HZ LYS 55 -6.446 12.823 2.769 378 H GLU 56 H GLU 56 -0.155 12.080 5.610 379 HA GLU 56 HA GLU 56 -0.926 14.860 5.324 380 HB2 GLU 56 1HB GLU 56 -1.394 14.846 7.601 381 HB3 GLU 56 2HB GLU 56 -1.744 13.190 7.128 382 HG2 GLU 56 1HG GLU 56 0.318 12.415 8.036 383 HG3 GLU 56 2HG GLU 56 0.875 14.064 8.317 384 H GLN 57 H GLN 57 1.933 12.999 5.896 385 HA GLN 57 HA GLN 57 3.441 15.345 6.761 386 HB2 GLN 57 1HB GLN 57 4.148 12.420 6.553 387 HB3 GLN 57 2HB GLN 57 5.331 13.661 6.942 388 HG2 GLN 57 1HG GLN 57 3.958 14.293 8.900 389 HG3 GLN 57 2HG GLN 57 2.879 12.948 8.532 390 HE21 GLN 57 1HE2 GLN 57 4.290 10.854 8.073 391 HE22 GLN 57 2HE2 GLN 57 5.405 10.484 9.339 392 H THR 58 H THR 58 3.360 12.981 4.126 393 HA THR 58 HA THR 58 5.469 14.332 2.681 394 HB THR 58 HB THR 58 5.218 12.638 0.996 395 HG1 THR 58 1HG THR 58 2.726 12.245 2.247 396 HG21 THR 58 1HG2 THR 58 4.743 11.217 3.608 397 HG22 THR 58 2HG2 THR 58 6.256 12.045 3.241 398 HG23 THR 58 3HG2 THR 58 5.726 10.693 2.241 399 H LYS 59 H LYS 59 2.814 15.642 3.303 400 HA LYS 59 HA LYS 59 1.269 16.986 2.299 401 HB2 LYS 59 1HB LYS 59 3.471 17.176 0.236 402 HB3 LYS 59 2HB LYS 59 2.102 18.273 0.355 403 HG2 LYS 59 1HG LYS 59 4.001 17.864 2.640 404 HG3 LYS 59 2HG LYS 59 4.316 19.033 1.356 405 HD2 LYS 59 1HD LYS 59 2.169 20.125 1.845 406 HD3 LYS 59 2HD LYS 59 1.888 18.969 3.149 407 HE2 LYS 59 1HE LYS 59 4.350 20.683 3.066 408 HE3 LYS 59 2HE LYS 59 2.841 21.272 3.759 409 HZ1 LYS 59 1HZ LYS 59 2.957 19.809 5.493 410 HZ2 LYS 59 2HZ LYS 59 4.605 20.091 5.242 411 HZ3 LYS 59 3HZ LYS 59 3.889 18.679 4.646 412 H GLY 60 H GLY 60 1.160 14.123 1.667 413 HA2 GLY 60 1HA GLY 60 -0.292 12.831 0.417 414 HA3 GLY 60 2HA GLY 60 -0.769 14.283 -0.451 415 H LYS 61 H LYS 61 2.588 13.472 -0.266 416 HA LYS 61 HA LYS 61 2.703 13.187 -3.137 417 HB2 LYS 61 1HB LYS 61 4.501 14.419 -2.314 418 HB3 LYS 61 2HB LYS 61 4.730 13.353 -0.934 419 HG2 LYS 61 1HG LYS 61 6.531 13.160 -2.588 420 HG3 LYS 61 2HG LYS 61 5.661 11.641 -2.358 421 HD2 LYS 61 1HD LYS 61 5.749 11.699 -4.643 422 HD3 LYS 61 2HD LYS 61 4.232 12.563 -4.381 423 HE2 LYS 61 1HE LYS 61 5.398 14.692 -4.569 424 HE3 LYS 61 2HE LYS 61 6.934 13.850 -4.773 425 HZ1 LYS 61 1HZ LYS 61 5.072 14.547 -6.738 426 HZ2 LYS 61 2HZ LYS 61 5.121 12.858 -6.663 427 HZ3 LYS 61 3HZ LYS 61 6.543 13.734 -6.934 428 H VAL 62 H VAL 62 3.916 11.186 -0.439 429 HA VAL 62 HA VAL 62 4.065 8.865 -2.158 430 HB VAL 62 HB VAL 62 4.496 8.972 0.827 431 HG11 VAL 62 1HG1 VAL 62 4.460 6.850 -1.033 432 HG12 VAL 62 2HG1 VAL 62 6.144 7.106 -0.571 433 HG13 VAL 62 3HG1 VAL 62 4.925 6.800 0.667 434 HG21 VAL 62 1HG2 VAL 62 6.172 10.383 0.307 435 HG22 VAL 62 2HG2 VAL 62 6.989 8.914 -0.225 436 HG23 VAL 62 3HG2 VAL 62 6.160 9.936 -1.399 437 H LYS 63 H LYS 63 2.173 7.955 -2.686 438 HA LYS 63 HA LYS 63 0.004 7.809 -0.759 439 HB2 LYS 63 1HB LYS 63 0.164 6.828 -3.615 440 HB3 LYS 63 2HB LYS 63 -1.288 6.851 -2.624 441 HG2 LYS 63 1HG LYS 63 -1.305 9.236 -2.573 442 HG3 LYS 63 2HG LYS 63 0.281 9.314 -3.345 443 HD2 LYS 63 1HD LYS 63 -0.549 8.770 -5.415 444 HD3 LYS 63 2HD LYS 63 -1.923 7.883 -4.750 445 HE2 LYS 63 1HE LYS 63 -2.844 9.834 -5.680 446 HE3 LYS 63 2HE LYS 63 -2.785 10.137 -3.944 447 HZ1 LYS 63 1HZ LYS 63 -1.639 11.962 -4.388 448 HZ2 LYS 63 2HZ LYS 63 -1.564 11.589 -6.036 449 HZ3 LYS 63 3HZ LYS 63 -0.371 11.012 -4.984 450 H LEU 64 H LEU 64 -1.055 5.810 -0.222 451 HA LEU 64 HA LEU 64 0.728 3.469 -0.366 452 HB2 LEU 64 1HB LEU 64 -0.713 4.688 1.921 453 HB3 LEU 64 2HB LEU 64 -0.629 2.929 1.860 454 HG LEU 64 HG LEU 64 1.891 3.205 1.669 455 HD11 LEU 64 1HD1 LEU 64 2.756 5.237 1.515 456 HD12 LEU 64 2HD1 LEU 64 2.033 5.675 3.062 457 HD13 LEU 64 3HD1 LEU 64 1.137 5.934 1.566 458 HD21 LEU 64 1HD2 LEU 64 0.627 4.202 4.217 459 HD22 LEU 64 2HD2 LEU 64 2.167 3.359 4.043 460 HD23 LEU 64 3HD2 LEU 64 0.654 2.511 3.717 461 H ALA 65 H ALA 65 -0.129 1.802 -1.402 462 HA ALA 65 HA ALA 65 -3.052 1.451 -1.349 463 HB1 ALA 65 1HB ALA 65 -2.830 2.193 -3.508 464 HB2 ALA 65 2HB ALA 65 -1.214 1.509 -3.694 465 HB3 ALA 65 3HB ALA 65 -2.628 0.455 -3.736 466 H ALA 66 H ALA 66 -3.695 -0.805 -2.014 467 HA ALA 66 HA ALA 66 -1.691 -2.781 -1.148 468 HB1 ALA 66 1HB ALA 66 -4.608 -2.930 -0.422 469 HB2 ALA 66 2HB ALA 66 -3.289 -3.937 0.176 470 HB3 ALA 66 3HB ALA 66 -3.378 -2.236 0.634 471 H VAL 67 H VAL 67 -2.330 -5.046 -1.766 472 HA VAL 67 HA VAL 67 -4.081 -5.265 -4.074 473 HB VAL 67 HB VAL 67 -1.140 -5.927 -4.283 474 HG11 VAL 67 1HG1 VAL 67 -3.492 -6.523 -6.032 475 HG12 VAL 67 2HG1 VAL 67 -1.887 -6.314 -6.736 476 HG13 VAL 67 3HG1 VAL 67 -2.168 -7.579 -5.539 477 HG21 VAL 67 1HG2 VAL 67 -1.270 -3.624 -4.590 478 HG22 VAL 67 2HG2 VAL 67 -1.373 -4.253 -6.234 479 HG23 VAL 67 3HG2 VAL 67 -2.833 -3.721 -5.400 480 H ASP 68 H ASP 68 -4.937 -7.272 -4.305 481 HA ASP 68 HA ASP 68 -4.334 -9.198 -2.212 482 HB2 ASP 68 1HB ASP 68 -6.449 -9.381 -4.363 483 HB3 ASP 68 2HB ASP 68 -6.367 -10.308 -2.868 484 H ALA 69 H ALA 69 -2.544 -10.355 -2.657 485 HA ALA 69 HA ALA 69 -1.629 -11.097 -5.196 486 HB1 ALA 69 1HB ALA 69 -0.781 -13.046 -3.315 487 HB2 ALA 69 2HB ALA 69 0.127 -11.687 -3.978 488 HB3 ALA 69 3HB ALA 69 -0.819 -11.480 -2.504 489 H THR 70 H THR 70 -4.313 -12.203 -3.518 490 HA THR 70 HA THR 70 -4.265 -14.913 -4.538 491 HB THR 70 HB THR 70 -6.457 -15.161 -3.484 492 HG1 THR 70 1HG THR 70 -7.580 -13.358 -3.432 493 HG21 THR 70 1HG2 THR 70 -4.645 -15.554 -2.009 494 HG22 THR 70 2HG2 THR 70 -5.778 -14.536 -1.120 495 HG23 THR 70 3HG2 THR 70 -4.324 -13.830 -1.826 496 H VAL 71 H VAL 71 -5.191 -11.867 -5.681 497 HA VAL 71 HA VAL 71 -6.852 -13.112 -7.775 498 HB VAL 71 HB VAL 71 -7.144 -10.381 -6.526 499 HG11 VAL 71 1HG1 VAL 71 -9.049 -10.123 -8.147 500 HG12 VAL 71 2HG1 VAL 71 -7.437 -10.046 -8.862 501 HG13 VAL 71 3HG1 VAL 71 -8.403 -11.515 -9.015 502 HG21 VAL 71 1HG2 VAL 71 -8.793 -12.881 -6.557 503 HG22 VAL 71 2HG2 VAL 71 -8.294 -11.894 -5.184 504 HG23 VAL 71 3HG2 VAL 71 -9.542 -11.308 -6.284 505 H ASN 72 H ASN 72 -4.307 -10.867 -6.975 506 HA ASN 72 HA ASN 72 -3.986 -10.022 -9.739 507 HB2 ASN 72 1HB ASN 72 -2.746 -9.236 -7.126 508 HB3 ASN 72 2HB ASN 72 -1.922 -8.837 -8.630 509 HD21 ASN 72 1HD2 ASN 72 -5.192 -8.705 -7.254 510 HD22 ASN 72 2HD2 ASN 72 -5.562 -7.127 -7.850 511 H GLN 73 H GLN 73 -3.106 -11.518 -11.030 512 HA GLN 73 HA GLN 73 -0.801 -13.050 -10.037 513 HB2 GLN 73 1HB GLN 73 -2.624 -13.605 -12.384 514 HB3 GLN 73 2HB GLN 73 -1.265 -14.609 -11.895 515 HG2 GLN 73 1HG GLN 73 -3.419 -14.014 -9.927 516 HG3 GLN 73 2HG GLN 73 -3.697 -15.219 -11.183 517 HE21 GLN 73 1HE2 GLN 73 -3.147 -15.160 -8.134 518 HE22 GLN 73 2HE2 GLN 73 -2.006 -16.440 -7.927 519 H VAL 74 H VAL 74 -1.904 -10.885 -12.554 520 HA VAL 74 HA VAL 74 0.243 -11.116 -14.338 521 HB VAL 74 HB VAL 74 -1.394 -8.646 -13.747 522 HG11 VAL 74 1HG1 VAL 74 0.845 -9.024 -15.423 523 HG12 VAL 74 2HG1 VAL 74 -0.570 -8.891 -16.468 524 HG13 VAL 74 3HG1 VAL 74 -0.205 -7.612 -15.309 525 HG21 VAL 74 1HG2 VAL 74 -2.499 -10.928 -14.463 526 HG22 VAL 74 2HG2 VAL 74 -3.028 -9.400 -15.166 527 HG23 VAL 74 3HG2 VAL 74 -1.924 -10.446 -16.059 528 H LEU 75 H LEU 75 -0.172 -9.138 -11.444 529 HA LEU 75 HA LEU 75 2.403 -7.857 -11.805 530 HB2 LEU 75 1HB LEU 75 0.571 -7.720 -9.421 531 HB3 LEU 75 2HB LEU 75 1.883 -6.615 -9.826 532 HG LEU 75 HG LEU 75 -0.678 -6.926 -11.392 533 HD11 LEU 75 1HD1 LEU 75 0.123 -4.544 -9.761 534 HD12 LEU 75 2HD1 LEU 75 -0.773 -5.884 -9.047 535 HD13 LEU 75 3HD1 LEU 75 -1.466 -4.977 -10.392 536 HD21 LEU 75 1HD2 LEU 75 1.043 -6.233 -12.868 537 HD22 LEU 75 2HD2 LEU 75 1.700 -5.103 -11.684 538 HD23 LEU 75 3HD2 LEU 75 0.137 -4.783 -12.436 539 H ALA 76 H ALA 76 0.921 -9.852 -9.243 540 HA ALA 76 HA ALA 76 3.058 -10.311 -7.631 541 HB1 ALA 76 1HB ALA 76 0.754 -12.033 -8.422 542 HB2 ALA 76 2HB ALA 76 2.025 -12.700 -7.395 543 HB3 ALA 76 3HB ALA 76 1.119 -11.282 -6.868 544 H SER 77 H SER 77 2.399 -11.859 -10.731 545 HA SER 77 HA SER 77 4.577 -13.703 -10.550 546 HB2 SER 77 1HB SER 77 2.704 -14.274 -11.956 547 HB3 SER 77 2HB SER 77 2.892 -12.791 -12.891 548 HG SER 77 HG SER 77 5.088 -14.498 -12.743 549 H ARG 78 H ARG 78 4.163 -10.451 -11.731 550 HA ARG 78 HA ARG 78 6.473 -10.292 -13.342 551 HB2 ARG 78 1HB ARG 78 4.583 -8.656 -13.355 552 HB3 ARG 78 2HB ARG 78 5.153 -8.051 -11.806 553 HG2 ARG 78 1HG ARG 78 7.343 -7.543 -12.934 554 HG3 ARG 78 2HG ARG 78 6.545 -7.910 -14.464 555 HD2 ARG 78 1HD ARG 78 4.791 -6.196 -13.762 556 HD3 ARG 78 2HD ARG 78 5.937 -5.704 -12.517 557 HE ARG 78 HE ARG 78 6.054 -5.073 -15.290 558 HH11 ARG 78 2HH1 ARG 78 8.021 -5.736 -12.495 559 HH12 ARG 78 1HH1 ARG 78 9.378 -4.826 -13.073 560 HH21 ARG 78 2HH2 ARG 78 7.833 -3.872 -16.061 561 HH22 ARG 78 1HH2 ARG 78 9.270 -3.766 -15.101 562 H TYR 79 H TYR 79 5.907 -9.455 -9.937 563 HA TYR 79 HA TYR 79 8.774 -9.005 -9.571 564 HB2 TYR 79 1HB TYR 79 6.560 -8.629 -7.549 565 HB3 TYR 79 2HB TYR 79 8.207 -8.016 -7.452 566 HD1 TYR 79 1HD TYR 79 8.914 -6.128 -8.862 567 HD2 TYR 79 2HD TYR 79 4.889 -7.507 -8.861 568 HE1 TYR 79 1HE TYR 79 8.203 -4.036 -9.942 569 HE2 TYR 79 2HE TYR 79 4.167 -5.419 -9.943 570 HH TYR 79 HH TYR 79 5.002 -3.612 -11.199 571 H GLY 80 H GLY 80 6.311 -11.332 -8.947 572 HA2 GLY 80 1HA GLY 80 6.644 -13.548 -8.295 573 HA3 GLY 80 2HA GLY 80 8.286 -13.138 -7.824 574 H ILE 81 H ILE 81 5.105 -11.884 -6.826 575 HA ILE 81 HA ILE 81 5.939 -11.869 -4.066 576 HB ILE 81 HB ILE 81 3.190 -11.297 -5.171 577 HG12 ILE 81 1HG1 ILE 81 4.921 -9.872 -6.226 578 HG13 ILE 81 2HG1 ILE 81 3.825 -8.948 -5.204 579 HG21 ILE 81 1HG2 ILE 81 2.578 -10.816 -3.086 580 HG22 ILE 81 2HG2 ILE 81 4.078 -11.574 -2.557 581 HG23 ILE 81 3HG2 ILE 81 4.016 -9.832 -2.819 582 HD11 ILE 81 1HD1 ILE 81 5.468 -8.293 -3.850 583 HD12 ILE 81 2HD1 ILE 81 6.206 -9.895 -3.813 584 HD13 ILE 81 3HD1 ILE 81 6.542 -8.799 -5.153 585 H ARG 82 H ARG 82 5.948 -13.683 -2.919 586 HA ARG 82 HA ARG 82 3.649 -15.504 -3.170 587 HB2 ARG 82 1HB ARG 82 6.564 -16.112 -3.267 588 HB3 ARG 82 2HB ARG 82 5.515 -17.258 -2.442 589 HG2 ARG 82 1HG ARG 82 4.103 -17.241 -4.560 590 HG3 ARG 82 2HG ARG 82 5.470 -16.426 -5.322 591 HD2 ARG 82 1HD ARG 82 5.845 -18.984 -3.806 592 HD3 ARG 82 2HD ARG 82 5.303 -18.997 -5.484 593 HE ARG 82 HE ARG 82 7.506 -17.418 -5.540 594 HH11 ARG 82 2HH1 ARG 82 6.866 -20.624 -4.344 595 HH12 ARG 82 1HH1 ARG 82 8.477 -21.194 -4.630 596 HH21 ARG 82 2HH2 ARG 82 9.631 -18.156 -5.920 597 HH22 ARG 82 1HH2 ARG 82 10.049 -19.788 -5.525 598 H GLY 83 H GLY 83 6.048 -13.978 -1.153 599 HA2 GLY 83 1HA GLY 83 4.815 -15.181 1.238 600 HA3 GLY 83 2HA GLY 83 6.415 -14.455 1.183 601 H PHE 84 H PHE 84 3.159 -13.972 1.929 602 HA PHE 84 HA PHE 84 3.427 -11.052 1.891 603 HB2 PHE 84 1HB PHE 84 0.890 -12.368 2.730 604 HB3 PHE 84 2HB PHE 84 1.137 -10.900 1.790 605 HD1 PHE 84 2HD PHE 84 2.801 -11.784 -0.411 606 HD2 PHE 84 1HD PHE 84 -0.466 -13.749 1.483 607 HE1 PHE 84 2HE PHE 84 2.359 -13.037 -2.481 608 HE2 PHE 84 1HE PHE 84 -0.913 -15.005 -0.585 609 HZ PHE 84 HZ PHE 84 0.499 -14.649 -2.571 610 HA PRO 85 HA PRO 85 1.927 -9.475 2.897 611 HB2 PRO 85 1HB PRO 85 2.963 -7.335 4.208 612 HB3 PRO 85 2HB PRO 85 1.472 -8.139 4.710 613 HG2 PRO 85 1HG PRO 85 4.245 -8.442 5.796 614 HG3 PRO 85 2HG PRO 85 2.708 -8.317 6.672 615 HD2 PRO 85 1HD PRO 85 3.955 -10.683 6.247 616 HD3 PRO 85 2HD PRO 85 2.188 -10.536 6.329 617 H THR 86 H THR 86 2.943 -7.785 1.571 618 HA THR 86 HA THR 86 5.855 -7.961 1.345 619 HB THR 86 HB THR 86 3.979 -8.440 -0.979 620 HG1 THR 86 1HG THR 86 5.397 -10.450 -0.951 621 HG21 THR 86 1HG2 THR 86 5.690 -7.364 -2.046 622 HG22 THR 86 2HG2 THR 86 6.375 -8.989 -1.995 623 HG23 THR 86 3HG2 THR 86 6.872 -7.784 -0.808 624 H ILE 87 H ILE 87 6.360 -5.885 1.713 625 HA ILE 87 HA ILE 87 4.773 -3.773 0.452 626 HB ILE 87 HB ILE 87 6.955 -3.578 2.532 627 HG12 ILE 87 1HG1 ILE 87 4.086 -2.887 3.016 628 HG13 ILE 87 2HG1 ILE 87 4.562 -4.582 3.030 629 HG21 ILE 87 1HG2 ILE 87 5.194 -1.483 1.278 630 HG22 ILE 87 2HG2 ILE 87 6.097 -1.231 2.771 631 HG23 ILE 87 3HG2 ILE 87 6.955 -1.564 1.267 632 HD11 ILE 87 1HD1 ILE 87 6.454 -3.362 4.621 633 HD12 ILE 87 2HD1 ILE 87 4.954 -2.526 5.026 634 HD13 ILE 87 3HD1 ILE 87 5.053 -4.281 5.169 635 H LYS 88 H LYS 88 5.437 -2.821 -1.348 636 HA LYS 88 HA LYS 88 8.315 -2.780 -1.956 637 HB2 LYS 88 1HB LYS 88 6.093 -3.322 -3.934 638 HB3 LYS 88 2HB LYS 88 7.802 -3.176 -4.326 639 HG2 LYS 88 1HG LYS 88 7.003 -5.200 -2.307 640 HG3 LYS 88 2HG LYS 88 6.639 -5.520 -4.004 641 HD2 LYS 88 1HD LYS 88 9.074 -4.969 -4.475 642 HD3 LYS 88 2HD LYS 88 9.324 -5.048 -2.730 643 HE2 LYS 88 1HE LYS 88 7.931 -7.314 -4.059 644 HE3 LYS 88 2HE LYS 88 9.672 -7.158 -4.288 645 HZ1 LYS 88 1HZ LYS 88 8.435 -8.343 -2.171 646 HZ2 LYS 88 2HZ LYS 88 8.892 -6.836 -1.554 647 HZ3 LYS 88 3HZ LYS 88 10.056 -7.862 -2.228 648 H ILE 89 H ILE 89 9.103 -0.904 -2.789 649 HA ILE 89 HA ILE 89 7.193 1.320 -3.009 650 HB ILE 89 HB ILE 89 10.143 1.301 -2.386 651 HG12 ILE 89 1HG1 ILE 89 9.061 2.698 -0.405 652 HG13 ILE 89 2HG1 ILE 89 7.625 1.786 -0.856 653 HG21 ILE 89 1HG2 ILE 89 9.583 3.152 -3.919 654 HG22 ILE 89 2HG2 ILE 89 8.368 3.707 -2.768 655 HG23 ILE 89 3HG2 ILE 89 10.073 3.715 -2.321 656 HD11 ILE 89 1HD1 ILE 89 8.475 -0.182 -0.118 657 HD12 ILE 89 2HD1 ILE 89 10.143 0.279 -0.462 658 HD13 ILE 89 3HD1 ILE 89 9.327 0.921 0.963 659 H PHE 90 H PHE 90 7.129 2.613 -4.798 660 HA PHE 90 HA PHE 90 8.929 1.920 -7.021 661 HB2 PHE 90 1HB PHE 90 5.941 2.362 -7.139 662 HB3 PHE 90 2HB PHE 90 6.978 2.301 -8.560 663 HD1 PHE 90 1HD PHE 90 5.662 0.346 -5.728 664 HD2 PHE 90 2HD PHE 90 7.737 0.241 -9.443 665 HE1 PHE 90 1HE PHE 90 5.432 -2.104 -5.784 666 HE2 PHE 90 2HE PHE 90 7.510 -2.208 -9.505 667 HZ PHE 90 HZ PHE 90 6.355 -3.383 -7.674 668 H GLN 91 H GLN 91 10.148 3.642 -7.411 669 HA GLN 91 HA GLN 91 8.922 6.311 -7.200 670 HB2 GLN 91 1HB GLN 91 11.847 5.578 -6.989 671 HB3 GLN 91 2HB GLN 91 11.164 7.187 -6.791 672 HG2 GLN 91 1HG GLN 91 10.042 6.543 -4.787 673 HG3 GLN 91 2HG GLN 91 10.470 4.851 -5.031 674 HE21 GLN 91 1HE2 GLN 91 11.806 4.347 -3.438 675 HE22 GLN 91 2HE2 GLN 91 13.218 5.234 -2.987 676 H LYS 92 H LYS 92 8.120 5.811 -9.414 677 HA LYS 92 HA LYS 92 9.398 5.287 -11.690 678 HB2 LYS 92 1HB LYS 92 7.223 5.891 -12.090 679 HB3 LYS 92 2HB LYS 92 7.304 7.295 -11.033 680 HG2 LYS 92 1HG LYS 92 8.248 8.634 -12.671 681 HG3 LYS 92 2HG LYS 92 8.807 7.253 -13.618 682 HD2 LYS 92 1HD LYS 92 5.896 7.903 -13.198 683 HD3 LYS 92 2HD LYS 92 6.833 8.496 -14.571 684 HE2 LYS 92 1HE LYS 92 7.437 5.964 -14.858 685 HE3 LYS 92 2HE LYS 92 5.970 5.715 -13.913 686 HZ1 LYS 92 1HZ LYS 92 4.660 6.682 -15.548 687 HZ2 LYS 92 2HZ LYS 92 5.774 5.776 -16.442 688 HZ3 LYS 92 3HZ LYS 92 5.966 7.451 -16.301 689 H GLY 93 H GLY 93 11.367 5.811 -12.375 690 HA2 GLY 93 1HA GLY 93 12.323 8.012 -13.440 691 HA3 GLY 93 2HA GLY 93 12.453 8.457 -11.745 692 H GLU 94 H GLU 94 13.121 5.779 -10.847 693 HA GLU 94 HA GLU 94 15.783 5.453 -12.059 694 HB2 GLU 94 1HB GLU 94 15.101 5.464 -9.115 695 HB3 GLU 94 2HB GLU 94 16.657 4.973 -9.769 696 HG2 GLU 94 1HG GLU 94 16.813 7.264 -10.804 697 HG3 GLU 94 2HG GLU 94 15.405 7.701 -9.837 698 H SER 95 H SER 95 14.109 3.808 -9.394 699 HA SER 95 HA SER 95 13.341 1.523 -10.841 700 HB2 SER 95 1HB SER 95 15.952 1.423 -10.821 701 HB3 SER 95 2HB SER 95 15.742 0.909 -9.147 702 HG SER 95 HG SER 95 15.121 -0.973 -9.832 703 HA PRO 96 HA PRO 96 11.096 1.035 -7.086 704 HB2 PRO 96 1HB PRO 96 10.211 -1.506 -7.449 705 HB3 PRO 96 2HB PRO 96 9.556 -0.125 -8.336 706 HG2 PRO 96 1HG PRO 96 11.588 -2.144 -9.206 707 HG3 PRO 96 2HG PRO 96 10.222 -1.469 -10.113 708 HD2 PRO 96 1HD PRO 96 12.765 -0.604 -10.452 709 HD3 PRO 96 2HD PRO 96 11.360 0.466 -10.633 710 H VAL 97 H VAL 97 11.034 -0.234 -5.122 711 HA VAL 97 HA VAL 97 13.305 -2.049 -4.725 712 HB VAL 97 HB VAL 97 13.572 -0.919 -2.418 713 HG11 VAL 97 1HG1 VAL 97 15.334 0.399 -3.227 714 HG12 VAL 97 2HG1 VAL 97 15.143 -0.875 -4.433 715 HG13 VAL 97 3HG1 VAL 97 14.500 0.739 -4.743 716 HG21 VAL 97 1HG2 VAL 97 11.615 0.790 -3.642 717 HG22 VAL 97 2HG2 VAL 97 12.239 0.809 -1.993 718 HG23 VAL 97 3HG2 VAL 97 13.073 1.707 -3.262 719 H ASP 98 H ASP 98 13.135 -2.899 -2.310 720 HA ASP 98 HA ASP 98 10.311 -3.557 -1.790 721 HB2 ASP 98 1HB ASP 98 10.997 -5.828 -1.170 722 HB3 ASP 98 2HB ASP 98 11.440 -5.470 -2.837 723 H TYR 99 H TYR 99 9.682 -2.897 0.145 724 HA TYR 99 HA TYR 99 11.542 -1.985 2.111 725 HB2 TYR 99 1HB TYR 99 9.354 -0.913 1.811 726 HB3 TYR 99 2HB TYR 99 8.551 -2.399 2.305 727 HD1 TYR 99 2HD TYR 99 8.635 -3.136 4.649 728 HD2 TYR 99 1HD TYR 99 10.353 0.560 3.427 729 HE1 TYR 99 2HE TYR 99 8.716 -2.405 6.996 730 HE2 TYR 99 1HE TYR 99 10.440 1.301 5.771 731 HH TYR 99 HH TYR 99 8.848 -0.406 8.298 732 H ASP 100 H ASP 100 12.594 -3.207 3.514 733 HA ASP 100 HA ASP 100 11.349 -5.728 4.400 734 HB2 ASP 100 1HB ASP 100 13.210 -6.459 3.215 735 HB3 ASP 100 2HB ASP 100 14.182 -5.067 3.685 736 H GLY 101 H GLY 101 10.343 -4.531 6.128 737 HA2 GLY 101 1HA GLY 101 11.994 -4.481 8.489 738 HA3 GLY 101 2HA GLY 101 11.451 -2.886 7.987 739 H GLY 102 H GLY 102 10.157 -2.523 9.773 740 HA2 GLY 102 1HA GLY 102 8.162 -4.441 10.577 741 HA3 GLY 102 2HA GLY 102 8.379 -2.823 11.228 742 H ARG 103 H ARG 103 5.955 -4.328 10.335 743 HA ARG 103 HA ARG 103 5.044 -2.668 8.104 744 HB2 ARG 103 1HB ARG 103 3.245 -4.192 7.845 745 HB3 ARG 103 2HB ARG 103 4.675 -5.171 8.144 746 HG2 ARG 103 1HG ARG 103 3.102 -4.425 10.522 747 HG3 ARG 103 2HG ARG 103 2.330 -5.537 9.390 748 HD2 ARG 103 1HD ARG 103 3.957 -7.165 9.684 749 HD3 ARG 103 2HD ARG 103 5.145 -6.009 10.284 750 HE ARG 103 HE ARG 103 2.791 -6.471 11.936 751 HH11 ARG 103 2HH1 ARG 103 6.161 -7.103 11.330 752 HH12 ARG 103 1HH1 ARG 103 6.478 -7.668 12.937 753 HH21 ARG 103 2HH2 ARG 103 3.197 -7.213 14.055 754 HH22 ARG 103 1HH2 ARG 103 4.792 -7.731 14.485 755 H THR 104 H THR 104 5.460 -1.722 10.918 756 HA THR 104 HA THR 104 2.735 -1.073 11.746 757 HB THR 104 HB THR 104 3.869 0.008 13.713 758 HG1 THR 104 1HG THR 104 6.207 -1.343 12.851 759 HG21 THR 104 1HG2 THR 104 3.079 -2.453 13.519 760 HG22 THR 104 2HG2 THR 104 4.123 -1.999 14.866 761 HG23 THR 104 3HG2 THR 104 4.800 -2.831 13.467 762 H ARG 105 H ARG 105 1.805 0.846 11.404 763 HA ARG 105 HA ARG 105 2.440 2.673 9.576 764 HB2 ARG 105 1HB ARG 105 0.949 4.161 10.560 765 HB3 ARG 105 2HB ARG 105 0.451 2.617 11.239 766 HG2 ARG 105 1HG ARG 105 2.032 3.237 13.190 767 HG3 ARG 105 2HG ARG 105 1.899 4.876 12.550 768 HD2 ARG 105 1HD ARG 105 -0.567 4.683 12.704 769 HD3 ARG 105 2HD ARG 105 -0.364 3.101 13.455 770 HE ARG 105 HE ARG 105 0.211 4.138 15.418 771 HH11 ARG 105 2HH1 ARG 105 0.292 6.453 12.818 772 HH12 ARG 105 1HH1 ARG 105 0.495 7.817 13.866 773 HH21 ARG 105 2HH2 ARG 105 0.478 5.927 16.807 774 HH22 ARG 105 1HH2 ARG 105 0.602 7.517 16.135 775 H SER 106 H SER 106 3.866 2.512 12.782 776 HA SER 106 HA SER 106 5.180 4.967 12.844 777 HB2 SER 106 1HB SER 106 5.955 2.298 14.036 778 HB3 SER 106 2HB SER 106 6.798 3.805 14.394 779 HG SER 106 HG SER 106 4.521 4.551 14.922 780 H ASP 107 H ASP 107 6.560 1.816 11.894 781 HA ASP 107 HA ASP 107 8.943 2.955 10.848 782 HB2 ASP 107 1HB ASP 107 7.726 0.234 10.323 783 HB3 ASP 107 2HB ASP 107 9.383 0.707 9.959 784 H ILE 108 H ILE 108 6.112 1.497 9.244 785 HA ILE 108 HA ILE 108 6.768 1.833 6.621 786 HB ILE 108 HB ILE 108 4.049 2.357 7.829 787 HG12 ILE 108 1HG1 ILE 108 4.916 -0.195 6.509 788 HG13 ILE 108 2HG1 ILE 108 5.305 0.097 8.201 789 HG21 ILE 108 1HG2 ILE 108 3.158 2.473 5.768 790 HG22 ILE 108 2HG2 ILE 108 4.790 2.941 5.294 791 HG23 ILE 108 3HG2 ILE 108 4.265 1.268 5.109 792 HD11 ILE 108 1HD1 ILE 108 2.500 0.356 7.198 793 HD12 ILE 108 2HD1 ILE 108 3.178 -1.211 7.639 794 HD13 ILE 108 3HD1 ILE 108 3.075 0.075 8.841 795 H VAL 109 H VAL 109 5.328 4.289 8.746 796 HA VAL 109 HA VAL 109 5.258 6.317 6.745 797 HB VAL 109 HB VAL 109 5.073 6.471 9.753 798 HG11 VAL 109 1HG1 VAL 109 4.516 8.683 7.783 799 HG12 VAL 109 2HG1 VAL 109 4.432 8.770 9.544 800 HG13 VAL 109 3HG1 VAL 109 5.990 8.559 8.742 801 HG21 VAL 109 1HG2 VAL 109 2.737 7.292 8.312 802 HG22 VAL 109 2HG2 VAL 109 3.241 5.692 7.766 803 HG23 VAL 109 3HG2 VAL 109 2.924 5.981 9.477 804 H SER 110 H SER 110 7.429 5.656 9.482 805 HA SER 110 HA SER 110 9.114 7.821 9.308 806 HB2 SER 110 1HB SER 110 9.249 6.087 11.068 807 HB3 SER 110 2HB SER 110 9.938 4.966 9.894 808 HG SER 110 HG SER 110 11.071 7.446 10.689 809 H ARG 111 H ARG 111 9.100 4.899 7.341 810 HA ARG 111 HA ARG 111 11.524 5.508 5.958 811 HB2 ARG 111 1HB ARG 111 10.908 3.222 6.030 812 HB3 ARG 111 2HB ARG 111 9.281 3.562 5.456 813 HG2 ARG 111 1HG ARG 111 10.472 2.561 3.669 814 HG3 ARG 111 2HG ARG 111 10.287 4.272 3.281 815 HD2 ARG 111 1HD ARG 111 12.515 4.718 3.564 816 HD3 ARG 111 2HD ARG 111 12.738 3.413 4.728 817 HE ARG 111 HE ARG 111 12.994 3.252 1.868 818 HH11 ARG 111 2HH1 ARG 111 12.389 1.473 4.799 819 HH12 ARG 111 1HH1 ARG 111 12.910 -0.043 4.141 820 HH21 ARG 111 2HH2 ARG 111 13.682 1.262 0.990 821 HH22 ARG 111 1HH2 ARG 111 13.646 -0.162 1.975 822 H ALA 112 H ALA 112 8.104 5.560 4.942 823 HA ALA 112 HA ALA 112 8.326 6.574 2.425 824 HB1 ALA 112 1HB ALA 112 6.143 7.932 3.251 825 HB2 ALA 112 2HB ALA 112 6.143 6.216 2.841 826 HB3 ALA 112 3HB ALA 112 6.271 6.719 4.526 827 H LEU 113 H LEU 113 8.583 8.357 5.455 828 HA LEU 113 HA LEU 113 8.538 10.958 4.438 829 HB2 LEU 113 1HB LEU 113 9.717 9.689 6.869 830 HB3 LEU 113 2HB LEU 113 10.093 11.371 6.501 831 HG LEU 113 HG LEU 113 7.283 10.329 6.818 832 HD11 LEU 113 1HD1 LEU 113 8.336 9.983 8.922 833 HD12 LEU 113 2HD1 LEU 113 7.392 11.466 9.048 834 HD13 LEU 113 3HD1 LEU 113 9.142 11.550 8.847 835 HD21 LEU 113 1HD2 LEU 113 8.526 12.937 6.233 836 HD22 LEU 113 2HD2 LEU 113 7.221 12.952 7.420 837 HD23 LEU 113 3HD2 LEU 113 6.934 12.312 5.801 838 H ASP 114 H ASP 114 11.212 8.678 4.813 839 HA ASP 114 HA ASP 114 13.332 10.366 4.179 840 HB2 ASP 114 1HB ASP 114 13.305 7.872 4.948 841 HB3 ASP 114 2HB ASP 114 13.281 7.522 3.222 842 H LEU 115 H LEU 115 11.150 8.565 2.064 843 HA LEU 115 HA LEU 115 12.510 9.270 -0.346 844 HB2 LEU 115 1HB LEU 115 9.651 8.380 -0.036 845 HB3 LEU 115 2HB LEU 115 10.643 8.292 -1.490 846 HG LEU 115 HG LEU 115 11.392 6.770 0.984 847 HD11 LEU 115 1HD1 LEU 115 9.826 5.458 -1.177 848 HD12 LEU 115 2HD1 LEU 115 8.962 6.378 0.054 849 HD13 LEU 115 3HD1 LEU 115 9.991 5.025 0.525 850 HD21 LEU 115 1HD2 LEU 115 13.147 6.540 -0.433 851 HD22 LEU 115 2HD2 LEU 115 12.171 6.838 -1.872 852 HD23 LEU 115 3HD2 LEU 115 12.129 5.258 -1.088 853 H PHE 116 H PHE 116 9.643 10.491 1.339 854 HA PHE 116 HA PHE 116 8.719 12.311 -0.517 855 HB2 PHE 116 1HB PHE 116 7.491 11.853 1.520 856 HB3 PHE 116 2HB PHE 116 8.781 12.547 2.497 857 HD1 PHE 116 2HD PHE 116 6.657 13.567 -0.401 858 HD2 PHE 116 1HD PHE 116 8.383 14.633 3.341 859 HE1 PHE 116 2HE PHE 116 5.561 15.767 -0.526 860 HE2 PHE 116 1HE PHE 116 7.290 16.834 3.223 861 HZ PHE 116 HZ PHE 116 5.878 17.404 1.287 862 H SER 117 H SER 117 11.363 12.654 1.790 863 HA SER 117 HA SER 117 11.876 15.387 0.936 864 HB2 SER 117 1HB SER 117 13.078 13.599 3.043 865 HB3 SER 117 2HB SER 117 13.823 15.136 2.601 866 HG SER 117 HG SER 117 11.664 14.663 4.159 867 H ASP 118 H ASP 118 12.205 13.036 -0.873 868 HA ASP 118 HA ASP 118 14.988 13.584 -1.653 869 HB2 ASP 118 1HB ASP 118 14.553 11.266 -0.587 870 HB3 ASP 118 2HB ASP 118 13.730 10.889 -2.099 871 H ASN 119 H ASN 119 11.706 12.822 -2.590 872 HA ASN 119 HA ASN 119 12.373 13.593 -5.355 873 HB2 ASN 119 1HB ASN 119 10.120 12.212 -5.757 874 HB3 ASN 119 2HB ASN 119 11.703 11.440 -5.742 875 HD21 ASN 119 1HD2 ASN 119 8.911 12.203 -3.737 876 HD22 ASN 119 2HD2 ASN 119 9.080 10.854 -2.671 877 H ALA 120 H ALA 120 9.971 13.704 -2.772 878 HA ALA 120 HA ALA 120 8.098 15.344 -4.106 879 HB1 ALA 120 1HB ALA 120 8.201 15.716 -1.217 880 HB2 ALA 120 2HB ALA 120 6.896 15.108 -2.238 881 HB3 ALA 120 3HB ALA 120 8.177 14.021 -1.702 882 HA PRO 121 HA PRO 121 9.759 19.399 -3.888 883 HB2 PRO 121 1HB PRO 121 7.588 20.891 -3.233 884 HB3 PRO 121 2HB PRO 121 7.801 20.152 -4.824 885 HG2 PRO 121 1HG PRO 121 6.172 19.205 -2.497 886 HG3 PRO 121 2HG PRO 121 5.752 19.233 -4.220 887 HD2 PRO 121 1HD PRO 121 6.581 16.985 -2.958 888 HD3 PRO 121 2HD PRO 121 6.934 17.306 -4.668 889 HA PRO 122 HA PRO 122 10.899 20.234 0.297 890 HB2 PRO 122 1HB PRO 122 11.964 22.706 -0.057 891 HB3 PRO 122 2HB PRO 122 12.779 21.226 -0.576 892 HG2 PRO 122 1HG PRO 122 11.166 23.165 -2.189 893 HG3 PRO 122 2HG PRO 122 12.701 22.375 -2.596 894 HD2 PRO 122 1HD PRO 122 10.319 21.513 -3.554 895 HD3 PRO 122 2HD PRO 122 11.669 20.410 -3.217 896 HA PRO 123 HA PRO 123 7.291 22.473 1.692 897 HB2 PRO 123 1HB PRO 123 7.739 22.083 4.341 898 HB3 PRO 123 2HB PRO 123 7.074 20.832 3.285 899 HG2 PRO 123 1HG PRO 123 9.886 21.206 4.242 900 HG3 PRO 123 2HG PRO 123 8.936 19.714 4.116 901 HD2 PRO 123 1HD PRO 123 10.789 20.419 2.273 902 HD3 PRO 123 2HD PRO 123 9.326 19.506 1.854 903 H GLU 124 H GLU 124 7.219 24.624 1.738 904 HA GLU 124 HA GLU 124 9.320 26.356 2.111 905 HB2 GLU 124 1HB GLU 124 7.637 28.115 2.485 906 HB3 GLU 124 2HB GLU 124 7.205 27.065 1.142 907 HG2 GLU 124 1HG GLU 124 5.765 25.794 2.807 908 HG3 GLU 124 2HG GLU 124 6.010 27.163 3.889 909 H LEU 125 H LEU 125 9.534 28.028 3.875 910 HA LEU 125 HA LEU 125 10.094 26.724 6.328 911 HB2 LEU 125 1HB LEU 125 10.106 29.597 5.460 912 HB3 LEU 125 2HB LEU 125 10.464 29.131 7.122 913 HG LEU 125 HG LEU 125 12.251 27.587 5.967 914 HD11 LEU 125 1HD1 LEU 125 11.791 27.909 3.696 915 HD12 LEU 125 2HD1 LEU 125 13.214 28.903 4.004 916 HD13 LEU 125 3HD1 LEU 125 11.623 29.654 3.884 917 HD21 LEU 125 1HD2 LEU 125 13.150 29.093 7.423 918 HD22 LEU 125 2HD2 LEU 125 12.322 30.468 6.691 919 HD23 LEU 125 3HD2 LEU 125 13.742 29.773 5.907 920 H LEU 126 H LEU 126 8.953 26.554 8.167 921 HA LEU 126 HA LEU 126 6.706 28.280 8.721 922 HB2 LEU 126 1HB LEU 126 6.032 26.237 7.197 923 HB3 LEU 126 2HB LEU 126 6.063 25.373 8.733 924 HG LEU 126 HG LEU 126 4.377 26.923 9.623 925 HD11 LEU 126 1HD1 LEU 126 4.738 28.192 6.946 926 HD12 LEU 126 2HD1 LEU 126 4.607 28.940 8.537 927 HD13 LEU 126 3HD1 LEU 126 3.173 28.277 7.754 928 HD21 LEU 126 1HD2 LEU 126 3.981 24.809 7.986 929 HD22 LEU 126 2HD2 LEU 126 3.103 26.065 7.113 930 HD23 LEU 126 3HD2 LEU 126 2.685 25.697 8.787 931 H GLU 127 H GLU 127 6.506 28.580 10.853 932 HA GLU 127 HA GLU 127 7.854 26.661 12.638 933 HB2 GLU 127 1HB GLU 127 8.825 29.028 12.389 934 HB3 GLU 127 2HB GLU 127 7.412 29.566 13.286 935 HG2 GLU 127 1HG GLU 127 9.420 27.551 14.268 936 HG3 GLU 127 2HG GLU 127 9.389 29.258 14.708 937 H SER 128 H SER 128 5.244 29.081 12.536 938 HA SER 128 HA SER 128 3.454 27.272 13.893 939 HB2 SER 128 1HB SER 128 4.509 28.149 15.854 940 HB3 SER 128 2HB SER 128 4.427 29.799 15.237 941 HG SER 128 HG SER 128 2.713 29.718 16.535 942 H GLY 129 H GLY 129 1.467 27.551 13.109 943 HA2 GLY 129 1HA GLY 129 0.932 29.670 11.257 944 HA3 GLY 129 2HA GLY 129 -0.192 28.416 11.759 945 HA PRO 130 HA PRO 130 -2.332 31.109 14.480 946 HB2 PRO 130 1HB PRO 130 -2.346 29.897 16.909 947 HB3 PRO 130 2HB PRO 130 -3.284 29.303 15.534 948 HG2 PRO 130 1HG PRO 130 -0.643 28.354 16.577 949 HG3 PRO 130 2HG PRO 130 -2.035 27.404 16.023 950 HD2 PRO 130 1HD PRO 130 0.141 27.841 14.472 951 HD3 PRO 130 2HD PRO 130 -1.493 27.674 13.799 952 H SER 131 H SER 131 0.924 30.755 14.824 953 HA SER 131 HA SER 131 1.851 31.674 17.149 954 HB2 SER 131 1HB SER 131 3.614 32.850 15.977 955 HB3 SER 131 2HB SER 131 3.207 31.395 15.067 956 HG SER 131 HG SER 131 1.950 32.707 13.682 957 H SER 132 H SER 132 0.126 33.662 14.791 958 HA SER 132 HA SER 132 -0.156 35.736 16.867 959 HB2 SER 132 1HB SER 132 -0.193 37.427 15.084 960 HB3 SER 132 2HB SER 132 1.314 36.513 15.052 961 HG SER 132 HG SER 132 -0.002 36.897 13.000 962 H GLY 133 H GLY 133 -1.622 35.077 13.681 963 HA2 GLY 133 1HA GLY 133 -4.207 34.614 14.928 964 HA3 GLY 133 2HA GLY 133 -4.087 36.073 13.957 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -16.506 14.763 3.723 2 HA2 GLY 1 1HA GLY 1 -17.581 12.406 4.709 3 HA3 GLY 1 2HA GLY 1 -17.257 12.714 3.009 4 H SER 2 H SER 2 -16.581 10.715 5.565 5 HA SER 2 HA SER 2 -13.849 10.106 5.094 6 HB2 SER 2 1HB SER 2 -14.249 8.134 6.485 7 HB3 SER 2 2HB SER 2 -15.007 9.552 7.208 8 HG SER 2 HG SER 2 -16.455 7.840 5.499 9 H SER 3 H SER 3 -13.063 9.254 3.296 10 HA SER 3 HA SER 3 -14.767 7.504 1.672 11 HB2 SER 3 1HB SER 3 -13.199 7.942 -0.151 12 HB3 SER 3 2HB SER 3 -13.752 9.463 0.550 13 HG SER 3 HG SER 3 -11.679 8.994 1.924 14 H GLY 4 H GLY 4 -14.474 5.700 3.130 15 HA2 GLY 4 1HA GLY 4 -13.188 3.572 2.531 16 HA3 GLY 4 2HA GLY 4 -11.780 4.504 3.020 17 H SER 5 H SER 5 -13.584 2.094 4.036 18 HA SER 5 HA SER 5 -14.319 2.854 6.677 19 HB2 SER 5 1HB SER 5 -14.084 0.264 5.197 20 HB3 SER 5 2HB SER 5 -14.230 0.230 6.955 21 HG SER 5 HG SER 5 -16.228 0.986 6.823 22 H SER 6 H SER 6 -11.692 0.742 5.502 23 HA SER 6 HA SER 6 -10.381 0.511 7.970 24 HB2 SER 6 1HB SER 6 -9.058 0.373 5.256 25 HB3 SER 6 2HB SER 6 -8.537 -0.418 6.744 26 HG SER 6 HG SER 6 -9.610 -1.946 5.575 27 H GLY 7 H GLY 7 -9.723 2.671 5.216 28 HA2 GLY 7 1HA GLY 7 -9.075 4.909 6.732 29 HA3 GLY 7 2HA GLY 7 -7.574 4.034 6.469 30 H ASP 8 H ASP 8 -6.558 5.411 5.098 31 HA ASP 8 HA ASP 8 -7.971 6.390 2.742 32 HB2 ASP 8 1HB ASP 8 -6.608 8.003 3.941 33 HB3 ASP 8 2HB ASP 8 -5.194 6.963 3.793 34 H VAL 9 H VAL 9 -6.956 3.533 3.290 35 HA VAL 9 HA VAL 9 -4.879 2.938 1.501 36 HB VAL 9 HB VAL 9 -7.177 1.131 2.263 37 HG11 VAL 9 1HG1 VAL 9 -5.682 0.459 0.338 38 HG12 VAL 9 2HG1 VAL 9 -4.367 0.360 1.511 39 HG13 VAL 9 3HG1 VAL 9 -5.779 -0.684 1.677 40 HG21 VAL 9 1HG2 VAL 9 -5.875 2.237 4.162 41 HG22 VAL 9 2HG2 VAL 9 -5.990 0.478 4.179 42 HG23 VAL 9 3HG2 VAL 9 -4.506 1.259 3.632 43 H ILE 10 H ILE 10 -4.797 2.594 -0.647 44 HA ILE 10 HA ILE 10 -7.266 3.052 -2.168 45 HB ILE 10 HB ILE 10 -4.397 3.209 -3.098 46 HG12 ILE 10 1HG1 ILE 10 -6.326 5.499 -2.756 47 HG13 ILE 10 2HG1 ILE 10 -5.268 4.975 -1.451 48 HG21 ILE 10 1HG2 ILE 10 -5.161 3.881 -5.186 49 HG22 ILE 10 2HG2 ILE 10 -6.273 2.583 -4.755 50 HG23 ILE 10 3HG2 ILE 10 -6.772 4.266 -4.582 51 HD11 ILE 10 1HD1 ILE 10 -4.584 6.908 -3.091 52 HD12 ILE 10 2HD1 ILE 10 -3.393 5.763 -2.473 53 HD13 ILE 10 3HD1 ILE 10 -4.055 5.559 -4.095 54 H GLU 11 H GLU 11 -7.989 1.629 -3.699 55 HA GLU 11 HA GLU 11 -6.786 -1.041 -3.617 56 HB2 GLU 11 1HB GLU 11 -9.245 -0.660 -3.105 57 HB3 GLU 11 2HB GLU 11 -9.450 -0.284 -4.810 58 HG2 GLU 11 1HG GLU 11 -8.607 -2.520 -5.384 59 HG3 GLU 11 2HG GLU 11 -8.476 -2.892 -3.666 60 H LEU 12 H LEU 12 -5.569 -1.714 -5.244 61 HA LEU 12 HA LEU 12 -5.948 -0.476 -7.891 62 HB2 LEU 12 1HB LEU 12 -3.403 -1.559 -6.691 63 HB3 LEU 12 2HB LEU 12 -3.570 -0.865 -8.302 64 HG LEU 12 HG LEU 12 -4.048 0.674 -5.755 65 HD11 LEU 12 1HD1 LEU 12 -1.709 -0.134 -5.951 66 HD12 LEU 12 2HD1 LEU 12 -1.862 1.621 -6.019 67 HD13 LEU 12 3HD1 LEU 12 -1.592 0.702 -7.500 68 HD21 LEU 12 1HD2 LEU 12 -4.928 1.266 -8.224 69 HD22 LEU 12 2HD2 LEU 12 -3.318 1.982 -8.298 70 HD23 LEU 12 3HD2 LEU 12 -4.451 2.485 -7.042 71 H THR 13 H THR 13 -5.011 -1.916 -9.682 72 HA THR 13 HA THR 13 -5.633 -4.743 -9.139 73 HB THR 13 HB THR 13 -6.793 -4.959 -11.236 74 HG1 THR 13 1HG THR 13 -7.187 -2.785 -12.347 75 HG21 THR 13 1HG2 THR 13 -7.919 -2.431 -10.074 76 HG22 THR 13 2HG2 THR 13 -7.952 -3.943 -9.167 77 HG23 THR 13 3HG2 THR 13 -8.773 -3.830 -10.723 78 H ASP 14 H ASP 14 -5.037 -5.976 -11.376 79 HA ASP 14 HA ASP 14 -2.216 -5.923 -11.493 80 HB2 ASP 14 1HB ASP 14 -2.776 -7.375 -13.656 81 HB3 ASP 14 2HB ASP 14 -2.981 -8.014 -12.027 82 H ASP 15 H ASP 15 -4.668 -4.271 -13.282 83 HA ASP 15 HA ASP 15 -2.690 -3.365 -15.258 84 HB2 ASP 15 1HB ASP 15 -4.965 -4.377 -15.944 85 HB3 ASP 15 2HB ASP 15 -5.649 -2.841 -15.417 86 H SER 16 H SER 16 -5.270 -2.135 -13.140 87 HA SER 16 HA SER 16 -4.752 0.595 -13.562 88 HB2 SER 16 1HB SER 16 -6.094 -0.919 -11.329 89 HB3 SER 16 2HB SER 16 -5.919 0.835 -11.278 90 HG SER 16 HG SER 16 -7.920 -0.043 -12.235 91 H PHE 17 H PHE 17 -3.148 -1.783 -11.649 92 HA PHE 17 HA PHE 17 -1.955 -0.226 -9.675 93 HB2 PHE 17 1HB PHE 17 -1.670 -2.530 -9.414 94 HB3 PHE 17 2HB PHE 17 -1.140 -2.751 -11.078 95 HD1 PHE 17 2HD PHE 17 1.107 -1.477 -11.671 96 HD2 PHE 17 1HD PHE 17 -0.094 -2.631 -7.754 97 HE1 PHE 17 2HE PHE 17 3.452 -1.401 -10.933 98 HE2 PHE 17 1HE PHE 17 2.250 -2.556 -7.010 99 HZ PHE 17 HZ PHE 17 4.027 -1.942 -8.600 100 H ASP 18 H ASP 18 -1.215 -0.536 -13.065 101 HA ASP 18 HA ASP 18 1.272 0.962 -12.774 102 HB2 ASP 18 1HB ASP 18 1.097 0.658 -15.418 103 HB3 ASP 18 2HB ASP 18 1.690 -0.627 -14.368 104 H LYS 19 H LYS 19 -1.915 1.265 -14.285 105 HA LYS 19 HA LYS 19 -1.488 3.782 -15.479 106 HB2 LYS 19 1HB LYS 19 -3.696 3.702 -16.076 107 HB3 LYS 19 2HB LYS 19 -3.442 2.002 -15.702 108 HG2 LYS 19 1HG LYS 19 -5.352 2.339 -14.534 109 HG3 LYS 19 2HG LYS 19 -4.192 2.808 -13.290 110 HD2 LYS 19 1HD LYS 19 -4.703 5.026 -13.458 111 HD3 LYS 19 2HD LYS 19 -5.125 4.911 -15.168 112 HE2 LYS 19 1HE LYS 19 -7.022 5.343 -13.516 113 HE3 LYS 19 2HE LYS 19 -7.256 4.058 -14.700 114 HZ1 LYS 19 1HZ LYS 19 -7.483 2.580 -13.083 115 HZ2 LYS 19 2HZ LYS 19 -7.480 3.849 -11.965 116 HZ3 LYS 19 3HZ LYS 19 -6.037 3.052 -12.343 117 H ASN 20 H ASN 20 -1.745 2.909 -12.234 118 HA ASN 20 HA ASN 20 -2.655 5.582 -11.429 119 HB2 ASN 20 1HB ASN 20 -2.484 2.953 -9.967 120 HB3 ASN 20 2HB ASN 20 -2.701 4.475 -9.109 121 HD21 ASN 20 1HD2 ASN 20 -4.280 1.909 -10.363 122 HD22 ASN 20 2HD2 ASN 20 -5.839 2.610 -10.613 123 H VAL 21 H VAL 21 -0.028 3.257 -10.960 124 HA VAL 21 HA VAL 21 1.522 5.152 -9.409 125 HB VAL 21 HB VAL 21 2.157 2.371 -10.396 126 HG11 VAL 21 1HG1 VAL 21 4.284 3.183 -10.256 127 HG12 VAL 21 2HG1 VAL 21 3.852 4.425 -9.078 128 HG13 VAL 21 3HG1 VAL 21 4.034 2.746 -8.566 129 HG21 VAL 21 1HG2 VAL 21 0.868 3.460 -8.032 130 HG22 VAL 21 2HG2 VAL 21 0.923 1.800 -8.625 131 HG23 VAL 21 3HG2 VAL 21 2.241 2.426 -7.634 132 H LEU 22 H LEU 22 2.249 3.261 -12.348 133 HA LEU 22 HA LEU 22 4.452 4.723 -13.170 134 HB2 LEU 22 1HB LEU 22 2.444 3.429 -15.002 135 HB3 LEU 22 2HB LEU 22 4.142 3.755 -15.344 136 HG LEU 22 HG LEU 22 3.097 1.761 -13.333 137 HD11 LEU 22 1HD1 LEU 22 2.908 1.358 -15.907 138 HD12 LEU 22 2HD1 LEU 22 3.513 0.085 -14.848 139 HD13 LEU 22 3HD1 LEU 22 4.642 1.062 -15.786 140 HD21 LEU 22 1HD2 LEU 22 5.331 2.945 -12.889 141 HD22 LEU 22 2HD2 LEU 22 5.931 2.037 -14.277 142 HD23 LEU 22 3HD2 LEU 22 5.308 1.181 -12.865 143 H ASP 23 H ASP 23 1.034 5.214 -13.964 144 HA ASP 23 HA ASP 23 1.540 7.469 -15.655 145 HB2 ASP 23 1HB ASP 23 -0.531 5.819 -15.521 146 HB3 ASP 23 2HB ASP 23 -1.131 7.034 -14.395 147 H SER 24 H SER 24 2.044 7.188 -12.498 148 HA SER 24 HA SER 24 1.311 9.990 -11.969 149 HB2 SER 24 1HB SER 24 -0.185 8.450 -10.723 150 HB3 SER 24 2HB SER 24 1.229 7.737 -9.947 151 HG SER 24 HG SER 24 -0.056 9.627 -8.938 152 H GLU 25 H GLU 25 3.105 11.145 -11.799 153 HA GLU 25 HA GLU 25 5.679 10.086 -11.464 154 HB2 GLU 25 1HB GLU 25 4.635 12.890 -11.048 155 HB3 GLU 25 2HB GLU 25 6.342 12.470 -11.014 156 HG2 GLU 25 1HG GLU 25 6.040 11.554 -13.342 157 HG3 GLU 25 2HG GLU 25 4.447 12.309 -13.338 158 H ASP 26 H ASP 26 3.228 10.627 -9.193 159 HA ASP 26 HA ASP 26 4.894 11.149 -6.918 160 HB2 ASP 26 1HB ASP 26 2.049 10.125 -6.956 161 HB3 ASP 26 2HB ASP 26 2.876 10.901 -5.608 162 H VAL 27 H VAL 27 5.251 9.719 -5.142 163 HA VAL 27 HA VAL 27 5.984 7.082 -5.962 164 HB VAL 27 HB VAL 27 5.939 8.240 -3.172 165 HG11 VAL 27 1HG1 VAL 27 6.214 6.008 -2.772 166 HG12 VAL 27 2HG1 VAL 27 6.955 5.704 -4.345 167 HG13 VAL 27 3HG1 VAL 27 7.892 6.465 -3.059 168 HG21 VAL 27 1HG2 VAL 27 7.357 9.299 -5.157 169 HG22 VAL 27 2HG2 VAL 27 7.987 9.173 -3.514 170 HG23 VAL 27 3HG2 VAL 27 8.450 7.982 -4.729 171 H TRP 28 H TRP 28 4.988 5.173 -5.619 172 HA TRP 28 HA TRP 28 2.466 5.211 -4.096 173 HB2 TRP 28 1HB TRP 28 3.100 4.018 -6.772 174 HB3 TRP 28 2HB TRP 28 1.861 3.281 -5.760 175 HD1 TRP 28 HD TRP 28 2.626 6.578 -7.599 176 HE1 TRP 28 1HE TRP 28 0.401 7.802 -8.020 177 HE3 TRP 28 3HE TRP 28 -0.506 3.487 -4.996 178 HZ2 TRP 28 2HZ TRP 28 -2.321 7.498 -7.338 179 HZ3 TRP 28 3HZ TRP 28 -2.906 4.025 -4.929 180 HH2 TRP 28 HH TRP 28 -3.793 5.989 -6.076 181 H MET 29 H MET 29 2.663 4.035 -2.315 182 HA MET 29 HA MET 29 4.621 1.886 -2.188 183 HB2 MET 29 1HB MET 29 3.080 3.483 -0.209 184 HB3 MET 29 2HB MET 29 3.550 1.855 0.262 185 HG2 MET 29 1HG MET 29 5.895 2.421 -0.268 186 HG3 MET 29 2HG MET 29 5.384 4.072 -0.614 187 HE1 MET 29 1HE MET 29 6.984 2.683 3.167 188 HE2 MET 29 2HE MET 29 5.981 1.429 2.439 189 HE3 MET 29 3HE MET 29 7.248 2.207 1.489 190 H VAL 30 H VAL 30 3.953 0.012 -3.034 191 HA VAL 30 HA VAL 30 1.177 -0.825 -2.759 192 HB VAL 30 HB VAL 30 3.490 -2.105 -4.221 193 HG11 VAL 30 1HG1 VAL 30 2.190 -3.943 -3.867 194 HG12 VAL 30 2HG1 VAL 30 0.706 -3.001 -3.704 195 HG13 VAL 30 3HG1 VAL 30 1.390 -3.303 -5.302 196 HG21 VAL 30 1HG2 VAL 30 1.930 0.099 -4.895 197 HG22 VAL 30 2HG2 VAL 30 2.957 -0.842 -5.976 198 HG23 VAL 30 3HG2 VAL 30 1.246 -1.237 -5.820 199 H GLU 31 H GLU 31 0.465 -2.334 -1.380 200 HA GLU 31 HA GLU 31 2.455 -3.956 0.061 201 HB2 GLU 31 1HB GLU 31 1.864 -2.400 1.695 202 HB3 GLU 31 2HB GLU 31 0.193 -2.320 1.154 203 HG2 GLU 31 1HG GLU 31 0.383 -3.452 3.296 204 HG3 GLU 31 2HG GLU 31 -0.227 -4.537 2.048 205 H PHE 32 H PHE 32 2.134 -5.928 -0.781 206 HA PHE 32 HA PHE 32 -0.481 -6.874 -1.517 207 HB2 PHE 32 1HB PHE 32 2.077 -8.472 -1.321 208 HB3 PHE 32 2HB PHE 32 0.635 -8.877 -2.247 209 HD1 PHE 32 2HD PHE 32 3.498 -6.562 -2.030 210 HD2 PHE 32 1HD PHE 32 0.289 -8.017 -4.418 211 HE1 PHE 32 2HE PHE 32 4.440 -5.413 -3.990 212 HE2 PHE 32 1HE PHE 32 1.227 -6.871 -6.383 213 HZ PHE 32 HZ PHE 32 3.305 -5.565 -6.170 214 H TYR 33 H TYR 33 -1.877 -7.947 -0.284 215 HA TYR 33 HA TYR 33 -0.905 -9.398 2.068 216 HB2 TYR 33 1HB TYR 33 -2.433 -8.384 3.559 217 HB3 TYR 33 2HB TYR 33 -1.707 -7.049 2.670 218 HD1 TYR 33 1HD TYR 33 -4.728 -9.200 2.843 219 HD2 TYR 33 2HD TYR 33 -3.047 -5.545 1.458 220 HE1 TYR 33 1HE TYR 33 -6.971 -8.419 2.202 221 HE2 TYR 33 2HE TYR 33 -5.285 -4.753 0.814 222 HH TYR 33 HH TYR 33 -7.436 -5.439 0.416 223 H ALA 34 H ALA 34 -2.694 -10.755 3.039 224 HA ALA 34 HA ALA 34 -4.482 -11.746 0.914 225 HB1 ALA 34 1HB ALA 34 -4.114 -13.991 1.617 226 HB2 ALA 34 2HB ALA 34 -2.532 -13.240 1.403 227 HB3 ALA 34 3HB ALA 34 -3.191 -13.463 3.024 228 HA PRO 35 HA PRO 35 -7.730 -10.960 3.804 229 HB2 PRO 35 1HB PRO 35 -9.675 -12.398 2.571 230 HB3 PRO 35 2HB PRO 35 -9.110 -10.834 1.972 231 HG2 PRO 35 1HG PRO 35 -8.373 -13.589 1.062 232 HG3 PRO 35 2HG PRO 35 -8.731 -12.149 0.092 233 HD2 PRO 35 1HD PRO 35 -6.202 -12.982 0.583 234 HD3 PRO 35 2HD PRO 35 -6.623 -11.268 0.391 235 H TRP 36 H TRP 36 -6.177 -13.889 3.367 236 HA TRP 36 HA TRP 36 -7.762 -15.147 5.511 237 HB2 TRP 36 1HB TRP 36 -6.609 -17.299 4.471 238 HB3 TRP 36 2HB TRP 36 -8.111 -16.654 3.815 239 HD1 TRP 36 HD TRP 36 -8.113 -16.069 1.307 240 HE1 TRP 36 1HE TRP 36 -6.319 -15.918 -0.533 241 HE3 TRP 36 3HE TRP 36 -3.935 -16.629 4.199 242 HZ2 TRP 36 2HZ TRP 36 -3.505 -16.024 -0.732 243 HZ3 TRP 36 3HZ TRP 36 -1.730 -16.593 3.107 244 HH2 TRP 36 HH TRP 36 -1.522 -16.297 0.692 245 H CYS 37 H CYS 37 -4.900 -13.672 4.819 246 HA CYS 37 HA CYS 37 -3.220 -15.380 6.469 247 HB2 CYS 37 1HB CYS 37 -2.109 -14.480 4.567 248 HB3 CYS 37 2HB CYS 37 -2.697 -12.856 4.903 249 HG CYS 37 HG CYS 37 -1.117 -13.373 7.544 250 H GLY 38 H GLY 38 -3.421 -15.219 8.604 251 HA2 GLY 38 1HA GLY 38 -4.659 -13.181 10.019 252 HA3 GLY 38 2HA GLY 38 -3.497 -14.304 10.708 253 H HIS 39 H HIS 39 -1.146 -13.685 9.666 254 HA HIS 39 HA HIS 39 -0.200 -11.548 11.072 255 HB2 HIS 39 1HB HIS 39 0.859 -12.544 8.419 256 HB3 HIS 39 2HB HIS 39 1.756 -11.559 9.570 257 HD1 HIS 39 1HD HIS 39 2.426 -14.549 8.571 258 HD2 HIS 39 2HD HIS 39 0.826 -13.419 12.234 259 HE1 HIS 39 1HE HIS 39 2.992 -16.417 10.156 260 HE2 HIS 39 2HE HIS 39 1.940 -15.751 12.345 261 H CYS 40 H CYS 40 -1.501 -11.525 7.791 262 HA CYS 40 HA CYS 40 -0.907 -8.777 7.303 263 HB2 CYS 40 1HB CYS 40 -2.644 -10.821 5.943 264 HB3 CYS 40 2HB CYS 40 -2.668 -9.136 5.437 265 HG CYS 40 HG CYS 40 0.301 -10.785 5.604 266 H LYS 41 H LYS 41 -3.759 -10.543 8.410 267 HA LYS 41 HA LYS 41 -5.657 -8.538 8.337 268 HB2 LYS 41 1HB LYS 41 -5.242 -10.954 10.027 269 HB3 LYS 41 2HB LYS 41 -6.442 -9.785 10.562 270 HG2 LYS 41 1HG LYS 41 -7.699 -10.039 8.558 271 HG3 LYS 41 2HG LYS 41 -6.419 -10.996 7.809 272 HD2 LYS 41 1HD LYS 41 -8.176 -12.471 8.542 273 HD3 LYS 41 2HD LYS 41 -6.755 -12.723 9.560 274 HE2 LYS 41 1HE LYS 41 -7.752 -11.275 11.277 275 HE3 LYS 41 2HE LYS 41 -9.177 -11.065 10.262 276 HZ1 LYS 41 1HZ LYS 41 -8.404 -13.306 11.916 277 HZ2 LYS 41 2HZ LYS 41 -8.988 -13.734 10.387 278 HZ3 LYS 41 3HZ LYS 41 -9.943 -12.801 11.427 279 H ASN 42 H ASN 42 -3.116 -9.104 10.705 280 HA ASN 42 HA ASN 42 -4.032 -7.126 12.551 281 HB2 ASN 42 1HB ASN 42 -2.671 -8.852 13.450 282 HB3 ASN 42 2HB ASN 42 -1.423 -8.606 12.232 283 HD21 ASN 42 1HD2 ASN 42 0.289 -8.090 13.441 284 HD22 ASN 42 2HD2 ASN 42 0.361 -6.752 14.532 285 H LEU 43 H LEU 43 -2.104 -7.090 9.682 286 HA LEU 43 HA LEU 43 -0.917 -4.510 10.230 287 HB2 LEU 43 1HB LEU 43 0.503 -5.789 8.952 288 HB3 LEU 43 2HB LEU 43 -0.809 -6.486 8.004 289 HG LEU 43 HG LEU 43 -1.041 -4.174 6.943 290 HD11 LEU 43 1HD1 LEU 43 1.155 -2.920 6.948 291 HD12 LEU 43 2HD1 LEU 43 1.589 -3.872 8.367 292 HD13 LEU 43 3HD1 LEU 43 0.187 -2.804 8.418 293 HD21 LEU 43 1HD2 LEU 43 -0.213 -5.726 5.483 294 HD22 LEU 43 2HD2 LEU 43 1.148 -6.146 6.524 295 HD23 LEU 43 3HD2 LEU 43 1.177 -4.645 5.597 296 H GLU 44 H GLU 44 -3.734 -5.769 8.663 297 HA GLU 44 HA GLU 44 -4.494 -4.029 6.778 298 HB2 GLU 44 1HB GLU 44 -6.188 -5.494 7.204 299 HB3 GLU 44 2HB GLU 44 -5.982 -5.392 8.947 300 HG2 GLU 44 1HG GLU 44 -7.195 -3.357 9.058 301 HG3 GLU 44 2HG GLU 44 -7.197 -3.191 7.304 302 HA PRO 45 HA PRO 45 -5.897 -0.646 9.931 303 HB2 PRO 45 1HB PRO 45 -5.148 -0.971 12.520 304 HB3 PRO 45 2HB PRO 45 -6.663 -1.610 11.871 305 HG2 PRO 45 1HG PRO 45 -4.066 -3.018 12.351 306 HG3 PRO 45 2HG PRO 45 -5.717 -3.568 12.692 307 HD2 PRO 45 1HD PRO 45 -4.328 -4.387 10.516 308 HD3 PRO 45 2HD PRO 45 -6.093 -4.196 10.507 309 H GLU 46 H GLU 46 -2.805 -2.223 10.601 310 HA GLU 46 HA GLU 46 -1.397 0.087 11.402 311 HB2 GLU 46 1HB GLU 46 -0.523 -2.568 10.284 312 HB3 GLU 46 2HB GLU 46 0.636 -1.304 10.668 313 HG2 GLU 46 1HG GLU 46 0.120 -1.380 12.959 314 HG3 GLU 46 2HG GLU 46 -1.342 -2.322 12.679 315 H TRP 47 H TRP 47 -2.176 -1.251 8.275 316 HA TRP 47 HA TRP 47 -0.356 0.503 6.864 317 HB2 TRP 47 1HB TRP 47 -0.923 -1.812 6.071 318 HB3 TRP 47 2HB TRP 47 -2.549 -1.235 5.719 319 HD1 TRP 47 HD TRP 47 -2.919 -0.009 3.455 320 HE1 TRP 47 1HE TRP 47 -1.395 0.605 1.473 321 HE3 TRP 47 3HE TRP 47 1.618 -1.073 5.559 322 HZ2 TRP 47 2HZ TRP 47 1.365 0.634 0.881 323 HZ3 TRP 47 3HZ TRP 47 3.651 -0.724 4.218 324 HH2 TRP 47 HH TRP 47 3.525 0.111 1.927 325 H ALA 48 H ALA 48 -3.761 0.363 7.670 326 HA ALA 48 HA ALA 48 -4.747 2.285 5.896 327 HB1 ALA 48 1HB ALA 48 -5.920 0.700 7.664 328 HB2 ALA 48 2HB ALA 48 -5.879 2.170 8.638 329 HB3 ALA 48 3HB ALA 48 -6.693 2.171 7.073 330 H ALA 49 H ALA 49 -3.791 2.735 9.307 331 HA ALA 49 HA ALA 49 -4.031 5.524 9.332 332 HB1 ALA 49 1HB ALA 49 -3.227 5.428 11.454 333 HB2 ALA 49 2HB ALA 49 -3.609 3.719 11.240 334 HB3 ALA 49 3HB ALA 49 -1.950 4.284 11.039 335 H ALA 50 H ALA 50 -1.136 3.500 8.871 336 HA ALA 50 HA ALA 50 0.830 5.352 8.634 337 HB1 ALA 50 1HB ALA 50 0.897 3.353 6.480 338 HB2 ALA 50 2HB ALA 50 2.076 3.704 7.745 339 HB3 ALA 50 3HB ALA 50 0.667 2.705 8.104 340 H ALA 51 H ALA 51 -1.401 4.396 6.034 341 HA ALA 51 HA ALA 51 -0.385 5.992 4.000 342 HB1 ALA 51 1HB ALA 51 -3.328 5.514 4.333 343 HB2 ALA 51 2HB ALA 51 -2.381 5.611 2.847 344 HB3 ALA 51 3HB ALA 51 -2.222 4.209 3.905 345 H SER 52 H SER 52 -2.748 6.785 6.517 346 HA SER 52 HA SER 52 -3.255 9.419 5.548 347 HB2 SER 52 1HB SER 52 -3.952 7.870 8.002 348 HB3 SER 52 2HB SER 52 -4.088 9.627 8.067 349 HG SER 52 HG SER 52 -5.267 9.206 5.920 350 H GLU 53 H GLU 53 -1.090 8.034 7.960 351 HA GLU 53 HA GLU 53 -0.164 10.565 8.928 352 HB2 GLU 53 1HB GLU 53 -0.028 8.706 10.420 353 HB3 GLU 53 2HB GLU 53 0.861 7.746 9.245 354 HG2 GLU 53 1HG GLU 53 2.838 8.782 9.678 355 HG3 GLU 53 2HG GLU 53 2.070 10.301 10.137 356 H VAL 54 H VAL 54 0.428 8.789 6.130 357 HA VAL 54 HA VAL 54 3.139 9.807 5.764 358 HB VAL 54 HB VAL 54 1.434 7.885 4.203 359 HG11 VAL 54 1HG1 VAL 54 3.964 9.256 3.330 360 HG12 VAL 54 2HG1 VAL 54 3.430 7.717 2.650 361 HG13 VAL 54 3HG1 VAL 54 2.424 9.156 2.478 362 HG21 VAL 54 1HG2 VAL 54 2.581 6.372 5.352 363 HG22 VAL 54 2HG2 VAL 54 4.087 6.997 4.679 364 HG23 VAL 54 3HG2 VAL 54 3.455 7.657 6.187 365 H LYS 55 H LYS 55 -0.071 10.058 4.283 366 HA LYS 55 HA LYS 55 0.730 11.903 2.267 367 HB2 LYS 55 1HB LYS 55 -1.481 11.911 1.595 368 HB3 LYS 55 2HB LYS 55 -1.377 10.357 2.411 369 HG2 LYS 55 1HG LYS 55 -2.422 11.255 4.376 370 HG3 LYS 55 2HG LYS 55 -2.394 12.883 3.694 371 HD2 LYS 55 1HD LYS 55 -3.800 11.927 1.792 372 HD3 LYS 55 2HD LYS 55 -4.036 10.517 2.827 373 HE2 LYS 55 1HE LYS 55 -5.857 11.731 3.452 374 HE3 LYS 55 2HE LYS 55 -4.682 12.389 4.589 375 HZ1 LYS 55 1HZ LYS 55 -5.007 13.673 1.968 376 HZ2 LYS 55 2HZ LYS 55 -4.534 14.350 3.443 377 HZ3 LYS 55 3HZ LYS 55 -6.159 13.967 3.172 378 H GLU 56 H GLU 56 -0.245 12.197 5.580 379 HA GLU 56 HA GLU 56 -0.902 14.988 5.444 380 HB2 GLU 56 1HB GLU 56 -1.263 14.875 7.768 381 HB3 GLU 56 2HB GLU 56 -1.759 13.302 7.159 382 HG2 GLU 56 1HG GLU 56 0.496 12.436 7.799 383 HG3 GLU 56 2HG GLU 56 0.797 13.985 8.583 384 H GLN 57 H GLN 57 1.973 13.118 5.898 385 HA GLN 57 HA GLN 57 3.473 15.444 6.840 386 HB2 GLN 57 1HB GLN 57 4.185 12.526 6.575 387 HB3 GLN 57 2HB GLN 57 5.366 13.761 6.990 388 HG2 GLN 57 1HG GLN 57 4.017 14.347 8.965 389 HG3 GLN 57 2HG GLN 57 2.903 13.041 8.563 390 HE21 GLN 57 1HE2 GLN 57 4.216 10.912 8.081 391 HE22 GLN 57 2HE2 GLN 57 5.339 10.484 9.323 392 H THR 58 H THR 58 3.230 13.252 4.099 393 HA THR 58 HA THR 58 5.417 14.546 2.701 394 HB THR 58 HB THR 58 5.003 12.961 0.909 395 HG1 THR 58 1HG THR 58 2.658 12.388 2.405 396 HG21 THR 58 1HG2 THR 58 4.634 11.129 3.181 397 HG22 THR 58 2HG2 THR 58 5.923 12.315 3.382 398 HG23 THR 58 3HG2 THR 58 5.939 11.221 1.999 399 H LYS 59 H LYS 59 2.352 15.434 3.302 400 HA LYS 59 HA LYS 59 0.914 16.939 2.386 401 HB2 LYS 59 1HB LYS 59 3.343 17.492 0.685 402 HB3 LYS 59 2HB LYS 59 1.854 18.417 0.546 403 HG2 LYS 59 1HG LYS 59 2.982 19.751 1.992 404 HG3 LYS 59 2HG LYS 59 2.201 18.678 3.156 405 HD2 LYS 59 1HD LYS 59 4.150 17.585 3.661 406 HD3 LYS 59 2HD LYS 59 4.860 17.893 2.075 407 HE2 LYS 59 1HE LYS 59 5.506 20.049 2.644 408 HE3 LYS 59 2HE LYS 59 4.344 20.154 3.966 409 HZ1 LYS 59 1HZ LYS 59 7.039 19.314 4.040 410 HZ2 LYS 59 2HZ LYS 59 6.044 18.054 4.573 411 HZ3 LYS 59 3HZ LYS 59 5.970 19.567 5.327 412 H GLY 60 H GLY 60 0.781 14.245 1.510 413 HA2 GLY 60 1HA GLY 60 -0.619 13.154 0.010 414 HA3 GLY 60 2HA GLY 60 -0.740 14.642 -0.917 415 H LYS 61 H LYS 61 2.391 14.551 -0.690 416 HA LYS 61 HA LYS 61 2.946 13.801 -3.281 417 HB2 LYS 61 1HB LYS 61 4.444 15.045 -1.649 418 HB3 LYS 61 2HB LYS 61 4.902 13.472 -1.008 419 HG2 LYS 61 1HG LYS 61 5.634 14.771 -3.556 420 HG3 LYS 61 2HG LYS 61 6.584 13.729 -2.494 421 HD2 LYS 61 1HD LYS 61 5.404 11.774 -3.305 422 HD3 LYS 61 2HD LYS 61 4.352 12.787 -4.295 423 HE2 LYS 61 1HE LYS 61 7.334 12.831 -4.626 424 HE3 LYS 61 2HE LYS 61 6.340 11.616 -5.429 425 HZ1 LYS 61 1HZ LYS 61 6.709 14.381 -6.074 426 HZ2 LYS 61 2HZ LYS 61 5.073 13.962 -5.974 427 HZ3 LYS 61 3HZ LYS 61 6.098 13.125 -7.028 428 H VAL 62 H VAL 62 3.970 11.853 -0.475 429 HA VAL 62 HA VAL 62 4.088 9.483 -2.134 430 HB VAL 62 HB VAL 62 4.593 9.768 0.832 431 HG11 VAL 62 1HG1 VAL 62 4.342 7.514 0.626 432 HG12 VAL 62 2HG1 VAL 62 4.780 7.509 -1.084 433 HG13 VAL 62 3HG1 VAL 62 6.035 7.647 0.148 434 HG21 VAL 62 1HG2 VAL 62 7.003 9.642 0.113 435 HG22 VAL 62 2HG2 VAL 62 6.447 9.915 -1.538 436 HG23 VAL 62 3HG2 VAL 62 6.169 11.140 -0.300 437 H LYS 63 H LYS 63 2.452 8.134 -2.423 438 HA LYS 63 HA LYS 63 0.242 8.158 -0.480 439 HB2 LYS 63 1HB LYS 63 0.265 7.387 -3.403 440 HB3 LYS 63 2HB LYS 63 -1.129 7.222 -2.342 441 HG2 LYS 63 1HG LYS 63 -1.346 9.559 -2.102 442 HG3 LYS 63 2HG LYS 63 0.238 9.853 -2.822 443 HD2 LYS 63 1HD LYS 63 -1.135 10.332 -4.600 444 HD3 LYS 63 2HD LYS 63 -0.823 8.618 -4.883 445 HE2 LYS 63 1HE LYS 63 -3.169 9.012 -5.161 446 HE3 LYS 63 2HE LYS 63 -2.934 8.102 -3.669 447 HZ1 LYS 63 1HZ LYS 63 -3.309 10.020 -2.380 448 HZ2 LYS 63 2HZ LYS 63 -4.534 10.010 -3.545 449 HZ3 LYS 63 3HZ LYS 63 -3.212 11.051 -3.719 450 H LEU 64 H LEU 64 -0.862 6.100 -0.102 451 HA LEU 64 HA LEU 64 0.920 3.777 -0.415 452 HB2 LEU 64 1HB LEU 64 -0.398 4.873 2.007 453 HB3 LEU 64 2HB LEU 64 -0.315 3.120 1.847 454 HG LEU 64 HG LEU 64 2.169 3.350 1.599 455 HD11 LEU 64 1HD1 LEU 64 3.203 5.430 2.343 456 HD12 LEU 64 2HD1 LEU 64 1.614 6.182 2.472 457 HD13 LEU 64 3HD1 LEU 64 2.228 5.685 0.895 458 HD21 LEU 64 1HD2 LEU 64 0.777 4.232 4.115 459 HD22 LEU 64 2HD2 LEU 64 2.511 3.914 4.045 460 HD23 LEU 64 3HD2 LEU 64 1.361 2.622 3.693 461 H ALA 65 H ALA 65 0.006 2.064 -1.338 462 HA ALA 65 HA ALA 65 -2.931 1.841 -1.294 463 HB1 ALA 65 1HB ALA 65 -3.091 1.552 -3.537 464 HB2 ALA 65 2HB ALA 65 -1.642 2.558 -3.515 465 HB3 ALA 65 3HB ALA 65 -1.497 0.807 -3.668 466 H ALA 66 H ALA 66 -3.685 -0.400 -1.840 467 HA ALA 66 HA ALA 66 -1.779 -2.445 -0.919 468 HB1 ALA 66 1HB ALA 66 -3.548 -3.499 0.393 469 HB2 ALA 66 2HB ALA 66 -3.241 -1.851 0.942 470 HB3 ALA 66 3HB ALA 66 -4.656 -2.201 -0.050 471 H VAL 67 H VAL 67 -2.148 -4.568 -1.688 472 HA VAL 67 HA VAL 67 -4.105 -4.822 -3.865 473 HB VAL 67 HB VAL 67 -1.223 -5.713 -4.048 474 HG11 VAL 67 1HG1 VAL 67 -3.627 -6.160 -5.759 475 HG12 VAL 67 2HG1 VAL 67 -2.036 -6.032 -6.512 476 HG13 VAL 67 3HG1 VAL 67 -2.343 -7.282 -5.306 477 HG21 VAL 67 1HG2 VAL 67 -0.758 -3.711 -4.886 478 HG22 VAL 67 2HG2 VAL 67 -1.984 -3.939 -6.133 479 HG23 VAL 67 3HG2 VAL 67 -2.419 -3.197 -4.594 480 H ASP 68 H ASP 68 -4.739 -6.982 -4.350 481 HA ASP 68 HA ASP 68 -4.332 -8.819 -2.090 482 HB2 ASP 68 1HB ASP 68 -6.557 -8.816 -4.139 483 HB3 ASP 68 2HB ASP 68 -6.449 -9.846 -2.714 484 H ALA 69 H ALA 69 -2.543 -9.967 -2.669 485 HA ALA 69 HA ALA 69 -1.775 -10.807 -5.183 486 HB1 ALA 69 1HB ALA 69 -0.383 -12.443 -4.092 487 HB2 ALA 69 2HB ALA 69 -0.386 -10.956 -3.142 488 HB3 ALA 69 3HB ALA 69 -1.350 -12.337 -2.621 489 H THR 70 H THR 70 -4.443 -11.851 -3.350 490 HA THR 70 HA THR 70 -4.657 -14.508 -4.368 491 HB THR 70 HB THR 70 -6.925 -14.495 -3.460 492 HG1 THR 70 1HG THR 70 -6.596 -11.845 -2.567 493 HG21 THR 70 1HG2 THR 70 -5.063 -14.866 -1.913 494 HG22 THR 70 2HG2 THR 70 -6.389 -14.019 -1.116 495 HG23 THR 70 3HG2 THR 70 -4.953 -13.131 -1.623 496 H VAL 71 H VAL 71 -5.764 -11.358 -5.419 497 HA VAL 71 HA VAL 71 -7.185 -12.600 -7.674 498 HB VAL 71 HB VAL 71 -7.331 -9.752 -6.673 499 HG11 VAL 71 1HG1 VAL 71 -8.250 -11.055 -9.114 500 HG12 VAL 71 2HG1 VAL 71 -9.536 -10.217 -8.243 501 HG13 VAL 71 3HG1 VAL 71 -8.086 -9.341 -8.737 502 HG21 VAL 71 1HG2 VAL 71 -8.327 -11.444 -5.152 503 HG22 VAL 71 2HG2 VAL 71 -9.508 -10.315 -5.815 504 HG23 VAL 71 3HG2 VAL 71 -9.388 -11.949 -6.468 505 H ASN 72 H ASN 72 -4.541 -10.498 -6.814 506 HA ASN 72 HA ASN 72 -4.043 -9.731 -9.570 507 HB2 ASN 72 1HB ASN 72 -2.936 -8.969 -6.910 508 HB3 ASN 72 2HB ASN 72 -1.898 -8.764 -8.318 509 HD21 ASN 72 1HD2 ASN 72 -5.125 -8.012 -7.092 510 HD22 ASN 72 2HD2 ASN 72 -5.272 -6.495 -7.905 511 H GLN 73 H GLN 73 -3.131 -11.186 -10.863 512 HA GLN 73 HA GLN 73 -1.043 -12.941 -9.755 513 HB2 GLN 73 1HB GLN 73 -2.748 -13.341 -12.219 514 HB3 GLN 73 2HB GLN 73 -1.536 -14.463 -11.617 515 HG2 GLN 73 1HG GLN 73 -3.739 -13.651 -9.798 516 HG3 GLN 73 2HG GLN 73 -4.090 -14.787 -11.099 517 HE21 GLN 73 1HE2 GLN 73 -3.144 -14.518 -7.956 518 HE22 GLN 73 2HE2 GLN 73 -2.407 -16.066 -7.746 519 H VAL 74 H VAL 74 -1.827 -10.649 -12.269 520 HA VAL 74 HA VAL 74 0.355 -11.041 -13.976 521 HB VAL 74 HB VAL 74 -1.050 -8.436 -13.365 522 HG11 VAL 74 1HG1 VAL 74 0.413 -7.515 -14.758 523 HG12 VAL 74 2HG1 VAL 74 1.163 -9.081 -15.074 524 HG13 VAL 74 3HG1 VAL 74 -0.214 -8.550 -16.040 525 HG21 VAL 74 1HG2 VAL 74 -2.339 -10.580 -14.203 526 HG22 VAL 74 2HG2 VAL 74 -2.694 -8.983 -14.860 527 HG23 VAL 74 3HG2 VAL 74 -1.661 -10.095 -15.758 528 H LEU 75 H LEU 75 0.030 -9.107 -11.040 529 HA LEU 75 HA LEU 75 2.726 -8.075 -11.268 530 HB2 LEU 75 1HB LEU 75 0.805 -7.852 -8.959 531 HB3 LEU 75 2HB LEU 75 2.258 -6.891 -9.224 532 HG LEU 75 HG LEU 75 -0.157 -6.821 -11.027 533 HD11 LEU 75 1HD1 LEU 75 -0.957 -4.961 -9.896 534 HD12 LEU 75 2HD1 LEU 75 0.572 -4.682 -9.065 535 HD13 LEU 75 3HD1 LEU 75 -0.455 -6.033 -8.589 536 HD21 LEU 75 1HD2 LEU 75 2.307 -5.099 -10.797 537 HD22 LEU 75 2HD2 LEU 75 0.893 -4.691 -11.769 538 HD23 LEU 75 3HD2 LEU 75 1.843 -6.127 -12.154 539 H ALA 76 H ALA 76 0.970 -10.065 -8.883 540 HA ALA 76 HA ALA 76 3.032 -10.772 -7.230 541 HB1 ALA 76 1HB ALA 76 0.497 -12.063 -8.028 542 HB2 ALA 76 2HB ALA 76 1.685 -13.084 -7.218 543 HB3 ALA 76 3HB ALA 76 1.094 -11.622 -6.428 544 H SER 77 H SER 77 2.465 -11.823 -10.488 545 HA SER 77 HA SER 77 4.405 -13.982 -10.301 546 HB2 SER 77 1HB SER 77 2.211 -13.973 -11.710 547 HB3 SER 77 2HB SER 77 3.161 -13.046 -12.871 548 HG SER 77 HG SER 77 3.541 -15.086 -13.467 549 H ARG 78 H ARG 78 4.123 -10.737 -11.594 550 HA ARG 78 HA ARG 78 6.438 -10.736 -13.196 551 HB2 ARG 78 1HB ARG 78 4.646 -9.017 -13.298 552 HB3 ARG 78 2HB ARG 78 5.188 -8.399 -11.743 553 HG2 ARG 78 1HG ARG 78 7.420 -7.970 -12.791 554 HG3 ARG 78 2HG ARG 78 6.694 -8.384 -14.345 555 HD2 ARG 78 1HD ARG 78 4.907 -6.606 -13.638 556 HD3 ARG 78 2HD ARG 78 6.193 -6.033 -12.576 557 HE ARG 78 HE ARG 78 7.172 -5.103 -14.405 558 HH11 ARG 78 2HH1 ARG 78 5.150 -7.730 -15.467 559 HH12 ARG 78 1HH1 ARG 78 5.447 -7.451 -17.151 560 HH21 ARG 78 2HH2 ARG 78 7.571 -4.725 -16.619 561 HH22 ARG 78 1HH2 ARG 78 6.825 -5.741 -17.805 562 H TYR 79 H TYR 79 5.916 -9.904 -9.796 563 HA TYR 79 HA TYR 79 8.820 -9.601 -9.460 564 HB2 TYR 79 1HB TYR 79 6.655 -8.827 -7.499 565 HB3 TYR 79 2HB TYR 79 8.356 -8.378 -7.442 566 HD1 TYR 79 2HD TYR 79 5.208 -7.887 -9.332 567 HD2 TYR 79 1HD TYR 79 9.149 -6.469 -8.586 568 HE1 TYR 79 2HE TYR 79 4.703 -5.837 -10.594 569 HE2 TYR 79 1HE TYR 79 8.655 -4.415 -9.845 570 HH TYR 79 HH TYR 79 7.162 -3.317 -11.065 571 H GLY 80 H GLY 80 6.164 -11.647 -8.759 572 HA2 GLY 80 1HA GLY 80 6.269 -13.815 -7.911 573 HA3 GLY 80 2HA GLY 80 7.926 -13.513 -7.410 574 H ILE 81 H ILE 81 4.933 -11.768 -6.625 575 HA ILE 81 HA ILE 81 5.650 -11.641 -3.855 576 HB ILE 81 HB ILE 81 3.006 -10.937 -5.131 577 HG12 ILE 81 1HG1 ILE 81 4.968 -9.744 -6.127 578 HG13 ILE 81 2HG1 ILE 81 3.823 -8.677 -5.322 579 HG21 ILE 81 1HG2 ILE 81 2.330 -10.518 -3.061 580 HG22 ILE 81 2HG2 ILE 81 3.910 -10.969 -2.422 581 HG23 ILE 81 3HG2 ILE 81 3.601 -9.305 -2.915 582 HD11 ILE 81 1HD1 ILE 81 6.471 -8.545 -4.976 583 HD12 ILE 81 2HD1 ILE 81 5.304 -8.066 -3.743 584 HD13 ILE 81 3HD1 ILE 81 6.057 -9.660 -3.674 585 H ARG 82 H ARG 82 5.656 -13.571 -2.826 586 HA ARG 82 HA ARG 82 3.111 -15.052 -2.776 587 HB2 ARG 82 1HB ARG 82 5.921 -16.147 -2.870 588 HB3 ARG 82 2HB ARG 82 4.538 -17.115 -2.378 589 HG2 ARG 82 1HG ARG 82 3.677 -17.216 -4.488 590 HG3 ARG 82 2HG ARG 82 4.394 -15.678 -4.973 591 HD2 ARG 82 1HD ARG 82 6.409 -16.625 -5.496 592 HD3 ARG 82 2HD ARG 82 6.219 -17.932 -4.328 593 HE ARG 82 HE ARG 82 4.306 -18.269 -6.337 594 HH11 ARG 82 2HH1 ARG 82 7.762 -18.372 -5.930 595 HH12 ARG 82 1HH1 ARG 82 8.007 -19.530 -7.195 596 HH21 ARG 82 2HH2 ARG 82 4.616 -19.793 -8.006 597 HH22 ARG 82 1HH2 ARG 82 6.218 -20.337 -8.376 598 H GLY 83 H GLY 83 5.853 -13.791 -1.053 599 HA2 GLY 83 1HA GLY 83 4.912 -14.947 1.471 600 HA3 GLY 83 2HA GLY 83 6.441 -14.118 1.221 601 H PHE 84 H PHE 84 3.085 -13.779 1.989 602 HA PHE 84 HA PHE 84 3.321 -10.867 2.148 603 HB2 PHE 84 1HB PHE 84 0.804 -12.282 2.888 604 HB3 PHE 84 2HB PHE 84 1.025 -10.750 2.049 605 HD1 PHE 84 2HD PHE 84 2.736 -11.461 -0.186 606 HD2 PHE 84 1HD PHE 84 -0.519 -13.597 1.535 607 HE1 PHE 84 2HE PHE 84 2.338 -12.583 -2.339 608 HE2 PHE 84 1HE PHE 84 -0.921 -14.723 -0.615 609 HZ PHE 84 HZ PHE 84 0.508 -14.216 -2.556 610 HA PRO 85 HA PRO 85 1.817 -9.354 3.214 611 HB2 PRO 85 1HB PRO 85 2.830 -7.277 4.639 612 HB3 PRO 85 2HB PRO 85 1.337 -8.111 5.087 613 HG2 PRO 85 1HG PRO 85 4.102 -8.456 6.183 614 HG3 PRO 85 2HG PRO 85 2.556 -8.380 7.049 615 HD2 PRO 85 1HD PRO 85 3.818 -10.717 6.521 616 HD3 PRO 85 2HD PRO 85 2.049 -10.582 6.592 617 H THR 86 H THR 86 2.771 -7.917 1.737 618 HA THR 86 HA THR 86 5.709 -7.913 1.629 619 HB THR 86 HB THR 86 4.147 -8.133 -0.917 620 HG1 THR 86 1HG THR 86 5.158 -10.459 0.303 621 HG21 THR 86 1HG2 THR 86 6.268 -7.906 -1.625 622 HG22 THR 86 2HG2 THR 86 6.460 -9.590 -1.137 623 HG23 THR 86 3HG2 THR 86 6.934 -8.294 -0.039 624 H ILE 87 H ILE 87 6.428 -5.896 1.597 625 HA ILE 87 HA ILE 87 4.721 -3.808 0.409 626 HB ILE 87 HB ILE 87 6.839 -3.496 2.540 627 HG12 ILE 87 1HG1 ILE 87 3.940 -2.923 2.977 628 HG13 ILE 87 2HG1 ILE 87 4.475 -4.600 3.004 629 HG21 ILE 87 1HG2 ILE 87 4.892 -1.350 1.977 630 HG22 ILE 87 2HG2 ILE 87 6.592 -1.251 2.432 631 HG23 ILE 87 3HG2 ILE 87 6.145 -1.611 0.765 632 HD11 ILE 87 1HD1 ILE 87 5.650 -2.423 4.712 633 HD12 ILE 87 2HD1 ILE 87 4.379 -3.530 5.232 634 HD13 ILE 87 3HD1 ILE 87 5.974 -4.154 4.811 635 H LYS 88 H LYS 88 5.450 -2.787 -1.334 636 HA LYS 88 HA LYS 88 8.341 -2.722 -1.850 637 HB2 LYS 88 1HB LYS 88 6.234 -3.383 -3.917 638 HB3 LYS 88 2HB LYS 88 7.960 -3.222 -4.216 639 HG2 LYS 88 1HG LYS 88 7.080 -5.190 -2.176 640 HG3 LYS 88 2HG LYS 88 6.814 -5.573 -3.879 641 HD2 LYS 88 1HD LYS 88 9.209 -5.164 -4.313 642 HD3 LYS 88 2HD LYS 88 9.450 -4.865 -2.590 643 HE2 LYS 88 1HE LYS 88 8.169 -7.414 -3.454 644 HE3 LYS 88 2HE LYS 88 9.913 -7.233 -3.635 645 HZ1 LYS 88 1HZ LYS 88 8.302 -7.364 -1.192 646 HZ2 LYS 88 2HZ LYS 88 9.716 -6.437 -1.165 647 HZ3 LYS 88 3HZ LYS 88 9.792 -8.085 -1.540 648 H ILE 89 H ILE 89 9.101 -0.875 -2.811 649 HA ILE 89 HA ILE 89 7.146 1.303 -3.089 650 HB ILE 89 HB ILE 89 10.130 1.440 -2.637 651 HG12 ILE 89 1HG1 ILE 89 9.413 2.443 -0.444 652 HG13 ILE 89 2HG1 ILE 89 7.762 1.977 -0.835 653 HG21 ILE 89 1HG2 ILE 89 10.071 3.560 -3.286 654 HG22 ILE 89 2HG2 ILE 89 8.388 3.350 -3.767 655 HG23 ILE 89 3HG2 ILE 89 8.777 3.900 -2.137 656 HD11 ILE 89 1HD1 ILE 89 9.653 -0.221 -1.063 657 HD12 ILE 89 2HD1 ILE 89 9.567 0.470 0.557 658 HD13 ILE 89 3HD1 ILE 89 8.105 -0.133 -0.223 659 H PHE 90 H PHE 90 6.988 2.485 -4.937 660 HA PHE 90 HA PHE 90 8.787 1.781 -7.156 661 HB2 PHE 90 1HB PHE 90 5.794 2.178 -7.360 662 HB3 PHE 90 2HB PHE 90 6.885 1.842 -8.700 663 HD1 PHE 90 1HD PHE 90 5.665 0.430 -5.488 664 HD2 PHE 90 2HD PHE 90 7.317 -0.347 -9.333 665 HE1 PHE 90 1HE PHE 90 5.345 -1.984 -5.134 666 HE2 PHE 90 2HE PHE 90 6.999 -2.762 -8.986 667 HZ PHE 90 HZ PHE 90 6.011 -3.583 -6.885 668 H GLN 91 H GLN 91 9.651 3.468 -8.187 669 HA GLN 91 HA GLN 91 8.357 6.095 -7.925 670 HB2 GLN 91 1HB GLN 91 11.318 5.553 -7.641 671 HB3 GLN 91 2HB GLN 91 10.561 7.140 -7.626 672 HG2 GLN 91 1HG GLN 91 10.745 6.815 -5.396 673 HG3 GLN 91 2HG GLN 91 9.175 6.053 -5.652 674 HE21 GLN 91 1HE2 GLN 91 11.892 5.699 -4.006 675 HE22 GLN 91 2HE2 GLN 91 12.011 3.977 -3.925 676 H LYS 92 H LYS 92 8.231 7.247 -9.759 677 HA LYS 92 HA LYS 92 8.768 6.067 -12.245 678 HB2 LYS 92 1HB LYS 92 7.094 7.905 -11.723 679 HB3 LYS 92 2HB LYS 92 8.447 9.028 -11.764 680 HG2 LYS 92 1HG LYS 92 8.863 8.554 -14.067 681 HG3 LYS 92 2HG LYS 92 7.690 7.235 -14.059 682 HD2 LYS 92 1HD LYS 92 6.099 9.220 -13.236 683 HD3 LYS 92 2HD LYS 92 7.262 10.165 -14.170 684 HE2 LYS 92 1HE LYS 92 6.841 8.245 -15.943 685 HE3 LYS 92 2HE LYS 92 5.316 8.103 -15.070 686 HZ1 LYS 92 1HZ LYS 92 4.583 10.060 -15.857 687 HZ2 LYS 92 2HZ LYS 92 5.713 9.794 -17.087 688 HZ3 LYS 92 3HZ LYS 92 6.102 10.802 -15.785 689 H GLY 93 H GLY 93 10.366 6.387 -13.774 690 HA2 GLY 93 1HA GLY 93 12.340 7.296 -14.661 691 HA3 GLY 93 2HA GLY 93 12.579 8.182 -13.162 692 H GLU 94 H GLU 94 12.388 6.056 -11.342 693 HA GLU 94 HA GLU 94 14.783 4.494 -12.058 694 HB2 GLU 94 1HB GLU 94 13.910 5.515 -9.350 695 HB3 GLU 94 2HB GLU 94 15.274 4.439 -9.617 696 HG2 GLU 94 1HG GLU 94 15.004 7.214 -10.750 697 HG3 GLU 94 2HG GLU 94 15.953 6.777 -9.331 698 H SER 95 H SER 95 14.975 2.396 -10.921 699 HA SER 95 HA SER 95 12.552 0.903 -11.218 700 HB2 SER 95 1HB SER 95 13.874 -1.024 -10.948 701 HB3 SER 95 2HB SER 95 14.964 0.130 -11.717 702 HG SER 95 HG SER 95 15.484 -1.158 -9.580 703 HA PRO 96 HA PRO 96 11.019 0.903 -7.105 704 HB2 PRO 96 1HB PRO 96 9.917 -1.574 -6.965 705 HB3 PRO 96 2HB PRO 96 9.209 -0.260 -7.912 706 HG2 PRO 96 1HG PRO 96 10.917 -2.544 -8.823 707 HG3 PRO 96 2HG PRO 96 9.460 -1.867 -9.574 708 HD2 PRO 96 1HD PRO 96 11.956 -1.279 -10.445 709 HD3 PRO 96 2HD PRO 96 10.615 -0.119 -10.535 710 H VAL 97 H VAL 97 11.203 -0.129 -5.005 711 HA VAL 97 HA VAL 97 13.528 -1.924 -4.770 712 HB VAL 97 HB VAL 97 13.878 -0.703 -2.505 713 HG11 VAL 97 1HG1 VAL 97 15.668 -0.470 -3.893 714 HG12 VAL 97 2HG1 VAL 97 14.690 0.121 -5.238 715 HG13 VAL 97 3HG1 VAL 97 15.098 1.198 -3.901 716 HG21 VAL 97 1HG2 VAL 97 12.149 1.224 -4.018 717 HG22 VAL 97 2HG2 VAL 97 12.022 0.704 -2.338 718 HG23 VAL 97 3HG2 VAL 97 13.325 1.786 -2.830 719 H ASP 98 H ASP 98 13.579 -2.565 -2.220 720 HA ASP 98 HA ASP 98 10.901 -3.667 -1.673 721 HB2 ASP 98 1HB ASP 98 11.904 -5.619 -0.784 722 HB3 ASP 98 2HB ASP 98 12.785 -5.279 -2.271 723 H TYR 99 H TYR 99 9.927 -2.802 0.024 724 HA TYR 99 HA TYR 99 10.944 -0.949 1.765 725 HB2 TYR 99 1HB TYR 99 8.563 -1.346 1.596 726 HB3 TYR 99 2HB TYR 99 8.746 -2.966 2.260 727 HD1 TYR 99 1HD TYR 99 9.472 0.588 3.166 728 HD2 TYR 99 2HD TYR 99 8.307 -3.279 4.505 729 HE1 TYR 99 1HE TYR 99 9.122 1.484 5.429 730 HE2 TYR 99 2HE TYR 99 7.953 -2.393 6.772 731 HH TYR 99 HH TYR 99 8.244 -0.631 8.127 732 H ASP 100 H ASP 100 11.578 -1.020 3.981 733 HA ASP 100 HA ASP 100 13.612 -2.788 4.588 734 HB2 ASP 100 1HB ASP 100 12.920 -0.527 5.695 735 HB3 ASP 100 2HB ASP 100 11.986 -1.549 6.784 736 H GLY 101 H GLY 101 10.484 -2.740 6.310 737 HA2 GLY 101 1HA GLY 101 9.622 -5.286 5.992 738 HA3 GLY 101 2HA GLY 101 10.889 -5.460 7.197 739 H GLY 102 H GLY 102 10.050 -2.582 8.035 740 HA2 GLY 102 1HA GLY 102 8.498 -3.360 10.256 741 HA3 GLY 102 2HA GLY 102 8.793 -1.705 9.744 742 H ARG 103 H ARG 103 6.575 -4.342 9.760 743 HA ARG 103 HA ARG 103 4.729 -3.114 7.905 744 HB2 ARG 103 1HB ARG 103 3.275 -5.009 8.414 745 HB3 ARG 103 2HB ARG 103 4.903 -5.558 8.041 746 HG2 ARG 103 1HG ARG 103 5.370 -5.921 10.371 747 HG3 ARG 103 2HG ARG 103 3.815 -5.223 10.827 748 HD2 ARG 103 1HD ARG 103 2.647 -7.027 9.698 749 HD3 ARG 103 2HD ARG 103 4.180 -7.702 9.149 750 HE ARG 103 HE ARG 103 3.910 -7.439 12.015 751 HH11 ARG 103 2HH1 ARG 103 3.494 -9.483 9.228 752 HH12 ARG 103 1HH1 ARG 103 3.524 -10.955 10.141 753 HH21 ARG 103 2HH2 ARG 103 3.951 -9.370 13.228 754 HH22 ARG 103 1HH2 ARG 103 3.783 -10.890 12.416 755 H THR 104 H THR 104 5.421 -1.471 10.115 756 HA THR 104 HA THR 104 2.807 -1.278 11.462 757 HB THR 104 HB THR 104 4.022 -0.210 13.384 758 HG1 THR 104 1HG THR 104 6.332 -0.831 13.439 759 HG21 THR 104 1HG2 THR 104 3.308 -2.446 13.699 760 HG22 THR 104 2HG2 THR 104 4.991 -2.402 14.224 761 HG23 THR 104 3HG2 THR 104 4.575 -3.078 12.649 762 H ARG 105 H ARG 105 1.782 0.623 11.297 763 HA ARG 105 HA ARG 105 2.225 2.530 9.472 764 HB2 ARG 105 1HB ARG 105 0.659 3.837 10.534 765 HB3 ARG 105 2HB ARG 105 0.364 2.291 11.318 766 HG2 ARG 105 1HG ARG 105 1.928 3.066 13.145 767 HG3 ARG 105 2HG ARG 105 1.846 4.665 12.403 768 HD2 ARG 105 1HD ARG 105 -0.573 4.688 12.692 769 HD3 ARG 105 2HD ARG 105 -0.517 3.069 13.388 770 HE ARG 105 HE ARG 105 1.137 4.919 14.802 771 HH11 ARG 105 2HH1 ARG 105 -2.135 3.800 14.404 772 HH12 ARG 105 1HH1 ARG 105 -2.628 4.271 15.997 773 HH21 ARG 105 2HH2 ARG 105 0.501 5.542 16.902 774 HH22 ARG 105 1HH2 ARG 105 -1.128 5.262 17.417 775 H SER 106 H SER 106 3.802 2.349 12.608 776 HA SER 106 HA SER 106 5.030 4.877 12.587 777 HB2 SER 106 1HB SER 106 6.593 3.903 14.249 778 HB3 SER 106 2HB SER 106 4.909 3.534 14.619 779 HG SER 106 HG SER 106 5.220 1.470 13.765 780 H ASP 107 H ASP 107 6.302 1.697 11.612 781 HA ASP 107 HA ASP 107 8.746 2.784 10.605 782 HB2 ASP 107 1HB ASP 107 7.468 0.074 10.184 783 HB3 ASP 107 2HB ASP 107 9.106 0.501 9.698 784 H ILE 108 H ILE 108 5.874 1.380 9.030 785 HA ILE 108 HA ILE 108 6.543 1.656 6.398 786 HB ILE 108 HB ILE 108 3.839 2.237 7.613 787 HG12 ILE 108 1HG1 ILE 108 4.671 -0.324 6.282 788 HG13 ILE 108 2HG1 ILE 108 5.042 -0.044 7.980 789 HG21 ILE 108 1HG2 ILE 108 2.960 2.442 5.565 790 HG22 ILE 108 2HG2 ILE 108 4.614 2.771 5.050 791 HG23 ILE 108 3HG2 ILE 108 3.953 1.142 4.906 792 HD11 ILE 108 1HD1 ILE 108 2.830 -1.260 7.187 793 HD12 ILE 108 2HD1 ILE 108 2.879 -0.237 8.623 794 HD13 ILE 108 3HD1 ILE 108 2.251 0.404 7.105 795 H VAL 109 H VAL 109 5.088 4.165 8.458 796 HA VAL 109 HA VAL 109 5.100 6.164 6.431 797 HB VAL 109 HB VAL 109 4.895 6.413 9.434 798 HG11 VAL 109 1HG1 VAL 109 4.921 8.631 9.265 799 HG12 VAL 109 2HG1 VAL 109 5.512 8.426 7.615 800 HG13 VAL 109 3HG1 VAL 109 3.784 8.605 7.917 801 HG21 VAL 109 1HG2 VAL 109 2.551 7.077 7.873 802 HG22 VAL 109 2HG2 VAL 109 3.083 5.422 7.576 803 HG23 VAL 109 3HG2 VAL 109 2.725 5.952 9.220 804 H SER 110 H SER 110 7.227 5.465 9.186 805 HA SER 110 HA SER 110 8.941 7.617 9.037 806 HB2 SER 110 1HB SER 110 9.211 6.126 10.860 807 HB3 SER 110 2HB SER 110 9.443 4.740 9.794 808 HG SER 110 HG SER 110 11.224 6.927 9.755 809 H ARG 111 H ARG 111 8.752 4.815 6.965 810 HA ARG 111 HA ARG 111 11.264 5.310 5.654 811 HB2 ARG 111 1HB ARG 111 10.459 3.040 5.761 812 HB3 ARG 111 2HB ARG 111 8.948 3.491 4.982 813 HG2 ARG 111 1HG ARG 111 10.213 2.440 3.318 814 HG3 ARG 111 2HG ARG 111 10.354 4.166 2.980 815 HD2 ARG 111 1HD ARG 111 12.553 4.258 3.679 816 HD3 ARG 111 2HD ARG 111 12.395 2.828 4.699 817 HE ARG 111 HE ARG 111 12.979 1.540 2.906 818 HH11 ARG 111 2HH1 ARG 111 11.984 4.675 1.763 819 HH12 ARG 111 1HH1 ARG 111 12.442 4.366 0.121 820 HH21 ARG 111 2HH2 ARG 111 13.586 1.121 0.747 821 HH22 ARG 111 1HH2 ARG 111 13.352 2.344 -0.456 822 H ALA 112 H ALA 112 7.854 5.522 4.627 823 HA ALA 112 HA ALA 112 8.072 6.512 2.121 824 HB1 ALA 112 1HB ALA 112 6.100 6.728 4.245 825 HB2 ALA 112 2HB ALA 112 6.071 8.108 3.147 826 HB3 ALA 112 3HB ALA 112 5.878 6.474 2.513 827 H LEU 113 H LEU 113 8.697 8.263 5.099 828 HA LEU 113 HA LEU 113 8.889 10.843 3.927 829 HB2 LEU 113 1HB LEU 113 9.884 9.671 6.508 830 HB3 LEU 113 2HB LEU 113 10.196 11.346 6.058 831 HG LEU 113 HG LEU 113 7.447 10.147 6.381 832 HD11 LEU 113 1HD1 LEU 113 7.330 11.294 8.491 833 HD12 LEU 113 2HD1 LEU 113 8.952 11.949 8.270 834 HD13 LEU 113 3HD1 LEU 113 8.726 10.215 8.498 835 HD21 LEU 113 1HD2 LEU 113 7.604 12.067 4.840 836 HD22 LEU 113 2HD2 LEU 113 8.336 13.019 6.132 837 HD23 LEU 113 3HD2 LEU 113 6.679 12.437 6.295 838 H ASP 114 H ASP 114 11.219 8.285 4.601 839 HA ASP 114 HA ASP 114 13.598 9.612 4.159 840 HB2 ASP 114 1HB ASP 114 13.259 7.192 4.864 841 HB3 ASP 114 2HB ASP 114 13.051 6.819 3.155 842 H LEU 115 H LEU 115 11.168 8.648 1.869 843 HA LEU 115 HA LEU 115 12.907 9.278 -0.394 844 HB2 LEU 115 1HB LEU 115 10.047 8.343 -0.459 845 HB3 LEU 115 2HB LEU 115 11.204 8.351 -1.789 846 HG LEU 115 HG LEU 115 11.715 6.686 0.647 847 HD11 LEU 115 1HD1 LEU 115 10.267 5.568 -1.715 848 HD12 LEU 115 2HD1 LEU 115 9.368 6.326 -0.401 849 HD13 LEU 115 3HD1 LEU 115 10.399 4.933 -0.074 850 HD21 LEU 115 1HD2 LEU 115 13.548 6.315 -0.572 851 HD22 LEU 115 2HD2 LEU 115 12.838 7.035 -2.017 852 HD23 LEU 115 3HD2 LEU 115 12.511 5.347 -1.620 853 H PHE 116 H PHE 116 9.905 10.348 1.137 854 HA PHE 116 HA PHE 116 9.147 12.308 -0.684 855 HB2 PHE 116 1HB PHE 116 7.565 11.827 0.970 856 HB3 PHE 116 2HB PHE 116 8.738 11.986 2.273 857 HD1 PHE 116 2HD PHE 116 6.664 13.841 -0.137 858 HD2 PHE 116 1HD PHE 116 9.168 14.081 3.296 859 HE1 PHE 116 2HE PHE 116 5.926 16.159 0.235 860 HE2 PHE 116 1HE PHE 116 8.434 16.399 3.674 861 HZ PHE 116 HZ PHE 116 6.812 17.441 2.142 862 H SER 117 H SER 117 11.595 12.361 1.813 863 HA SER 117 HA SER 117 12.014 15.167 1.840 864 HB2 SER 117 1HB SER 117 13.706 12.823 2.705 865 HB3 SER 117 2HB SER 117 14.269 14.488 2.848 866 HG SER 117 HG SER 117 13.064 14.697 4.546 867 H ASP 118 H ASP 118 12.689 12.824 -0.476 868 HA ASP 118 HA ASP 118 14.942 14.317 -1.607 869 HB2 ASP 118 1HB ASP 118 15.193 11.875 -1.411 870 HB3 ASP 118 2HB ASP 118 13.773 11.649 -2.428 871 H ASN 119 H ASN 119 11.709 13.135 -2.452 872 HA ASN 119 HA ASN 119 11.719 14.434 -5.015 873 HB2 ASN 119 1HB ASN 119 9.573 13.037 -3.416 874 HB3 ASN 119 2HB ASN 119 9.255 13.791 -4.976 875 HD21 ASN 119 1HD2 ASN 119 11.614 11.591 -3.495 876 HD22 ASN 119 2HD2 ASN 119 11.675 10.490 -4.825 877 H ALA 120 H ALA 120 9.365 14.817 -2.374 878 HA ALA 120 HA ALA 120 8.808 17.522 -3.178 879 HB1 ALA 120 1HB ALA 120 7.595 15.531 -1.460 880 HB2 ALA 120 2HB ALA 120 7.593 17.131 -0.718 881 HB3 ALA 120 3HB ALA 120 6.859 16.893 -2.304 882 HA PRO 121 HA PRO 121 11.448 19.787 -0.505 883 HB2 PRO 121 1HB PRO 121 9.839 21.792 0.369 884 HB3 PRO 121 2HB PRO 121 10.450 21.703 -1.287 885 HG2 PRO 121 1HG PRO 121 7.773 20.905 -0.211 886 HG3 PRO 121 2HG PRO 121 8.163 21.781 -1.702 887 HD2 PRO 121 1HD PRO 121 7.575 19.138 -1.676 888 HD3 PRO 121 2HD PRO 121 8.708 19.852 -2.841 889 HA PRO 122 HA PRO 122 10.565 17.931 3.483 890 HB2 PRO 122 1HB PRO 122 13.016 18.432 4.538 891 HB3 PRO 122 2HB PRO 122 12.707 17.102 3.416 892 HG2 PRO 122 1HG PRO 122 13.876 19.805 2.874 893 HG3 PRO 122 2HG PRO 122 14.390 18.221 2.265 894 HD2 PRO 122 1HD PRO 122 12.909 19.939 0.787 895 HD3 PRO 122 2HD PRO 122 12.759 18.176 0.637 896 HA PRO 123 HA PRO 123 9.451 21.497 5.838 897 HB2 PRO 123 1HB PRO 123 9.166 20.317 8.266 898 HB3 PRO 123 2HB PRO 123 7.997 20.114 6.957 899 HG2 PRO 123 1HG PRO 123 10.200 18.285 7.829 900 HG3 PRO 123 2HG PRO 123 8.533 17.890 7.369 901 HD2 PRO 123 1HD PRO 123 10.625 17.573 5.679 902 HD3 PRO 123 2HD PRO 123 8.997 17.998 5.114 903 H GLU 124 H GLU 124 11.512 22.566 5.637 904 HA GLU 124 HA GLU 124 13.753 22.017 7.227 905 HB2 GLU 124 1HB GLU 124 13.432 23.621 5.178 906 HB3 GLU 124 2HB GLU 124 13.077 24.819 6.415 907 HG2 GLU 124 1HG GLU 124 15.272 24.264 7.468 908 HG3 GLU 124 2HG GLU 124 15.620 23.255 6.065 909 H LEU 125 H LEU 125 14.177 22.336 9.311 910 HA LEU 125 HA LEU 125 12.953 24.482 10.799 911 HB2 LEU 125 1HB LEU 125 12.339 21.601 11.421 912 HB3 LEU 125 2HB LEU 125 12.087 22.920 12.562 913 HG LEU 125 HG LEU 125 10.711 22.639 9.890 914 HD11 LEU 125 1HD1 LEU 125 8.780 22.491 11.793 915 HD12 LEU 125 2HD1 LEU 125 10.101 21.621 12.570 916 HD13 LEU 125 3HD1 LEU 125 9.511 21.100 10.992 917 HD21 LEU 125 1HD2 LEU 125 10.014 24.731 10.140 918 HD22 LEU 125 2HD2 LEU 125 11.118 24.897 11.506 919 HD23 LEU 125 3HD2 LEU 125 9.449 24.393 11.777 920 H LEU 126 H LEU 126 14.241 25.154 12.423 921 HA LEU 126 HA LEU 126 16.569 23.468 13.073 922 HB2 LEU 126 1HB LEU 126 16.779 25.783 11.868 923 HB3 LEU 126 2HB LEU 126 16.550 26.423 13.494 924 HG LEU 126 HG LEU 126 18.701 24.416 12.906 925 HD11 LEU 126 1HD1 LEU 126 20.256 26.252 12.549 926 HD12 LEU 126 2HD1 LEU 126 18.931 27.411 12.649 927 HD13 LEU 126 3HD1 LEU 126 18.992 26.254 11.319 928 HD21 LEU 126 1HD2 LEU 126 19.525 26.262 14.800 929 HD22 LEU 126 2HD2 LEU 126 18.934 24.629 15.110 930 HD23 LEU 126 3HD2 LEU 126 17.821 25.997 15.169 931 H GLU 127 H GLU 127 15.990 22.456 14.920 932 HA GLU 127 HA GLU 127 15.728 24.071 17.300 933 HB2 GLU 127 1HB GLU 127 13.508 22.221 16.418 934 HB3 GLU 127 2HB GLU 127 13.662 22.861 18.048 935 HG2 GLU 127 1HG GLU 127 13.640 25.168 16.945 936 HG3 GLU 127 2HG GLU 127 13.053 24.329 15.511 937 H SER 128 H SER 128 16.627 23.093 19.022 938 HA SER 128 HA SER 128 16.830 20.215 19.190 939 HB2 SER 128 1HB SER 128 18.787 21.156 17.739 940 HB3 SER 128 2HB SER 128 19.438 21.702 19.285 941 HG SER 128 HG SER 128 20.253 19.704 19.066 942 H GLY 129 H GLY 129 17.171 19.489 21.265 943 HA2 GLY 129 1HA GLY 129 17.403 19.575 23.554 944 HA3 GLY 129 2HA GLY 129 18.176 21.142 23.359 945 HA PRO 130 HA PRO 130 13.622 21.354 24.899 946 HB2 PRO 130 1HB PRO 130 13.986 21.254 27.587 947 HB3 PRO 130 2HB PRO 130 13.667 19.818 26.607 948 HG2 PRO 130 1HG PRO 130 16.273 20.858 27.650 949 HG3 PRO 130 2HG PRO 130 15.672 19.191 27.603 950 HD2 PRO 130 1HD PRO 130 17.438 20.154 25.791 951 HD3 PRO 130 2HD PRO 130 16.230 18.918 25.384 952 H SER 131 H SER 131 12.743 23.287 25.579 953 HA SER 131 HA SER 131 14.597 25.329 26.598 954 HB2 SER 131 1HB SER 131 12.806 25.482 24.193 955 HB3 SER 131 2HB SER 131 13.189 26.944 25.101 956 HG SER 131 HG SER 131 15.312 25.280 24.416 957 H SER 132 H SER 132 13.436 27.237 27.507 958 HA SER 132 HA SER 132 10.685 26.954 28.253 959 HB2 SER 132 1HB SER 132 11.472 25.405 29.881 960 HB3 SER 132 2HB SER 132 12.847 26.429 30.294 961 HG SER 132 HG SER 132 10.299 27.510 30.609 962 H GLY 133 H GLY 133 9.825 28.906 28.668 963 HA2 GLY 133 1HA GLY 133 11.639 31.192 28.690 964 HA3 GLY 133 2HA GLY 133 9.902 31.245 28.432 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -15.426 2.196 -10.988 2 HA2 GLY 1 1HA GLY 1 -13.896 0.361 -10.614 3 HA3 GLY 1 2HA GLY 1 -12.844 1.478 -9.757 4 H SER 2 H SER 2 -13.575 -0.955 -8.661 5 HA SER 2 HA SER 2 -15.829 -0.943 -7.017 6 HB2 SER 2 1HB SER 2 -14.530 -2.970 -7.396 7 HB3 SER 2 2HB SER 2 -13.143 -2.266 -6.565 8 HG SER 2 HG SER 2 -15.539 -3.255 -5.522 9 H SER 3 H SER 3 -16.290 -0.117 -5.047 10 HA SER 3 HA SER 3 -14.696 2.055 -4.090 11 HB2 SER 3 1HB SER 3 -17.278 0.783 -3.256 12 HB3 SER 3 2HB SER 3 -16.468 1.896 -2.154 13 HG SER 3 HG SER 3 -17.048 3.503 -3.377 14 H GLY 4 H GLY 4 -12.753 1.437 -3.275 15 HA2 GLY 4 1HA GLY 4 -12.053 -0.822 -1.902 16 HA3 GLY 4 2HA GLY 4 -11.306 0.743 -1.622 17 H SER 5 H SER 5 -13.416 2.139 -0.496 18 HA SER 5 HA SER 5 -14.237 2.598 1.582 19 HB2 SER 5 1HB SER 5 -15.194 -0.179 0.996 20 HB3 SER 5 2HB SER 5 -15.519 0.527 2.579 21 HG SER 5 HG SER 5 -16.072 2.093 0.344 22 H SER 6 H SER 6 -11.535 2.051 1.633 23 HA SER 6 HA SER 6 -11.246 0.631 4.200 24 HB2 SER 6 1HB SER 6 -8.774 0.363 3.265 25 HB3 SER 6 2HB SER 6 -10.041 -0.790 2.847 26 HG SER 6 HG SER 6 -8.653 0.885 1.243 27 H GLY 7 H GLY 7 -11.289 3.578 2.856 28 HA2 GLY 7 1HA GLY 7 -10.761 5.569 3.995 29 HA3 GLY 7 2HA GLY 7 -9.596 4.680 4.964 30 H ASP 8 H ASP 8 -7.863 6.019 4.654 31 HA ASP 8 HA ASP 8 -7.060 7.247 2.309 32 HB2 ASP 8 1HB ASP 8 -5.501 6.267 4.692 33 HB3 ASP 8 2HB ASP 8 -4.713 7.094 3.351 34 H VAL 9 H VAL 9 -6.899 3.925 3.185 35 HA VAL 9 HA VAL 9 -4.786 3.141 1.447 36 HB VAL 9 HB VAL 9 -7.047 1.516 2.619 37 HG11 VAL 9 1HG1 VAL 9 -6.375 0.152 0.904 38 HG12 VAL 9 2HG1 VAL 9 -4.726 0.782 0.902 39 HG13 VAL 9 3HG1 VAL 9 -5.242 -0.339 2.163 40 HG21 VAL 9 1HG2 VAL 9 -5.622 2.469 4.324 41 HG22 VAL 9 2HG2 VAL 9 -5.308 0.738 4.194 42 HG23 VAL 9 3HG2 VAL 9 -4.182 1.895 3.484 43 H ILE 10 H ILE 10 -4.791 2.836 -0.682 44 HA ILE 10 HA ILE 10 -7.366 2.932 -2.093 45 HB ILE 10 HB ILE 10 -4.583 3.437 -3.153 46 HG12 ILE 10 1HG1 ILE 10 -6.806 5.447 -2.853 47 HG13 ILE 10 2HG1 ILE 10 -5.663 5.137 -1.551 48 HG21 ILE 10 1HG2 ILE 10 -6.513 2.490 -4.665 49 HG22 ILE 10 2HG2 ILE 10 -7.063 4.164 -4.629 50 HG23 ILE 10 3HG2 ILE 10 -5.456 3.777 -5.243 51 HD11 ILE 10 1HD1 ILE 10 -5.355 6.988 -3.525 52 HD12 ILE 10 2HD1 ILE 10 -4.055 6.322 -2.537 53 HD13 ILE 10 3HD1 ILE 10 -4.393 5.639 -4.127 54 H GLU 11 H GLU 11 -8.005 1.334 -3.454 55 HA GLU 11 HA GLU 11 -6.412 -1.124 -3.408 56 HB2 GLU 11 1HB GLU 11 -8.682 -1.384 -2.627 57 HB3 GLU 11 2HB GLU 11 -9.314 -0.626 -4.082 58 HG2 GLU 11 1HG GLU 11 -8.847 -2.476 -5.402 59 HG3 GLU 11 2HG GLU 11 -7.685 -3.128 -4.248 60 H LEU 12 H LEU 12 -5.534 -1.996 -5.193 61 HA LEU 12 HA LEU 12 -6.172 -0.749 -7.785 62 HB2 LEU 12 1HB LEU 12 -3.482 -1.820 -6.959 63 HB3 LEU 12 2HB LEU 12 -3.876 -0.961 -8.446 64 HG LEU 12 HG LEU 12 -4.139 0.343 -5.752 65 HD11 LEU 12 1HD1 LEU 12 -1.699 -0.287 -7.282 66 HD12 LEU 12 2HD1 LEU 12 -1.916 0.021 -5.560 67 HD13 LEU 12 3HD1 LEU 12 -1.844 1.370 -6.694 68 HD21 LEU 12 1HD2 LEU 12 -3.615 2.344 -7.298 69 HD22 LEU 12 2HD2 LEU 12 -5.228 1.632 -7.346 70 HD23 LEU 12 3HD2 LEU 12 -4.055 1.245 -8.606 71 H THR 13 H THR 13 -5.183 -2.234 -9.612 72 HA THR 13 HA THR 13 -5.807 -5.042 -8.994 73 HB THR 13 HB THR 13 -6.884 -5.211 -11.258 74 HG1 THR 13 1HG THR 13 -6.964 -3.487 -12.482 75 HG21 THR 13 1HG2 THR 13 -8.087 -4.870 -9.008 76 HG22 THR 13 2HG2 THR 13 -9.000 -4.572 -10.487 77 HG23 THR 13 3HG2 THR 13 -8.355 -3.217 -9.561 78 H ASP 14 H ASP 14 -5.319 -6.294 -11.268 79 HA ASP 14 HA ASP 14 -2.501 -6.260 -11.487 80 HB2 ASP 14 1HB ASP 14 -2.939 -7.840 -13.439 81 HB3 ASP 14 2HB ASP 14 -3.574 -8.336 -11.873 82 H ASP 15 H ASP 15 -4.933 -4.436 -13.025 83 HA ASP 15 HA ASP 15 -3.088 -3.650 -15.180 84 HB2 ASP 15 1HB ASP 15 -6.089 -3.323 -14.978 85 HB3 ASP 15 2HB ASP 15 -5.099 -2.733 -16.311 86 H SER 16 H SER 16 -5.442 -2.299 -12.879 87 HA SER 16 HA SER 16 -4.808 0.401 -13.314 88 HB2 SER 16 1HB SER 16 -6.122 -1.105 -11.078 89 HB3 SER 16 2HB SER 16 -5.726 0.600 -10.865 90 HG SER 16 HG SER 16 -7.062 -0.186 -13.195 91 H PHE 17 H PHE 17 -3.452 -2.004 -11.125 92 HA PHE 17 HA PHE 17 -1.976 -0.616 -9.361 93 HB2 PHE 17 1HB PHE 17 -1.698 -2.927 -9.246 94 HB3 PHE 17 2HB PHE 17 -1.298 -3.064 -10.955 95 HD1 PHE 17 2HD PHE 17 0.935 -2.018 -11.707 96 HD2 PHE 17 1HD PHE 17 -0.018 -2.916 -7.658 97 HE1 PHE 17 2HE PHE 17 3.330 -2.016 -11.147 98 HE2 PHE 17 1HE PHE 17 2.376 -2.915 -7.090 99 HZ PHE 17 HZ PHE 17 4.054 -2.466 -8.836 100 H ASP 18 H ASP 18 -1.224 -0.978 -12.788 101 HA ASP 18 HA ASP 18 1.166 0.666 -12.511 102 HB2 ASP 18 1HB ASP 18 1.786 -0.053 -14.626 103 HB3 ASP 18 2HB ASP 18 0.870 -1.438 -14.038 104 H LYS 19 H LYS 19 -2.079 0.820 -13.842 105 HA LYS 19 HA LYS 19 -1.763 3.265 -15.239 106 HB2 LYS 19 1HB LYS 19 -4.334 2.201 -14.071 107 HB3 LYS 19 2HB LYS 19 -4.147 3.275 -15.451 108 HG2 LYS 19 1HG LYS 19 -2.859 0.608 -15.600 109 HG3 LYS 19 2HG LYS 19 -4.618 0.687 -15.728 110 HD2 LYS 19 1HD LYS 19 -4.072 0.939 -17.930 111 HD3 LYS 19 2HD LYS 19 -4.037 2.632 -17.432 112 HE2 LYS 19 1HE LYS 19 -1.583 2.373 -17.025 113 HE3 LYS 19 2HE LYS 19 -1.690 0.766 -17.741 114 HZ1 LYS 19 1HZ LYS 19 -2.007 1.607 -19.816 115 HZ2 LYS 19 2HZ LYS 19 -1.065 2.855 -19.170 116 HZ3 LYS 19 3HZ LYS 19 -2.745 3.028 -19.270 117 H ASN 20 H ASN 20 -1.923 2.548 -11.935 118 HA ASN 20 HA ASN 20 -2.790 5.276 -11.264 119 HB2 ASN 20 1HB ASN 20 -2.777 2.694 -9.728 120 HB3 ASN 20 2HB ASN 20 -2.833 4.236 -8.880 121 HD21 ASN 20 1HD2 ASN 20 -4.425 2.473 -11.506 122 HD22 ASN 20 2HD2 ASN 20 -6.015 3.058 -11.166 123 H VAL 21 H VAL 21 -0.180 2.957 -10.902 124 HA VAL 21 HA VAL 21 1.395 4.776 -9.277 125 HB VAL 21 HB VAL 21 1.940 2.017 -10.360 126 HG11 VAL 21 1HG1 VAL 21 3.807 4.039 -9.323 127 HG12 VAL 21 2HG1 VAL 21 3.951 2.435 -8.600 128 HG13 VAL 21 3HG1 VAL 21 4.105 2.635 -10.346 129 HG21 VAL 21 1HG2 VAL 21 0.854 1.456 -8.495 130 HG22 VAL 21 2HG2 VAL 21 2.260 2.051 -7.612 131 HG23 VAL 21 3HG2 VAL 21 0.880 3.113 -7.891 132 H LEU 22 H LEU 22 1.792 3.158 -12.432 133 HA LEU 22 HA LEU 22 4.062 4.662 -13.193 134 HB2 LEU 22 1HB LEU 22 2.094 3.341 -15.047 135 HB3 LEU 22 2HB LEU 22 3.791 3.700 -15.358 136 HG LEU 22 HG LEU 22 2.605 1.524 -13.669 137 HD11 LEU 22 1HD1 LEU 22 3.209 1.359 -16.179 138 HD12 LEU 22 2HD1 LEU 22 3.728 0.078 -15.084 139 HD13 LEU 22 3HD1 LEU 22 4.876 1.311 -15.604 140 HD21 LEU 22 1HD2 LEU 22 5.502 2.349 -13.634 141 HD22 LEU 22 2HD2 LEU 22 4.738 1.060 -12.703 142 HD23 LEU 22 3HD2 LEU 22 4.349 2.747 -12.360 143 H ASP 23 H ASP 23 0.605 5.086 -13.728 144 HA ASP 23 HA ASP 23 0.924 7.324 -15.492 145 HB2 ASP 23 1HB ASP 23 -1.101 5.644 -15.163 146 HB3 ASP 23 2HB ASP 23 -1.619 6.860 -13.998 147 H SER 24 H SER 24 1.664 7.062 -12.364 148 HA SER 24 HA SER 24 0.996 9.876 -11.823 149 HB2 SER 24 1HB SER 24 -0.434 8.269 -10.498 150 HB3 SER 24 2HB SER 24 1.042 7.717 -9.706 151 HG SER 24 HG SER 24 1.195 10.246 -9.444 152 H GLU 25 H GLU 25 2.813 11.004 -11.742 153 HA GLU 25 HA GLU 25 5.382 9.893 -11.526 154 HB2 GLU 25 1HB GLU 25 4.420 12.725 -11.104 155 HB3 GLU 25 2HB GLU 25 6.116 12.267 -11.156 156 HG2 GLU 25 1HG GLU 25 4.381 11.470 -13.428 157 HG3 GLU 25 2HG GLU 25 4.847 13.164 -13.284 158 H ASP 26 H ASP 26 3.063 10.641 -9.141 159 HA ASP 26 HA ASP 26 4.842 11.133 -6.965 160 HB2 ASP 26 1HB ASP 26 1.938 10.293 -7.033 161 HB3 ASP 26 2HB ASP 26 2.810 10.705 -5.559 162 H VAL 27 H VAL 27 5.153 9.726 -5.118 163 HA VAL 27 HA VAL 27 5.905 7.085 -5.914 164 HB VAL 27 HB VAL 27 5.905 8.421 -3.207 165 HG11 VAL 27 1HG1 VAL 27 5.970 6.304 -2.439 166 HG12 VAL 27 2HG1 VAL 27 6.439 5.637 -4.004 167 HG13 VAL 27 3HG1 VAL 27 7.653 6.377 -2.959 168 HG21 VAL 27 1HG2 VAL 27 7.545 9.490 -4.428 169 HG22 VAL 27 2HG2 VAL 27 8.454 8.167 -3.696 170 HG23 VAL 27 3HG2 VAL 27 7.927 8.052 -5.375 171 H TRP 28 H TRP 28 4.969 5.150 -5.457 172 HA TRP 28 HA TRP 28 2.425 5.199 -3.975 173 HB2 TRP 28 1HB TRP 28 3.052 4.009 -6.652 174 HB3 TRP 28 2HB TRP 28 1.833 3.250 -5.632 175 HD1 TRP 28 HD TRP 28 2.549 6.641 -7.345 176 HE1 TRP 28 1HE TRP 28 0.295 7.801 -7.793 177 HE3 TRP 28 3HE TRP 28 -0.554 3.308 -5.022 178 HZ2 TRP 28 2HZ TRP 28 -2.437 7.361 -7.234 179 HZ3 TRP 28 3HZ TRP 28 -2.975 3.751 -5.023 180 HH2 TRP 28 HH TRP 28 -3.894 5.736 -6.107 181 H MET 29 H MET 29 2.650 4.042 -2.183 182 HA MET 29 HA MET 29 4.599 1.881 -2.072 183 HB2 MET 29 1HB MET 29 3.096 3.493 -0.065 184 HB3 MET 29 2HB MET 29 3.624 1.882 0.402 185 HG2 MET 29 1HG MET 29 5.934 2.507 -0.226 186 HG3 MET 29 2HG MET 29 5.364 4.142 -0.551 187 HE1 MET 29 1HE MET 29 7.486 2.601 2.271 188 HE2 MET 29 2HE MET 29 6.202 2.070 3.357 189 HE3 MET 29 3HE MET 29 6.272 1.454 1.705 190 H VAL 30 H VAL 30 3.832 0.063 -2.993 191 HA VAL 30 HA VAL 30 1.081 -0.773 -2.506 192 HB VAL 30 HB VAL 30 3.192 -2.129 -4.188 193 HG11 VAL 30 1HG1 VAL 30 1.594 -3.751 -3.791 194 HG12 VAL 30 2HG1 VAL 30 0.272 -2.585 -3.736 195 HG13 VAL 30 3HG1 VAL 30 1.007 -3.014 -5.281 196 HG21 VAL 30 1HG2 VAL 30 2.519 -0.932 -6.030 197 HG22 VAL 30 2HG2 VAL 30 0.937 -0.559 -5.346 198 HG23 VAL 30 3HG2 VAL 30 2.369 0.294 -4.771 199 H GLU 31 H GLU 31 0.500 -2.338 -1.130 200 HA GLU 31 HA GLU 31 2.620 -4.008 0.049 201 HB2 GLU 31 1HB GLU 31 2.027 -2.409 1.723 202 HB3 GLU 31 2HB GLU 31 0.310 -2.644 1.427 203 HG2 GLU 31 1HG GLU 31 1.863 -5.016 2.263 204 HG3 GLU 31 2HG GLU 31 1.596 -3.760 3.471 205 H PHE 32 H PHE 32 2.167 -5.767 -1.264 206 HA PHE 32 HA PHE 32 -0.375 -6.786 -1.834 207 HB2 PHE 32 1HB PHE 32 2.207 -8.347 -1.603 208 HB3 PHE 32 2HB PHE 32 0.766 -8.836 -2.488 209 HD1 PHE 32 2HD PHE 32 3.554 -6.428 -2.404 210 HD2 PHE 32 1HD PHE 32 0.336 -8.042 -4.674 211 HE1 PHE 32 2HE PHE 32 4.418 -5.309 -4.417 212 HE2 PHE 32 1HE PHE 32 1.196 -6.926 -6.692 213 HZ PHE 32 HZ PHE 32 3.239 -5.557 -6.565 214 H TYR 33 H TYR 33 -1.833 -7.772 -0.611 215 HA TYR 33 HA TYR 33 -0.941 -9.268 1.753 216 HB2 TYR 33 1HB TYR 33 -2.529 -8.263 3.177 217 HB3 TYR 33 2HB TYR 33 -1.799 -6.920 2.304 218 HD1 TYR 33 1HD TYR 33 -4.781 -9.134 2.377 219 HD2 TYR 33 2HD TYR 33 -3.126 -5.447 1.046 220 HE1 TYR 33 1HE TYR 33 -7.014 -8.400 1.653 221 HE2 TYR 33 2HE TYR 33 -5.355 -4.703 0.319 222 HH TYR 33 HH TYR 33 -8.237 -6.530 1.066 223 H ALA 34 H ALA 34 -2.916 -10.510 2.693 224 HA ALA 34 HA ALA 34 -4.474 -11.623 0.452 225 HB1 ALA 34 1HB ALA 34 -2.732 -12.952 2.398 226 HB2 ALA 34 2HB ALA 34 -4.314 -13.707 2.194 227 HB3 ALA 34 3HB ALA 34 -3.260 -13.477 0.799 228 HA PRO 35 HA PRO 35 -8.001 -10.596 2.907 229 HB2 PRO 35 1HB PRO 35 -9.831 -12.076 1.554 230 HB3 PRO 35 2HB PRO 35 -9.166 -10.562 0.927 231 HG2 PRO 35 1HG PRO 35 -8.398 -13.381 0.276 232 HG3 PRO 35 2HG PRO 35 -8.613 -12.000 -0.815 233 HD2 PRO 35 1HD PRO 35 -6.174 -12.843 0.006 234 HD3 PRO 35 2HD PRO 35 -6.530 -11.137 -0.336 235 H TRP 36 H TRP 36 -6.533 -13.623 2.751 236 HA TRP 36 HA TRP 36 -8.275 -14.631 4.902 237 HB2 TRP 36 1HB TRP 36 -7.439 -16.949 4.008 238 HB3 TRP 36 2HB TRP 36 -8.781 -16.132 3.212 239 HD1 TRP 36 HD TRP 36 -8.574 -15.987 0.670 240 HE1 TRP 36 1HE TRP 36 -6.654 -16.129 -1.039 241 HE3 TRP 36 3HE TRP 36 -4.632 -16.342 3.906 242 HZ2 TRP 36 2HZ TRP 36 -3.841 -16.361 -1.018 243 HZ3 TRP 36 3HZ TRP 36 -2.359 -16.522 2.980 244 HH2 TRP 36 HH TRP 36 -1.974 -16.531 0.570 245 H CYS 37 H CYS 37 -5.351 -13.387 4.276 246 HA CYS 37 HA CYS 37 -3.792 -15.226 5.913 247 HB2 CYS 37 1HB CYS 37 -2.755 -14.273 3.899 248 HB3 CYS 37 2HB CYS 37 -2.988 -12.652 4.543 249 HG CYS 37 HG CYS 37 -1.015 -15.021 6.027 250 H GLY 38 H GLY 38 -3.625 -15.006 8.040 251 HA2 GLY 38 1HA GLY 38 -4.900 -13.036 9.534 252 HA3 GLY 38 2HA GLY 38 -3.621 -14.079 10.139 253 H HIS 39 H HIS 39 -1.378 -13.357 9.053 254 HA HIS 39 HA HIS 39 -0.393 -11.221 10.318 255 HB2 HIS 39 1HB HIS 39 0.292 -12.393 7.657 256 HB3 HIS 39 2HB HIS 39 1.096 -10.907 8.153 257 HD1 HIS 39 1HD HIS 39 3.381 -12.046 8.403 258 HD2 HIS 39 2HD HIS 39 0.416 -13.699 10.798 259 HE1 HIS 39 1HE HIS 39 4.583 -13.550 10.020 260 HE2 HIS 39 2HE HIS 39 2.762 -14.604 11.403 261 H CYS 40 H CYS 40 -1.985 -11.052 7.149 262 HA CYS 40 HA CYS 40 -1.676 -8.284 6.769 263 HB2 CYS 40 1HB CYS 40 -2.282 -9.376 4.824 264 HB3 CYS 40 2HB CYS 40 -3.473 -10.384 5.636 265 HG CYS 40 HG CYS 40 -5.387 -9.034 4.582 266 H LYS 41 H LYS 41 -4.496 -10.122 7.944 267 HA LYS 41 HA LYS 41 -6.270 -8.127 8.446 268 HB2 LYS 41 1HB LYS 41 -5.673 -10.480 10.249 269 HB3 LYS 41 2HB LYS 41 -7.134 -9.504 10.316 270 HG2 LYS 41 1HG LYS 41 -6.391 -10.797 7.741 271 HG3 LYS 41 2HG LYS 41 -7.088 -11.783 9.029 272 HD2 LYS 41 1HD LYS 41 -9.111 -10.679 8.959 273 HD3 LYS 41 2HD LYS 41 -8.405 -9.209 8.284 274 HE2 LYS 41 1HE LYS 41 -8.189 -10.213 6.133 275 HE3 LYS 41 2HE LYS 41 -8.599 -11.805 6.769 276 HZ1 LYS 41 1HZ LYS 41 -10.816 -10.861 7.344 277 HZ2 LYS 41 2HZ LYS 41 -10.507 -10.950 5.684 278 HZ3 LYS 41 3HZ LYS 41 -10.398 -9.465 6.486 279 H ASN 42 H ASN 42 -3.443 -8.960 10.373 280 HA ASN 42 HA ASN 42 -4.055 -7.123 12.486 281 HB2 ASN 42 1HB ASN 42 -1.645 -8.769 11.761 282 HB3 ASN 42 2HB ASN 42 -1.563 -7.568 13.046 283 HD21 ASN 42 1HD2 ASN 42 -1.019 -9.689 14.151 284 HD22 ASN 42 2HD2 ASN 42 -2.340 -10.532 14.878 285 H LEU 43 H LEU 43 -2.290 -6.996 9.483 286 HA LEU 43 HA LEU 43 -0.990 -4.494 10.092 287 HB2 LEU 43 1HB LEU 43 0.087 -6.105 8.627 288 HB3 LEU 43 2HB LEU 43 -1.271 -6.019 7.506 289 HG LEU 43 HG LEU 43 -0.657 -3.543 7.249 290 HD11 LEU 43 1HD1 LEU 43 2.006 -4.498 8.265 291 HD12 LEU 43 2HD1 LEU 43 0.865 -3.594 9.260 292 HD13 LEU 43 3HD1 LEU 43 1.536 -2.862 7.802 293 HD21 LEU 43 1HD2 LEU 43 0.647 -5.937 6.138 294 HD22 LEU 43 2HD2 LEU 43 1.489 -4.412 5.861 295 HD23 LEU 43 3HD2 LEU 43 -0.179 -4.609 5.323 296 H GLU 44 H GLU 44 -3.987 -5.520 8.736 297 HA GLU 44 HA GLU 44 -4.827 -3.684 6.989 298 HB2 GLU 44 1HB GLU 44 -6.563 -5.045 7.557 299 HB3 GLU 44 2HB GLU 44 -6.166 -5.017 9.269 300 HG2 GLU 44 1HG GLU 44 -8.276 -3.952 8.961 301 HG3 GLU 44 2HG GLU 44 -7.090 -2.723 9.396 302 HA PRO 45 HA PRO 45 -5.690 -0.300 10.324 303 HB2 PRO 45 1HB PRO 45 -4.749 -0.747 12.831 304 HB3 PRO 45 2HB PRO 45 -6.356 -1.260 12.303 305 HG2 PRO 45 1HG PRO 45 -3.835 -2.860 12.526 306 HG3 PRO 45 2HG PRO 45 -5.487 -3.302 12.997 307 HD2 PRO 45 1HD PRO 45 -4.351 -4.156 10.693 308 HD3 PRO 45 2HD PRO 45 -6.092 -3.842 10.840 309 H GLU 46 H GLU 46 -2.681 -2.060 11.073 310 HA GLU 46 HA GLU 46 -1.067 0.118 11.662 311 HB2 GLU 46 1HB GLU 46 -0.426 -2.560 10.438 312 HB3 GLU 46 2HB GLU 46 0.823 -1.385 10.827 313 HG2 GLU 46 1HG GLU 46 0.171 -3.279 12.511 314 HG3 GLU 46 2HG GLU 46 0.587 -1.661 13.075 315 H TRP 47 H TRP 47 -2.181 -1.071 8.590 316 HA TRP 47 HA TRP 47 -0.333 0.611 7.101 317 HB2 TRP 47 1HB TRP 47 -0.992 -1.700 6.334 318 HB3 TRP 47 2HB TRP 47 -2.604 -1.062 6.019 319 HD1 TRP 47 HD TRP 47 -2.984 0.120 3.744 320 HE1 TRP 47 1HE TRP 47 -1.480 0.709 1.740 321 HE3 TRP 47 3HE TRP 47 1.570 -0.966 5.799 322 HZ2 TRP 47 2HZ TRP 47 1.272 0.711 1.113 323 HZ3 TRP 47 3HZ TRP 47 3.589 -0.643 4.430 324 HH2 TRP 47 HH TRP 47 3.441 0.178 2.136 325 H ALA 48 H ALA 48 -3.765 0.440 7.888 326 HA ALA 48 HA ALA 48 -4.730 2.444 6.217 327 HB1 ALA 48 1HB ALA 48 -5.620 1.390 8.872 328 HB2 ALA 48 2HB ALA 48 -6.449 2.756 8.125 329 HB3 ALA 48 3HB ALA 48 -6.371 1.206 7.287 330 H ALA 49 H ALA 49 -3.372 2.694 9.487 331 HA ALA 49 HA ALA 49 -3.744 5.492 9.738 332 HB1 ALA 49 1HB ALA 49 -3.197 3.637 11.521 333 HB2 ALA 49 2HB ALA 49 -1.534 4.118 11.182 334 HB3 ALA 49 3HB ALA 49 -2.695 5.311 11.764 335 H ALA 50 H ALA 50 -0.855 3.555 8.957 336 HA ALA 50 HA ALA 50 1.047 5.463 8.655 337 HB1 ALA 50 1HB ALA 50 2.147 3.661 7.978 338 HB2 ALA 50 2HB ALA 50 0.633 2.814 7.659 339 HB3 ALA 50 3HB ALA 50 1.369 3.809 6.402 340 H ALA 51 H ALA 51 -1.180 4.460 6.053 341 HA ALA 51 HA ALA 51 -0.418 6.172 4.063 342 HB1 ALA 51 1HB ALA 51 -2.340 4.391 4.202 343 HB2 ALA 51 2HB ALA 51 -3.339 5.810 4.519 344 HB3 ALA 51 3HB ALA 51 -2.408 5.702 3.025 345 H SER 52 H SER 52 -2.799 6.878 6.616 346 HA SER 52 HA SER 52 -3.255 9.552 5.812 347 HB2 SER 52 1HB SER 52 -4.585 7.947 7.451 348 HB3 SER 52 2HB SER 52 -3.596 8.751 8.670 349 HG SER 52 HG SER 52 -4.412 10.725 7.334 350 H GLU 53 H GLU 53 -1.001 8.064 8.070 351 HA GLU 53 HA GLU 53 -0.027 10.563 9.090 352 HB2 GLU 53 1HB GLU 53 0.161 8.727 10.567 353 HB3 GLU 53 2HB GLU 53 0.895 7.709 9.337 354 HG2 GLU 53 1HG GLU 53 2.964 8.603 9.625 355 HG3 GLU 53 2HG GLU 53 2.338 10.176 10.118 356 H VAL 54 H VAL 54 0.492 8.794 6.257 357 HA VAL 54 HA VAL 54 3.186 9.837 5.831 358 HB VAL 54 HB VAL 54 1.478 7.993 4.156 359 HG11 VAL 54 1HG1 VAL 54 2.857 8.252 2.429 360 HG12 VAL 54 2HG1 VAL 54 3.522 9.658 3.263 361 HG13 VAL 54 3HG1 VAL 54 4.280 8.077 3.456 362 HG21 VAL 54 1HG2 VAL 54 2.961 7.471 6.423 363 HG22 VAL 54 2HG2 VAL 54 2.450 6.287 5.220 364 HG23 VAL 54 3HG2 VAL 54 4.049 7.023 5.108 365 H LYS 55 H LYS 55 -0.057 10.040 4.414 366 HA LYS 55 HA LYS 55 0.674 11.878 2.368 367 HB2 LYS 55 1HB LYS 55 -1.570 11.896 1.776 368 HB3 LYS 55 2HB LYS 55 -1.404 10.323 2.545 369 HG2 LYS 55 1HG LYS 55 -2.430 11.104 4.544 370 HG3 LYS 55 2HG LYS 55 -2.388 12.776 3.981 371 HD2 LYS 55 1HD LYS 55 -3.888 12.090 2.098 372 HD3 LYS 55 2HD LYS 55 -4.038 10.509 2.870 373 HE2 LYS 55 1HE LYS 55 -5.111 11.432 4.763 374 HE3 LYS 55 2HE LYS 55 -4.677 13.077 4.300 375 HZ1 LYS 55 1HZ LYS 55 -6.250 13.094 2.606 376 HZ2 LYS 55 2HZ LYS 55 -7.052 12.307 3.870 377 HZ3 LYS 55 3HZ LYS 55 -6.412 11.410 2.586 378 H GLU 56 H GLU 56 0.099 12.206 5.710 379 HA GLU 56 HA GLU 56 -0.683 14.994 5.573 380 HB2 GLU 56 1HB GLU 56 -1.144 14.856 7.820 381 HB3 GLU 56 2HB GLU 56 -1.343 13.171 7.358 382 HG2 GLU 56 1HG GLU 56 0.916 12.684 8.136 383 HG3 GLU 56 2HG GLU 56 1.127 14.374 8.589 384 H GLN 57 H GLN 57 2.187 13.088 6.154 385 HA GLN 57 HA GLN 57 3.728 15.430 6.940 386 HB2 GLN 57 1HB GLN 57 4.442 12.509 6.686 387 HB3 GLN 57 2HB GLN 57 5.611 13.756 7.102 388 HG2 GLN 57 1HG GLN 57 4.201 14.335 9.065 389 HG3 GLN 57 2HG GLN 57 3.179 12.952 8.677 390 HE21 GLN 57 1HE2 GLN 57 4.579 10.893 8.275 391 HE22 GLN 57 2HE2 GLN 57 5.744 10.565 9.508 392 H THR 58 H THR 58 3.457 13.159 4.258 393 HA THR 58 HA THR 58 5.619 14.380 2.787 394 HB THR 58 HB THR 58 5.040 12.830 0.990 395 HG1 THR 58 1HG THR 58 2.721 12.512 2.546 396 HG21 THR 58 1HG2 THR 58 5.630 10.817 2.074 397 HG22 THR 58 2HG2 THR 58 4.854 11.309 3.580 398 HG23 THR 58 3HG2 THR 58 6.341 12.098 3.055 399 H LYS 59 H LYS 59 2.965 15.773 3.562 400 HA LYS 59 HA LYS 59 1.580 17.350 2.685 401 HB2 LYS 59 1HB LYS 59 3.696 17.448 0.527 402 HB3 LYS 59 2HB LYS 59 2.452 18.663 0.788 403 HG2 LYS 59 1HG LYS 59 4.451 17.925 2.903 404 HG3 LYS 59 2HG LYS 59 4.757 19.175 1.694 405 HD2 LYS 59 1HD LYS 59 2.243 19.251 3.310 406 HD3 LYS 59 2HD LYS 59 3.757 19.820 4.017 407 HE2 LYS 59 1HE LYS 59 4.001 21.504 2.386 408 HE3 LYS 59 2HE LYS 59 2.771 20.786 1.347 409 HZ1 LYS 59 1HZ LYS 59 2.218 21.940 4.026 410 HZ2 LYS 59 2HZ LYS 59 1.080 21.405 2.894 411 HZ3 LYS 59 3HZ LYS 59 2.012 22.779 2.571 412 H GLY 60 H GLY 60 1.307 14.496 1.860 413 HA2 GLY 60 1HA GLY 60 -0.363 13.429 0.648 414 HA3 GLY 60 2HA GLY 60 -0.697 14.946 -0.173 415 H LYS 61 H LYS 61 2.578 13.935 -0.122 416 HA LYS 61 HA LYS 61 2.544 13.586 -2.992 417 HB2 LYS 61 1HB LYS 61 4.359 14.856 -2.017 418 HB3 LYS 61 2HB LYS 61 4.790 13.509 -0.971 419 HG2 LYS 61 1HG LYS 61 6.350 13.629 -2.786 420 HG3 LYS 61 2HG LYS 61 5.358 12.181 -2.976 421 HD2 LYS 61 1HD LYS 61 3.879 13.660 -4.484 422 HD3 LYS 61 2HD LYS 61 5.269 14.747 -4.527 423 HE2 LYS 61 1HE LYS 61 5.483 11.824 -5.195 424 HE3 LYS 61 2HE LYS 61 5.077 13.040 -6.405 425 HZ1 LYS 61 1HZ LYS 61 7.380 13.735 -4.843 426 HZ2 LYS 61 2HZ LYS 61 7.183 13.710 -6.523 427 HZ3 LYS 61 3HZ LYS 61 7.586 12.289 -5.698 428 H VAL 62 H VAL 62 4.031 11.643 -0.394 429 HA VAL 62 HA VAL 62 4.057 9.281 -2.001 430 HB VAL 62 HB VAL 62 4.459 9.514 0.984 431 HG11 VAL 62 1HG1 VAL 62 4.142 7.249 0.534 432 HG12 VAL 62 2HG1 VAL 62 4.980 7.342 -1.016 433 HG13 VAL 62 3HG1 VAL 62 5.894 7.439 0.490 434 HG21 VAL 62 1HG2 VAL 62 6.832 9.654 0.514 435 HG22 VAL 62 2HG2 VAL 62 6.520 9.570 -1.220 436 HG23 VAL 62 3HG2 VAL 62 5.983 10.972 -0.295 437 H LYS 63 H LYS 63 2.373 8.027 -2.411 438 HA LYS 63 HA LYS 63 0.108 8.021 -0.542 439 HB2 LYS 63 1HB LYS 63 0.240 7.074 -3.411 440 HB3 LYS 63 2HB LYS 63 -1.205 7.121 -2.409 441 HG2 LYS 63 1HG LYS 63 -1.156 9.513 -2.337 442 HG3 LYS 63 2HG LYS 63 0.411 9.550 -3.150 443 HD2 LYS 63 1HD LYS 63 -0.959 9.957 -4.934 444 HD3 LYS 63 2HD LYS 63 -0.913 8.194 -4.994 445 HE2 LYS 63 1HE LYS 63 -3.186 8.804 -5.220 446 HE3 LYS 63 2HE LYS 63 -2.997 8.214 -3.569 447 HZ1 LYS 63 1HZ LYS 63 -2.663 10.662 -2.985 448 HZ2 LYS 63 2HZ LYS 63 -4.234 10.148 -3.343 449 HZ3 LYS 63 3HZ LYS 63 -3.338 10.994 -4.501 450 H LEU 64 H LEU 64 -0.967 5.994 -0.084 451 HA LEU 64 HA LEU 64 0.812 3.656 -0.297 452 HB2 LEU 64 1HB LEU 64 -0.552 4.832 2.063 453 HB3 LEU 64 2HB LEU 64 -0.464 3.074 1.962 454 HG LEU 64 HG LEU 64 2.057 3.394 1.671 455 HD11 LEU 64 1HD1 LEU 64 1.456 6.075 2.899 456 HD12 LEU 64 2HD1 LEU 64 1.850 5.845 1.196 457 HD13 LEU 64 3HD1 LEU 64 3.029 5.423 2.438 458 HD21 LEU 64 1HD2 LEU 64 1.284 4.359 4.362 459 HD22 LEU 64 2HD2 LEU 64 2.325 3.015 3.893 460 HD23 LEU 64 3HD2 LEU 64 0.572 2.841 3.814 461 H ALA 65 H ALA 65 -0.096 2.052 -1.383 462 HA ALA 65 HA ALA 65 -3.025 1.743 -1.262 463 HB1 ALA 65 1HB ALA 65 -2.923 2.340 -3.435 464 HB2 ALA 65 2HB ALA 65 -1.224 1.892 -3.592 465 HB3 ALA 65 3HB ALA 65 -2.473 0.648 -3.654 466 H ALA 66 H ALA 66 -3.619 -0.549 -2.158 467 HA ALA 66 HA ALA 66 -1.699 -2.553 -1.206 468 HB1 ALA 66 1HB ALA 66 -3.338 -1.961 0.608 469 HB2 ALA 66 2HB ALA 66 -4.604 -2.632 -0.421 470 HB3 ALA 66 3HB ALA 66 -3.295 -3.665 0.154 471 H VAL 67 H VAL 67 -2.318 -4.780 -1.858 472 HA VAL 67 HA VAL 67 -4.214 -5.050 -4.023 473 HB VAL 67 HB VAL 67 -1.257 -5.392 -4.533 474 HG11 VAL 67 1HG1 VAL 67 -2.027 -7.140 -5.763 475 HG12 VAL 67 2HG1 VAL 67 -3.649 -6.462 -5.917 476 HG13 VAL 67 3HG1 VAL 67 -2.336 -5.848 -6.923 477 HG21 VAL 67 1HG2 VAL 67 -1.912 -3.809 -6.469 478 HG22 VAL 67 2HG2 VAL 67 -3.330 -3.450 -5.484 479 HG23 VAL 67 3HG2 VAL 67 -1.715 -3.135 -4.851 480 H ASP 68 H ASP 68 -4.728 -7.197 -4.498 481 HA ASP 68 HA ASP 68 -4.048 -9.072 -2.396 482 HB2 ASP 68 1HB ASP 68 -5.664 -10.514 -3.968 483 HB3 ASP 68 2HB ASP 68 -6.277 -9.338 -2.809 484 H ALA 69 H ALA 69 -2.015 -9.848 -2.681 485 HA ALA 69 HA ALA 69 -0.794 -10.449 -5.129 486 HB1 ALA 69 1HB ALA 69 0.256 -12.172 -3.134 487 HB2 ALA 69 2HB ALA 69 0.947 -10.681 -3.778 488 HB3 ALA 69 3HB ALA 69 -0.125 -10.625 -2.378 489 H THR 70 H THR 70 -3.194 -12.128 -3.363 490 HA THR 70 HA THR 70 -2.619 -14.715 -4.539 491 HB THR 70 HB THR 70 -3.496 -14.962 -2.393 492 HG1 THR 70 1HG THR 70 -4.783 -15.976 -4.310 493 HG21 THR 70 1HG2 THR 70 -4.427 -13.116 -1.515 494 HG22 THR 70 2HG2 THR 70 -5.944 -13.742 -2.161 495 HG23 THR 70 3HG2 THR 70 -5.014 -12.560 -3.081 496 H VAL 71 H VAL 71 -4.428 -11.921 -5.318 497 HA VAL 71 HA VAL 71 -6.051 -13.408 -7.269 498 HB VAL 71 HB VAL 71 -6.392 -10.573 -6.280 499 HG11 VAL 71 1HG1 VAL 71 -7.458 -11.973 -8.566 500 HG12 VAL 71 2HG1 VAL 71 -8.747 -11.469 -7.471 501 HG13 VAL 71 3HG1 VAL 71 -7.617 -10.276 -8.113 502 HG21 VAL 71 1HG2 VAL 71 -6.900 -12.259 -4.573 503 HG22 VAL 71 2HG2 VAL 71 -8.353 -11.414 -5.109 504 HG23 VAL 71 3HG2 VAL 71 -8.017 -13.045 -5.689 505 H ASN 72 H ASN 72 -3.519 -11.070 -6.920 506 HA ASN 72 HA ASN 72 -3.625 -10.350 -9.749 507 HB2 ASN 72 1HB ASN 72 -2.276 -9.241 -7.334 508 HB3 ASN 72 2HB ASN 72 -1.504 -8.979 -8.895 509 HD21 ASN 72 1HD2 ASN 72 -4.482 -8.523 -7.087 510 HD22 ASN 72 2HD2 ASN 72 -5.035 -7.155 -7.986 511 H GLN 73 H GLN 73 -2.668 -11.702 -11.115 512 HA GLN 73 HA GLN 73 -0.278 -13.164 -10.238 513 HB2 GLN 73 1HB GLN 73 -2.044 -13.661 -12.642 514 HB3 GLN 73 2HB GLN 73 -0.710 -14.675 -12.108 515 HG2 GLN 73 1HG GLN 73 -2.898 -14.134 -10.181 516 HG3 GLN 73 2HG GLN 73 -3.223 -15.231 -11.522 517 HE21 GLN 73 1HE2 GLN 73 -1.849 -14.882 -8.459 518 HE22 GLN 73 2HE2 GLN 73 -1.103 -16.436 -8.344 519 H VAL 74 H VAL 74 -1.403 -10.746 -12.437 520 HA VAL 74 HA VAL 74 0.701 -10.856 -14.326 521 HB VAL 74 HB VAL 74 -1.039 -8.517 -13.532 522 HG11 VAL 74 1HG1 VAL 74 1.268 -8.599 -15.174 523 HG12 VAL 74 2HG1 VAL 74 -0.133 -8.381 -16.224 524 HG13 VAL 74 3HG1 VAL 74 0.163 -7.252 -14.902 525 HG21 VAL 74 1HG2 VAL 74 -2.560 -9.172 -15.130 526 HG22 VAL 74 2HG2 VAL 74 -1.371 -10.109 -16.035 527 HG23 VAL 74 3HG2 VAL 74 -2.018 -10.735 -14.518 528 H LEU 75 H LEU 75 0.315 -9.203 -11.246 529 HA LEU 75 HA LEU 75 2.878 -7.851 -11.555 530 HB2 LEU 75 1HB LEU 75 1.159 -7.785 -9.102 531 HB3 LEU 75 2HB LEU 75 2.320 -6.586 -9.668 532 HG LEU 75 HG LEU 75 -0.300 -7.168 -11.042 533 HD11 LEU 75 1HD1 LEU 75 -0.711 -6.311 -8.798 534 HD12 LEU 75 2HD1 LEU 75 -1.111 -5.105 -10.021 535 HD13 LEU 75 3HD1 LEU 75 0.387 -4.965 -9.102 536 HD21 LEU 75 1HD2 LEU 75 1.790 -6.069 -12.193 537 HD22 LEU 75 2HD2 LEU 75 1.261 -4.644 -11.300 538 HD23 LEU 75 3HD2 LEU 75 0.170 -5.421 -12.448 539 H ALA 76 H ALA 76 1.329 -10.111 -9.281 540 HA ALA 76 HA ALA 76 3.477 -10.606 -7.616 541 HB1 ALA 76 1HB ALA 76 1.208 -12.369 -8.492 542 HB2 ALA 76 2HB ALA 76 2.402 -12.890 -7.302 543 HB3 ALA 76 3HB ALA 76 1.392 -11.481 -6.979 544 H SER 77 H SER 77 2.886 -11.752 -10.854 545 HA SER 77 HA SER 77 4.982 -13.745 -10.740 546 HB2 SER 77 1HB SER 77 3.088 -14.264 -12.127 547 HB3 SER 77 2HB SER 77 3.241 -12.740 -13.001 548 HG SER 77 HG SER 77 4.720 -13.604 -14.220 549 H ARG 78 H ARG 78 4.629 -10.425 -11.631 550 HA ARG 78 HA ARG 78 6.964 -10.281 -13.285 551 HB2 ARG 78 1HB ARG 78 4.945 -8.701 -13.301 552 HB3 ARG 78 2HB ARG 78 5.663 -7.959 -11.878 553 HG2 ARG 78 1HG ARG 78 7.721 -7.543 -13.218 554 HG3 ARG 78 2HG ARG 78 6.849 -8.126 -14.637 555 HD2 ARG 78 1HD ARG 78 5.199 -6.365 -14.376 556 HD3 ARG 78 2HD ARG 78 5.996 -5.810 -12.904 557 HE ARG 78 HE ARG 78 6.832 -5.330 -15.627 558 HH11 ARG 78 2HH1 ARG 78 7.748 -5.359 -12.268 559 HH12 ARG 78 1HH1 ARG 78 9.072 -4.263 -12.485 560 HH21 ARG 78 2HH2 ARG 78 8.573 -3.887 -15.925 561 HH22 ARG 78 1HH2 ARG 78 9.540 -3.426 -14.566 562 H TYR 79 H TYR 79 6.240 -9.742 -9.889 563 HA TYR 79 HA TYR 79 9.084 -9.145 -9.413 564 HB2 TYR 79 1HB TYR 79 6.800 -8.599 -7.516 565 HB3 TYR 79 2HB TYR 79 8.448 -7.988 -7.419 566 HD1 TYR 79 1HD TYR 79 9.208 -6.220 -8.962 567 HD2 TYR 79 2HD TYR 79 5.167 -7.551 -8.925 568 HE1 TYR 79 1HE TYR 79 8.540 -4.206 -10.205 569 HE2 TYR 79 2HE TYR 79 4.488 -5.541 -10.170 570 HH TYR 79 HH TYR 79 6.769 -3.411 -11.608 571 H GLY 80 H GLY 80 6.610 -11.441 -8.957 572 HA2 GLY 80 1HA GLY 80 6.769 -13.583 -8.094 573 HA3 GLY 80 2HA GLY 80 8.418 -13.223 -7.603 574 H ILE 81 H ILE 81 5.028 -12.668 -6.740 575 HA ILE 81 HA ILE 81 5.867 -12.236 -3.955 576 HB ILE 81 HB ILE 81 3.158 -11.656 -5.150 577 HG12 ILE 81 1HG1 ILE 81 5.091 -10.321 -6.130 578 HG13 ILE 81 2HG1 ILE 81 3.791 -9.383 -5.405 579 HG21 ILE 81 1HG2 ILE 81 4.276 -11.570 -2.471 580 HG22 ILE 81 2HG2 ILE 81 3.572 -10.030 -2.960 581 HG23 ILE 81 3HG2 ILE 81 2.595 -11.497 -2.998 582 HD11 ILE 81 1HD1 ILE 81 5.875 -10.016 -3.498 583 HD12 ILE 81 2HD1 ILE 81 6.482 -9.124 -4.894 584 HD13 ILE 81 3HD1 ILE 81 5.164 -8.461 -3.928 585 H ARG 82 H ARG 82 5.733 -13.954 -2.684 586 HA ARG 82 HA ARG 82 3.485 -15.817 -3.067 587 HB2 ARG 82 1HB ARG 82 4.912 -17.690 -2.548 588 HB3 ARG 82 2HB ARG 82 5.625 -16.789 -3.879 589 HG2 ARG 82 1HG ARG 82 7.372 -16.012 -2.598 590 HG3 ARG 82 2HG ARG 82 6.488 -16.212 -1.084 591 HD2 ARG 82 1HD ARG 82 6.569 -18.748 -1.724 592 HD3 ARG 82 2HD ARG 82 7.926 -18.244 -2.730 593 HE ARG 82 HE ARG 82 8.058 -17.363 0.017 594 HH11 ARG 82 2HH1 ARG 82 8.885 -19.849 -2.276 595 HH12 ARG 82 1HH1 ARG 82 10.197 -20.468 -1.329 596 HH21 ARG 82 2HH2 ARG 82 9.783 -18.170 1.273 597 HH22 ARG 82 1HH2 ARG 82 10.706 -19.513 0.690 598 H GLY 83 H GLY 83 5.553 -14.054 -0.913 599 HA2 GLY 83 1HA GLY 83 4.067 -15.142 1.395 600 HA3 GLY 83 2HA GLY 83 5.686 -14.466 1.488 601 H PHE 84 H PHE 84 2.553 -13.869 2.207 602 HA PHE 84 HA PHE 84 2.878 -10.954 1.930 603 HB2 PHE 84 1HB PHE 84 0.194 -12.092 2.501 604 HB3 PHE 84 2HB PHE 84 0.644 -10.717 1.498 605 HD1 PHE 84 2HD PHE 84 2.588 -11.981 -0.333 606 HD2 PHE 84 1HD PHE 84 -1.165 -13.368 1.118 607 HE1 PHE 84 2HE PHE 84 2.324 -13.366 -2.349 608 HE2 PHE 84 1HE PHE 84 -1.435 -14.756 -0.896 609 HZ PHE 84 HZ PHE 84 0.311 -14.755 -2.633 610 HA PRO 85 HA PRO 85 1.289 -9.301 2.691 611 HB2 PRO 85 1HB PRO 85 2.209 -7.140 4.051 612 HB3 PRO 85 2HB PRO 85 0.648 -7.895 4.391 613 HG2 PRO 85 1HG PRO 85 3.260 -8.218 5.819 614 HG3 PRO 85 2HG PRO 85 1.631 -8.031 6.494 615 HD2 PRO 85 1HD PRO 85 2.861 -10.435 6.302 616 HD3 PRO 85 2HD PRO 85 1.101 -10.249 6.160 617 H THR 86 H THR 86 2.505 -7.659 1.465 618 HA THR 86 HA THR 86 5.417 -7.926 1.592 619 HB THR 86 HB THR 86 4.123 -8.091 -1.103 620 HG1 THR 86 1HG THR 86 4.373 -10.448 -0.830 621 HG21 THR 86 1HG2 THR 86 6.565 -7.689 -0.835 622 HG22 THR 86 2HG2 THR 86 6.191 -9.174 -1.710 623 HG23 THR 86 3HG2 THR 86 6.693 -9.248 -0.022 624 H ILE 87 H ILE 87 5.959 -5.864 1.968 625 HA ILE 87 HA ILE 87 4.567 -3.713 0.566 626 HB ILE 87 HB ILE 87 6.597 -3.660 2.797 627 HG12 ILE 87 1HG1 ILE 87 3.802 -2.585 2.925 628 HG13 ILE 87 2HG1 ILE 87 4.077 -4.315 3.105 629 HG21 ILE 87 1HG2 ILE 87 6.954 -1.733 1.377 630 HG22 ILE 87 2HG2 ILE 87 5.232 -1.359 1.408 631 HG23 ILE 87 3HG2 ILE 87 6.189 -1.231 2.884 632 HD11 ILE 87 1HD1 ILE 87 5.257 -2.140 4.816 633 HD12 ILE 87 2HD1 ILE 87 3.951 -3.238 5.263 634 HD13 ILE 87 3HD1 ILE 87 5.575 -3.866 4.987 635 H LYS 88 H LYS 88 5.354 -2.816 -1.213 636 HA LYS 88 HA LYS 88 8.254 -2.828 -1.663 637 HB2 LYS 88 1HB LYS 88 6.185 -3.573 -3.739 638 HB3 LYS 88 2HB LYS 88 7.913 -3.417 -4.024 639 HG2 LYS 88 1HG LYS 88 7.033 -5.294 -1.905 640 HG3 LYS 88 2HG LYS 88 6.760 -5.756 -3.587 641 HD2 LYS 88 1HD LYS 88 9.247 -5.076 -3.905 642 HD3 LYS 88 2HD LYS 88 9.339 -5.258 -2.151 643 HE2 LYS 88 1HE LYS 88 8.066 -7.444 -3.705 644 HE3 LYS 88 2HE LYS 88 9.817 -7.273 -3.819 645 HZ1 LYS 88 1HZ LYS 88 8.205 -8.215 -1.631 646 HZ2 LYS 88 2HZ LYS 88 9.362 -7.073 -1.163 647 HZ3 LYS 88 3HZ LYS 88 9.842 -8.485 -1.962 648 H ILE 89 H ILE 89 9.049 -0.952 -2.419 649 HA ILE 89 HA ILE 89 7.182 1.246 -2.806 650 HB ILE 89 HB ILE 89 10.166 1.114 -2.457 651 HG12 ILE 89 1HG1 ILE 89 9.428 2.817 -0.616 652 HG13 ILE 89 2HG1 ILE 89 7.826 2.140 -0.883 653 HG21 ILE 89 1HG2 ILE 89 10.090 3.632 -2.593 654 HG22 ILE 89 2HG2 ILE 89 9.919 2.775 -4.124 655 HG23 ILE 89 3HG2 ILE 89 8.499 3.459 -3.334 656 HD11 ILE 89 1HD1 ILE 89 8.382 0.119 0.014 657 HD12 ILE 89 2HD1 ILE 89 10.091 0.283 -0.394 658 HD13 ILE 89 3HD1 ILE 89 9.417 1.186 0.962 659 H PHE 90 H PHE 90 7.150 2.585 -4.633 660 HA PHE 90 HA PHE 90 8.580 1.629 -7.006 661 HB2 PHE 90 1HB PHE 90 5.603 2.141 -6.862 662 HB3 PHE 90 2HB PHE 90 6.499 1.881 -8.354 663 HD1 PHE 90 1HD PHE 90 5.555 0.294 -5.145 664 HD2 PHE 90 2HD PHE 90 6.947 -0.280 -9.126 665 HE1 PHE 90 1HE PHE 90 5.245 -2.135 -4.900 666 HE2 PHE 90 2HE PHE 90 6.639 -2.710 -8.888 667 HZ PHE 90 HZ PHE 90 5.786 -3.640 -6.773 668 H GLN 91 H GLN 91 9.401 3.224 -8.217 669 HA GLN 91 HA GLN 91 8.403 5.958 -7.767 670 HB2 GLN 91 1HB GLN 91 11.213 4.919 -7.815 671 HB3 GLN 91 2HB GLN 91 10.887 6.572 -8.319 672 HG2 GLN 91 1HG GLN 91 10.053 7.160 -6.189 673 HG3 GLN 91 2HG GLN 91 9.987 5.475 -5.674 674 HE21 GLN 91 1HE2 GLN 91 11.304 5.655 -3.926 675 HE22 GLN 91 2HE2 GLN 91 12.986 6.036 -4.026 676 H LYS 92 H LYS 92 8.283 7.308 -9.533 677 HA LYS 92 HA LYS 92 7.942 6.079 -12.063 678 HB2 LYS 92 1HB LYS 92 6.751 8.141 -11.217 679 HB3 LYS 92 2HB LYS 92 8.233 9.036 -11.524 680 HG2 LYS 92 1HG LYS 92 7.046 9.445 -13.441 681 HG3 LYS 92 2HG LYS 92 8.008 8.046 -13.923 682 HD2 LYS 92 1HD LYS 92 5.890 6.753 -12.966 683 HD3 LYS 92 2HD LYS 92 5.093 8.267 -13.399 684 HE2 LYS 92 1HE LYS 92 6.920 7.017 -15.385 685 HE3 LYS 92 2HE LYS 92 5.343 6.275 -15.125 686 HZ1 LYS 92 1HZ LYS 92 4.562 7.782 -16.535 687 HZ2 LYS 92 2HZ LYS 92 6.002 8.668 -16.526 688 HZ3 LYS 92 3HZ LYS 92 4.826 8.954 -15.344 689 H GLY 93 H GLY 93 9.653 5.254 -13.110 690 HA2 GLY 93 1HA GLY 93 11.414 5.688 -14.670 691 HA3 GLY 93 2HA GLY 93 11.865 7.094 -13.717 692 H GLU 94 H GLU 94 12.059 6.065 -11.191 693 HA GLU 94 HA GLU 94 14.579 4.731 -11.326 694 HB2 GLU 94 1HB GLU 94 12.784 5.512 -9.033 695 HB3 GLU 94 2HB GLU 94 14.306 4.666 -8.792 696 HG2 GLU 94 1HG GLU 94 15.222 6.652 -10.280 697 HG3 GLU 94 2HG GLU 94 13.797 7.462 -9.630 698 H SER 95 H SER 95 15.015 2.767 -9.939 699 HA SER 95 HA SER 95 13.219 0.662 -10.781 700 HB2 SER 95 1HB SER 95 14.942 -0.857 -10.156 701 HB3 SER 95 2HB SER 95 15.761 0.530 -10.874 702 HG SER 95 HG SER 95 15.690 -0.327 -8.219 703 HA PRO 96 HA PRO 96 10.990 0.310 -7.001 704 HB2 PRO 96 1HB PRO 96 10.159 -2.263 -7.242 705 HB3 PRO 96 2HB PRO 96 9.473 -0.939 -8.191 706 HG2 PRO 96 1HG PRO 96 11.545 -2.953 -8.971 707 HG3 PRO 96 2HG PRO 96 10.163 -2.351 -9.905 708 HD2 PRO 96 1HD PRO 96 12.687 -1.448 -10.291 709 HD3 PRO 96 2HD PRO 96 11.259 -0.418 -10.518 710 H VAL 97 H VAL 97 11.166 -0.542 -4.928 711 HA VAL 97 HA VAL 97 13.377 -2.430 -4.465 712 HB VAL 97 HB VAL 97 13.738 -1.120 -2.278 713 HG11 VAL 97 1HG1 VAL 97 15.331 -1.213 -4.155 714 HG12 VAL 97 2HG1 VAL 97 14.524 0.176 -4.886 715 HG13 VAL 97 3HG1 VAL 97 15.347 0.348 -3.335 716 HG21 VAL 97 1HG2 VAL 97 13.274 1.397 -2.781 717 HG22 VAL 97 2HG2 VAL 97 12.016 0.758 -3.838 718 HG23 VAL 97 3HG2 VAL 97 11.994 0.382 -2.115 719 H ASP 98 H ASP 98 13.278 -3.057 -1.972 720 HA ASP 98 HA ASP 98 10.481 -3.796 -1.410 721 HB2 ASP 98 1HB ASP 98 11.125 -5.920 -0.759 722 HB3 ASP 98 2HB ASP 98 12.270 -5.603 -2.059 723 H TYR 99 H TYR 99 9.658 -3.287 0.528 724 HA TYR 99 HA TYR 99 11.252 -1.684 2.321 725 HB2 TYR 99 1HB TYR 99 8.927 -1.064 1.814 726 HB3 TYR 99 2HB TYR 99 8.366 -2.571 2.530 727 HD1 TYR 99 1HD TYR 99 10.806 0.041 3.634 728 HD2 TYR 99 2HD TYR 99 7.272 -2.158 4.515 729 HE1 TYR 99 1HE TYR 99 10.678 1.140 5.831 730 HE2 TYR 99 2HE TYR 99 7.133 -1.065 6.714 731 HH TYR 99 HH TYR 99 8.199 0.242 8.191 732 H ASP 100 H ASP 100 8.975 -4.292 3.129 733 HA ASP 100 HA ASP 100 9.030 -5.888 4.755 734 HB2 ASP 100 1HB ASP 100 10.612 -6.879 3.154 735 HB3 ASP 100 2HB ASP 100 11.938 -6.018 3.930 736 H GLY 101 H GLY 101 9.015 -3.492 5.921 737 HA2 GLY 101 1HA GLY 101 11.246 -3.234 7.763 738 HA3 GLY 101 2HA GLY 101 9.842 -2.182 7.668 739 H GLY 102 H GLY 102 8.965 -2.163 9.641 740 HA2 GLY 102 1HA GLY 102 8.845 -4.650 11.182 741 HA3 GLY 102 2HA GLY 102 8.531 -3.034 11.797 742 H ARG 103 H ARG 103 6.942 -3.213 8.934 743 HA ARG 103 HA ARG 103 4.761 -3.431 8.330 744 HB2 ARG 103 1HB ARG 103 4.813 -5.570 10.465 745 HB3 ARG 103 2HB ARG 103 3.466 -5.302 9.367 746 HG2 ARG 103 1HG ARG 103 5.097 -5.680 7.476 747 HG3 ARG 103 2HG ARG 103 6.239 -6.238 8.700 748 HD2 ARG 103 1HD ARG 103 4.236 -7.760 9.431 749 HD3 ARG 103 2HD ARG 103 3.679 -7.466 7.784 750 HE ARG 103 HE ARG 103 5.759 -9.213 8.572 751 HH11 ARG 103 2HH1 ARG 103 4.881 -6.948 6.078 752 HH12 ARG 103 1HH1 ARG 103 5.838 -7.721 4.858 753 HH21 ARG 103 2HH2 ARG 103 7.023 -10.240 6.974 754 HH22 ARG 103 1HH2 ARG 103 7.055 -9.594 5.369 755 H THR 104 H THR 104 5.583 -1.573 10.463 756 HA THR 104 HA THR 104 2.949 -1.222 11.738 757 HB THR 104 HB THR 104 4.434 0.071 13.514 758 HG1 THR 104 1HG THR 104 6.200 -2.052 12.978 759 HG21 THR 104 1HG2 THR 104 4.019 -1.662 14.957 760 HG22 THR 104 2HG2 THR 104 4.536 -2.891 13.802 761 HG23 THR 104 3HG2 THR 104 2.959 -2.123 13.626 762 H ARG 105 H ARG 105 2.012 0.714 11.470 763 HA ARG 105 HA ARG 105 2.633 2.511 9.559 764 HB2 ARG 105 1HB ARG 105 1.067 3.953 10.480 765 HB3 ARG 105 2HB ARG 105 0.610 2.411 11.192 766 HG2 ARG 105 1HG ARG 105 2.005 3.064 13.193 767 HG3 ARG 105 2HG ARG 105 2.094 4.678 12.484 768 HD2 ARG 105 1HD ARG 105 -0.297 4.903 12.566 769 HD3 ARG 105 2HD ARG 105 -0.479 3.229 13.087 770 HE ARG 105 HE ARG 105 1.111 4.412 14.986 771 HH11 ARG 105 2HH1 ARG 105 -2.071 4.960 13.685 772 HH12 ARG 105 1HH1 ARG 105 -2.699 5.630 15.154 773 HH21 ARG 105 2HH2 ARG 105 0.296 5.293 16.926 774 HH22 ARG 105 1HH2 ARG 105 -1.351 5.820 16.997 775 H SER 106 H SER 106 3.867 2.537 12.869 776 HA SER 106 HA SER 106 5.156 4.987 12.889 777 HB2 SER 106 1HB SER 106 5.757 2.371 14.249 778 HB3 SER 106 2HB SER 106 6.803 3.772 14.480 779 HG SER 106 HG SER 106 4.929 3.409 15.984 780 H ASP 107 H ASP 107 6.394 1.848 11.783 781 HA ASP 107 HA ASP 107 8.884 3.010 10.895 782 HB2 ASP 107 1HB ASP 107 7.782 0.235 10.407 783 HB3 ASP 107 2HB ASP 107 9.445 0.756 10.156 784 H ILE 108 H ILE 108 6.084 1.476 9.317 785 HA ILE 108 HA ILE 108 6.795 1.676 6.688 786 HB ILE 108 HB ILE 108 4.053 2.239 7.823 787 HG12 ILE 108 1HG1 ILE 108 4.985 -0.365 6.648 788 HG13 ILE 108 2HG1 ILE 108 5.291 0.012 8.340 789 HG21 ILE 108 1HG2 ILE 108 4.466 1.079 5.121 790 HG22 ILE 108 2HG2 ILE 108 3.163 2.098 5.729 791 HG23 ILE 108 3HG2 ILE 108 4.725 2.811 5.329 792 HD11 ILE 108 1HD1 ILE 108 3.240 -0.601 8.882 793 HD12 ILE 108 2HD1 ILE 108 2.549 0.530 7.719 794 HD13 ILE 108 3HD1 ILE 108 2.985 -1.101 7.211 795 H VAL 109 H VAL 109 5.467 4.235 8.737 796 HA VAL 109 HA VAL 109 5.278 6.174 6.660 797 HB VAL 109 HB VAL 109 5.413 6.556 9.654 798 HG11 VAL 109 1HG1 VAL 109 5.089 8.775 9.397 799 HG12 VAL 109 2HG1 VAL 109 5.880 8.494 7.845 800 HG13 VAL 109 3HG1 VAL 109 4.120 8.575 7.938 801 HG21 VAL 109 1HG2 VAL 109 3.421 5.397 8.106 802 HG22 VAL 109 2HG2 VAL 109 3.252 6.018 9.748 803 HG23 VAL 109 3HG2 VAL 109 2.866 7.050 8.371 804 H SER 110 H SER 110 7.639 5.629 9.265 805 HA SER 110 HA SER 110 9.343 7.720 8.929 806 HB2 SER 110 1HB SER 110 9.515 5.680 10.515 807 HB3 SER 110 2HB SER 110 10.456 4.938 9.221 808 HG SER 110 HG SER 110 11.037 7.257 10.725 809 H ARG 111 H ARG 111 9.378 4.705 7.045 810 HA ARG 111 HA ARG 111 11.555 5.386 5.398 811 HB2 ARG 111 1HB ARG 111 10.343 3.106 5.751 812 HB3 ARG 111 2HB ARG 111 9.300 3.652 4.444 813 HG2 ARG 111 1HG ARG 111 11.222 2.184 3.772 814 HG3 ARG 111 2HG ARG 111 11.097 3.720 2.911 815 HD2 ARG 111 1HD ARG 111 13.413 3.018 3.704 816 HD3 ARG 111 2HD ARG 111 12.891 4.656 4.096 817 HE ARG 111 HE ARG 111 12.167 3.289 6.290 818 HH11 ARG 111 2HH1 ARG 111 15.144 3.412 4.488 819 HH12 ARG 111 1HH1 ARG 111 16.144 3.101 5.868 820 HH21 ARG 111 2HH2 ARG 111 13.473 2.880 8.115 821 HH22 ARG 111 1HH2 ARG 111 15.193 2.797 7.931 822 H ALA 112 H ALA 112 8.061 5.476 4.674 823 HA ALA 112 HA ALA 112 8.040 6.529 2.180 824 HB1 ALA 112 1HB ALA 112 6.178 7.789 4.125 825 HB2 ALA 112 2HB ALA 112 5.858 7.105 2.531 826 HB3 ALA 112 3HB ALA 112 6.110 6.039 3.913 827 H LEU 113 H LEU 113 8.712 8.272 5.165 828 HA LEU 113 HA LEU 113 8.729 10.866 4.005 829 HB2 LEU 113 1HB LEU 113 9.838 9.733 6.554 830 HB3 LEU 113 2HB LEU 113 10.071 11.421 6.106 831 HG LEU 113 HG LEU 113 7.337 10.192 6.346 832 HD11 LEU 113 1HD1 LEU 113 7.413 11.495 8.599 833 HD12 LEU 113 2HD1 LEU 113 9.153 11.238 8.471 834 HD13 LEU 113 3HD1 LEU 113 8.058 9.856 8.506 835 HD21 LEU 113 1HD2 LEU 113 8.377 12.743 5.574 836 HD22 LEU 113 2HD2 LEU 113 7.422 12.917 7.047 837 HD23 LEU 113 3HD2 LEU 113 6.704 12.187 5.610 838 H ASP 114 H ASP 114 11.230 8.460 4.663 839 HA ASP 114 HA ASP 114 13.498 9.946 4.107 840 HB2 ASP 114 1HB ASP 114 12.797 7.060 3.949 841 HB3 ASP 114 2HB ASP 114 14.272 7.575 3.137 842 H LEU 115 H LEU 115 11.235 8.410 1.893 843 HA LEU 115 HA LEU 115 12.824 9.150 -0.423 844 HB2 LEU 115 1HB LEU 115 10.045 8.020 -0.480 845 HB3 LEU 115 2HB LEU 115 11.302 7.910 -1.711 846 HG LEU 115 HG LEU 115 11.638 6.578 0.954 847 HD11 LEU 115 1HD1 LEU 115 9.685 5.521 0.405 848 HD12 LEU 115 2HD1 LEU 115 10.844 4.513 -0.462 849 HD13 LEU 115 3HD1 LEU 115 9.922 5.741 -1.329 850 HD21 LEU 115 1HD2 LEU 115 13.110 5.119 -0.312 851 HD22 LEU 115 2HD2 LEU 115 13.585 6.804 -0.522 852 HD23 LEU 115 3HD2 LEU 115 12.703 5.970 -1.802 853 H PHE 116 H PHE 116 9.848 10.114 1.188 854 HA PHE 116 HA PHE 116 8.675 11.756 -0.660 855 HB2 PHE 116 1HB PHE 116 7.503 11.515 1.349 856 HB3 PHE 116 2HB PHE 116 8.901 11.948 2.327 857 HD1 PHE 116 2HD PHE 116 6.661 13.435 -0.257 858 HD2 PHE 116 1HD PHE 116 8.957 14.037 3.276 859 HE1 PHE 116 2HE PHE 116 5.844 15.752 -0.125 860 HE2 PHE 116 1HE PHE 116 8.143 16.355 3.414 861 HZ PHE 116 HZ PHE 116 6.586 17.216 1.712 862 H SER 117 H SER 117 11.000 12.884 1.801 863 HA SER 117 HA SER 117 11.336 15.466 0.974 864 HB2 SER 117 1HB SER 117 12.458 14.114 2.923 865 HB3 SER 117 2HB SER 117 13.768 13.900 1.762 866 HG SER 117 HG SER 117 13.938 15.790 3.149 867 H ASP 118 H ASP 118 12.920 12.587 -0.331 868 HA ASP 118 HA ASP 118 14.665 13.895 -2.103 869 HB2 ASP 118 1HB ASP 118 13.563 11.140 -1.853 870 HB3 ASP 118 2HB ASP 118 14.297 11.585 -3.391 871 H ASN 119 H ASN 119 11.373 12.655 -2.558 872 HA ASN 119 HA ASN 119 11.159 14.352 -4.950 873 HB2 ASN 119 1HB ASN 119 9.481 12.392 -5.654 874 HB3 ASN 119 2HB ASN 119 11.192 12.358 -6.070 875 HD21 ASN 119 1HD2 ASN 119 12.141 10.503 -5.697 876 HD22 ASN 119 2HD2 ASN 119 11.717 9.364 -4.469 877 H ALA 120 H ALA 120 9.783 15.910 -4.395 878 HA ALA 120 HA ALA 120 7.073 15.378 -3.835 879 HB1 ALA 120 1HB ALA 120 8.812 15.505 -1.533 880 HB2 ALA 120 2HB ALA 120 7.580 16.766 -1.479 881 HB3 ALA 120 3HB ALA 120 7.105 15.074 -1.633 882 HA PRO 121 HA PRO 121 6.564 19.571 -5.024 883 HB2 PRO 121 1HB PRO 121 4.564 20.478 -3.428 884 HB3 PRO 121 2HB PRO 121 4.298 19.321 -4.739 885 HG2 PRO 121 1HG PRO 121 4.591 18.822 -1.801 886 HG3 PRO 121 2HG PRO 121 3.441 18.110 -2.948 887 HD2 PRO 121 1HD PRO 121 5.672 16.813 -2.126 888 HD3 PRO 121 2HD PRO 121 4.984 16.597 -3.749 889 HA PRO 122 HA PRO 122 8.735 22.460 -2.519 890 HB2 PRO 122 1HB PRO 122 7.470 24.805 -3.042 891 HB3 PRO 122 2HB PRO 122 8.506 23.989 -4.219 892 HG2 PRO 122 1HG PRO 122 5.520 23.984 -3.998 893 HG3 PRO 122 2HG PRO 122 6.535 24.133 -5.445 894 HD2 PRO 122 1HD PRO 122 5.348 21.806 -4.733 895 HD3 PRO 122 2HD PRO 122 6.914 21.863 -5.568 896 HA PRO 123 HA PRO 123 6.353 22.530 1.266 897 HB2 PRO 123 1HB PRO 123 8.401 23.340 2.854 898 HB3 PRO 123 2HB PRO 123 8.226 21.675 2.285 899 HG2 PRO 123 1HG PRO 123 9.965 23.868 1.222 900 HG3 PRO 123 2HG PRO 123 10.355 22.158 1.482 901 HD2 PRO 123 1HD PRO 123 9.738 23.158 -0.958 902 HD3 PRO 123 2HD PRO 123 9.332 21.498 -0.475 903 H GLU 124 H GLU 124 6.644 24.273 3.255 904 HA GLU 124 HA GLU 124 5.881 26.809 2.021 905 HB2 GLU 124 1HB GLU 124 4.313 25.876 3.622 906 HB3 GLU 124 2HB GLU 124 5.570 25.786 4.847 907 HG2 GLU 124 1HG GLU 124 4.365 27.673 5.435 908 HG3 GLU 124 2HG GLU 124 5.755 28.325 4.570 909 H LEU 125 H LEU 125 6.839 28.765 2.507 910 HA LEU 125 HA LEU 125 9.536 28.954 2.779 911 HB2 LEU 125 1HB LEU 125 7.367 30.862 3.587 912 HB3 LEU 125 2HB LEU 125 9.071 31.282 3.748 913 HG LEU 125 HG LEU 125 9.086 30.593 1.180 914 HD11 LEU 125 1HD1 LEU 125 6.944 30.006 0.665 915 HD12 LEU 125 2HD1 LEU 125 6.863 31.735 0.333 916 HD13 LEU 125 3HD1 LEU 125 6.237 31.100 1.854 917 HD21 LEU 125 1HD2 LEU 125 7.973 33.238 1.323 918 HD22 LEU 125 2HD2 LEU 125 9.631 32.737 0.993 919 HD23 LEU 125 3HD2 LEU 125 9.095 32.972 2.657 920 H LEU 126 H LEU 126 10.946 28.486 4.322 921 HA LEU 126 HA LEU 126 10.391 29.071 7.092 922 HB2 LEU 126 1HB LEU 126 9.462 26.724 6.470 923 HB3 LEU 126 2HB LEU 126 11.158 26.244 6.491 924 HG LEU 126 HG LEU 126 9.871 25.776 8.595 925 HD11 LEU 126 1HD1 LEU 126 12.469 26.477 8.234 926 HD12 LEU 126 2HD1 LEU 126 11.785 25.898 9.753 927 HD13 LEU 126 3HD1 LEU 126 11.966 27.630 9.471 928 HD21 LEU 126 1HD2 LEU 126 8.793 28.189 8.340 929 HD22 LEU 126 2HD2 LEU 126 10.164 28.628 9.359 930 HD23 LEU 126 3HD2 LEU 126 9.006 27.417 9.912 931 H GLU 127 H GLU 127 12.195 29.885 7.915 932 HA GLU 127 HA GLU 127 14.778 28.869 6.932 933 HB2 GLU 127 1HB GLU 127 14.327 31.077 5.957 934 HB3 GLU 127 2HB GLU 127 14.087 31.744 7.566 935 HG2 GLU 127 1HG GLU 127 16.665 30.394 6.974 936 HG3 GLU 127 2HG GLU 127 16.374 31.992 6.289 937 H SER 128 H SER 128 15.917 27.981 8.509 938 HA SER 128 HA SER 128 15.743 29.131 11.210 939 HB2 SER 128 1HB SER 128 14.385 27.008 10.979 940 HB3 SER 128 2HB SER 128 15.901 26.160 10.673 941 HG SER 128 HG SER 128 14.846 27.040 13.025 942 H GLY 129 H GLY 129 17.650 29.426 12.215 943 HA2 GLY 129 1HA GLY 129 19.924 28.087 12.361 944 HA3 GLY 129 2HA GLY 129 20.062 28.715 10.726 945 HA PRO 130 HA PRO 130 20.340 32.307 14.020 946 HB2 PRO 130 1HB PRO 130 21.624 31.515 16.276 947 HB3 PRO 130 2HB PRO 130 19.865 31.479 16.110 948 HG2 PRO 130 1HG PRO 130 21.841 29.249 15.818 949 HG3 PRO 130 2HG PRO 130 20.268 29.250 16.636 950 HD2 PRO 130 1HD PRO 130 20.620 28.221 14.157 951 HD3 PRO 130 2HD PRO 130 19.102 28.987 14.665 952 H SER 131 H SER 131 22.300 33.499 14.758 953 HA SER 131 HA SER 131 24.595 32.683 13.142 954 HB2 SER 131 1HB SER 131 24.028 35.322 14.514 955 HB3 SER 131 2HB SER 131 25.361 34.999 13.407 956 HG SER 131 HG SER 131 22.792 34.427 12.502 957 H SER 132 H SER 132 26.768 32.911 13.993 958 HA SER 132 HA SER 132 26.888 32.087 16.803 959 HB2 SER 132 1HB SER 132 27.916 30.658 14.980 960 HB3 SER 132 2HB SER 132 29.109 31.938 14.757 961 HG SER 132 HG SER 132 29.994 30.524 16.191 962 H GLY 133 H GLY 133 29.253 32.705 17.710 963 HA2 GLY 133 1HA GLY 133 30.812 34.402 18.156 964 HA3 GLY 133 2HA GLY 133 29.929 35.467 17.073 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -17.368 12.722 -2.595 2 HA2 GLY 1 1HA GLY 1 -17.196 12.264 0.121 3 HA3 GLY 1 2HA GLY 1 -18.397 11.524 -0.926 4 H SER 2 H SER 2 -17.308 10.290 1.364 5 HA SER 2 HA SER 2 -15.471 8.273 0.300 6 HB2 SER 2 1HB SER 2 -14.694 9.075 2.380 7 HB3 SER 2 2HB SER 2 -16.307 9.041 3.092 8 HG SER 2 HG SER 2 -14.798 7.278 3.669 9 H SER 3 H SER 3 -16.340 6.522 -0.568 10 HA SER 3 HA SER 3 -19.046 5.720 0.109 11 HB2 SER 3 1HB SER 3 -17.061 4.680 -1.923 12 HB3 SER 3 2HB SER 3 -18.672 4.000 -1.693 13 HG SER 3 HG SER 3 -19.539 5.699 -2.627 14 H GLY 4 H GLY 4 -15.851 4.129 0.011 15 HA2 GLY 4 1HA GLY 4 -16.118 2.891 2.520 16 HA3 GLY 4 2HA GLY 4 -16.651 1.759 1.286 17 H SER 5 H SER 5 -13.958 3.314 2.769 18 HA SER 5 HA SER 5 -12.158 1.464 1.429 19 HB2 SER 5 1HB SER 5 -10.594 3.155 0.709 20 HB3 SER 5 2HB SER 5 -12.177 3.551 0.039 21 HG SER 5 HG SER 5 -11.145 4.665 2.435 22 H SER 6 H SER 6 -10.265 1.037 2.581 23 HA SER 6 HA SER 6 -10.457 1.389 5.396 24 HB2 SER 6 1HB SER 6 -9.325 -0.516 3.972 25 HB3 SER 6 2HB SER 6 -7.906 0.525 4.088 26 HG SER 6 HG SER 6 -8.739 -1.175 5.875 27 H GLY 7 H GLY 7 -8.086 1.929 6.444 28 HA2 GLY 7 1HA GLY 7 -7.885 4.649 6.605 29 HA3 GLY 7 2HA GLY 7 -6.538 3.567 6.925 30 H ASP 8 H ASP 8 -8.055 5.657 4.583 31 HA ASP 8 HA ASP 8 -7.381 6.365 2.497 32 HB2 ASP 8 1HB ASP 8 -6.079 7.678 4.259 33 HB3 ASP 8 2HB ASP 8 -4.707 6.647 3.862 34 H VAL 9 H VAL 9 -7.065 3.471 2.937 35 HA VAL 9 HA VAL 9 -4.624 2.773 1.530 36 HB VAL 9 HB VAL 9 -6.901 1.000 2.424 37 HG11 VAL 9 1HG1 VAL 9 -4.158 -0.025 1.947 38 HG12 VAL 9 2HG1 VAL 9 -5.720 -0.818 1.731 39 HG13 VAL 9 3HG1 VAL 9 -5.148 0.347 0.536 40 HG21 VAL 9 1HG2 VAL 9 -5.013 0.337 4.118 41 HG22 VAL 9 2HG2 VAL 9 -4.419 1.961 3.771 42 HG23 VAL 9 3HG2 VAL 9 -6.041 1.737 4.426 43 H ILE 10 H ILE 10 -4.634 3.241 -0.586 44 HA ILE 10 HA ILE 10 -7.028 3.045 -2.180 45 HB ILE 10 HB ILE 10 -4.187 3.551 -3.073 46 HG12 ILE 10 1HG1 ILE 10 -6.353 5.613 -2.696 47 HG13 ILE 10 2HG1 ILE 10 -5.243 5.186 -1.398 48 HG21 ILE 10 1HG2 ILE 10 -5.126 4.361 -5.117 49 HG22 ILE 10 2HG2 ILE 10 -5.781 2.752 -4.818 50 HG23 ILE 10 3HG2 ILE 10 -6.766 4.178 -4.497 51 HD11 ILE 10 1HD1 ILE 10 -3.656 5.690 -3.654 52 HD12 ILE 10 2HD1 ILE 10 -4.862 6.975 -3.588 53 HD13 ILE 10 3HD1 ILE 10 -3.820 6.671 -2.198 54 H GLU 11 H GLU 11 -7.597 1.463 -3.572 55 HA GLU 11 HA GLU 11 -5.932 -0.953 -3.579 56 HB2 GLU 11 1HB GLU 11 -8.408 -0.939 -2.848 57 HB3 GLU 11 2HB GLU 11 -8.769 -0.796 -4.563 58 HG2 GLU 11 1HG GLU 11 -7.517 -2.878 -4.971 59 HG3 GLU 11 2HG GLU 11 -7.253 -3.031 -3.235 60 H LEU 12 H LEU 12 -4.915 -1.601 -5.362 61 HA LEU 12 HA LEU 12 -5.595 -0.275 -7.902 62 HB2 LEU 12 1HB LEU 12 -2.974 -1.493 -7.045 63 HB3 LEU 12 2HB LEU 12 -3.289 -0.697 -8.585 64 HG LEU 12 HG LEU 12 -3.336 0.644 -5.882 65 HD11 LEU 12 1HD1 LEU 12 -1.181 0.005 -7.686 66 HD12 LEU 12 2HD1 LEU 12 -1.127 0.721 -6.075 67 HD13 LEU 12 3HD1 LEU 12 -1.351 1.749 -7.490 68 HD21 LEU 12 1HD2 LEU 12 -3.517 2.711 -7.137 69 HD22 LEU 12 2HD2 LEU 12 -4.870 1.646 -7.522 70 HD23 LEU 12 3HD2 LEU 12 -3.528 1.814 -8.656 71 H THR 13 H THR 13 -4.855 -1.647 -9.851 72 HA THR 13 HA THR 13 -5.467 -4.488 -9.401 73 HB THR 13 HB THR 13 -6.564 -2.996 -11.777 74 HG1 THR 13 1HG THR 13 -8.199 -3.685 -9.597 75 HG21 THR 13 1HG2 THR 13 -8.210 -4.962 -11.608 76 HG22 THR 13 2HG2 THR 13 -7.024 -5.687 -10.523 77 HG23 THR 13 3HG2 THR 13 -6.580 -5.304 -12.186 78 H ASP 14 H ASP 14 -4.887 -5.855 -11.299 79 HA ASP 14 HA ASP 14 -2.242 -5.691 -11.969 80 HB2 ASP 14 1HB ASP 14 -4.395 -6.878 -13.732 81 HB3 ASP 14 2HB ASP 14 -2.685 -7.299 -13.739 82 H ASP 15 H ASP 15 -4.973 -4.247 -13.655 83 HA ASP 15 HA ASP 15 -3.153 -3.079 -15.635 84 HB2 ASP 15 1HB ASP 15 -6.178 -3.057 -15.583 85 HB3 ASP 15 2HB ASP 15 -5.151 -2.517 -16.909 86 H SER 16 H SER 16 -4.806 -2.324 -12.771 87 HA SER 16 HA SER 16 -4.692 0.560 -13.329 88 HB2 SER 16 1HB SER 16 -6.185 -1.013 -11.221 89 HB3 SER 16 2HB SER 16 -6.096 0.748 -11.238 90 HG SER 16 HG SER 16 -7.260 0.801 -13.088 91 H PHE 17 H PHE 17 -2.518 -1.447 -12.464 92 HA PHE 17 HA PHE 17 -1.680 -0.184 -9.958 93 HB2 PHE 17 1HB PHE 17 -1.441 -2.488 -9.721 94 HB3 PHE 17 2HB PHE 17 -0.906 -2.704 -11.385 95 HD1 PHE 17 2HD PHE 17 1.381 -1.497 -11.950 96 HD2 PHE 17 1HD PHE 17 0.120 -2.646 -8.050 97 HE1 PHE 17 2HE PHE 17 3.723 -1.497 -11.197 98 HE2 PHE 17 1HE PHE 17 2.460 -2.647 -7.290 99 HZ PHE 17 HZ PHE 17 4.265 -2.073 -8.864 100 H ASP 18 H ASP 18 -0.856 -0.438 -13.332 101 HA ASP 18 HA ASP 18 1.687 0.925 -12.971 102 HB2 ASP 18 1HB ASP 18 0.256 -0.112 -15.422 103 HB3 ASP 18 2HB ASP 18 1.793 0.746 -15.486 104 H LYS 19 H LYS 19 -1.360 1.517 -14.721 105 HA LYS 19 HA LYS 19 -0.735 4.157 -15.487 106 HB2 LYS 19 1HB LYS 19 -2.986 4.341 -16.189 107 HB3 LYS 19 2HB LYS 19 -2.551 2.656 -16.438 108 HG2 LYS 19 1HG LYS 19 -3.789 1.955 -14.557 109 HG3 LYS 19 2HG LYS 19 -3.975 3.610 -13.971 110 HD2 LYS 19 1HD LYS 19 -5.034 2.918 -16.669 111 HD3 LYS 19 2HD LYS 19 -5.929 2.382 -15.245 112 HE2 LYS 19 1HE LYS 19 -6.141 4.638 -14.459 113 HE3 LYS 19 2HE LYS 19 -5.071 5.231 -15.728 114 HZ1 LYS 19 1HZ LYS 19 -6.954 5.628 -16.830 115 HZ2 LYS 19 2HZ LYS 19 -7.881 4.624 -15.835 116 HZ3 LYS 19 3HZ LYS 19 -7.004 3.962 -17.121 117 H ASN 20 H ASN 20 -1.418 2.877 -12.460 118 HA ASN 20 HA ASN 20 -2.483 5.409 -11.430 119 HB2 ASN 20 1HB ASN 20 -2.391 2.611 -10.324 120 HB3 ASN 20 2HB ASN 20 -2.718 3.994 -9.284 121 HD21 ASN 20 1HD2 ASN 20 -3.780 2.501 -12.314 122 HD22 ASN 20 2HD2 ASN 20 -5.453 2.885 -12.117 123 H VAL 21 H VAL 21 0.312 3.345 -11.375 124 HA VAL 21 HA VAL 21 1.576 5.007 -9.312 125 HB VAL 21 HB VAL 21 2.338 2.330 -10.471 126 HG11 VAL 21 1HG1 VAL 21 3.891 4.030 -8.522 127 HG12 VAL 21 2HG1 VAL 21 4.270 2.363 -8.959 128 HG13 VAL 21 3HG1 VAL 21 4.367 3.638 -10.174 129 HG21 VAL 21 1HG2 VAL 21 0.969 1.681 -8.820 130 HG22 VAL 21 2HG2 VAL 21 2.299 2.116 -7.747 131 HG23 VAL 21 3HG2 VAL 21 0.996 3.266 -8.046 132 H LEU 22 H LEU 22 2.554 3.469 -12.384 133 HA LEU 22 HA LEU 22 4.814 5.013 -12.843 134 HB2 LEU 22 1HB LEU 22 3.022 4.031 -15.043 135 HB3 LEU 22 2HB LEU 22 4.773 4.227 -15.064 136 HG LEU 22 HG LEU 22 3.209 2.110 -13.591 137 HD11 LEU 22 1HD1 LEU 22 3.943 0.602 -15.170 138 HD12 LEU 22 2HD1 LEU 22 5.285 1.625 -15.681 139 HD13 LEU 22 3HD1 LEU 22 3.636 2.032 -16.156 140 HD21 LEU 22 1HD2 LEU 22 5.316 3.057 -12.461 141 HD22 LEU 22 2HD2 LEU 22 6.198 2.266 -13.767 142 HD23 LEU 22 3HD2 LEU 22 5.195 1.311 -12.674 143 H ASP 23 H ASP 23 1.557 5.490 -14.216 144 HA ASP 23 HA ASP 23 2.123 7.921 -15.500 145 HB2 ASP 23 1HB ASP 23 0.108 6.428 -15.864 146 HB3 ASP 23 2HB ASP 23 -0.570 7.120 -14.393 147 H SER 24 H SER 24 1.889 7.213 -12.214 148 HA SER 24 HA SER 24 1.210 9.983 -11.514 149 HB2 SER 24 1HB SER 24 -0.102 8.205 -10.400 150 HB3 SER 24 2HB SER 24 1.388 7.547 -9.723 151 HG SER 24 HG SER 24 1.532 9.958 -8.987 152 H GLU 25 H GLU 25 3.046 11.153 -11.671 153 HA GLU 25 HA GLU 25 5.648 10.356 -11.289 154 HB2 GLU 25 1HB GLU 25 4.335 13.026 -10.803 155 HB3 GLU 25 2HB GLU 25 6.071 12.792 -10.661 156 HG2 GLU 25 1HG GLU 25 6.359 12.498 -12.913 157 HG3 GLU 25 2HG GLU 25 4.710 11.928 -13.160 158 H ASP 26 H ASP 26 3.207 10.885 -8.915 159 HA ASP 26 HA ASP 26 4.946 11.275 -6.683 160 HB2 ASP 26 1HB ASP 26 2.032 10.522 -6.913 161 HB3 ASP 26 2HB ASP 26 2.849 10.694 -5.361 162 H VAL 27 H VAL 27 5.210 9.775 -4.899 163 HA VAL 27 HA VAL 27 5.954 7.166 -5.822 164 HB VAL 27 HB VAL 27 5.932 8.294 -3.018 165 HG11 VAL 27 1HG1 VAL 27 7.356 6.455 -2.408 166 HG12 VAL 27 2HG1 VAL 27 5.879 5.813 -3.130 167 HG13 VAL 27 3HG1 VAL 27 7.373 5.863 -4.068 168 HG21 VAL 27 1HG2 VAL 27 7.460 9.597 -4.189 169 HG22 VAL 27 2HG2 VAL 27 8.467 8.319 -3.509 170 HG23 VAL 27 3HG2 VAL 27 7.982 8.251 -5.203 171 H TRP 28 H TRP 28 5.092 5.181 -5.252 172 HA TRP 28 HA TRP 28 2.506 5.217 -3.851 173 HB2 TRP 28 1HB TRP 28 3.162 4.007 -6.522 174 HB3 TRP 28 2HB TRP 28 1.877 3.330 -5.525 175 HD1 TRP 28 HD TRP 28 2.810 6.620 -7.318 176 HE1 TRP 28 1HE TRP 28 0.636 7.900 -7.826 177 HE3 TRP 28 3HE TRP 28 -0.511 3.565 -4.913 178 HZ2 TRP 28 2HZ TRP 28 -2.122 7.648 -7.280 179 HZ3 TRP 28 3HZ TRP 28 -2.899 4.157 -4.953 180 HH2 TRP 28 HH TRP 28 -3.686 6.156 -6.112 181 H MET 29 H MET 29 2.785 4.074 -2.053 182 HA MET 29 HA MET 29 4.723 1.915 -1.955 183 HB2 MET 29 1HB MET 29 3.165 3.478 0.041 184 HB3 MET 29 2HB MET 29 3.668 1.855 0.495 185 HG2 MET 29 1HG MET 29 5.996 2.460 -0.014 186 HG3 MET 29 2HG MET 29 5.467 4.098 -0.392 187 HE1 MET 29 1HE MET 29 7.251 2.173 1.755 188 HE2 MET 29 2HE MET 29 7.057 2.760 3.407 189 HE3 MET 29 3HE MET 29 5.977 1.513 2.781 190 H VAL 30 H VAL 30 3.986 0.125 -2.968 191 HA VAL 30 HA VAL 30 1.243 -0.752 -2.648 192 HB VAL 30 HB VAL 30 3.517 -2.156 -4.056 193 HG11 VAL 30 1HG1 VAL 30 1.718 -3.335 -5.241 194 HG12 VAL 30 2HG1 VAL 30 1.667 -3.633 -3.502 195 HG13 VAL 30 3HG1 VAL 30 0.526 -2.507 -4.240 196 HG21 VAL 30 1HG2 VAL 30 2.707 0.249 -4.793 197 HG22 VAL 30 2HG2 VAL 30 3.070 -1.004 -5.980 198 HG23 VAL 30 3HG2 VAL 30 1.398 -0.677 -5.528 199 H GLU 31 H GLU 31 0.529 -2.242 -1.257 200 HA GLU 31 HA GLU 31 2.513 -3.900 0.153 201 HB2 GLU 31 1HB GLU 31 1.857 -2.222 1.719 202 HB3 GLU 31 2HB GLU 31 0.159 -2.406 1.304 203 HG2 GLU 31 1HG GLU 31 0.457 -3.451 3.392 204 HG3 GLU 31 2HG GLU 31 0.299 -4.745 2.206 205 H PHE 32 H PHE 32 2.144 -5.776 -0.945 206 HA PHE 32 HA PHE 32 -0.446 -6.723 -1.634 207 HB2 PHE 32 1HB PHE 32 2.147 -8.266 -1.415 208 HB3 PHE 32 2HB PHE 32 0.693 -8.801 -2.250 209 HD1 PHE 32 2HD PHE 32 3.436 -6.338 -2.296 210 HD2 PHE 32 1HD PHE 32 0.203 -8.082 -4.447 211 HE1 PHE 32 2HE PHE 32 4.231 -5.259 -4.360 212 HE2 PHE 32 1HE PHE 32 0.994 -7.007 -6.514 213 HZ PHE 32 HZ PHE 32 3.009 -5.592 -6.472 214 H TYR 33 H TYR 33 -1.881 -7.835 -0.474 215 HA TYR 33 HA TYR 33 -0.995 -9.279 1.915 216 HB2 TYR 33 1HB TYR 33 -2.546 -8.259 3.358 217 HB3 TYR 33 2HB TYR 33 -1.847 -6.917 2.459 218 HD1 TYR 33 1HD TYR 33 -4.765 -9.242 2.390 219 HD2 TYR 33 2HD TYR 33 -3.255 -5.379 1.443 220 HE1 TYR 33 1HE TYR 33 -7.020 -8.534 1.708 221 HE2 TYR 33 2HE TYR 33 -5.505 -4.660 0.760 222 HH TYR 33 HH TYR 33 -7.738 -6.219 -0.144 223 H ALA 34 H ALA 34 -2.755 -10.693 2.792 224 HA ALA 34 HA ALA 34 -4.514 -11.642 0.625 225 HB1 ALA 34 1HB ALA 34 -2.889 -13.303 0.744 226 HB2 ALA 34 2HB ALA 34 -2.773 -13.200 2.502 227 HB3 ALA 34 3HB ALA 34 -4.192 -13.932 1.752 228 HA PRO 35 HA PRO 35 -7.798 -11.038 3.513 229 HB2 PRO 35 1HB PRO 35 -9.687 -12.532 2.260 230 HB3 PRO 35 2HB PRO 35 -9.178 -10.942 1.679 231 HG2 PRO 35 1HG PRO 35 -8.339 -13.658 0.741 232 HG3 PRO 35 2HG PRO 35 -8.748 -12.222 -0.214 233 HD2 PRO 35 1HD PRO 35 -6.191 -12.968 0.274 234 HD3 PRO 35 2HD PRO 35 -6.673 -11.268 0.099 235 H TRP 36 H TRP 36 -6.489 -14.134 2.702 236 HA TRP 36 HA TRP 36 -7.913 -15.391 4.945 237 HB2 TRP 36 1HB TRP 36 -6.791 -17.507 3.876 238 HB3 TRP 36 2HB TRP 36 -8.228 -16.804 3.139 239 HD1 TRP 36 HD TRP 36 -8.051 -16.420 0.619 240 HE1 TRP 36 1HE TRP 36 -6.134 -16.182 -1.083 241 HE3 TRP 36 3HE TRP 36 -4.083 -16.556 3.840 242 HZ2 TRP 36 2HZ TRP 36 -3.314 -16.067 -1.062 243 HZ3 TRP 36 3HZ TRP 36 -1.809 -16.377 2.918 244 HH2 TRP 36 HH TRP 36 -1.434 -16.138 0.518 245 H CYS 37 H CYS 37 -5.296 -13.645 4.668 246 HA CYS 37 HA CYS 37 -3.574 -15.424 6.258 247 HB2 CYS 37 1HB CYS 37 -2.569 -14.556 4.170 248 HB3 CYS 37 2HB CYS 37 -2.816 -12.914 4.750 249 HG CYS 37 HG CYS 37 -1.169 -14.540 7.052 250 H GLY 38 H GLY 38 -3.243 -14.980 8.343 251 HA2 GLY 38 1HA GLY 38 -4.680 -12.966 9.681 252 HA3 GLY 38 2HA GLY 38 -3.379 -13.922 10.374 253 H HIS 39 H HIS 39 -1.175 -13.198 9.067 254 HA HIS 39 HA HIS 39 -0.240 -10.953 10.233 255 HB2 HIS 39 1HB HIS 39 0.471 -11.955 7.470 256 HB3 HIS 39 2HB HIS 39 1.421 -10.785 8.380 257 HD1 HIS 39 1HD HIS 39 3.251 -11.758 9.726 258 HD2 HIS 39 2HD HIS 39 0.241 -14.524 8.982 259 HE1 HIS 39 1HE HIS 39 4.071 -13.924 10.706 260 HE2 HIS 39 2HE HIS 39 2.271 -15.602 10.169 261 H CYS 40 H CYS 40 -2.194 -11.099 7.328 262 HA CYS 40 HA CYS 40 -1.867 -8.348 6.630 263 HB2 CYS 40 1HB CYS 40 -2.497 -9.637 4.807 264 HB3 CYS 40 2HB CYS 40 -3.662 -10.571 5.739 265 HG CYS 40 HG CYS 40 -5.482 -9.322 4.353 266 H LYS 41 H LYS 41 -4.661 -10.151 7.926 267 HA LYS 41 HA LYS 41 -6.389 -8.093 8.400 268 HB2 LYS 41 1HB LYS 41 -5.870 -10.535 10.100 269 HB3 LYS 41 2HB LYS 41 -7.243 -9.461 10.334 270 HG2 LYS 41 1HG LYS 41 -8.217 -10.071 8.299 271 HG3 LYS 41 2HG LYS 41 -6.717 -10.778 7.693 272 HD2 LYS 41 1HD LYS 41 -8.017 -12.631 8.265 273 HD3 LYS 41 2HD LYS 41 -6.946 -12.427 9.653 274 HE2 LYS 41 1HE LYS 41 -8.851 -11.012 10.645 275 HE3 LYS 41 2HE LYS 41 -9.859 -11.753 9.402 276 HZ1 LYS 41 1HZ LYS 41 -8.962 -13.944 10.310 277 HZ2 LYS 41 2HZ LYS 41 -10.110 -13.125 11.244 278 HZ3 LYS 41 3HZ LYS 41 -8.473 -13.053 11.663 279 H ASN 42 H ASN 42 -3.688 -9.113 10.444 280 HA ASN 42 HA ASN 42 -4.234 -7.226 12.516 281 HB2 ASN 42 1HB ASN 42 -1.849 -8.945 11.850 282 HB3 ASN 42 2HB ASN 42 -1.829 -7.808 13.194 283 HD21 ASN 42 1HD2 ASN 42 -1.427 -9.858 14.360 284 HD22 ASN 42 2HD2 ASN 42 -2.798 -10.757 14.907 285 H LEU 43 H LEU 43 -2.406 -7.183 9.553 286 HA LEU 43 HA LEU 43 -0.968 -4.770 10.197 287 HB2 LEU 43 1HB LEU 43 0.143 -6.258 8.745 288 HB3 LEU 43 2HB LEU 43 -1.271 -6.419 7.705 289 HG LEU 43 HG LEU 43 -0.890 -3.911 7.195 290 HD11 LEU 43 1HD1 LEU 43 1.331 -3.094 7.439 291 HD12 LEU 43 2HD1 LEU 43 1.900 -4.645 8.057 292 HD13 LEU 43 3HD1 LEU 43 0.802 -3.660 9.024 293 HD21 LEU 43 1HD2 LEU 43 1.190 -4.814 5.697 294 HD22 LEU 43 2HD2 LEU 43 -0.512 -5.073 5.312 295 HD23 LEU 43 3HD2 LEU 43 0.403 -6.327 6.149 296 H GLU 44 H GLU 44 -4.016 -5.590 8.827 297 HA GLU 44 HA GLU 44 -4.708 -3.664 7.090 298 HB2 GLU 44 1HB GLU 44 -6.473 -5.046 7.631 299 HB3 GLU 44 2HB GLU 44 -6.199 -4.897 9.361 300 HG2 GLU 44 1HG GLU 44 -7.078 -2.485 7.874 301 HG3 GLU 44 2HG GLU 44 -8.257 -3.761 8.169 302 HA PRO 45 HA PRO 45 -5.404 -0.386 10.588 303 HB2 PRO 45 1HB PRO 45 -4.312 -0.938 13.011 304 HB3 PRO 45 2HB PRO 45 -5.956 -1.411 12.569 305 HG2 PRO 45 1HG PRO 45 -3.450 -3.048 12.572 306 HG3 PRO 45 2HG PRO 45 -5.075 -3.488 13.132 307 HD2 PRO 45 1HD PRO 45 -4.101 -4.269 10.729 308 HD3 PRO 45 2HD PRO 45 -5.824 -3.940 10.999 309 H GLU 46 H GLU 46 -2.380 -2.200 11.128 310 HA GLU 46 HA GLU 46 -0.715 -0.037 11.650 311 HB2 GLU 46 1HB GLU 46 -0.219 -2.760 10.483 312 HB3 GLU 46 2HB GLU 46 1.092 -1.598 10.633 313 HG2 GLU 46 1HG GLU 46 1.353 -2.656 12.609 314 HG3 GLU 46 2HG GLU 46 0.169 -1.452 13.115 315 H TRP 47 H TRP 47 -2.003 -1.202 8.641 316 HA TRP 47 HA TRP 47 -0.214 0.487 7.074 317 HB2 TRP 47 1HB TRP 47 -0.863 -1.853 6.354 318 HB3 TRP 47 2HB TRP 47 -2.484 -1.229 6.059 319 HD1 TRP 47 HD TRP 47 -2.903 -0.019 3.798 320 HE1 TRP 47 1HE TRP 47 -1.437 0.543 1.758 321 HE3 TRP 47 3HE TRP 47 1.679 -1.176 5.748 322 HZ2 TRP 47 2HZ TRP 47 1.299 0.500 1.067 323 HZ3 TRP 47 3HZ TRP 47 3.670 -0.888 4.331 324 HH2 TRP 47 HH TRP 47 3.482 -0.068 2.040 325 H ALA 48 H ALA 48 -3.608 0.247 7.992 326 HA ALA 48 HA ALA 48 -4.679 2.214 6.338 327 HB1 ALA 48 1HB ALA 48 -6.039 2.417 8.778 328 HB2 ALA 48 2HB ALA 48 -6.489 1.452 7.372 329 HB3 ALA 48 3HB ALA 48 -5.512 0.739 8.655 330 H ALA 49 H ALA 49 -3.467 2.560 9.674 331 HA ALA 49 HA ALA 49 -3.801 5.346 9.829 332 HB1 ALA 49 1HB ALA 49 -1.931 3.511 11.319 333 HB2 ALA 49 2HB ALA 49 -2.193 5.208 11.724 334 HB3 ALA 49 3HB ALA 49 -3.527 4.060 11.832 335 H ALA 50 H ALA 50 -0.922 3.400 9.057 336 HA ALA 50 HA ALA 50 0.933 5.414 8.735 337 HB1 ALA 50 1HB ALA 50 2.239 3.725 8.122 338 HB2 ALA 50 2HB ALA 50 0.822 2.677 8.208 339 HB3 ALA 50 3HB ALA 50 1.272 3.427 6.677 340 H ALA 51 H ALA 51 -1.363 4.158 6.335 341 HA ALA 51 HA ALA 51 -0.540 5.631 4.129 342 HB1 ALA 51 1HB ALA 51 -2.623 5.133 3.150 343 HB2 ALA 51 2HB ALA 51 -2.271 3.780 4.226 344 HB3 ALA 51 3HB ALA 51 -3.423 5.021 4.718 345 H SER 52 H SER 52 -2.691 6.543 6.777 346 HA SER 52 HA SER 52 -3.305 9.109 5.614 347 HB2 SER 52 1HB SER 52 -4.006 7.715 8.175 348 HB3 SER 52 2HB SER 52 -4.267 9.453 8.029 349 HG SER 52 HG SER 52 -6.125 8.456 7.353 350 H GLU 53 H GLU 53 -1.052 7.810 7.946 351 HA GLU 53 HA GLU 53 -0.238 10.363 8.973 352 HB2 GLU 53 1HB GLU 53 0.029 8.504 10.432 353 HB3 GLU 53 2HB GLU 53 0.896 7.581 9.212 354 HG2 GLU 53 1HG GLU 53 2.511 8.298 10.759 355 HG3 GLU 53 2HG GLU 53 2.704 9.329 9.342 356 H VAL 54 H VAL 54 0.544 8.459 6.230 357 HA VAL 54 HA VAL 54 3.138 9.675 5.800 358 HB VAL 54 HB VAL 54 1.483 7.785 4.132 359 HG11 VAL 54 1HG1 VAL 54 4.254 8.806 3.522 360 HG12 VAL 54 2HG1 VAL 54 3.314 7.654 2.571 361 HG13 VAL 54 3HG1 VAL 54 2.784 9.332 2.701 362 HG21 VAL 54 1HG2 VAL 54 2.504 6.193 5.294 363 HG22 VAL 54 2HG2 VAL 54 4.077 6.825 4.810 364 HG23 VAL 54 3HG2 VAL 54 3.298 7.424 6.275 365 H LYS 55 H LYS 55 -0.128 9.909 4.478 366 HA LYS 55 HA LYS 55 0.589 11.798 2.447 367 HB2 LYS 55 1HB LYS 55 -1.681 11.823 1.864 368 HB3 LYS 55 2HB LYS 55 -1.411 10.188 2.453 369 HG2 LYS 55 1HG LYS 55 -2.543 10.597 4.456 370 HG3 LYS 55 2HG LYS 55 -2.456 12.348 4.249 371 HD2 LYS 55 1HD LYS 55 -3.892 10.748 2.190 372 HD3 LYS 55 2HD LYS 55 -4.677 11.006 3.749 373 HE2 LYS 55 1HE LYS 55 -4.087 13.488 3.386 374 HE3 LYS 55 2HE LYS 55 -3.830 13.030 1.703 375 HZ1 LYS 55 1HZ LYS 55 -6.032 12.634 1.376 376 HZ2 LYS 55 2HZ LYS 55 -6.159 13.838 2.557 377 HZ3 LYS 55 3HZ LYS 55 -6.331 12.211 2.987 378 H GLU 56 H GLU 56 -0.161 11.980 5.788 379 HA GLU 56 HA GLU 56 -1.046 14.720 5.758 380 HB2 GLU 56 1HB GLU 56 -1.441 14.479 8.006 381 HB3 GLU 56 2HB GLU 56 -1.521 12.797 7.500 382 HG2 GLU 56 1HG GLU 56 0.780 12.459 8.216 383 HG3 GLU 56 2HG GLU 56 0.885 14.150 8.700 384 H GLN 57 H GLN 57 1.967 13.012 6.159 385 HA GLN 57 HA GLN 57 3.356 15.453 6.960 386 HB2 GLN 57 1HB GLN 57 4.356 12.617 6.648 387 HB3 GLN 57 2HB GLN 57 5.327 13.971 7.212 388 HG2 GLN 57 1HG GLN 57 3.751 14.242 9.107 389 HG3 GLN 57 2HG GLN 57 2.920 12.783 8.569 390 HE21 GLN 57 1HE2 GLN 57 4.301 10.829 8.370 391 HE22 GLN 57 2HE2 GLN 57 5.525 10.586 9.565 392 H THR 58 H THR 58 3.236 13.124 4.310 393 HA THR 58 HA THR 58 5.267 14.511 2.795 394 HB THR 58 HB THR 58 4.915 12.862 1.076 395 HG1 THR 58 1HG THR 58 2.527 12.361 2.508 396 HG21 THR 58 1HG2 THR 58 4.750 11.622 3.826 397 HG22 THR 58 2HG2 THR 58 6.218 12.101 2.974 398 HG23 THR 58 3HG2 THR 58 5.236 10.771 2.361 399 H LYS 59 H LYS 59 2.551 15.715 3.573 400 HA LYS 59 HA LYS 59 0.983 17.101 2.675 401 HB2 LYS 59 1HB LYS 59 3.190 17.392 0.634 402 HB3 LYS 59 2HB LYS 59 1.749 18.399 0.652 403 HG2 LYS 59 1HG LYS 59 3.481 18.178 3.080 404 HG3 LYS 59 2HG LYS 59 3.903 19.272 1.761 405 HD2 LYS 59 1HD LYS 59 1.506 20.156 1.984 406 HD3 LYS 59 2HD LYS 59 1.478 19.312 3.535 407 HE2 LYS 59 1HE LYS 59 3.770 21.114 2.931 408 HE3 LYS 59 2HE LYS 59 2.219 21.839 3.350 409 HZ1 LYS 59 1HZ LYS 59 3.566 21.542 5.312 410 HZ2 LYS 59 2HZ LYS 59 3.740 19.890 4.996 411 HZ3 LYS 59 3HZ LYS 59 2.221 20.520 5.394 412 H GLY 60 H GLY 60 0.952 14.242 1.903 413 HA2 GLY 60 1HA GLY 60 -0.590 13.007 0.686 414 HA3 GLY 60 2HA GLY 60 -1.048 14.475 -0.166 415 H LYS 61 H LYS 61 2.304 13.790 -0.071 416 HA LYS 61 HA LYS 61 2.385 13.463 -2.922 417 HB2 LYS 61 1HB LYS 61 4.184 14.695 -2.076 418 HB3 LYS 61 2HB LYS 61 4.450 13.575 -0.746 419 HG2 LYS 61 1HG LYS 61 6.232 13.369 -2.345 420 HG3 LYS 61 2HG LYS 61 5.259 11.896 -2.357 421 HD2 LYS 61 1HD LYS 61 5.493 12.278 -4.611 422 HD3 LYS 61 2HD LYS 61 3.980 13.129 -4.288 423 HE2 LYS 61 1HE LYS 61 5.209 15.235 -4.097 424 HE3 LYS 61 2HE LYS 61 6.721 14.385 -4.411 425 HZ1 LYS 61 1HZ LYS 61 5.912 13.792 -6.595 426 HZ2 LYS 61 2HZ LYS 61 5.854 15.471 -6.398 427 HZ3 LYS 61 3HZ LYS 61 4.433 14.558 -6.297 428 H VAL 62 H VAL 62 3.764 11.448 -0.318 429 HA VAL 62 HA VAL 62 3.892 9.148 -2.026 430 HB VAL 62 HB VAL 62 4.230 9.232 0.973 431 HG11 VAL 62 1HG1 VAL 62 4.018 7.054 -0.596 432 HG12 VAL 62 2HG1 VAL 62 5.754 7.352 -0.711 433 HG13 VAL 62 3HG1 VAL 62 5.002 7.114 0.866 434 HG21 VAL 62 1HG2 VAL 62 6.326 9.585 -1.169 435 HG22 VAL 62 2HG2 VAL 62 5.705 10.862 -0.123 436 HG23 VAL 62 3HG2 VAL 62 6.613 9.518 0.570 437 H LYS 63 H LYS 63 2.108 8.091 -2.590 438 HA LYS 63 HA LYS 63 -0.118 7.891 -0.698 439 HB2 LYS 63 1HB LYS 63 0.053 7.218 -3.641 440 HB3 LYS 63 2HB LYS 63 -1.394 7.043 -2.656 441 HG2 LYS 63 1HG LYS 63 -1.593 9.377 -2.361 442 HG3 LYS 63 2HG LYS 63 0.028 9.667 -2.998 443 HD2 LYS 63 1HD LYS 63 -0.629 9.375 -5.176 444 HD3 LYS 63 2HD LYS 63 -1.959 8.298 -4.744 445 HE2 LYS 63 1HE LYS 63 -3.148 10.162 -5.307 446 HE3 LYS 63 2HE LYS 63 -2.886 10.490 -3.595 447 HZ1 LYS 63 1HZ LYS 63 -1.121 11.962 -4.109 448 HZ2 LYS 63 2HZ LYS 63 -2.411 12.387 -5.117 449 HZ3 LYS 63 3HZ LYS 63 -1.107 11.507 -5.738 450 H LEU 64 H LEU 64 -0.910 5.962 0.055 451 HA LEU 64 HA LEU 64 0.803 3.616 -0.415 452 HB2 LEU 64 1HB LEU 64 -0.665 4.652 1.944 453 HB3 LEU 64 2HB LEU 64 -0.555 2.902 1.763 454 HG LEU 64 HG LEU 64 1.957 3.216 1.611 455 HD11 LEU 64 1HD1 LEU 64 1.142 5.976 2.480 456 HD12 LEU 64 2HD1 LEU 64 2.165 5.516 1.120 457 HD13 LEU 64 3HD1 LEU 64 2.750 5.314 2.771 458 HD21 LEU 64 1HD2 LEU 64 0.553 2.506 3.641 459 HD22 LEU 64 2HD2 LEU 64 0.854 4.137 4.243 460 HD23 LEU 64 3HD2 LEU 64 2.207 3.051 3.923 461 H ALA 65 H ALA 65 -0.020 1.882 -1.389 462 HA ALA 65 HA ALA 65 -2.947 1.587 -1.508 463 HB1 ALA 65 1HB ALA 65 -2.211 2.465 -3.640 464 HB2 ALA 65 2HB ALA 65 -1.014 1.177 -3.786 465 HB3 ALA 65 3HB ALA 65 -2.735 0.791 -3.827 466 H ALA 66 H ALA 66 -3.666 -0.623 -1.976 467 HA ALA 66 HA ALA 66 -1.710 -2.664 -1.151 468 HB1 ALA 66 1HB ALA 66 -4.589 -2.679 -0.276 469 HB2 ALA 66 2HB ALA 66 -3.268 -3.696 0.302 470 HB3 ALA 66 3HB ALA 66 -3.292 -1.975 0.690 471 H VAL 67 H VAL 67 -2.146 -4.813 -1.890 472 HA VAL 67 HA VAL 67 -4.169 -5.093 -3.983 473 HB VAL 67 HB VAL 67 -1.256 -5.758 -4.437 474 HG11 VAL 67 1HG1 VAL 67 -3.522 -5.900 -6.413 475 HG12 VAL 67 2HG1 VAL 67 -1.874 -6.503 -6.600 476 HG13 VAL 67 3HG1 VAL 67 -2.978 -7.286 -5.469 477 HG21 VAL 67 1HG2 VAL 67 -1.926 -4.020 -6.398 478 HG22 VAL 67 2HG2 VAL 67 -2.898 -3.397 -5.064 479 HG23 VAL 67 3HG2 VAL 67 -1.150 -3.552 -4.885 480 H ASP 68 H ASP 68 -4.954 -7.148 -4.224 481 HA ASP 68 HA ASP 68 -4.210 -9.041 -2.143 482 HB2 ASP 68 1HB ASP 68 -6.613 -8.443 -2.680 483 HB3 ASP 68 2HB ASP 68 -6.413 -9.331 -4.188 484 H ALA 69 H ALA 69 -2.485 -10.253 -2.621 485 HA ALA 69 HA ALA 69 -1.539 -10.916 -5.150 486 HB1 ALA 69 1HB ALA 69 -1.091 -12.854 -2.949 487 HB2 ALA 69 2HB ALA 69 0.056 -12.140 -4.084 488 HB3 ALA 69 3HB ALA 69 -0.531 -11.198 -2.714 489 H THR 70 H THR 70 -4.295 -12.059 -3.568 490 HA THR 70 HA THR 70 -4.338 -14.672 -4.803 491 HB THR 70 HB THR 70 -6.484 -14.979 -3.765 492 HG1 THR 70 1HG THR 70 -7.728 -13.277 -3.636 493 HG21 THR 70 1HG2 THR 70 -4.412 -13.619 -2.073 494 HG22 THR 70 2HG2 THR 70 -4.821 -15.333 -2.166 495 HG23 THR 70 3HG2 THR 70 -5.917 -14.206 -1.367 496 H VAL 71 H VAL 71 -5.396 -11.478 -5.564 497 HA VAL 71 HA VAL 71 -7.038 -12.499 -7.783 498 HB VAL 71 HB VAL 71 -6.989 -9.747 -6.537 499 HG11 VAL 71 1HG1 VAL 71 -8.936 -10.725 -8.603 500 HG12 VAL 71 2HG1 VAL 71 -8.641 -9.072 -8.059 501 HG13 VAL 71 3HG1 VAL 71 -7.439 -9.906 -9.045 502 HG21 VAL 71 1HG2 VAL 71 -8.986 -11.999 -6.420 503 HG22 VAL 71 2HG2 VAL 71 -8.088 -11.287 -5.080 504 HG23 VAL 71 3HG2 VAL 71 -9.336 -10.350 -5.902 505 H ASN 72 H ASN 72 -4.340 -10.402 -6.960 506 HA ASN 72 HA ASN 72 -3.936 -9.628 -9.729 507 HB2 ASN 72 1HB ASN 72 -2.764 -8.845 -7.102 508 HB3 ASN 72 2HB ASN 72 -1.778 -8.612 -8.543 509 HD21 ASN 72 1HD2 ASN 72 -4.993 -7.953 -7.229 510 HD22 ASN 72 2HD2 ASN 72 -5.197 -6.432 -8.022 511 H GLN 73 H GLN 73 -3.024 -11.057 -11.049 512 HA GLN 73 HA GLN 73 -0.922 -12.821 -9.994 513 HB2 GLN 73 1HB GLN 73 -2.668 -13.094 -12.446 514 HB3 GLN 73 2HB GLN 73 -1.369 -14.201 -12.024 515 HG2 GLN 73 1HG GLN 73 -3.556 -13.662 -10.068 516 HG3 GLN 73 2HG GLN 73 -3.821 -14.775 -11.409 517 HE21 GLN 73 1HE2 GLN 73 -3.331 -14.885 -8.329 518 HE22 GLN 73 2HE2 GLN 73 -2.254 -16.226 -8.172 519 H VAL 74 H VAL 74 -1.719 -10.615 -12.632 520 HA VAL 74 HA VAL 74 0.559 -10.886 -14.192 521 HB VAL 74 HB VAL 74 -0.950 -8.323 -13.663 522 HG11 VAL 74 1HG1 VAL 74 -0.042 -8.447 -16.311 523 HG12 VAL 74 2HG1 VAL 74 0.538 -7.388 -15.024 524 HG13 VAL 74 3HG1 VAL 74 1.322 -8.942 -15.308 525 HG21 VAL 74 1HG2 VAL 74 -1.449 -10.027 -16.047 526 HG22 VAL 74 2HG2 VAL 74 -2.151 -10.522 -14.507 527 HG23 VAL 74 3HG2 VAL 74 -2.540 -8.942 -15.185 528 H LEU 75 H LEU 75 0.037 -8.947 -11.288 529 HA LEU 75 HA LEU 75 2.721 -7.849 -11.410 530 HB2 LEU 75 1HB LEU 75 0.857 -7.574 -9.083 531 HB3 LEU 75 2HB LEU 75 2.112 -6.466 -9.635 532 HG LEU 75 HG LEU 75 -0.370 -6.970 -11.251 533 HD11 LEU 75 1HD1 LEU 75 -1.471 -5.164 -10.197 534 HD12 LEU 75 2HD1 LEU 75 -0.037 -4.736 -9.266 535 HD13 LEU 75 3HD1 LEU 75 -0.912 -6.223 -8.903 536 HD21 LEU 75 1HD2 LEU 75 1.680 -4.765 -11.138 537 HD22 LEU 75 2HD2 LEU 75 0.183 -4.677 -12.067 538 HD23 LEU 75 3HD2 LEU 75 1.393 -5.900 -12.458 539 H ALA 76 H ALA 76 0.851 -9.888 -9.164 540 HA ALA 76 HA ALA 76 2.798 -10.474 -7.317 541 HB1 ALA 76 1HB ALA 76 0.668 -11.262 -6.816 542 HB2 ALA 76 2HB ALA 76 0.500 -12.084 -8.368 543 HB3 ALA 76 3HB ALA 76 1.581 -12.736 -7.137 544 H SER 77 H SER 77 2.293 -11.941 -10.488 545 HA SER 77 HA SER 77 4.367 -13.898 -10.131 546 HB2 SER 77 1HB SER 77 2.287 -14.040 -11.672 547 HB3 SER 77 2HB SER 77 3.244 -13.078 -12.799 548 HG SER 77 HG SER 77 4.299 -15.422 -11.645 549 H ARG 78 H ARG 78 4.062 -10.756 -11.693 550 HA ARG 78 HA ARG 78 6.397 -10.670 -13.164 551 HB2 ARG 78 1HB ARG 78 4.571 -8.920 -13.052 552 HB3 ARG 78 2HB ARG 78 5.323 -8.343 -11.571 553 HG2 ARG 78 1HG ARG 78 7.404 -7.924 -12.828 554 HG3 ARG 78 2HG ARG 78 6.576 -8.417 -14.307 555 HD2 ARG 78 1HD ARG 78 4.833 -6.606 -13.559 556 HD3 ARG 78 2HD ARG 78 6.197 -5.976 -12.636 557 HE ARG 78 HE ARG 78 7.089 -5.203 -14.586 558 HH11 ARG 78 2HH1 ARG 78 4.760 -7.681 -15.332 559 HH12 ARG 78 1HH1 ARG 78 4.866 -7.448 -17.046 560 HH21 ARG 78 2HH2 ARG 78 7.237 -4.886 -16.840 561 HH22 ARG 78 1HH2 ARG 78 6.276 -5.858 -17.903 562 H TYR 79 H TYR 79 5.953 -9.684 -9.770 563 HA TYR 79 HA TYR 79 8.868 -9.643 -9.447 564 HB2 TYR 79 1HB TYR 79 6.769 -8.676 -7.499 565 HB3 TYR 79 2HB TYR 79 8.500 -8.364 -7.437 566 HD1 TYR 79 1HD TYR 79 9.540 -6.861 -9.136 567 HD2 TYR 79 2HD TYR 79 5.323 -7.334 -8.825 568 HE1 TYR 79 1HE TYR 79 9.219 -4.795 -10.431 569 HE2 TYR 79 2HE TYR 79 4.990 -5.270 -10.121 570 HH TYR 79 HH TYR 79 6.135 -3.281 -10.741 571 H GLY 80 H GLY 80 6.125 -11.540 -8.769 572 HA2 GLY 80 1HA GLY 80 6.056 -13.666 -7.845 573 HA3 GLY 80 2HA GLY 80 7.744 -13.489 -7.388 574 H ILE 81 H ILE 81 4.431 -12.833 -6.457 575 HA ILE 81 HA ILE 81 5.343 -12.084 -3.765 576 HB ILE 81 HB ILE 81 2.605 -11.765 -5.000 577 HG12 ILE 81 1HG1 ILE 81 4.291 -10.279 -6.004 578 HG13 ILE 81 2HG1 ILE 81 3.126 -9.372 -5.047 579 HG21 ILE 81 1HG2 ILE 81 2.735 -10.095 -2.837 580 HG22 ILE 81 2HG2 ILE 81 1.954 -11.675 -2.862 581 HG23 ILE 81 3HG2 ILE 81 3.606 -11.518 -2.268 582 HD11 ILE 81 1HD1 ILE 81 5.983 -9.999 -4.419 583 HD12 ILE 81 2HD1 ILE 81 5.184 -8.429 -4.515 584 HD13 ILE 81 3HD1 ILE 81 4.845 -9.511 -3.164 585 H ARG 82 H ARG 82 5.390 -13.676 -2.332 586 HA ARG 82 HA ARG 82 3.209 -15.642 -2.332 587 HB2 ARG 82 1HB ARG 82 4.658 -17.478 -2.081 588 HB3 ARG 82 2HB ARG 82 5.371 -16.522 -3.373 589 HG2 ARG 82 1HG ARG 82 7.237 -16.941 -2.155 590 HG3 ARG 82 2HG ARG 82 6.710 -15.461 -1.353 591 HD2 ARG 82 1HD ARG 82 7.117 -16.853 0.441 592 HD3 ARG 82 2HD ARG 82 5.388 -17.085 0.188 593 HE ARG 82 HE ARG 82 6.522 -19.042 -1.310 594 HH11 ARG 82 2HH1 ARG 82 6.818 -18.065 2.018 595 HH12 ARG 82 1HH1 ARG 82 7.166 -19.662 2.592 596 HH21 ARG 82 2HH2 ARG 82 6.979 -21.149 -0.567 597 HH22 ARG 82 1HH2 ARG 82 7.258 -21.416 1.120 598 H GLY 83 H GLY 83 5.720 -13.928 -0.577 599 HA2 GLY 83 1HA GLY 83 4.557 -14.831 1.971 600 HA3 GLY 83 2HA GLY 83 6.147 -14.108 1.776 601 H PHE 84 H PHE 84 2.836 -13.550 2.407 602 HA PHE 84 HA PHE 84 3.199 -10.642 2.213 603 HB2 PHE 84 1HB PHE 84 0.541 -11.785 2.881 604 HB3 PHE 84 2HB PHE 84 0.953 -10.425 1.841 605 HD1 PHE 84 2HD PHE 84 2.980 -11.954 0.130 606 HD2 PHE 84 1HD PHE 84 -0.980 -12.851 1.408 607 HE1 PHE 84 2HE PHE 84 2.665 -13.376 -1.853 608 HE2 PHE 84 1HE PHE 84 -1.300 -14.275 -0.572 609 HZ PHE 84 HZ PHE 84 0.523 -14.538 -2.207 610 HA PRO 85 HA PRO 85 1.626 -8.985 2.995 611 HB2 PRO 85 1HB PRO 85 2.575 -6.799 4.295 612 HB3 PRO 85 2HB PRO 85 1.028 -7.556 4.692 613 HG2 PRO 85 1HG PRO 85 3.681 -7.845 6.047 614 HG3 PRO 85 2HG PRO 85 2.072 -7.655 6.767 615 HD2 PRO 85 1HD PRO 85 3.308 -10.056 6.576 616 HD3 PRO 85 2HD PRO 85 1.544 -9.880 6.483 617 H THR 86 H THR 86 2.775 -7.459 1.632 618 HA THR 86 HA THR 86 5.698 -7.646 1.713 619 HB THR 86 HB THR 86 3.952 -8.488 -0.585 620 HG1 THR 86 1HG THR 86 6.144 -9.934 -0.333 621 HG21 THR 86 1HG2 THR 86 6.064 -8.499 -1.956 622 HG22 THR 86 2HG2 THR 86 6.801 -7.506 -0.698 623 HG23 THR 86 3HG2 THR 86 5.413 -6.900 -1.601 624 H ILE 87 H ILE 87 6.278 -5.578 1.913 625 HA ILE 87 HA ILE 87 4.783 -3.506 0.492 626 HB ILE 87 HB ILE 87 7.004 -3.196 2.515 627 HG12 ILE 87 1HG1 ILE 87 4.127 -2.580 3.069 628 HG13 ILE 87 2HG1 ILE 87 4.680 -4.249 3.171 629 HG21 ILE 87 1HG2 ILE 87 5.100 -1.207 1.291 630 HG22 ILE 87 2HG2 ILE 87 6.151 -0.868 2.665 631 HG23 ILE 87 3HG2 ILE 87 6.852 -1.265 1.097 632 HD11 ILE 87 1HD1 ILE 87 5.864 -1.945 4.701 633 HD12 ILE 87 2HD1 ILE 87 4.691 -3.099 5.339 634 HD13 ILE 87 3HD1 ILE 87 6.296 -3.648 4.855 635 H LYS 88 H LYS 88 5.485 -2.670 -1.352 636 HA LYS 88 HA LYS 88 8.363 -2.716 -1.939 637 HB2 LYS 88 1HB LYS 88 6.213 -3.413 -3.946 638 HB3 LYS 88 2HB LYS 88 7.949 -3.408 -4.226 639 HG2 LYS 88 1HG LYS 88 6.894 -5.144 -2.062 640 HG3 LYS 88 2HG LYS 88 6.621 -5.633 -3.736 641 HD2 LYS 88 1HD LYS 88 9.180 -5.107 -3.978 642 HD3 LYS 88 2HD LYS 88 9.182 -5.347 -2.229 643 HE2 LYS 88 1HE LYS 88 7.902 -7.530 -2.774 644 HE3 LYS 88 2HE LYS 88 8.523 -7.295 -4.407 645 HZ1 LYS 88 1HZ LYS 88 9.846 -8.653 -2.599 646 HZ2 LYS 88 2HZ LYS 88 10.427 -7.116 -2.197 647 HZ3 LYS 88 3HZ LYS 88 10.643 -7.718 -3.763 648 H ILE 89 H ILE 89 9.110 -0.791 -2.535 649 HA ILE 89 HA ILE 89 7.226 1.361 -3.052 650 HB ILE 89 HB ILE 89 10.182 1.284 -2.522 651 HG12 ILE 89 1HG1 ILE 89 9.276 3.042 -0.787 652 HG13 ILE 89 2HG1 ILE 89 7.726 2.277 -1.123 653 HG21 ILE 89 1HG2 ILE 89 9.948 2.897 -4.279 654 HG22 ILE 89 2HG2 ILE 89 8.561 3.635 -3.481 655 HG23 ILE 89 3HG2 ILE 89 10.164 3.761 -2.758 656 HD11 ILE 89 1HD1 ILE 89 8.283 0.374 -0.046 657 HD12 ILE 89 2HD1 ILE 89 9.985 0.484 -0.495 658 HD13 ILE 89 3HD1 ILE 89 9.355 1.474 0.820 659 H PHE 90 H PHE 90 7.236 2.666 -4.894 660 HA PHE 90 HA PHE 90 8.831 1.747 -7.174 661 HB2 PHE 90 1HB PHE 90 5.833 2.153 -7.208 662 HB3 PHE 90 2HB PHE 90 6.826 1.897 -8.639 663 HD1 PHE 90 1HD PHE 90 5.487 0.347 -5.593 664 HD2 PHE 90 2HD PHE 90 7.645 -0.272 -9.209 665 HE1 PHE 90 1HE PHE 90 5.242 -2.086 -5.319 666 HE2 PHE 90 2HE PHE 90 7.402 -2.706 -8.942 667 HZ PHE 90 HZ PHE 90 6.199 -3.616 -6.996 668 H GLN 91 H GLN 91 9.735 3.378 -8.248 669 HA GLN 91 HA GLN 91 8.555 6.062 -7.965 670 HB2 GLN 91 1HB GLN 91 11.388 5.157 -7.651 671 HB3 GLN 91 2HB GLN 91 11.070 6.773 -8.268 672 HG2 GLN 91 1HG GLN 91 9.894 7.375 -6.279 673 HG3 GLN 91 2HG GLN 91 9.959 5.718 -5.681 674 HE21 GLN 91 1HE2 GLN 91 11.125 5.965 -3.871 675 HE22 GLN 91 2HE2 GLN 91 12.736 6.588 -3.816 676 H LYS 92 H LYS 92 8.206 7.148 -9.800 677 HA LYS 92 HA LYS 92 8.245 5.986 -12.292 678 HB2 LYS 92 1HB LYS 92 7.072 8.119 -11.583 679 HB3 LYS 92 2HB LYS 92 8.602 8.948 -11.836 680 HG2 LYS 92 1HG LYS 92 8.544 8.621 -14.135 681 HG3 LYS 92 2HG LYS 92 7.372 7.307 -14.015 682 HD2 LYS 92 1HD LYS 92 5.900 9.262 -12.956 683 HD3 LYS 92 2HD LYS 92 6.956 10.245 -13.974 684 HE2 LYS 92 1HE LYS 92 5.669 7.821 -15.138 685 HE3 LYS 92 2HE LYS 92 4.695 9.271 -14.900 686 HZ1 LYS 92 1HZ LYS 92 6.493 8.717 -16.968 687 HZ2 LYS 92 2HZ LYS 92 7.119 10.018 -16.087 688 HZ3 LYS 92 3HZ LYS 92 5.561 10.110 -16.739 689 H GLY 93 H GLY 93 9.790 5.449 -13.688 690 HA2 GLY 93 1HA GLY 93 11.748 5.606 -14.917 691 HA3 GLY 93 2HA GLY 93 12.140 7.080 -14.043 692 H GLU 94 H GLU 94 12.059 6.089 -11.420 693 HA GLU 94 HA GLU 94 14.640 4.850 -11.295 694 HB2 GLU 94 1HB GLU 94 12.648 5.582 -9.145 695 HB3 GLU 94 2HB GLU 94 14.245 4.924 -8.818 696 HG2 GLU 94 1HG GLU 94 15.128 6.900 -10.188 697 HG3 GLU 94 2HG GLU 94 13.516 7.584 -9.980 698 H SER 95 H SER 95 15.054 2.924 -9.922 699 HA SER 95 HA SER 95 13.290 0.777 -10.738 700 HB2 SER 95 1HB SER 95 15.789 0.605 -10.886 701 HB3 SER 95 2HB SER 95 15.843 0.599 -9.123 702 HG SER 95 HG SER 95 15.706 -1.493 -9.492 703 HA PRO 96 HA PRO 96 11.067 0.519 -6.941 704 HB2 PRO 96 1HB PRO 96 10.158 -2.027 -7.186 705 HB3 PRO 96 2HB PRO 96 9.502 -0.678 -8.122 706 HG2 PRO 96 1HG PRO 96 11.507 -2.749 -8.932 707 HG3 PRO 96 2HG PRO 96 10.134 -2.102 -9.849 708 HD2 PRO 96 1HD PRO 96 12.679 -1.272 -10.256 709 HD3 PRO 96 2HD PRO 96 11.281 -0.199 -10.464 710 H VAL 97 H VAL 97 11.180 -0.425 -4.882 711 HA VAL 97 HA VAL 97 13.388 -2.323 -4.449 712 HB VAL 97 HB VAL 97 13.761 -1.092 -2.238 713 HG11 VAL 97 1HG1 VAL 97 15.115 -1.005 -4.476 714 HG12 VAL 97 2HG1 VAL 97 14.515 0.653 -4.536 715 HG13 VAL 97 3HG1 VAL 97 15.485 0.114 -3.165 716 HG21 VAL 97 1HG2 VAL 97 11.922 0.328 -2.032 717 HG22 VAL 97 2HG2 VAL 97 13.230 1.409 -2.510 718 HG23 VAL 97 3HG2 VAL 97 12.043 0.882 -3.702 719 H ASP 98 H ASP 98 13.273 -3.229 -2.138 720 HA ASP 98 HA ASP 98 10.459 -3.870 -1.545 721 HB2 ASP 98 1HB ASP 98 11.158 -6.036 -0.806 722 HB3 ASP 98 2HB ASP 98 11.919 -5.751 -2.369 723 H TYR 99 H TYR 99 9.723 -2.975 0.253 724 HA TYR 99 HA TYR 99 11.545 -1.973 2.265 725 HB2 TYR 99 1HB TYR 99 9.620 -0.616 1.607 726 HB3 TYR 99 2HB TYR 99 8.524 -1.898 2.114 727 HD1 TYR 99 1HD TYR 99 11.025 0.542 3.353 728 HD2 TYR 99 2HD TYR 99 7.831 -2.082 4.362 729 HE1 TYR 99 1HE TYR 99 10.957 1.504 5.615 730 HE2 TYR 99 2HE TYR 99 7.753 -1.125 6.626 731 HH TYR 99 HH TYR 99 8.407 0.763 7.852 732 H ASP 100 H ASP 100 12.057 -2.940 4.118 733 HA ASP 100 HA ASP 100 10.398 -5.195 5.032 734 HB2 ASP 100 1HB ASP 100 12.517 -5.965 3.953 735 HB3 ASP 100 2HB ASP 100 13.416 -5.076 5.180 736 H GLY 101 H GLY 101 9.569 -3.159 6.222 737 HA2 GLY 101 1HA GLY 101 11.236 -2.343 8.462 738 HA3 GLY 101 2HA GLY 101 9.639 -1.724 8.068 739 H GLY 102 H GLY 102 8.890 -1.920 10.187 740 HA2 GLY 102 1HA GLY 102 8.822 -4.625 11.327 741 HA3 GLY 102 2HA GLY 102 8.487 -3.134 12.195 742 H ARG 103 H ARG 103 7.041 -3.394 9.108 743 HA ARG 103 HA ARG 103 4.869 -3.521 8.441 744 HB2 ARG 103 1HB ARG 103 4.763 -5.597 10.637 745 HB3 ARG 103 2HB ARG 103 3.525 -5.368 9.409 746 HG2 ARG 103 1HG ARG 103 5.333 -5.811 7.695 747 HG3 ARG 103 2HG ARG 103 6.342 -6.338 9.044 748 HD2 ARG 103 1HD ARG 103 3.605 -7.478 8.783 749 HD3 ARG 103 2HD ARG 103 4.858 -8.041 7.677 750 HE ARG 103 HE ARG 103 5.909 -9.100 9.436 751 HH11 ARG 103 2HH1 ARG 103 3.346 -7.064 10.621 752 HH12 ARG 103 1HH1 ARG 103 3.394 -7.715 12.226 753 HH21 ARG 103 2HH2 ARG 103 5.981 -9.966 11.545 754 HH22 ARG 103 1HH2 ARG 103 4.894 -9.366 12.750 755 H THR 104 H THR 104 5.644 -1.673 10.646 756 HA THR 104 HA THR 104 2.958 -1.273 11.795 757 HB THR 104 HB THR 104 4.391 0.085 13.566 758 HG1 THR 104 1HG THR 104 6.177 -2.046 13.053 759 HG21 THR 104 1HG2 THR 104 4.157 -2.927 13.629 760 HG22 THR 104 2HG2 THR 104 2.874 -1.793 14.054 761 HG23 THR 104 3HG2 THR 104 4.345 -1.866 15.024 762 H ARG 105 H ARG 105 2.072 0.738 11.669 763 HA ARG 105 HA ARG 105 2.692 2.462 9.645 764 HB2 ARG 105 1HB ARG 105 1.170 3.987 10.576 765 HB3 ARG 105 2HB ARG 105 0.628 2.421 11.164 766 HG2 ARG 105 1HG ARG 105 2.158 3.026 13.213 767 HG3 ARG 105 2HG ARG 105 1.884 4.673 12.640 768 HD2 ARG 105 1HD ARG 105 -0.532 4.309 12.750 769 HD3 ARG 105 2HD ARG 105 -0.260 2.659 13.311 770 HE ARG 105 HE ARG 105 1.053 4.484 15.016 771 HH11 ARG 105 2HH1 ARG 105 -2.132 3.356 14.174 772 HH12 ARG 105 1HH1 ARG 105 -2.807 3.700 15.732 773 HH21 ARG 105 2HH2 ARG 105 0.174 4.942 17.071 774 HH22 ARG 105 1HH2 ARG 105 -1.495 4.603 17.379 775 H SER 106 H SER 106 3.983 2.450 12.915 776 HA SER 106 HA SER 106 5.229 4.927 12.976 777 HB2 SER 106 1HB SER 106 5.047 3.016 14.777 778 HB3 SER 106 2HB SER 106 6.624 2.547 14.143 779 HG SER 106 HG SER 106 7.429 4.102 15.282 780 H ASP 107 H ASP 107 6.620 1.818 11.929 781 HA ASP 107 HA ASP 107 9.025 3.045 10.967 782 HB2 ASP 107 1HB ASP 107 7.925 0.265 10.497 783 HB3 ASP 107 2HB ASP 107 9.556 0.797 10.099 784 H ILE 108 H ILE 108 6.245 1.488 9.372 785 HA ILE 108 HA ILE 108 6.925 1.790 6.744 786 HB ILE 108 HB ILE 108 4.183 2.225 7.934 787 HG12 ILE 108 1HG1 ILE 108 5.058 -0.293 6.582 788 HG13 ILE 108 2HG1 ILE 108 5.584 -0.001 8.236 789 HG21 ILE 108 1HG2 ILE 108 3.308 2.368 5.876 790 HG22 ILE 108 2HG2 ILE 108 4.942 2.807 5.381 791 HG23 ILE 108 3HG2 ILE 108 4.392 1.139 5.225 792 HD11 ILE 108 1HD1 ILE 108 2.768 -0.232 7.219 793 HD12 ILE 108 2HD1 ILE 108 3.614 -1.308 8.333 794 HD13 ILE 108 3HD1 ILE 108 3.179 0.323 8.842 795 H VAL 109 H VAL 109 5.517 4.244 8.872 796 HA VAL 109 HA VAL 109 5.297 6.237 6.844 797 HB VAL 109 HB VAL 109 5.230 6.395 9.853 798 HG11 VAL 109 1HG1 VAL 109 4.578 8.712 9.666 799 HG12 VAL 109 2HG1 VAL 109 6.152 8.484 8.901 800 HG13 VAL 109 3HG1 VAL 109 4.702 8.639 7.908 801 HG21 VAL 109 1HG2 VAL 109 3.331 5.669 7.916 802 HG22 VAL 109 2HG2 VAL 109 3.062 5.954 9.636 803 HG23 VAL 109 3HG2 VAL 109 2.869 7.275 8.483 804 H SER 110 H SER 110 7.616 5.667 9.478 805 HA SER 110 HA SER 110 9.249 7.835 9.261 806 HB2 SER 110 1HB SER 110 9.702 6.192 10.942 807 HB3 SER 110 2HB SER 110 9.996 4.944 9.731 808 HG SER 110 HG SER 110 11.590 7.155 9.444 809 H ARG 111 H ARG 111 9.328 4.934 7.226 810 HA ARG 111 HA ARG 111 11.542 5.799 5.656 811 HB2 ARG 111 1HB ARG 111 10.479 3.407 6.004 812 HB3 ARG 111 2HB ARG 111 9.526 3.865 4.598 813 HG2 ARG 111 1HG ARG 111 12.533 3.780 4.737 814 HG3 ARG 111 2HG ARG 111 11.493 2.583 3.963 815 HD2 ARG 111 1HD ARG 111 10.618 4.459 2.519 816 HD3 ARG 111 2HD ARG 111 11.916 5.457 3.173 817 HE ARG 111 HE ARG 111 12.149 3.408 1.188 818 HH11 ARG 111 2HH1 ARG 111 13.827 5.089 3.734 819 HH12 ARG 111 1HH1 ARG 111 15.400 4.788 3.073 820 HH21 ARG 111 2HH2 ARG 111 14.215 3.005 0.309 821 HH22 ARG 111 1HH2 ARG 111 15.620 3.603 1.125 822 H ALA 112 H ALA 112 8.045 5.621 4.988 823 HA ALA 112 HA ALA 112 7.861 6.582 2.476 824 HB1 ALA 112 1HB ALA 112 5.985 6.027 4.106 825 HB2 ALA 112 2HB ALA 112 6.095 7.708 4.629 826 HB3 ALA 112 3HB ALA 112 5.688 7.331 2.956 827 H LEU 113 H LEU 113 8.822 8.402 5.296 828 HA LEU 113 HA LEU 113 8.638 10.969 4.021 829 HB2 LEU 113 1HB LEU 113 9.916 10.033 6.579 830 HB3 LEU 113 2HB LEU 113 9.966 11.709 6.036 831 HG LEU 113 HG LEU 113 7.444 10.169 6.643 832 HD11 LEU 113 1HD1 LEU 113 9.113 12.037 8.290 833 HD12 LEU 113 2HD1 LEU 113 8.474 10.450 8.718 834 HD13 LEU 113 3HD1 LEU 113 7.386 11.831 8.586 835 HD21 LEU 113 1HD2 LEU 113 7.925 13.089 6.056 836 HD22 LEU 113 2HD2 LEU 113 6.385 12.378 6.539 837 HD23 LEU 113 3HD2 LEU 113 7.118 11.930 4.998 838 H ASP 114 H ASP 114 11.189 8.626 4.675 839 HA ASP 114 HA ASP 114 13.405 10.158 3.961 840 HB2 ASP 114 1HB ASP 114 12.799 7.247 4.066 841 HB3 ASP 114 2HB ASP 114 14.231 7.741 3.167 842 H LEU 115 H LEU 115 11.015 8.558 1.985 843 HA LEU 115 HA LEU 115 12.534 9.081 -0.452 844 HB2 LEU 115 1HB LEU 115 9.807 7.833 -0.210 845 HB3 LEU 115 2HB LEU 115 10.901 7.770 -1.590 846 HG LEU 115 HG LEU 115 11.756 6.565 1.004 847 HD11 LEU 115 1HD1 LEU 115 10.685 4.483 0.480 848 HD12 LEU 115 2HD1 LEU 115 10.009 5.154 -1.005 849 HD13 LEU 115 3HD1 LEU 115 9.456 5.746 0.562 850 HD21 LEU 115 1HD2 LEU 115 12.771 6.741 -1.621 851 HD22 LEU 115 2HD2 LEU 115 12.322 5.056 -1.354 852 HD23 LEU 115 3HD2 LEU 115 13.442 5.856 -0.250 853 H PHE 116 H PHE 116 9.624 10.117 1.223 854 HA PHE 116 HA PHE 116 8.322 11.577 -0.696 855 HB2 PHE 116 1HB PHE 116 7.196 11.546 1.321 856 HB3 PHE 116 2HB PHE 116 8.643 11.908 2.255 857 HD1 PHE 116 2HD PHE 116 6.421 13.485 -0.290 858 HD2 PHE 116 1HD PHE 116 8.862 14.007 3.157 859 HE1 PHE 116 2HE PHE 116 5.751 15.850 -0.178 860 HE2 PHE 116 1HE PHE 116 8.196 16.373 3.275 861 HZ PHE 116 HZ PHE 116 6.639 17.297 1.606 862 H SER 117 H SER 117 10.805 12.877 1.512 863 HA SER 117 HA SER 117 11.013 15.414 0.444 864 HB2 SER 117 1HB SER 117 12.135 14.645 2.528 865 HB3 SER 117 2HB SER 117 13.301 13.763 1.542 866 HG SER 117 HG SER 117 13.448 16.070 0.529 867 H ASP 118 H ASP 118 13.055 12.607 -0.377 868 HA ASP 118 HA ASP 118 14.706 13.543 -2.258 869 HB2 ASP 118 1HB ASP 118 13.133 10.997 -2.162 870 HB3 ASP 118 2HB ASP 118 14.136 11.338 -3.569 871 H ASN 119 H ASN 119 11.376 12.525 -3.034 872 HA ASN 119 HA ASN 119 11.543 13.789 -5.634 873 HB2 ASN 119 1HB ASN 119 8.977 13.045 -5.516 874 HB3 ASN 119 2HB ASN 119 10.269 11.907 -5.892 875 HD21 ASN 119 1HD2 ASN 119 10.454 10.158 -4.677 876 HD22 ASN 119 2HD2 ASN 119 9.666 9.898 -3.161 877 H ALA 120 H ALA 120 8.933 13.968 -3.227 878 HA ALA 120 HA ALA 120 7.900 16.402 -4.016 879 HB1 ALA 120 1HB ALA 120 7.780 14.793 -1.539 880 HB2 ALA 120 2HB ALA 120 7.290 16.482 -1.413 881 HB3 ALA 120 3HB ALA 120 6.480 15.412 -2.557 882 HA PRO 121 HA PRO 121 10.906 19.404 -2.837 883 HB2 PRO 121 1HB PRO 121 9.295 21.589 -2.795 884 HB3 PRO 121 2HB PRO 121 9.832 20.820 -4.294 885 HG2 PRO 121 1HG PRO 121 7.225 20.540 -2.850 886 HG3 PRO 121 2HG PRO 121 7.528 20.717 -4.588 887 HD2 PRO 121 1HD PRO 121 6.998 18.324 -3.437 888 HD3 PRO 121 2HD PRO 121 8.062 18.490 -4.849 889 HA PRO 122 HA PRO 122 10.113 19.288 1.606 890 HB2 PRO 122 1HB PRO 122 12.679 19.834 2.304 891 HB3 PRO 122 2HB PRO 122 12.136 18.222 1.825 892 HG2 PRO 122 1HG PRO 122 13.555 20.302 0.206 893 HG3 PRO 122 2HG PRO 122 13.840 18.553 0.277 894 HD2 PRO 122 1HD PRO 122 12.451 19.723 -1.731 895 HD3 PRO 122 2HD PRO 122 12.092 18.084 -1.151 896 HA PRO 123 HA PRO 123 9.754 23.537 2.678 897 HB2 PRO 123 1HB PRO 123 10.394 23.534 5.316 898 HB3 PRO 123 2HB PRO 123 8.883 22.860 4.693 899 HG2 PRO 123 1HG PRO 123 11.410 21.451 5.461 900 HG3 PRO 123 2HG PRO 123 9.730 20.999 5.801 901 HD2 PRO 123 1HD PRO 123 11.169 19.861 3.810 902 HD3 PRO 123 2HD PRO 123 9.414 20.101 3.702 903 H GLU 124 H GLU 124 10.903 25.447 3.462 904 HA GLU 124 HA GLU 124 13.477 25.687 2.436 905 HB2 GLU 124 1HB GLU 124 11.675 27.479 3.165 906 HB3 GLU 124 2HB GLU 124 12.611 27.490 4.653 907 HG2 GLU 124 1HG GLU 124 13.615 28.106 1.885 908 HG3 GLU 124 2HG GLU 124 13.374 29.247 3.207 909 H LEU 125 H LEU 125 14.900 24.156 3.196 910 HA LEU 125 HA LEU 125 16.155 24.744 5.712 911 HB2 LEU 125 1HB LEU 125 15.774 22.753 6.851 912 HB3 LEU 125 2HB LEU 125 14.191 23.191 6.212 913 HG LEU 125 HG LEU 125 14.963 21.571 4.250 914 HD11 LEU 125 1HD1 LEU 125 17.177 21.245 5.473 915 HD12 LEU 125 2HD1 LEU 125 16.334 19.798 4.921 916 HD13 LEU 125 3HD1 LEU 125 16.261 20.266 6.620 917 HD21 LEU 125 1HD2 LEU 125 13.253 20.359 5.001 918 HD22 LEU 125 2HD2 LEU 125 13.194 21.462 6.376 919 HD23 LEU 125 3HD2 LEU 125 14.099 19.952 6.494 920 H LEU 126 H LEU 126 18.148 23.520 6.022 921 HA LEU 126 HA LEU 126 19.728 23.384 3.755 922 HB2 LEU 126 1HB LEU 126 20.006 22.144 6.472 923 HB3 LEU 126 2HB LEU 126 21.232 21.917 5.227 924 HG LEU 126 HG LEU 126 21.167 24.559 5.176 925 HD11 LEU 126 1HD1 LEU 126 20.029 23.825 7.852 926 HD12 LEU 126 2HD1 LEU 126 19.461 25.034 6.701 927 HD13 LEU 126 3HD1 LEU 126 20.948 25.310 7.608 928 HD21 LEU 126 1HD2 LEU 126 23.055 22.982 5.767 929 HD22 LEU 126 2HD2 LEU 126 22.552 23.155 7.448 930 HD23 LEU 126 3HD2 LEU 126 23.095 24.566 6.540 931 H GLU 127 H GLU 127 18.551 22.207 2.176 932 HA GLU 127 HA GLU 127 17.485 19.719 2.255 933 HB2 GLU 127 1HB GLU 127 18.969 21.207 0.144 934 HB3 GLU 127 2HB GLU 127 18.623 19.507 -0.142 935 HG2 GLU 127 1HG GLU 127 16.861 20.706 -1.127 936 HG3 GLU 127 2HG GLU 127 16.213 20.031 0.367 937 H SER 128 H SER 128 18.253 17.592 1.724 938 HA SER 128 HA SER 128 21.021 16.953 1.663 939 HB2 SER 128 1HB SER 128 21.032 15.702 3.864 940 HB3 SER 128 2HB SER 128 21.040 17.460 4.002 941 HG SER 128 HG SER 128 18.700 15.861 4.144 942 H GLY 129 H GLY 129 21.400 14.611 1.624 943 HA2 GLY 129 1HA GLY 129 20.121 12.416 1.769 944 HA3 GLY 129 2HA GLY 129 18.988 13.198 0.677 945 HA PRO 130 HA PRO 130 23.137 12.386 -1.728 946 HB2 PRO 130 1HB PRO 130 24.718 10.465 -0.641 947 HB3 PRO 130 2HB PRO 130 24.897 12.183 -0.265 948 HG2 PRO 130 1HG PRO 130 23.519 10.035 1.300 949 HG3 PRO 130 2HG PRO 130 24.585 11.329 1.876 950 HD2 PRO 130 1HD PRO 130 21.888 11.470 2.067 951 HD3 PRO 130 2HD PRO 130 22.904 12.906 1.828 952 H SER 131 H SER 131 21.047 10.139 -0.214 953 HA SER 131 HA SER 131 21.611 7.925 -1.965 954 HB2 SER 131 1HB SER 131 19.269 8.392 -0.102 955 HB3 SER 131 2HB SER 131 19.664 6.867 -0.895 956 HG SER 131 HG SER 131 21.519 8.198 0.767 957 H SER 132 H SER 132 20.804 7.578 -3.926 958 HA SER 132 HA SER 132 18.191 8.386 -4.721 959 HB2 SER 132 1HB SER 132 19.255 10.577 -4.903 960 HB3 SER 132 2HB SER 132 20.534 9.895 -5.908 961 HG SER 132 HG SER 132 17.904 10.519 -6.547 962 H GLY 133 H GLY 133 17.513 6.915 -6.133 963 HA2 GLY 133 1HA GLY 133 17.797 5.841 -8.298 964 HA3 GLY 133 2HA GLY 133 19.506 5.673 -7.923 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -18.169 12.399 2.880 2 HA2 GLY 1 1HA GLY 1 -20.802 11.829 1.707 3 HA3 GLY 1 2HA GLY 1 -19.688 12.864 0.825 4 H SER 2 H SER 2 -17.289 11.513 1.416 5 HA SER 2 HA SER 2 -17.715 9.013 -0.084 6 HB2 SER 2 1HB SER 2 -16.398 10.931 -1.169 7 HB3 SER 2 2HB SER 2 -15.126 10.557 -0.007 8 HG SER 2 HG SER 2 -15.809 9.264 -2.289 9 H SER 3 H SER 3 -16.800 7.139 0.623 10 HA SER 3 HA SER 3 -15.416 7.262 3.222 11 HB2 SER 3 1HB SER 3 -17.350 5.239 2.099 12 HB3 SER 3 2HB SER 3 -16.294 4.861 3.460 13 HG SER 3 HG SER 3 -17.227 6.835 4.433 14 H GLY 4 H GLY 4 -15.765 5.010 0.468 15 HA2 GLY 4 1HA GLY 4 -13.969 4.299 -0.912 16 HA3 GLY 4 2HA GLY 4 -12.842 4.819 0.333 17 H SER 5 H SER 5 -12.623 2.349 -0.917 18 HA SER 5 HA SER 5 -13.869 0.234 0.460 19 HB2 SER 5 1HB SER 5 -12.736 -0.040 -1.719 20 HB3 SER 5 2HB SER 5 -11.181 0.241 -0.936 21 HG SER 5 HG SER 5 -12.058 -2.041 -1.278 22 H SER 6 H SER 6 -10.496 1.364 0.756 23 HA SER 6 HA SER 6 -10.565 0.504 3.574 24 HB2 SER 6 1HB SER 6 -8.363 0.251 1.529 25 HB3 SER 6 2HB SER 6 -8.040 0.169 3.261 26 HG SER 6 HG SER 6 -8.542 -1.858 3.030 27 H GLY 7 H GLY 7 -11.335 3.064 2.830 28 HA2 GLY 7 1HA GLY 7 -10.927 5.278 3.283 29 HA3 GLY 7 2HA GLY 7 -9.831 4.677 4.517 30 H ASP 8 H ASP 8 -8.222 6.168 4.268 31 HA ASP 8 HA ASP 8 -7.195 7.391 2.109 32 HB2 ASP 8 1HB ASP 8 -5.751 6.196 4.466 33 HB3 ASP 8 2HB ASP 8 -4.896 7.123 3.235 34 H VAL 9 H VAL 9 -6.581 4.035 3.011 35 HA VAL 9 HA VAL 9 -4.589 3.431 1.155 36 HB VAL 9 HB VAL 9 -6.769 1.609 2.185 37 HG11 VAL 9 1HG1 VAL 9 -5.736 0.645 0.236 38 HG12 VAL 9 2HG1 VAL 9 -4.126 0.994 0.869 39 HG13 VAL 9 3HG1 VAL 9 -5.151 -0.198 1.671 40 HG21 VAL 9 1HG2 VAL 9 -5.149 0.932 3.866 41 HG22 VAL 9 2HG2 VAL 9 -3.967 2.065 3.211 42 HG23 VAL 9 3HG2 VAL 9 -5.444 2.668 3.964 43 H ILE 10 H ILE 10 -4.577 3.291 -0.987 44 HA ILE 10 HA ILE 10 -7.123 3.410 -2.421 45 HB ILE 10 HB ILE 10 -4.299 3.803 -3.418 46 HG12 ILE 10 1HG1 ILE 10 -6.425 5.915 -3.306 47 HG13 ILE 10 2HG1 ILE 10 -5.496 5.533 -1.861 48 HG21 ILE 10 1HG2 ILE 10 -5.700 4.829 -5.385 49 HG22 ILE 10 2HG2 ILE 10 -5.363 3.100 -5.323 50 HG23 ILE 10 3HG2 ILE 10 -6.933 3.711 -4.804 51 HD11 ILE 10 1HD1 ILE 10 -4.470 7.387 -2.935 52 HD12 ILE 10 2HD1 ILE 10 -3.425 5.985 -3.172 53 HD13 ILE 10 3HD1 ILE 10 -4.453 6.552 -4.488 54 H GLU 11 H GLU 11 -7.636 1.992 -4.120 55 HA GLU 11 HA GLU 11 -6.332 -0.628 -3.895 56 HB2 GLU 11 1HB GLU 11 -8.682 -0.728 -3.433 57 HB3 GLU 11 2HB GLU 11 -9.064 0.184 -4.887 58 HG2 GLU 11 1HG GLU 11 -7.617 -2.391 -5.186 59 HG3 GLU 11 2HG GLU 11 -9.331 -2.433 -4.777 60 H LEU 12 H LEU 12 -5.334 -1.570 -5.583 61 HA LEU 12 HA LEU 12 -5.415 -0.155 -8.167 62 HB2 LEU 12 1HB LEU 12 -3.115 -1.682 -6.956 63 HB3 LEU 12 2HB LEU 12 -3.113 -0.893 -8.532 64 HG LEU 12 HG LEU 12 -3.391 0.544 -5.893 65 HD11 LEU 12 1HD1 LEU 12 -1.002 0.067 -7.658 66 HD12 LEU 12 2HD1 LEU 12 -1.200 -0.364 -5.960 67 HD13 LEU 12 3HD1 LEU 12 -1.068 1.331 -6.430 68 HD21 LEU 12 1HD2 LEU 12 -3.255 2.542 -7.099 69 HD22 LEU 12 2HD2 LEU 12 -4.376 1.548 -8.030 70 HD23 LEU 12 3HD2 LEU 12 -2.704 1.728 -8.564 71 H THR 13 H THR 13 -4.870 -1.546 -10.052 72 HA THR 13 HA THR 13 -5.857 -4.297 -9.667 73 HB THR 13 HB THR 13 -6.282 -2.913 -12.277 74 HG1 THR 13 1HG THR 13 -7.773 -1.620 -11.499 75 HG21 THR 13 1HG2 THR 13 -7.316 -4.858 -12.634 76 HG22 THR 13 2HG2 THR 13 -8.533 -4.360 -11.459 77 HG23 THR 13 3HG2 THR 13 -7.147 -5.318 -10.941 78 H ASP 14 H ASP 14 -5.303 -5.698 -11.643 79 HA ASP 14 HA ASP 14 -2.556 -6.005 -11.827 80 HB2 ASP 14 1HB ASP 14 -2.972 -7.752 -13.280 81 HB3 ASP 14 2HB ASP 14 -4.545 -7.587 -12.504 82 H ASP 15 H ASP 15 -4.720 -4.062 -13.763 83 HA ASP 15 HA ASP 15 -2.487 -3.292 -15.512 84 HB2 ASP 15 1HB ASP 15 -4.446 -2.160 -16.806 85 HB3 ASP 15 2HB ASP 15 -4.238 -3.906 -16.914 86 H SER 16 H SER 16 -5.098 -1.935 -13.532 87 HA SER 16 HA SER 16 -4.493 0.769 -13.893 88 HB2 SER 16 1HB SER 16 -5.902 -0.786 -11.754 89 HB3 SER 16 2HB SER 16 -5.551 0.922 -11.490 90 HG SER 16 HG SER 16 -7.356 1.166 -12.557 91 H PHE 17 H PHE 17 -3.092 -1.644 -11.781 92 HA PHE 17 HA PHE 17 -1.787 -0.207 -9.880 93 HB2 PHE 17 1HB PHE 17 -1.496 -2.534 -9.794 94 HB3 PHE 17 2HB PHE 17 -0.917 -2.615 -11.455 95 HD1 PHE 17 2HD PHE 17 1.341 -1.461 -11.945 96 HD2 PHE 17 1HD PHE 17 0.011 -2.524 -8.044 97 HE1 PHE 17 2HE PHE 17 3.665 -1.396 -11.138 98 HE2 PHE 17 1HE PHE 17 2.332 -2.460 -7.231 99 HZ PHE 17 HZ PHE 17 4.163 -1.896 -8.778 100 H ASP 18 H ASP 18 -0.662 -0.731 -13.208 101 HA ASP 18 HA ASP 18 1.659 0.920 -12.864 102 HB2 ASP 18 1HB ASP 18 1.782 0.689 -15.401 103 HB3 ASP 18 2HB ASP 18 1.876 -0.803 -14.470 104 H LYS 19 H LYS 19 -1.442 1.281 -14.562 105 HA LYS 19 HA LYS 19 -0.983 3.876 -15.539 106 HB2 LYS 19 1HB LYS 19 -3.669 2.715 -14.794 107 HB3 LYS 19 2HB LYS 19 -3.341 3.969 -15.983 108 HG2 LYS 19 1HG LYS 19 -1.952 2.180 -17.190 109 HG3 LYS 19 2HG LYS 19 -2.801 1.029 -16.155 110 HD2 LYS 19 1HD LYS 19 -4.374 3.064 -17.669 111 HD3 LYS 19 2HD LYS 19 -3.746 1.652 -18.522 112 HE2 LYS 19 1HE LYS 19 -5.838 0.931 -17.851 113 HE3 LYS 19 2HE LYS 19 -4.802 0.319 -16.562 114 HZ1 LYS 19 1HZ LYS 19 -5.473 2.781 -15.678 115 HZ2 LYS 19 2HZ LYS 19 -6.234 1.343 -15.215 116 HZ3 LYS 19 3HZ LYS 19 -6.894 2.289 -16.452 117 H ASN 20 H ASN 20 -1.436 2.795 -12.382 118 HA ASN 20 HA ASN 20 -2.402 5.421 -11.480 119 HB2 ASN 20 1HB ASN 20 -2.543 2.666 -10.324 120 HB3 ASN 20 2HB ASN 20 -2.557 4.047 -9.232 121 HD21 ASN 20 1HD2 ASN 20 -4.190 2.573 -11.971 122 HD22 ASN 20 2HD2 ASN 20 -5.734 3.288 -11.671 123 H VAL 21 H VAL 21 0.296 3.256 -11.434 124 HA VAL 21 HA VAL 21 1.693 4.945 -9.476 125 HB VAL 21 HB VAL 21 2.229 2.148 -10.457 126 HG11 VAL 21 1HG1 VAL 21 4.046 4.020 -8.969 127 HG12 VAL 21 2HG1 VAL 21 4.206 2.267 -8.848 128 HG13 VAL 21 3HG1 VAL 21 4.389 3.065 -10.411 129 HG21 VAL 21 1HG2 VAL 21 2.353 2.121 -7.742 130 HG22 VAL 21 2HG2 VAL 21 1.156 3.387 -8.021 131 HG23 VAL 21 3HG2 VAL 21 0.901 1.771 -8.681 132 H LEU 22 H LEU 22 2.538 3.142 -12.441 133 HA LEU 22 HA LEU 22 4.849 4.563 -13.045 134 HB2 LEU 22 1HB LEU 22 2.950 3.351 -15.044 135 HB3 LEU 22 2HB LEU 22 4.669 3.664 -15.269 136 HG LEU 22 HG LEU 22 3.494 1.643 -13.359 137 HD11 LEU 22 1HD1 LEU 22 5.160 0.766 -15.610 138 HD12 LEU 22 2HD1 LEU 22 3.584 1.416 -16.058 139 HD13 LEU 22 3HD1 LEU 22 3.691 0.060 -14.936 140 HD21 LEU 22 1HD2 LEU 22 5.963 2.903 -13.278 141 HD22 LEU 22 2HD2 LEU 22 6.287 1.361 -14.069 142 HD23 LEU 22 3HD2 LEU 22 5.523 1.394 -12.479 143 H ASP 23 H ASP 23 1.507 5.153 -14.062 144 HA ASP 23 HA ASP 23 2.217 7.474 -15.608 145 HB2 ASP 23 1HB ASP 23 0.248 5.949 -16.081 146 HB3 ASP 23 2HB ASP 23 -0.546 6.677 -14.687 147 H SER 24 H SER 24 2.446 7.083 -12.476 148 HA SER 24 HA SER 24 1.411 9.769 -11.839 149 HB2 SER 24 1HB SER 24 0.139 8.018 -10.661 150 HB3 SER 24 2HB SER 24 1.636 7.399 -9.966 151 HG SER 24 HG SER 24 1.847 9.248 -8.777 152 H GLU 25 H GLU 25 3.023 11.158 -11.602 153 HA GLU 25 HA GLU 25 5.724 10.412 -11.271 154 HB2 GLU 25 1HB GLU 25 4.438 13.102 -10.764 155 HB3 GLU 25 2HB GLU 25 6.157 12.806 -10.987 156 HG2 GLU 25 1HG GLU 25 5.537 13.549 -13.064 157 HG3 GLU 25 2HG GLU 25 5.422 11.802 -13.265 158 H ASP 26 H ASP 26 3.188 10.674 -9.043 159 HA ASP 26 HA ASP 26 4.824 11.341 -6.757 160 HB2 ASP 26 1HB ASP 26 2.009 10.244 -6.741 161 HB3 ASP 26 2HB ASP 26 2.816 11.152 -5.465 162 H VAL 27 H VAL 27 5.052 9.922 -4.900 163 HA VAL 27 HA VAL 27 5.938 7.318 -5.670 164 HB VAL 27 HB VAL 27 5.679 8.575 -2.935 165 HG11 VAL 27 1HG1 VAL 27 6.570 5.886 -3.818 166 HG12 VAL 27 2HG1 VAL 27 7.492 6.677 -2.538 167 HG13 VAL 27 3HG1 VAL 27 5.765 6.381 -2.330 168 HG21 VAL 27 1HG2 VAL 27 7.788 8.532 -5.019 169 HG22 VAL 27 2HG2 VAL 27 7.357 9.798 -3.869 170 HG23 VAL 27 3HG2 VAL 27 8.303 8.409 -3.337 171 H TRP 28 H TRP 28 5.080 5.327 -5.199 172 HA TRP 28 HA TRP 28 2.420 5.280 -3.943 173 HB2 TRP 28 1HB TRP 28 3.278 4.103 -6.567 174 HB3 TRP 28 2HB TRP 28 1.981 3.350 -5.643 175 HD1 TRP 28 HD TRP 28 2.817 6.622 -7.486 176 HE1 TRP 28 1HE TRP 28 0.610 7.813 -8.064 177 HE3 TRP 28 3HE TRP 28 -0.434 3.555 -5.004 178 HZ2 TRP 28 2HZ TRP 28 -2.145 7.496 -7.536 179 HZ3 TRP 28 3HZ TRP 28 -2.838 4.069 -5.090 180 HH2 TRP 28 HH TRP 28 -3.674 5.999 -6.330 181 H MET 29 H MET 29 2.498 4.069 -2.178 182 HA MET 29 HA MET 29 4.531 1.990 -1.936 183 HB2 MET 29 1HB MET 29 2.830 3.522 -0.027 184 HB3 MET 29 2HB MET 29 3.380 1.924 0.460 185 HG2 MET 29 1HG MET 29 5.712 2.665 -0.049 186 HG3 MET 29 2HG MET 29 5.074 4.290 -0.290 187 HE1 MET 29 1HE MET 29 6.984 2.327 1.669 188 HE2 MET 29 2HE MET 29 6.805 2.807 3.356 189 HE3 MET 29 3HE MET 29 5.803 1.514 2.696 190 H VAL 30 H VAL 30 3.853 0.205 -3.014 191 HA VAL 30 HA VAL 30 1.120 -0.728 -2.782 192 HB VAL 30 HB VAL 30 3.479 -2.013 -4.164 193 HG11 VAL 30 1HG1 VAL 30 1.287 -2.952 -5.428 194 HG12 VAL 30 2HG1 VAL 30 2.092 -3.790 -4.100 195 HG13 VAL 30 3HG1 VAL 30 0.666 -2.799 -3.785 196 HG21 VAL 30 1HG2 VAL 30 3.228 -0.472 -5.743 197 HG22 VAL 30 2HG2 VAL 30 1.586 -1.056 -6.015 198 HG23 VAL 30 3HG2 VAL 30 1.878 0.253 -4.870 199 H GLU 31 H GLU 31 0.403 -2.185 -1.368 200 HA GLU 31 HA GLU 31 2.370 -3.871 0.031 201 HB2 GLU 31 1HB GLU 31 1.705 -2.156 1.579 202 HB3 GLU 31 2HB GLU 31 0.006 -2.406 1.204 203 HG2 GLU 31 1HG GLU 31 0.524 -4.843 2.046 204 HG3 GLU 31 2HG GLU 31 1.836 -4.024 2.891 205 H PHE 32 H PHE 32 2.025 -5.863 -0.716 206 HA PHE 32 HA PHE 32 -0.618 -6.748 -1.485 207 HB2 PHE 32 1HB PHE 32 1.940 -8.356 -1.380 208 HB3 PHE 32 2HB PHE 32 0.469 -8.759 -2.260 209 HD1 PHE 32 2HD PHE 32 3.309 -6.405 -2.111 210 HD2 PHE 32 1HD PHE 32 0.067 -7.913 -4.420 211 HE1 PHE 32 2HE PHE 32 4.182 -5.237 -4.093 212 HE2 PHE 32 1HE PHE 32 0.935 -6.748 -6.406 213 HZ PHE 32 HZ PHE 32 2.994 -5.406 -6.244 214 H TYR 33 H TYR 33 -2.002 -7.815 -0.236 215 HA TYR 33 HA TYR 33 -0.988 -9.287 2.093 216 HB2 TYR 33 1HB TYR 33 -2.583 -8.336 3.571 217 HB3 TYR 33 2HB TYR 33 -1.843 -6.981 2.726 218 HD1 TYR 33 1HD TYR 33 -4.805 -9.244 2.514 219 HD2 TYR 33 2HD TYR 33 -3.208 -5.371 1.769 220 HE1 TYR 33 1HE TYR 33 -7.033 -8.464 1.825 221 HE2 TYR 33 2HE TYR 33 -5.432 -4.580 1.079 222 HH TYR 33 HH TYR 33 -7.964 -6.622 0.351 223 H ALA 34 H ALA 34 -2.774 -10.672 3.067 224 HA ALA 34 HA ALA 34 -4.504 -11.726 0.925 225 HB1 ALA 34 1HB ALA 34 -3.169 -13.528 1.037 226 HB2 ALA 34 2HB ALA 34 -2.537 -13.089 2.624 227 HB3 ALA 34 3HB ALA 34 -4.096 -13.902 2.491 228 HA PRO 35 HA PRO 35 -7.787 -10.968 3.790 229 HB2 PRO 35 1HB PRO 35 -9.714 -12.372 2.494 230 HB3 PRO 35 2HB PRO 35 -9.140 -10.794 1.942 231 HG2 PRO 35 1HG PRO 35 -8.392 -13.526 0.975 232 HG3 PRO 35 2HG PRO 35 -8.735 -12.062 0.035 233 HD2 PRO 35 1HD PRO 35 -6.214 -12.910 0.542 234 HD3 PRO 35 2HD PRO 35 -6.631 -11.191 0.386 235 H TRP 36 H TRP 36 -6.370 -13.987 3.139 236 HA TRP 36 HA TRP 36 -7.897 -15.232 5.332 237 HB2 TRP 36 1HB TRP 36 -6.977 -17.410 4.213 238 HB3 TRP 36 2HB TRP 36 -8.381 -16.601 3.523 239 HD1 TRP 36 HD TRP 36 -8.256 -16.229 0.998 240 HE1 TRP 36 1HE TRP 36 -6.382 -16.122 -0.763 241 HE3 TRP 36 3HE TRP 36 -4.208 -16.649 4.093 242 HZ2 TRP 36 2HZ TRP 36 -3.561 -16.206 -0.831 243 HZ3 TRP 36 3HZ TRP 36 -1.957 -16.627 3.100 244 HH2 TRP 36 HH TRP 36 -1.643 -16.411 0.689 245 H CYS 37 H CYS 37 -5.254 -13.607 5.055 246 HA CYS 37 HA CYS 37 -3.542 -15.519 6.499 247 HB2 CYS 37 1HB CYS 37 -2.538 -14.684 4.424 248 HB3 CYS 37 2HB CYS 37 -2.758 -13.027 4.973 249 HG CYS 37 HG CYS 37 -0.773 -15.289 6.598 250 H GLY 38 H GLY 38 -3.067 -15.134 8.571 251 HA2 GLY 38 1HA GLY 38 -4.386 -13.200 10.082 252 HA3 GLY 38 2HA GLY 38 -2.971 -14.095 10.615 253 H HIS 39 H HIS 39 -0.878 -13.260 9.427 254 HA HIS 39 HA HIS 39 -0.060 -10.927 10.452 255 HB2 HIS 39 1HB HIS 39 0.668 -12.268 7.874 256 HB3 HIS 39 2HB HIS 39 1.383 -10.707 8.269 257 HD1 HIS 39 1HD HIS 39 3.731 -11.414 8.789 258 HD2 HIS 39 2HD HIS 39 0.901 -13.641 10.860 259 HE1 HIS 39 1HE HIS 39 5.038 -12.809 10.423 260 HE2 HIS 39 2HE HIS 39 3.311 -14.210 11.606 261 H CYS 40 H CYS 40 -1.862 -11.252 7.429 262 HA CYS 40 HA CYS 40 -1.748 -8.555 6.644 263 HB2 CYS 40 1HB CYS 40 -2.462 -9.963 4.946 264 HB3 CYS 40 2HB CYS 40 -3.545 -10.860 6.003 265 HG CYS 40 HG CYS 40 -5.589 -9.084 5.975 266 H LYS 41 H LYS 41 -4.343 -10.326 8.329 267 HA LYS 41 HA LYS 41 -6.093 -8.232 8.742 268 HB2 LYS 41 1HB LYS 41 -5.484 -10.609 10.503 269 HB3 LYS 41 2HB LYS 41 -6.835 -9.518 10.781 270 HG2 LYS 41 1HG LYS 41 -7.794 -10.111 8.637 271 HG3 LYS 41 2HG LYS 41 -6.410 -11.149 8.285 272 HD2 LYS 41 1HD LYS 41 -8.096 -12.606 9.037 273 HD3 LYS 41 2HD LYS 41 -7.014 -12.405 10.417 274 HE2 LYS 41 1HE LYS 41 -9.055 -12.126 11.429 275 HE3 LYS 41 2HE LYS 41 -8.658 -10.457 11.026 276 HZ1 LYS 41 1HZ LYS 41 -10.713 -10.507 10.143 277 HZ2 LYS 41 2HZ LYS 41 -10.723 -12.186 9.938 278 HZ3 LYS 41 3HZ LYS 41 -9.927 -11.202 8.816 279 H ASN 42 H ASN 42 -3.121 -8.985 10.416 280 HA ASN 42 HA ASN 42 -3.591 -7.110 12.554 281 HB2 ASN 42 1HB ASN 42 -1.076 -8.579 11.730 282 HB3 ASN 42 2HB ASN 42 -1.261 -7.635 13.205 283 HD21 ASN 42 1HD2 ASN 42 -0.703 -10.505 12.735 284 HD22 ASN 42 2HD2 ASN 42 -1.908 -11.353 13.638 285 H LEU 43 H LEU 43 -2.067 -7.095 9.427 286 HA LEU 43 HA LEU 43 -0.687 -4.595 9.878 287 HB2 LEU 43 1HB LEU 43 0.282 -6.291 8.419 288 HB3 LEU 43 2HB LEU 43 -1.123 -6.194 7.359 289 HG LEU 43 HG LEU 43 -0.511 -3.876 6.796 290 HD11 LEU 43 1HD1 LEU 43 1.165 -4.138 9.062 291 HD12 LEU 43 2HD1 LEU 43 0.913 -2.724 8.039 292 HD13 LEU 43 3HD1 LEU 43 2.197 -3.871 7.657 293 HD21 LEU 43 1HD2 LEU 43 1.263 -6.194 6.270 294 HD22 LEU 43 2HD2 LEU 43 1.827 -4.601 5.765 295 HD23 LEU 43 3HD2 LEU 43 0.296 -5.229 5.155 296 H GLU 44 H GLU 44 -3.823 -5.524 9.082 297 HA GLU 44 HA GLU 44 -4.674 -3.684 7.203 298 HB2 GLU 44 1HB GLU 44 -6.367 -5.125 7.711 299 HB3 GLU 44 2HB GLU 44 -5.963 -5.166 9.421 300 HG2 GLU 44 1HG GLU 44 -7.073 -3.107 9.821 301 HG3 GLU 44 2HG GLU 44 -7.267 -2.807 8.094 302 HA PRO 45 HA PRO 45 -5.583 -0.516 10.735 303 HB2 PRO 45 1HB PRO 45 -4.575 -1.069 13.195 304 HB3 PRO 45 2HB PRO 45 -6.177 -1.603 12.670 305 HG2 PRO 45 1HG PRO 45 -3.605 -3.132 12.756 306 HG3 PRO 45 2HG PRO 45 -5.232 -3.651 13.234 307 HD2 PRO 45 1HD PRO 45 -4.120 -4.342 10.864 308 HD3 PRO 45 2HD PRO 45 -5.866 -4.091 11.062 309 H GLU 46 H GLU 46 -2.531 -2.215 10.627 310 HA GLU 46 HA GLU 46 -0.951 0.015 11.504 311 HB2 GLU 46 1HB GLU 46 -0.210 -2.586 10.160 312 HB3 GLU 46 2HB GLU 46 0.966 -1.392 10.692 313 HG2 GLU 46 1HG GLU 46 -0.880 -3.058 12.366 314 HG3 GLU 46 2HG GLU 46 0.882 -3.014 12.384 315 H TRP 47 H TRP 47 -2.074 -1.241 8.447 316 HA TRP 47 HA TRP 47 -0.357 0.525 6.913 317 HB2 TRP 47 1HB TRP 47 -1.008 -1.819 6.181 318 HB3 TRP 47 2HB TRP 47 -2.619 -1.179 5.868 319 HD1 TRP 47 HD TRP 47 -3.008 -0.096 3.559 320 HE1 TRP 47 1HE TRP 47 -1.506 0.524 1.563 321 HE3 TRP 47 3HE TRP 47 1.562 -0.954 5.685 322 HZ2 TRP 47 2HZ TRP 47 1.251 0.635 0.969 323 HZ3 TRP 47 3HZ TRP 47 3.582 -0.567 4.334 324 HH2 TRP 47 HH TRP 47 3.428 0.211 2.025 325 H ALA 48 H ALA 48 -3.793 0.192 7.694 326 HA ALA 48 HA ALA 48 -4.872 2.172 6.107 327 HB1 ALA 48 1HB ALA 48 -6.460 0.953 7.235 328 HB2 ALA 48 2HB ALA 48 -5.610 1.066 8.777 329 HB3 ALA 48 3HB ALA 48 -6.482 2.463 8.147 330 H ALA 49 H ALA 49 -3.654 2.553 9.439 331 HA ALA 49 HA ALA 49 -3.985 5.356 9.522 332 HB1 ALA 49 1HB ALA 49 -2.965 5.288 11.596 333 HB2 ALA 49 2HB ALA 49 -3.618 3.656 11.445 334 HB3 ALA 49 3HB ALA 49 -1.905 3.951 11.147 335 H ALA 50 H ALA 50 -1.062 3.374 9.030 336 HA ALA 50 HA ALA 50 0.864 5.255 8.738 337 HB1 ALA 50 1HB ALA 50 1.012 2.713 8.444 338 HB2 ALA 50 2HB ALA 50 0.676 3.026 6.741 339 HB3 ALA 50 3HB ALA 50 2.110 3.720 7.499 340 H ALA 51 H ALA 51 -1.667 4.493 6.424 341 HA ALA 51 HA ALA 51 -0.652 5.948 4.235 342 HB1 ALA 51 1HB ALA 51 -3.591 5.699 4.689 343 HB2 ALA 51 2HB ALA 51 -2.664 5.538 3.197 344 HB3 ALA 51 3HB ALA 51 -2.629 4.248 4.400 345 H SER 52 H SER 52 -2.865 6.864 6.853 346 HA SER 52 HA SER 52 -3.320 9.501 5.901 347 HB2 SER 52 1HB SER 52 -3.828 8.060 8.478 348 HB3 SER 52 2HB SER 52 -3.987 9.816 8.428 349 HG SER 52 HG SER 52 -5.350 7.947 6.781 350 H GLU 53 H GLU 53 -1.107 8.126 8.301 351 HA GLU 53 HA GLU 53 -0.008 10.584 9.158 352 HB2 GLU 53 1HB GLU 53 0.271 8.652 10.541 353 HB3 GLU 53 2HB GLU 53 1.052 7.761 9.243 354 HG2 GLU 53 1HG GLU 53 2.830 8.358 10.571 355 HG3 GLU 53 2HG GLU 53 2.832 9.629 9.350 356 H VAL 54 H VAL 54 0.607 8.538 6.421 357 HA VAL 54 HA VAL 54 3.111 9.855 5.765 358 HB VAL 54 HB VAL 54 1.526 7.785 4.237 359 HG11 VAL 54 1HG1 VAL 54 4.313 8.832 3.750 360 HG12 VAL 54 2HG1 VAL 54 3.530 7.520 2.868 361 HG13 VAL 54 3HG1 VAL 54 2.896 9.162 2.754 362 HG21 VAL 54 1HG2 VAL 54 2.913 7.435 6.557 363 HG22 VAL 54 2HG2 VAL 54 2.632 6.180 5.350 364 HG23 VAL 54 3HG2 VAL 54 4.146 7.085 5.345 365 H LYS 55 H LYS 55 -0.232 9.797 4.657 366 HA LYS 55 HA LYS 55 0.172 11.390 2.343 367 HB2 LYS 55 1HB LYS 55 -1.832 10.305 2.180 368 HB3 LYS 55 2HB LYS 55 -2.158 10.421 3.905 369 HG2 LYS 55 1HG LYS 55 -2.656 12.842 3.574 370 HG3 LYS 55 2HG LYS 55 -2.504 12.578 1.835 371 HD2 LYS 55 1HD LYS 55 -4.411 11.260 1.741 372 HD3 LYS 55 2HD LYS 55 -4.347 10.870 3.461 373 HE2 LYS 55 1HE LYS 55 -4.760 13.702 2.617 374 HE3 LYS 55 2HE LYS 55 -6.112 12.574 2.537 375 HZ1 LYS 55 1HZ LYS 55 -4.524 13.276 4.944 376 HZ2 LYS 55 2HZ LYS 55 -5.696 12.057 4.903 377 HZ3 LYS 55 3HZ LYS 55 -6.142 13.668 4.644 378 H GLU 56 H GLU 56 -0.632 12.123 5.696 379 HA GLU 56 HA GLU 56 -1.076 14.914 5.211 380 HB2 GLU 56 1HB GLU 56 -1.599 15.080 7.447 381 HB3 GLU 56 2HB GLU 56 -1.924 13.375 7.165 382 HG2 GLU 56 1HG GLU 56 0.329 12.845 8.032 383 HG3 GLU 56 2HG GLU 56 0.551 14.553 8.407 384 H GLN 57 H GLN 57 1.625 12.923 6.245 385 HA GLN 57 HA GLN 57 3.304 15.149 6.926 386 HB2 GLN 57 1HB GLN 57 3.747 12.193 6.631 387 HB3 GLN 57 2HB GLN 57 5.106 13.290 6.842 388 HG2 GLN 57 1HG GLN 57 4.004 14.113 8.930 389 HG3 GLN 57 2HG GLN 57 2.824 12.817 8.740 390 HE21 GLN 57 1HE2 GLN 57 4.360 10.738 7.921 391 HE22 GLN 57 2HE2 GLN 57 5.489 10.307 9.156 392 H THR 58 H THR 58 2.946 12.992 4.153 393 HA THR 58 HA THR 58 5.089 14.329 2.715 394 HB THR 58 HB THR 58 4.812 12.698 1.004 395 HG1 THR 58 1HG THR 58 2.309 12.194 2.251 396 HG21 THR 58 1HG2 THR 58 5.011 11.910 3.770 397 HG22 THR 58 2HG2 THR 58 5.858 11.270 2.361 398 HG23 THR 58 3HG2 THR 58 4.279 10.625 2.810 399 H LYS 59 H LYS 59 2.103 15.250 3.412 400 HA LYS 59 HA LYS 59 0.610 16.715 2.519 401 HB2 LYS 59 1HB LYS 59 2.895 17.198 0.602 402 HB3 LYS 59 2HB LYS 59 1.429 18.169 0.646 403 HG2 LYS 59 1HG LYS 59 2.802 19.447 1.938 404 HG3 LYS 59 2HG LYS 59 2.068 18.432 3.182 405 HD2 LYS 59 1HD LYS 59 3.986 17.240 3.533 406 HD3 LYS 59 2HD LYS 59 4.551 17.452 1.875 407 HE2 LYS 59 1HE LYS 59 6.011 18.828 2.972 408 HE3 LYS 59 2HE LYS 59 4.721 19.975 2.615 409 HZ1 LYS 59 1HZ LYS 59 5.729 19.721 5.020 410 HZ2 LYS 59 2HZ LYS 59 4.564 18.500 5.133 411 HZ3 LYS 59 3HZ LYS 59 4.094 20.086 4.779 412 H GLY 60 H GLY 60 0.767 13.898 1.574 413 HA2 GLY 60 1HA GLY 60 -0.818 12.777 0.242 414 HA3 GLY 60 2HA GLY 60 -1.015 14.239 -0.714 415 H LYS 61 H LYS 61 2.144 14.158 -0.601 416 HA LYS 61 HA LYS 61 2.582 13.377 -3.213 417 HB2 LYS 61 1HB LYS 61 4.203 14.694 -1.978 418 HB3 LYS 61 2HB LYS 61 4.506 13.352 -0.882 419 HG2 LYS 61 1HG LYS 61 6.311 13.497 -2.444 420 HG3 LYS 61 2HG LYS 61 5.374 12.044 -2.799 421 HD2 LYS 61 1HD LYS 61 4.238 13.208 -4.616 422 HD3 LYS 61 2HD LYS 61 5.133 14.683 -4.245 423 HE2 LYS 61 1HE LYS 61 6.660 12.186 -4.788 424 HE3 LYS 61 2HE LYS 61 5.921 13.031 -6.147 425 HZ1 LYS 61 1HZ LYS 61 8.184 13.771 -5.789 426 HZ2 LYS 61 2HZ LYS 61 7.824 14.213 -4.197 427 HZ3 LYS 61 3HZ LYS 61 7.104 15.037 -5.486 428 H VAL 62 H VAL 62 3.712 11.494 -0.401 429 HA VAL 62 HA VAL 62 3.886 9.101 -1.998 430 HB VAL 62 HB VAL 62 4.199 9.339 0.994 431 HG11 VAL 62 1HG1 VAL 62 5.886 7.407 -0.274 432 HG12 VAL 62 2HG1 VAL 62 4.645 7.164 0.956 433 HG13 VAL 62 3HG1 VAL 62 4.212 7.131 -0.754 434 HG21 VAL 62 1HG2 VAL 62 6.401 9.486 -1.054 435 HG22 VAL 62 2HG2 VAL 62 5.661 10.911 -0.324 436 HG23 VAL 62 3HG2 VAL 62 6.520 9.747 0.686 437 H LYS 63 H LYS 63 2.040 8.125 -2.548 438 HA LYS 63 HA LYS 63 -0.167 8.005 -0.634 439 HB2 LYS 63 1HB LYS 63 -0.026 7.210 -3.549 440 HB3 LYS 63 2HB LYS 63 -1.471 7.122 -2.550 441 HG2 LYS 63 1HG LYS 63 -1.751 9.400 -2.510 442 HG3 LYS 63 2HG LYS 63 -0.041 9.723 -2.803 443 HD2 LYS 63 1HD LYS 63 -0.978 10.274 -4.840 444 HD3 LYS 63 2HD LYS 63 -0.508 8.593 -5.107 445 HE2 LYS 63 1HE LYS 63 -2.675 7.839 -5.060 446 HE3 LYS 63 2HE LYS 63 -3.228 9.165 -4.039 447 HZ1 LYS 63 1HZ LYS 63 -3.812 10.327 -5.818 448 HZ2 LYS 63 2HZ LYS 63 -3.510 8.957 -6.764 449 HZ3 LYS 63 3HZ LYS 63 -2.301 10.120 -6.550 450 H LEU 64 H LEU 64 -1.169 6.038 -0.052 451 HA LEU 64 HA LEU 64 0.567 3.676 -0.356 452 HB2 LEU 64 1HB LEU 64 -0.920 4.783 1.964 453 HB3 LEU 64 2HB LEU 64 -0.805 3.030 1.824 454 HG LEU 64 HG LEU 64 1.681 3.274 1.756 455 HD11 LEU 64 1HD1 LEU 64 1.972 5.503 1.016 456 HD12 LEU 64 2HD1 LEU 64 2.554 5.449 2.680 457 HD13 LEU 64 3HD1 LEU 64 0.973 6.143 2.320 458 HD21 LEU 64 1HD2 LEU 64 1.728 2.983 3.975 459 HD22 LEU 64 2HD2 LEU 64 -0.022 3.182 3.891 460 HD23 LEU 64 3HD2 LEU 64 1.005 4.559 4.294 461 H ALA 65 H ALA 65 -0.296 1.866 -1.176 462 HA ALA 65 HA ALA 65 -3.219 1.626 -1.318 463 HB1 ALA 65 1HB ALA 65 -3.105 0.895 -3.638 464 HB2 ALA 65 2HB ALA 65 -2.456 2.526 -3.463 465 HB3 ALA 65 3HB ALA 65 -1.360 1.157 -3.647 466 H ALA 66 H ALA 66 -3.920 -0.601 -1.881 467 HA ALA 66 HA ALA 66 -1.972 -2.621 -0.983 468 HB1 ALA 66 1HB ALA 66 -4.895 -2.799 -0.330 469 HB2 ALA 66 2HB ALA 66 -3.542 -3.664 0.400 470 HB3 ALA 66 3HB ALA 66 -3.762 -1.943 0.716 471 H VAL 67 H VAL 67 -2.297 -4.760 -1.789 472 HA VAL 67 HA VAL 67 -4.117 -4.996 -4.080 473 HB VAL 67 HB VAL 67 -1.193 -5.758 -4.139 474 HG11 VAL 67 1HG1 VAL 67 -2.630 -7.365 -5.321 475 HG12 VAL 67 2HG1 VAL 67 -3.298 -6.043 -6.281 476 HG13 VAL 67 3HG1 VAL 67 -1.592 -6.465 -6.426 477 HG21 VAL 67 1HG2 VAL 67 -0.973 -3.591 -4.689 478 HG22 VAL 67 2HG2 VAL 67 -1.615 -4.098 -6.251 479 HG23 VAL 67 3HG2 VAL 67 -2.691 -3.401 -5.040 480 H ASP 68 H ASP 68 -5.071 -6.950 -4.292 481 HA ASP 68 HA ASP 68 -4.595 -8.891 -2.180 482 HB2 ASP 68 1HB ASP 68 -6.663 -9.160 -4.348 483 HB3 ASP 68 2HB ASP 68 -6.694 -9.807 -2.710 484 H ALA 69 H ALA 69 -2.849 -10.126 -2.600 485 HA ALA 69 HA ALA 69 -1.931 -10.923 -5.116 486 HB1 ALA 69 1HB ALA 69 -0.984 -11.128 -2.579 487 HB2 ALA 69 2HB ALA 69 -1.391 -12.807 -2.933 488 HB3 ALA 69 3HB ALA 69 -0.277 -11.930 -3.981 489 H THR 70 H THR 70 -4.681 -11.917 -3.451 490 HA THR 70 HA THR 70 -4.767 -14.624 -4.435 491 HB THR 70 HB THR 70 -6.880 -14.822 -3.385 492 HG1 THR 70 1HG THR 70 -6.919 -11.973 -3.368 493 HG21 THR 70 1HG2 THR 70 -4.996 -14.624 -1.820 494 HG22 THR 70 2HG2 THR 70 -6.486 -13.986 -1.125 495 HG23 THR 70 3HG2 THR 70 -5.254 -12.882 -1.737 496 H VAL 71 H VAL 71 -5.513 -11.546 -5.679 497 HA VAL 71 HA VAL 71 -7.096 -12.770 -7.846 498 HB VAL 71 HB VAL 71 -7.257 -9.913 -6.874 499 HG11 VAL 71 1HG1 VAL 71 -8.168 -11.255 -9.285 500 HG12 VAL 71 2HG1 VAL 71 -9.481 -10.464 -8.410 501 HG13 VAL 71 3HG1 VAL 71 -8.070 -9.533 -8.916 502 HG21 VAL 71 1HG2 VAL 71 -9.293 -12.119 -6.597 503 HG22 VAL 71 2HG2 VAL 71 -8.218 -11.585 -5.305 504 HG23 VAL 71 3HG2 VAL 71 -9.414 -10.474 -5.972 505 H ASN 72 H ASN 72 -4.609 -10.426 -6.992 506 HA ASN 72 HA ASN 72 -4.048 -9.775 -9.749 507 HB2 ASN 72 1HB ASN 72 -2.915 -8.950 -7.098 508 HB3 ASN 72 2HB ASN 72 -2.008 -8.624 -8.573 509 HD21 ASN 72 1HD2 ASN 72 -5.286 -8.291 -7.260 510 HD22 ASN 72 2HD2 ASN 72 -5.590 -6.740 -7.956 511 H GLN 73 H GLN 73 -3.125 -11.309 -10.955 512 HA GLN 73 HA GLN 73 -0.960 -12.912 -9.776 513 HB2 GLN 73 1HB GLN 73 -2.685 -13.452 -12.198 514 HB3 GLN 73 2HB GLN 73 -1.366 -14.482 -11.657 515 HG2 GLN 73 1HG GLN 73 -3.534 -13.828 -9.734 516 HG3 GLN 73 2HG GLN 73 -3.861 -14.991 -11.018 517 HE21 GLN 73 1HE2 GLN 73 -3.105 -14.841 -7.921 518 HE22 GLN 73 2HE2 GLN 73 -2.124 -16.253 -7.747 519 H VAL 74 H VAL 74 -1.823 -10.808 -12.442 520 HA VAL 74 HA VAL 74 0.343 -11.143 -14.129 521 HB VAL 74 HB VAL 74 -1.016 -8.522 -13.484 522 HG11 VAL 74 1HG1 VAL 74 -0.308 -8.588 -16.168 523 HG12 VAL 74 2HG1 VAL 74 0.481 -7.662 -14.890 524 HG13 VAL 74 3HG1 VAL 74 1.089 -9.259 -15.327 525 HG21 VAL 74 1HG2 VAL 74 -1.734 -10.184 -15.844 526 HG22 VAL 74 2HG2 VAL 74 -2.366 -10.653 -14.266 527 HG23 VAL 74 3HG2 VAL 74 -2.720 -9.053 -14.917 528 H LEU 75 H LEU 75 0.094 -9.210 -11.185 529 HA LEU 75 HA LEU 75 2.825 -8.258 -11.469 530 HB2 LEU 75 1HB LEU 75 1.021 -7.849 -9.102 531 HB3 LEU 75 2HB LEU 75 2.401 -6.875 -9.604 532 HG LEU 75 HG LEU 75 -0.203 -7.056 -11.116 533 HD11 LEU 75 1HD1 LEU 75 -0.387 -4.644 -10.260 534 HD12 LEU 75 2HD1 LEU 75 0.778 -5.139 -9.032 535 HD13 LEU 75 3HD1 LEU 75 -0.782 -5.955 -9.147 536 HD21 LEU 75 1HD2 LEU 75 1.373 -6.414 -12.678 537 HD22 LEU 75 2HD2 LEU 75 2.349 -5.545 -11.493 538 HD23 LEU 75 3HD2 LEU 75 0.822 -4.860 -12.051 539 H ALA 76 H ALA 76 0.969 -10.076 -9.025 540 HA ALA 76 HA ALA 76 2.910 -10.779 -7.267 541 HB1 ALA 76 1HB ALA 76 1.638 -13.057 -7.169 542 HB2 ALA 76 2HB ALA 76 0.825 -11.566 -6.692 543 HB3 ALA 76 3HB ALA 76 0.528 -12.261 -8.285 544 H SER 77 H SER 77 2.554 -11.928 -10.534 545 HA SER 77 HA SER 77 4.541 -14.021 -10.176 546 HB2 SER 77 1HB SER 77 2.627 -13.241 -12.309 547 HB3 SER 77 2HB SER 77 4.120 -14.018 -12.834 548 HG SER 77 HG SER 77 3.198 -15.810 -12.275 549 H ARG 78 H ARG 78 4.236 -10.835 -11.618 550 HA ARG 78 HA ARG 78 6.630 -10.807 -13.084 551 HB2 ARG 78 1HB ARG 78 4.689 -9.130 -13.135 552 HB3 ARG 78 2HB ARG 78 5.452 -8.385 -11.737 553 HG2 ARG 78 1HG ARG 78 7.526 -8.132 -13.109 554 HG3 ARG 78 2HG ARG 78 6.591 -8.676 -14.504 555 HD2 ARG 78 1HD ARG 78 5.025 -6.810 -14.152 556 HD3 ARG 78 2HD ARG 78 6.011 -6.257 -12.798 557 HE ARG 78 HE ARG 78 7.462 -5.324 -14.295 558 HH11 ARG 78 2HH1 ARG 78 5.474 -7.651 -15.955 559 HH12 ARG 78 1HH1 ARG 78 6.074 -7.237 -17.526 560 HH21 ARG 78 2HH2 ARG 78 8.261 -4.771 -16.359 561 HH22 ARG 78 1HH2 ARG 78 7.660 -5.599 -17.755 562 H TYR 79 H TYR 79 5.928 -9.826 -9.748 563 HA TYR 79 HA TYR 79 8.790 -9.411 -9.278 564 HB2 TYR 79 1HB TYR 79 6.480 -8.820 -7.420 565 HB3 TYR 79 2HB TYR 79 8.148 -8.289 -7.236 566 HD1 TYR 79 1HD TYR 79 9.072 -6.566 -8.765 567 HD2 TYR 79 2HD TYR 79 4.956 -7.645 -8.830 568 HE1 TYR 79 1HE TYR 79 8.557 -4.504 -10.002 569 HE2 TYR 79 2HE TYR 79 4.431 -5.586 -10.069 570 HH TYR 79 HH TYR 79 6.987 -3.310 -11.019 571 H GLY 80 H GLY 80 6.268 -11.658 -8.716 572 HA2 GLY 80 1HA GLY 80 6.518 -13.835 -7.912 573 HA3 GLY 80 2HA GLY 80 8.112 -13.404 -7.310 574 H ILE 81 H ILE 81 5.097 -11.704 -6.634 575 HA ILE 81 HA ILE 81 5.592 -11.633 -3.851 576 HB ILE 81 HB ILE 81 2.932 -11.196 -5.206 577 HG12 ILE 81 1HG1 ILE 81 4.738 -9.853 -6.256 578 HG13 ILE 81 2HG1 ILE 81 3.547 -8.858 -5.425 579 HG21 ILE 81 1HG2 ILE 81 3.698 -11.169 -2.509 580 HG22 ILE 81 2HG2 ILE 81 3.508 -9.481 -2.980 581 HG23 ILE 81 3HG2 ILE 81 2.174 -10.614 -3.202 582 HD11 ILE 81 1HD1 ILE 81 5.911 -9.657 -3.856 583 HD12 ILE 81 2HD1 ILE 81 6.178 -8.515 -5.173 584 HD13 ILE 81 3HD1 ILE 81 5.028 -8.131 -3.892 585 H ARG 82 H ARG 82 5.681 -13.503 -2.748 586 HA ARG 82 HA ARG 82 3.313 -15.248 -2.868 587 HB2 ARG 82 1HB ARG 82 4.720 -17.202 -2.582 588 HB3 ARG 82 2HB ARG 82 5.232 -16.310 -4.008 589 HG2 ARG 82 1HG ARG 82 7.263 -16.722 -3.091 590 HG3 ARG 82 2HG ARG 82 6.893 -15.205 -2.269 591 HD2 ARG 82 1HD ARG 82 7.612 -16.610 -0.552 592 HD3 ARG 82 2HD ARG 82 5.853 -16.677 -0.444 593 HE ARG 82 HE ARG 82 6.674 -18.763 -2.094 594 HH11 ARG 82 2HH1 ARG 82 6.998 -17.775 1.228 595 HH12 ARG 82 1HH1 ARG 82 7.136 -19.393 1.832 596 HH21 ARG 82 2HH2 ARG 82 6.854 -20.898 -1.312 597 HH22 ARG 82 1HH2 ARG 82 7.054 -21.169 0.386 598 H GLY 83 H GLY 83 5.838 -13.764 -0.972 599 HA2 GLY 83 1HA GLY 83 4.698 -14.897 1.491 600 HA3 GLY 83 2HA GLY 83 6.273 -14.130 1.354 601 H PHE 84 H PHE 84 2.927 -13.680 1.973 602 HA PHE 84 HA PHE 84 3.191 -10.767 1.983 603 HB2 PHE 84 1HB PHE 84 0.655 -12.119 2.774 604 HB3 PHE 84 2HB PHE 84 0.898 -10.636 1.856 605 HD1 PHE 84 2HD PHE 84 2.808 -11.734 -0.204 606 HD2 PHE 84 1HD PHE 84 -0.852 -13.239 1.364 607 HE1 PHE 84 2HE PHE 84 2.422 -12.967 -2.298 608 HE2 PHE 84 1HE PHE 84 -1.243 -14.476 -0.727 609 HZ PHE 84 HZ PHE 84 0.394 -14.340 -2.562 610 HA PRO 85 HA PRO 85 1.692 -9.184 2.950 611 HB2 PRO 85 1HB PRO 85 2.711 -7.042 4.269 612 HB3 PRO 85 2HB PRO 85 1.207 -7.837 4.747 613 HG2 PRO 85 1HG PRO 85 3.957 -8.145 5.888 614 HG3 PRO 85 2HG PRO 85 2.404 -8.009 6.733 615 HD2 PRO 85 1HD PRO 85 3.648 -10.382 6.346 616 HD3 PRO 85 2HD PRO 85 1.880 -10.227 6.392 617 H THR 86 H THR 86 2.746 -7.490 1.649 618 HA THR 86 HA THR 86 5.660 -7.701 1.470 619 HB THR 86 HB THR 86 3.866 -8.051 -0.939 620 HG1 THR 86 1HG THR 86 5.618 -10.032 0.035 621 HG21 THR 86 1HG2 THR 86 6.760 -7.610 -0.558 622 HG22 THR 86 2HG2 THR 86 5.726 -7.233 -1.936 623 HG23 THR 86 3HG2 THR 86 6.319 -8.877 -1.703 624 H ILE 87 H ILE 87 6.330 -5.671 1.683 625 HA ILE 87 HA ILE 87 4.737 -3.507 0.500 626 HB ILE 87 HB ILE 87 6.940 -3.384 2.563 627 HG12 ILE 87 1HG1 ILE 87 4.092 -2.587 3.032 628 HG13 ILE 87 2HG1 ILE 87 4.527 -4.291 3.087 629 HG21 ILE 87 1HG2 ILE 87 7.014 -1.380 1.272 630 HG22 ILE 87 2HG2 ILE 87 5.260 -1.216 1.320 631 HG23 ILE 87 3HG2 ILE 87 6.205 -1.002 2.793 632 HD11 ILE 87 1HD1 ILE 87 4.939 -3.898 5.242 633 HD12 ILE 87 2HD1 ILE 87 6.442 -3.174 4.667 634 HD13 ILE 87 3HD1 ILE 87 5.044 -2.154 5.003 635 H LYS 88 H LYS 88 5.407 -2.550 -1.297 636 HA LYS 88 HA LYS 88 8.276 -2.516 -1.918 637 HB2 LYS 88 1HB LYS 88 6.092 -3.213 -3.890 638 HB3 LYS 88 2HB LYS 88 7.801 -3.041 -4.268 639 HG2 LYS 88 1HG LYS 88 7.031 -4.987 -2.164 640 HG3 LYS 88 2HG LYS 88 6.693 -5.398 -3.847 641 HD2 LYS 88 1HD LYS 88 9.194 -4.605 -4.171 642 HD3 LYS 88 2HD LYS 88 9.302 -5.029 -2.461 643 HE2 LYS 88 1HE LYS 88 8.430 -7.270 -2.984 644 HE3 LYS 88 2HE LYS 88 8.379 -6.838 -4.693 645 HZ1 LYS 88 1HZ LYS 88 10.939 -6.374 -3.476 646 HZ2 LYS 88 2HZ LYS 88 10.556 -7.184 -4.911 647 HZ3 LYS 88 3HZ LYS 88 10.472 -8.000 -3.431 648 H ILE 89 H ILE 89 9.014 -0.633 -2.743 649 HA ILE 89 HA ILE 89 7.033 1.501 -3.142 650 HB ILE 89 HB ILE 89 9.968 1.663 -2.459 651 HG12 ILE 89 1HG1 ILE 89 8.766 2.975 -0.483 652 HG13 ILE 89 2HG1 ILE 89 7.417 1.938 -0.935 653 HG21 ILE 89 1HG2 ILE 89 8.405 3.536 -3.853 654 HG22 ILE 89 2HG2 ILE 89 8.580 4.154 -2.211 655 HG23 ILE 89 3HG2 ILE 89 10.012 3.767 -3.164 656 HD11 ILE 89 1HD1 ILE 89 9.682 0.283 -0.778 657 HD12 ILE 89 2HD1 ILE 89 9.708 1.328 0.643 658 HD13 ILE 89 3HD1 ILE 89 8.290 0.335 0.304 659 H PHE 90 H PHE 90 6.888 2.586 -5.029 660 HA PHE 90 HA PHE 90 8.844 1.931 -7.131 661 HB2 PHE 90 1HB PHE 90 5.862 2.309 -7.478 662 HB3 PHE 90 2HB PHE 90 7.015 2.005 -8.773 663 HD1 PHE 90 1HD PHE 90 5.627 0.537 -5.660 664 HD2 PHE 90 2HD PHE 90 7.548 -0.171 -9.392 665 HE1 PHE 90 1HE PHE 90 5.323 -1.886 -5.353 666 HE2 PHE 90 2HE PHE 90 7.246 -2.595 -9.092 667 HZ PHE 90 HZ PHE 90 6.132 -3.455 -7.071 668 H GLN 91 H GLN 91 9.758 3.616 -8.124 669 HA GLN 91 HA GLN 91 8.532 6.270 -7.754 670 HB2 GLN 91 1HB GLN 91 11.350 5.348 -7.454 671 HB3 GLN 91 2HB GLN 91 11.075 6.964 -8.090 672 HG2 GLN 91 1HG GLN 91 9.887 7.610 -6.119 673 HG3 GLN 91 2HG GLN 91 9.921 5.959 -5.502 674 HE21 GLN 91 1HE2 GLN 91 11.263 5.800 -3.867 675 HE22 GLN 91 2HE2 GLN 91 12.811 6.556 -3.736 676 H LYS 92 H LYS 92 8.462 7.646 -9.488 677 HA LYS 92 HA LYS 92 8.560 6.463 -12.080 678 HB2 LYS 92 1HB LYS 92 6.899 8.137 -11.652 679 HB3 LYS 92 2HB LYS 92 8.118 9.302 -11.152 680 HG2 LYS 92 1HG LYS 92 7.732 10.061 -13.252 681 HG3 LYS 92 2HG LYS 92 8.997 8.884 -13.615 682 HD2 LYS 92 1HD LYS 92 7.454 8.248 -15.168 683 HD3 LYS 92 2HD LYS 92 6.903 7.263 -13.810 684 HE2 LYS 92 1HE LYS 92 5.060 8.575 -13.431 685 HE3 LYS 92 2HE LYS 92 5.815 10.019 -14.105 686 HZ1 LYS 92 1HZ LYS 92 5.207 7.753 -15.875 687 HZ2 LYS 92 2HZ LYS 92 5.299 9.403 -16.238 688 HZ3 LYS 92 3HZ LYS 92 3.956 8.792 -15.409 689 H GLY 93 H GLY 93 10.307 6.184 -13.292 690 HA2 GLY 93 1HA GLY 93 12.106 7.214 -14.547 691 HA3 GLY 93 2HA GLY 93 12.452 8.203 -13.137 692 H GLU 94 H GLU 94 12.353 6.159 -11.181 693 HA GLU 94 HA GLU 94 14.802 4.688 -11.886 694 HB2 GLU 94 1HB GLU 94 15.196 4.572 -9.429 695 HB3 GLU 94 2HB GLU 94 15.177 6.212 -10.063 696 HG2 GLU 94 1HG GLU 94 12.919 6.531 -9.243 697 HG3 GLU 94 2HG GLU 94 12.875 4.866 -8.666 698 H SER 95 H SER 95 15.073 2.590 -10.668 699 HA SER 95 HA SER 95 12.779 0.942 -11.188 700 HB2 SER 95 1HB SER 95 14.331 -0.887 -10.293 701 HB3 SER 95 2HB SER 95 14.864 -0.038 -11.743 702 HG SER 95 HG SER 95 16.615 0.080 -10.508 703 HA PRO 96 HA PRO 96 10.993 0.702 -7.187 704 HB2 PRO 96 1HB PRO 96 10.162 -1.882 -7.120 705 HB3 PRO 96 2HB PRO 96 9.380 -0.647 -8.114 706 HG2 PRO 96 1HG PRO 96 11.385 -2.724 -8.905 707 HG3 PRO 96 2HG PRO 96 9.917 -2.206 -9.754 708 HD2 PRO 96 1HD PRO 96 12.386 -1.344 -10.454 709 HD3 PRO 96 2HD PRO 96 10.936 -0.336 -10.636 710 H VAL 97 H VAL 97 11.137 -0.336 -5.081 711 HA VAL 97 HA VAL 97 13.674 -1.787 -4.685 712 HB VAL 97 HB VAL 97 13.602 -0.667 -2.350 713 HG11 VAL 97 1HG1 VAL 97 15.080 -0.207 -4.491 714 HG12 VAL 97 2HG1 VAL 97 14.219 1.333 -4.461 715 HG13 VAL 97 3HG1 VAL 97 15.173 0.828 -3.066 716 HG21 VAL 97 1HG2 VAL 97 12.373 1.690 -3.581 717 HG22 VAL 97 2HG2 VAL 97 11.252 0.363 -3.274 718 HG23 VAL 97 3HG2 VAL 97 12.201 1.040 -1.950 719 H ASP 98 H ASP 98 13.617 -2.634 -2.231 720 HA ASP 98 HA ASP 98 11.042 -4.023 -1.880 721 HB2 ASP 98 1HB ASP 98 12.226 -6.013 -1.180 722 HB3 ASP 98 2HB ASP 98 12.831 -5.515 -2.758 723 H TYR 99 H TYR 99 10.122 -3.087 -0.165 724 HA TYR 99 HA TYR 99 11.590 -1.921 1.976 725 HB2 TYR 99 1HB TYR 99 9.351 -1.129 1.306 726 HB3 TYR 99 2HB TYR 99 8.657 -2.656 1.839 727 HD1 TYR 99 2HD TYR 99 8.703 -3.239 4.272 728 HD2 TYR 99 1HD TYR 99 9.817 0.613 2.848 729 HE1 TYR 99 2HE TYR 99 8.422 -2.326 6.539 730 HE2 TYR 99 1HE TYR 99 9.540 1.536 5.110 731 HH TYR 99 HH TYR 99 8.382 -0.479 7.788 732 H ASP 100 H ASP 100 12.583 -2.973 3.550 733 HA ASP 100 HA ASP 100 11.341 -5.400 4.643 734 HB2 ASP 100 1HB ASP 100 14.264 -5.069 3.936 735 HB3 ASP 100 2HB ASP 100 13.607 -6.414 4.865 736 H GLY 101 H GLY 101 10.915 -5.058 6.716 737 HA2 GLY 101 1HA GLY 101 12.813 -4.392 8.647 738 HA3 GLY 101 2HA GLY 101 11.987 -2.905 8.204 739 H GLY 102 H GLY 102 10.586 -2.424 9.763 740 HA2 GLY 102 1HA GLY 102 9.286 -4.512 11.294 741 HA3 GLY 102 2HA GLY 102 9.138 -2.780 11.551 742 H ARG 103 H ARG 103 6.912 -4.308 11.757 743 HA ARG 103 HA ARG 103 5.450 -3.715 9.267 744 HB2 ARG 103 1HB ARG 103 5.670 -6.156 9.837 745 HB3 ARG 103 2HB ARG 103 4.731 -5.838 11.290 746 HG2 ARG 103 1HG ARG 103 2.841 -5.129 9.940 747 HG3 ARG 103 2HG ARG 103 3.782 -5.386 8.469 748 HD2 ARG 103 1HD ARG 103 2.393 -7.294 8.752 749 HD3 ARG 103 2HD ARG 103 4.036 -7.782 9.167 750 HE ARG 103 HE ARG 103 1.767 -7.582 10.956 751 HH11 ARG 103 2HH1 ARG 103 5.222 -7.862 10.634 752 HH12 ARG 103 1HH1 ARG 103 5.450 -8.502 12.228 753 HH21 ARG 103 2HH2 ARG 103 2.054 -8.423 13.057 754 HH22 ARG 103 1HH2 ARG 103 3.647 -8.822 13.605 755 H THR 104 H THR 104 5.711 -1.655 10.945 756 HA THR 104 HA THR 104 3.018 -1.400 12.085 757 HB THR 104 HB THR 104 3.923 -0.118 14.001 758 HG1 THR 104 1HG THR 104 6.029 0.208 14.213 759 HG21 THR 104 1HG2 THR 104 4.665 -2.016 15.295 760 HG22 THR 104 2HG2 THR 104 5.094 -2.896 13.828 761 HG23 THR 104 3HG2 THR 104 3.403 -2.543 14.182 762 H ARG 105 H ARG 105 2.040 0.523 11.709 763 HA ARG 105 HA ARG 105 2.603 2.144 9.649 764 HB2 ARG 105 1HB ARG 105 1.131 3.752 10.538 765 HB3 ARG 105 2HB ARG 105 0.600 2.226 11.232 766 HG2 ARG 105 1HG ARG 105 2.212 2.944 13.187 767 HG3 ARG 105 2HG ARG 105 1.905 4.554 12.533 768 HD2 ARG 105 1HD ARG 105 -0.510 4.164 12.743 769 HD3 ARG 105 2HD ARG 105 -0.185 2.569 13.421 770 HE ARG 105 HE ARG 105 0.267 3.559 15.430 771 HH11 ARG 105 2HH1 ARG 105 0.378 5.976 12.927 772 HH12 ARG 105 1HH1 ARG 105 0.541 7.301 14.032 773 HH21 ARG 105 2HH2 ARG 105 0.480 5.295 16.895 774 HH22 ARG 105 1HH2 ARG 105 0.599 6.912 16.289 775 H SER 106 H SER 106 4.034 2.380 12.852 776 HA SER 106 HA SER 106 5.267 4.850 12.697 777 HB2 SER 106 1HB SER 106 5.892 2.305 14.130 778 HB3 SER 106 2HB SER 106 7.112 3.579 14.119 779 HG SER 106 HG SER 106 5.199 4.953 14.787 780 H ASP 107 H ASP 107 6.767 1.714 11.892 781 HA ASP 107 HA ASP 107 9.073 2.860 10.722 782 HB2 ASP 107 1HB ASP 107 7.856 0.107 10.452 783 HB3 ASP 107 2HB ASP 107 9.418 0.556 9.774 784 H ILE 108 H ILE 108 6.226 1.317 9.232 785 HA ILE 108 HA ILE 108 6.824 1.620 6.582 786 HB ILE 108 HB ILE 108 4.122 2.011 7.874 787 HG12 ILE 108 1HG1 ILE 108 4.951 -0.464 6.426 788 HG13 ILE 108 2HG1 ILE 108 5.571 -0.205 8.052 789 HG21 ILE 108 1HG2 ILE 108 4.963 1.758 5.014 790 HG22 ILE 108 2HG2 ILE 108 3.376 1.197 5.536 791 HG23 ILE 108 3HG2 ILE 108 3.827 2.889 5.748 792 HD11 ILE 108 1HD1 ILE 108 3.699 -1.094 8.819 793 HD12 ILE 108 2HD1 ILE 108 2.837 0.319 8.209 794 HD13 ILE 108 3HD1 ILE 108 2.991 -1.122 7.204 795 H VAL 109 H VAL 109 5.539 4.068 8.780 796 HA VAL 109 HA VAL 109 5.205 6.061 6.756 797 HB VAL 109 HB VAL 109 5.261 6.221 9.766 798 HG11 VAL 109 1HG1 VAL 109 4.638 8.450 7.832 799 HG12 VAL 109 2HG1 VAL 109 4.568 8.532 9.594 800 HG13 VAL 109 3HG1 VAL 109 6.118 8.316 8.780 801 HG21 VAL 109 1HG2 VAL 109 2.831 7.078 8.539 802 HG22 VAL 109 2HG2 VAL 109 3.280 5.502 7.886 803 HG23 VAL 109 3HG2 VAL 109 3.103 5.717 9.628 804 H SER 110 H SER 110 7.633 5.484 9.287 805 HA SER 110 HA SER 110 9.247 7.662 9.019 806 HB2 SER 110 1HB SER 110 9.804 6.041 10.672 807 HB3 SER 110 2HB SER 110 9.990 4.769 9.465 808 HG SER 110 HG SER 110 11.935 5.999 10.403 809 H ARG 111 H ARG 111 9.291 4.757 6.982 810 HA ARG 111 HA ARG 111 11.442 5.564 5.341 811 HB2 ARG 111 1HB ARG 111 10.503 3.229 5.562 812 HB3 ARG 111 2HB ARG 111 9.170 3.746 4.539 813 HG2 ARG 111 1HG ARG 111 10.723 2.626 3.150 814 HG3 ARG 111 2HG ARG 111 10.866 4.348 2.795 815 HD2 ARG 111 1HD ARG 111 13.075 3.860 2.996 816 HD3 ARG 111 2HD ARG 111 12.721 4.179 4.693 817 HE ARG 111 HE ARG 111 12.351 1.432 3.976 818 HH11 ARG 111 2HH1 ARG 111 14.698 3.827 4.913 819 HH12 ARG 111 1HH1 ARG 111 15.806 2.671 5.574 820 HH21 ARG 111 2HH2 ARG 111 13.802 -0.099 4.843 821 HH22 ARG 111 1HH2 ARG 111 15.296 0.438 5.533 822 H ALA 112 H ALA 112 7.925 5.641 4.750 823 HA ALA 112 HA ALA 112 7.771 6.745 2.290 824 HB1 ALA 112 1HB ALA 112 5.621 7.319 2.773 825 HB2 ALA 112 2HB ALA 112 5.946 6.261 4.147 826 HB3 ALA 112 3HB ALA 112 6.039 8.011 4.341 827 H LEU 113 H LEU 113 8.632 8.436 5.258 828 HA LEU 113 HA LEU 113 8.669 11.033 4.056 829 HB2 LEU 113 1HB LEU 113 9.967 10.090 6.608 830 HB3 LEU 113 2HB LEU 113 9.688 11.766 6.137 831 HG LEU 113 HG LEU 113 7.545 9.733 6.757 832 HD11 LEU 113 1HD1 LEU 113 7.202 11.537 8.636 833 HD12 LEU 113 2HD1 LEU 113 8.921 11.824 8.365 834 HD13 LEU 113 3HD1 LEU 113 8.358 10.221 8.837 835 HD21 LEU 113 1HD2 LEU 113 6.978 11.494 5.055 836 HD22 LEU 113 2HD2 LEU 113 7.254 12.697 6.315 837 HD23 LEU 113 3HD2 LEU 113 5.975 11.497 6.505 838 H ASP 114 H ASP 114 11.065 8.545 4.743 839 HA ASP 114 HA ASP 114 13.389 9.997 4.224 840 HB2 ASP 114 1HB ASP 114 12.652 7.107 4.121 841 HB3 ASP 114 2HB ASP 114 14.182 7.601 3.401 842 H LEU 115 H LEU 115 10.999 8.704 2.065 843 HA LEU 115 HA LEU 115 12.691 9.188 -0.268 844 HB2 LEU 115 1HB LEU 115 9.860 8.188 -0.297 845 HB3 LEU 115 2HB LEU 115 11.098 8.005 -1.538 846 HG LEU 115 HG LEU 115 11.327 6.691 1.158 847 HD11 LEU 115 1HD1 LEU 115 10.174 5.453 -1.334 848 HD12 LEU 115 2HD1 LEU 115 9.211 6.022 0.029 849 HD13 LEU 115 3HD1 LEU 115 10.359 4.702 0.251 850 HD21 LEU 115 1HD2 LEU 115 12.685 5.098 -0.350 851 HD22 LEU 115 2HD2 LEU 115 13.399 6.645 0.108 852 HD23 LEU 115 3HD2 LEU 115 12.693 6.438 -1.496 853 H PHE 116 H PHE 116 9.616 10.240 1.142 854 HA PHE 116 HA PHE 116 8.697 11.955 -0.789 855 HB2 PHE 116 1HB PHE 116 7.264 11.729 1.024 856 HB3 PHE 116 2HB PHE 116 8.546 11.997 2.201 857 HD1 PHE 116 2HD PHE 116 6.380 13.674 -0.280 858 HD2 PHE 116 1HD PHE 116 8.989 14.142 3.051 859 HE1 PHE 116 2HE PHE 116 5.698 16.029 -0.081 860 HE2 PHE 116 1HE PHE 116 8.310 16.498 3.255 861 HZ PHE 116 HZ PHE 116 6.663 17.445 1.688 862 H SER 117 H SER 117 11.202 12.560 1.625 863 HA SER 117 HA SER 117 11.556 15.306 1.037 864 HB2 SER 117 1HB SER 117 13.439 15.221 2.452 865 HB3 SER 117 2HB SER 117 12.361 13.984 3.098 866 HG SER 117 HG SER 117 13.613 12.416 2.176 867 H ASP 118 H ASP 118 13.032 12.360 -0.213 868 HA ASP 118 HA ASP 118 15.056 13.608 -1.741 869 HB2 ASP 118 1HB ASP 118 13.769 10.906 -1.742 870 HB3 ASP 118 2HB ASP 118 14.811 11.359 -3.088 871 H ASN 119 H ASN 119 11.758 12.584 -2.524 872 HA ASN 119 HA ASN 119 12.010 13.659 -5.220 873 HB2 ASN 119 1HB ASN 119 9.672 12.290 -3.870 874 HB3 ASN 119 2HB ASN 119 9.760 12.727 -5.574 875 HD21 ASN 119 1HD2 ASN 119 10.506 10.410 -3.216 876 HD22 ASN 119 2HD2 ASN 119 11.380 9.313 -4.225 877 H ALA 120 H ALA 120 9.342 13.906 -2.881 878 HA ALA 120 HA ALA 120 8.510 16.437 -3.842 879 HB1 ALA 120 1HB ALA 120 6.743 15.415 -2.863 880 HB2 ALA 120 2HB ALA 120 7.734 14.636 -1.629 881 HB3 ALA 120 3HB ALA 120 7.296 16.337 -1.464 882 HA PRO 121 HA PRO 121 11.084 19.246 -1.655 883 HB2 PRO 121 1HB PRO 121 9.383 21.338 -1.339 884 HB3 PRO 121 2HB PRO 121 10.100 20.911 -2.897 885 HG2 PRO 121 1HG PRO 121 7.376 20.278 -1.828 886 HG3 PRO 121 2HG PRO 121 7.843 20.819 -3.451 887 HD2 PRO 121 1HD PRO 121 7.306 18.228 -2.878 888 HD3 PRO 121 2HD PRO 121 8.497 18.708 -4.103 889 HA PRO 122 HA PRO 122 9.823 18.170 2.553 890 HB2 PRO 122 1HB PRO 122 12.294 18.527 3.618 891 HB3 PRO 122 2HB PRO 122 11.824 17.058 2.754 892 HG2 PRO 122 1HG PRO 122 13.383 19.417 1.771 893 HG3 PRO 122 2HG PRO 122 13.678 17.690 1.501 894 HD2 PRO 122 1HD PRO 122 12.497 19.272 -0.351 895 HD3 PRO 122 2HD PRO 122 12.097 17.552 -0.171 896 HA PRO 123 HA PRO 123 9.288 22.114 4.423 897 HB2 PRO 123 1HB PRO 123 9.563 21.535 7.061 898 HB3 PRO 123 2HB PRO 123 8.153 21.047 6.112 899 HG2 PRO 123 1HG PRO 123 10.558 19.444 6.893 900 HG3 PRO 123 2HG PRO 123 8.848 18.973 6.901 901 HD2 PRO 123 1HD PRO 123 10.550 18.247 4.924 902 HD3 PRO 123 2HD PRO 123 8.825 18.548 4.635 903 H GLU 124 H GLU 124 10.307 23.762 5.809 904 HA GLU 124 HA GLU 124 13.226 23.597 5.610 905 HB2 GLU 124 1HB GLU 124 11.815 25.504 4.581 906 HB3 GLU 124 2HB GLU 124 11.672 26.094 6.231 907 HG2 GLU 124 1HG GLU 124 13.467 27.272 5.316 908 HG3 GLU 124 2HG GLU 124 14.206 26.025 6.319 909 H LEU 125 H LEU 125 14.336 23.138 7.380 910 HA LEU 125 HA LEU 125 13.112 23.598 10.000 911 HB2 LEU 125 1HB LEU 125 15.194 21.763 8.943 912 HB3 LEU 125 2HB LEU 125 15.309 22.251 10.633 913 HG LEU 125 HG LEU 125 14.154 20.058 10.197 914 HD11 LEU 125 1HD1 LEU 125 13.582 20.623 12.285 915 HD12 LEU 125 2HD1 LEU 125 12.022 21.044 11.579 916 HD13 LEU 125 3HD1 LEU 125 13.235 22.296 11.844 917 HD21 LEU 125 1HD2 LEU 125 12.027 19.969 9.242 918 HD22 LEU 125 2HD2 LEU 125 12.928 21.036 8.165 919 HD23 LEU 125 3HD2 LEU 125 11.804 21.715 9.343 920 H LEU 126 H LEU 126 14.568 25.580 8.156 921 HA LEU 126 HA LEU 126 16.175 26.766 10.292 922 HB2 LEU 126 1HB LEU 126 17.625 25.499 8.642 923 HB3 LEU 126 2HB LEU 126 17.146 26.703 7.446 924 HG LEU 126 HG LEU 126 18.108 28.438 9.048 925 HD11 LEU 126 1HD1 LEU 126 19.593 27.772 10.732 926 HD12 LEU 126 2HD1 LEU 126 19.619 26.100 10.170 927 HD13 LEU 126 3HD1 LEU 126 18.176 26.745 10.951 928 HD21 LEU 126 1HD2 LEU 126 19.882 28.440 7.699 929 HD22 LEU 126 2HD2 LEU 126 19.224 26.963 6.996 930 HD23 LEU 126 3HD2 LEU 126 20.427 26.868 8.283 931 H GLU 127 H GLU 127 15.296 28.680 10.680 932 HA GLU 127 HA GLU 127 13.444 30.015 9.143 933 HB2 GLU 127 1HB GLU 127 14.375 30.429 11.587 934 HB3 GLU 127 2HB GLU 127 15.354 31.637 10.765 935 HG2 GLU 127 1HG GLU 127 13.426 32.803 10.009 936 HG3 GLU 127 2HG GLU 127 12.360 31.506 10.545 937 H SER 128 H SER 128 16.959 30.525 9.222 938 HA SER 128 HA SER 128 16.785 32.418 7.022 939 HB2 SER 128 1HB SER 128 18.332 32.872 8.890 940 HB3 SER 128 2HB SER 128 19.207 31.386 8.521 941 HG SER 128 HG SER 128 19.275 32.511 6.286 942 H GLY 129 H GLY 129 17.420 32.045 4.953 943 HA2 GLY 129 1HA GLY 129 18.436 29.340 4.336 944 HA3 GLY 129 2HA GLY 129 17.159 30.088 3.388 945 HA PRO 130 HA PRO 130 21.098 30.951 1.178 946 HB2 PRO 130 1HB PRO 130 20.029 30.629 -1.297 947 HB3 PRO 130 2HB PRO 130 20.637 29.280 -0.330 948 HG2 PRO 130 1HG PRO 130 17.820 30.220 -0.710 949 HG3 PRO 130 2HG PRO 130 18.455 28.565 -0.698 950 HD2 PRO 130 1HD PRO 130 17.216 29.665 1.444 951 HD3 PRO 130 2HD PRO 130 18.521 28.472 1.605 952 H SER 131 H SER 131 21.709 32.925 0.497 953 HA SER 131 HA SER 131 20.117 35.166 0.746 954 HB2 SER 131 1HB SER 131 22.604 34.747 -0.923 955 HB3 SER 131 2HB SER 131 21.872 36.327 -0.643 956 HG SER 131 HG SER 131 22.793 36.359 1.235 957 H SER 132 H SER 132 21.016 33.487 -2.262 958 HA SER 132 HA SER 132 18.791 34.877 -3.602 959 HB2 SER 132 1HB SER 132 20.946 35.401 -4.611 960 HB3 SER 132 2HB SER 132 21.312 33.684 -4.782 961 HG SER 132 HG SER 132 20.250 33.712 -6.582 962 H GLY 133 H GLY 133 17.490 33.682 -5.085 963 HA2 GLY 133 1HA GLY 133 16.161 31.884 -5.612 964 HA3 GLY 133 2HA GLY 133 17.669 30.983 -5.672 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -10.141 11.659 -8.296 2 HA2 GLY 1 1HA GLY 1 -7.694 10.534 -7.833 3 HA3 GLY 1 2HA GLY 1 -8.059 11.382 -6.337 4 H SER 2 H SER 2 -8.610 8.587 -8.213 5 HA SER 2 HA SER 2 -11.017 7.721 -6.948 6 HB2 SER 2 1HB SER 2 -8.924 6.228 -8.541 7 HB3 SER 2 2HB SER 2 -10.419 5.495 -7.960 8 HG SER 2 HG SER 2 -11.485 7.279 -9.134 9 H SER 3 H SER 3 -11.095 7.324 -4.837 10 HA SER 3 HA SER 3 -8.771 6.399 -3.389 11 HB2 SER 3 1HB SER 3 -11.602 6.927 -2.452 12 HB3 SER 3 2HB SER 3 -10.232 6.570 -1.400 13 HG SER 3 HG SER 3 -10.899 8.903 -2.707 14 H GLY 4 H GLY 4 -8.939 4.537 -1.883 15 HA2 GLY 4 1HA GLY 4 -9.915 2.229 -3.331 16 HA3 GLY 4 2HA GLY 4 -8.966 2.211 -1.853 17 H SER 5 H SER 5 -10.284 0.650 -0.893 18 HA SER 5 HA SER 5 -12.988 1.582 -0.178 19 HB2 SER 5 1HB SER 5 -13.563 -0.826 0.122 20 HB3 SER 5 2HB SER 5 -13.114 -0.426 -1.536 21 HG SER 5 HG SER 5 -10.933 -1.127 -0.130 22 H SER 6 H SER 6 -10.712 2.399 1.252 23 HA SER 6 HA SER 6 -11.473 1.749 3.888 24 HB2 SER 6 1HB SER 6 -10.206 -0.355 3.159 25 HB3 SER 6 2HB SER 6 -8.755 0.648 3.178 26 HG SER 6 HG SER 6 -9.915 -0.555 5.220 27 H GLY 7 H GLY 7 -11.262 3.723 4.712 28 HA2 GLY 7 1HA GLY 7 -10.438 5.866 5.027 29 HA3 GLY 7 2HA GLY 7 -8.996 4.967 5.474 30 H ASP 8 H ASP 8 -7.308 5.966 4.598 31 HA ASP 8 HA ASP 8 -7.520 7.317 2.050 32 HB2 ASP 8 1HB ASP 8 -6.205 8.278 3.919 33 HB3 ASP 8 2HB ASP 8 -5.100 6.910 3.820 34 H VAL 9 H VAL 9 -6.666 4.215 3.154 35 HA VAL 9 HA VAL 9 -4.690 3.422 1.359 36 HB VAL 9 HB VAL 9 -6.949 1.699 2.384 37 HG11 VAL 9 1HG1 VAL 9 -4.737 0.127 2.264 38 HG12 VAL 9 2HG1 VAL 9 -5.967 0.223 1.003 39 HG13 VAL 9 3HG1 VAL 9 -4.490 1.178 0.870 40 HG21 VAL 9 1HG2 VAL 9 -4.349 1.605 3.740 41 HG22 VAL 9 2HG2 VAL 9 -5.235 3.116 3.948 42 HG23 VAL 9 3HG2 VAL 9 -5.981 1.586 4.409 43 H ILE 10 H ILE 10 -4.673 3.275 -0.778 44 HA ILE 10 HA ILE 10 -7.206 3.321 -2.235 45 HB ILE 10 HB ILE 10 -4.375 3.677 -3.226 46 HG12 ILE 10 1HG1 ILE 10 -6.485 5.802 -3.234 47 HG13 ILE 10 2HG1 ILE 10 -5.615 5.461 -1.742 48 HG21 ILE 10 1HG2 ILE 10 -5.736 2.725 -4.971 49 HG22 ILE 10 2HG2 ILE 10 -7.007 3.910 -4.675 50 HG23 ILE 10 3HG2 ILE 10 -5.452 4.429 -5.324 51 HD11 ILE 10 1HD1 ILE 10 -4.827 7.121 -3.848 52 HD12 ILE 10 2HD1 ILE 10 -3.890 6.658 -2.427 53 HD13 ILE 10 3HD1 ILE 10 -3.765 5.714 -3.912 54 H GLU 11 H GLU 11 -7.682 1.849 -3.911 55 HA GLU 11 HA GLU 11 -6.309 -0.739 -3.627 56 HB2 GLU 11 1HB GLU 11 -8.867 -0.368 -3.125 57 HB3 GLU 11 2HB GLU 11 -9.014 -0.480 -4.873 58 HG2 GLU 11 1HG GLU 11 -8.388 -2.687 -4.927 59 HG3 GLU 11 2HG GLU 11 -7.504 -2.585 -3.405 60 H LEU 12 H LEU 12 -5.243 -1.548 -5.312 61 HA LEU 12 HA LEU 12 -5.744 -0.375 -7.969 62 HB2 LEU 12 1HB LEU 12 -3.127 -1.438 -6.919 63 HB3 LEU 12 2HB LEU 12 -3.402 -0.681 -8.487 64 HG LEU 12 HG LEU 12 -3.670 0.724 -5.830 65 HD11 LEU 12 1HD1 LEU 12 -1.358 0.155 -7.519 66 HD12 LEU 12 2HD1 LEU 12 -1.436 0.694 -5.842 67 HD13 LEU 12 3HD1 LEU 12 -1.570 1.867 -7.152 68 HD21 LEU 12 1HD2 LEU 12 -3.367 2.679 -7.604 69 HD22 LEU 12 2HD2 LEU 12 -4.950 2.024 -7.186 70 HD23 LEU 12 3HD2 LEU 12 -4.134 1.489 -8.657 71 H THR 13 H THR 13 -4.831 -1.865 -9.751 72 HA THR 13 HA THR 13 -5.357 -4.685 -9.103 73 HB THR 13 HB THR 13 -6.723 -5.005 -11.033 74 HG1 THR 13 1HG THR 13 -6.981 -3.471 -12.594 75 HG21 THR 13 1HG2 THR 13 -7.981 -4.181 -9.167 76 HG22 THR 13 2HG2 THR 13 -8.598 -3.395 -10.621 77 HG23 THR 13 3HG2 THR 13 -7.528 -2.517 -9.529 78 H ASP 14 H ASP 14 -4.920 -5.951 -11.359 79 HA ASP 14 HA ASP 14 -2.148 -5.918 -11.706 80 HB2 ASP 14 1HB ASP 14 -4.238 -7.031 -13.590 81 HB3 ASP 14 2HB ASP 14 -2.530 -7.460 -13.574 82 H ASP 15 H ASP 15 -4.687 -4.210 -13.378 83 HA ASP 15 HA ASP 15 -2.756 -3.167 -15.328 84 HB2 ASP 15 1HB ASP 15 -5.135 -4.134 -15.903 85 HB3 ASP 15 2HB ASP 15 -5.679 -2.529 -15.424 86 H SER 16 H SER 16 -5.200 -2.089 -12.991 87 HA SER 16 HA SER 16 -4.791 0.669 -13.301 88 HB2 SER 16 1HB SER 16 -6.007 -1.073 -11.212 89 HB3 SER 16 2HB SER 16 -5.617 0.587 -10.763 90 HG SER 16 HG SER 16 -7.334 -0.308 -12.828 91 H PHE 17 H PHE 17 -3.067 -1.751 -11.471 92 HA PHE 17 HA PHE 17 -1.699 -0.300 -9.602 93 HB2 PHE 17 1HB PHE 17 -1.304 -2.615 -9.606 94 HB3 PHE 17 2HB PHE 17 -0.856 -2.627 -11.308 95 HD1 PHE 17 2HD PHE 17 1.290 -1.254 -11.907 96 HD2 PHE 17 1HD PHE 17 0.350 -2.689 -8.012 97 HE1 PHE 17 2HE PHE 17 3.665 -1.105 -11.283 98 HE2 PHE 17 1HE PHE 17 2.724 -2.542 -7.381 99 HZ PHE 17 HZ PHE 17 4.385 -1.750 -9.018 100 H ASP 18 H ASP 18 -1.022 -0.520 -13.057 101 HA ASP 18 HA ASP 18 1.289 1.222 -12.822 102 HB2 ASP 18 1HB ASP 18 1.815 0.628 -14.985 103 HB3 ASP 18 2HB ASP 18 0.900 -0.790 -14.484 104 H LYS 19 H LYS 19 -1.957 1.313 -14.245 105 HA LYS 19 HA LYS 19 -1.789 3.898 -15.334 106 HB2 LYS 19 1HB LYS 19 -4.278 2.544 -14.285 107 HB3 LYS 19 2HB LYS 19 -4.199 3.822 -15.490 108 HG2 LYS 19 1HG LYS 19 -2.799 2.153 -16.859 109 HG3 LYS 19 2HG LYS 19 -3.445 0.939 -15.753 110 HD2 LYS 19 1HD LYS 19 -5.189 2.861 -17.279 111 HD3 LYS 19 2HD LYS 19 -4.730 1.275 -17.904 112 HE2 LYS 19 1HE LYS 19 -6.023 1.617 -15.214 113 HE3 LYS 19 2HE LYS 19 -6.972 1.468 -16.692 114 HZ1 LYS 19 1HZ LYS 19 -4.908 -0.538 -16.288 115 HZ2 LYS 19 2HZ LYS 19 -6.477 -0.705 -16.898 116 HZ3 LYS 19 3HZ LYS 19 -6.225 -0.611 -15.228 117 H ASN 20 H ASN 20 -2.035 2.836 -12.099 118 HA ASN 20 HA ASN 20 -2.962 5.473 -11.196 119 HB2 ASN 20 1HB ASN 20 -2.928 2.753 -9.925 120 HB3 ASN 20 2HB ASN 20 -3.019 4.198 -8.921 121 HD21 ASN 20 1HD2 ASN 20 -4.641 2.239 -11.286 122 HD22 ASN 20 2HD2 ASN 20 -6.207 2.943 -11.092 123 H VAL 21 H VAL 21 -0.211 3.412 -11.351 124 HA VAL 21 HA VAL 21 1.258 5.065 -9.422 125 HB VAL 21 HB VAL 21 2.009 2.438 -10.711 126 HG11 VAL 21 1HG1 VAL 21 3.496 4.150 -8.726 127 HG12 VAL 21 2HG1 VAL 21 3.906 2.474 -9.097 128 HG13 VAL 21 3HG1 VAL 21 4.010 3.709 -10.354 129 HG21 VAL 21 1HG2 VAL 21 0.213 2.688 -8.796 130 HG22 VAL 21 2HG2 VAL 21 1.396 1.379 -8.775 131 HG23 VAL 21 3HG2 VAL 21 1.650 2.813 -7.780 132 H LEU 22 H LEU 22 2.009 3.495 -12.539 133 HA LEU 22 HA LEU 22 4.147 5.162 -13.202 134 HB2 LEU 22 1HB LEU 22 2.299 3.845 -15.178 135 HB3 LEU 22 2HB LEU 22 3.992 4.276 -15.410 136 HG LEU 22 HG LEU 22 2.835 2.007 -13.819 137 HD11 LEU 22 1HD1 LEU 22 4.178 0.645 -15.219 138 HD12 LEU 22 2HD1 LEU 22 5.044 2.041 -15.862 139 HD13 LEU 22 3HD1 LEU 22 3.346 1.791 -16.272 140 HD21 LEU 22 1HD2 LEU 22 4.937 1.582 -12.816 141 HD22 LEU 22 2HD2 LEU 22 4.567 3.277 -12.497 142 HD23 LEU 22 3HD2 LEU 22 5.723 2.849 -13.758 143 H ASP 23 H ASP 23 0.700 5.545 -13.688 144 HA ASP 23 HA ASP 23 0.886 7.747 -15.490 145 HB2 ASP 23 1HB ASP 23 -1.120 6.148 -15.002 146 HB3 ASP 23 2HB ASP 23 -1.483 7.286 -13.708 147 H SER 24 H SER 24 1.811 7.525 -12.363 148 HA SER 24 HA SER 24 1.419 10.406 -11.937 149 HB2 SER 24 1HB SER 24 -0.091 8.751 -10.535 150 HB3 SER 24 2HB SER 24 1.376 8.574 -9.572 151 HG SER 24 HG SER 24 0.339 10.266 -8.673 152 H GLU 25 H GLU 25 3.215 11.473 -11.377 153 HA GLU 25 HA GLU 25 5.706 10.049 -11.259 154 HB2 GLU 25 1HB GLU 25 4.983 12.969 -11.069 155 HB3 GLU 25 2HB GLU 25 6.635 12.396 -10.886 156 HG2 GLU 25 1HG GLU 25 6.408 13.086 -13.125 157 HG3 GLU 25 2HG GLU 25 6.403 11.323 -13.145 158 H ASP 26 H ASP 26 3.430 10.366 -9.011 159 HA ASP 26 HA ASP 26 5.118 11.103 -6.764 160 HB2 ASP 26 1HB ASP 26 2.331 10.001 -6.531 161 HB3 ASP 26 2HB ASP 26 3.170 11.117 -5.457 162 H VAL 27 H VAL 27 5.367 9.695 -4.902 163 HA VAL 27 HA VAL 27 6.152 7.053 -5.681 164 HB VAL 27 HB VAL 27 6.026 8.218 -2.897 165 HG11 VAL 27 1HG1 VAL 27 6.895 6.307 -2.157 166 HG12 VAL 27 2HG1 VAL 27 6.510 5.613 -3.734 167 HG13 VAL 27 3HG1 VAL 27 8.112 6.288 -3.434 168 HG21 VAL 27 1HG2 VAL 27 8.602 8.036 -4.320 169 HG22 VAL 27 2HG2 VAL 27 7.485 9.269 -4.904 170 HG23 VAL 27 3HG2 VAL 27 7.999 9.272 -3.217 171 H TRP 28 H TRP 28 5.014 5.232 -5.575 172 HA TRP 28 HA TRP 28 2.512 5.245 -4.019 173 HB2 TRP 28 1HB TRP 28 3.190 4.077 -6.695 174 HB3 TRP 28 2HB TRP 28 1.928 3.335 -5.716 175 HD1 TRP 28 HD TRP 28 2.755 6.694 -7.428 176 HE1 TRP 28 1HE TRP 28 0.542 7.918 -7.903 177 HE3 TRP 28 3HE TRP 28 -0.466 3.483 -5.094 178 HZ2 TRP 28 2HZ TRP 28 -2.206 7.569 -7.360 179 HZ3 TRP 28 3HZ TRP 28 -2.871 4.001 -5.117 180 HH2 TRP 28 HH TRP 28 -3.721 6.003 -6.227 181 H MET 29 H MET 29 2.768 4.113 -2.209 182 HA MET 29 HA MET 29 4.671 1.929 -2.076 183 HB2 MET 29 1HB MET 29 3.090 3.510 -0.115 184 HB3 MET 29 2HB MET 29 3.554 1.879 0.350 185 HG2 MET 29 1HG MET 29 5.906 2.450 -0.120 186 HG3 MET 29 2HG MET 29 5.404 4.100 -0.479 187 HE1 MET 29 1HE MET 29 6.680 1.711 1.606 188 HE2 MET 29 2HE MET 29 7.321 2.823 2.815 189 HE3 MET 29 3HE MET 29 5.947 1.788 3.208 190 H VAL 30 H VAL 30 4.046 0.030 -2.879 191 HA VAL 30 HA VAL 30 1.253 -0.795 -2.681 192 HB VAL 30 HB VAL 30 3.561 -2.134 -4.099 193 HG11 VAL 30 1HG1 VAL 30 1.308 -3.055 -5.286 194 HG12 VAL 30 2HG1 VAL 30 2.169 -3.899 -3.998 195 HG13 VAL 30 3HG1 VAL 30 0.766 -2.901 -3.615 196 HG21 VAL 30 1HG2 VAL 30 3.211 -0.791 -5.839 197 HG22 VAL 30 2HG2 VAL 30 1.471 -1.068 -5.782 198 HG23 VAL 30 3HG2 VAL 30 2.195 0.195 -4.787 199 H GLU 31 H GLU 31 0.545 -2.169 -1.189 200 HA GLU 31 HA GLU 31 2.510 -3.881 0.187 201 HB2 GLU 31 1HB GLU 31 1.921 -2.201 1.761 202 HB3 GLU 31 2HB GLU 31 0.217 -2.301 1.340 203 HG2 GLU 31 1HG GLU 31 0.516 -3.344 3.453 204 HG3 GLU 31 2HG GLU 31 0.187 -4.607 2.268 205 H PHE 32 H PHE 32 2.110 -5.794 -0.800 206 HA PHE 32 HA PHE 32 -0.530 -6.689 -1.445 207 HB2 PHE 32 1HB PHE 32 2.008 -8.327 -1.316 208 HB3 PHE 32 2HB PHE 32 0.533 -8.726 -2.191 209 HD1 PHE 32 2HD PHE 32 3.473 -6.524 -2.110 210 HD2 PHE 32 1HD PHE 32 0.062 -7.781 -4.325 211 HE1 PHE 32 2HE PHE 32 4.357 -5.391 -4.107 212 HE2 PHE 32 1HE PHE 32 0.941 -6.650 -6.326 213 HZ PHE 32 HZ PHE 32 3.090 -5.452 -6.219 214 H TYR 33 H TYR 33 -1.914 -7.838 -0.251 215 HA TYR 33 HA TYR 33 -0.928 -9.204 2.153 216 HB2 TYR 33 1HB TYR 33 -2.610 -8.282 3.545 217 HB3 TYR 33 2HB TYR 33 -1.915 -6.918 2.677 218 HD1 TYR 33 1HD TYR 33 -4.769 -9.311 2.547 219 HD2 TYR 33 2HD TYR 33 -3.308 -5.446 1.533 220 HE1 TYR 33 1HE TYR 33 -7.013 -8.675 1.766 221 HE2 TYR 33 2HE TYR 33 -5.548 -4.799 0.750 222 HH TYR 33 HH TYR 33 -8.173 -5.975 1.506 223 H ALA 34 H ALA 34 -2.697 -10.636 3.099 224 HA ALA 34 HA ALA 34 -4.285 -11.829 0.920 225 HB1 ALA 34 1HB ALA 34 -2.618 -13.407 1.226 226 HB2 ALA 34 2HB ALA 34 -2.543 -13.141 2.968 227 HB3 ALA 34 3HB ALA 34 -3.910 -14.008 2.266 228 HA PRO 35 HA PRO 35 -7.714 -11.120 3.626 229 HB2 PRO 35 1HB PRO 35 -9.532 -12.621 2.280 230 HB3 PRO 35 2HB PRO 35 -8.991 -11.035 1.718 231 HG2 PRO 35 1HG PRO 35 -8.104 -13.758 0.845 232 HG3 PRO 35 2HG PRO 35 -8.459 -12.327 -0.141 233 HD2 PRO 35 1HD PRO 35 -5.933 -13.071 0.492 234 HD3 PRO 35 2HD PRO 35 -6.404 -11.372 0.281 235 H TRP 36 H TRP 36 -6.240 -14.150 3.022 236 HA TRP 36 HA TRP 36 -7.776 -15.377 5.218 237 HB2 TRP 36 1HB TRP 36 -6.782 -17.553 4.157 238 HB3 TRP 36 2HB TRP 36 -8.189 -16.787 3.425 239 HD1 TRP 36 HD TRP 36 -8.018 -16.443 0.899 240 HE1 TRP 36 1HE TRP 36 -6.110 -16.326 -0.824 241 HE3 TRP 36 3HE TRP 36 -4.030 -16.746 4.083 242 HZ2 TRP 36 2HZ TRP 36 -3.288 -16.359 -0.833 243 HZ3 TRP 36 3HZ TRP 36 -1.759 -16.697 3.136 244 HH2 TRP 36 HH TRP 36 -1.398 -16.507 0.729 245 H CYS 37 H CYS 37 -5.217 -13.673 5.075 246 HA CYS 37 HA CYS 37 -3.509 -15.527 6.602 247 HB2 CYS 37 1HB CYS 37 -2.579 -14.660 4.405 248 HB3 CYS 37 2HB CYS 37 -2.551 -13.064 5.143 249 HG CYS 37 HG CYS 37 -0.951 -15.627 6.696 250 H GLY 38 H GLY 38 -3.400 -15.096 8.699 251 HA2 GLY 38 1HA GLY 38 -4.646 -13.019 10.009 252 HA3 GLY 38 2HA GLY 38 -3.299 -13.928 10.677 253 H HIS 39 H HIS 39 -1.150 -13.215 9.325 254 HA HIS 39 HA HIS 39 -0.206 -10.926 10.354 255 HB2 HIS 39 1HB HIS 39 0.376 -12.131 7.653 256 HB3 HIS 39 2HB HIS 39 1.268 -10.743 8.269 257 HD1 HIS 39 1HD HIS 39 2.383 -13.707 7.708 258 HD2 HIS 39 2HD HIS 39 1.498 -12.017 11.399 259 HE1 HIS 39 1HE HIS 39 3.759 -14.986 9.381 260 HE2 HIS 39 2HE HIS 39 3.142 -14.002 11.616 261 H CYS 40 H CYS 40 -1.958 -11.132 7.272 262 HA CYS 40 HA CYS 40 -1.812 -8.436 6.566 263 HB2 CYS 40 1HB CYS 40 -2.587 -9.791 4.852 264 HB3 CYS 40 2HB CYS 40 -3.688 -10.670 5.904 265 HG CYS 40 HG CYS 40 -5.573 -8.626 6.047 266 H LYS 41 H LYS 41 -4.386 -10.157 8.324 267 HA LYS 41 HA LYS 41 -6.142 -8.090 8.752 268 HB2 LYS 41 1HB LYS 41 -5.422 -10.529 10.315 269 HB3 LYS 41 2HB LYS 41 -6.475 -9.337 11.066 270 HG2 LYS 41 1HG LYS 41 -8.039 -10.676 10.107 271 HG3 LYS 41 2HG LYS 41 -7.768 -9.550 8.775 272 HD2 LYS 41 1HD LYS 41 -5.921 -11.283 8.095 273 HD3 LYS 41 2HD LYS 41 -6.885 -12.386 9.079 274 HE2 LYS 41 1HE LYS 41 -7.898 -12.706 7.063 275 HE3 LYS 41 2HE LYS 41 -8.858 -11.350 7.651 276 HZ1 LYS 41 1HZ LYS 41 -8.316 -10.559 5.615 277 HZ2 LYS 41 2HZ LYS 41 -6.871 -11.432 5.515 278 HZ3 LYS 41 3HZ LYS 41 -6.942 -10.018 6.442 279 H ASN 42 H ASN 42 -3.342 -8.964 10.765 280 HA ASN 42 HA ASN 42 -3.695 -6.850 12.621 281 HB2 ASN 42 1HB ASN 42 -1.449 -8.727 11.965 282 HB3 ASN 42 2HB ASN 42 -1.169 -7.372 13.056 283 HD21 ASN 42 1HD2 ASN 42 -2.894 -10.357 12.571 284 HD22 ASN 42 2HD2 ASN 42 -3.351 -10.592 14.221 285 H LEU 43 H LEU 43 -2.590 -6.898 9.427 286 HA LEU 43 HA LEU 43 -0.940 -4.509 9.736 287 HB2 LEU 43 1HB LEU 43 0.078 -6.021 8.291 288 HB3 LEU 43 2HB LEU 43 -1.444 -6.441 7.508 289 HG LEU 43 HG LEU 43 -1.400 -4.045 6.582 290 HD11 LEU 43 1HD1 LEU 43 0.982 -3.241 6.280 291 HD12 LEU 43 2HD1 LEU 43 1.416 -4.339 7.589 292 HD13 LEU 43 3HD1 LEU 43 0.277 -3.025 7.882 293 HD21 LEU 43 1HD2 LEU 43 0.318 -6.339 5.753 294 HD22 LEU 43 2HD2 LEU 43 0.412 -4.820 4.862 295 HD23 LEU 43 3HD2 LEU 43 -1.125 -5.677 4.985 296 H GLU 44 H GLU 44 -4.115 -5.448 8.837 297 HA GLU 44 HA GLU 44 -4.944 -3.581 7.021 298 HB2 GLU 44 1HB GLU 44 -6.666 -4.975 7.553 299 HB3 GLU 44 2HB GLU 44 -6.255 -5.008 9.262 300 HG2 GLU 44 1HG GLU 44 -7.285 -2.878 9.616 301 HG3 GLU 44 2HG GLU 44 -7.548 -2.667 7.886 302 HA PRO 45 HA PRO 45 -5.767 -0.349 10.515 303 HB2 PRO 45 1HB PRO 45 -4.776 -0.899 12.982 304 HB3 PRO 45 2HB PRO 45 -6.390 -1.397 12.462 305 HG2 PRO 45 1HG PRO 45 -3.858 -2.991 12.569 306 HG3 PRO 45 2HG PRO 45 -5.498 -3.463 13.051 307 HD2 PRO 45 1HD PRO 45 -4.402 -4.210 10.690 308 HD3 PRO 45 2HD PRO 45 -6.142 -3.912 10.884 309 H GLU 46 H GLU 46 -2.746 -2.144 10.572 310 HA GLU 46 HA GLU 46 -1.103 0.020 11.410 311 HB2 GLU 46 1HB GLU 46 -0.448 -2.545 9.957 312 HB3 GLU 46 2HB GLU 46 0.764 -1.408 10.530 313 HG2 GLU 46 1HG GLU 46 -1.156 -3.028 12.176 314 HG3 GLU 46 2HG GLU 46 0.601 -3.157 12.124 315 H TRP 47 H TRP 47 -2.240 -1.133 8.306 316 HA TRP 47 HA TRP 47 -0.513 0.673 6.833 317 HB2 TRP 47 1HB TRP 47 -1.246 -1.662 6.057 318 HB3 TRP 47 2HB TRP 47 -2.800 -0.919 5.686 319 HD1 TRP 47 HD TRP 47 -3.017 0.148 3.358 320 HE1 TRP 47 1HE TRP 47 -1.385 0.754 1.462 321 HE3 TRP 47 3HE TRP 47 1.398 -0.824 5.746 322 HZ2 TRP 47 2HZ TRP 47 1.405 0.812 1.035 323 HZ3 TRP 47 3HZ TRP 47 3.503 -0.469 4.523 324 HH2 TRP 47 HH TRP 47 3.505 0.332 2.217 325 H ALA 48 H ALA 48 -3.955 0.348 7.598 326 HA ALA 48 HA ALA 48 -4.996 2.407 6.078 327 HB1 ALA 48 1HB ALA 48 -6.886 2.327 7.436 328 HB2 ALA 48 2HB ALA 48 -6.192 0.713 7.595 329 HB3 ALA 48 3HB ALA 48 -5.954 1.904 8.873 330 H ALA 49 H ALA 49 -3.513 2.571 9.295 331 HA ALA 49 HA ALA 49 -3.929 5.383 9.589 332 HB1 ALA 49 1HB ALA 49 -1.873 3.789 11.086 333 HB2 ALA 49 2HB ALA 49 -2.777 5.206 11.620 334 HB3 ALA 49 3HB ALA 49 -3.595 3.654 11.440 335 H ALA 50 H ALA 50 -1.058 3.395 8.881 336 HA ALA 50 HA ALA 50 0.876 5.305 8.664 337 HB1 ALA 50 1HB ALA 50 2.034 3.523 8.035 338 HB2 ALA 50 2HB ALA 50 0.535 2.631 7.770 339 HB3 ALA 50 3HB ALA 50 1.248 3.566 6.456 340 H ALA 51 H ALA 51 -1.433 4.370 6.129 341 HA ALA 51 HA ALA 51 -0.527 5.961 4.061 342 HB1 ALA 51 1HB ALA 51 -3.069 4.688 4.774 343 HB2 ALA 51 2HB ALA 51 -3.222 6.083 3.704 344 HB3 ALA 51 3HB ALA 51 -2.204 4.721 3.237 345 H SER 52 H SER 52 -2.844 6.818 6.621 346 HA SER 52 HA SER 52 -3.251 9.476 5.725 347 HB2 SER 52 1HB SER 52 -3.825 7.995 8.269 348 HB3 SER 52 2HB SER 52 -4.014 9.748 8.219 349 HG SER 52 HG SER 52 -5.854 9.394 7.292 350 H GLU 53 H GLU 53 -1.104 8.045 8.150 351 HA GLU 53 HA GLU 53 -0.029 10.510 9.060 352 HB2 GLU 53 1HB GLU 53 0.121 8.549 10.457 353 HB3 GLU 53 2HB GLU 53 1.027 7.685 9.223 354 HG2 GLU 53 1HG GLU 53 2.664 8.312 10.720 355 HG3 GLU 53 2HG GLU 53 2.761 9.569 9.488 356 H VAL 54 H VAL 54 0.627 8.471 6.347 357 HA VAL 54 HA VAL 54 3.229 9.625 5.816 358 HB VAL 54 HB VAL 54 1.515 7.694 4.256 359 HG11 VAL 54 1HG1 VAL 54 2.803 9.106 2.716 360 HG12 VAL 54 2HG1 VAL 54 4.284 8.682 3.577 361 HG13 VAL 54 3HG1 VAL 54 3.377 7.438 2.714 362 HG21 VAL 54 1HG2 VAL 54 3.334 7.386 6.398 363 HG22 VAL 54 2HG2 VAL 54 2.516 6.128 5.472 364 HG23 VAL 54 3HG2 VAL 54 4.098 6.715 4.958 365 H LYS 55 H LYS 55 -0.030 9.770 4.429 366 HA LYS 55 HA LYS 55 0.656 11.550 2.323 367 HB2 LYS 55 1HB LYS 55 -1.580 11.514 1.756 368 HB3 LYS 55 2HB LYS 55 -1.437 10.004 2.646 369 HG2 LYS 55 1HG LYS 55 -2.418 10.973 4.592 370 HG3 LYS 55 2HG LYS 55 -2.368 12.586 3.878 371 HD2 LYS 55 1HD LYS 55 -3.857 11.613 2.035 372 HD3 LYS 55 2HD LYS 55 -4.115 10.256 3.135 373 HE2 LYS 55 1HE LYS 55 -5.871 11.570 3.753 374 HE3 LYS 55 2HE LYS 55 -4.640 12.216 4.837 375 HZ1 LYS 55 1HZ LYS 55 -6.018 13.499 2.683 376 HZ2 LYS 55 2HZ LYS 55 -4.341 13.674 2.557 377 HZ3 LYS 55 3HZ LYS 55 -5.140 14.181 3.959 378 H GLU 56 H GLU 56 -0.075 11.971 5.671 379 HA GLU 56 HA GLU 56 -0.775 14.755 5.460 380 HB2 GLU 56 1HB GLU 56 -1.029 14.730 7.796 381 HB3 GLU 56 2HB GLU 56 -1.533 13.126 7.282 382 HG2 GLU 56 1HG GLU 56 0.486 12.149 8.030 383 HG3 GLU 56 2HG GLU 56 1.241 13.725 8.264 384 H GLN 57 H GLN 57 2.115 12.883 6.013 385 HA GLN 57 HA GLN 57 3.660 15.233 6.756 386 HB2 GLN 57 1HB GLN 57 4.353 12.311 6.487 387 HB3 GLN 57 2HB GLN 57 5.564 13.546 6.805 388 HG2 GLN 57 1HG GLN 57 4.398 14.159 8.862 389 HG3 GLN 57 2HG GLN 57 3.188 12.917 8.544 390 HE21 GLN 57 1HE2 GLN 57 4.251 10.700 8.079 391 HE22 GLN 57 2HE2 GLN 57 5.465 10.219 9.210 392 H THR 58 H THR 58 3.342 12.972 4.068 393 HA THR 58 HA THR 58 5.439 14.244 2.543 394 HB THR 58 HB THR 58 4.876 12.677 0.769 395 HG1 THR 58 1HG THR 58 2.629 12.122 2.420 396 HG21 THR 58 1HG2 THR 58 5.741 10.833 1.796 397 HG22 THR 58 2HG2 THR 58 4.626 10.934 3.158 398 HG23 THR 58 3HG2 THR 58 6.024 12.006 3.081 399 H LYS 59 H LYS 59 2.855 15.643 3.399 400 HA LYS 59 HA LYS 59 1.351 17.135 2.554 401 HB2 LYS 59 1HB LYS 59 3.613 17.353 0.573 402 HB3 LYS 59 2HB LYS 59 2.206 18.407 0.516 403 HG2 LYS 59 1HG LYS 59 3.901 18.132 2.977 404 HG3 LYS 59 2HG LYS 59 4.264 19.293 1.698 405 HD2 LYS 59 1HD LYS 59 1.548 19.172 2.968 406 HD3 LYS 59 2HD LYS 59 2.864 20.086 3.708 407 HE2 LYS 59 1HE LYS 59 2.241 20.501 0.820 408 HE3 LYS 59 2HE LYS 59 1.198 21.236 2.037 409 HZ1 LYS 59 1HZ LYS 59 2.828 22.826 1.542 410 HZ2 LYS 59 2HZ LYS 59 4.087 21.699 1.593 411 HZ3 LYS 59 3HZ LYS 59 3.311 22.164 3.022 412 H GLY 60 H GLY 60 1.190 14.296 1.651 413 HA2 GLY 60 1HA GLY 60 -0.469 13.223 0.418 414 HA3 GLY 60 2HA GLY 60 -0.801 14.739 -0.407 415 H LYS 61 H LYS 61 2.474 13.683 -0.257 416 HA LYS 61 HA LYS 61 2.504 13.348 -3.139 417 HB2 LYS 61 1HB LYS 61 4.305 14.641 -2.343 418 HB3 LYS 61 2HB LYS 61 4.637 13.524 -1.025 419 HG2 LYS 61 1HG LYS 61 6.362 13.254 -2.620 420 HG3 LYS 61 2HG LYS 61 5.317 11.837 -2.750 421 HD2 LYS 61 1HD LYS 61 5.571 12.365 -4.966 422 HD3 LYS 61 2HD LYS 61 4.123 13.300 -4.585 423 HE2 LYS 61 1HE LYS 61 5.896 15.155 -3.983 424 HE3 LYS 61 2HE LYS 61 6.913 14.220 -5.080 425 HZ1 LYS 61 1HZ LYS 61 4.319 15.519 -5.690 426 HZ2 LYS 61 2HZ LYS 61 5.063 14.411 -6.729 427 HZ3 LYS 61 3HZ LYS 61 5.834 15.871 -6.358 428 H VAL 62 H VAL 62 4.034 11.476 -0.516 429 HA VAL 62 HA VAL 62 4.078 9.091 -2.099 430 HB VAL 62 HB VAL 62 4.591 9.400 0.863 431 HG11 VAL 62 1HG1 VAL 62 6.122 7.323 -0.211 432 HG12 VAL 62 2HG1 VAL 62 4.730 7.181 0.864 433 HG13 VAL 62 3HG1 VAL 62 4.507 7.114 -0.885 434 HG21 VAL 62 1HG2 VAL 62 6.363 9.721 -1.536 435 HG22 VAL 62 2HG2 VAL 62 6.160 10.800 -0.155 436 HG23 VAL 62 3HG2 VAL 62 7.021 9.273 0.038 437 H LYS 63 H LYS 63 2.157 8.200 -2.582 438 HA LYS 63 HA LYS 63 0.083 8.003 -0.540 439 HB2 LYS 63 1HB LYS 63 0.046 7.216 -3.460 440 HB3 LYS 63 2HB LYS 63 -1.339 7.176 -2.376 441 HG2 LYS 63 1HG LYS 63 -1.491 9.490 -2.278 442 HG3 LYS 63 2HG LYS 63 0.171 9.719 -2.828 443 HD2 LYS 63 1HD LYS 63 -0.940 10.231 -4.757 444 HD3 LYS 63 2HD LYS 63 -0.758 8.490 -4.981 445 HE2 LYS 63 1HE LYS 63 -3.018 9.073 -5.501 446 HE3 LYS 63 2HE LYS 63 -3.019 8.196 -3.971 447 HZ1 LYS 63 1HZ LYS 63 -4.258 9.907 -3.278 448 HZ2 LYS 63 2HZ LYS 63 -3.758 10.932 -4.527 449 HZ3 LYS 63 3HZ LYS 63 -2.791 10.741 -3.152 450 H LEU 64 H LEU 64 -0.889 6.016 0.049 451 HA LEU 64 HA LEU 64 0.838 3.668 -0.388 452 HB2 LEU 64 1HB LEU 64 -0.482 4.747 2.038 453 HB3 LEU 64 2HB LEU 64 -0.410 2.995 1.867 454 HG LEU 64 HG LEU 64 2.076 3.210 1.624 455 HD11 LEU 64 1HD1 LEU 64 3.192 5.199 2.026 456 HD12 LEU 64 2HD1 LEU 64 1.789 5.956 2.778 457 HD13 LEU 64 3HD1 LEU 64 1.829 5.713 1.032 458 HD21 LEU 64 1HD2 LEU 64 0.943 4.289 4.202 459 HD22 LEU 64 2HD2 LEU 64 2.473 3.438 3.989 460 HD23 LEU 64 3HD2 LEU 64 0.947 2.587 3.740 461 H ALA 65 H ALA 65 -0.069 1.941 -1.299 462 HA ALA 65 HA ALA 65 -3.004 1.705 -1.261 463 HB1 ALA 65 1HB ALA 65 -1.847 2.515 -3.468 464 HB2 ALA 65 2HB ALA 65 -1.482 0.800 -3.658 465 HB3 ALA 65 3HB ALA 65 -3.157 1.335 -3.521 466 H ALA 66 H ALA 66 -3.686 -0.563 -1.987 467 HA ALA 66 HA ALA 66 -1.785 -2.579 -0.996 468 HB1 ALA 66 1HB ALA 66 -3.236 -2.267 0.835 469 HB2 ALA 66 2HB ALA 66 -4.662 -2.223 -0.202 470 HB3 ALA 66 3HB ALA 66 -3.790 -3.737 0.033 471 H VAL 67 H VAL 67 -2.188 -4.751 -1.750 472 HA VAL 67 HA VAL 67 -3.987 -5.008 -4.040 473 HB VAL 67 HB VAL 67 -1.052 -5.709 -4.195 474 HG11 VAL 67 1HG1 VAL 67 -1.470 -6.886 -6.049 475 HG12 VAL 67 2HG1 VAL 67 -3.145 -6.917 -5.494 476 HG13 VAL 67 3HG1 VAL 67 -2.621 -5.695 -6.654 477 HG21 VAL 67 1HG2 VAL 67 -1.479 -3.969 -6.211 478 HG22 VAL 67 2HG2 VAL 67 -2.601 -3.336 -5.007 479 HG23 VAL 67 3HG2 VAL 67 -0.888 -3.497 -4.618 480 H ASP 68 H ASP 68 -4.817 -7.028 -4.309 481 HA ASP 68 HA ASP 68 -4.263 -8.945 -2.190 482 HB2 ASP 68 1HB ASP 68 -6.361 -8.998 -4.370 483 HB3 ASP 68 2HB ASP 68 -6.262 -10.111 -3.008 484 H ALA 69 H ALA 69 -2.416 -10.036 -2.631 485 HA ALA 69 HA ALA 69 -1.437 -10.787 -5.118 486 HB1 ALA 69 1HB ALA 69 -1.025 -12.438 -2.643 487 HB2 ALA 69 2HB ALA 69 0.087 -12.168 -3.985 488 HB3 ALA 69 3HB ALA 69 -0.268 -10.859 -2.857 489 H THR 70 H THR 70 -4.143 -11.981 -3.458 490 HA THR 70 HA THR 70 -4.111 -14.641 -4.545 491 HB THR 70 HB THR 70 -6.468 -14.748 -3.710 492 HG1 THR 70 1HG THR 70 -7.096 -12.605 -3.831 493 HG21 THR 70 1HG2 THR 70 -4.884 -15.535 -2.179 494 HG22 THR 70 2HG2 THR 70 -5.799 -14.345 -1.254 495 HG23 THR 70 3HG2 THR 70 -4.214 -13.928 -1.904 496 H VAL 71 H VAL 71 -5.246 -11.534 -5.564 497 HA VAL 71 HA VAL 71 -6.721 -12.763 -7.795 498 HB VAL 71 HB VAL 71 -6.857 -9.924 -6.768 499 HG11 VAL 71 1HG1 VAL 71 -8.907 -11.019 -8.597 500 HG12 VAL 71 2HG1 VAL 71 -8.248 -9.386 -8.474 501 HG13 VAL 71 3HG1 VAL 71 -7.332 -10.649 -9.299 502 HG21 VAL 71 1HG2 VAL 71 -8.674 -12.296 -6.420 503 HG22 VAL 71 2HG2 VAL 71 -7.908 -11.317 -5.170 504 HG23 VAL 71 3HG2 VAL 71 -9.205 -10.636 -6.151 505 H ASN 72 H ASN 72 -4.206 -10.438 -6.974 506 HA ASN 72 HA ASN 72 -3.699 -9.745 -9.727 507 HB2 ASN 72 1HB ASN 72 -2.601 -8.953 -7.077 508 HB3 ASN 72 2HB ASN 72 -1.551 -8.752 -8.477 509 HD21 ASN 72 1HD2 ASN 72 -4.778 -7.999 -7.259 510 HD22 ASN 72 2HD2 ASN 72 -4.937 -6.497 -8.099 511 H GLN 73 H GLN 73 -2.825 -11.241 -11.009 512 HA GLN 73 HA GLN 73 -0.703 -12.964 -9.928 513 HB2 GLN 73 1HB GLN 73 -2.445 -13.298 -12.375 514 HB3 GLN 73 2HB GLN 73 -1.151 -14.396 -11.915 515 HG2 GLN 73 1HG GLN 73 -3.309 -13.809 -9.953 516 HG3 GLN 73 2HG GLN 73 -3.639 -14.905 -11.293 517 HE21 GLN 73 1HE2 GLN 73 -3.308 -15.236 -8.307 518 HE22 GLN 73 2HE2 GLN 73 -2.185 -16.540 -8.150 519 H VAL 74 H VAL 74 -1.504 -10.752 -12.545 520 HA VAL 74 HA VAL 74 0.753 -11.062 -14.144 521 HB VAL 74 HB VAL 74 -0.752 -8.496 -13.613 522 HG11 VAL 74 1HG1 VAL 74 0.782 -7.572 -14.935 523 HG12 VAL 74 2HG1 VAL 74 1.504 -9.140 -15.302 524 HG13 VAL 74 3HG1 VAL 74 0.134 -8.556 -16.248 525 HG21 VAL 74 1HG2 VAL 74 -1.239 -10.205 -15.998 526 HG22 VAL 74 2HG2 VAL 74 -1.948 -10.693 -14.459 527 HG23 VAL 74 3HG2 VAL 74 -2.334 -9.116 -15.146 528 H LEU 75 H LEU 75 0.256 -9.024 -11.292 529 HA LEU 75 HA LEU 75 2.911 -7.911 -11.437 530 HB2 LEU 75 1HB LEU 75 0.951 -7.795 -9.153 531 HB3 LEU 75 2HB LEU 75 2.347 -6.750 -9.409 532 HG LEU 75 HG LEU 75 -0.121 -6.823 -11.144 533 HD11 LEU 75 1HD1 LEU 75 0.757 -4.654 -9.254 534 HD12 LEU 75 2HD1 LEU 75 -0.409 -5.904 -8.818 535 HD13 LEU 75 3HD1 LEU 75 -0.768 -4.783 -10.132 536 HD21 LEU 75 1HD2 LEU 75 2.069 -6.208 -12.239 537 HD22 LEU 75 2HD2 LEU 75 2.120 -4.815 -11.159 538 HD23 LEU 75 3HD2 LEU 75 0.800 -4.986 -12.317 539 H ALA 76 H ALA 76 1.222 -9.951 -9.044 540 HA ALA 76 HA ALA 76 3.221 -10.573 -7.333 541 HB1 ALA 76 1HB ALA 76 0.961 -12.205 -8.401 542 HB2 ALA 76 2HB ALA 76 2.136 -12.947 -7.314 543 HB3 ALA 76 3HB ALA 76 1.208 -11.545 -6.784 544 H SER 77 H SER 77 2.723 -12.010 -10.529 545 HA SER 77 HA SER 77 4.923 -13.829 -10.286 546 HB2 SER 77 1HB SER 77 2.974 -13.081 -12.399 547 HB3 SER 77 2HB SER 77 4.508 -13.761 -12.943 548 HG SER 77 HG SER 77 3.782 -15.633 -12.367 549 H ARG 78 H ARG 78 4.401 -10.725 -11.916 550 HA ARG 78 HA ARG 78 6.720 -10.436 -13.331 551 HB2 ARG 78 1HB ARG 78 4.808 -8.795 -13.166 552 HB3 ARG 78 2HB ARG 78 5.520 -8.224 -11.663 553 HG2 ARG 78 1HG ARG 78 7.586 -7.664 -12.913 554 HG3 ARG 78 2HG ARG 78 6.758 -8.117 -14.404 555 HD2 ARG 78 1HD ARG 78 4.953 -6.426 -13.584 556 HD3 ARG 78 2HD ARG 78 6.262 -5.799 -12.584 557 HE ARG 78 HE ARG 78 5.918 -5.398 -15.369 558 HH11 ARG 78 2HH1 ARG 78 8.359 -5.900 -12.938 559 HH12 ARG 78 1HH1 ARG 78 9.594 -5.064 -13.820 560 HH21 ARG 78 2HH2 ARG 78 7.536 -4.295 -16.539 561 HH22 ARG 78 1HH2 ARG 78 9.124 -4.150 -15.867 562 H TYR 79 H TYR 79 6.269 -9.493 -9.922 563 HA TYR 79 HA TYR 79 9.171 -9.283 -9.625 564 HB2 TYR 79 1HB TYR 79 7.214 -8.676 -7.435 565 HB3 TYR 79 2HB TYR 79 8.799 -7.972 -7.735 566 HD1 TYR 79 2HD TYR 79 5.255 -7.923 -8.701 567 HD2 TYR 79 1HD TYR 79 9.071 -6.128 -9.264 568 HE1 TYR 79 2HE TYR 79 4.187 -6.026 -9.845 569 HE2 TYR 79 1HE TYR 79 8.014 -4.225 -10.408 570 HH TYR 79 HH TYR 79 5.954 -3.151 -10.676 571 H GLY 80 H GLY 80 6.540 -11.363 -8.876 572 HA2 GLY 80 1HA GLY 80 6.631 -13.529 -8.051 573 HA3 GLY 80 2HA GLY 80 8.343 -13.301 -7.727 574 H ILE 81 H ILE 81 5.108 -12.490 -6.536 575 HA ILE 81 HA ILE 81 6.240 -12.049 -3.864 576 HB ILE 81 HB ILE 81 3.382 -11.540 -4.648 577 HG12 ILE 81 1HG1 ILE 81 5.235 -10.351 -6.078 578 HG13 ILE 81 2HG1 ILE 81 3.867 -9.428 -5.465 579 HG21 ILE 81 1HG2 ILE 81 5.139 -10.331 -2.516 580 HG22 ILE 81 2HG2 ILE 81 3.428 -9.996 -2.777 581 HG23 ILE 81 3HG2 ILE 81 3.943 -11.600 -2.256 582 HD11 ILE 81 1HD1 ILE 81 6.616 -9.550 -4.250 583 HD12 ILE 81 2HD1 ILE 81 5.926 -8.206 -5.161 584 HD13 ILE 81 3HD1 ILE 81 5.245 -8.653 -3.597 585 H ARG 82 H ARG 82 6.419 -13.932 -2.806 586 HA ARG 82 HA ARG 82 4.025 -15.641 -2.664 587 HB2 ARG 82 1HB ARG 82 6.858 -16.364 -3.205 588 HB3 ARG 82 2HB ARG 82 5.933 -17.450 -2.177 589 HG2 ARG 82 1HG ARG 82 4.712 -16.582 -4.738 590 HG3 ARG 82 2HG ARG 82 6.032 -17.752 -4.794 591 HD2 ARG 82 1HD ARG 82 4.787 -19.156 -3.172 592 HD3 ARG 82 2HD ARG 82 3.446 -18.015 -3.266 593 HE ARG 82 HE ARG 82 3.836 -18.694 -5.847 594 HH11 ARG 82 2HH1 ARG 82 3.427 -20.562 -2.938 595 HH12 ARG 82 1HH1 ARG 82 2.676 -21.898 -3.746 596 HH21 ARG 82 2HH2 ARG 82 2.848 -20.447 -6.922 597 HH22 ARG 82 1HH2 ARG 82 2.348 -21.832 -6.012 598 H GLY 83 H GLY 83 5.107 -13.445 -0.936 599 HA2 GLY 83 1HA GLY 83 4.795 -14.859 1.578 600 HA3 GLY 83 2HA GLY 83 6.356 -14.084 1.352 601 H PHE 84 H PHE 84 2.941 -13.587 1.838 602 HA PHE 84 HA PHE 84 3.281 -10.692 1.955 603 HB2 PHE 84 1HB PHE 84 0.680 -11.950 2.647 604 HB3 PHE 84 2HB PHE 84 1.015 -10.510 1.692 605 HD1 PHE 84 2HD PHE 84 2.557 -11.241 -0.503 606 HD2 PHE 84 1HD PHE 84 -0.412 -13.569 1.466 607 HE1 PHE 84 2HE PHE 84 2.202 -12.530 -2.569 608 HE2 PHE 84 1HE PHE 84 -0.771 -14.863 -0.596 609 HZ PHE 84 HZ PHE 84 0.536 -14.343 -2.618 610 HA PRO 85 HA PRO 85 1.736 -9.111 2.893 611 HB2 PRO 85 1HB PRO 85 2.713 -6.995 4.286 612 HB3 PRO 85 2HB PRO 85 1.189 -7.793 4.694 613 HG2 PRO 85 1HG PRO 85 3.894 -8.132 5.930 614 HG3 PRO 85 2HG PRO 85 2.311 -8.004 6.720 615 HD2 PRO 85 1HD PRO 85 3.561 -10.375 6.338 616 HD3 PRO 85 2HD PRO 85 1.793 -10.214 6.321 617 H THR 86 H THR 86 2.820 -7.494 1.582 618 HA THR 86 HA THR 86 5.746 -7.666 1.538 619 HB THR 86 HB THR 86 3.945 -8.210 -0.824 620 HG1 THR 86 1HG THR 86 5.510 -9.728 0.855 621 HG21 THR 86 1HG2 THR 86 5.542 -6.924 -1.865 622 HG22 THR 86 2HG2 THR 86 6.324 -8.504 -1.919 623 HG23 THR 86 3HG2 THR 86 6.791 -7.330 -0.688 624 H ILE 87 H ILE 87 6.247 -5.598 1.958 625 HA ILE 87 HA ILE 87 4.739 -3.451 0.672 626 HB ILE 87 HB ILE 87 6.902 -3.313 2.776 627 HG12 ILE 87 1HG1 ILE 87 4.013 -2.627 3.200 628 HG13 ILE 87 2HG1 ILE 87 4.534 -4.306 3.282 629 HG21 ILE 87 1HG2 ILE 87 6.795 -1.054 2.739 630 HG22 ILE 87 2HG2 ILE 87 6.323 -1.336 1.064 631 HG23 ILE 87 3HG2 ILE 87 5.090 -1.032 2.288 632 HD11 ILE 87 1HD1 ILE 87 6.356 -2.972 4.868 633 HD12 ILE 87 2HD1 ILE 87 4.819 -2.181 5.217 634 HD13 ILE 87 3HD1 ILE 87 4.979 -3.925 5.418 635 H LYS 88 H LYS 88 5.417 -2.631 -1.183 636 HA LYS 88 HA LYS 88 8.311 -2.549 -1.721 637 HB2 LYS 88 1HB LYS 88 6.132 -3.164 -3.726 638 HB3 LYS 88 2HB LYS 88 7.844 -3.000 -4.093 639 HG2 LYS 88 1HG LYS 88 7.067 -4.987 -2.035 640 HG3 LYS 88 2HG LYS 88 6.695 -5.355 -3.721 641 HD2 LYS 88 1HD LYS 88 9.212 -4.566 -4.044 642 HD3 LYS 88 2HD LYS 88 9.323 -5.089 -2.362 643 HE2 LYS 88 1HE LYS 88 8.961 -7.283 -2.877 644 HE3 LYS 88 2HE LYS 88 7.971 -6.902 -4.285 645 HZ1 LYS 88 1HZ LYS 88 10.827 -7.297 -4.091 646 HZ2 LYS 88 2HZ LYS 88 10.370 -5.969 -5.033 647 HZ3 LYS 88 3HZ LYS 88 9.791 -7.513 -5.411 648 H ILE 89 H ILE 89 9.073 -0.759 -2.855 649 HA ILE 89 HA ILE 89 7.155 1.467 -3.073 650 HB ILE 89 HB ILE 89 10.124 1.591 -2.529 651 HG12 ILE 89 1HG1 ILE 89 9.055 2.770 -0.403 652 HG13 ILE 89 2HG1 ILE 89 7.684 1.746 -0.816 653 HG21 ILE 89 1HG2 ILE 89 8.743 3.461 -3.870 654 HG22 ILE 89 2HG2 ILE 89 8.419 3.979 -2.217 655 HG23 ILE 89 3HG2 ILE 89 10.082 3.836 -2.786 656 HD11 ILE 89 1HD1 ILE 89 9.865 1.046 0.719 657 HD12 ILE 89 2HD1 ILE 89 8.671 -0.051 0.026 658 HD13 ILE 89 3HD1 ILE 89 10.174 0.276 -0.837 659 H PHE 90 H PHE 90 7.025 2.603 -4.938 660 HA PHE 90 HA PHE 90 8.874 1.856 -7.107 661 HB2 PHE 90 1HB PHE 90 5.893 2.331 -7.252 662 HB3 PHE 90 2HB PHE 90 6.934 2.215 -8.668 663 HD1 PHE 90 1HD PHE 90 5.633 0.358 -5.756 664 HD2 PHE 90 2HD PHE 90 7.627 0.125 -9.509 665 HE1 PHE 90 1HE PHE 90 5.377 -2.089 -5.736 666 HE2 PHE 90 2HE PHE 90 7.373 -2.322 -9.496 667 HZ PHE 90 HZ PHE 90 6.246 -3.432 -7.609 668 H GLN 91 H GLN 91 10.020 3.511 -7.834 669 HA GLN 91 HA GLN 91 8.891 6.221 -7.584 670 HB2 GLN 91 1HB GLN 91 11.757 5.299 -7.354 671 HB3 GLN 91 2HB GLN 91 11.288 6.989 -7.488 672 HG2 GLN 91 1HG GLN 91 10.040 6.836 -5.417 673 HG3 GLN 91 2HG GLN 91 10.424 5.120 -5.293 674 HE21 GLN 91 1HE2 GLN 91 11.701 4.981 -3.573 675 HE22 GLN 91 2HE2 GLN 91 13.151 5.888 -3.326 676 H LYS 92 H LYS 92 8.505 7.219 -9.438 677 HA LYS 92 HA LYS 92 8.823 6.195 -11.949 678 HB2 LYS 92 1HB LYS 92 7.539 8.283 -11.203 679 HB3 LYS 92 2HB LYS 92 9.052 9.152 -11.419 680 HG2 LYS 92 1HG LYS 92 7.847 9.468 -13.407 681 HG3 LYS 92 2HG LYS 92 9.073 8.256 -13.786 682 HD2 LYS 92 1HD LYS 92 7.539 6.565 -13.973 683 HD3 LYS 92 2HD LYS 92 6.406 7.323 -12.851 684 HE2 LYS 92 1HE LYS 92 5.365 7.528 -14.929 685 HE3 LYS 92 2HE LYS 92 6.104 9.107 -14.666 686 HZ1 LYS 92 1HZ LYS 92 7.858 7.286 -16.005 687 HZ2 LYS 92 2HZ LYS 92 7.397 8.854 -16.440 688 HZ3 LYS 92 3HZ LYS 92 6.424 7.537 -16.868 689 H GLY 93 H GLY 93 10.385 6.103 -13.484 690 HA2 GLY 93 1HA GLY 93 12.410 6.573 -14.541 691 HA3 GLY 93 2HA GLY 93 12.817 7.661 -13.223 692 H GLU 94 H GLU 94 12.579 5.965 -11.046 693 HA GLU 94 HA GLU 94 14.917 4.261 -11.467 694 HB2 GLU 94 1HB GLU 94 13.589 5.247 -8.938 695 HB3 GLU 94 2HB GLU 94 14.991 4.187 -8.971 696 HG2 GLU 94 1HG GLU 94 15.041 6.827 -10.371 697 HG3 GLU 94 2HG GLU 94 15.336 6.715 -8.637 698 H SER 95 H SER 95 14.990 2.145 -10.389 699 HA SER 95 HA SER 95 12.609 0.642 -10.991 700 HB2 SER 95 1HB SER 95 15.426 -0.004 -10.263 701 HB3 SER 95 2HB SER 95 14.200 -1.233 -9.953 702 HG SER 95 HG SER 95 14.149 0.011 -12.441 703 HA PRO 96 HA PRO 96 10.842 0.252 -6.996 704 HB2 PRO 96 1HB PRO 96 10.031 -2.339 -6.971 705 HB3 PRO 96 2HB PRO 96 9.238 -1.093 -7.943 706 HG2 PRO 96 1HG PRO 96 11.259 -3.141 -8.771 707 HG3 PRO 96 2HG PRO 96 9.786 -2.620 -9.609 708 HD2 PRO 96 1HD PRO 96 12.248 -1.727 -10.298 709 HD3 PRO 96 2HD PRO 96 10.789 -0.728 -10.461 710 H VAL 97 H VAL 97 11.115 -0.611 -4.891 711 HA VAL 97 HA VAL 97 13.573 -2.199 -4.528 712 HB VAL 97 HB VAL 97 13.631 -0.968 -2.236 713 HG11 VAL 97 1HG1 VAL 97 14.797 1.020 -3.451 714 HG12 VAL 97 2HG1 VAL 97 15.457 -0.609 -3.602 715 HG13 VAL 97 3HG1 VAL 97 14.482 0.072 -4.904 716 HG21 VAL 97 1HG2 VAL 97 11.348 0.185 -3.193 717 HG22 VAL 97 2HG2 VAL 97 12.358 0.850 -1.909 718 HG23 VAL 97 3HG2 VAL 97 12.562 1.407 -3.570 719 H ASP 98 H ASP 98 13.608 -3.043 -2.126 720 HA ASP 98 HA ASP 98 10.974 -4.255 -1.598 721 HB2 ASP 98 1HB ASP 98 13.746 -5.406 -1.468 722 HB3 ASP 98 2HB ASP 98 12.443 -6.103 -0.511 723 H TYR 99 H TYR 99 10.125 -3.199 0.083 724 HA TYR 99 HA TYR 99 11.725 -2.040 2.158 725 HB2 TYR 99 1HB TYR 99 9.644 -0.973 1.509 726 HB3 TYR 99 2HB TYR 99 8.734 -2.422 1.920 727 HD1 TYR 99 1HD TYR 99 10.520 0.489 3.253 728 HD2 TYR 99 2HD TYR 99 8.252 -2.976 4.229 729 HE1 TYR 99 1HE TYR 99 10.216 1.340 5.540 730 HE2 TYR 99 2HE TYR 99 7.941 -2.134 6.519 731 HH TYR 99 HH TYR 99 8.122 -0.294 7.845 732 H ASP 100 H ASP 100 12.143 -2.777 4.174 733 HA ASP 100 HA ASP 100 10.935 -5.326 5.000 734 HB2 ASP 100 1HB ASP 100 13.836 -4.664 4.713 735 HB3 ASP 100 2HB ASP 100 13.339 -5.737 6.018 736 H GLY 101 H GLY 101 9.685 -3.509 6.137 737 HA2 GLY 101 1HA GLY 101 11.090 -2.442 8.469 738 HA3 GLY 101 2HA GLY 101 9.471 -2.006 7.942 739 H GLY 102 H GLY 102 8.660 -2.277 10.055 740 HA2 GLY 102 1HA GLY 102 8.635 -5.060 11.031 741 HA3 GLY 102 2HA GLY 102 8.398 -3.641 12.040 742 H ARG 103 H ARG 103 6.862 -3.881 8.929 743 HA ARG 103 HA ARG 103 4.655 -3.796 8.353 744 HB2 ARG 103 1HB ARG 103 5.073 -6.237 8.970 745 HB3 ARG 103 2HB ARG 103 4.268 -5.883 10.493 746 HG2 ARG 103 1HG ARG 103 2.263 -5.188 9.232 747 HG3 ARG 103 2HG ARG 103 3.076 -5.660 7.738 748 HD2 ARG 103 1HD ARG 103 1.574 -7.418 8.519 749 HD3 ARG 103 2HD ARG 103 3.253 -7.953 8.550 750 HE ARG 103 HE ARG 103 1.512 -7.530 10.823 751 HH11 ARG 103 2HH1 ARG 103 4.771 -7.970 9.682 752 HH12 ARG 103 1HH1 ARG 103 5.375 -8.503 11.216 753 HH21 ARG 103 2HH2 ARG 103 2.295 -8.230 12.848 754 HH22 ARG 103 1HH2 ARG 103 3.966 -8.652 13.016 755 H THR 104 H THR 104 5.393 -1.858 10.263 756 HA THR 104 HA THR 104 2.821 -1.507 11.640 757 HB THR 104 HB THR 104 4.315 -0.249 13.418 758 HG1 THR 104 1HG THR 104 6.217 -1.057 12.007 759 HG21 THR 104 1HG2 THR 104 3.052 -2.754 13.280 760 HG22 THR 104 2HG2 THR 104 3.506 -1.859 14.730 761 HG23 THR 104 3HG2 THR 104 4.617 -3.040 14.039 762 H ARG 105 H ARG 105 1.930 0.459 11.399 763 HA ARG 105 HA ARG 105 2.616 2.237 9.469 764 HB2 ARG 105 1HB ARG 105 1.058 3.718 10.368 765 HB3 ARG 105 2HB ARG 105 0.536 2.165 11.006 766 HG2 ARG 105 1HG ARG 105 1.948 2.765 13.065 767 HG3 ARG 105 2HG ARG 105 1.918 4.408 12.423 768 HD2 ARG 105 1HD ARG 105 -0.503 4.413 12.466 769 HD3 ARG 105 2HD ARG 105 -0.522 2.733 12.999 770 HE ARG 105 HE ARG 105 0.938 4.462 14.760 771 HH11 ARG 105 2HH1 ARG 105 -2.220 3.261 13.923 772 HH12 ARG 105 1HH1 ARG 105 -2.887 3.538 15.498 773 HH21 ARG 105 2HH2 ARG 105 0.072 4.833 16.838 774 HH22 ARG 105 1HH2 ARG 105 -1.582 4.434 17.155 775 H SER 106 H SER 106 3.834 2.157 12.770 776 HA SER 106 HA SER 106 5.120 4.624 12.858 777 HB2 SER 106 1HB SER 106 5.717 1.986 14.189 778 HB3 SER 106 2HB SER 106 6.700 3.419 14.490 779 HG SER 106 HG SER 106 4.902 4.457 15.303 780 H ASP 107 H ASP 107 6.308 1.494 11.689 781 HA ASP 107 HA ASP 107 8.856 2.600 10.909 782 HB2 ASP 107 1HB ASP 107 7.639 -0.108 10.324 783 HB3 ASP 107 2HB ASP 107 9.314 0.349 10.028 784 H ILE 108 H ILE 108 6.040 1.255 9.195 785 HA ILE 108 HA ILE 108 6.844 1.569 6.594 786 HB ILE 108 HB ILE 108 4.081 2.085 7.701 787 HG12 ILE 108 1HG1 ILE 108 4.918 -0.419 6.294 788 HG13 ILE 108 2HG1 ILE 108 5.367 -0.204 7.983 789 HG21 ILE 108 1HG2 ILE 108 4.572 2.984 5.384 790 HG22 ILE 108 2HG2 ILE 108 4.777 1.307 4.883 791 HG23 ILE 108 3HG2 ILE 108 3.225 1.854 5.515 792 HD11 ILE 108 1HD1 ILE 108 2.589 0.420 7.577 793 HD12 ILE 108 2HD1 ILE 108 2.972 -1.198 6.987 794 HD13 ILE 108 3HD1 ILE 108 3.335 -0.758 8.656 795 H VAL 109 H VAL 109 5.373 4.025 8.691 796 HA VAL 109 HA VAL 109 5.411 6.069 6.694 797 HB VAL 109 HB VAL 109 5.084 6.232 9.691 798 HG11 VAL 109 1HG1 VAL 109 4.458 8.513 9.451 799 HG12 VAL 109 2HG1 VAL 109 6.007 8.317 8.630 800 HG13 VAL 109 3HG1 VAL 109 4.516 8.410 7.692 801 HG21 VAL 109 1HG2 VAL 109 3.316 5.569 7.517 802 HG22 VAL 109 2HG2 VAL 109 3.026 5.507 9.255 803 HG23 VAL 109 3HG2 VAL 109 2.748 7.005 8.368 804 H SER 110 H SER 110 7.436 5.323 9.514 805 HA SER 110 HA SER 110 9.146 7.487 9.460 806 HB2 SER 110 1HB SER 110 9.145 5.723 11.210 807 HB3 SER 110 2HB SER 110 9.924 4.624 10.071 808 HG SER 110 HG SER 110 11.693 5.458 10.841 809 H ARG 111 H ARG 111 8.844 4.945 7.181 810 HA ARG 111 HA ARG 111 11.467 5.454 6.007 811 HB2 ARG 111 1HB ARG 111 11.122 3.186 5.897 812 HB3 ARG 111 2HB ARG 111 9.382 3.351 5.703 813 HG2 ARG 111 1HG ARG 111 10.509 2.456 3.702 814 HG3 ARG 111 2HG ARG 111 9.643 3.962 3.395 815 HD2 ARG 111 1HD ARG 111 11.590 4.491 2.360 816 HD3 ARG 111 2HD ARG 111 12.034 4.977 3.996 817 HE ARG 111 HE ARG 111 12.652 2.236 3.309 818 HH11 ARG 111 2HH1 ARG 111 13.770 5.530 3.449 819 HH12 ARG 111 1HH1 ARG 111 15.448 5.097 3.459 820 HH21 ARG 111 2HH2 ARG 111 14.858 1.654 3.321 821 HH22 ARG 111 1HH2 ARG 111 16.065 2.892 3.385 822 H ALA 112 H ALA 112 8.065 5.410 4.935 823 HA ALA 112 HA ALA 112 8.288 6.385 2.407 824 HB1 ALA 112 1HB ALA 112 6.072 6.458 2.535 825 HB2 ALA 112 2HB ALA 112 6.216 6.080 4.252 826 HB3 ALA 112 3HB ALA 112 6.128 7.761 3.723 827 H LEU 113 H LEU 113 8.789 8.135 5.379 828 HA LEU 113 HA LEU 113 8.619 10.758 4.357 829 HB2 LEU 113 1HB LEU 113 10.148 9.634 6.695 830 HB3 LEU 113 2HB LEU 113 10.004 11.356 6.350 831 HG LEU 113 HG LEU 113 7.720 9.498 7.016 832 HD11 LEU 113 1HD1 LEU 113 9.449 11.281 8.633 833 HD12 LEU 113 2HD1 LEU 113 8.661 9.764 9.065 834 HD13 LEU 113 3HD1 LEU 113 7.725 11.257 9.004 835 HD21 LEU 113 1HD2 LEU 113 6.944 11.232 5.564 836 HD22 LEU 113 2HD2 LEU 113 7.825 12.461 6.473 837 HD23 LEU 113 3HD2 LEU 113 6.450 11.637 7.208 838 H ASP 114 H ASP 114 11.347 8.529 4.734 839 HA ASP 114 HA ASP 114 13.423 10.202 3.986 840 HB2 ASP 114 1HB ASP 114 13.474 7.743 4.792 841 HB3 ASP 114 2HB ASP 114 13.316 7.334 3.086 842 H LEU 115 H LEU 115 11.231 8.322 1.940 843 HA LEU 115 HA LEU 115 12.503 9.117 -0.502 844 HB2 LEU 115 1HB LEU 115 9.708 8.052 -0.245 845 HB3 LEU 115 2HB LEU 115 10.812 7.911 -1.612 846 HG LEU 115 HG LEU 115 11.433 6.593 1.009 847 HD11 LEU 115 1HD1 LEU 115 9.099 6.058 -0.268 848 HD12 LEU 115 2HD1 LEU 115 10.004 4.893 0.698 849 HD13 LEU 115 3HD1 LEU 115 10.193 4.920 -1.055 850 HD21 LEU 115 1HD2 LEU 115 12.675 6.787 -1.539 851 HD22 LEU 115 2HD2 LEU 115 12.175 5.114 -1.294 852 HD23 LEU 115 3HD2 LEU 115 13.218 5.905 -0.111 853 H PHE 116 H PHE 116 9.625 10.122 1.289 854 HA PHE 116 HA PHE 116 8.290 11.744 -0.378 855 HB2 PHE 116 1HB PHE 116 7.586 11.600 1.898 856 HB3 PHE 116 2HB PHE 116 9.094 12.303 2.477 857 HD1 PHE 116 2HD PHE 116 6.671 13.343 -0.161 858 HD2 PHE 116 1HD PHE 116 8.658 14.323 3.473 859 HE1 PHE 116 2HE PHE 116 5.640 15.577 -0.204 860 HE2 PHE 116 1HE PHE 116 7.629 16.558 3.437 861 HZ PHE 116 HZ PHE 116 6.119 17.188 1.596 862 H SER 117 H SER 117 11.118 12.875 1.480 863 HA SER 117 HA SER 117 11.329 15.395 0.333 864 HB2 SER 117 1HB SER 117 12.598 14.587 2.335 865 HB3 SER 117 2HB SER 117 13.645 13.674 1.248 866 HG SER 117 HG SER 117 13.309 16.486 1.378 867 H ASP 118 H ASP 118 13.120 12.449 -0.579 868 HA ASP 118 HA ASP 118 14.619 13.288 -2.655 869 HB2 ASP 118 1HB ASP 118 13.005 10.765 -2.357 870 HB3 ASP 118 2HB ASP 118 14.030 11.033 -3.765 871 H ASN 119 H ASN 119 11.151 12.563 -2.831 872 HA ASN 119 HA ASN 119 11.050 13.497 -5.588 873 HB2 ASN 119 1HB ASN 119 8.947 12.312 -3.768 874 HB3 ASN 119 2HB ASN 119 8.626 12.847 -5.414 875 HD21 ASN 119 1HD2 ASN 119 10.066 10.436 -3.417 876 HD22 ASN 119 2HD2 ASN 119 10.446 9.315 -4.676 877 H ALA 120 H ALA 120 8.817 14.101 -2.890 878 HA ALA 120 HA ALA 120 7.882 16.548 -3.788 879 HB1 ALA 120 1HB ALA 120 7.542 16.886 -1.170 880 HB2 ALA 120 2HB ALA 120 6.559 15.768 -2.116 881 HB3 ALA 120 3HB ALA 120 7.920 15.164 -1.170 882 HA PRO 121 HA PRO 121 11.032 19.518 -3.056 883 HB2 PRO 121 1HB PRO 121 9.555 21.698 -2.396 884 HB3 PRO 121 2HB PRO 121 9.641 21.058 -4.041 885 HG2 PRO 121 1HG PRO 121 7.521 20.666 -1.964 886 HG3 PRO 121 2HG PRO 121 7.342 20.990 -3.699 887 HD2 PRO 121 1HD PRO 121 7.081 18.509 -2.645 888 HD3 PRO 121 2HD PRO 121 7.722 18.791 -4.277 889 HA PRO 122 HA PRO 122 11.750 19.242 1.332 890 HB2 PRO 122 1HB PRO 122 14.160 20.492 1.316 891 HB3 PRO 122 2HB PRO 122 13.942 18.819 0.787 892 HG2 PRO 122 1HG PRO 122 14.151 21.313 -0.855 893 HG3 PRO 122 2HG PRO 122 14.898 19.729 -1.127 894 HD2 PRO 122 1HD PRO 122 12.675 20.536 -2.445 895 HD3 PRO 122 2HD PRO 122 12.975 18.836 -2.030 896 HA PRO 123 HA PRO 123 10.645 23.125 3.075 897 HB2 PRO 123 1HB PRO 123 12.097 23.177 5.369 898 HB3 PRO 123 2HB PRO 123 10.704 22.114 5.137 899 HG2 PRO 123 1HG PRO 123 13.623 21.493 4.895 900 HG3 PRO 123 2HG PRO 123 12.335 20.539 5.655 901 HD2 PRO 123 1HD PRO 123 13.286 19.992 3.180 902 HD3 PRO 123 2HD PRO 123 11.597 19.697 3.641 903 H GLU 124 H GLU 124 12.037 24.911 4.591 904 HA GLU 124 HA GLU 124 13.202 26.649 2.905 905 HB2 GLU 124 1HB GLU 124 12.773 26.861 5.439 906 HB3 GLU 124 2HB GLU 124 14.410 26.250 5.630 907 HG2 GLU 124 1HG GLU 124 14.586 28.584 5.737 908 HG3 GLU 124 2HG GLU 124 15.154 28.139 4.129 909 H LEU 125 H LEU 125 15.373 27.258 2.369 910 HA LEU 125 HA LEU 125 17.030 24.954 1.786 911 HB2 LEU 125 1HB LEU 125 16.470 27.059 0.301 912 HB3 LEU 125 2HB LEU 125 17.860 27.740 1.142 913 HG LEU 125 HG LEU 125 18.166 25.089 -0.178 914 HD11 LEU 125 1HD1 LEU 125 17.362 25.957 -2.097 915 HD12 LEU 125 2HD1 LEU 125 18.952 26.717 -2.167 916 HD13 LEU 125 3HD1 LEU 125 17.567 27.624 -1.558 917 HD21 LEU 125 1HD2 LEU 125 19.828 27.198 0.916 918 HD22 LEU 125 2HD2 LEU 125 20.320 26.742 -0.716 919 HD23 LEU 125 3HD2 LEU 125 20.226 25.519 0.552 920 H LEU 126 H LEU 126 16.688 26.278 4.543 921 HA LEU 126 HA LEU 126 19.506 26.874 5.104 922 HB2 LEU 126 1HB LEU 126 16.926 27.567 6.397 923 HB3 LEU 126 2HB LEU 126 18.340 27.392 7.435 924 HG LEU 126 HG LEU 126 19.480 29.094 5.949 925 HD11 LEU 126 1HD1 LEU 126 17.947 28.866 4.038 926 HD12 LEU 126 2HD1 LEU 126 18.079 30.532 4.602 927 HD13 LEU 126 3HD1 LEU 126 16.656 29.573 5.010 928 HD21 LEU 126 1HD2 LEU 126 19.005 30.368 7.701 929 HD22 LEU 126 2HD2 LEU 126 17.559 29.417 8.045 930 HD23 LEU 126 3HD2 LEU 126 17.470 30.792 6.942 931 H GLU 127 H GLU 127 18.944 24.220 4.564 932 HA GLU 127 HA GLU 127 19.826 22.989 7.009 933 HB2 GLU 127 1HB GLU 127 17.416 22.927 7.373 934 HB3 GLU 127 2HB GLU 127 17.177 22.178 5.801 935 HG2 GLU 127 1HG GLU 127 17.008 20.433 7.345 936 HG3 GLU 127 2HG GLU 127 18.618 20.274 6.646 937 H SER 128 H SER 128 20.740 20.929 6.691 938 HA SER 128 HA SER 128 22.092 20.504 4.333 939 HB2 SER 128 1HB SER 128 21.300 18.590 6.525 940 HB3 SER 128 2HB SER 128 22.297 18.085 5.161 941 HG SER 128 HG SER 128 23.354 18.914 7.189 942 H GLY 129 H GLY 129 21.300 20.179 2.365 943 HA2 GLY 129 1HA GLY 129 20.127 18.039 1.314 944 HA3 GLY 129 2HA GLY 129 18.733 18.841 2.022 945 HA PRO 130 HA PRO 130 20.417 21.801 -1.424 946 HB2 PRO 130 1HB PRO 130 22.295 20.761 -3.085 947 HB3 PRO 130 2HB PRO 130 22.701 21.635 -1.604 948 HG2 PRO 130 1HG PRO 130 22.581 18.684 -2.089 949 HG3 PRO 130 2HG PRO 130 23.794 19.623 -1.199 950 HD2 PRO 130 1HD PRO 130 21.823 18.241 0.042 951 HD3 PRO 130 2HD PRO 130 22.487 19.753 0.695 952 H SER 131 H SER 131 19.260 18.721 -1.525 953 HA SER 131 HA SER 131 17.861 17.593 -2.920 954 HB2 SER 131 1HB SER 131 17.719 20.291 -4.282 955 HB3 SER 131 2HB SER 131 16.694 18.918 -4.701 956 HG SER 131 HG SER 131 16.248 20.695 -2.845 957 H SER 132 H SER 132 20.501 17.125 -3.334 958 HA SER 132 HA SER 132 20.526 16.380 -6.129 959 HB2 SER 132 1HB SER 132 21.562 18.720 -5.933 960 HB3 SER 132 2HB SER 132 22.896 17.931 -5.092 961 HG SER 132 HG SER 132 23.553 17.077 -6.916 962 H GLY 133 H GLY 133 22.793 15.253 -6.567 963 HA2 GLY 133 1HA GLY 133 24.525 13.867 -5.689 964 HA3 GLY 133 2HA GLY 133 23.642 13.778 -4.173
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